#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8j s PRO 8 N 0.00 3.76 -0.32 1.96 0.04 -1.26 -4.89 135.00 134.29 1x8j s PRO 8 Ca 0.00 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 1x8j s PRO 8 Cb 0.00 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1x8j s PRO 8 CO 0.00 -0.10 1.51 0.12 0.04 0.00 0.00 177.00 178.57 1x8j s PHE 9 N -2.47 2.27 -1.40 0.56 5.36 -1.26 -4.89 117.98 116.14 1x8j s PHE 9 Ca 0.52 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 1x8j s PHE 9 Cb -0.10 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 1x8j s PHE 9 CO 0.34 -2.37 0.71 -0.35 -1.46 0.00 0.00 175.22 172.09 1x8j n PRO 10 N 7.86 1.01 -4.86 10.12 -0.04 -1.26 -4.88 135.00 142.95 1x8j n PRO 10 Ca 0.18 -0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 1x8j n PRO 10 Cb 0.47 -1.30 -0.15 0.00 -0.04 0.00 0.00 33.50 32.48 1x8j n PRO 10 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1x8j s TYR 11 N -1.41 2.25 0.15 0.54 4.12 -1.26 -5.03 117.35 116.71 1x8j s TYR 11 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 57.07 56.73 1x8j s TYR 11 Cb 0.00 -1.34 -0.04 0.00 -1.52 0.00 0.00 41.96 39.06 1x8j s TYR 11 CO 0.00 0.12 0.12 -1.21 0.02 0.00 0.00 175.55 174.60 1x8j s GLU 12 N -1.24 2.86 0.38 -0.62 0.41 -1.26 -4.90 118.70 114.32 1x8j s GLU 12 Ca 0.11 -0.86 0.08 0.00 -0.41 0.00 0.00 54.97 53.88 1x8j s GLU 12 Cb -0.10 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.57 1x8j s GLU 12 CO 0.02 0.49 0.19 -0.59 -0.49 0.00 0.00 175.26 174.88 1x8j s PHE 13 N -1.70 2.66 -0.08 1.61 -0.12 -1.26 -2.25 117.98 116.84 1x8j s PHE 13 Ca 0.30 -0.48 -0.11 0.00 -0.05 0.00 0.00 56.93 56.59 1x8j s PHE 13 Cb -0.10 -1.85 0.02 0.00 -0.63 0.00 0.00 43.02 40.46 1x8j s PHE 13 CO 0.23 0.21 0.28 0.50 -0.05 0.00 0.00 175.22 176.38 1x8j s ARG 14 N -3.91 0.42 0.72 1.99 3.52 -0.15 -4.97 118.95 116.56 1x8j s ARG 14 Ca 0.41 0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 56.10 1x8j s ARG 14 Cb 0.00 0.19 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 1x8j s ARG 14 CO 0.23 -0.08 1.07 -1.21 -0.81 0.00 0.00 175.30 174.51 1x8j s GLU 15 N -0.30 2.69 0.33 5.12 0.41 -1.26 -0.89 118.70 124.81 1x8j s GLU 15 Ca -0.04 0.91 -0.28 0.00 -0.41 0.00 0.00 54.97 55.15 1x8j s GLU 15 Cb -0.03 -1.97 -0.09 0.00 -1.78 0.00 0.00 34.13 30.26 1x8j s GLU 15 CO 0.01 -1.26 1.13 -0.51 -0.49 0.00 0.00 175.26 174.15 1x8j s LEU 16 N -5.63 4.39 0.87 1.80 1.43 -1.26 -4.80 118.68 115.48 1x8j s LEU 16 Ca 0.59 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.87 1x8j s LEU 16 Cb -0.14 -3.80 0.12 0.00 0.03 0.00 0.00 46.19 42.39 1x8j s LEU 16 CO 0.55 -0.36 1.17 0.54 0.23 0.00 0.00 176.35 178.47 1x8j s ASN 17 N -0.99 3.93 0.22 2.29 2.20 -1.26 -4.68 114.94 116.66 1x8j s ASN 17 Ca 0.50 0.83 -0.10 0.00 -0.94 0.00 0.00 52.86 53.15 1x8j s ASN 17 Cb -0.31 -1.32 0.34 0.00 -2.00 0.00 0.00 41.25 37.95 1x8j s ASN 17 CO 0.40 -2.27 1.66 -0.65 -2.94 0.00 0.00 177.10 173.30 1x8j h PRO 18 N -1.31 0.11 -0.06 3.55 0.11 -1.98 0.76 132.00 133.18 1x8j h PRO 18 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1x8j h PRO 18 Cb 1.33 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1x8j h PRO 18 CO 0.62 0.08 0.02 1.49 -0.21 0.00 0.00 178.00 180.00 1x8j h GLU 19 N 0.12 0.10 -0.78 1.05 4.81 -2.00 -1.69 114.58 116.18 1x8j h GLU 19 Ca 0.35 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1x8j h GLU 19 Cb 0.58 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1x8j h GLU 19 CO -0.57 0.26 0.51 0.93 -0.73 0.00 0.00 179.01 179.42 1x8j h GLU 20 N -0.09 1.01 -0.07 1.92 5.08 -1.82 -2.35 114.58 118.26 1x8j h GLU 20 Ca 0.02 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1x8j h GLU 20 Cb 0.20 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1x8j h GLU 20 CO -0.00 0.67 -0.24 0.22 -1.00 0.00 0.00 179.01 178.66 1x8j h ASP 21 N 1.04 0.12 -0.12 1.42 3.58 -0.72 -2.21 116.42 119.52 1x8j h ASP 21 Ca 0.29 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 1x8j h ASP 21 Cb -0.10 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 1x8j h ASP 21 CO -0.07 0.37 -0.05 0.50 -2.88 0.00 0.00 179.24 177.10 1x8j h LYS 22 N 0.11 0.26 0.18 0.28 3.64 -0.78 -1.66 116.57 118.60 1x8j h LYS 22 Ca 0.02 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1x8j h LYS 22 Cb 0.49 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1x8j h LYS 22 CO 0.03 0.59 -0.09 1.25 -2.27 0.00 0.00 179.45 178.96 1x8j h LEU 23 N -0.08 -0.20 0.16 5.20 5.85 -1.34 -1.56 115.31 123.34 1x8j h LEU 23 Ca 0.03 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1x8j h LEU 23 Cb 0.50 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1x8j h LEU 23 CO 0.02 -0.05 -0.23 0.58 -0.34 0.00 0.00 178.44 178.42 1x8j h VAL 24 N -0.35 0.50 -0.93 1.05 2.07 -1.46 -2.62 116.25 114.52 1x8j h VAL 24 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1x8j h VAL 24 Cb 0.27 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1x8j h VAL 24 CO 0.04 0.00 0.58 0.11 0.02 0.00 0.00 177.57 178.32 1x8j h LYS 25 N -0.45 0.95 0.00 1.57 1.79 -1.30 0.52 116.57 119.65 1x8j h LYS 25 Ca 0.01 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1x8j h LYS 25 Cb 0.45 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1x8j h LYS 25 CO -0.09 0.63 -0.01 0.00 -1.08 0.00 0.00 179.45 178.89 1x8j h ALA 26 N 1.48 1.21 0.00 3.86 0.00 -0.90 0.18 119.26 125.09 1x8j h ALA 26 Ca 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1x8j h ALA 26 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x8j h ALA 26 CO -0.23 0.02 -1.22 0.09 0.00 0.00 0.00 179.25 177.91 1x8j n ASN 27 N -3.41 4.04 0.00 0.00 5.03 -0.49 -4.79 115.26 115.65 1x8j n ASN 27 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1x8j n ASN 27 Cb 0.11 0.94 0.00 0.00 -1.02 0.00 0.00 39.78 39.81 1x8j n ASN 27 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1x8j n LEU 28 N -1.85 0.72 -0.32 3.41 4.77 0.17 -0.50 117.00 123.40 1x8j n LEU 28 Ca -0.03 -0.72 0.19 0.00 -0.03 0.00 0.00 56.01 55.42 1x8j n LEU 28 Cb 0.32 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.86 1x8j n LEU 28 CO 0.09 0.18 1.21 1.23 -1.33 0.00 0.00 177.39 178.76 1x8j h GLY 29 N 0.00 1.36 2.00 -0.72 0.00 -0.68 -1.07 103.07 103.96 1x8j h GLY 29 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1x8j h GLY 29 CO 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 176.54 176.25 1x8j h ALA 30 N 1.63 1.60 -2.58 3.60 0.00 -1.87 -3.41 119.26 118.23 1x8j h ALA 30 Ca 0.57 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.78 1x8j h ALA 30 Cb 1.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1x8j h ALA 30 CO -0.31 0.23 0.54 0.12 0.00 0.00 0.00 179.25 179.83 1x8j s PHE 31 N -4.53 3.47 0.19 0.00 5.36 -0.41 -4.92 117.98 117.15 1x8j s PHE 31 Ca -0.04 1.41 -0.12 0.00 -0.96 0.00 0.00 56.93 57.22 1x8j s PHE 31 Cb 0.15 -3.39 0.21 0.00 -0.34 0.00 0.00 43.02 39.65 1x8j s PHE 31 CO 0.68 -1.10 1.74 -1.35 -1.46 0.00 0.00 175.22 173.73 1x8j h PRO 32 N 5.95 0.35 -6.77 10.12 0.11 -1.85 -3.44 132.00 136.46 1x8j h PRO 32 Ca -0.43 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 1x8j h PRO 32 Cb 1.21 -0.08 0.05 0.00 0.11 0.00 0.00 31.00 32.29 1x8j h PRO 32 CO 0.77 0.23 0.65 0.99 -0.21 0.00 0.00 178.00 180.44 1x8j s THR 33 N -6.12 2.96 0.43 -1.15 2.01 -1.26 -5.04 115.64 107.47 1x8j s THR 33 Ca -0.13 0.86 0.07 0.00 0.31 0.00 0.00 61.69 62.80 1x8j s THR 33 Cb 0.16 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1x8j s THR 33 CO 0.73 0.16 0.30 0.42 -0.69 0.00 0.00 174.62 175.55 1x8j s THR 34 N -0.46 2.37 0.42 -0.82 -4.23 -1.26 -4.99 115.64 106.67 1x8j s THR 34 Ca 0.53 -1.51 0.07 0.00 -1.18 0.00 0.00 61.69 59.61 1x8j s THR 34 Cb -0.38 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 1x8j s THR 34 CO 0.45 0.00 0.18 -0.31 -0.54 0.00 0.00 174.62 174.40 1x8j s TYR 35 N -2.57 2.52 0.06 3.99 1.51 -1.26 -0.08 117.35 121.51 1x8j s TYR 35 Ca 0.43 -0.62 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 1x8j s TYR 35 Cb -0.00 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1x8j s TYR 35 CO 0.25 0.16 0.40 0.14 -1.11 0.00 0.00 175.55 175.39 1x8j s VAL 36 N -2.62 0.06 -0.13 0.71 -7.23 -0.89 -4.68 120.40 105.61 1x8j s VAL 36 Ca 0.39 -0.49 -0.10 0.00 -1.81 0.00 0.00 61.98 59.97 1x8j s VAL 36 Cb 0.04 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 1x8j s VAL 36 CO 0.22 -0.27 0.20 -0.54 -0.31 0.00 0.00 175.10 174.39 1x8j s LYS 37 N -2.67 3.83 -0.05 4.82 1.02 -0.07 -1.98 119.74 124.64 1x8j s LYS 37 Ca -0.04 -0.04 0.05 0.00 0.02 0.00 0.00 55.97 55.96 1x8j s LYS 37 Cb -0.00 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1x8j s LYS 37 CO -0.04 0.55 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.58 1x8j s LEU 38 N -0.43 2.39 0.14 3.17 2.96 0.20 -0.98 118.68 126.13 1x8j s LEU 38 Ca 0.15 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1x8j s LEU 38 Cb -0.13 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1x8j s LEU 38 CO 0.04 0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.98 1x8j n GLY 39 N 2.57 -1.92 0.25 7.98 0.00 -0.95 -1.41 105.19 111.72 1x8j n GLY 39 Ca -0.17 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.56 1x8j n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x8j h PRO 40 N -0.43 0.00 0.00 1.61 0.13 -1.96 -1.80 132.00 129.55 1x8j h PRO 40 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1x8j h PRO 40 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1x8j h PRO 40 CO 0.01 0.13 -0.32 0.87 -0.23 0.00 0.00 178.00 178.46 1x8j h LYS 41 N 0.00 0.00 -1.55 0.86 1.57 -2.01 -3.48 116.57 111.96 1x8j h LYS 41 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1x8j h LYS 41 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.61 1x8j h LYS 41 CO 0.02 0.00 -0.16 0.41 -0.57 0.00 0.00 179.45 179.15 1x8j n GLY 42 N 1.29 0.38 3.69 3.86 0.00 -0.68 -4.68 105.19 109.06 1x8j n GLY 42 Ca 0.04 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1x8j n GLY 42 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x8j n TYR 43 N -3.53 2.56 -2.36 1.61 0.53 -0.50 -4.35 117.16 111.12 1x8j n TYR 43 Ca -0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.43 1x8j n TYR 43 Cb 0.53 -2.67 -0.02 0.00 -1.03 0.00 0.00 39.34 36.15 1x8j n TYR 43 CO 0.00 0.00 0.00 -1.64 -1.02 0.00 0.00 176.86 174.20 1x8j s MET 44 N 2.04 4.04 0.06 -0.72 -1.94 0.42 -0.63 119.30 122.58 1x8j s MET 44 Ca 0.80 1.51 0.06 0.00 -1.71 0.00 0.00 55.69 56.35 1x8j s MET 44 Cb -0.55 -3.86 -0.03 0.00 2.01 0.00 0.00 34.83 32.41 1x8j s MET 44 CO 0.37 -0.96 -0.16 0.14 -0.01 0.00 0.00 175.02 174.40 1x8j s VAL 45 N 4.11 1.32 0.20 -6.03 -7.23 -0.84 0.23 120.40 112.16 1x8j s VAL 45 Ca 0.58 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 1x8j s VAL 45 Cb -0.20 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 1x8j s VAL 45 CO 0.21 -0.01 1.37 -0.31 -0.31 0.00 0.00 175.10 176.05 1x8j s TYR 46 N -0.96 3.17 0.24 2.82 1.51 -1.26 -2.10 117.35 120.77 1x8j s TYR 46 Ca 0.03 1.10 -0.04 0.00 -1.01 0.00 0.00 57.07 57.15 1x8j s TYR 46 Cb -0.09 -3.69 0.47 0.00 -0.11 0.00 0.00 41.96 38.53 1x8j s TYR 46 CO 0.02 -2.26 1.32 -2.13 -1.11 0.00 0.00 175.55 171.39 1x8j n ARG 47 N 2.75 -0.07 0.27 -0.62 0.63 0.88 0.23 116.66 120.72 1x8j n ARG 47 Ca 0.07 1.30 0.13 0.00 -0.92 0.00 0.00 57.85 58.43 1x8j n ARG 47 Cb 0.42 -1.98 0.70 0.00 0.45 0.00 0.00 32.46 32.05 1x8j n ARG 47 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1x8j h PRO 48 N 0.00 0.00 -0.25 -0.14 0.11 -1.84 -1.93 132.00 127.96 1x8j h PRO 48 Ca 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.53 1x8j h PRO 48 Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1x8j h PRO 48 CO -0.84 0.00 0.06 -0.92 -0.21 0.00 0.00 178.00 176.08 1x8j h TYR 49 N 0.00 0.35 -0.74 0.65 3.20 -0.44 -2.96 116.97 117.03 1x8j h TYR 49 Ca 0.00 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.97 1x8j h TYR 49 Cb 0.51 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1x8j h TYR 49 CO 0.00 0.32 0.49 -0.07 -1.64 0.00 0.00 178.16 177.25 1x8j h LEU 50 N 0.35 0.50 -2.05 2.82 3.38 -1.54 -1.70 115.31 117.08 1x8j h LEU 50 Ca 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1x8j h LEU 50 Cb 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1x8j h LEU 50 CO -0.00 0.29 -0.09 0.07 0.09 0.00 0.00 178.44 178.80 1x8j h LYS 51 N 0.55 0.00 -0.07 1.13 2.10 -1.74 -2.96 116.57 115.58 1x8j h LYS 51 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1x8j h LYS 51 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1x8j h LYS 51 CO -0.12 0.09 0.00 -3.47 -2.00 0.00 0.00 179.45 173.94 1x8j n ASP 52 N -3.89 1.85 -0.10 7.07 2.03 -0.78 -4.76 116.55 117.97 1x8j n ASP 52 Ca -0.02 -1.55 -0.06 0.00 0.52 0.00 0.00 54.79 53.68 1x8j n ASP 52 Cb 0.18 -0.05 0.01 0.00 -0.72 0.00 0.00 41.12 40.55 1x8j n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x8j h ALA 53 N 0.97 0.34 -0.52 -1.67 0.00 -1.16 -1.39 119.26 115.83 1x8j h ALA 53 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1x8j h ALA 53 Cb 0.38 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1x8j h ALA 53 CO 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 179.25 178.95 1x8j h ALA 54 N 1.28 0.69 -0.65 0.00 0.00 -1.86 -1.49 119.26 117.24 1x8j h ALA 54 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x8j h ALA 54 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1x8j h ALA 54 CO -0.25 0.44 0.38 -0.91 0.00 0.00 0.00 179.25 178.90 1x8j h ASN 55 N 0.75 0.79 -0.32 0.00 2.35 -1.81 -1.49 115.58 115.85 1x8j h ASN 55 Ca 0.16 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1x8j h ASN 55 Cb 0.41 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1x8j h ASN 55 CO 0.01 0.63 0.10 0.40 -1.65 0.00 0.00 177.43 176.92 1x8j h ILE 56 N 0.88 1.20 -0.59 2.81 2.04 -1.12 0.76 117.51 123.50 1x8j h ILE 56 Ca 0.23 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.53 1x8j h ILE 56 Cb -0.01 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1x8j h ILE 56 CO -0.04 0.22 0.40 0.22 0.00 0.00 0.00 178.15 178.95 1x8j h TYR 57 N 0.36 0.42 -0.36 1.37 3.20 -0.98 -2.29 116.97 118.68 1x8j h TYR 57 Ca 0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1x8j h TYR 57 Cb 0.25 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1x8j h TYR 57 CO 0.01 0.20 0.00 0.09 -1.64 0.00 0.00 178.16 176.82 1x8j n ASN 58 N -4.47 3.68 -4.74 -2.11 3.02 -0.59 -2.48 115.26 107.57 1x8j n ASN 58 Ca 0.10 -2.52 -0.42 0.00 -0.03 0.00 0.00 54.58 51.71 1x8j n ASN 58 Cb 0.37 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1x8j n ASN 58 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1x8j n MET 59 N 0.17 2.76 -2.11 3.52 0.00 0.26 -4.93 117.12 116.80 1x8j n MET 59 Ca 0.18 0.99 -0.42 0.00 0.00 0.00 0.00 57.70 58.45 1x8j n MET 59 Cb 0.71 -2.79 -0.03 0.00 0.00 0.00 0.00 33.22 31.11 1x8j n MET 59 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1x8j s PRO 60 N -0.10 4.30 0.24 3.17 0.02 -1.26 -4.88 135.00 136.49 1x8j s PRO 60 Ca 0.66 2.15 0.07 0.00 0.02 0.00 0.00 61.00 63.91 1x8j s PRO 60 Cb -0.49 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.79 1x8j s PRO 60 CO 0.44 -0.45 0.15 -0.51 -0.33 0.00 0.00 177.00 176.31 1x8j s LEU 61 N 0.81 3.71 -0.02 -5.54 1.43 -1.26 -4.99 118.68 112.83 1x8j s LEU 61 Ca 0.64 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1x8j s LEU 61 Cb -0.39 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 1x8j s LEU 61 CO 0.33 -0.01 -0.18 -0.13 0.23 0.00 0.00 176.35 176.59 1x8j s ARG 62 N -3.69 1.45 0.62 1.70 0.52 -1.26 -5.02 118.95 113.27 1x8j s ARG 62 Ca 0.32 -0.63 0.25 0.00 -0.52 0.00 0.00 55.73 55.15 1x8j s ARG 62 Cb -0.08 -1.39 1.35 0.00 0.52 0.00 0.00 34.95 35.35 1x8j s ARG 62 CO 0.24 0.37 1.75 -1.00 0.02 0.00 0.00 175.30 176.68 1x8j h PRO 63 N 5.74 0.00 0.00 3.54 0.13 -1.99 0.12 132.00 139.54 1x8j h PRO 63 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1x8j h PRO 63 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1x8j h PRO 63 CO 0.48 0.00 -0.83 -2.37 -0.23 0.00 0.00 178.00 175.05 1x8j n THR 64 N -2.74 0.11 -1.71 1.56 5.66 -1.26 -4.77 114.28 111.12 1x8j n THR 64 Ca -0.02 -0.14 -0.39 0.00 -3.05 0.00 0.00 64.05 60.45 1x8j n THR 64 Cb 0.44 0.30 0.03 0.00 -1.55 0.00 0.00 70.33 69.55 1x8j n THR 64 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1x8j n ASP 65 N -1.77 2.44 -3.86 1.09 8.00 0.40 -4.56 116.55 118.28 1x8j n ASP 65 Ca 0.03 1.01 -0.20 0.00 0.71 0.00 0.00 54.79 56.34 1x8j n ASP 65 Cb 0.39 -1.53 -0.17 0.00 -0.02 0.00 0.00 41.12 39.80 1x8j n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x8j s VAL 66 N -1.28 0.48 -0.07 2.53 1.01 -0.92 -3.04 120.40 119.12 1x8j s VAL 66 Ca 0.68 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1x8j s VAL 66 Cb -0.45 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1x8j s VAL 66 CO 0.52 0.22 -0.08 -0.36 0.00 0.00 0.00 175.10 175.41 1x8j s PHE 67 N 1.12 2.90 -0.31 5.22 0.40 0.41 -0.45 117.98 127.27 1x8j s PHE 67 Ca -0.08 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1x8j s PHE 67 Cb -0.14 -1.70 0.08 0.00 0.51 0.00 0.00 43.02 41.77 1x8j s PHE 67 CO -0.01 0.31 -0.01 0.08 0.70 0.00 0.00 175.22 176.29 1x8j s VAL 68 N -0.79 2.37 0.30 -0.44 1.01 0.70 -0.79 120.40 122.76 1x8j s VAL 68 Ca 0.12 -1.95 0.09 0.00 0.00 0.00 0.00 61.98 60.24 1x8j s VAL 68 Cb -0.11 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1x8j s VAL 68 CO 0.01 -0.33 0.09 0.00 0.00 0.00 0.00 175.10 174.87 1x8j s ALA 69 N 1.03 3.36 0.00 5.51 0.00 -0.35 -2.20 121.76 129.11 1x8j s ALA 69 Ca 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1x8j s ALA 69 Cb -0.20 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1x8j s ALA 69 CO -0.06 0.15 0.00 -1.13 0.00 0.00 0.00 175.76 174.72 1x8j n SER 70 N -1.05 0.00 -4.74 0.00 3.41 -1.15 -1.11 113.62 108.99 1x8j n SER 70 Ca -0.05 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.16 1x8j n SER 70 Cb 0.60 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 1x8j n SER 70 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1x8j s TYR 71 N -2.00 3.75 0.41 7.33 5.04 -1.26 -4.08 117.35 126.54 1x8j s TYR 71 Ca 0.00 1.54 -0.22 0.00 -2.44 0.00 0.00 57.07 55.95 1x8j s TYR 71 Cb 0.00 -2.86 -0.14 0.00 0.35 0.00 0.00 41.96 39.30 1x8j s TYR 71 CO 0.00 0.26 0.26 0.00 -1.34 0.00 0.00 175.55 174.73 1x8j n GLN 72 N 2.80 0.19 -2.57 4.97 10.64 -1.26 -3.26 117.38 128.89 1x8j n GLN 72 Ca -0.02 0.07 -0.14 0.00 -1.83 0.00 0.00 57.00 55.09 1x8j n GLN 72 Cb 0.50 -1.18 0.01 0.00 -0.86 0.00 0.00 30.24 28.71 1x8j n GLN 72 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1x8j n ARG 73 N 1.05 -2.41 -0.07 2.61 5.12 -1.26 -4.90 116.66 116.81 1x8j n ARG 73 Ca 0.12 0.61 0.03 0.00 -1.93 0.00 0.00 57.85 56.67 1x8j n ARG 73 Cb 0.40 -4.81 0.07 0.00 -1.16 0.00 0.00 32.46 26.95 1x8j n ARG 73 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1x8j n SER 74 N -0.82 2.22 0.00 0.55 7.64 -1.20 -4.69 113.62 117.32 1x8j n SER 74 Ca -0.10 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1x8j n SER 74 Cb 0.59 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1x8j n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x8j n GLY 75 N 0.14 1.59 0.50 0.23 0.00 -1.26 -4.28 105.19 102.10 1x8j n GLY 75 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1x8j n GLY 75 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x8j h THR 76 N 0.00 0.03 -0.55 2.61 2.02 -1.92 -2.45 112.91 112.64 1x8j h THR 76 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1x8j h THR 76 Cb 0.00 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.34 1x8j h THR 76 CO 0.00 0.00 -0.01 0.74 0.37 0.00 0.00 175.52 176.62 1x8j h THR 77 N -0.99 0.55 -0.08 3.16 2.02 -1.99 0.91 112.91 116.49 1x8j h THR 77 Ca -0.06 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1x8j h THR 77 Cb 0.86 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1x8j h THR 77 CO -0.07 0.02 -0.09 0.24 0.37 0.00 0.00 175.52 175.98 1x8j h MET 78 N 0.11 -0.12 -0.85 6.66 2.86 -1.99 -2.30 114.93 119.30 1x8j h MET 78 Ca 0.28 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1x8j h MET 78 Cb 0.44 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 1x8j h MET 78 CO -0.48 -0.08 0.55 1.15 1.06 0.00 0.00 176.91 179.11 1x8j h THR 79 N -0.12 1.15 -0.56 2.22 2.02 -0.83 -1.89 112.91 114.89 1x8j h THR 79 Ca 0.06 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1x8j h THR 79 Cb 0.21 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1x8j h THR 79 CO -0.15 0.20 0.33 1.56 0.37 0.00 0.00 175.52 177.82 1x8j h GLN 80 N 1.08 0.64 -0.25 6.66 4.20 -0.44 0.11 115.11 127.10 1x8j h GLN 80 Ca 0.34 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1x8j h GLN 80 Cb -0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1x8j h GLN 80 CO -0.11 0.42 0.11 1.49 -0.67 0.00 0.00 178.83 180.07 1x8j h GLU 81 N 0.65 0.37 0.13 1.46 4.57 -1.00 -0.73 114.58 120.03 1x8j h GLU 81 Ca 0.23 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1x8j h GLU 81 Cb 0.04 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1x8j h GLU 81 CO -0.10 0.39 -0.06 -0.07 -1.18 0.00 0.00 179.01 177.98 1x8j h LEU 82 N 0.26 -0.15 -1.12 1.64 3.38 -1.03 -1.59 115.31 116.69 1x8j h LEU 82 Ca 0.08 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1x8j h LEU 82 Cb 0.16 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1x8j h LEU 82 CO -0.01 -0.01 0.60 0.58 0.09 0.00 0.00 178.44 179.69 1x8j h VAL 83 N -0.28 1.12 -0.13 1.22 2.07 -0.73 -1.54 116.25 117.98 1x8j h VAL 83 Ca -0.02 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1x8j h VAL 83 Cb 0.22 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1x8j h VAL 83 CO 0.03 0.20 -0.07 -0.25 0.02 0.00 0.00 177.57 177.50 1x8j h TRP 84 N 1.10 0.33 -0.44 1.57 7.01 -0.96 -2.21 115.95 122.36 1x8j h TRP 84 Ca 0.38 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 1x8j h TRP 84 Cb 0.10 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 1x8j h TRP 84 CO -0.00 0.63 0.24 -0.07 -2.79 0.00 0.00 178.44 176.45 1x8j h LEU 85 N -0.07 0.54 -0.35 0.65 3.38 -1.08 -1.33 115.31 117.05 1x8j h LEU 85 Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x8j h LEU 85 Cb 0.55 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1x8j h LEU 85 CO 0.02 0.47 0.20 0.40 0.09 0.00 0.00 178.44 179.62 1x8j h ILE 86 N 0.57 1.14 0.00 1.22 2.04 -1.30 0.44 117.51 121.61 1x8j h ILE 86 Ca 0.15 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1x8j h ILE 86 Cb 0.05 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1x8j h ILE 86 CO -0.03 0.14 -0.30 -0.33 0.00 0.00 0.00 178.15 177.63 1x8j h GLU 87 N 0.45 0.00 -0.96 2.37 4.39 -1.31 -3.06 114.58 116.46 1x8j h GLU 87 Ca 0.12 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.17 1x8j h GLU 87 Cb 0.05 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 28.39 1x8j h GLU 87 CO -0.02 0.30 0.64 0.09 -1.16 0.00 0.00 179.01 178.86 1x8j n ASN 88 N -3.82 7.17 -4.13 1.42 3.02 -0.51 -4.93 115.26 113.48 1x8j n ASN 88 Ca -0.01 -3.78 -0.29 0.00 -0.03 0.00 0.00 54.58 50.47 1x8j n ASN 88 Cb 0.39 -0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 38.61 1x8j n ASN 88 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1x8j n ASP 89 N -0.90 0.02 -4.06 6.41 10.43 -1.02 -1.57 116.55 125.86 1x8j n ASP 89 Ca 0.60 -1.15 -0.34 0.00 2.57 0.00 0.00 54.79 56.47 1x8j n ASP 89 Cb 0.74 -2.30 -0.03 0.00 1.84 0.00 0.00 41.12 41.37 1x8j n ASP 89 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1x8j n LEU 90 N -4.51 -1.38 -4.14 0.64 4.77 0.15 -4.82 117.00 107.70 1x8j n LEU 90 Ca -0.31 -0.88 -0.43 0.00 -0.03 0.00 0.00 56.01 54.37 1x8j n LEU 90 Cb 0.69 -1.92 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1x8j n LEU 90 CO 0.80 0.21 2.16 -3.20 -1.33 0.00 0.00 177.39 176.03 1x8j n ASN 91 N -2.48 4.61 -0.21 -1.43 2.85 -0.61 -4.77 115.26 113.21 1x8j n ASN 91 Ca 0.07 -2.93 0.27 0.00 -0.11 0.00 0.00 54.58 51.88 1x8j n ASN 91 Cb 0.49 -1.65 0.67 0.00 1.24 0.00 0.00 39.78 40.53 1x8j n ASN 91 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1x8j h PHE 92 N 6.65 0.15 -0.29 1.20 -1.00 -1.89 -1.18 116.94 120.58 1x8j h PHE 92 Ca 0.47 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.24 1x8j h PHE 92 Cb 0.75 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1x8j h PHE 92 CO 1.37 0.03 0.12 1.49 -1.61 0.00 0.00 178.31 179.71 1x8j h GLU 93 N 0.11 0.43 0.00 1.51 4.57 -2.00 -2.56 114.58 116.64 1x8j h GLU 93 Ca 0.46 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1x8j h GLU 93 Cb 1.63 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 1x8j h GLU 93 CO -0.06 0.45 0.00 0.00 -1.18 0.00 0.00 179.01 178.21 1x8j h ALA 94 N 0.96 1.00 -0.01 2.92 0.00 -1.63 -2.74 119.26 119.76 1x8j h ALA 94 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x8j h ALA 94 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x8j h ALA 94 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1x8j n ALA 95 N -1.99 2.64 1.05 0.00 0.00 -0.97 -3.74 120.51 117.51 1x8j n ALA 95 Ca 0.01 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1x8j n ALA 95 Cb 0.31 -1.38 0.57 0.00 0.00 0.00 0.00 19.45 18.95 1x8j n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x8j n LYS 96 N -0.58 0.29 -1.87 0.00 5.02 -1.04 -4.78 118.16 115.20 1x8j n LYS 96 Ca 0.21 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.26 1x8j n LYS 96 Cb 0.19 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1x8j n LYS 96 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1x8j s THR 97 N -2.62 4.41 0.29 -0.18 -4.23 -1.24 -4.63 115.64 107.43 1x8j s THR 97 Ca 0.21 0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 61.28 1x8j s THR 97 Cb 0.15 -3.67 -0.13 0.00 1.34 0.00 0.00 72.50 70.20 1x8j s THR 97 CO 0.36 -0.95 1.37 -1.22 -0.54 0.00 0.00 174.62 173.64 1x8j n TYR 98 N -2.64 2.29 0.11 3.99 0.53 -1.26 -4.83 117.16 115.34 1x8j n TYR 98 Ca 0.07 0.47 0.06 0.00 -1.02 0.00 0.00 57.90 57.48 1x8j n TYR 98 Cb 0.54 -2.45 0.52 0.00 -1.03 0.00 0.00 39.34 36.91 1x8j n TYR 98 CO 0.00 0.00 0.00 1.98 -1.02 0.00 0.00 176.86 177.82 1x8j h MET 99 N 3.48 0.31 0.00 -0.72 1.85 -1.53 -0.16 114.93 118.15 1x8j h MET 99 Ca -0.46 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 58.61 1x8j h MET 99 Cb 1.27 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 33.23 1x8j h MET 99 CO 0.70 0.20 -0.01 0.66 -0.40 0.00 0.00 176.91 178.06 1x8j h SER 100 N 0.32 0.00 0.61 1.39 4.64 -1.83 -0.51 113.55 118.17 1x8j h SER 100 Ca 0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1x8j h SER 100 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1x8j h SER 100 CO -0.02 0.01 -1.45 0.18 -0.87 0.00 0.00 176.83 174.69 1x8j n LEU 101 N -3.12 0.60 0.11 5.97 4.32 -0.13 -4.15 117.00 120.59 1x8j n LEU 101 Ca -0.00 0.24 0.09 0.00 -0.02 0.00 0.00 56.01 56.33 1x8j n LEU 101 Cb 0.26 0.03 0.01 0.00 -1.62 0.00 0.00 43.42 42.10 1x8j n LEU 101 CO 0.26 -0.01 0.08 0.03 -1.22 0.00 0.00 177.39 176.54 1x8j h ARG 102 N 0.00 0.00 -5.57 3.23 3.08 -0.69 -3.47 114.38 110.96 1x8j h ARG 102 Ca -0.08 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.52 1x8j h ARG 102 Cb 1.25 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.10 1x8j h ARG 102 CO 0.01 0.06 -0.78 0.71 -1.07 0.00 0.00 179.97 178.91 1x8j s TYR 103 N -3.26 1.43 -0.21 3.04 1.51 -0.27 -4.42 117.35 115.18 1x8j s TYR 103 Ca 0.00 -0.49 -0.08 0.00 -1.01 0.00 0.00 57.07 55.49 1x8j s TYR 103 Cb 0.09 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 1x8j s TYR 103 CO 0.78 0.14 0.09 0.42 -1.11 0.00 0.00 175.55 175.86 1x8j s ILE 104 N -1.63 4.90 -1.06 2.71 1.01 -0.33 -4.66 121.20 122.14 1x8j s ILE 104 Ca 0.05 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.53 1x8j s ILE 104 Cb -0.08 -3.24 0.12 0.00 0.01 0.00 0.00 42.46 39.27 1x8j s ILE 104 CO 0.03 0.41 1.32 -0.47 0.00 0.00 0.00 174.94 176.24 1x8j s TYR 105 N 0.72 3.11 0.25 3.97 6.04 -1.26 -0.86 117.35 129.31 1x8j s TYR 105 Ca 0.05 -1.55 -0.12 0.00 0.04 0.00 0.00 57.07 55.49 1x8j s TYR 105 Cb -0.13 -4.40 0.34 0.00 -1.04 0.00 0.00 41.96 36.73 1x8j s TYR 105 CO 0.02 -1.56 1.49 -0.11 -1.54 0.00 0.00 175.55 173.85 1x8j n LEU 106 N 6.81 -0.48 -0.89 6.97 7.94 -0.15 -1.69 117.00 135.52 1x8j n LEU 106 Ca 0.31 1.66 0.09 0.00 -1.11 0.00 0.00 56.01 56.97 1x8j n LEU 106 Cb 0.47 -0.44 0.16 0.00 0.53 0.00 0.00 43.42 44.13 1x8j n LEU 106 CO 0.59 -1.54 0.62 -0.90 -1.11 0.00 0.00 177.39 175.04 1x8j n ASP 107 N -5.49 2.99 -0.05 1.96 5.75 -1.26 -3.48 116.55 116.98 1x8j n ASP 107 Ca 0.13 -1.87 0.23 0.00 -0.01 0.00 0.00 54.79 53.26 1x8j n ASP 107 Cb 0.43 -0.17 0.71 0.00 -1.03 0.00 0.00 41.12 41.06 1x8j n ASP 107 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1x8j h GLY 108 N 3.54 0.00 1.18 6.12 0.00 -1.67 -2.75 103.07 109.50 1x8j h GLY 108 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1x8j h GLY 108 CO 0.00 0.00 0.25 0.27 0.00 0.00 0.00 176.54 177.06 1x8j h PHE 109 N 0.00 1.05 -0.08 5.60 -5.15 -1.80 -3.29 116.94 113.27 1x8j h PHE 109 Ca 0.30 -0.08 0.02 0.00 -0.20 0.00 0.00 57.97 58.01 1x8j h PHE 109 Cb 1.24 -0.31 -0.00 0.00 0.22 0.00 0.00 35.95 37.09 1x8j h PHE 109 CO 0.00 0.82 0.44 0.00 -2.00 0.00 0.00 178.31 177.56 1x8j h MET 110 N 1.01 0.00 0.00 6.09 -0.00 -1.77 -1.21 114.93 119.04 1x8j h MET 110 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.93 1x8j h MET 110 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1x8j h MET 110 CO -0.02 0.00 0.00 1.51 -0.00 0.00 0.00 176.91 178.40 1x8j n ILE 111 N -2.98 0.31 -4.76 -0.10 3.06 -1.24 -4.20 119.36 109.45 1x8j n ILE 111 Ca 0.00 0.05 -0.33 0.00 -2.50 0.00 0.00 62.75 59.97 1x8j n ILE 111 Cb 0.50 -0.65 -0.14 0.00 0.54 0.00 0.00 39.64 39.89 1x8j n ILE 111 CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 1x8j s TYR 112 N -3.01 2.82 -0.33 9.51 5.04 -0.46 -4.72 117.35 126.19 1x8j s TYR 112 Ca 0.12 -0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 54.13 1x8j s TYR 112 Cb 0.16 -1.85 0.08 0.00 0.35 0.00 0.00 41.96 40.70 1x8j s TYR 112 CO 0.46 -0.19 0.05 0.34 -1.34 0.00 0.00 175.55 174.88 1x8j s ASP 113 N 0.33 4.93 0.54 4.32 3.68 -1.26 -4.85 116.67 124.35 1x8j s ASP 113 Ca -0.10 -1.65 0.32 0.00 2.13 0.00 0.00 52.55 53.24 1x8j s ASP 113 Cb -0.16 -1.71 1.48 0.00 -1.45 0.00 0.00 42.92 41.08 1x8j s ASP 113 CO 0.05 -0.35 1.88 -0.65 0.13 0.00 0.00 175.17 176.24 1x8j h PRO 114 N 7.92 0.00 -0.11 4.34 0.11 -1.96 0.11 132.00 142.42 1x8j h PRO 114 Ca -0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1x8j h PRO 114 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1x8j h PRO 114 CO 0.57 0.00 -0.02 1.49 -0.21 0.00 0.00 178.00 179.83 1x8j h GLU 115 N 0.00 0.15 -0.54 1.05 4.81 -2.05 -2.31 114.58 115.69 1x8j h GLU 115 Ca 0.42 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1x8j h GLU 115 Cb 1.71 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.94 1x8j h GLU 115 CO -0.00 0.18 0.15 1.63 -0.73 0.00 0.00 179.01 180.24 1x8j n LYS 116 N -4.43 2.65 -0.33 1.92 5.02 0.38 -4.78 118.16 118.60 1x8j n LYS 116 Ca -0.01 -3.06 0.05 0.00 -2.02 0.00 0.00 58.31 53.26 1x8j n LYS 116 Cb 0.15 -1.99 0.12 0.00 -0.02 0.00 0.00 35.03 33.30 1x8j n LYS 116 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1x8j h GLN 117 N 1.62 0.00 -0.10 1.97 4.15 -1.37 0.33 115.11 121.71 1x8j h GLN 117 Ca 0.25 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.70 1x8j h GLN 117 Cb 1.99 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.68 1x8j h GLN 117 CO 0.56 0.00 0.07 0.93 -1.93 0.00 0.00 178.83 178.46 1x8j h GLU 118 N 0.00 0.01 0.00 1.69 3.07 -1.87 -2.95 114.58 114.53 1x8j h GLU 118 Ca 0.44 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.24 1x8j h GLU 118 Cb 0.67 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1x8j h GLU 118 CO -0.94 0.01 -0.28 0.93 -1.40 0.00 0.00 179.01 177.33 1x8j h GLU 119 N 0.01 0.00 -0.51 2.33 5.08 -0.72 -3.36 114.58 117.41 1x8j h GLU 119 Ca 0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1x8j h GLU 119 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1x8j h GLU 119 CO -0.00 0.28 -0.13 1.88 -1.00 0.00 0.00 179.01 180.03 1x8j h TYR 120 N 0.00 1.09 0.00 4.33 -1.99 -1.52 -3.02 116.97 115.86 1x8j h TYR 120 Ca -0.00 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.50 1x8j h TYR 120 Cb 0.86 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1x8j h TYR 120 CO 0.00 1.03 0.00 0.27 -0.00 0.00 0.00 178.16 179.46 1x8j n ASN 121 N -4.14 0.71 0.00 3.88 6.94 -1.26 -2.67 115.26 118.73 1x8j n ASN 121 Ca 0.01 0.67 0.10 0.00 -0.02 0.00 0.00 54.58 55.34 1x8j n ASN 121 Cb 0.41 -0.82 0.48 0.00 -2.36 0.00 0.00 39.78 37.49 1x8j n ASN 121 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1x8j n ASP 122 N -2.28 0.00 -0.19 0.53 8.00 -1.14 -2.24 116.55 119.23 1x8j n ASP 122 Ca 0.02 0.16 0.13 0.00 0.71 0.00 0.00 54.79 55.81 1x8j n ASP 122 Cb 0.24 -0.36 0.33 0.00 -0.02 0.00 0.00 41.12 41.32 1x8j n ASP 122 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1x8j n ILE 123 N -1.36 0.00 -3.16 0.53 -5.35 -1.09 -4.90 119.36 104.04 1x8j n ILE 123 Ca 0.08 -0.10 -0.38 0.00 -0.27 0.00 0.00 62.75 62.08 1x8j n ILE 123 Cb 0.18 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.41 1x8j n ILE 123 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1x8j s LEU 124 N -2.63 4.52 0.22 7.28 1.43 -0.95 -4.95 118.68 123.59 1x8j s LEU 124 Ca 0.21 1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 54.62 1x8j s LEU 124 Cb 0.19 -3.14 0.20 0.00 0.03 0.00 0.00 46.19 43.47 1x8j s LEU 124 CO 0.57 0.21 1.88 -0.65 0.23 0.00 0.00 176.35 178.59 1x8j h PRO 125 N 4.26 1.02 -2.48 1.29 0.11 -1.90 -3.34 132.00 130.96 1x8j h PRO 125 Ca -0.48 -0.06 -0.59 0.00 0.11 0.00 0.00 66.00 64.97 1x8j h PRO 125 Cb 1.21 -0.23 -0.39 0.00 0.11 0.00 0.00 31.00 31.69 1x8j h PRO 125 CO 0.65 0.68 -0.87 0.09 -0.21 0.00 0.00 178.00 178.34 1x8j n ASN 126 N -4.55 0.81 -0.29 -2.05 4.13 -1.26 -4.97 115.26 107.08 1x8j n ASN 126 Ca 0.09 -2.71 0.22 0.00 1.68 0.00 0.00 54.58 53.85 1x8j n ASN 126 Cb 0.05 -0.63 0.52 0.00 -1.54 0.00 0.00 39.78 38.18 1x8j n ASN 126 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1x8j h PRO 127 N 5.21 0.37 -0.02 3.52 0.11 -1.80 -1.75 132.00 137.65 1x8j h PRO 127 Ca 0.20 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.30 1x8j h PRO 127 Cb 0.85 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1x8j h PRO 127 CO 0.51 0.24 0.04 0.93 -0.21 0.00 0.00 178.00 179.51 1x8j h GLU 128 N 0.38 0.00 -0.00 1.05 3.07 -1.94 -2.30 114.58 114.84 1x8j h GLU 128 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1x8j h GLU 128 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1x8j h GLU 128 CO -0.23 0.00 -0.21 0.09 -1.40 0.00 0.00 179.01 177.27 1x8j n ASN 129 N -3.47 0.68 -4.68 1.42 3.02 -0.66 -4.93 115.26 106.64 1x8j n ASN 129 Ca -0.02 -0.62 -0.40 0.00 -0.03 0.00 0.00 54.58 53.51 1x8j n ASN 129 Cb 0.11 0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.33 1x8j n ASN 129 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x8j n LEU 130 N -0.91 3.92 -4.44 3.41 4.77 -0.87 -4.82 117.00 118.06 1x8j n LEU 130 Ca 0.12 1.05 -0.44 0.00 -0.03 0.00 0.00 56.01 56.72 1x8j n LEU 130 Cb 0.32 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 39.90 1x8j n LEU 130 CO 0.26 -0.90 0.73 -0.62 -1.33 0.00 0.00 177.39 175.53 1x8j s ASP 131 N -0.68 6.28 0.24 -1.43 -1.08 -0.76 -4.91 116.67 114.32 1x8j s ASP 131 Ca 0.64 -1.32 -0.06 0.00 -0.52 0.00 0.00 52.55 51.29 1x8j s ASP 131 Cb -0.50 -2.39 0.28 0.00 -1.46 0.00 0.00 42.92 38.85 1x8j s ASP 131 CO 0.56 -1.29 1.89 0.24 0.52 0.00 0.00 175.17 177.09 1x8j h MET 132 N 9.32 1.14 0.38 4.34 2.86 -1.90 0.93 114.93 132.00 1x8j h MET 132 Ca -0.19 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1x8j h MET 132 Cb 1.06 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1x8j h MET 132 CO 1.15 0.75 -0.33 1.49 1.06 0.00 0.00 176.91 181.03 1x8j h GLU 133 N 1.17 -0.70 -0.72 1.72 4.81 -1.99 0.16 114.58 119.03 1x8j h GLU 133 Ca 0.36 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 1x8j h GLU 133 Cb -0.02 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1x8j h GLU 133 CO -0.11 -0.47 0.34 0.00 -0.73 0.00 0.00 179.01 178.04 1x8j h ARG 134 N -0.73 1.04 0.21 1.92 3.08 -1.94 -0.51 114.38 117.45 1x8j h ARG 134 Ca -0.03 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1x8j h ARG 134 Cb 0.64 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1x8j h ARG 134 CO -0.03 0.82 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.67 1x8j h TYR 135 N 1.01 -0.26 -0.16 3.04 3.20 -0.58 0.12 116.97 123.34 1x8j h TYR 135 Ca 0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1x8j h TYR 135 Cb 0.13 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1x8j h TYR 135 CO 0.01 -0.15 0.01 -0.07 -1.64 0.00 0.00 178.16 176.31 1x8j h LEU 136 N -0.30 0.20 -0.35 2.82 3.38 -0.59 -0.86 115.31 119.61 1x8j h LEU 136 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x8j h LEU 136 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1x8j h LEU 136 CO 0.05 0.24 0.18 1.23 0.09 0.00 0.00 178.44 180.24 1x8j h GLY 137 N 0.46 0.53 0.93 0.83 0.00 -0.20 -0.65 103.07 104.98 1x8j h GLY 137 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.14 1x8j h GLY 137 CO 0.00 0.24 -0.02 1.41 0.00 0.00 0.00 176.54 178.17 1x8j h LEU 138 N 0.44 -0.06 -1.42 3.11 3.38 0.50 -1.61 115.31 119.65 1x8j h LEU 138 Ca 0.12 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1x8j h LEU 138 Cb 0.08 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1x8j h LEU 138 CO -0.02 -0.03 0.46 -0.07 0.09 0.00 0.00 178.44 178.88 1x8j h LEU 139 N -0.03 0.61 -0.19 1.67 3.38 -0.98 0.14 115.31 119.91 1x8j h LEU 139 Ca 0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1x8j h LEU 139 Cb 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1x8j h LEU 139 CO -0.03 0.39 -0.16 -0.08 0.09 0.00 0.00 178.44 178.65 1x8j h GLU 140 N 0.69 0.45 -0.92 1.13 4.81 -0.67 -2.31 114.58 117.75 1x8j h GLU 140 Ca 0.31 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1x8j h GLU 140 Cb 0.31 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1x8j h GLU 140 CO -0.10 0.78 0.61 -0.92 -0.73 0.00 0.00 179.01 178.65 1x8j h TYR 141 N 0.12 1.15 0.00 0.92 3.20 -0.32 -0.25 116.97 121.80 1x8j h TYR 141 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1x8j h TYR 141 Cb 0.68 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1x8j h TYR 141 CO 0.08 0.71 0.00 0.43 -1.64 0.00 0.00 178.16 177.74 1x8j n SER 142 N -4.45 0.26 0.11 -2.11 7.64 0.41 -1.74 113.62 113.74 1x8j n SER 142 Ca 0.11 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1x8j n SER 142 Cb 0.03 -0.63 0.22 0.00 -1.01 0.00 0.00 64.21 62.82 1x8j n SER 142 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x8j h SER 143 N 0.00 0.00 -3.18 6.43 0.02 -0.46 -3.42 113.55 112.94 1x8j h SER 143 Ca 0.00 -0.08 -0.59 0.00 -0.84 0.00 0.00 61.79 60.28 1x8j h SER 143 Cb 0.23 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 1x8j h SER 143 CO 0.00 0.04 0.64 -0.13 -1.14 0.00 0.00 176.83 176.24 1x8j s ARG 144 N -3.18 4.23 0.62 3.45 0.52 -0.71 -5.02 118.95 118.86 1x8j s ARG 144 Ca 0.07 1.16 -0.18 0.00 -0.52 0.00 0.00 55.73 56.26 1x8j s ARG 144 Cb 0.11 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 1x8j s ARG 144 CO 0.68 -0.57 1.09 -2.30 0.02 0.00 0.00 175.30 174.22 1x8j n PRO 145 N 6.15 0.99 -0.13 3.54 -0.02 -1.26 -4.73 135.00 139.54 1x8j n PRO 145 Ca 0.09 0.39 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1x8j n PRO 145 Cb 0.47 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1x8j n PRO 145 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1x8j h GLY 146 N 0.52 0.58 -0.21 -1.23 0.00 -1.87 -2.87 103.07 97.99 1x8j h GLY 146 Ca -0.49 -0.20 0.17 0.00 0.00 0.00 0.00 47.33 46.80 1x8j h GLY 146 CO 0.52 0.18 0.10 1.48 0.00 0.00 0.00 176.54 178.82 1x8j h SER 147 N 0.52 -0.16 -0.68 0.19 4.64 -1.91 -0.13 113.55 116.03 1x8j h SER 147 Ca 0.16 0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1x8j h SER 147 Cb -0.02 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1x8j h SER 147 CO -0.06 -0.11 0.19 0.28 -0.87 0.00 0.00 176.83 176.26 1x8j h SER 148 N 0.18 1.02 -0.99 4.97 0.02 -1.88 -0.95 113.55 115.92 1x8j h SER 148 Ca 0.41 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1x8j h SER 148 Cb 0.73 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1x8j h SER 148 CO -0.58 0.98 0.65 -0.07 -1.14 0.00 0.00 176.83 176.67 1x8j h LEU 149 N 1.01 1.13 -0.02 5.07 3.38 -0.87 -1.35 115.31 123.66 1x8j h LEU 149 Ca 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1x8j h LEU 149 Cb 0.34 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1x8j h LEU 149 CO -0.00 0.81 -0.02 -0.07 0.09 0.00 0.00 178.44 179.25 1x8j h LEU 150 N 1.33 0.05 -2.45 1.67 3.38 -0.88 -3.14 115.31 115.26 1x8j h LEU 150 Ca 0.37 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1x8j h LEU 150 Cb -0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1x8j h LEU 150 CO -0.08 0.56 -0.02 0.00 0.09 0.00 0.00 178.44 178.99 1x8j h ALA 151 N 0.49 1.40 -0.15 1.53 0.00 -1.05 -2.36 119.26 119.12 1x8j h ALA 151 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1x8j h ALA 151 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1x8j h ALA 151 CO 0.01 0.02 -0.24 0.00 0.00 0.00 0.00 179.25 179.04 1x8j h ALA 152 N 1.98 1.32 -2.48 0.00 0.00 -1.19 -3.44 119.26 115.45 1x8j h ALA 152 Ca -0.00 -0.29 -0.53 0.00 0.00 0.00 0.00 54.91 54.08 1x8j h ALA 152 Cb 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1x8j h ALA 152 CO 0.00 0.46 0.86 0.08 0.00 0.00 0.00 179.25 180.66 1x8j s VAL 153 N -4.50 3.22 0.67 0.00 1.01 -0.89 -4.98 120.40 114.92 1x8j s VAL 153 Ca -0.05 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 1x8j s VAL 153 Cb 0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1x8j s VAL 153 CO 0.75 0.02 1.26 -2.84 0.00 0.00 0.00 175.10 174.30 1x8j s PRO 154 N 1.92 2.46 0.50 2.72 0.02 -1.26 -4.92 135.00 136.44 1x8j s PRO 154 Ca 0.68 1.95 0.18 0.00 0.02 0.00 0.00 61.00 63.83 1x8j s PRO 154 Cb -0.37 -1.85 1.23 0.00 0.02 0.00 0.00 34.50 33.53 1x8j s PRO 154 CO 0.30 -1.64 2.08 -1.35 -0.33 0.00 0.00 177.00 176.07 1x8j h PRO 155 N 0.33 0.00 -0.40 5.54 0.11 -1.95 -2.58 132.00 133.05 1x8j h PRO 155 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x8j h PRO 155 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1x8j h PRO 155 CO 0.52 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 1x8j n THR 156 N -4.28 0.24 -4.63 -1.15 -2.24 -1.26 -4.70 114.28 96.26 1x8j n THR 156 Ca -0.03 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 1x8j n THR 156 Cb 0.17 -0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 68.12 1x8j n THR 156 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x8j s GLU 157 N -1.64 2.11 0.10 -0.78 2.12 -0.97 -5.11 118.70 114.53 1x8j s GLU 157 Ca 0.08 -0.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.55 1x8j s GLU 157 Cb 0.05 -1.74 -0.08 0.00 0.26 0.00 0.00 34.13 32.61 1x8j s GLU 157 CO 0.04 0.01 1.50 0.21 -0.54 0.00 0.00 175.26 176.48 1x8j s LYS 158 N 0.76 4.26 -0.20 4.30 2.20 -1.26 -4.80 119.74 125.00 1x8j s LYS 158 Ca -0.12 2.20 -0.18 0.00 -0.36 0.00 0.00 55.97 57.51 1x8j s LYS 158 Cb -0.16 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1x8j s LYS 158 CO 0.02 -0.57 0.50 1.03 -0.36 0.00 0.00 175.35 175.97 1x8j s ARG 159 N 1.65 4.19 -0.27 4.03 0.52 -1.26 -5.05 118.95 122.75 1x8j s ARG 159 Ca 0.68 0.39 -0.08 0.00 -0.52 0.00 0.00 55.73 56.20 1x8j s ARG 159 Cb -0.39 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.51 1x8j s ARG 159 CO 0.30 -0.12 0.10 -0.06 0.02 0.00 0.00 175.30 175.54 1x8j s PHE 160 N 1.56 3.12 -0.07 -0.53 0.40 -1.26 -2.16 117.98 119.04 1x8j s PHE 160 Ca 0.23 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1x8j s PHE 160 Cb -0.15 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1x8j s PHE 160 CO 0.09 -0.41 -0.08 0.08 0.70 0.00 0.00 175.22 175.60 1x8j s VAL 161 N 1.60 3.59 -0.08 -0.44 1.01 0.41 -1.18 120.40 125.31 1x8j s VAL 161 Ca 0.05 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1x8j s VAL 161 Cb -0.16 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1x8j s VAL 161 CO 0.04 0.59 -0.24 -0.75 0.00 0.00 0.00 175.10 174.74 1x8j s LYS 162 N -0.71 2.79 0.04 2.72 2.20 -0.04 -0.22 119.74 126.53 1x8j s LYS 162 Ca 0.11 -0.89 -0.23 0.00 -0.36 0.00 0.00 55.97 54.60 1x8j s LYS 162 Cb -0.11 -2.24 0.05 0.00 -1.51 0.00 0.00 37.83 34.02 1x8j s LYS 162 CO 0.01 0.29 0.52 -0.08 -0.36 0.00 0.00 175.35 175.74 1x8j s THR 163 N 0.06 0.03 -0.27 3.43 -1.32 -0.93 -0.98 115.64 115.66 1x8j s THR 163 Ca -0.10 -0.24 0.05 0.00 -1.21 0.00 0.00 61.69 60.19 1x8j s THR 163 Cb -0.16 -0.97 0.12 0.00 -1.51 0.00 0.00 72.50 69.98 1x8j s THR 163 CO 0.06 -0.13 1.09 1.41 -2.21 0.00 0.00 174.62 174.84 1x8j n HIS 164 N 0.44 0.16 -2.52 9.09 8.25 -1.26 -2.91 115.22 126.46 1x8j n HIS 164 Ca -0.18 -0.54 -0.41 0.00 -0.26 0.00 0.00 57.72 56.32 1x8j n HIS 164 Cb 0.60 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 1x8j n HIS 164 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x8j s LEU 165 N -1.18 4.50 0.73 2.41 1.43 -1.26 -4.73 118.68 120.58 1x8j s LEU 165 Ca 0.10 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 1x8j s LEU 165 Cb 0.06 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.71 1x8j s LEU 165 CO 0.05 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.38 1x8j s PRO 166 N -0.51 2.44 0.31 1.29 0.04 -1.26 -4.82 135.00 132.49 1x8j s PRO 166 Ca 0.48 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.85 1x8j s PRO 166 Cb -0.29 -1.91 0.64 0.00 0.04 0.00 0.00 34.50 32.98 1x8j s PRO 166 CO 0.35 -1.51 1.87 -0.07 0.04 0.00 0.00 177.00 177.68 1x8j h LEU 167 N -0.65 0.82 0.00 -3.56 3.38 -1.94 -2.37 115.31 111.00 1x8j h LEU 167 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1x8j h LEU 167 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1x8j h LEU 167 CO 0.52 0.46 0.00 -1.54 0.09 0.00 0.00 178.44 177.97 1x8j n SER 168 N -4.56 0.00 -0.42 -0.43 3.41 -1.26 -1.61 113.62 108.75 1x8j n SER 168 Ca 0.17 0.33 0.07 0.00 -0.26 0.00 0.00 58.87 59.19 1x8j n SER 168 Cb 0.35 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1x8j n SER 168 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x8j n LEU 169 N -1.35 1.75 -4.82 1.04 4.77 -0.89 -4.98 117.00 112.52 1x8j n LEU 169 Ca 0.01 -0.84 -0.23 0.00 -0.03 0.00 0.00 56.01 54.92 1x8j n LEU 169 Cb 0.01 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1x8j n LEU 169 CO 0.01 0.33 -0.06 -0.04 -1.33 0.00 0.00 177.39 176.30 1x8j s MET 170 N -1.62 2.35 -0.23 3.23 -1.94 -0.63 -3.63 119.30 116.83 1x8j s MET 170 Ca 0.14 -1.76 -0.39 0.00 -1.71 0.00 0.00 55.69 51.97 1x8j s MET 170 Cb 0.12 -2.15 -0.15 0.00 2.01 0.00 0.00 34.83 34.66 1x8j s MET 170 CO 0.31 -0.23 1.74 -2.30 -0.01 0.00 0.00 175.02 174.53 1x8j n PRO 171 N -1.44 1.29 -1.78 2.03 -0.02 -1.04 -4.84 135.00 129.20 1x8j n PRO 171 Ca 0.00 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1x8j n PRO 171 Cb 0.63 -2.18 0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1x8j n PRO 171 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1x8j s PRO 172 N 3.41 2.71 0.00 0.52 0.04 -1.26 -1.69 135.00 138.73 1x8j s PRO 172 Ca 0.97 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1x8j s PRO 172 Cb -1.01 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1x8j s PRO 172 CO 0.63 -1.36 0.00 0.09 0.04 0.00 0.00 177.00 176.39 1x8j n ASN 173 N -2.17 -2.25 -0.32 6.66 3.02 -1.26 -4.86 115.26 114.08 1x8j n ASN 173 Ca 0.12 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.83 1x8j n ASN 173 Cb 0.51 -1.59 0.40 0.00 -0.61 0.00 0.00 39.78 38.49 1x8j n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x8j h MET 174 N 1.02 0.61 0.00 3.52 -0.00 -1.69 0.41 114.93 118.80 1x8j h MET 174 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1x8j h MET 174 Cb 0.25 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1x8j h MET 174 CO 0.00 0.40 0.02 1.28 -0.00 0.00 0.00 176.91 178.61 1x8j n LEU 175 N -4.67 0.00 0.22 -0.10 4.77 -1.26 -0.10 117.00 115.86 1x8j n LEU 175 Ca 0.22 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 56.77 1x8j n LEU 175 Cb 0.64 -0.43 0.34 0.00 -2.33 0.00 0.00 43.42 41.63 1x8j n LEU 175 CO 0.25 -0.43 0.87 0.44 -1.33 0.00 0.00 177.39 177.18 1x8j h ASP 176 N 0.00 0.00 0.00 -1.43 3.32 -0.56 -3.38 116.42 114.37 1x8j h ASP 176 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1x8j h ASP 176 Cb 0.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1x8j h ASP 176 CO 0.00 0.00 -1.38 0.41 -1.72 0.00 0.00 179.24 176.55 1x8j n THR 177 N -2.98 0.38 -3.62 0.35 -1.04 0.86 -5.07 114.28 103.16 1x8j n THR 177 Ca 0.03 -0.12 -0.20 0.00 -2.04 0.00 0.00 64.05 61.73 1x8j n THR 177 Cb 0.45 -1.18 -0.01 0.00 -1.82 0.00 0.00 70.33 67.76 1x8j n THR 177 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1x8j s VAL 178 N -2.13 4.31 -0.04 12.58 -7.23 -0.51 -4.20 120.40 123.18 1x8j s VAL 178 Ca -0.09 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1x8j s VAL 178 Cb 0.03 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 1x8j s VAL 178 CO 0.14 -0.20 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.18 1x8j s LYS 179 N -4.11 2.85 -0.00 4.82 1.02 -1.17 -4.50 119.74 118.64 1x8j s LYS 179 Ca 0.42 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.90 1x8j s LYS 179 Cb -0.09 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1x8j s LYS 179 CO 0.30 0.66 -0.05 1.41 -0.92 0.00 0.00 175.35 176.75 1x8j s MET 180 N -1.22 0.44 -0.23 1.68 -2.45 0.08 -0.45 119.30 117.16 1x8j s MET 180 Ca 0.16 -0.20 -0.01 0.00 -1.25 0.00 0.00 55.69 54.39 1x8j s MET 180 Cb -0.11 -0.42 0.02 0.00 1.25 0.00 0.00 34.83 35.57 1x8j s MET 180 CO 0.06 0.11 -0.09 0.08 1.05 0.00 0.00 175.02 176.24 1x8j s VAL 181 N -0.15 2.75 -0.18 10.11 1.01 0.03 -0.44 120.40 133.53 1x8j s VAL 181 Ca 0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1x8j s VAL 181 Cb -0.02 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1x8j s VAL 181 CO -0.00 0.29 -0.01 -0.47 0.00 0.00 0.00 175.10 174.91 1x8j s TYR 182 N 1.33 3.04 -0.12 5.22 5.04 -0.38 -1.22 117.35 130.27 1x8j s TYR 182 Ca 0.02 -0.39 -0.05 0.00 -2.44 0.00 0.00 57.07 54.21 1x8j s TYR 182 Cb -0.16 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 1x8j s TYR 182 CO -0.06 -0.16 0.07 -0.51 -1.34 0.00 0.00 175.55 173.56 1x8j s LEU 183 N 0.75 3.98 0.04 6.97 2.01 -0.27 -1.23 118.68 130.93 1x8j s LEU 183 Ca -0.00 0.28 0.05 0.00 0.01 0.00 0.00 54.13 54.46 1x8j s LEU 183 Cb -0.14 -1.96 -0.02 0.00 0.01 0.00 0.00 46.19 44.08 1x8j s LEU 183 CO 0.02 0.36 -0.15 0.00 1.01 0.00 0.00 176.35 177.59 1x8j s ALA 184 N -0.72 1.23 0.05 4.21 0.00 -0.43 -4.07 121.76 122.03 1x8j s ALA 184 Ca 0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 1x8j s ALA 184 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1x8j s ALA 184 CO 0.03 0.23 0.02 0.50 0.00 0.00 0.00 175.76 176.54 1x8j s ARG 185 N -1.22 0.61 -0.08 0.00 3.52 -1.26 -0.05 118.95 120.46 1x8j s ARG 185 Ca 0.02 -1.04 -0.36 0.00 -0.13 0.00 0.00 55.73 54.21 1x8j s ARG 185 Cb -0.08 0.22 -0.14 0.00 -1.56 0.00 0.00 34.95 33.39 1x8j s ARG 185 CO 0.01 -0.13 1.74 -3.47 -0.81 0.00 0.00 175.30 172.65 1x8j n ASP 186 N 0.35 2.93 -0.14 -2.12 -0.08 -1.26 -4.82 116.55 111.41 1x8j n ASP 186 Ca -0.16 1.03 0.14 0.00 -1.51 0.00 0.00 54.79 54.29 1x8j n ASP 186 Cb 0.60 -1.30 0.49 0.00 2.34 0.00 0.00 41.12 43.25 1x8j n ASP 186 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x8j h PRO 187 N 7.69 0.43 -0.61 -0.67 0.13 -1.99 -0.58 132.00 136.40 1x8j h PRO 187 Ca -0.47 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1x8j h PRO 187 Cb 1.29 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1x8j h PRO 187 CO 0.93 0.28 0.28 0.00 -0.23 0.00 0.00 178.00 179.26 1x8j h ARG 188 N 0.44 0.89 -0.13 0.86 3.08 -1.99 0.25 114.38 117.78 1x8j h ARG 188 Ca 0.34 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 60.08 1x8j h ARG 188 Cb 0.71 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1x8j h ARG 188 CO -0.11 0.73 -0.61 -0.44 -1.07 0.00 0.00 179.97 178.47 1x8j h ASP 189 N 0.85 0.50 -0.86 7.04 3.32 -1.69 -2.63 116.42 122.94 1x8j h ASP 189 Ca 0.21 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1x8j h ASP 189 Cb 0.14 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1x8j h ASP 189 CO -0.02 0.99 0.57 0.58 -1.72 0.00 0.00 179.24 179.64 1x8j h VAL 190 N 0.33 1.19 -0.09 -1.35 2.07 -0.61 -0.97 116.25 116.83 1x8j h VAL 190 Ca -0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1x8j h VAL 190 Cb 1.15 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1x8j h VAL 190 CO 0.11 0.21 0.05 0.00 0.02 0.00 0.00 177.57 177.96 1x8j h ALA 191 N 1.33 0.11 -0.50 1.67 0.00 -0.26 0.20 119.26 121.81 1x8j h ALA 191 Ca 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x8j h ALA 191 Cb -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1x8j h ALA 191 CO -0.09 -0.38 0.30 0.28 0.00 0.00 0.00 179.25 179.37 1x8j h VAL 192 N 0.09 1.15 -0.71 0.00 2.07 -1.12 -0.30 116.25 117.44 1x8j h VAL 192 Ca 0.03 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1x8j h VAL 192 Cb 0.03 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1x8j h VAL 192 CO -0.01 0.16 0.17 -1.28 0.02 0.00 0.00 177.57 176.63 1x8j h SER 193 N 0.67 1.07 0.01 0.57 0.87 -0.96 -2.48 113.55 113.30 1x8j h SER 193 Ca 0.18 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 1x8j h SER 193 Cb -0.01 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1x8j h SER 193 CO -0.03 1.03 -0.24 0.28 -0.53 0.00 0.00 176.83 177.33 1x8j h SER 194 N 1.07 0.38 0.12 6.23 0.02 -0.25 -0.11 113.55 121.01 1x8j h SER 194 Ca 0.22 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1x8j h SER 194 Cb 0.38 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1x8j h SER 194 CO 0.00 0.63 -0.06 0.15 -1.14 0.00 0.00 176.83 176.42 1x8j h PHE 195 N 0.35 -0.15 -0.64 3.45 3.57 -0.78 0.91 116.94 123.64 1x8j h PHE 195 Ca 0.05 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1x8j h PHE 195 Cb 0.62 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1x8j h PHE 195 CO 0.02 -0.03 0.17 0.45 -2.23 0.00 0.00 178.31 176.69 1x8j h HIS 196 N -0.24 1.06 -0.59 0.41 3.86 -1.25 -1.13 115.15 117.27 1x8j h HIS 196 Ca -0.02 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1x8j h HIS 196 Cb 0.19 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 1x8j h HIS 196 CO -0.05 0.88 0.33 1.25 0.86 0.00 0.00 177.93 181.21 1x8j h HIS 197 N 0.94 0.61 -0.44 2.45 -0.00 -0.84 0.51 115.15 118.39 1x8j h HIS 197 Ca 0.20 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1x8j h HIS 197 Cb 0.34 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1x8j h HIS 197 CO 0.02 0.31 0.20 0.00 -0.00 0.00 0.00 177.93 178.47 1x8j h ALA 198 N 1.30 1.53 -0.20 5.26 0.00 -0.26 -1.59 119.26 125.31 1x8j h ALA 198 Ca 0.26 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1x8j h ALA 198 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1x8j h ALA 198 CO -0.15 0.37 -0.65 0.00 0.00 0.00 0.00 179.25 178.83 1x8j h ARG 199 N 0.61 0.73 -0.73 0.00 2.47 0.11 0.51 114.38 118.08 1x8j h ARG 199 Ca 0.15 -0.52 0.06 0.00 -1.26 0.00 0.00 59.98 58.42 1x8j h ARG 199 Cb 0.08 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.43 1x8j h ARG 199 CO -0.02 1.14 0.42 1.25 0.56 0.00 0.00 179.97 183.33 1x8j h LEU 200 N 0.53 0.63 -2.72 3.04 5.85 0.93 -2.81 115.31 120.77 1x8j h LEU 200 Ca -0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1x8j h LEU 200 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1x8j h LEU 200 CO 0.13 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.81 1x8j n LEU 201 N -4.74 3.82 -3.43 2.25 4.77 -0.95 -1.03 117.00 117.69 1x8j n LEU 201 Ca 0.10 -1.95 -0.18 0.00 -0.03 0.00 0.00 56.01 53.95 1x8j n LEU 201 Cb 0.19 -0.45 0.09 0.00 -2.33 0.00 0.00 43.42 40.92 1x8j n LEU 201 CO 0.29 0.95 0.12 -1.22 -1.33 0.00 0.00 177.39 176.20 1x8j n TYR 202 N 1.54 -2.25 -0.07 -1.77 4.02 -1.03 -4.92 117.16 112.67 1x8j n TYR 202 Ca 0.23 0.94 -0.15 0.00 -0.01 0.00 0.00 57.90 58.92 1x8j n TYR 202 Cb 0.60 -5.06 -0.14 0.00 -0.02 0.00 0.00 39.34 34.72 1x8j n TYR 202 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1x8j n LEU 203 N -4.21 1.63 -4.84 7.72 4.77 0.14 -4.80 117.00 117.41 1x8j n LEU 203 Ca -0.25 0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 1x8j n LEU 203 Cb 0.66 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1x8j n LEU 203 CO 0.61 0.68 0.33 -0.22 -1.33 0.00 0.00 177.39 177.46 1x8j s LEU 204 N -6.27 4.22 0.09 2.23 2.96 -1.18 -4.28 118.68 116.46 1x8j s LEU 204 Ca -0.19 1.20 -0.31 0.00 -0.22 0.00 0.00 54.13 54.61 1x8j s LEU 204 Cb 0.07 -3.68 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1x8j s LEU 204 CO 0.75 -0.04 1.45 0.20 -1.32 0.00 0.00 176.35 177.39 1x8j s ASN 205 N -1.99 6.76 0.63 3.68 0.01 0.34 -4.87 114.94 119.51 1x8j s ASN 205 Ca 0.46 2.35 0.29 0.00 -0.71 0.00 0.00 52.86 55.25 1x8j s ASN 205 Cb -0.13 -2.58 1.57 0.00 0.41 0.00 0.00 41.25 40.52 1x8j s ASN 205 CO 0.19 -0.72 1.92 0.11 -1.51 0.00 0.00 177.10 177.09 1x8j h LYS 206 N 7.22 0.00 0.00 -0.60 1.57 -1.96 0.19 116.57 123.00 1x8j h LYS 206 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1x8j h LYS 206 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1x8j h LYS 206 CO 0.89 0.00 -0.48 1.04 -0.57 0.00 0.00 179.45 180.33 1x8j n GLN 207 N -3.25 0.15 -2.86 3.15 6.02 -1.26 -4.89 117.38 114.44 1x8j n GLN 207 Ca 0.02 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 1x8j n GLN 207 Cb 0.48 -1.61 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 1x8j n GLN 207 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1x8j s SER 208 N -3.67 6.97 0.49 1.08 0.01 0.67 -5.08 113.70 114.17 1x8j s SER 208 Ca 0.09 1.65 0.02 0.00 1.31 0.00 0.00 55.95 59.02 1x8j s SER 208 Cb 0.15 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.88 1x8j s SER 208 CO 0.69 -0.30 0.14 -0.46 0.41 0.00 0.00 173.24 173.72 1x8j n ASN 209 N -0.43 3.09 -0.26 2.44 0.23 -1.26 -4.92 115.26 114.15 1x8j n ASN 209 Ca 0.06 -2.99 -0.01 0.00 -0.53 0.00 0.00 54.58 51.10 1x8j n ASN 209 Cb 0.53 0.20 0.18 0.00 -2.08 0.00 0.00 39.78 38.61 1x8j n ASN 209 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1x8j h PHE 210 N 1.04 1.05 -0.93 -2.53 3.57 -1.98 -2.21 116.94 114.96 1x8j h PHE 210 Ca -0.37 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.14 1x8j h PHE 210 Cb 1.20 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 1x8j h PHE 210 CO 0.00 0.71 0.61 -0.22 -2.23 0.00 0.00 178.31 177.18 1x8j h LYS 211 N 1.10 1.17 -0.03 1.11 3.64 -1.97 0.42 116.57 122.01 1x8j h LYS 211 Ca 0.28 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1x8j h LYS 211 Cb -0.02 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1x8j h LYS 211 CO -0.05 0.77 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.43 1x8j h ASP 212 N 1.20 -0.09 -0.54 4.20 3.32 -1.82 -0.34 116.42 122.35 1x8j h ASP 212 Ca 0.36 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.43 1x8j h ASP 212 Cb -0.06 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1x8j h ASP 212 CO -0.10 -0.04 0.36 0.15 -1.72 0.00 0.00 179.24 177.89 1x8j h PHE 213 N -0.04 0.68 -0.07 4.55 3.57 -0.76 -1.63 116.94 123.24 1x8j h PHE 213 Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1x8j h PHE 213 Cb 0.07 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1x8j h PHE 213 CO -0.12 0.43 -0.03 2.35 -2.23 0.00 0.00 178.31 178.71 1x8j h TRP 214 N 0.74 0.10 -0.16 0.41 2.91 0.09 -0.03 115.95 120.01 1x8j h TRP 214 Ca 0.20 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 1x8j h TRP 214 Cb -0.09 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 1x8j h TRP 214 CO -0.04 0.15 0.06 1.49 -1.03 0.00 0.00 178.44 179.07 1x8j h GLU 215 N 0.10 0.24 -0.46 2.65 4.57 -0.09 -2.54 114.58 119.06 1x8j h GLU 215 Ca 0.03 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1x8j h GLU 215 Cb 0.13 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1x8j h GLU 215 CO 0.01 0.34 -0.02 0.52 -1.18 0.00 0.00 179.01 178.68 1x8j h MET 216 N 0.09 0.82 0.37 1.92 2.86 -1.05 -3.17 114.93 116.77 1x8j h MET 216 Ca 0.05 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1x8j h MET 216 Cb 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1x8j h MET 216 CO -0.00 0.88 -0.29 0.35 1.06 0.00 0.00 176.91 178.91 1x8j h PHE 217 N 0.66 -0.79 0.00 -0.22 3.57 -0.86 0.13 116.94 119.43 1x8j h PHE 217 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1x8j h PHE 217 Cb 0.53 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1x8j h PHE 217 CO 0.04 -0.41 0.00 -2.39 -2.23 0.00 0.00 178.31 173.32 1x8j n HIS 218 N -4.14 0.00 1.23 0.41 1.44 -0.97 -1.72 115.22 111.47 1x8j n HIS 218 Ca -0.08 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.76 1x8j n HIS 218 Cb 0.28 -0.41 0.34 0.00 0.12 0.00 0.00 29.99 30.32 1x8j n HIS 218 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x8j n ARG 219 N -1.41 1.96 -2.13 -1.40 1.74 -1.12 -4.95 116.66 109.36 1x8j n ARG 219 Ca 0.05 -1.40 -0.06 0.00 -0.77 0.00 0.00 57.85 55.66 1x8j n ARG 219 Cb 0.15 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1x8j n ARG 219 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x8j n GLY 220 N 1.25 0.11 0.75 -0.13 0.00 -0.70 -4.94 105.19 101.53 1x8j n GLY 220 Ca 0.17 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.63 1x8j n GLY 220 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x8j n LEU 221 N -0.94 3.52 -4.40 0.99 4.77 0.02 -4.43 117.00 116.53 1x8j n LEU 221 Ca -0.08 -3.27 -0.22 0.00 -0.03 0.00 0.00 56.01 52.42 1x8j n LEU 221 Cb 0.56 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1x8j n LEU 221 CO 0.09 0.86 -0.47 -0.47 -1.33 0.00 0.00 177.39 176.07 1x8j s TYR 222 N -2.97 2.03 -0.30 -1.77 5.04 -1.24 -4.83 117.35 113.30 1x8j s TYR 222 Ca 0.40 -0.43 -0.35 0.00 -2.44 0.00 0.00 57.07 54.25 1x8j s TYR 222 Cb 0.34 -0.93 -0.16 0.00 0.35 0.00 0.00 41.96 41.57 1x8j s TYR 222 CO 0.04 0.51 1.15 2.41 -1.34 0.00 0.00 175.55 178.33 1x8j n THR 223 N -0.28 0.00 -1.47 4.34 -1.04 -1.26 -1.18 114.28 113.39 1x8j n THR 223 Ca -0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.76 1x8j n THR 223 Cb 0.59 -0.30 -0.07 0.00 -1.82 0.00 0.00 70.33 68.73 1x8j n THR 223 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1x8j n LEU 224 N 2.67 -0.99 -4.99 -4.42 7.99 0.14 -4.94 117.00 112.45 1x8j n LEU 224 Ca 0.22 0.40 -0.20 0.00 -0.01 0.00 0.00 56.01 56.43 1x8j n LEU 224 Cb -0.02 -2.75 0.03 0.00 -0.11 0.00 0.00 43.42 40.57 1x8j n LEU 224 CO 0.65 -1.06 0.29 0.42 -1.51 0.00 0.00 177.39 176.19 1x8j s THR 225 N -2.41 2.74 -0.09 -5.08 -4.23 -0.32 -4.60 115.64 101.66 1x8j s THR 225 Ca 0.00 -0.80 -0.37 0.00 -1.18 0.00 0.00 61.69 59.34 1x8j s THR 225 Cb 0.00 -2.94 -0.15 0.00 1.34 0.00 0.00 72.50 70.75 1x8j s THR 225 CO 0.00 0.00 1.64 -2.65 -0.54 0.00 0.00 174.62 173.07 1x8j n PRO 226 N -2.18 1.47 0.10 3.99 -0.02 -1.26 -0.43 135.00 136.67 1x8j n PRO 226 Ca 0.09 0.54 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1x8j n PRO 226 Cb 0.60 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 1x8j n PRO 226 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1x8j h TYR 227 N 6.69 -0.59 -0.19 6.00 3.20 -1.85 -2.88 116.97 127.34 1x8j h TYR 227 Ca -0.47 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.37 1x8j h TYR 227 Cb 1.31 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 1x8j h TYR 227 CO 0.73 -0.32 -0.07 0.74 -1.64 0.00 0.00 178.16 177.60 1x8j h PHE 228 N -0.41 0.30 -0.60 -3.82 -1.00 -1.98 -2.06 116.94 107.37 1x8j h PHE 228 Ca 0.03 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1x8j h PHE 228 Cb 0.44 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 1x8j h PHE 228 CO -0.21 0.37 0.10 0.93 -1.61 0.00 0.00 178.31 177.89 1x8j h GLU 229 N 0.28 0.97 0.62 1.51 4.39 -1.96 0.40 114.58 120.80 1x8j h GLU 229 Ca 0.06 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1x8j h GLU 229 Cb 0.31 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1x8j h GLU 229 CO 0.01 0.89 -0.34 1.25 -1.16 0.00 0.00 179.01 179.67 1x8j h HIS 230 N 0.92 -0.89 -0.60 4.33 2.76 -1.17 -2.20 115.15 118.29 1x8j h HIS 230 Ca 0.19 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1x8j h HIS 230 Cb 0.39 0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 1x8j h HIS 230 CO 0.03 -0.53 0.40 0.28 -1.30 0.00 0.00 177.93 176.80 1x8j h VAL 231 N -0.89 1.16 -0.88 5.26 2.07 -1.35 -3.06 116.25 118.56 1x8j h VAL 231 Ca -0.08 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1x8j h VAL 231 Cb 0.71 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1x8j h VAL 231 CO 0.10 0.16 0.57 0.11 0.02 0.00 0.00 177.57 178.53 1x8j h LYS 232 N 0.82 0.95 -0.48 1.57 1.57 -0.74 0.20 116.57 120.46 1x8j h LYS 232 Ca 0.22 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1x8j h LYS 232 Cb -0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 1x8j h LYS 232 CO -0.05 0.63 0.30 0.93 -0.57 0.00 0.00 179.45 180.69 1x8j h GLU 233 N 0.98 0.65 -0.38 3.15 5.08 -1.29 -1.64 114.58 121.13 1x8j h GLU 233 Ca 0.38 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1x8j h GLU 233 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1x8j h GLU 233 CO -0.14 0.47 -0.38 0.00 -1.00 0.00 0.00 179.01 177.96 1x8j h ALA 234 N 1.14 0.62 -0.97 3.43 0.00 -1.42 -3.08 119.26 118.98 1x8j h ALA 234 Ca 0.17 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1x8j h ALA 234 Cb -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1x8j h ALA 234 CO -0.03 0.68 0.64 2.35 0.00 0.00 0.00 179.25 182.88 1x8j h TRP 235 N 0.74 1.18 0.00 0.00 2.91 -0.75 -1.40 115.95 118.64 1x8j h TRP 235 Ca 0.06 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 1x8j h TRP 235 Cb 0.96 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 29.21 1x8j h TRP 235 CO 0.06 0.67 -0.12 0.00 -1.03 0.00 0.00 178.44 178.02 1x8j h ALA 236 N 1.44 1.30 -0.66 2.65 0.00 -1.21 -2.01 119.26 120.76 1x8j h ALA 236 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x8j h ALA 236 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1x8j h ALA 236 CO -0.13 0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1x8j n LYS 237 N -3.66 3.07 0.22 0.00 4.76 -0.56 -4.56 118.16 117.43 1x8j n LYS 237 Ca -0.02 -2.68 0.14 0.00 -2.87 0.00 0.00 58.31 52.89 1x8j n LYS 237 Cb 0.23 -1.64 0.79 0.00 -1.84 0.00 0.00 35.03 32.57 1x8j n LYS 237 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1x8j h ARG 238 N 3.95 0.00 0.00 1.97 2.43 -0.95 -2.60 114.38 119.18 1x8j h ARG 238 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1x8j h ARG 238 Cb 1.12 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1x8j h ARG 238 CO 0.08 0.00 -0.80 1.12 -1.51 0.00 0.00 179.97 178.86 1x8j h HIS 239 N 0.00 0.00 -2.61 2.20 2.07 -1.82 -3.44 115.15 111.56 1x8j h HIS 239 Ca 0.06 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.98 1x8j h HIS 239 Cb 0.27 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.34 1x8j h HIS 239 CO 0.00 0.48 0.48 -3.47 -3.07 0.00 0.00 177.93 172.34 1x8j n ASP 240 N -3.08 2.32 0.25 3.10 -0.08 -0.98 -4.85 116.55 113.22 1x8j n ASP 240 Ca -0.02 1.16 0.17 0.00 -1.51 0.00 0.00 54.79 54.59 1x8j n ASP 240 Cb 0.75 -1.38 0.89 0.00 2.34 0.00 0.00 41.12 43.72 1x8j n ASP 240 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1x8j h PRO 241 N 3.55 0.00 -0.67 -0.67 0.11 -1.89 -2.21 132.00 130.22 1x8j h PRO 241 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1x8j h PRO 241 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1x8j h PRO 241 CO 0.71 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.59 1x8j n ASN 242 N -3.64 3.96 -4.15 -2.05 3.02 -1.26 -4.89 115.26 106.25 1x8j n ASN 242 Ca -0.00 -2.17 -0.29 0.00 -0.03 0.00 0.00 54.58 52.09 1x8j n ASN 242 Cb 0.26 -0.50 -0.17 0.00 -0.61 0.00 0.00 39.78 38.77 1x8j n ASN 242 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1x8j s MET 243 N -1.39 2.43 -0.35 3.52 1.75 -0.83 -0.74 119.30 123.69 1x8j s MET 243 Ca 0.46 -0.70 0.03 0.00 -1.25 0.00 0.00 55.69 54.23 1x8j s MET 243 Cb 0.26 -1.92 0.10 0.00 2.84 0.00 0.00 34.83 36.12 1x8j s MET 243 CO 0.28 0.16 0.09 -1.17 -0.65 0.00 0.00 175.02 173.72 1x8j s LEU 244 N 0.36 4.01 -0.25 4.11 2.96 0.42 -4.75 118.68 125.54 1x8j s LEU 244 Ca -0.15 -2.14 -0.25 0.00 -0.22 0.00 0.00 54.13 51.38 1x8j s LEU 244 Cb -0.16 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 1x8j s LEU 244 CO 0.06 -0.37 0.85 0.12 -1.32 0.00 0.00 176.35 175.69 1x8j s PHE 245 N 0.93 3.29 0.14 5.38 5.36 -1.26 -1.24 117.98 130.58 1x8j s PHE 245 Ca 0.12 1.12 0.07 0.00 -0.96 0.00 0.00 56.93 57.28 1x8j s PHE 245 Cb -0.20 -3.12 -0.04 0.00 -0.34 0.00 0.00 43.02 39.33 1x8j s PHE 245 CO -0.11 -0.44 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.54 1x8j s LEU 246 N 2.92 2.43 -0.12 6.12 1.43 -0.37 -4.98 118.68 126.11 1x8j s LEU 246 Ca 0.36 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1x8j s LEU 246 Cb -0.15 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1x8j s LEU 246 CO 0.08 -0.11 0.00 -0.36 0.23 0.00 0.00 176.35 176.19 1x8j s PHE 247 N -2.20 3.15 0.26 0.29 0.40 -1.26 -1.31 117.98 117.31 1x8j s PHE 247 Ca 0.12 0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1x8j s PHE 247 Cb -0.05 -1.90 0.48 0.00 0.51 0.00 0.00 43.02 42.07 1x8j s PHE 247 CO 0.04 0.27 1.81 -0.92 0.70 0.00 0.00 175.22 177.13 1x8j h TYR 248 N 5.89 0.96 -0.74 0.36 3.20 -0.65 -1.67 116.97 124.32 1x8j h TYR 248 Ca -0.43 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.62 1x8j h TYR 248 Cb 1.19 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 1x8j h TYR 248 CO 0.59 0.36 0.50 0.93 -1.64 0.00 0.00 178.16 178.90 1x8j h GLU 249 N 0.85 0.42 0.00 1.82 3.07 -1.92 -1.22 114.58 117.60 1x8j h GLU 249 Ca 0.45 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.24 1x8j h GLU 249 Cb 0.46 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1x8j h GLU 249 CO -0.27 0.28 -0.23 -0.44 -1.40 0.00 0.00 179.01 176.94 1x8j h ASP 250 N 0.43 0.00 -0.18 1.42 3.32 -1.69 -1.89 116.42 117.84 1x8j h ASP 250 Ca 0.36 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 1x8j h ASP 250 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1x8j h ASP 250 CO -0.12 0.23 -0.01 1.88 -1.72 0.00 0.00 179.24 179.50 1x8j h TYR 251 N 0.00 0.46 0.13 4.55 0.99 -1.28 0.15 116.97 121.96 1x8j h TYR 251 Ca -0.00 -0.04 -0.17 0.00 2.00 0.00 0.00 58.73 60.52 1x8j h TYR 251 Cb 0.58 -0.13 0.02 0.00 1.00 0.00 0.00 36.73 38.19 1x8j h TYR 251 CO 0.00 0.47 -0.74 -0.07 -0.00 0.00 0.00 178.16 177.82 1x8j h LEU 252 N 0.43 0.42 -0.80 3.88 3.38 -1.44 -2.69 115.31 118.49 1x8j h LEU 252 Ca 0.09 -0.96 -0.13 0.00 0.09 0.00 0.00 57.88 56.98 1x8j h LEU 252 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1x8j h LEU 252 CO 0.01 1.35 -0.54 0.11 0.09 0.00 0.00 178.44 179.47 1x8j h LYS 253 N -0.44 0.17 -0.42 1.13 1.57 -1.26 -3.40 116.57 113.91 1x8j h LYS 253 Ca -0.13 -0.10 -0.23 0.00 -1.87 0.00 0.00 60.65 58.32 1x8j h LYS 253 Cb 1.57 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 33.73 1x8j h LYS 253 CO 0.13 0.66 -0.54 -3.47 -0.57 0.00 0.00 179.45 175.67 1x8j n ASP 254 N -3.91 -2.81 -0.01 0.86 2.03 0.50 -5.01 116.55 108.20 1x8j n ASP 254 Ca -0.02 -3.16 -0.09 0.00 0.52 0.00 0.00 54.79 52.05 1x8j n ASP 254 Cb 0.56 1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 42.55 1x8j n ASP 254 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1x8j h LEU 255 N 4.28 -0.59 -0.78 -2.67 5.85 -1.56 -1.47 115.31 118.38 1x8j h LEU 255 Ca -0.08 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.90 1x8j h LEU 255 Cb 1.04 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.24 1x8j h LEU 255 CO 0.26 -0.23 0.32 -0.65 -0.34 0.00 0.00 178.44 177.80 1x8j h PRO 256 N -0.22 0.44 -0.75 5.25 0.11 -1.90 -0.61 132.00 134.32 1x8j h PRO 256 Ca 0.11 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1x8j h PRO 256 Cb 0.38 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1x8j h PRO 256 CO -0.29 0.29 0.32 0.78 -0.21 0.00 0.00 178.00 178.90 1x8j h GLY 257 N 0.46 1.17 1.30 -0.55 0.00 -1.73 -2.33 103.07 101.39 1x8j h GLY 257 Ca 0.44 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 1x8j h GLY 257 CO -0.42 0.57 -0.41 1.76 0.00 0.00 0.00 176.54 178.04 1x8j h SER 258 N 1.08 0.82 -0.74 0.19 0.02 -0.22 -2.93 113.55 111.76 1x8j h SER 258 Ca 0.25 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1x8j h SER 258 Cb 0.16 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1x8j h SER 258 CO -0.03 1.12 0.47 0.40 -1.14 0.00 0.00 176.83 177.66 1x8j h ILE 259 N 0.62 1.20 -0.37 3.27 2.04 -0.84 -1.12 117.51 122.30 1x8j h ILE 259 Ca 0.05 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1x8j h ILE 259 Cb 0.97 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1x8j h ILE 259 CO 0.09 0.20 0.23 0.00 0.00 0.00 0.00 178.15 178.68 1x8j h ALA 260 N 1.25 0.47 -0.79 1.87 0.00 -1.34 0.78 119.26 121.50 1x8j h ALA 260 Ca 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1x8j h ALA 260 Cb -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1x8j h ALA 260 CO -0.05 -0.10 0.51 0.00 0.00 0.00 0.00 179.25 179.61 1x8j h ARG 261 N 0.48 0.99 -0.27 0.00 3.08 -1.27 0.49 114.38 117.87 1x8j h ARG 261 Ca 0.14 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1x8j h ARG 261 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1x8j h ARG 261 CO -0.05 0.65 0.01 0.82 -1.07 0.00 0.00 179.97 180.34 1x8j h ILE 262 N 1.02 1.25 -0.20 2.04 2.04 -0.62 -0.27 117.51 122.77 1x8j h ILE 262 Ca 0.31 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1x8j h ILE 262 Cb -0.04 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1x8j h ILE 262 CO -0.09 0.28 0.06 0.00 0.00 0.00 0.00 178.15 178.39 1x8j h ALA 263 N 0.84 0.21 -0.64 1.87 0.00 -0.47 -1.54 119.26 119.52 1x8j h ALA 263 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x8j h ALA 263 Cb 0.40 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1x8j h ALA 263 CO 0.01 -0.37 0.34 -0.44 0.00 0.00 0.00 179.25 178.79 1x8j h ASP 264 N 0.15 0.81 -0.58 0.00 5.19 -0.81 -0.65 116.42 120.52 1x8j h ASP 264 Ca 0.09 -0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1x8j h ASP 264 Cb 0.06 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 1x8j h ASP 264 CO -0.10 0.69 0.39 0.15 -3.12 0.00 0.00 179.24 177.25 1x8j h PHE 265 N 0.88 0.52 -0.09 4.55 3.57 -0.69 -1.45 116.94 124.22 1x8j h PHE 265 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1x8j h PHE 265 Cb 0.07 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1x8j h PHE 265 CO -0.00 0.27 0.00 1.28 -2.23 0.00 0.00 178.31 177.63 1x8j n LEU 266 N -4.48 1.57 -0.77 0.59 4.77 -0.61 -4.94 117.00 113.14 1x8j n LEU 266 Ca 0.08 -0.59 -0.02 0.00 -0.03 0.00 0.00 56.01 55.46 1x8j n LEU 266 Cb 0.27 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1x8j n LEU 266 CO 0.34 0.30 0.02 0.61 -1.33 0.00 0.00 177.39 177.32 1x8j n GLY 267 N 1.15 0.81 2.96 -0.72 0.00 -0.55 -5.05 105.19 103.80 1x8j n GLY 267 Ca 0.18 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1x8j n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x8j s LYS 268 N -5.04 0.46 -0.28 1.61 -0.14 -0.33 -5.02 119.74 111.00 1x8j s LYS 268 Ca 0.04 -0.20 -0.04 0.00 -1.36 0.00 0.00 55.97 54.42 1x8j s LYS 268 Cb -0.02 -0.44 0.03 0.00 -1.68 0.00 0.00 37.83 35.71 1x8j s LYS 268 CO 0.06 0.12 0.01 0.15 -0.76 0.00 0.00 175.35 174.92 1x8j s LYS 269 N -0.11 2.82 0.16 1.68 -0.14 -1.26 -3.35 119.74 119.54 1x8j s LYS 269 Ca 0.02 -1.01 0.02 0.00 -1.36 0.00 0.00 55.97 53.64 1x8j s LYS 269 Cb -0.02 -3.19 -0.04 0.00 -1.68 0.00 0.00 37.83 32.90 1x8j s LYS 269 CO -0.00 -0.48 0.31 -0.51 -0.76 0.00 0.00 175.35 173.91 1x8j s LEU 270 N 1.38 4.31 0.32 3.17 1.43 -1.26 -5.10 118.68 122.93 1x8j s LEU 270 Ca -0.00 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.18 1x8j s LEU 270 Cb -0.18 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 1x8j s LEU 270 CO -0.01 0.03 0.72 -0.94 0.23 0.00 0.00 176.35 176.38 1x8j s SER 271 N -3.20 6.76 0.50 2.29 1.04 -1.26 -4.88 113.70 114.95 1x8j s SER 271 Ca 0.35 1.24 0.33 0.00 0.48 0.00 0.00 55.95 58.36 1x8j s SER 271 Cb -0.11 -2.36 1.45 0.00 0.10 0.00 0.00 66.02 65.10 1x8j s SER 271 CO 0.29 -0.20 1.77 -0.08 0.98 0.00 0.00 173.24 176.00 1x8j h GLU 272 N 2.26 0.09 -0.18 4.02 4.22 -1.99 0.57 114.58 123.57 1x8j h GLU 272 Ca -0.48 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 58.81 1x8j h GLU 272 Cb 1.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1x8j h GLU 272 CO 0.66 0.06 -0.46 0.93 -2.18 0.00 0.00 179.01 178.02 1x8j h GLU 273 N 0.10 0.64 -0.77 1.92 3.07 -1.99 -1.91 114.58 115.63 1x8j h GLU 273 Ca 0.61 -0.44 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 1x8j h GLU 273 Cb 2.19 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 30.13 1x8j h GLU 273 CO -0.10 1.06 0.31 1.96 -1.40 0.00 0.00 179.01 180.84 1x8j h GLN 274 N 0.31 1.16 -0.62 2.33 4.20 -0.29 0.42 115.11 122.63 1x8j h GLN 274 Ca -0.01 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1x8j h GLN 274 Cb 1.07 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 1x8j h GLN 274 CO 0.10 0.94 0.08 0.82 -0.67 0.00 0.00 178.83 180.11 1x8j h ILE 275 N 1.12 1.26 -0.44 2.54 2.04 -1.16 -1.49 117.51 121.38 1x8j h ILE 275 Ca 0.26 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1x8j h ILE 275 Cb 0.22 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1x8j h ILE 275 CO -0.02 0.38 0.09 1.56 0.00 0.00 0.00 178.15 180.16 1x8j h GLN 276 N 0.95 0.71 -0.82 2.37 1.08 -0.67 -0.65 115.11 118.08 1x8j h GLN 276 Ca 0.19 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1x8j h GLN 276 Cb 0.43 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1x8j h GLN 276 CO 0.01 0.72 0.47 -0.09 -0.95 0.00 0.00 178.83 179.00 1x8j h ARG 277 N 0.58 1.13 -0.21 1.46 2.43 -0.68 -1.64 114.38 117.43 1x8j h ARG 277 Ca 0.14 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1x8j h ARG 277 Cb 0.34 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1x8j h ARG 277 CO 0.00 0.81 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.11 1x8j h LEU 278 N 1.14 0.45 -0.84 3.80 3.38 -0.95 -2.33 115.31 119.96 1x8j h LEU 278 Ca 0.29 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1x8j h LEU 278 Cb -0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1x8j h LEU 278 CO -0.05 0.75 0.55 0.77 0.09 0.00 0.00 178.44 180.55 1x8j h SER 279 N 0.15 0.95 -0.84 -0.43 4.64 -0.82 -1.50 113.55 115.70 1x8j h SER 279 Ca 0.05 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1x8j h SER 279 Cb 0.57 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1x8j h SER 279 CO 0.03 0.68 0.38 -0.33 -0.87 0.00 0.00 176.83 176.73 1x8j h GLU 280 N 1.12 1.22 0.00 4.77 5.08 -1.28 -1.27 114.58 124.22 1x8j h GLU 280 Ca 0.31 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1x8j h GLU 280 Cb -0.11 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 1x8j h GLU 280 CO -0.07 0.95 -0.06 1.25 -1.00 0.00 0.00 179.01 180.07 1x8j h HIS 281 N 1.20 0.00 -0.43 4.33 2.76 -0.73 -1.55 115.15 120.73 1x8j h HIS 281 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1x8j h HIS 281 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1x8j h HIS 281 CO 0.02 0.06 0.00 1.28 -1.30 0.00 0.00 177.93 177.99 1x8j n LEU 282 N -4.40 2.58 -4.69 0.26 7.99 -0.50 -4.42 117.00 113.83 1x8j n LEU 282 Ca -0.03 -1.29 -0.44 0.00 -0.01 0.00 0.00 56.01 54.24 1x8j n LEU 282 Cb 0.14 -0.34 -0.04 0.00 -0.11 0.00 0.00 43.42 43.08 1x8j n LEU 282 CO 0.34 0.58 1.33 -3.20 -1.51 0.00 0.00 177.39 174.93 1x8j n ASN 283 N 0.75 3.58 -0.19 -1.43 2.85 -0.58 -4.76 115.26 115.47 1x8j n ASN 283 Ca 0.15 1.05 -0.04 0.00 -0.11 0.00 0.00 54.58 55.62 1x8j n ASN 283 Cb 0.44 -1.49 0.02 0.00 1.24 0.00 0.00 39.78 39.98 1x8j n ASN 283 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1x8j h PHE 284 N 7.01 -0.77 -0.27 1.20 3.57 -1.91 0.30 116.94 126.07 1x8j h PHE 284 Ca -0.45 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1x8j h PHE 284 Cb 1.23 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1x8j h PHE 284 CO 0.69 -0.36 0.18 0.93 -2.23 0.00 0.00 178.31 177.51 1x8j h GLU 285 N -0.14 0.35 -0.42 1.11 4.39 -1.98 0.33 114.58 118.22 1x8j h GLU 285 Ca 0.24 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1x8j h GLU 285 Cb 0.53 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1x8j h GLU 285 CO -0.65 0.23 0.23 -0.22 -1.16 0.00 0.00 179.01 177.44 1x8j h LYS 286 N 0.36 0.59 -0.36 2.33 3.64 -1.76 -2.18 116.57 119.19 1x8j h LYS 286 Ca 0.10 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1x8j h LYS 286 Cb -0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1x8j h LYS 286 CO -0.02 0.48 0.04 0.35 -2.27 0.00 0.00 179.45 178.03 1x8j h PHE 287 N 0.55 0.66 -0.06 1.91 3.57 -0.16 -1.91 116.94 121.50 1x8j h PHE 287 Ca 0.15 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1x8j h PHE 287 Cb 0.07 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1x8j h PHE 287 CO -0.02 0.68 0.08 -0.22 -2.23 0.00 0.00 178.31 176.61 1x8j h LYS 288 N 0.44 0.00 -0.38 1.11 3.64 -0.18 0.52 116.57 121.73 1x8j h LYS 288 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1x8j h LYS 288 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1x8j h LYS 288 CO 0.01 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 1x8j n ASN 289 N -3.65 3.21 -4.58 4.20 3.02 -0.84 -4.84 115.26 111.79 1x8j n ASN 289 Ca -0.01 -1.92 -0.43 0.00 -0.03 0.00 0.00 54.58 52.18 1x8j n ASN 289 Cb 0.17 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1x8j n ASN 289 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1x8j s ASN 290 N -1.23 6.54 0.63 6.41 3.84 0.17 -4.90 114.94 126.41 1x8j s ASN 290 Ca 0.33 0.26 0.35 0.00 0.21 0.00 0.00 52.86 54.02 1x8j s ASN 290 Cb 0.19 -2.53 2.02 0.00 -0.55 0.00 0.00 41.25 40.38 1x8j s ASN 290 CO 0.26 -1.28 2.24 1.23 -2.79 0.00 0.00 177.10 176.76 1x8j h GLY 291 N 11.30 0.00 2.00 1.21 0.00 -1.90 -1.77 103.07 113.91 1x8j h GLY 291 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1x8j h GLY 291 CO 1.13 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.67 1x8j h ALA 292 N 1.89 1.00 0.00 3.60 0.00 -1.88 -3.37 119.26 120.50 1x8j h ALA 292 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x8j h ALA 292 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1x8j h ALA 292 CO -0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 1x8j n VAL 293 N -2.91 0.00 1.28 0.00 0.24 -0.79 -1.28 118.33 114.87 1x8j n VAL 293 Ca 0.03 -0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.12 1x8j n VAL 293 Cb 0.40 1.04 0.42 0.00 -1.47 0.00 0.00 33.84 34.23 1x8j n VAL 293 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1x8j n ASN 294 N -0.60 0.98 -3.55 -1.34 0.23 -0.73 -4.93 115.26 105.33 1x8j n ASN 294 Ca 0.00 -0.89 -0.26 0.00 -0.53 0.00 0.00 54.58 52.90 1x8j n ASN 294 Cb 0.01 0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1x8j n ASN 294 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1x8j n MET 295 N -0.64 -3.86 0.25 -3.83 2.81 -1.26 -4.41 117.12 106.19 1x8j n MET 295 Ca 0.13 0.52 0.15 0.00 -1.81 0.00 0.00 57.70 56.68 1x8j n MET 295 Cb 0.34 -5.27 0.45 0.00 -0.71 0.00 0.00 33.22 28.03 1x8j n MET 295 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1x8j h GLU 296 N -1.27 0.00 0.00 0.03 4.39 -1.92 -2.55 114.58 113.26 1x8j h GLU 296 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1x8j h GLU 296 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1x8j h GLU 296 CO 0.59 0.00 0.00 0.38 -1.16 0.00 0.00 179.01 178.82 1x8j h ASP 297 N 0.00 0.00 0.46 1.42 2.03 -1.89 0.16 116.42 118.60 1x8j h ASP 297 Ca 0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 1x8j h ASP 297 Cb 0.73 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.22 1x8j h ASP 297 CO 0.00 0.00 -0.37 1.88 -1.03 0.00 0.00 179.24 179.72 1x8j h TYR 298 N 0.00 0.00 -0.18 4.15 -1.99 -1.84 -2.68 116.97 114.44 1x8j h TYR 298 Ca 0.00 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1x8j h TYR 298 Cb 0.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1x8j h TYR 298 CO 0.00 0.37 -0.42 -0.09 -0.00 0.00 0.00 178.16 178.02 1x8j h ARG 299 N 0.00 0.42 0.00 4.88 2.43 -0.85 -1.85 114.38 119.40 1x8j h ARG 299 Ca -0.00 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 1x8j h ARG 299 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1x8j h ARG 299 CO 0.05 0.77 -0.45 0.93 -1.51 0.00 0.00 179.97 179.76 1x8j h GLU 300 N 0.35 0.00 -0.06 0.20 5.08 -1.48 -2.00 114.58 116.66 1x8j h GLU 300 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1x8j h GLU 300 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1x8j h GLU 300 CO 0.07 0.45 -0.51 0.82 -1.00 0.00 0.00 179.01 178.84 1x8j h ILE 301 N 0.00 1.36 0.00 3.13 2.04 -1.13 -3.42 117.51 119.49 1x8j h ILE 301 Ca -0.00 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1x8j h ILE 301 Cb 0.83 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1x8j h ILE 301 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.34 1x8j n GLY 302 N 0.02 1.23 0.72 5.37 0.00 -0.75 -1.83 105.19 109.95 1x8j n GLY 302 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1x8j n GLY 302 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1x8j n ILE 303 N -1.49 1.38 -4.61 -0.61 -5.35 -1.13 -4.85 119.36 102.69 1x8j n ILE 303 Ca 0.00 -1.26 -0.34 0.00 -0.27 0.00 0.00 62.75 60.89 1x8j n ILE 303 Cb 0.00 0.28 -0.11 0.00 -1.74 0.00 0.00 39.64 38.06 1x8j n ILE 303 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1x8j s LEU 304 N -1.54 3.15 0.42 7.28 1.43 -1.26 -4.63 118.68 123.53 1x8j s LEU 304 Ca 0.29 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 1x8j s LEU 304 Cb 0.19 -1.70 -0.10 0.00 0.03 0.00 0.00 46.19 44.60 1x8j s LEU 304 CO 0.14 0.35 0.97 0.00 0.23 0.00 0.00 176.35 178.04 1x8j s ALA 305 N -0.84 3.04 0.38 4.21 0.00 -0.19 -4.96 121.76 123.40 1x8j s ALA 305 Ca 0.13 0.48 -0.27 0.00 0.00 0.00 0.00 51.96 52.29 1x8j s ALA 305 Cb -0.11 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 1x8j s ALA 305 CO 0.02 0.04 1.37 -0.25 0.00 0.00 0.00 175.76 176.94 1x8j n ASP 306 N -0.46 3.16 -3.14 0.00 8.00 -1.26 -3.11 116.55 119.72 1x8j n ASP 306 Ca 0.06 1.19 -0.22 0.00 0.71 0.00 0.00 54.79 56.54 1x8j n ASP 306 Cb 0.53 -1.55 0.06 0.00 -0.02 0.00 0.00 41.12 40.14 1x8j n ASP 306 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x8j n GLY 307 N 0.64 -0.46 3.03 0.44 0.00 -1.26 -5.01 105.19 102.58 1x8j n GLY 307 Ca 0.04 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1x8j n GLY 307 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x8j s GLU 308 N -5.95 0.24 0.05 1.61 0.41 -1.18 -5.07 118.70 108.80 1x8j s GLU 308 Ca 0.43 0.01 -0.05 0.00 -0.41 0.00 0.00 54.97 54.95 1x8j s GLU 308 Cb -0.19 0.11 -0.02 0.00 -1.78 0.00 0.00 34.13 32.25 1x8j s GLU 308 CO 0.53 -0.04 0.09 -1.01 -0.49 0.00 0.00 175.26 174.33 1x8j s HIS 309 N -0.33 0.26 0.11 1.61 3.76 -1.26 -4.83 115.29 114.60 1x8j s HIS 309 Ca -0.04 -0.64 -0.16 0.00 -0.15 0.00 0.00 55.06 54.06 1x8j s HIS 309 Cb -0.03 -0.18 -0.05 0.00 1.11 0.00 0.00 32.58 33.44 1x8j s HIS 309 CO 0.00 -0.41 1.55 0.74 -0.85 0.00 0.00 174.74 175.78 1x8j h PHE 310 N 3.36 0.65 -3.21 1.40 -1.00 -1.95 -3.35 116.94 112.84 1x8j h PHE 310 Ca -0.33 -0.11 -0.73 0.00 2.81 0.00 0.00 57.97 59.60 1x8j h PHE 310 Cb 1.18 -0.17 -0.22 0.00 3.61 0.00 0.00 35.95 40.35 1x8j h PHE 310 CO 0.52 0.71 -0.22 0.42 -1.61 0.00 0.00 178.31 178.13 1x8j s ILE 311 N -5.00 5.15 0.00 -0.55 1.01 -1.26 -4.99 121.20 115.56 1x8j s ILE 311 Ca -0.13 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1x8j s ILE 311 Cb 0.09 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1x8j s ILE 311 CO 0.77 -0.73 0.00 -1.14 0.00 0.00 0.00 174.94 173.85 1x8j n ARG 312 N 5.43 0.00 -0.09 2.79 0.63 -1.26 -4.93 116.66 119.23 1x8j n ARG 312 Ca -0.12 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.71 1x8j n ARG 312 Cb 0.43 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.23 1x8j n ARG 312 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x8j n LYS 313 N 0.00 1.01 -3.03 -0.14 4.76 -1.26 -5.04 118.16 114.46 1x8j n LYS 313 Ca 0.00 0.05 -0.19 0.00 -2.87 0.00 0.00 58.31 55.30 1x8j n LYS 313 Cb 0.00 -1.40 0.04 0.00 -1.84 0.00 0.00 35.03 31.83 1x8j n LYS 313 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x8j n GLY 314 N 2.27 -0.29 3.52 0.72 0.00 -1.26 -5.02 105.19 105.14 1x8j n GLY 314 Ca -0.30 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1x8j n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x8j s LYS 315 N -5.66 1.77 -0.01 1.61 -0.14 -1.26 -5.07 119.74 110.99 1x8j s LYS 315 Ca 0.32 -1.92 0.06 0.00 -1.36 0.00 0.00 55.97 53.07 1x8j s LYS 315 Cb -0.14 -1.58 -0.03 0.00 -1.68 0.00 0.00 37.83 34.41 1x8j s LYS 315 CO 0.39 0.11 -0.19 0.00 -0.76 0.00 0.00 175.35 174.90 1x8j s ALA 316 N -2.71 2.51 0.00 5.17 0.00 -1.26 -4.67 121.76 120.80 1x8j s ALA 316 Ca 0.32 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1x8j s ALA 316 Cb 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1x8j s ALA 316 CO 0.16 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.88 1x8j n GLY 317 N 2.07 1.36 0.00 0.00 0.00 -1.26 -4.93 105.19 102.44 1x8j n GLY 317 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1x8j n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8j h TRP 319 N 0.00 0.00 0.00 0.00 5.08 -1.91 -2.22 115.95 116.89 1x8j h TRP 319 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1x8j h TRP 319 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 1x8j h TRP 319 CO 0.00 0.04 0.00 0.00 -1.28 0.00 0.00 178.44 177.20 1x8j h ARG 320 N 0.00 0.00 -0.01 0.12 3.08 -1.84 -0.28 114.38 115.45 1x8j h ARG 320 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x8j h ARG 320 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1x8j h ARG 320 CO 0.01 0.00 -0.10 -0.25 -1.07 0.00 0.00 179.97 178.56 1x8j n ASP 321 N -2.98 0.76 -0.00 7.04 9.92 -0.84 -4.03 116.55 126.43 1x8j n ASP 321 Ca -0.01 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1x8j n ASP 321 Cb 0.18 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1x8j n ASP 321 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1x8j n TYR 322 N -0.63 0.00 -3.65 1.24 4.02 -0.19 -5.02 117.16 112.92 1x8j n TYR 322 Ca 0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.70 1x8j n TYR 322 Cb 0.29 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.53 1x8j n TYR 322 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1x8j s PHE 323 N -1.72 3.41 0.62 -0.72 0.40 -0.75 -4.90 117.98 114.32 1x8j s PHE 323 Ca -0.00 0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 56.69 1x8j s PHE 323 Cb 0.00 -2.24 0.04 0.00 0.51 0.00 0.00 43.02 41.33 1x8j s PHE 323 CO 0.00 0.24 0.90 0.16 0.70 0.00 0.00 175.22 177.22 1x8j s ASP 324 N 0.50 5.15 0.25 1.36 3.84 -1.26 -4.75 116.67 121.76 1x8j s ASP 324 Ca 0.11 0.35 -0.12 0.00 -0.00 0.00 0.00 52.55 52.89 1x8j s ASP 324 Cb -0.12 -1.17 0.35 0.00 -1.38 0.00 0.00 42.92 40.60 1x8j s ASP 324 CO 0.01 -1.31 1.56 1.05 -0.00 0.00 0.00 175.17 176.47 1x8j h GLU 325 N -0.27 -0.01 0.43 2.11 9.09 -1.99 0.49 114.58 124.43 1x8j h GLU 325 Ca -0.44 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.95 1x8j h GLU 325 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1x8j h GLU 325 CO 0.58 -0.01 -0.21 1.49 0.05 0.00 0.00 179.01 180.92 1x8j h GLU 326 N -0.01 -0.56 -0.99 1.06 4.81 -2.00 -2.51 114.58 114.38 1x8j h GLU 326 Ca 0.41 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.80 1x8j h GLU 326 Cb 0.66 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.08 1x8j h GLU 326 CO -0.98 -0.35 0.61 0.52 -0.73 0.00 0.00 179.01 178.08 1x8j h MET 327 N -0.61 0.92 -0.34 1.92 2.86 -1.67 -0.66 114.93 117.35 1x8j h MET 327 Ca -0.06 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1x8j h MET 327 Cb 0.46 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1x8j h MET 327 CO 0.10 0.61 0.19 1.15 1.06 0.00 0.00 176.91 180.01 1x8j h THR 328 N 0.95 1.01 -0.43 2.22 2.02 -0.74 -0.07 112.91 117.87 1x8j h THR 328 Ca 0.50 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.42 1x8j h THR 328 Cb 0.53 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1x8j h THR 328 CO -0.28 0.07 -0.24 0.11 0.37 0.00 0.00 175.52 175.54 1x8j h LYS 329 N 0.38 0.92 -0.52 6.66 1.57 -0.93 -1.47 116.57 123.18 1x8j h LYS 329 Ca 0.14 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1x8j h LYS 329 Cb 0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1x8j h LYS 329 CO -0.08 1.07 0.33 0.37 -0.57 0.00 0.00 179.45 180.57 1x8j h GLN 330 N 0.75 0.70 -0.00 3.15 4.15 -0.86 -0.57 115.11 122.42 1x8j h GLN 330 Ca 0.09 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.25 1x8j h GLN 330 Cb 0.82 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 1x8j h GLN 330 CO 0.07 0.48 -0.91 0.00 -1.93 0.00 0.00 178.83 176.54 1x8j h ALA 331 N 1.65 0.44 -0.06 3.38 0.00 -0.79 -2.41 119.26 121.46 1x8j h ALA 331 Ca 0.19 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1x8j h ALA 331 Cb -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1x8j h ALA 331 CO -0.04 0.85 -0.00 1.49 0.00 0.00 0.00 179.25 181.55 1x8j h GLU 332 N 0.19 0.11 -0.44 0.00 4.81 -0.54 -1.07 114.58 117.64 1x8j h GLU 332 Ca -0.06 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1x8j h GLU 332 Cb 1.53 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.87 1x8j h GLU 332 CO 0.15 0.39 0.25 -0.22 -0.73 0.00 0.00 179.01 178.84 1x8j h LYS 333 N -0.18 0.48 -0.07 1.92 3.64 -1.18 0.55 116.57 121.72 1x8j h LYS 333 Ca 0.02 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1x8j h LYS 333 Cb 0.34 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1x8j h LYS 333 CO 0.00 0.32 -0.03 2.35 -2.27 0.00 0.00 179.45 179.82 1x8j h TRP 334 N 0.49 -0.07 -0.57 1.91 7.01 -1.32 0.12 115.95 123.52 1x8j h TRP 334 Ca 0.18 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1x8j h TRP 334 Cb 0.04 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 1x8j h TRP 334 CO -0.08 -0.05 0.24 0.82 -2.79 0.00 0.00 178.44 176.57 1x8j h ILE 335 N -0.02 1.22 -0.23 2.65 2.04 -0.99 -2.31 117.51 119.87 1x8j h ILE 335 Ca 0.04 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1x8j h ILE 335 Cb 0.08 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1x8j h ILE 335 CO -0.09 0.27 -0.26 0.50 0.00 0.00 0.00 178.15 178.56 1x8j h LYS 336 N 0.79 -0.27 -0.83 2.37 1.63 -0.37 -0.93 116.57 118.96 1x8j h LYS 336 Ca 0.19 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1x8j h LYS 336 Cb 0.19 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1x8j h LYS 336 CO -0.02 -0.18 0.50 -0.44 -3.45 0.00 0.00 179.45 175.86 1x8j h ASP 337 N -0.28 1.00 1.47 4.20 3.45 -0.57 -2.45 116.42 123.22 1x8j h ASP 337 Ca 0.13 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1x8j h ASP 337 Cb 0.48 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1x8j h ASP 337 CO -0.39 0.77 0.00 0.78 -1.57 0.00 0.00 179.24 178.83 1x8j h ASN 338 N 1.14 0.00 -0.01 6.45 4.21 -0.95 -3.14 115.58 123.28 1x8j h ASN 338 Ca 0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.81 1x8j h ASN 338 Cb -0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 1x8j h ASN 338 CO -0.06 0.00 -0.22 0.18 -1.29 0.00 0.00 177.43 176.05 1x8j n LEU 339 N -2.48 2.46 -4.71 1.61 4.77 -0.40 -4.91 117.00 113.35 1x8j n LEU 339 Ca 0.05 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1x8j n LEU 339 Cb 0.42 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1x8j n LEU 339 CO 0.30 0.43 1.07 -0.75 -1.33 0.00 0.00 177.39 177.10 1x8j s LYS 340 N -2.23 4.32 -0.92 3.23 2.20 -0.94 -3.40 119.74 122.00 1x8j s LYS 340 Ca 0.24 2.02 -0.01 0.00 -0.36 0.00 0.00 55.97 57.86 1x8j s LYS 340 Cb 0.19 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1x8j s LYS 340 CO 0.43 -0.47 0.78 -0.25 -0.36 0.00 0.00 175.35 175.48 1x8j n ASP 341 N 4.42 -2.60 -3.46 1.43 8.00 -1.26 -5.03 116.55 118.04 1x8j n ASP 341 Ca 0.12 -0.46 -0.14 0.00 0.71 0.00 0.00 54.79 55.03 1x8j n ASP 341 Cb 0.43 -3.97 -0.03 0.00 -0.02 0.00 0.00 41.12 37.52 1x8j n ASP 341 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1x8j s THR 342 N -3.27 0.00 -2.44 -3.53 -4.23 -1.22 -5.04 115.64 95.91 1x8j s THR 342 Ca 0.08 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.81 1x8j s THR 342 Cb -0.03 -1.00 0.43 0.00 1.34 0.00 0.00 72.50 73.23 1x8j s THR 342 CO 0.55 0.00 1.43 -0.90 -0.54 0.00 0.00 174.62 175.16 1x8j n ASP 343 N 0.08 3.00 -4.72 3.99 5.75 -1.26 -4.94 116.55 118.45 1x8j n ASP 343 Ca -0.17 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 1x8j n ASP 343 Cb 0.62 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.47 1x8j n ASP 343 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1x8j s LEU 344 N -1.51 4.37 -0.06 -2.12 2.96 -1.26 -5.00 118.68 116.05 1x8j s LEU 344 Ca 0.37 2.65 -0.07 0.00 -0.22 0.00 0.00 54.13 56.86 1x8j s LEU 344 Cb 0.21 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.33 1x8j s LEU 344 CO 0.30 -0.85 0.18 -0.13 -1.32 0.00 0.00 176.35 174.53 1x8j s ARG 345 N 1.17 0.25 -0.06 1.98 1.81 -1.26 -4.96 118.95 117.89 1x8j s ARG 345 Ca 0.71 0.18 -0.14 0.00 -1.72 0.00 0.00 55.73 54.76 1x8j s ARG 345 Cb -0.45 0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.12 1x8j s ARG 345 CO 0.31 -0.04 0.36 0.71 -0.68 0.00 0.00 175.30 175.97 1x8j s TYR 346 N -0.07 3.64 0.19 -0.53 1.51 -1.26 -5.01 117.35 115.82 1x8j s TYR 346 Ca -0.02 0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 56.76 1x8j s TYR 346 Cb -0.02 -2.28 0.19 0.00 -0.11 0.00 0.00 41.96 39.73 1x8j s TYR 346 CO 0.00 0.53 1.67 -1.35 -1.11 0.00 0.00 175.55 175.30 1x8j h PRO 347 N 5.31 0.08 0.00 -1.71 0.11 -2.00 -2.56 132.00 131.24 1x8j h PRO 347 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x8j h PRO 347 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1x8j h PRO 347 CO 0.65 0.06 0.00 -2.95 -0.21 0.00 0.00 178.00 175.55 1x8j h ASN 348 N 0.09 0.00 0.00 -2.05 -1.07 -1.97 -3.53 115.58 107.05 1x8j h ASN 348 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.62 1x8j h ASN 348 Cb 0.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.64 1x8j h ASN 348 CO -0.45 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.28