#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fml s PRO 8 N 0.00 2.62 -0.37 3.23 0.04 -1.26 -4.87 135.00 134.39 1fml s PRO 8 Ca 0.00 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 1fml s PRO 8 Cb 0.00 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1fml s PRO 8 CO 0.00 -1.40 1.75 0.12 0.04 0.00 0.00 177.00 177.51 1fml s PHE 9 N -2.27 1.87 -2.00 0.56 5.36 -1.26 -4.88 117.98 115.37 1fml s PHE 9 Ca 0.69 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1fml s PHE 9 Cb -0.22 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.31 1fml s PHE 9 CO 0.43 -2.74 0.49 -0.35 -1.46 0.00 0.00 175.22 171.58 1fml n PRO 10 N 8.46 0.49 -4.73 10.12 -0.04 -1.26 -4.81 135.00 143.23 1fml n PRO 10 Ca 0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.39 1fml n PRO 10 Cb 0.48 -1.00 -0.14 0.00 -0.04 0.00 0.00 33.50 32.79 1fml n PRO 10 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1fml s TYR 11 N -2.00 2.18 0.54 0.54 4.12 -1.26 -5.01 117.35 116.46 1fml s TYR 11 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 57.07 56.73 1fml s TYR 11 Cb 0.00 -1.28 0.02 0.00 -1.52 0.00 0.00 41.96 39.18 1fml s TYR 11 CO 0.00 0.16 0.25 -1.21 0.02 0.00 0.00 175.55 174.77 1fml s GLU 12 N -1.40 2.23 0.06 -0.62 2.02 -1.26 -4.89 118.70 114.83 1fml s GLU 12 Ca 0.11 -2.18 -0.04 0.00 0.02 0.00 0.00 54.97 52.88 1fml s GLU 12 Cb -0.10 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 1fml s GLU 12 CO 0.03 -0.54 0.07 -0.59 0.02 0.00 0.00 175.26 174.25 1fml s PHE 13 N -2.82 0.32 0.05 1.61 -0.12 -1.26 -2.09 117.98 113.66 1fml s PHE 13 Ca 0.22 -0.76 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 1fml s PHE 13 Cb -0.01 -0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 1fml s PHE 13 CO 0.14 -0.41 -0.10 -0.98 -0.05 0.00 0.00 175.22 173.82 1fml s ARG 14 N -3.45 0.62 0.98 1.99 1.70 -1.02 -4.99 118.95 114.79 1fml s ARG 14 Ca 0.02 -0.78 -0.12 0.00 -0.47 0.00 0.00 55.73 54.38 1fml s ARG 14 Cb 0.04 -0.47 0.18 0.00 -0.57 0.00 0.00 34.95 34.13 1fml s ARG 14 CO -0.08 0.10 1.10 -1.21 -1.08 0.00 0.00 175.30 174.12 1fml s GLU 15 N -1.53 0.55 0.43 3.89 0.41 -1.26 -2.39 118.70 118.79 1fml s GLU 15 Ca -0.07 0.48 -0.22 0.00 -0.41 0.00 0.00 54.97 54.76 1fml s GLU 15 Cb -0.10 -1.75 -0.10 0.00 -1.78 0.00 0.00 34.13 30.40 1fml s GLU 15 CO 0.01 -2.64 0.97 -0.51 -0.49 0.00 0.00 175.26 172.60 1fml s LEU 16 N -6.39 3.98 0.79 1.80 1.43 -1.26 -4.81 118.68 114.22 1fml s LEU 16 Ca 0.65 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 55.41 1fml s LEU 16 Cb -0.18 -4.47 0.10 0.00 0.03 0.00 0.00 46.19 41.67 1fml s LEU 16 CO 0.57 -0.40 1.14 0.54 0.23 0.00 0.00 176.35 178.42 1fml s ASN 17 N -2.05 4.35 0.18 2.29 2.20 -1.26 -4.77 114.94 115.88 1fml s ASN 17 Ca 0.61 0.50 -0.16 0.00 -0.94 0.00 0.00 52.86 52.88 1fml s ASN 17 Cb -0.12 -0.96 0.14 0.00 -2.00 0.00 0.00 41.25 38.31 1fml s ASN 17 CO 0.16 -1.95 1.65 -0.65 -2.94 0.00 0.00 177.10 173.38 1fml h PRO 18 N -0.97 -0.01 0.14 3.55 0.11 -1.98 -0.41 132.00 132.44 1fml h PRO 18 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fml h PRO 18 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1fml h PRO 18 CO 0.57 -0.00 -0.21 0.93 -0.21 0.00 0.00 178.00 179.08 1fml h GLU 19 N -0.01 -0.36 -0.70 1.05 5.08 -2.00 0.42 114.58 118.07 1fml h GLU 19 Ca 0.23 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 1fml h GLU 19 Cb 0.35 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.55 1fml h GLU 19 CO -0.49 -0.24 -0.16 0.93 -1.00 0.00 0.00 179.01 178.05 1fml h GLU 20 N -0.37 0.01 -0.50 2.33 5.08 -1.90 0.24 114.58 119.46 1fml h GLU 20 Ca -0.02 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1fml h GLU 20 Cb 0.34 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1fml h GLU 20 CO -0.06 0.00 0.18 0.22 -1.00 0.00 0.00 179.01 178.35 1fml h ASP 21 N 0.01 0.66 -0.24 1.42 3.58 -0.83 -2.03 116.42 118.99 1fml h ASP 21 Ca 0.34 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1fml h ASP 21 Cb 0.52 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1fml h ASP 21 CO -0.71 0.62 0.15 0.50 -2.88 0.00 0.00 179.24 176.92 1fml h LYS 22 N 0.72 0.31 -0.09 0.28 3.64 0.12 -1.55 116.57 120.00 1fml h LYS 22 Ca 0.17 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1fml h LYS 22 Cb 0.18 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1fml h LYS 22 CO -0.01 0.23 0.01 1.25 -2.27 0.00 0.00 179.45 178.66 1fml h LEU 23 N 0.31 0.16 -0.23 5.20 5.85 -1.25 -3.01 115.31 122.33 1fml h LEU 23 Ca 0.09 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1fml h LEU 23 Cb -0.01 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1fml h LEU 23 CO -0.02 0.40 -0.03 0.58 -0.34 0.00 0.00 178.44 179.03 1fml h VAL 24 N -0.09 0.80 0.00 1.05 2.07 -1.29 -0.29 116.25 118.50 1fml h VAL 24 Ca 0.03 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1fml h VAL 24 Cb 0.31 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1fml h VAL 24 CO 0.00 0.01 0.00 0.11 0.02 0.00 0.00 177.57 177.71 1fml h LYS 25 N 0.03 0.00 -0.00 1.57 1.79 -1.30 0.18 116.57 118.83 1fml h LYS 25 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1fml h LYS 25 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1fml h LYS 25 CO -0.21 0.00 -0.03 0.00 -1.08 0.00 0.00 179.45 178.12 1fml n ALA 26 N -1.84 2.51 0.00 3.86 0.00 -0.12 -1.76 120.51 123.16 1fml n ALA 26 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1fml n ALA 26 Cb 0.08 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1fml n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fml n ASN 27 N -1.33 0.35 -1.49 0.00 3.02 0.28 -4.63 115.26 111.46 1fml n ASN 27 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 1fml n ASN 27 Cb 0.28 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.58 1fml n ASN 27 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1fml n LEU 28 N -2.94 4.60 0.02 3.41 4.32 0.35 -0.27 117.00 126.50 1fml n LEU 28 Ca 0.00 -4.16 -0.12 0.00 -0.02 0.00 0.00 56.01 51.71 1fml n LEU 28 Cb 0.48 -0.57 -0.07 0.00 -1.62 0.00 0.00 43.42 41.64 1fml n LEU 28 CO 0.00 1.57 0.84 1.23 -1.22 0.00 0.00 177.39 179.81 1fml h GLY 29 N 1.47 0.03 2.00 -0.72 0.00 -1.47 -2.74 103.07 101.64 1fml h GLY 29 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1fml h GLY 29 CO 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 176.54 177.13 1fml h ALA 30 N 0.92 1.36 -2.51 3.60 0.00 -1.86 -3.43 119.26 117.34 1fml h ALA 30 Ca 0.01 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1fml h ALA 30 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1fml h ALA 30 CO -0.00 0.02 0.44 0.12 0.00 0.00 0.00 179.25 179.82 1fml s PHE 31 N -4.45 3.63 0.39 0.00 5.36 -1.03 -4.91 117.98 116.96 1fml s PHE 31 Ca -0.05 1.60 0.07 0.00 -0.96 0.00 0.00 56.93 57.60 1fml s PHE 31 Cb 0.14 -3.21 0.78 0.00 -0.34 0.00 0.00 43.02 40.39 1fml s PHE 31 CO 0.52 -0.39 1.98 -1.35 -1.46 0.00 0.00 175.22 174.52 1fml h PRO 32 N 6.18 0.48 -6.25 10.12 0.11 -1.86 -3.43 132.00 137.35 1fml h PRO 32 Ca -0.42 -0.06 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 1fml h PRO 32 Cb 1.21 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1fml h PRO 32 CO 0.75 0.41 0.23 0.99 -0.21 0.00 0.00 178.00 180.18 1fml s THR 33 N -5.20 4.92 0.29 -1.15 2.01 -1.26 -5.04 115.64 110.20 1fml s THR 33 Ca -0.08 1.76 0.06 0.00 0.31 0.00 0.00 61.69 63.75 1fml s THR 33 Cb 0.16 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1fml s THR 33 CO 0.74 0.22 0.34 0.42 -0.69 0.00 0.00 174.62 175.66 1fml s THR 34 N 0.78 4.38 0.46 -0.82 -4.23 -1.26 -4.98 115.64 109.96 1fml s THR 34 Ca 0.44 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1fml s THR 34 Cb -0.20 -3.49 0.03 0.00 1.34 0.00 0.00 72.50 70.18 1fml s THR 34 CO 0.23 -0.25 0.60 -0.31 -0.54 0.00 0.00 174.62 174.36 1fml s TYR 35 N -2.14 2.47 -0.22 3.99 1.51 -1.26 -1.23 117.35 120.47 1fml s TYR 35 Ca 0.38 -0.49 -0.21 0.00 -1.01 0.00 0.00 57.07 55.75 1fml s TYR 35 Cb -0.08 -2.32 0.06 0.00 -0.11 0.00 0.00 41.96 39.51 1fml s TYR 35 CO 0.28 -0.56 0.60 0.08 -1.11 0.00 0.00 175.55 174.84 1fml s VAL 36 N -2.44 -0.00 -0.24 0.71 1.01 -0.54 -4.69 120.40 114.22 1fml s VAL 36 Ca 0.56 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.31 1fml s VAL 36 Cb -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1fml s VAL 36 CO 0.34 0.00 0.73 -0.54 0.00 0.00 0.00 175.10 175.63 1fml s LYS 37 N 0.32 4.16 -0.11 2.72 -0.14 -1.01 -1.61 119.74 124.09 1fml s LYS 37 Ca -0.00 0.76 -0.03 0.00 -1.36 0.00 0.00 55.97 55.34 1fml s LYS 37 Cb -0.04 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.44 1fml s LYS 37 CO 0.01 -0.44 0.02 -1.17 -0.76 0.00 0.00 175.35 173.01 1fml s LEU 38 N 2.59 3.69 0.19 3.17 2.96 0.19 -2.42 118.68 129.05 1fml s LEU 38 Ca 0.31 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1fml s LEU 38 Cb -0.15 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1fml s LEU 38 CO 0.08 0.34 0.00 0.61 -1.32 0.00 0.00 176.35 176.06 1fml n GLY 39 N 2.41 -2.03 0.28 7.98 0.00 -0.89 -1.05 105.19 111.89 1fml n GLY 39 Ca -0.18 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 44.53 1fml n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fml h PRO 40 N -0.58 0.40 -0.00 1.61 0.13 -1.95 -0.56 132.00 131.05 1fml h PRO 40 Ca -0.02 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1fml h PRO 40 Cb 0.57 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1fml h PRO 40 CO 0.02 0.34 -0.07 1.63 -0.23 0.00 0.00 178.00 179.68 1fml n LYS 41 N -4.42 0.15 -3.30 0.86 5.02 -1.26 -4.94 118.16 110.27 1fml n LYS 41 Ca 0.01 -0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 1fml n LYS 41 Cb 0.13 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 1fml n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fml n GLY 42 N 1.44 -0.28 3.75 0.72 0.00 -0.22 -4.68 105.19 105.91 1fml n GLY 42 Ca 0.09 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1fml n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fml s TYR 43 N -3.31 2.88 -0.29 1.61 1.51 -0.21 -4.43 117.35 115.11 1fml s TYR 43 Ca 0.12 0.90 -0.29 0.00 -1.01 0.00 0.00 57.07 56.79 1fml s TYR 43 Cb -0.05 -3.95 0.01 0.00 -0.11 0.00 0.00 41.96 37.85 1fml s TYR 43 CO 0.64 -3.15 1.21 -1.64 -1.11 0.00 0.00 175.55 171.50 1fml s MET 44 N -0.43 4.00 0.05 -0.62 -1.94 0.87 -0.64 119.30 120.60 1fml s MET 44 Ca 0.61 1.22 0.06 0.00 -1.71 0.00 0.00 55.69 55.87 1fml s MET 44 Cb -0.45 -3.81 -0.02 0.00 2.01 0.00 0.00 34.83 32.55 1fml s MET 44 CO 0.46 -1.00 -0.16 0.14 -0.01 0.00 0.00 175.02 174.45 1fml s VAL 45 N 4.01 1.30 0.26 -6.03 -7.23 -0.63 0.14 120.40 112.22 1fml s VAL 45 Ca 0.52 -1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 1fml s VAL 45 Cb -0.15 -1.17 -0.10 0.00 0.56 0.00 0.00 36.38 35.52 1fml s VAL 45 CO 0.19 0.03 1.42 -0.31 -0.31 0.00 0.00 175.10 176.13 1fml s TYR 46 N -0.90 3.01 0.27 2.82 1.51 -1.26 -1.46 117.35 121.34 1fml s TYR 46 Ca 0.03 1.08 -0.07 0.00 -1.01 0.00 0.00 57.07 57.10 1fml s TYR 46 Cb -0.08 -3.80 0.46 0.00 -0.11 0.00 0.00 41.96 38.42 1fml s TYR 46 CO 0.02 -2.57 1.48 -2.13 -1.11 0.00 0.00 175.55 171.24 1fml n ARG 47 N 2.11 -0.08 -0.34 -0.62 0.63 -0.36 -0.65 116.66 117.35 1fml n ARG 47 Ca 0.06 1.47 0.18 0.00 -0.92 0.00 0.00 57.85 58.64 1fml n ARG 47 Cb 0.40 -2.21 0.42 0.00 0.45 0.00 0.00 32.46 31.52 1fml n ARG 47 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1fml h PRO 48 N 0.00 0.53 -1.23 -0.14 0.11 -1.85 -1.68 132.00 127.74 1fml h PRO 48 Ca 0.46 -0.03 0.42 0.00 0.11 0.00 0.00 66.00 66.96 1fml h PRO 48 Cb 0.73 -0.12 -0.14 0.00 0.11 0.00 0.00 31.00 31.58 1fml h PRO 48 CO -0.97 0.35 0.76 -0.92 -0.21 0.00 0.00 178.00 177.02 1fml h TYR 49 N 0.55 0.62 -0.76 0.65 3.20 -1.10 -1.41 116.97 118.71 1fml h TYR 49 Ca 0.62 0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.69 1fml h TYR 49 Cb 1.26 -0.15 -0.13 0.00 1.54 0.00 0.00 36.73 39.24 1fml h TYR 49 CO -0.00 -0.25 0.01 -0.07 -1.64 0.00 0.00 178.16 176.21 1fml h LEU 50 N 0.10 -0.34 -2.12 2.82 3.38 -1.48 -0.79 115.31 116.88 1fml h LEU 50 Ca 0.81 0.20 0.07 0.00 0.09 0.00 0.00 57.88 59.05 1fml h LEU 50 Cb 2.40 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 43.49 1fml h LEU 50 CO -0.50 -0.18 0.23 0.07 0.09 0.00 0.00 178.44 178.15 1fml h LYS 51 N 0.11 0.00 -0.00 1.13 2.10 -1.48 -2.44 116.57 115.99 1fml h LYS 51 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1fml h LYS 51 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1fml h LYS 51 CO -0.67 0.00 -0.43 -3.47 -2.00 0.00 0.00 179.45 172.88 1fml n ASP 52 N -4.06 0.45 -0.34 7.07 2.03 -0.65 -4.72 116.55 116.33 1fml n ASP 52 Ca 0.03 -0.72 0.04 0.00 0.52 0.00 0.00 54.79 54.66 1fml n ASP 52 Cb 0.38 0.99 0.11 0.00 -0.72 0.00 0.00 41.12 41.88 1fml n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fml h ALA 53 N 1.31 0.55 -0.23 -1.67 0.00 -0.66 0.79 119.26 119.34 1fml h ALA 53 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1fml h ALA 53 Cb 0.22 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1fml h ALA 53 CO 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 179.25 178.53 1fml h ALA 54 N 1.85 1.05 -0.35 0.00 0.00 -1.85 -1.72 119.26 118.25 1fml h ALA 54 Ca 0.43 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1fml h ALA 54 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1fml h ALA 54 CO -0.97 0.58 -0.02 -0.91 0.00 0.00 0.00 179.25 177.93 1fml h ASN 55 N 0.41 0.61 -0.68 0.00 2.35 -1.20 -2.39 115.58 114.69 1fml h ASN 55 Ca 0.05 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 1fml h ASN 55 Cb 0.73 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1fml h ASN 55 CO 0.06 0.79 0.21 0.40 -1.65 0.00 0.00 177.43 177.24 1fml h ILE 56 N 0.42 1.25 -0.14 2.81 2.04 -1.25 1.10 117.51 123.75 1fml h ILE 56 Ca 0.10 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1fml h ILE 56 Cb 0.48 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1fml h ILE 56 CO 0.02 0.33 0.10 0.22 0.00 0.00 0.00 178.15 178.83 1fml h TYR 57 N 0.98 0.00 -0.17 1.37 3.20 -1.14 -2.39 116.97 118.82 1fml h TYR 57 Ca 0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1fml h TYR 57 Cb 0.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1fml h TYR 57 CO 0.02 0.00 0.00 0.09 -1.64 0.00 0.00 178.16 176.63 1fml n ASN 58 N -4.38 2.74 -4.69 -2.11 3.02 -0.35 -2.89 115.26 106.59 1fml n ASN 58 Ca 0.00 -2.35 -0.44 0.00 -0.03 0.00 0.00 54.58 51.76 1fml n ASN 58 Cb 0.23 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 1fml n ASN 58 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1fml n MET 59 N -0.27 2.38 -1.92 3.52 0.00 0.36 -4.89 117.12 116.30 1fml n MET 59 Ca 0.10 0.85 -0.42 0.00 0.00 0.00 0.00 57.70 58.24 1fml n MET 59 Cb 0.49 -2.63 -0.03 0.00 0.00 0.00 0.00 33.22 31.05 1fml n MET 59 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1fml s PRO 60 N 0.58 4.19 0.36 3.17 0.02 -1.26 -4.89 135.00 137.17 1fml s PRO 60 Ca 0.74 2.33 0.06 0.00 0.02 0.00 0.00 61.00 64.16 1fml s PRO 60 Cb -0.60 -3.62 -0.00 0.00 0.02 0.00 0.00 34.50 30.29 1fml s PRO 60 CO 0.40 -0.74 0.50 -0.51 -0.33 0.00 0.00 177.00 176.31 1fml s LEU 61 N 2.71 3.90 0.03 -5.54 1.43 -1.26 -5.01 118.68 114.94 1fml s LEU 61 Ca 0.74 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1fml s LEU 61 Cb -0.40 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1fml s LEU 61 CO 0.32 -0.51 -0.13 -0.13 0.23 0.00 0.00 176.35 176.13 1fml s ARG 62 N -4.23 0.90 0.55 1.70 0.52 -1.26 -5.04 118.95 112.09 1fml s ARG 62 Ca 0.47 -0.71 0.23 0.00 -0.52 0.00 0.00 55.73 55.21 1fml s ARG 62 Cb -0.10 -0.89 1.46 0.00 0.52 0.00 0.00 34.95 35.94 1fml s ARG 62 CO 0.32 0.22 2.11 -1.00 0.02 0.00 0.00 175.30 176.97 1fml h PRO 63 N 5.04 0.00 -0.00 3.54 0.13 -1.98 -1.51 132.00 137.22 1fml h PRO 63 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1fml h PRO 63 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1fml h PRO 63 CO 0.44 0.00 -0.21 0.25 -0.23 0.00 0.00 178.00 178.25 1fml n THR 64 N -4.24 0.00 -1.85 1.56 -2.24 -1.26 -4.67 114.28 101.59 1fml n THR 64 Ca 0.01 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1fml n THR 64 Cb 0.28 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1fml n THR 64 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fml s ASP 65 N -2.56 6.48 -0.13 3.42 1.01 -0.57 -4.55 116.67 119.77 1fml s ASP 65 Ca 0.24 2.79 0.03 0.00 0.71 0.00 0.00 52.55 56.32 1fml s ASP 65 Cb 0.19 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.52 1fml s ASP 65 CO 0.52 -0.87 -0.21 -0.69 0.21 0.00 0.00 175.17 174.13 1fml s VAL 66 N 0.61 1.98 -0.09 -1.27 1.01 -0.83 -2.64 120.40 119.18 1fml s VAL 66 Ca 0.67 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1fml s VAL 66 Cb -0.46 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1fml s VAL 66 CO 0.38 0.54 -0.06 -0.36 0.00 0.00 0.00 175.10 175.60 1fml s PHE 67 N 0.77 2.97 -0.34 5.22 0.40 -0.29 -0.87 117.98 125.85 1fml s PHE 67 Ca -0.09 -0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1fml s PHE 67 Cb -0.16 -1.79 0.08 0.00 0.51 0.00 0.00 43.02 41.67 1fml s PHE 67 CO -0.00 0.23 0.06 0.08 0.70 0.00 0.00 175.22 176.28 1fml s VAL 68 N -0.47 2.72 0.25 -0.44 1.01 -0.24 -0.33 120.40 122.91 1fml s VAL 68 Ca 0.07 -1.92 0.08 0.00 0.00 0.00 0.00 61.98 60.21 1fml s VAL 68 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1fml s VAL 68 CO 0.02 -0.41 0.09 0.00 0.00 0.00 0.00 175.10 174.80 1fml s ALA 69 N 1.09 3.37 0.00 5.51 0.00 -0.18 -2.54 121.76 129.01 1fml s ALA 69 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1fml s ALA 69 Cb -0.20 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1fml s ALA 69 CO -0.05 0.28 0.00 -1.13 0.00 0.00 0.00 175.76 174.86 1fml n SER 70 N -0.97 0.00 -4.75 0.00 3.41 -1.14 -0.89 113.62 109.28 1fml n SER 70 Ca -0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.13 1fml n SER 70 Cb 0.58 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 1fml n SER 70 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1fml s TYR 71 N -2.00 3.75 0.52 7.33 5.04 -1.26 -4.04 117.35 126.69 1fml s TYR 71 Ca 0.00 1.79 -0.20 0.00 -2.44 0.00 0.00 57.07 56.22 1fml s TYR 71 Cb 0.00 -3.15 -0.09 0.00 0.35 0.00 0.00 41.96 39.06 1fml s TYR 71 CO 0.00 -0.12 0.63 0.00 -1.34 0.00 0.00 175.55 174.72 1fml n GLN 72 N 1.43 0.66 -2.14 4.97 10.64 -1.26 -3.43 117.38 128.26 1fml n GLN 72 Ca -0.01 0.25 -0.11 0.00 -1.83 0.00 0.00 57.00 55.30 1fml n GLN 72 Cb 0.46 -1.74 -0.01 0.00 -0.86 0.00 0.00 30.24 28.09 1fml n GLN 72 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1fml n ARG 73 N 0.03 -0.85 -0.03 2.61 5.12 -1.26 -4.93 116.66 117.36 1fml n ARG 73 Ca 0.11 0.55 0.04 0.00 -1.93 0.00 0.00 57.85 56.62 1fml n ARG 73 Cb 0.45 -4.63 0.05 0.00 -1.16 0.00 0.00 32.46 27.16 1fml n ARG 73 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1fml n SER 74 N -0.02 1.84 0.00 0.55 7.64 -1.22 -4.75 113.62 117.66 1fml n SER 74 Ca -0.13 -1.46 0.00 0.00 1.01 0.00 0.00 58.87 58.30 1fml n SER 74 Cb 0.58 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1fml n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fml n GLY 75 N 0.37 0.96 0.43 0.23 0.00 -1.26 -4.24 105.19 101.68 1fml n GLY 75 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1fml n GLY 75 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fml h THR 76 N 0.00 0.07 -0.13 2.61 2.02 -1.92 -1.94 112.91 113.62 1fml h THR 76 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1fml h THR 76 Cb 0.00 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.42 1fml h THR 76 CO 0.00 0.00 -0.33 0.74 0.37 0.00 0.00 175.52 176.30 1fml h THR 77 N -0.46 0.28 -0.32 3.16 2.02 -1.99 0.75 112.91 116.35 1fml h THR 77 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1fml h THR 77 Cb 0.63 0.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 1fml h THR 77 CO -0.49 0.00 -0.30 0.24 0.37 0.00 0.00 175.52 175.34 1fml h MET 78 N -0.40 -0.26 -0.08 6.66 2.86 -1.95 -2.04 114.93 119.71 1fml h MET 78 Ca 0.09 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 1fml h MET 78 Cb 0.55 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 1fml h MET 78 CO -0.36 -0.18 -0.21 1.15 1.06 0.00 0.00 176.91 178.38 1fml h THR 79 N -0.27 0.50 -0.70 2.22 2.02 -0.65 -1.98 112.91 114.04 1fml h THR 79 Ca 0.15 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.47 1fml h THR 79 Cb 0.52 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.33 1fml h THR 79 CO -0.47 0.00 0.22 1.56 0.37 0.00 0.00 175.52 177.20 1fml h GLN 80 N -0.29 0.33 -0.67 6.66 4.20 -0.36 0.20 115.11 125.18 1fml h GLN 80 Ca 0.08 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1fml h GLN 80 Cb 0.41 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1fml h GLN 80 CO -0.24 0.22 0.28 1.49 -0.67 0.00 0.00 178.83 179.90 1fml h GLU 81 N 0.34 1.00 -0.01 1.46 4.57 -1.00 0.09 114.58 121.03 1fml h GLU 81 Ca 0.39 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1fml h GLU 81 Cb 0.60 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1fml h GLU 81 CO -0.43 0.82 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.15 1fml h LEU 82 N 0.95 0.01 -1.44 1.64 3.38 -0.47 -2.42 115.31 116.95 1fml h LEU 82 Ca 0.23 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1fml h LEU 82 Cb 0.19 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1fml h LEU 82 CO -0.02 0.46 0.42 0.58 0.09 0.00 0.00 178.44 179.97 1fml h VAL 83 N -0.43 1.06 -0.00 1.22 2.07 -0.59 -0.86 116.25 118.71 1fml h VAL 83 Ca 0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1fml h VAL 83 Cb 0.46 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1fml h VAL 83 CO 0.00 0.13 -0.01 -0.25 0.02 0.00 0.00 177.57 177.46 1fml h TRP 84 N 0.71 0.01 -0.09 1.57 7.01 -0.95 -2.85 115.95 121.36 1fml h TRP 84 Ca 0.26 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.27 1fml h TRP 84 Cb 0.14 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1fml h TRP 84 CO -0.00 0.53 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.07 1fml h LEU 85 N -0.50 -0.12 -0.61 0.65 3.38 -1.07 -1.10 115.31 115.95 1fml h LEU 85 Ca 0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1fml h LEU 85 Cb 0.53 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 1fml h LEU 85 CO 0.00 -0.05 0.21 0.40 0.09 0.00 0.00 178.44 179.09 1fml h ILE 86 N -0.02 0.75 0.00 1.22 2.04 -1.24 0.27 117.51 120.52 1fml h ILE 86 Ca 0.05 -0.13 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 1fml h ILE 86 Cb 0.09 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1fml h ILE 86 CO -0.11 0.07 -0.65 -0.33 0.00 0.00 0.00 178.15 177.13 1fml h GLU 87 N 0.38 0.00 -1.41 2.37 4.39 -1.33 -3.18 114.58 115.80 1fml h GLU 87 Ca 0.31 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.30 1fml h GLU 87 Cb 0.40 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.76 1fml h GLU 87 CO -0.32 0.65 0.82 0.09 -1.16 0.00 0.00 179.01 179.09 1fml n ASN 88 N -3.76 7.41 -3.99 1.42 3.02 -0.43 -4.92 115.26 114.00 1fml n ASN 88 Ca -0.01 -3.81 -0.35 0.00 -0.03 0.00 0.00 54.58 50.39 1fml n ASN 88 Cb 0.64 -0.97 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 1fml n ASN 88 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1fml n ASP 89 N -0.74 -2.71 -4.33 6.41 8.00 -0.91 -0.91 116.55 121.35 1fml n ASP 89 Ca 0.58 -0.98 -0.37 0.00 0.71 0.00 0.00 54.79 54.72 1fml n ASP 89 Cb 0.50 -1.18 -0.08 0.00 -0.02 0.00 0.00 41.12 40.34 1fml n ASP 89 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fml n LEU 90 N -4.03 -0.83 -3.55 0.64 4.32 0.84 -4.76 117.00 109.63 1fml n LEU 90 Ca -0.10 -1.19 -0.41 0.00 -0.02 0.00 0.00 56.01 54.30 1fml n LEU 90 Cb 0.43 -1.51 -0.01 0.00 -1.62 0.00 0.00 43.42 40.71 1fml n LEU 90 CO 0.57 0.22 2.73 -3.20 -1.22 0.00 0.00 177.39 176.49 1fml n ASN 91 N -2.43 6.80 -0.48 -1.43 2.85 -0.09 -4.76 115.26 115.72 1fml n ASN 91 Ca -0.03 -2.87 0.39 0.00 -0.11 0.00 0.00 54.58 51.95 1fml n ASN 91 Cb 0.51 -1.52 0.68 0.00 1.24 0.00 0.00 39.78 40.69 1fml n ASN 91 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1fml h PHE 92 N 5.27 0.40 0.07 1.20 -1.00 -1.87 0.71 116.94 121.71 1fml h PHE 92 Ca 0.68 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.47 1fml h PHE 92 Cb 0.43 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1fml h PHE 92 CO 1.60 -0.14 -0.06 1.49 -1.61 0.00 0.00 178.31 179.59 1fml h GLU 93 N 0.08 -0.14 0.00 1.51 4.57 -1.99 -2.38 114.58 116.23 1fml h GLU 93 Ca 0.81 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 59.00 1fml h GLU 93 Cb 2.72 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.34 1fml h GLU 93 CO -0.31 -0.09 0.00 0.00 -1.18 0.00 0.00 179.01 177.43 1fml h ALA 94 N 0.78 1.00 0.00 2.92 0.00 -1.28 -2.64 119.26 120.05 1fml h ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fml h ALA 94 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1fml h ALA 94 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1fml n ALA 95 N -1.81 2.46 0.81 0.00 0.00 -0.90 -3.53 120.51 117.54 1fml n ALA 95 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1fml n ALA 95 Cb 0.28 -1.48 0.45 0.00 0.00 0.00 0.00 19.45 18.70 1fml n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fml n LYS 96 N -1.26 0.18 -2.84 0.00 5.02 -0.99 -4.76 118.16 113.51 1fml n LYS 96 Ca 0.15 0.13 -0.33 0.00 -2.02 0.00 0.00 58.31 56.24 1fml n LYS 96 Cb 0.22 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1fml n LYS 96 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1fml s THR 97 N -2.71 4.40 0.24 -0.18 -4.23 -1.23 -4.64 115.64 107.28 1fml s THR 97 Ca 0.15 1.48 -0.28 0.00 -1.18 0.00 0.00 61.69 61.86 1fml s THR 97 Cb 0.12 -3.62 -0.16 0.00 1.34 0.00 0.00 72.50 70.19 1fml s THR 97 CO 0.30 -0.29 0.76 -1.22 -0.54 0.00 0.00 174.62 173.63 1fml n TYR 98 N -0.56 0.36 0.01 3.99 4.02 -1.26 -4.81 117.16 118.91 1fml n TYR 98 Ca 0.07 0.84 -0.11 0.00 -0.01 0.00 0.00 57.90 58.69 1fml n TYR 98 Cb 0.54 -2.10 -0.05 0.00 -0.02 0.00 0.00 39.34 37.71 1fml n TYR 98 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1fml h MET 99 N 1.51 -0.02 0.00 -0.72 1.85 -1.43 -1.29 114.93 114.83 1fml h MET 99 Ca -0.34 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 1fml h MET 99 Cb 1.39 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.43 1fml h MET 99 CO 0.59 -0.01 0.03 -1.13 -0.40 0.00 0.00 176.91 175.98 1fml n SER 100 N -5.14 0.00 -0.01 1.39 3.41 -1.26 -0.33 113.62 111.68 1fml n SER 100 Ca -0.05 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.90 1fml n SER 100 Cb 0.08 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 1fml n SER 100 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1fml n LEU 101 N -1.26 0.02 0.07 1.04 4.32 -0.53 -4.40 117.00 116.25 1fml n LEU 101 Ca 0.00 -0.01 0.11 0.00 -0.02 0.00 0.00 56.01 56.09 1fml n LEU 101 Cb 0.03 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.80 1fml n LEU 101 CO 0.00 0.00 -0.11 0.54 -1.22 0.00 0.00 177.39 176.60 1fml n ARG 102 N -1.97 0.56 -4.26 3.23 1.74 0.55 -4.94 116.66 111.57 1fml n ARG 102 Ca -0.02 0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.92 1fml n ARG 102 Cb 0.36 -1.73 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 1fml n ARG 102 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fml s TYR 103 N -3.36 1.47 -0.30 -1.55 1.51 -0.37 -4.44 117.35 110.31 1fml s TYR 103 Ca -0.01 -0.57 -0.06 0.00 -1.01 0.00 0.00 57.07 55.42 1fml s TYR 103 Cb 0.11 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.23 1fml s TYR 103 CO 0.81 0.18 0.07 0.42 -1.11 0.00 0.00 175.55 175.92 1fml s ILE 104 N -2.36 3.78 -1.04 2.71 1.01 0.41 -4.66 121.20 121.04 1fml s ILE 104 Ca 0.12 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1fml s ILE 104 Cb -0.04 -2.99 0.04 0.00 0.01 0.00 0.00 42.46 39.49 1fml s ILE 104 CO 0.04 0.04 1.52 -0.47 0.00 0.00 0.00 174.94 176.07 1fml s TYR 105 N 1.46 2.50 0.15 3.97 6.04 -1.26 -0.54 117.35 129.67 1fml s TYR 105 Ca 0.01 -0.80 -0.31 0.00 0.04 0.00 0.00 57.07 56.00 1fml s TYR 105 Cb -0.18 -4.65 -0.08 0.00 -1.04 0.00 0.00 41.96 36.01 1fml s TYR 105 CO 0.02 -1.90 1.54 1.25 -1.54 0.00 0.00 175.55 174.92 1fml h LEU 106 N 13.19 -2.03 -2.94 6.97 5.85 -1.06 -1.93 115.31 133.37 1fml h LEU 106 Ca 0.22 0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1fml h LEU 106 Cb 0.99 0.88 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1fml h LEU 106 CO 1.42 -0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 178.31 1fml n ASP 107 N -5.30 4.59 0.06 1.25 5.75 -1.26 -3.74 116.55 117.89 1fml n ASP 107 Ca -0.00 -2.63 0.10 0.00 -0.01 0.00 0.00 54.79 52.25 1fml n ASP 107 Cb 0.30 -0.61 0.42 0.00 -1.03 0.00 0.00 41.12 40.19 1fml n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fml n GLY 108 N 0.67 -1.22 0.16 6.12 0.00 -0.73 -3.54 105.19 106.65 1fml n GLY 108 Ca 0.22 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1fml n GLY 108 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1fml h PHE 109 N 0.00 0.94 -0.41 1.61 -5.15 -1.78 -3.36 116.94 108.79 1fml h PHE 109 Ca 0.00 -0.62 0.12 0.00 -0.20 0.00 0.00 57.97 57.27 1fml h PHE 109 Cb 0.37 -0.07 -0.02 0.00 0.22 0.00 0.00 35.95 36.45 1fml h PHE 109 CO 0.00 1.46 0.61 0.00 -2.00 0.00 0.00 178.31 178.38 1fml h MET 110 N 0.23 0.00 0.00 6.09 -0.00 -1.85 -1.30 114.93 118.10 1fml h MET 110 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 1fml h MET 110 Cb 1.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.56 1fml h MET 110 CO 0.24 0.00 0.00 1.51 -0.00 0.00 0.00 176.91 178.66 1fml n ILE 111 N -3.34 0.40 -4.66 -0.10 3.06 -1.26 -4.32 119.36 109.14 1fml n ILE 111 Ca 0.08 0.10 -0.33 0.00 -2.50 0.00 0.00 62.75 60.10 1fml n ILE 111 Cb 0.77 -0.76 -0.16 0.00 0.54 0.00 0.00 39.64 40.03 1fml n ILE 111 CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 1fml s TYR 112 N -2.62 2.72 -0.41 9.51 5.04 -0.49 -4.78 117.35 126.31 1fml s TYR 112 Ca 0.18 -1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 53.64 1fml s TYR 112 Cb 0.14 -1.84 0.11 0.00 0.35 0.00 0.00 41.96 40.72 1fml s TYR 112 CO 0.32 -0.51 0.21 0.34 -1.34 0.00 0.00 175.55 174.57 1fml s ASP 113 N 0.75 5.27 0.33 4.32 3.68 -1.26 -4.88 116.67 124.87 1fml s ASP 113 Ca -0.08 -2.04 0.11 0.00 2.13 0.00 0.00 52.55 52.68 1fml s ASP 113 Cb -0.16 -1.84 1.00 0.00 -1.45 0.00 0.00 42.92 40.48 1fml s ASP 113 CO 0.00 -0.55 1.62 -0.65 0.13 0.00 0.00 175.17 175.73 1fml h PRO 114 N 8.05 0.16 0.00 4.34 0.11 -1.96 0.36 132.00 143.06 1fml h PRO 114 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1fml h PRO 114 Cb 1.05 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1fml h PRO 114 CO 0.70 0.10 0.04 -1.91 -0.21 0.00 0.00 178.00 176.72 1fml n GLU 115 N -5.22 0.00 -0.33 1.05 2.13 -1.26 -1.63 120.64 115.38 1fml n GLU 115 Ca 0.29 0.36 0.08 0.00 0.66 0.00 0.00 57.16 58.55 1fml n GLU 115 Cb 0.95 -1.54 0.14 0.00 0.27 0.00 0.00 31.44 31.26 1fml n GLU 115 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1fml n LYS 116 N -1.35 1.14 -0.41 5.31 5.02 0.13 -4.87 118.16 123.13 1fml n LYS 116 Ca 0.00 -2.55 -0.10 0.00 -2.02 0.00 0.00 58.31 53.64 1fml n LYS 116 Cb 0.04 -1.34 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 1fml n LYS 116 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1fml h GLN 117 N 0.30 -0.01 -0.74 1.97 4.15 -1.40 -1.23 115.11 118.15 1fml h GLN 117 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.57 1fml h GLN 117 Cb 1.09 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.66 1fml h GLN 117 CO 0.01 -0.01 -0.02 0.93 -1.93 0.00 0.00 178.83 177.81 1fml h GLU 118 N -0.01 0.09 0.00 1.69 3.07 -1.89 -1.11 114.58 116.41 1fml h GLU 118 Ca 0.18 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1fml h GLU 118 Cb 0.44 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1fml h GLU 118 CO -0.93 0.06 0.00 0.93 -1.40 0.00 0.00 179.01 177.66 1fml h GLU 119 N 0.09 0.00 0.08 2.33 5.08 -1.61 -3.30 114.58 117.24 1fml h GLU 119 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1fml h GLU 119 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1fml h GLU 119 CO -0.66 0.00 -0.04 1.88 -1.00 0.00 0.00 179.01 179.19 1fml h TYR 120 N 0.00 -0.10 0.00 4.33 -1.99 -1.13 -3.26 116.97 114.82 1fml h TYR 120 Ca 0.00 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1fml h TYR 120 Cb 0.21 0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.97 1fml h TYR 120 CO 0.00 0.44 -0.01 -2.95 -0.00 0.00 0.00 178.16 175.64 1fml h ASN 121 N -0.77 0.00 0.12 3.88 7.08 -1.71 -2.21 115.58 121.98 1fml h ASN 121 Ca -0.01 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1fml h ASN 121 Cb 0.59 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.83 1fml h ASN 121 CO 0.02 0.01 -0.01 0.44 -2.08 0.00 0.00 177.43 175.81 1fml h ASP 122 N 0.00 0.00 -0.06 6.14 3.32 -1.71 0.20 116.42 124.31 1fml h ASP 122 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fml h ASP 122 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1fml h ASP 122 CO 0.00 0.01 0.00 2.30 -1.72 0.00 0.00 179.24 179.83 1fml n ILE 123 N -3.28 0.07 -3.54 0.35 -5.35 -0.83 -4.82 119.36 101.97 1fml n ILE 123 Ca -0.03 -0.19 -0.37 0.00 -0.27 0.00 0.00 62.75 61.90 1fml n ILE 123 Cb 0.11 0.12 -0.08 0.00 -1.74 0.00 0.00 39.64 38.05 1fml n ILE 123 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1fml s LEU 124 N -1.76 4.18 0.56 7.28 1.43 0.06 -4.95 118.68 125.47 1fml s LEU 124 Ca 0.36 0.38 0.38 0.00 -1.03 0.00 0.00 54.13 54.21 1fml s LEU 124 Cb 0.18 -2.32 1.53 0.00 0.03 0.00 0.00 46.19 45.62 1fml s LEU 124 CO 0.29 0.04 1.71 -0.65 0.23 0.00 0.00 176.35 177.97 1fml h PRO 125 N 7.14 0.00 -1.90 1.29 0.11 -1.87 -3.30 132.00 133.46 1fml h PRO 125 Ca -0.39 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.45 1fml h PRO 125 Cb 1.16 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.97 1fml h PRO 125 CO 0.72 0.00 -0.60 -0.80 -0.21 0.00 0.00 178.00 177.11 1fml s ASN 126 N -4.71 0.98 0.11 -2.05 0.01 -1.26 -4.99 114.94 103.03 1fml s ASN 126 Ca -0.05 -0.74 0.07 0.00 -0.71 0.00 0.00 52.86 51.43 1fml s ASN 126 Cb 0.22 0.80 -0.21 0.00 0.41 0.00 0.00 41.25 42.47 1fml s ASN 126 CO 0.77 -0.35 1.26 -0.65 -1.51 0.00 0.00 177.10 176.62 1fml h PRO 127 N 7.99 0.01 0.00 -0.60 0.11 -1.81 -3.27 132.00 134.42 1fml h PRO 127 Ca -0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1fml h PRO 127 Cb 1.09 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fml h PRO 127 CO 0.28 0.99 0.00 0.39 -0.21 0.00 0.00 178.00 179.45 1fml n GLU 128 N -3.35 0.35 -0.14 1.05 4.71 -1.26 -2.65 120.64 119.35 1fml n GLU 128 Ca -0.01 0.08 0.04 0.00 -0.01 0.00 0.00 57.16 57.27 1fml n GLU 128 Cb 0.95 -1.50 0.12 0.00 -1.01 0.00 0.00 31.44 29.99 1fml n GLU 128 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1fml n ASN 129 N -1.21 2.72 -4.77 1.62 4.13 -1.23 -5.02 115.26 111.49 1fml n ASN 129 Ca 0.10 -2.15 -0.38 0.00 1.68 0.00 0.00 54.58 53.82 1fml n ASN 129 Cb 0.13 -0.20 -0.04 0.00 -1.54 0.00 0.00 39.78 38.12 1fml n ASN 129 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1fml s LEU 130 N -1.27 4.36 -1.17 3.41 1.43 -1.09 -4.82 118.68 119.53 1fml s LEU 130 Ca 0.19 2.11 -0.20 0.00 -1.03 0.00 0.00 54.13 55.20 1fml s LEU 130 Cb 0.11 -3.91 0.07 0.00 0.03 0.00 0.00 46.19 42.50 1fml s LEU 130 CO 0.10 -0.27 1.59 -0.62 0.23 0.00 0.00 176.35 177.37 1fml s ASP 131 N -1.27 6.71 0.39 2.29 -1.08 -0.49 -4.83 116.67 118.40 1fml s ASP 131 Ca 0.51 -2.07 0.16 0.00 -0.52 0.00 0.00 52.55 50.63 1fml s ASP 131 Cb -0.26 -2.56 1.05 0.00 -1.46 0.00 0.00 42.92 39.68 1fml s ASP 131 CO 0.33 -1.28 1.80 0.24 0.52 0.00 0.00 175.17 176.78 1fml h MET 132 N 8.47 0.44 -0.57 4.34 2.86 -1.92 -0.06 114.93 128.49 1fml h MET 132 Ca 0.33 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.01 1fml h MET 132 Cb 0.93 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1fml h MET 132 CO 1.42 0.29 0.38 1.49 1.06 0.00 0.00 176.91 181.55 1fml h GLU 133 N 0.45 0.51 0.00 1.72 4.81 -2.00 -2.12 114.58 117.95 1fml h GLU 133 Ca 0.55 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.53 1fml h GLU 133 Cb 1.31 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1fml h GLU 133 CO -0.27 0.33 -1.24 0.00 -0.73 0.00 0.00 179.01 177.11 1fml h ARG 134 N 0.52 0.00 -0.45 1.92 3.08 -1.48 -3.27 114.38 114.70 1fml h ARG 134 Ca 0.25 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.38 1fml h ARG 134 Cb 0.30 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.26 1fml h ARG 134 CO -0.07 0.96 -0.38 -0.92 -1.07 0.00 0.00 179.97 178.50 1fml h TYR 135 N -1.00 -1.07 -0.94 3.04 3.20 -1.14 0.25 116.97 119.32 1fml h TYR 135 Ca -0.34 0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.69 1fml h TYR 135 Cb 1.28 0.53 -0.07 0.00 1.54 0.00 0.00 36.73 40.01 1fml h TYR 135 CO 0.08 -0.41 0.60 -0.07 -1.64 0.00 0.00 178.16 176.73 1fml h LEU 136 N -0.26 0.89 -1.32 2.82 3.38 -1.58 0.11 115.31 119.35 1fml h LEU 136 Ca 0.17 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1fml h LEU 136 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1fml h LEU 136 CO -0.59 0.54 -0.14 1.23 0.09 0.00 0.00 178.44 179.57 1fml h GLY 137 N 0.99 0.31 0.81 0.83 0.00 -0.86 -1.22 103.07 103.92 1fml h GLY 137 Ca 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1fml h GLY 137 CO -0.18 0.18 0.02 -2.00 0.00 0.00 0.00 176.54 174.56 1fml h LEU 138 N 0.27 0.15 -0.76 3.11 7.12 0.19 -2.31 115.31 123.08 1fml h LEU 138 Ca 0.05 -0.24 0.06 0.00 0.13 0.00 0.00 57.88 57.89 1fml h LEU 138 Cb 0.41 -0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.44 1fml h LEU 138 CO 0.02 0.34 0.45 -0.07 -0.13 0.00 0.00 178.44 179.05 1fml h LEU 139 N -0.06 0.68 0.76 2.25 3.38 -0.77 -0.68 115.31 120.87 1fml h LEU 139 Ca 0.03 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1fml h LEU 139 Cb 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1fml h LEU 139 CO 0.00 0.43 -0.42 -0.08 0.09 0.00 0.00 178.44 178.46 1fml h GLU 140 N 0.81 -1.04 -0.80 1.13 4.81 -1.07 -2.58 114.58 115.83 1fml h GLU 140 Ca 0.34 0.07 0.19 0.00 -0.13 0.00 0.00 59.36 59.83 1fml h GLU 140 Cb 0.20 0.24 -0.12 0.00 0.63 0.00 0.00 28.75 29.70 1fml h GLU 140 CO -0.19 -0.70 0.22 -0.92 -0.73 0.00 0.00 179.01 176.69 1fml h TYR 141 N -1.08 0.33 0.00 0.92 3.20 -1.21 0.45 116.97 119.58 1fml h TYR 141 Ca -0.10 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1fml h TYR 141 Cb 0.85 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1fml h TYR 141 CO -0.02 -0.12 0.00 0.43 -1.64 0.00 0.00 178.16 176.80 1fml n SER 142 N -5.17 0.00 -0.06 -2.11 7.64 -0.28 -1.50 113.62 112.14 1fml n SER 142 Ca 0.17 -0.30 -0.05 0.00 1.01 0.00 0.00 58.87 59.71 1fml n SER 142 Cb 0.55 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.60 1fml n SER 142 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1fml n SER 143 N -0.97 0.22 -4.63 6.43 7.64 0.16 -4.65 113.62 117.82 1fml n SER 143 Ca 0.06 0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.62 1fml n SER 143 Cb 0.03 0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 64.14 1fml n SER 143 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1fml s ARG 144 N -2.75 3.72 0.68 1.43 0.52 -0.56 -4.94 118.95 117.04 1fml s ARG 144 Ca -0.08 2.15 -0.17 0.00 -0.52 0.00 0.00 55.73 57.11 1fml s ARG 144 Cb 0.08 -4.19 -0.03 0.00 0.52 0.00 0.00 34.95 31.33 1fml s ARG 144 CO 0.84 -1.42 0.77 -2.30 0.02 0.00 0.00 175.30 173.21 1fml n PRO 145 N 7.95 0.52 0.02 3.54 -0.02 -1.26 -4.79 135.00 140.96 1fml n PRO 145 Ca 0.23 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1fml n PRO 145 Cb 0.44 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1fml n PRO 145 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1fml h GLY 146 N -0.09 -0.62 -0.51 -1.23 0.00 -1.90 -2.72 103.07 96.00 1fml h GLY 146 Ca -0.47 0.46 0.09 0.00 0.00 0.00 0.00 47.33 47.41 1fml h GLY 146 CO 0.46 -0.23 -0.44 1.48 0.00 0.00 0.00 176.54 177.81 1fml h SER 147 N -0.48 -1.53 -0.92 0.19 4.64 -1.90 -1.05 113.55 112.50 1fml h SER 147 Ca 0.07 0.25 0.25 0.00 -0.47 0.00 0.00 61.79 61.89 1fml h SER 147 Cb 0.60 0.69 -0.13 0.00 -0.31 0.00 0.00 62.40 63.25 1fml h SER 147 CO -0.35 -0.33 0.40 0.28 -0.87 0.00 0.00 176.83 175.96 1fml h SER 148 N -0.23 0.31 0.32 4.97 0.02 -1.84 1.00 113.55 118.10 1fml h SER 148 Ca 0.18 0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 61.21 1fml h SER 148 Cb 0.56 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1fml h SER 148 CO -0.70 -0.06 -0.39 -0.07 -1.14 0.00 0.00 176.83 174.47 1fml h LEU 149 N 0.35 0.09 0.00 5.07 3.38 -1.08 -2.29 115.31 120.83 1fml h LEU 149 Ca 0.60 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 1fml h LEU 149 Cb 1.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1fml h LEU 149 CO -0.58 0.48 -0.00 -0.07 0.09 0.00 0.00 178.44 178.36 1fml h LEU 150 N 0.08 -0.00 -1.95 1.67 3.38 -0.60 -3.29 115.31 114.60 1fml h LEU 150 Ca 0.01 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1fml h LEU 150 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1fml h LEU 150 CO 0.05 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1fml h ALA 151 N 0.16 1.00 0.00 1.53 0.00 -1.03 -2.11 119.26 118.82 1fml h ALA 151 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1fml h ALA 151 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1fml h ALA 151 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 1fml h ALA 152 N 2.03 0.85 -2.30 0.00 0.00 -1.47 -3.44 119.26 114.92 1fml h ALA 152 Ca 0.00 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 54.15 1fml h ALA 152 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1fml h ALA 152 CO 0.00 0.29 0.75 0.08 0.00 0.00 0.00 179.25 180.37 1fml s VAL 153 N -3.11 4.15 0.87 0.00 1.01 -0.79 -5.00 120.40 117.53 1fml s VAL 153 Ca 0.05 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.40 1fml s VAL 153 Cb 0.06 -3.95 0.12 0.00 0.00 0.00 0.00 36.38 32.62 1fml s VAL 153 CO 0.70 -0.02 1.15 -2.84 0.00 0.00 0.00 175.10 174.10 1fml s PRO 154 N 2.43 1.29 0.38 2.72 0.02 -1.26 -4.92 135.00 135.65 1fml s PRO 154 Ca 0.57 1.56 0.07 0.00 0.02 0.00 0.00 61.00 63.23 1fml s PRO 154 Cb -0.26 -1.76 0.75 0.00 0.02 0.00 0.00 34.50 33.26 1fml s PRO 154 CO 0.22 -2.43 1.94 -1.35 -0.33 0.00 0.00 177.00 175.04 1fml h PRO 155 N -1.57 0.40 0.00 5.54 0.11 -1.96 -2.76 132.00 131.76 1fml h PRO 155 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1fml h PRO 155 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fml h PRO 155 CO 0.44 0.42 0.00 0.25 -0.21 0.00 0.00 178.00 178.90 1fml n THR 156 N -4.33 0.00 -4.65 -1.15 -2.24 -1.26 -4.60 114.28 96.05 1fml n THR 156 Ca 0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 1fml n THR 156 Cb 0.21 -0.37 -0.17 0.00 -2.10 0.00 0.00 70.33 67.90 1fml n THR 156 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1fml s GLU 157 N -2.00 2.95 0.22 -0.78 2.12 -1.04 -5.10 118.70 115.08 1fml s GLU 157 Ca 0.16 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1fml s GLU 157 Cb 0.07 -2.39 -0.10 0.00 0.26 0.00 0.00 34.13 31.97 1fml s GLU 157 CO 0.12 -0.02 1.43 0.21 -0.54 0.00 0.00 175.26 176.46 1fml s LYS 158 N 0.83 4.29 -0.12 4.30 2.20 -1.26 -4.82 119.74 125.16 1fml s LYS 158 Ca -0.07 2.25 -0.16 0.00 -0.36 0.00 0.00 55.97 57.63 1fml s LYS 158 Cb -0.15 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1fml s LYS 158 CO -0.02 -0.41 0.38 1.03 -0.36 0.00 0.00 175.35 175.97 1fml s ARG 159 N -0.06 4.23 -0.39 4.03 0.52 -1.26 -5.05 118.95 120.97 1fml s ARG 159 Ca 0.60 0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 56.08 1fml s ARG 159 Cb -0.41 -3.40 0.11 0.00 0.52 0.00 0.00 34.95 31.77 1fml s ARG 159 CO 0.40 0.27 0.16 -0.06 0.02 0.00 0.00 175.30 176.10 1fml s PHE 160 N 0.30 3.62 0.01 -0.53 0.40 -1.26 -1.96 117.98 118.56 1fml s PHE 160 Ca 0.21 -2.54 -0.11 0.00 -0.60 0.00 0.00 56.93 53.90 1fml s PHE 160 Cb -0.14 -3.11 -0.05 0.00 0.51 0.00 0.00 43.02 40.22 1fml s PHE 160 CO 0.08 -0.96 0.35 0.08 0.70 0.00 0.00 175.22 175.46 1fml s VAL 161 N 1.09 5.16 -0.02 -0.44 1.01 -0.04 -0.44 120.40 126.71 1fml s VAL 161 Ca 0.08 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.67 1fml s VAL 161 Cb -0.22 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1fml s VAL 161 CO -0.05 0.47 -0.20 -0.75 0.00 0.00 0.00 175.10 174.58 1fml s LYS 162 N -1.40 1.64 0.01 2.72 2.20 0.30 -1.08 119.74 124.13 1fml s LYS 162 Ca 0.26 -0.70 -0.28 0.00 -0.36 0.00 0.00 55.97 54.89 1fml s LYS 162 Cb -0.15 -1.56 0.09 0.00 -1.51 0.00 0.00 37.83 34.71 1fml s LYS 162 CO 0.14 0.40 0.81 -0.08 -0.36 0.00 0.00 175.35 176.26 1fml s THR 163 N -0.41 0.00 -0.14 3.43 -1.32 -1.05 -0.37 115.64 115.78 1fml s THR 163 Ca 0.06 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.69 1fml s THR 163 Cb -0.08 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.24 1fml s THR 163 CO -0.00 0.00 1.17 1.41 -2.21 0.00 0.00 174.62 174.98 1fml n HIS 164 N 0.00 0.00 -3.11 9.09 8.25 -1.26 -2.91 115.22 125.29 1fml n HIS 164 Ca -0.12 -1.08 -0.39 0.00 -0.26 0.00 0.00 57.72 55.86 1fml n HIS 164 Cb 0.61 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 1fml n HIS 164 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1fml s LEU 165 N -2.55 4.53 0.77 2.41 1.43 -1.26 -4.77 118.68 119.24 1fml s LEU 165 Ca 0.32 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 1fml s LEU 165 Cb 0.30 -3.10 0.05 0.00 0.03 0.00 0.00 46.19 43.48 1fml s LEU 165 CO -0.03 0.20 1.08 -2.16 0.23 0.00 0.00 176.35 175.67 1fml s PRO 166 N -0.89 2.31 0.19 1.29 0.04 -1.26 -4.81 135.00 131.87 1fml s PRO 166 Ca 0.33 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1fml s PRO 166 Cb -0.21 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.56 1fml s PRO 166 CO 0.22 -1.58 1.84 -0.07 0.04 0.00 0.00 177.00 177.46 1fml h LEU 167 N -1.07 0.65 -1.10 -3.56 3.38 -1.93 -2.82 115.31 108.86 1fml h LEU 167 Ca -0.44 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1fml h LEU 167 Cb 1.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1fml h LEU 167 CO 0.53 0.46 0.37 0.77 0.09 0.00 0.00 178.44 180.66 1fml h SER 168 N 0.78 0.00 -0.11 -0.43 4.64 -1.96 0.49 113.55 116.96 1fml h SER 168 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1fml h SER 168 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1fml h SER 168 CO -0.09 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.05 1fml n LEU 169 N -2.29 2.95 -4.64 5.97 4.77 -1.07 -4.94 117.00 117.75 1fml n LEU 169 Ca -0.01 -1.12 -0.24 0.00 -0.03 0.00 0.00 56.01 54.60 1fml n LEU 169 Cb 0.39 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1fml n LEU 169 CO 0.07 0.54 -0.30 -0.04 -1.33 0.00 0.00 177.39 176.33 1fml s MET 170 N -1.72 2.12 -0.38 3.23 -1.94 0.17 -3.94 119.30 116.85 1fml s MET 170 Ca 0.28 -1.68 -0.43 0.00 -1.71 0.00 0.00 55.69 52.15 1fml s MET 170 Cb 0.19 -1.98 -0.17 0.00 2.01 0.00 0.00 34.83 34.87 1fml s MET 170 CO 0.28 0.18 1.69 -2.30 -0.01 0.00 0.00 175.02 174.85 1fml n PRO 171 N -0.95 0.66 -1.64 2.03 -0.02 -1.14 -4.87 135.00 129.07 1fml n PRO 171 Ca -0.04 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 1fml n PRO 171 Cb 0.62 -1.85 0.06 0.00 -0.02 0.00 0.00 33.50 32.31 1fml n PRO 171 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1fml s PRO 172 N 3.34 2.54 0.00 0.52 0.04 -1.26 -1.94 135.00 138.23 1fml s PRO 172 Ca 1.01 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1fml s PRO 172 Cb -1.25 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1fml s PRO 172 CO 0.73 -1.49 0.00 0.09 0.04 0.00 0.00 177.00 176.37 1fml n ASN 173 N -2.49 -0.74 -0.29 6.66 3.02 -1.26 -4.86 115.26 115.30 1fml n ASN 173 Ca 0.12 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.86 1fml n ASN 173 Cb 0.51 -1.19 0.48 0.00 -0.61 0.00 0.00 39.78 38.98 1fml n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fml h MET 174 N 1.53 0.45 0.00 3.52 -0.00 -1.75 0.51 114.93 119.18 1fml h MET 174 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1fml h MET 174 Cb 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.57 1fml h MET 174 CO 0.00 0.30 0.00 1.28 -0.00 0.00 0.00 176.91 178.49 1fml n LEU 175 N -4.58 0.00 0.10 -0.10 4.77 -1.26 -0.27 117.00 115.66 1fml n LEU 175 Ca 0.22 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 1fml n LEU 175 Cb 0.73 -0.26 0.34 0.00 -2.33 0.00 0.00 43.42 41.90 1fml n LEU 175 CO 0.28 -0.24 0.75 0.44 -1.33 0.00 0.00 177.39 177.29 1fml h ASP 176 N 0.00 0.00 0.00 -1.43 3.32 -1.29 -3.38 116.42 113.65 1fml h ASP 176 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1fml h ASP 176 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1fml h ASP 176 CO 0.00 0.03 -1.10 0.41 -1.72 0.00 0.00 179.24 176.85 1fml n THR 177 N -2.26 0.11 -4.42 0.35 -1.04 0.63 -5.06 114.28 102.59 1fml n THR 177 Ca 0.05 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1fml n THR 177 Cb 0.44 -0.76 -0.11 0.00 -1.82 0.00 0.00 70.33 68.08 1fml n THR 177 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1fml s VAL 178 N -2.04 2.57 0.15 12.58 -7.23 -0.67 -3.80 120.40 121.96 1fml s VAL 178 Ca -0.02 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.00 1fml s VAL 178 Cb 0.01 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1fml s VAL 178 CO 0.05 -0.24 0.35 -0.54 -0.31 0.00 0.00 175.10 174.41 1fml s LYS 179 N -3.07 3.55 -0.02 4.82 1.02 -1.08 -4.41 119.74 120.55 1fml s LYS 179 Ca 0.25 -0.23 -0.09 0.00 0.02 0.00 0.00 55.97 55.92 1fml s LYS 179 Cb -0.07 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1fml s LYS 179 CO 0.13 0.47 0.20 1.41 -0.92 0.00 0.00 175.35 176.65 1fml s MET 180 N -2.84 0.48 -0.25 1.68 -2.45 0.14 -1.14 119.30 114.93 1fml s MET 180 Ca 0.39 -0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.67 1fml s MET 180 Cb -0.12 0.21 0.06 0.00 1.25 0.00 0.00 34.83 36.23 1fml s MET 180 CO 0.27 -0.11 -0.07 0.08 1.05 0.00 0.00 175.02 176.23 1fml s VAL 181 N -1.02 1.80 -0.21 10.11 1.01 0.55 -1.23 120.40 131.41 1fml s VAL 181 Ca -0.11 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 1fml s VAL 181 Cb -0.06 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1fml s VAL 181 CO 0.02 -0.08 0.26 -0.47 0.00 0.00 0.00 175.10 174.83 1fml s TYR 182 N 1.27 3.37 -0.00 5.22 5.04 -0.24 -1.01 117.35 131.00 1fml s TYR 182 Ca -0.07 0.43 0.01 0.00 -2.44 0.00 0.00 57.07 55.00 1fml s TYR 182 Cb -0.19 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1fml s TYR 182 CO -0.06 0.09 0.04 -0.51 -1.34 0.00 0.00 175.55 173.78 1fml s LEU 183 N 0.97 3.71 0.09 6.97 2.01 -0.06 -0.68 118.68 131.70 1fml s LEU 183 Ca 0.13 0.07 0.02 0.00 0.01 0.00 0.00 54.13 54.36 1fml s LEU 183 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.87 1fml s LEU 183 CO 0.05 0.27 -0.07 0.00 1.01 0.00 0.00 176.35 177.61 1fml s ALA 184 N -1.15 0.97 0.08 4.21 0.00 -0.10 -4.01 121.76 121.76 1fml s ALA 184 Ca 0.21 -1.28 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 1fml s ALA 184 Cb -0.12 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1fml s ALA 184 CO 0.12 -0.19 0.43 0.50 0.00 0.00 0.00 175.76 176.62 1fml s ARG 185 N -3.49 1.01 -0.12 0.00 3.52 -1.26 -0.71 118.95 117.89 1fml s ARG 185 Ca 0.09 -0.49 -0.37 0.00 -0.13 0.00 0.00 55.73 54.83 1fml s ARG 185 Cb 0.03 0.45 -0.14 0.00 -1.56 0.00 0.00 34.95 33.73 1fml s ARG 185 CO -0.03 -0.37 1.75 -3.47 -0.81 0.00 0.00 175.30 172.36 1fml n ASP 186 N 0.16 2.82 -0.31 -2.12 -0.08 -1.26 -4.81 116.55 110.96 1fml n ASP 186 Ca -0.17 1.04 -0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1fml n ASP 186 Cb 0.62 -1.27 0.06 0.00 2.34 0.00 0.00 41.12 42.87 1fml n ASP 186 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1fml h PRO 187 N 7.67 -0.04 -0.75 -0.67 0.11 -1.99 -0.33 132.00 135.98 1fml h PRO 187 Ca -0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1fml h PRO 187 Cb 1.29 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.34 1fml h PRO 187 CO 0.93 -0.03 0.38 0.00 -0.21 0.00 0.00 178.00 179.08 1fml h ARG 188 N -0.04 0.61 -0.03 1.05 3.08 -1.99 1.02 114.38 118.08 1fml h ARG 188 Ca 0.35 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.23 1fml h ARG 188 Cb 0.60 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1fml h ARG 188 CO -0.88 0.40 -0.60 -0.44 -1.07 0.00 0.00 179.97 177.39 1fml h ASP 189 N 0.63 0.11 -0.38 7.04 3.32 -1.55 -2.54 116.42 123.05 1fml h ASP 189 Ca 0.38 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 1fml h ASP 189 Cb 0.43 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1fml h ASP 189 CO -0.29 0.68 -0.30 0.58 -1.72 0.00 0.00 179.24 178.20 1fml h VAL 190 N 0.07 1.27 0.56 -1.35 2.07 0.82 -1.23 116.25 118.47 1fml h VAL 190 Ca -0.01 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1fml h VAL 190 Cb 1.07 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1fml h VAL 190 CO 0.08 0.49 -0.49 0.00 0.02 0.00 0.00 177.57 177.68 1fml h ALA 191 N 0.88 -1.13 -0.27 1.67 0.00 0.12 -0.86 119.26 119.67 1fml h ALA 191 Ca 0.08 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1fml h ALA 191 Cb 0.87 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 1fml h ALA 191 CO 0.08 -1.17 -0.44 0.28 0.00 0.00 0.00 179.25 178.00 1fml h VAL 192 N -1.03 0.11 -0.85 0.00 2.07 -1.35 -0.21 116.25 114.99 1fml h VAL 192 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1fml h VAL 192 Cb 0.87 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1fml h VAL 192 CO -0.02 0.00 0.55 -1.28 0.02 0.00 0.00 177.57 176.84 1fml h SER 193 N -0.42 0.73 -0.28 0.57 0.87 -1.09 -1.05 113.55 112.90 1fml h SER 193 Ca 0.10 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 1fml h SER 193 Cb 0.61 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1fml h SER 193 CO -0.49 0.43 -0.29 0.28 -0.53 0.00 0.00 176.83 176.23 1fml h SER 194 N 0.81 0.81 -0.35 6.23 0.02 -0.09 -1.38 113.55 119.60 1fml h SER 194 Ca 0.40 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1fml h SER 194 Cb 0.44 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1fml h SER 194 CO -0.16 1.05 0.11 0.15 -1.14 0.00 0.00 176.83 176.84 1fml h PHE 195 N 0.67 0.20 -0.17 3.45 3.57 0.26 -0.09 116.94 124.83 1fml h PHE 195 Ca 0.08 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1fml h PHE 195 Cb 0.83 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1fml h PHE 195 CO 0.04 0.08 -0.42 0.45 -2.23 0.00 0.00 178.31 176.23 1fml h HIS 196 N 0.25 0.47 -0.35 0.41 3.86 -1.36 -2.70 115.15 115.73 1fml h HIS 196 Ca 0.16 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1fml h HIS 196 Cb 0.14 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1fml h HIS 196 CO -0.15 0.75 -0.23 1.25 0.86 0.00 0.00 177.93 180.41 1fml h HIS 197 N 0.32 0.79 -0.00 2.45 -0.00 -0.76 0.09 115.15 118.03 1fml h HIS 197 Ca 0.03 -0.18 -0.09 0.00 -0.00 0.00 0.00 60.37 60.13 1fml h HIS 197 Cb 0.88 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 1fml h HIS 197 CO 0.02 0.87 -0.42 0.00 -0.00 0.00 0.00 177.93 178.41 1fml h ALA 198 N 1.13 1.31 -0.18 5.26 0.00 -0.90 -2.47 119.26 123.41 1fml h ALA 198 Ca 0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1fml h ALA 198 Cb 0.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fml h ALA 198 CO 0.06 0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.57 1fml h ARG 199 N 0.01 0.49 -0.78 0.00 2.47 -1.02 0.13 114.38 115.68 1fml h ARG 199 Ca -0.00 -0.29 0.18 0.00 -1.26 0.00 0.00 59.98 58.61 1fml h ARG 199 Cb 0.74 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.96 1fml h ARG 199 CO 0.05 0.88 0.16 1.25 0.56 0.00 0.00 179.97 182.88 1fml h LEU 200 N 0.14 -0.05 -3.32 3.04 5.85 -0.55 -0.80 115.31 119.62 1fml h LEU 200 Ca 0.02 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1fml h LEU 200 Cb 0.83 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1fml h LEU 200 CO 0.06 -0.09 0.00 0.18 -0.34 0.00 0.00 178.44 178.25 1fml n LEU 201 N -5.21 5.28 -3.70 2.25 4.77 -1.09 0.35 117.00 119.66 1fml n LEU 201 Ca 0.16 -2.68 -0.22 0.00 -0.03 0.00 0.00 56.01 53.25 1fml n LEU 201 Cb 0.52 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1fml n LEU 201 CO 0.10 0.66 -0.07 -1.22 -1.33 0.00 0.00 177.39 175.52 1fml n TYR 202 N 0.75 -1.91 -0.07 -1.77 4.02 -0.31 -4.93 117.16 112.94 1fml n TYR 202 Ca 0.26 0.82 -0.05 0.00 -0.01 0.00 0.00 57.90 58.92 1fml n TYR 202 Cb 1.08 -4.31 -0.15 0.00 -0.02 0.00 0.00 39.34 35.93 1fml n TYR 202 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1fml n LEU 203 N -4.24 0.14 -4.87 7.72 4.77 0.45 -4.88 117.00 116.09 1fml n LEU 203 Ca -0.29 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.41 1fml n LEU 203 Cb 0.67 0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 42.06 1fml n LEU 203 CO 0.68 0.37 0.02 -0.76 -1.33 0.00 0.00 177.39 176.38 1fml s LEU 204 N -5.39 4.37 0.06 2.23 1.43 -1.24 -4.43 118.68 115.72 1fml s LEU 204 Ca -0.09 0.71 -0.32 0.00 -1.03 0.00 0.00 54.13 53.41 1fml s LEU 204 Cb 0.08 -2.83 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 1fml s LEU 204 CO 0.84 0.22 1.84 0.59 0.23 0.00 0.00 176.35 180.07 1fml n ASN 205 N 1.06 3.79 0.20 2.29 3.02 0.63 -4.72 115.26 121.53 1fml n ASN 205 Ca -0.10 0.98 0.07 0.00 -0.03 0.00 0.00 54.58 55.50 1fml n ASN 205 Cb 0.53 -1.48 0.35 0.00 -0.61 0.00 0.00 39.78 38.56 1fml n ASN 205 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1fml h LYS 206 N 8.72 0.00 0.00 3.52 -0.00 -1.95 -2.81 116.57 124.06 1fml h LYS 206 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 1fml h LYS 206 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1fml h LYS 206 CO 0.94 0.00 0.00 1.04 -0.00 0.00 0.00 179.45 181.43 1fml n GLN 207 N -2.15 0.00 -1.07 0.07 1.13 -1.26 -4.94 117.38 109.16 1fml n GLN 207 Ca -0.01 0.08 -0.36 0.00 -1.94 0.00 0.00 57.00 54.77 1fml n GLN 207 Cb 0.43 -0.79 0.02 0.00 0.11 0.00 0.00 30.24 30.01 1fml n GLN 207 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1fml n SER 208 N -0.74 -4.72 -1.17 1.08 3.41 -1.06 -5.04 113.62 105.39 1fml n SER 208 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1fml n SER 208 Cb 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1fml n SER 208 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1fml n ASN 209 N 2.90 1.17 0.06 4.04 0.23 -1.26 -4.91 115.26 117.49 1fml n ASN 209 Ca 0.03 -0.58 -0.09 0.00 -0.53 0.00 0.00 54.58 53.40 1fml n ASN 209 Cb 0.49 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.23 1fml n ASN 209 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1fml h PHE 210 N 0.34 0.48 -0.37 -2.53 3.57 -1.97 -2.78 116.94 113.67 1fml h PHE 210 Ca 0.00 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1fml h PHE 210 Cb 0.00 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1fml h PHE 210 CO 0.00 0.97 0.23 -0.22 -2.23 0.00 0.00 178.31 177.06 1fml h LYS 211 N 0.23 0.45 -0.21 1.11 3.64 -1.97 0.42 116.57 120.24 1fml h LYS 211 Ca -0.03 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1fml h LYS 211 Cb 1.32 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1fml h LYS 211 CO 0.12 0.30 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.04 1fml h ASP 212 N 0.46 -0.39 -0.17 4.20 3.32 -1.95 0.17 116.42 122.05 1fml h ASP 212 Ca 0.14 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.32 1fml h ASP 212 Cb -0.01 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1fml h ASP 212 CO -0.06 -0.15 -0.03 0.15 -1.72 0.00 0.00 179.24 177.43 1fml h PHE 213 N -0.10 -0.07 -0.79 4.55 3.57 -1.06 -2.13 116.94 120.91 1fml h PHE 213 Ca 0.12 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1fml h PHE 213 Cb 0.28 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1fml h PHE 213 CO -0.28 -0.06 0.48 2.35 -2.23 0.00 0.00 178.31 178.57 1fml h TRP 214 N 0.01 0.90 -0.82 0.41 2.91 0.51 0.21 115.95 120.08 1fml h TRP 214 Ca 0.08 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.18 1fml h TRP 214 Cb 0.12 -0.29 -0.06 0.00 -0.51 0.00 0.00 29.16 28.42 1fml h TRP 214 CO -0.19 0.47 0.51 0.93 -1.03 0.00 0.00 178.44 179.13 1fml h GLU 215 N 0.90 0.91 -0.31 2.65 4.39 -0.21 -1.64 114.58 121.28 1fml h GLU 215 Ca 0.34 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 1fml h GLU 215 Cb 0.12 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1fml h GLU 215 CO -0.15 0.60 -0.15 1.98 -1.16 0.00 0.00 179.01 180.13 1fml h MET 216 N 0.94 0.64 0.82 2.33 4.05 -0.65 -3.21 114.93 119.85 1fml h MET 216 Ca 0.35 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1fml h MET 216 Cb 0.14 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1fml h MET 216 CO -0.16 0.87 -0.40 0.35 0.23 0.00 0.00 176.91 177.80 1fml h PHE 217 N 0.40 -1.02 0.00 1.39 3.57 0.10 -0.97 116.94 120.41 1fml h PHE 217 Ca 0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1fml h PHE 217 Cb 0.68 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1fml h PHE 217 CO 0.06 -0.63 0.00 -2.39 -2.23 0.00 0.00 178.31 173.12 1fml n HIS 218 N -5.54 0.00 0.47 0.41 1.44 -0.69 -1.94 115.22 109.38 1fml n HIS 218 Ca -0.15 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.67 1fml n HIS 218 Cb 0.44 -0.40 0.27 0.00 0.12 0.00 0.00 29.99 30.42 1fml n HIS 218 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1fml n ARG 219 N -1.40 2.27 -2.99 -1.40 0.63 -1.17 -4.96 116.66 107.64 1fml n ARG 219 Ca 0.06 -1.94 -0.15 0.00 -0.92 0.00 0.00 57.85 54.90 1fml n ARG 219 Cb 0.18 -1.46 0.04 0.00 0.45 0.00 0.00 32.46 31.66 1fml n ARG 219 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fml n GLY 220 N 1.39 -0.08 0.18 5.14 0.00 -0.82 -4.93 105.19 106.07 1fml n GLY 220 Ca 0.19 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1fml n GLY 220 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fml n LEU 221 N -3.12 2.52 -4.43 0.99 4.77 -0.38 -4.50 117.00 112.85 1fml n LEU 221 Ca -0.04 -3.13 -0.26 0.00 -0.03 0.00 0.00 56.01 52.55 1fml n LEU 221 Cb 0.56 -0.45 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 1fml n LEU 221 CO 0.37 0.75 -0.52 -0.47 -1.33 0.00 0.00 177.39 176.19 1fml s TYR 222 N -2.90 2.28 -0.13 -1.77 5.04 -1.25 -4.85 117.35 113.76 1fml s TYR 222 Ca 0.33 -0.36 -0.24 0.00 -2.44 0.00 0.00 57.07 54.36 1fml s TYR 222 Cb 0.29 -1.09 -0.11 0.00 0.35 0.00 0.00 41.96 41.40 1fml s TYR 222 CO 0.03 0.55 0.74 2.41 -1.34 0.00 0.00 175.55 177.94 1fml n THR 223 N 0.04 0.00 -2.37 4.34 -1.04 -1.26 -1.05 114.28 112.94 1fml n THR 223 Ca -0.11 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.75 1fml n THR 223 Cb 0.57 -0.13 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 1fml n THR 223 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1fml n LEU 224 N 1.50 -1.38 -4.90 -4.42 4.32 0.38 -4.90 117.00 107.60 1fml n LEU 224 Ca 0.14 0.14 -0.21 0.00 -0.02 0.00 0.00 56.01 56.06 1fml n LEU 224 Cb 0.01 -2.38 -0.02 0.00 -1.62 0.00 0.00 43.42 39.41 1fml n LEU 224 CO 0.42 -0.19 0.05 0.42 -1.22 0.00 0.00 177.39 176.87 1fml s THR 225 N -2.72 2.46 -0.24 -5.08 -4.23 -0.21 -4.65 115.64 100.97 1fml s THR 225 Ca 0.00 -1.32 -0.41 0.00 -1.18 0.00 0.00 61.69 58.79 1fml s THR 225 Cb 0.00 -2.77 -0.17 0.00 1.34 0.00 0.00 72.50 70.90 1fml s THR 225 CO 0.00 0.00 1.59 -2.65 -0.54 0.00 0.00 174.62 173.02 1fml n PRO 226 N -1.67 0.83 -0.21 3.99 -0.02 -1.26 -0.09 135.00 136.57 1fml n PRO 226 Ca 0.04 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1fml n PRO 226 Cb 0.62 -1.93 0.08 0.00 -0.02 0.00 0.00 33.50 32.25 1fml n PRO 226 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1fml h TYR 227 N 5.97 0.59 -0.05 6.00 3.20 -1.85 -2.96 116.97 127.86 1fml h TYR 227 Ca -0.47 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.28 1fml h TYR 227 Cb 1.34 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1fml h TYR 227 CO 0.70 0.28 -0.63 0.74 -1.64 0.00 0.00 178.16 177.61 1fml h PHE 228 N 0.60 0.26 -0.38 -3.82 -1.00 -1.98 -2.81 116.94 107.82 1fml h PHE 228 Ca 0.27 -0.10 -0.09 0.00 2.81 0.00 0.00 57.97 60.86 1fml h PHE 228 Cb 0.18 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1fml h PHE 228 CO -0.09 0.78 -0.13 0.93 -1.61 0.00 0.00 178.31 178.18 1fml h GLU 229 N 0.15 0.68 0.53 1.51 4.39 -1.97 0.16 114.58 120.03 1fml h GLU 229 Ca -0.01 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1fml h GLU 229 Cb 1.14 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1fml h GLU 229 CO 0.10 0.78 -0.33 1.25 -1.16 0.00 0.00 179.01 179.65 1fml h HIS 230 N 0.61 -0.86 -0.06 4.33 2.76 -1.42 -1.06 115.15 119.45 1fml h HIS 230 Ca 0.10 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1fml h HIS 230 Cb 0.58 0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 1fml h HIS 230 CO 0.03 -0.50 0.03 0.28 -1.30 0.00 0.00 177.93 176.47 1fml h VAL 231 N -0.82 1.07 -0.40 5.26 2.07 -1.31 -2.77 116.25 119.35 1fml h VAL 231 Ca -0.06 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1fml h VAL 231 Cb 0.66 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1fml h VAL 231 CO 0.06 0.06 0.28 0.11 0.02 0.00 0.00 177.57 178.10 1fml h LYS 232 N 0.02 0.13 -0.24 1.57 1.57 -0.58 -0.14 116.57 118.90 1fml h LYS 232 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1fml h LYS 232 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1fml h LYS 232 CO -0.00 0.08 0.11 0.93 -0.57 0.00 0.00 179.45 180.00 1fml h GLU 233 N 0.13 0.35 -0.38 3.15 5.08 -0.89 -1.92 114.58 120.10 1fml h GLU 233 Ca 0.19 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1fml h GLU 233 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1fml h GLU 233 CO -0.02 0.37 -0.29 0.00 -1.00 0.00 0.00 179.01 178.07 1fml h ALA 234 N 0.96 0.55 -0.52 3.43 0.00 -1.33 -3.23 119.26 119.12 1fml h ALA 234 Ca 0.08 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1fml h ALA 234 Cb 0.15 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1fml h ALA 234 CO -0.01 0.58 -0.44 2.35 0.00 0.00 0.00 179.25 181.73 1fml h TRP 235 N 0.68 -1.29 0.00 0.00 2.91 -0.76 0.23 115.95 117.72 1fml h TRP 235 Ca 0.07 0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1fml h TRP 235 Cb 0.87 0.64 0.00 0.00 -0.51 0.00 0.00 29.16 30.16 1fml h TRP 235 CO 0.06 -0.43 0.15 0.00 -1.03 0.00 0.00 178.44 177.19 1fml n ALA 236 N -3.12 0.79 -0.03 2.65 0.00 -0.75 -0.93 120.51 119.12 1fml n ALA 236 Ca 0.01 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.61 1fml n ALA 236 Cb 0.35 -0.93 0.14 0.00 0.00 0.00 0.00 19.45 19.01 1fml n ALA 236 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fml n LYS 237 N -1.87 2.36 0.28 0.00 4.76 0.79 -4.66 118.16 119.82 1fml n LYS 237 Ca -0.01 -1.89 0.15 0.00 -2.87 0.00 0.00 58.31 53.69 1fml n LYS 237 Cb 0.17 -1.28 0.81 0.00 -1.84 0.00 0.00 35.03 32.89 1fml n LYS 237 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1fml h ARG 238 N 2.22 0.00 -1.26 1.97 0.11 -0.81 -2.62 114.38 114.00 1fml h ARG 238 Ca 0.00 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 1fml h ARG 238 Cb 0.69 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.61 1fml h ARG 238 CO 0.00 0.08 0.41 0.72 0.10 0.00 0.00 179.97 181.28 1fml n HIS 239 N -3.49 1.67 -4.70 4.08 8.25 -1.26 -4.83 115.22 114.94 1fml n HIS 239 Ca -0.02 -1.69 -0.33 0.00 -0.26 0.00 0.00 57.72 55.42 1fml n HIS 239 Cb 0.21 -0.83 -0.13 0.00 1.12 0.00 0.00 29.99 30.36 1fml n HIS 239 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1fml s ASP 240 N -0.10 4.36 0.50 0.41 -1.08 -0.99 -5.01 116.67 114.76 1fml s ASP 240 Ca 0.32 -0.15 0.24 0.00 -0.52 0.00 0.00 52.55 52.44 1fml s ASP 240 Cb 0.26 -1.25 1.32 0.00 -1.46 0.00 0.00 42.92 41.78 1fml s ASP 240 CO 0.02 0.29 1.96 -0.65 0.52 0.00 0.00 175.17 177.32 1fml h PRO 241 N 5.78 0.11 -0.69 4.34 0.11 -1.89 -1.89 132.00 137.86 1fml h PRO 241 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1fml h PRO 241 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1fml h PRO 241 CO 0.54 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.49 1fml n ASN 242 N -4.39 3.70 -4.21 -2.05 3.02 -1.26 -4.90 115.26 105.17 1fml n ASN 242 Ca 0.12 -2.00 -0.31 0.00 -0.03 0.00 0.00 54.58 52.36 1fml n ASN 242 Cb 0.63 -0.46 -0.17 0.00 -0.61 0.00 0.00 39.78 39.18 1fml n ASN 242 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1fml s MET 243 N -1.08 2.83 -0.29 3.52 1.75 -0.71 -0.69 119.30 124.64 1fml s MET 243 Ca 0.46 -0.85 0.01 0.00 -1.25 0.00 0.00 55.69 54.07 1fml s MET 243 Cb 0.24 -2.20 0.08 0.00 2.84 0.00 0.00 34.83 35.80 1fml s MET 243 CO 0.31 0.21 0.01 -1.17 -0.65 0.00 0.00 175.02 173.74 1fml s LEU 244 N 0.25 3.22 -0.19 4.11 2.96 -0.37 -4.58 118.68 124.09 1fml s LEU 244 Ca -0.15 -1.61 -0.21 0.00 -0.22 0.00 0.00 54.13 51.94 1fml s LEU 244 Cb -0.17 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1fml s LEU 244 CO 0.07 -0.32 0.65 0.12 -1.32 0.00 0.00 176.35 175.55 1fml s PHE 245 N 1.28 3.39 0.14 5.38 5.36 -1.26 -1.07 117.98 131.20 1fml s PHE 245 Ca 0.03 0.98 0.05 0.00 -0.96 0.00 0.00 56.93 57.03 1fml s PHE 245 Cb -0.19 -2.82 -0.04 0.00 -0.34 0.00 0.00 43.02 39.64 1fml s PHE 245 CO -0.11 -0.16 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.85 1fml s LEU 246 N 1.85 2.48 -0.13 6.12 1.43 0.14 -4.98 118.68 125.59 1fml s LEU 246 Ca 0.30 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1fml s LEU 246 Cb -0.16 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1fml s LEU 246 CO 0.11 -0.23 -0.13 -0.36 0.23 0.00 0.00 176.35 175.97 1fml s PHE 247 N -2.73 2.81 0.44 0.29 0.40 -1.26 -0.92 117.98 117.01 1fml s PHE 247 Ca 0.14 -0.63 0.17 0.00 -0.60 0.00 0.00 56.93 56.01 1fml s PHE 247 Cb -0.01 -1.84 1.09 0.00 0.51 0.00 0.00 43.02 42.77 1fml s PHE 247 CO 0.02 -0.20 1.94 -0.92 0.70 0.00 0.00 175.22 176.76 1fml h TYR 248 N 6.67 0.42 -0.78 0.36 3.20 -1.09 0.13 116.97 125.88 1fml h TYR 248 Ca -0.26 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 1fml h TYR 248 Cb 1.21 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 1fml h TYR 248 CO 0.50 0.16 0.32 0.93 -1.64 0.00 0.00 178.16 178.44 1fml h GLU 249 N 0.36 1.15 -0.17 1.82 3.07 -1.92 -2.46 114.58 116.43 1fml h GLU 249 Ca 0.35 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1fml h GLU 249 Cb 0.84 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1fml h GLU 249 CO -0.10 0.92 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.84 1fml h ASP 250 N 1.12 0.26 -0.80 1.42 3.32 -1.37 -0.63 116.42 119.75 1fml h ASP 250 Ca 0.26 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.30 1fml h ASP 250 Cb 0.20 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1fml h ASP 250 CO -0.02 0.44 0.52 1.88 -1.72 0.00 0.00 179.24 180.34 1fml h TYR 251 N 0.26 0.91 0.11 4.55 0.99 -1.31 0.40 116.97 122.88 1fml h TYR 251 Ca 0.05 0.02 -0.29 0.00 2.00 0.00 0.00 58.73 60.51 1fml h TYR 251 Cb 0.42 -0.30 0.02 0.00 1.00 0.00 0.00 36.73 37.88 1fml h TYR 251 CO 0.01 0.50 -1.22 -0.07 -0.00 0.00 0.00 178.16 177.38 1fml h LEU 252 N 0.92 0.80 0.08 3.88 3.38 -1.29 -3.00 115.31 120.09 1fml h LEU 252 Ca 0.33 -0.74 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1fml h LEU 252 Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1fml h LEU 252 CO -0.11 1.55 -0.04 0.11 0.09 0.00 0.00 178.44 180.04 1fml h LYS 253 N 0.25 -0.11 -2.30 1.13 1.57 -0.60 -3.42 116.57 113.10 1fml h LYS 253 Ca -0.17 0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 58.03 1fml h LYS 253 Cb 1.89 0.02 -0.38 0.00 0.08 0.00 0.00 32.23 33.85 1fml h LYS 253 CO 0.23 0.38 -0.99 -3.47 -0.57 0.00 0.00 179.45 175.03 1fml n ASP 254 N -4.89 -0.46 -0.04 0.86 2.03 0.13 -4.98 116.55 109.21 1fml n ASP 254 Ca -0.08 -2.41 -0.11 0.00 0.52 0.00 0.00 54.79 52.71 1fml n ASP 254 Cb 0.27 -0.53 -0.04 0.00 -0.72 0.00 0.00 41.12 40.09 1fml n ASP 254 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1fml h LEU 255 N 5.44 0.21 -1.23 -2.67 5.85 -1.64 -0.99 115.31 120.29 1fml h LEU 255 Ca 0.25 -0.08 0.18 0.00 0.84 0.00 0.00 57.88 59.06 1fml h LEU 255 Cb 0.91 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 1fml h LEU 255 CO 0.38 0.24 0.60 -0.65 -0.34 0.00 0.00 178.44 178.67 1fml h PRO 256 N 0.17 0.64 0.00 5.25 0.11 -1.90 -0.05 132.00 136.23 1fml h PRO 256 Ca 0.06 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.95 1fml h PRO 256 Cb 0.07 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1fml h PRO 256 CO -0.01 0.42 -0.84 0.78 -0.21 0.00 0.00 178.00 178.14 1fml h GLY 257 N 0.66 0.00 0.91 -0.55 0.00 -1.85 -2.81 103.07 99.42 1fml h GLY 257 Ca 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.71 1fml h GLY 257 CO -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 175.88 1fml h ILE 259 N 0.24 0.91 -0.44 0.00 2.04 -1.11 -1.98 117.51 117.18 1fml h ILE 259 Ca 0.00 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1fml h ILE 259 Cb 1.00 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.83 1fml h ILE 259 CO 0.09 0.01 -0.31 0.00 0.00 0.00 0.00 178.15 177.94 1fml h ALA 260 N 1.12 -0.11 -0.56 1.87 0.00 -1.48 0.12 119.26 120.22 1fml h ALA 260 Ca 0.07 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1fml h ALA 260 Cb 0.07 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1fml h ALA 260 CO -0.11 -0.69 0.15 0.00 0.00 0.00 0.00 179.25 178.60 1fml h ARG 261 N -0.22 0.29 -0.19 0.00 3.08 -1.10 0.26 114.38 116.50 1fml h ARG 261 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1fml h ARG 261 Cb 0.53 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1fml h ARG 261 CO -0.56 0.19 0.12 0.82 -1.07 0.00 0.00 179.97 179.47 1fml h ILE 262 N 0.30 1.03 0.19 2.04 2.04 -0.37 0.90 117.51 123.65 1fml h ILE 262 Ca 0.29 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1fml h ILE 262 Cb 0.39 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1fml h ILE 262 CO -0.34 0.04 -0.13 0.00 0.00 0.00 0.00 178.15 177.72 1fml h ALA 263 N 1.08 -0.31 -0.62 1.87 0.00 -0.47 0.40 119.26 121.20 1fml h ALA 263 Ca 0.07 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1fml h ALA 263 Cb -0.02 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 1fml h ALA 263 CO -0.03 -0.69 0.16 0.22 0.00 0.00 0.00 179.25 178.92 1fml h ASP 264 N -0.33 0.07 0.26 0.00 3.58 -0.76 0.28 116.42 119.51 1fml h ASP 264 Ca -0.01 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1fml h ASP 264 Cb 0.28 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1fml h ASP 264 CO 0.00 0.04 -0.12 0.15 -2.88 0.00 0.00 179.24 176.42 1fml h PHE 265 N 0.30 -0.32 0.00 0.28 3.57 -0.04 -2.43 116.94 118.30 1fml h PHE 265 Ca 0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1fml h PHE 265 Cb 0.48 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1fml h PHE 265 CO -0.23 -0.18 0.00 1.28 -2.23 0.00 0.00 178.31 176.95 1fml n LEU 266 N -5.23 0.00 -0.30 0.59 4.77 0.13 -4.85 117.00 112.11 1fml n LEU 266 Ca -0.10 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1fml n LEU 266 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1fml n LEU 266 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1fml n GLY 267 N 0.20 0.66 3.54 -0.72 0.00 -0.41 -5.03 105.19 103.43 1fml n GLY 267 Ca 0.11 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1fml n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fml s LYS 268 N -4.54 1.82 -0.32 1.61 -0.14 0.84 -5.00 119.74 114.00 1fml s LYS 268 Ca 0.00 -2.03 -0.02 0.00 -1.36 0.00 0.00 55.97 52.57 1fml s LYS 268 Cb -0.00 -1.21 0.11 0.00 -1.68 0.00 0.00 37.83 35.04 1fml s LYS 268 CO 0.01 -0.15 0.14 0.15 -0.76 0.00 0.00 175.35 174.74 1fml s LYS 269 N -3.81 0.54 0.28 1.68 -0.14 -1.26 -3.70 119.74 113.34 1fml s LYS 269 Ca 0.34 -0.99 -0.16 0.00 -1.36 0.00 0.00 55.97 53.80 1fml s LYS 269 Cb 0.09 -1.60 -0.09 0.00 -1.68 0.00 0.00 37.83 34.55 1fml s LYS 269 CO 0.16 -1.05 0.71 -0.51 -0.76 0.00 0.00 175.35 173.90 1fml s LEU 270 N 1.60 4.15 0.51 3.17 1.43 -1.26 -5.07 118.68 123.21 1fml s LEU 270 Ca 0.11 1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 1fml s LEU 270 Cb -0.18 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.15 1fml s LEU 270 CO -0.23 -0.12 0.76 -0.94 0.23 0.00 0.00 176.35 176.05 1fml s SER 271 N -2.09 5.69 0.45 2.29 1.04 -1.26 -4.80 113.70 115.03 1fml s SER 271 Ca 0.50 0.41 0.27 0.00 0.48 0.00 0.00 55.95 57.61 1fml s SER 271 Cb -0.12 -1.53 1.33 0.00 0.10 0.00 0.00 66.02 65.79 1fml s SER 271 CO 0.19 -0.87 1.74 -0.33 0.98 0.00 0.00 173.24 174.94 1fml h GLU 272 N 0.17 0.19 -0.33 4.02 4.39 -1.99 0.32 114.58 121.35 1fml h GLU 272 Ca -0.45 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.07 1fml h GLU 272 Cb 1.26 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1fml h GLU 272 CO 0.58 0.13 -0.46 0.93 -1.16 0.00 0.00 179.01 179.03 1fml h GLU 273 N 0.20 0.86 -0.09 2.33 4.39 -1.98 -1.57 114.58 118.72 1fml h GLU 273 Ca 0.65 -0.49 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 1fml h GLU 273 Cb 2.05 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1fml h GLU 273 CO -0.23 1.13 -0.38 1.96 -1.16 0.00 0.00 179.01 180.33 1fml h GLN 274 N 0.69 0.42 -0.74 2.33 4.20 -0.78 0.41 115.11 121.64 1fml h GLN 274 Ca 0.04 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 1fml h GLN 274 Cb 1.05 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 1fml h GLN 274 CO 0.10 0.96 0.39 0.82 -0.67 0.00 0.00 178.83 180.44 1fml h ILE 275 N -0.02 1.22 -0.19 2.54 2.04 -1.26 -0.55 117.51 121.29 1fml h ILE 275 Ca -0.02 -0.58 -0.13 0.00 1.00 0.00 0.00 64.86 65.13 1fml h ILE 275 Cb 1.02 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1fml h ILE 275 CO 0.08 0.25 -0.40 -0.61 0.00 0.00 0.00 178.15 177.47 1fml h GLN 276 N 1.04 0.61 0.00 2.37 -0.00 -1.19 -1.78 115.11 116.17 1fml h GLN 276 Ca 0.26 -0.40 -0.01 0.00 -0.00 0.00 0.00 58.65 58.50 1fml h GLN 276 Cb 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1fml h GLN 276 CO -0.04 1.02 -0.03 -0.09 0.00 0.00 0.00 178.83 179.69 1fml h ARG 277 N 0.28 0.00 0.18 1.69 2.43 0.30 -1.63 114.38 117.64 1fml h ARG 277 Ca 0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.86 1fml h ARG 277 Cb 1.00 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1fml h ARG 277 CO 0.09 0.03 -1.47 -0.07 -1.51 0.00 0.00 179.97 177.04 1fml h LEU 278 N 0.00 0.60 -0.58 3.80 3.38 -0.94 -3.22 115.31 118.34 1fml h LEU 278 Ca -0.00 -0.70 0.06 0.00 0.09 0.00 0.00 57.88 57.32 1fml h LEU 278 Cb 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1fml h LEU 278 CO 0.00 1.56 0.30 0.00 0.09 0.00 0.00 178.44 180.40 1fml h GLU 280 N 0.56 0.60 0.00 0.00 4.11 -1.58 -2.15 114.58 116.12 1fml h GLU 280 Ca 0.26 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1fml h GLU 280 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1fml h GLU 280 CO -0.18 0.64 0.00 1.25 0.07 0.00 0.00 179.01 180.78 1fml h HIS 281 N 0.56 0.00 -0.59 2.06 2.76 -1.20 -2.42 115.15 116.32 1fml h HIS 281 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1fml h HIS 281 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1fml h HIS 281 CO 0.02 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.93 1fml n LEU 282 N -3.07 4.17 -4.71 0.26 7.99 -0.55 -4.57 117.00 116.51 1fml n LEU 282 Ca 0.00 -2.29 -0.43 0.00 -0.01 0.00 0.00 56.01 53.28 1fml n LEU 282 Cb 0.28 -0.49 -0.02 0.00 -0.11 0.00 0.00 43.42 43.08 1fml n LEU 282 CO 0.26 0.84 1.09 -3.20 -1.51 0.00 0.00 177.39 174.87 1fml n ASN 283 N 1.04 3.20 0.01 -1.43 2.85 -0.91 -4.78 115.26 115.24 1fml n ASN 283 Ca 0.23 1.15 -0.13 0.00 -0.11 0.00 0.00 54.58 55.73 1fml n ASN 283 Cb 0.74 -1.50 -0.06 0.00 1.24 0.00 0.00 39.78 40.19 1fml n ASN 283 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1fml h PHE 284 N 4.17 -1.20 -0.71 1.20 3.57 -1.92 0.20 116.94 122.24 1fml h PHE 284 Ca -0.46 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1fml h PHE 284 Cb 1.26 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 40.50 1fml h PHE 284 CO 0.56 -0.48 0.41 0.93 -2.23 0.00 0.00 178.31 177.50 1fml h GLU 285 N -0.51 0.97 -0.39 1.11 4.39 -1.97 0.53 114.58 118.71 1fml h GLU 285 Ca 0.07 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1fml h GLU 285 Cb 0.63 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1fml h GLU 285 CO -0.38 0.70 -0.19 -0.22 -1.16 0.00 0.00 179.01 177.76 1fml h LYS 286 N 0.99 0.75 0.13 2.33 3.64 -1.79 -2.45 116.57 120.17 1fml h LYS 286 Ca 0.25 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1fml h LYS 286 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1fml h LYS 286 CO -0.04 0.88 -0.06 0.35 -2.27 0.00 0.00 179.45 178.31 1fml h PHE 287 N 0.66 -0.16 -0.48 1.91 3.57 0.04 -2.69 116.94 119.79 1fml h PHE 287 Ca 0.10 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.73 1fml h PHE 287 Cb 0.68 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1fml h PHE 287 CO 0.03 0.30 0.62 -0.22 -2.23 0.00 0.00 178.31 176.81 1fml h LYS 288 N -0.87 0.00 -0.29 1.11 3.64 0.04 0.62 116.57 120.82 1fml h LYS 288 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1fml h LYS 288 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1fml h LYS 288 CO 0.03 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.30 1fml n ASN 289 N -3.46 2.90 -4.62 4.20 3.02 -0.93 -4.85 115.26 111.53 1fml n ASN 289 Ca 0.09 -1.86 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 1fml n ASN 289 Cb 0.80 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 1fml n ASN 289 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fml s ASN 290 N -1.14 6.76 0.58 6.41 3.84 0.22 -4.91 114.94 126.70 1fml s ASN 290 Ca 0.27 0.71 0.30 0.00 0.21 0.00 0.00 52.86 54.35 1fml s ASN 290 Cb 0.16 -2.54 1.78 0.00 -0.55 0.00 0.00 41.25 40.10 1fml s ASN 290 CO 0.21 -1.07 2.23 1.23 -2.79 0.00 0.00 177.10 176.91 1fml h GLY 291 N 10.68 0.00 2.00 1.21 0.00 -1.91 -1.64 103.07 113.41 1fml h GLY 291 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1fml h GLY 291 CO 1.08 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 177.54 1fml h ALA 292 N 1.98 0.99 0.00 3.60 0.00 -1.90 -3.35 119.26 120.58 1fml h ALA 292 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fml h ALA 292 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fml h ALA 292 CO 0.00 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.68 1fml n VAL 293 N -3.18 0.00 0.81 0.00 0.24 -0.94 -1.03 118.33 114.23 1fml n VAL 293 Ca 0.01 -0.36 0.11 0.00 -2.04 0.00 0.00 64.34 62.06 1fml n VAL 293 Cb 0.40 1.22 0.29 0.00 -1.47 0.00 0.00 33.84 34.28 1fml n VAL 293 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1fml n ASN 294 N -0.16 2.51 -1.06 -1.34 0.23 -0.66 -4.93 115.26 109.85 1fml n ASN 294 Ca 0.00 -1.85 -0.10 0.00 -0.53 0.00 0.00 54.58 52.10 1fml n ASN 294 Cb 0.06 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.54 1fml n ASN 294 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1fml n MET 295 N 0.88 -1.45 0.10 -3.83 2.81 -1.26 -4.38 117.12 109.99 1fml n MET 295 Ca 0.17 0.65 0.10 0.00 -1.81 0.00 0.00 57.70 56.82 1fml n MET 295 Cb 0.46 -4.77 0.44 0.00 -0.71 0.00 0.00 33.22 28.64 1fml n MET 295 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1fml n GLU 296 N -1.28 0.14 0.03 0.03 -0.58 -1.26 -1.72 120.64 116.00 1fml n GLU 296 Ca -0.10 0.39 -0.01 0.00 -0.42 0.00 0.00 57.16 57.02 1fml n GLU 296 Cb 0.39 -1.77 0.27 0.00 -0.57 0.00 0.00 31.44 29.76 1fml n GLU 296 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1fml h ASP 297 N 0.00 0.43 -0.54 1.62 2.03 -1.87 -1.95 116.42 116.15 1fml h ASP 297 Ca 0.00 -0.11 0.03 0.00 -0.73 0.00 0.00 57.03 56.22 1fml h ASP 297 Cb 0.31 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 38.66 1fml h ASP 297 CO 0.00 0.60 0.36 1.88 -1.03 0.00 0.00 179.24 181.05 1fml h TYR 298 N 0.42 0.61 -0.80 4.15 -1.99 -1.72 -1.66 116.97 115.98 1fml h TYR 298 Ca 0.08 0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.90 1fml h TYR 298 Cb 0.49 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 38.96 1fml h TYR 298 CO 0.01 0.37 0.52 -0.09 -0.00 0.00 0.00 178.16 178.97 1fml h ARG 299 N 0.64 0.80 -0.46 4.88 2.43 -1.48 -0.29 114.38 120.90 1fml h ARG 299 Ca 0.21 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1fml h ARG 299 Cb 0.05 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1fml h ARG 299 CO -0.05 0.53 0.23 1.49 -1.51 0.00 0.00 179.97 180.66 1fml h GLU 300 N 0.82 0.45 -0.74 0.20 4.22 -1.38 -2.00 114.58 116.15 1fml h GLU 300 Ca 0.35 -0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.92 1fml h GLU 300 Cb 0.31 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 1fml h GLU 300 CO -0.13 0.30 0.24 0.82 -2.18 0.00 0.00 179.01 178.06 1fml h ILE 301 N 0.47 0.58 0.00 2.32 2.04 -1.08 -3.42 117.51 118.41 1fml h ILE 301 Ca 0.20 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1fml h ILE 301 Cb 0.09 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1fml h ILE 301 CO -0.13 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.69 1fml n GLY 302 N -1.34 1.53 1.18 5.37 0.00 -0.75 -1.40 105.19 109.78 1fml n GLY 302 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1fml n GLY 302 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fml n ILE 303 N -0.37 2.23 -5.07 -0.61 -5.35 -1.25 -4.93 119.36 104.01 1fml n ILE 303 Ca 0.00 -1.61 -0.32 0.00 -0.27 0.00 0.00 62.75 60.55 1fml n ILE 303 Cb 0.00 -0.14 -0.15 0.00 -1.74 0.00 0.00 39.64 37.61 1fml n ILE 303 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1fml s LEU 304 N -2.53 2.38 0.34 7.28 1.43 -1.26 -4.57 118.68 121.76 1fml s LEU 304 Ca 0.44 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.87 1fml s LEU 304 Cb 0.34 -1.47 -0.10 0.00 0.03 0.00 0.00 46.19 44.99 1fml s LEU 304 CO 0.13 0.26 1.26 0.00 0.23 0.00 0.00 176.35 178.23 1fml s ALA 305 N -0.23 3.41 0.36 4.21 0.00 0.16 -4.96 121.76 124.70 1fml s ALA 305 Ca -0.01 1.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.84 1fml s ALA 305 Cb -0.13 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 1fml s ALA 305 CO 0.03 -0.58 1.46 -0.51 0.00 0.00 0.00 175.76 176.16 1fml s ASP 306 N -0.65 6.45 -0.08 0.00 1.01 -1.26 -2.39 116.67 119.74 1fml s ASP 306 Ca 0.50 2.96 0.00 0.00 0.71 0.00 0.00 52.55 56.72 1fml s ASP 306 Cb -0.37 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 40.90 1fml s ASP 306 CO 0.49 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.68 1fml n GLY 307 N 0.72 0.48 3.24 0.21 0.00 -1.26 -5.03 105.19 103.56 1fml n GLY 307 Ca 0.02 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 1fml n GLY 307 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fml s GLU 308 N -1.00 1.02 -0.05 1.61 0.41 -1.00 -5.07 118.70 114.62 1fml s GLU 308 Ca 0.00 -1.16 -0.12 0.00 -0.41 0.00 0.00 54.97 53.29 1fml s GLU 308 Cb 0.00 -1.07 0.02 0.00 -1.78 0.00 0.00 34.13 31.30 1fml s GLU 308 CO 0.00 0.23 0.27 -1.01 -0.49 0.00 0.00 175.26 174.26 1fml s HIS 309 N -1.61 -0.19 0.43 1.61 3.76 -1.26 -4.84 115.29 113.20 1fml s HIS 309 Ca 0.06 0.38 0.25 0.00 -0.15 0.00 0.00 55.06 55.60 1fml s HIS 309 Cb -0.08 0.07 1.39 0.00 1.11 0.00 0.00 32.58 35.08 1fml s HIS 309 CO 0.04 -0.28 2.07 0.35 -0.85 0.00 0.00 174.74 176.06 1fml h PHE 310 N 4.61 0.00 -3.75 1.40 3.57 -1.95 -3.36 116.94 117.46 1fml h PHE 310 Ca -0.29 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.56 1fml h PHE 310 Cb 1.18 0.00 -0.38 0.00 2.79 0.00 0.00 35.95 39.54 1fml h PHE 310 CO 0.49 0.12 -0.77 0.42 -2.23 0.00 0.00 178.31 176.35 1fml s ILE 311 N -4.30 2.06 0.00 1.41 1.01 -1.26 -5.06 121.20 115.05 1fml s ILE 311 Ca -0.03 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.81 1fml s ILE 311 Cb 0.14 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1fml s ILE 311 CO 0.60 -0.26 0.00 0.54 0.00 0.00 0.00 174.94 175.83 1fml n ARG 312 N 4.42 0.00 -0.11 2.79 1.74 -1.26 -4.94 116.66 119.30 1fml n ARG 312 Ca -0.07 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.78 1fml n ARG 312 Cb 0.42 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.75 1fml n ARG 312 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fml n LYS 313 N 0.00 0.63 -2.92 5.56 4.76 -1.26 -5.02 118.16 119.91 1fml n LYS 313 Ca 0.00 0.25 -0.14 0.00 -2.87 0.00 0.00 58.31 55.55 1fml n LYS 313 Cb 0.00 -1.55 0.03 0.00 -1.84 0.00 0.00 35.03 31.67 1fml n LYS 313 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fml n GLY 314 N 1.78 0.02 3.81 0.72 0.00 -1.26 -5.02 105.19 105.23 1fml n GLY 314 Ca -0.46 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1fml n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fml s LYS 315 N -5.49 2.45 -0.01 1.61 -0.14 -1.26 -5.07 119.74 111.83 1fml s LYS 315 Ca 0.26 -1.58 0.07 0.00 -1.36 0.00 0.00 55.97 53.37 1fml s LYS 315 Cb -0.12 -2.25 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 1fml s LYS 315 CO 0.32 -0.06 -0.23 0.00 -0.76 0.00 0.00 175.35 174.62 1fml s ALA 316 N -2.47 1.93 0.00 5.17 0.00 -1.26 -4.73 121.76 120.41 1fml s ALA 316 Ca 0.43 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1fml s ALA 316 Cb -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1fml s ALA 316 CO 0.25 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.89 1fml n GLY 317 N 2.47 0.49 0.11 0.00 0.00 -1.26 -4.91 105.19 102.08 1fml n GLY 317 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1fml n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fml h TRP 319 N 0.00 0.00 0.00 0.00 5.08 -1.91 -2.61 115.95 116.52 1fml h TRP 319 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1fml h TRP 319 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1fml h TRP 319 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1fml h ARG 320 N 0.00 0.00 -0.10 0.12 3.08 -1.90 -0.95 114.38 114.63 1fml h ARG 320 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fml h ARG 320 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1fml h ARG 320 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 1fml n ASP 321 N -2.56 1.64 0.00 7.04 8.00 -0.98 -4.16 116.55 125.52 1fml n ASP 321 Ca -0.00 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.88 1fml n ASP 321 Cb 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1fml n ASP 321 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1fml n TYR 322 N 0.29 0.00 -3.37 1.24 4.02 -0.42 -5.05 117.16 113.86 1fml n TYR 322 Ca 0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.68 1fml n TYR 322 Cb 0.35 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.61 1fml n TYR 322 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1fml s PHE 323 N -1.56 3.69 0.47 -0.72 0.40 -0.83 -4.91 117.98 114.52 1fml s PHE 323 Ca 0.00 1.06 0.02 0.00 -0.60 0.00 0.00 56.93 57.41 1fml s PHE 323 Cb 0.00 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 41.11 1fml s PHE 323 CO 0.00 0.49 0.67 0.16 0.70 0.00 0.00 175.22 177.24 1fml s ASP 324 N -0.61 5.61 0.28 1.36 3.84 -1.26 -4.84 116.67 121.06 1fml s ASP 324 Ca 0.26 0.02 0.03 0.00 -0.00 0.00 0.00 52.55 52.85 1fml s ASP 324 Cb -0.17 -1.12 0.67 0.00 -1.38 0.00 0.00 42.92 40.91 1fml s ASP 324 CO 0.14 -0.84 1.73 1.05 -0.00 0.00 0.00 175.17 177.25 1fml h GLU 325 N 0.37 0.50 0.73 2.11 9.09 -1.99 -0.28 114.58 125.10 1fml h GLU 325 Ca -0.44 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 58.91 1fml h GLU 325 Cb 1.27 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1fml h GLU 325 CO 0.53 0.33 -0.49 1.49 0.05 0.00 0.00 179.01 180.92 1fml h GLU 326 N 0.51 -1.10 -0.50 1.06 4.81 -2.01 -2.47 114.58 114.88 1fml h GLU 326 Ca 0.53 0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.93 1fml h GLU 326 Cb 0.92 0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 1fml h GLU 326 CO -0.46 -0.74 0.02 0.52 -0.73 0.00 0.00 179.01 177.63 1fml h MET 327 N -1.15 0.14 -0.96 1.92 2.86 -1.78 -2.12 114.93 113.84 1fml h MET 327 Ca -0.10 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.70 1fml h MET 327 Cb 0.93 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.48 1fml h MET 327 CO 0.07 0.09 0.61 1.15 1.06 0.00 0.00 176.91 179.89 1fml h THR 328 N 0.14 0.79 0.04 2.22 2.02 -0.91 0.24 112.91 117.45 1fml h THR 328 Ca 0.26 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1fml h THR 328 Cb 0.38 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1fml h THR 328 CO -0.40 0.14 -0.02 0.11 0.37 0.00 0.00 175.52 175.72 1fml h LYS 329 N 0.75 -0.05 -0.36 6.66 1.79 -0.92 -1.67 116.57 122.78 1fml h LYS 329 Ca 0.51 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 59.02 1fml h LYS 329 Cb 0.79 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1fml h LYS 329 CO -0.27 0.41 0.24 0.37 -1.08 0.00 0.00 179.45 179.12 1fml h GLN 330 N -0.53 0.30 -0.12 3.15 4.15 -1.03 -0.61 115.11 120.42 1fml h GLN 330 Ca -0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1fml h GLN 330 Cb 0.48 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1fml h GLN 330 CO 0.01 0.20 -0.30 0.00 -1.93 0.00 0.00 178.83 176.81 1fml h ALA 331 N 1.80 0.20 -0.53 3.38 0.00 -0.47 -2.26 119.26 121.38 1fml h ALA 331 Ca 0.15 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1fml h ALA 331 Cb 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1fml h ALA 331 CO -0.03 0.23 0.35 1.49 0.00 0.00 0.00 179.25 181.28 1fml h GLU 332 N 0.00 0.69 -0.40 0.00 4.81 -0.49 -0.86 114.58 118.34 1fml h GLU 332 Ca -0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1fml h GLU 332 Cb 0.90 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1fml h GLU 332 CO 0.07 0.46 0.18 -0.22 -0.73 0.00 0.00 179.01 178.76 1fml h LYS 333 N 0.71 0.59 0.60 1.92 3.64 -1.17 0.10 116.57 122.96 1fml h LYS 333 Ca 0.19 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1fml h LYS 333 Cb -0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1fml h LYS 333 CO -0.04 0.53 -0.39 2.35 -2.27 0.00 0.00 179.45 179.63 1fml h TRP 334 N 0.50 -1.04 -0.42 1.91 7.01 -1.06 0.29 115.95 123.15 1fml h TRP 334 Ca 0.14 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1fml h TRP 334 Cb 0.16 0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 27.57 1fml h TRP 334 CO -0.01 -0.59 0.23 0.82 -2.79 0.00 0.00 178.44 176.11 1fml h ILE 335 N -0.95 1.13 -0.04 2.65 2.04 -1.16 -2.26 117.51 118.93 1fml h ILE 335 Ca -0.07 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1fml h ILE 335 Cb 0.77 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1fml h ILE 335 CO 0.06 0.14 0.01 0.50 0.00 0.00 0.00 178.15 178.86 1fml h LYS 336 N 0.58 0.07 0.00 2.37 3.64 -0.39 -2.86 116.57 119.97 1fml h LYS 336 Ca 0.15 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1fml h LYS 336 Cb 0.02 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fml h LYS 336 CO -0.03 0.27 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.85 1fml h ASP 337 N -0.14 0.00 0.65 4.20 3.32 0.07 -2.71 116.42 121.82 1fml h ASP 337 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1fml h ASP 337 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1fml h ASP 337 CO -0.00 0.13 -0.65 0.59 -1.72 0.00 0.00 179.24 177.59 1fml n ASN 338 N -3.64 0.61 -0.93 6.45 4.13 -0.90 -3.84 115.26 117.15 1fml n ASN 338 Ca -0.02 -0.08 0.11 0.00 1.68 0.00 0.00 54.58 56.27 1fml n ASN 338 Cb 0.26 0.31 0.13 0.00 -1.54 0.00 0.00 39.78 38.94 1fml n ASN 338 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1fml n LEU 339 N -1.86 2.98 -4.74 3.41 4.77 -1.04 -4.88 117.00 115.64 1fml n LEU 339 Ca 0.04 -1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 54.40 1fml n LEU 339 Cb 0.40 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1fml n LEU 339 CO 0.37 0.57 0.77 -0.75 -1.33 0.00 0.00 177.39 177.02 1fml s LYS 340 N -1.61 4.62 -1.19 3.23 2.20 -1.10 -3.70 119.74 122.18 1fml s LYS 340 Ca 0.29 1.68 -0.01 0.00 -0.36 0.00 0.00 55.97 57.56 1fml s LYS 340 Cb 0.19 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1fml s LYS 340 CO 0.27 0.11 0.96 -0.25 -0.36 0.00 0.00 175.35 176.08 1fml n ASP 341 N 2.40 -2.48 -3.60 1.43 8.00 -1.26 -5.01 116.55 116.04 1fml n ASP 341 Ca 0.02 -0.66 -0.09 0.00 0.71 0.00 0.00 54.79 54.78 1fml n ASP 341 Cb 0.47 -5.01 -0.06 0.00 -0.02 0.00 0.00 41.12 36.50 1fml n ASP 341 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1fml s THR 342 N -3.40 0.00 -2.19 -3.53 -1.32 -1.24 -5.05 115.64 98.91 1fml s THR 342 Ca 0.05 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.71 1fml s THR 342 Cb -0.01 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.40 1fml s THR 342 CO 0.74 0.00 1.43 -0.90 -2.21 0.00 0.00 174.62 173.68 1fml n ASP 343 N 1.12 2.15 -4.67 8.08 5.75 -1.26 -4.91 116.55 122.81 1fml n ASP 343 Ca -0.10 -1.87 -0.42 0.00 -0.01 0.00 0.00 54.79 52.39 1fml n ASP 343 Cb 0.57 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 1fml n ASP 343 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1fml s LEU 344 N -1.32 4.33 0.01 -2.12 2.96 -1.26 -5.00 118.68 116.28 1fml s LEU 344 Ca 0.31 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 1fml s LEU 344 Cb 0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 1fml s LEU 344 CO 0.24 -0.91 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.20 1fml s ARG 345 N 3.64 0.31 -0.11 1.98 1.81 -1.26 -4.92 118.95 120.41 1fml s ARG 345 Ca 0.73 -0.28 -0.05 0.00 -1.72 0.00 0.00 55.73 54.41 1fml s ARG 345 Cb -0.35 -0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 1fml s ARG 345 CO 0.30 0.05 0.10 0.71 -0.68 0.00 0.00 175.30 175.78 1fml s TYR 346 N -0.45 3.46 -1.18 -0.53 1.51 -1.26 -5.14 117.35 113.75 1fml s TYR 346 Ca -0.03 0.42 0.00 0.00 -1.01 0.00 0.00 57.07 56.45 1fml s TYR 346 Cb -0.04 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1fml s TYR 346 CO -0.00 0.64 0.30 -2.30 -1.11 0.00 0.00 175.55 173.07