#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x87 s ARG 8 N 0.00 4.36 0.24 5.55 0.52 -1.26 -5.03 118.95 123.32 1x87 s ARG 8 Ca 0.00 0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 55.52 1x87 s ARG 8 Cb 0.00 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 1x87 s ARG 8 CO 0.00 0.16 1.26 -1.25 0.02 0.00 0.00 175.30 175.50 1x87 s PRO 9 N 0.55 4.43 -0.12 3.54 0.04 -1.26 -5.02 135.00 137.17 1x87 s PRO 9 Ca 0.30 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.36 1x87 s PRO 9 Cb -0.16 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1x87 s PRO 9 CO 0.13 -0.15 -0.09 -0.06 0.04 0.00 0.00 177.00 176.88 1x87 s PHE 10 N -0.36 1.59 0.15 0.56 0.40 -1.26 -5.13 117.98 113.92 1x87 s PHE 10 Ca 0.53 -0.81 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 1x87 s PHE 10 Cb -0.36 -1.29 0.04 0.00 0.51 0.00 0.00 43.02 41.93 1x87 s PHE 10 CO 0.41 -0.53 0.47 0.00 0.70 0.00 0.00 175.22 176.27 1x87 s ALA 11 N 1.66 -1.10 0.00 5.36 0.00 -1.26 -4.81 121.76 121.60 1x87 s ALA 11 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1x87 s ALA 11 Cb -0.13 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1x87 s ALA 11 CO -0.08 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1x87 n GLY 12 N -0.29 -1.79 0.00 0.00 0.00 -1.24 -4.49 105.19 97.39 1x87 n GLY 12 Ca -0.15 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1x87 n GLY 12 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x87 n THR 13 N 0.00 0.00 -4.10 2.61 -2.24 -1.26 -4.59 114.28 104.69 1x87 n THR 13 Ca 0.00 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1x87 n THR 13 Cb 0.00 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 1x87 n THR 13 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x87 s GLU 14 N -2.99 2.87 -0.08 -0.78 2.02 -1.26 -4.95 118.70 113.54 1x87 s GLU 14 Ca 0.14 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 1x87 s GLU 14 Cb 0.19 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1x87 s GLU 14 CO 0.58 0.59 0.12 -0.98 0.02 0.00 0.00 175.26 175.58 1x87 s ARG 15 N -2.12 3.31 0.06 1.61 1.70 -1.26 -4.78 118.95 117.47 1x87 s ARG 15 Ca 0.26 -0.26 0.18 0.00 -0.47 0.00 0.00 55.73 55.43 1x87 s ARG 15 Cb -0.12 -3.06 -0.14 0.00 -0.57 0.00 0.00 34.95 31.06 1x87 s ARG 15 CO 0.18 0.73 0.79 0.54 -1.08 0.00 0.00 175.30 176.46 1x87 n ARG 16 N 1.68 0.62 -1.59 3.89 5.12 -1.26 -4.98 116.66 120.15 1x87 n ARG 16 Ca -0.17 0.18 -0.30 0.00 -1.93 0.00 0.00 57.85 55.63 1x87 n ARG 16 Cb 0.54 -1.78 0.09 0.00 -1.16 0.00 0.00 32.46 30.15 1x87 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x87 s ALA 17 N -2.97 2.30 0.16 7.54 0.00 -1.26 -4.96 121.76 122.57 1x87 s ALA 17 Ca -0.03 -0.23 0.34 0.00 0.00 0.00 0.00 51.96 52.03 1x87 s ALA 17 Cb 0.09 -3.10 1.68 0.00 0.00 0.00 0.00 23.12 21.79 1x87 s ALA 17 CO 0.81 -1.69 2.02 0.87 0.00 0.00 0.00 175.76 177.77 1x87 h LYS 18 N -1.06 0.00 -3.22 0.00 6.56 -1.80 -3.45 116.57 113.59 1x87 h LYS 18 Ca -0.47 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.13 1x87 h LYS 18 Cb 1.27 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.85 1x87 h LYS 18 CO 0.60 0.00 0.10 0.20 -2.06 0.00 0.00 179.45 178.29 1x87 s GLY 19 N -3.92 -0.00 0.39 3.86 0.00 -1.26 -4.91 107.32 101.48 1x87 s GLY 19 Ca -0.02 -0.34 0.21 0.00 0.00 0.00 0.00 44.72 44.57 1x87 s GLY 19 CO 0.38 -0.23 1.59 1.49 0.00 0.00 0.00 173.10 176.33 1x87 h TRP 20 N 2.11 0.00 -0.13 1.90 4.06 -1.98 -1.32 115.95 120.60 1x87 h TRP 20 Ca -0.24 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.64 1x87 h TRP 20 Cb 1.26 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.42 1x87 h TRP 20 CO 0.38 0.19 -0.19 0.82 -3.56 0.00 0.00 178.44 176.09 1x87 h ILE 21 N 0.00 1.37 -0.67 1.49 2.04 -1.97 -0.37 117.51 119.40 1x87 h ILE 21 Ca -0.00 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.48 1x87 h ILE 21 Cb 1.09 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 39.12 1x87 h ILE 21 CO 0.02 0.41 0.41 1.56 0.00 0.00 0.00 178.15 180.56 1x87 h GLN 22 N -0.05 0.77 -0.40 2.37 7.50 -1.89 -0.61 115.11 122.80 1x87 h GLN 22 Ca 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1x87 h GLN 22 Cb 0.75 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 1x87 h GLN 22 CO 0.04 0.51 0.22 1.49 -1.50 0.00 0.00 178.83 179.59 1x87 h GLU 23 N 0.79 0.55 -0.79 1.46 4.57 -1.26 -2.30 114.58 117.61 1x87 h GLU 23 Ca 0.28 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1x87 h GLU 23 Cb 0.06 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1x87 h GLU 23 CO -0.12 0.44 0.48 0.00 -1.18 0.00 0.00 179.01 178.63 1x87 h ALA 24 N 1.08 1.00 -0.27 2.92 0.00 -0.64 -1.02 119.26 122.34 1x87 h ALA 24 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x87 h ALA 24 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1x87 h ALA 24 CO -0.02 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.86 1x87 h ALA 25 N 1.26 0.33 -0.44 0.00 0.00 -0.89 -2.51 119.26 117.01 1x87 h ALA 25 Ca 0.28 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1x87 h ALA 25 Cb -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1x87 h ALA 25 CO -0.05 -0.20 0.13 -0.07 0.00 0.00 0.00 179.25 179.05 1x87 h LEU 26 N 0.35 0.10 -1.53 0.00 3.38 -1.09 -0.11 115.31 116.41 1x87 h LEU 26 Ca 0.10 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1x87 h LEU 26 Cb -0.03 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1x87 h LEU 26 CO -0.03 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.13 1x87 n ARG 27 N -5.05 0.60 0.00 1.13 1.74 -0.41 -1.50 116.66 113.17 1x87 n ARG 27 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1x87 n ARG 27 Cb 0.19 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1x87 n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1x87 n LEU 29 N 0.46 0.00 0.09 0.55 7.94 -0.05 -0.80 117.00 125.19 1x87 n LEU 29 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1x87 n LEU 29 Cb 0.23 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.38 1x87 n LEU 29 CO 0.00 0.00 0.60 0.78 -1.11 0.00 0.00 177.39 177.66 1x87 h ASN 30 N 0.00 0.25 -0.74 1.96 2.35 -1.51 -3.09 115.58 114.81 1x87 h ASN 30 Ca 0.00 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1x87 h ASN 30 Cb 0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1x87 h ASN 30 CO 0.00 0.68 0.49 -1.13 -1.65 0.00 0.00 177.43 175.82 1x87 h ASN 31 N 0.19 0.75 0.50 5.81 -1.24 -1.22 -2.37 115.58 118.00 1x87 h ASN 31 Ca 0.01 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 1x87 h ASN 31 Cb 0.89 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 1x87 h ASN 31 CO 0.07 0.51 -0.17 0.78 -1.29 0.00 0.00 177.43 177.33 1x87 h ASN 32 N 0.87 0.00 -0.59 1.15 2.35 -1.82 -2.52 115.58 115.02 1x87 h ASN 32 Ca 0.30 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.83 1x87 h ASN 32 Cb 0.10 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.34 1x87 h ASN 32 CO -0.09 0.17 0.28 0.18 -1.65 0.00 0.00 177.43 176.32 1x87 n LEU 33 N -3.62 5.15 -4.78 1.61 4.77 -0.89 -4.95 117.00 114.28 1x87 n LEU 33 Ca -0.01 -2.69 -0.39 0.00 -0.03 0.00 0.00 56.01 52.88 1x87 n LEU 33 Cb 0.30 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1x87 n LEU 33 CO 0.32 0.74 0.45 -2.28 -1.33 0.00 0.00 177.39 175.29 1x87 s HIS 34 N -2.30 3.87 0.07 -1.77 2.46 -0.95 -5.00 115.29 111.67 1x87 s HIS 34 Ca 0.40 1.56 -0.21 0.00 0.47 0.00 0.00 55.06 57.28 1x87 s HIS 34 Cb 0.32 -2.74 -0.11 0.00 -0.13 0.00 0.00 32.58 29.92 1x87 s HIS 34 CO 0.09 0.49 1.55 -1.00 -2.47 0.00 0.00 174.74 173.40 1x87 h PRO 35 N 4.56 0.26 0.00 2.88 0.13 -1.92 -2.81 132.00 135.09 1x87 h PRO 35 Ca -0.47 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1x87 h PRO 35 Cb 1.21 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x87 h PRO 35 CO 0.66 0.41 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.34 1x87 h ASP 36 N 0.06 0.00 0.00 1.44 5.19 -1.97 -3.51 116.42 117.62 1x87 h ASP 36 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1x87 h ASP 36 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1x87 h ASP 36 CO 0.00 0.06 0.00 0.52 -3.12 0.00 0.00 179.24 176.70 1x87 n VAL 37 N -3.40 0.00 -3.93 -1.35 0.31 -1.06 -4.71 118.33 104.19 1x87 n VAL 37 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.10 1x87 n VAL 37 Cb 0.21 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 1x87 n VAL 37 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1x87 s LYS 52 N 2.31 3.18 0.22 5.55 2.20 -1.26 -4.75 119.74 127.19 1x87 s LYS 52 Ca 0.00 -0.93 0.09 0.00 -0.36 0.00 0.00 55.97 54.77 1x87 s LYS 52 Cb 0.00 -2.75 0.16 0.00 -1.51 0.00 0.00 37.83 33.73 1x87 s LYS 52 CO 0.00 0.34 1.49 0.00 -0.36 0.00 0.00 175.35 176.82 1x87 h ALA 53 N 1.23 0.76 -2.08 3.13 0.00 -1.93 -3.47 119.26 116.91 1x87 h ALA 53 Ca -0.49 -0.68 -0.45 0.00 0.00 0.00 0.00 54.91 53.29 1x87 h ALA 53 Cb 1.24 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1x87 h ALA 53 CO 0.59 0.93 -0.58 0.00 0.00 0.00 0.00 179.25 180.19 1x87 s ALA 54 N -3.31 2.24 0.13 0.00 0.00 -1.26 -4.82 121.76 114.74 1x87 s ALA 54 Ca -0.01 -1.80 -0.12 0.00 0.00 0.00 0.00 51.96 50.04 1x87 s ALA 54 Cb 0.12 0.86 -0.08 0.00 0.00 0.00 0.00 23.12 24.02 1x87 s ALA 54 CO 0.78 -0.38 1.42 -0.09 0.00 0.00 0.00 175.76 177.49 1x87 h ARG 55 N 2.14 0.89 -2.98 0.00 2.43 -1.33 -3.47 114.38 112.05 1x87 h ARG 55 Ca -0.38 -0.53 0.03 0.00 -0.81 0.00 0.00 59.98 58.29 1x87 h ARG 55 Cb 1.25 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 1x87 h ARG 55 CO 0.62 1.17 0.26 0.54 -1.51 0.00 0.00 179.97 181.05 1x87 s ASN 56 N -6.89 -0.13 0.58 -3.80 2.20 -1.26 -5.01 114.94 100.63 1x87 s ASN 56 Ca -0.11 -0.87 0.27 0.00 -0.94 0.00 0.00 52.86 51.22 1x87 s ASN 56 Cb 0.10 0.78 1.65 0.00 -2.00 0.00 0.00 41.25 41.79 1x87 s ASN 56 CO 0.89 -1.50 2.15 -0.50 -2.94 0.00 0.00 177.10 175.19 1x87 h TRP 57 N 2.00 0.00 -0.11 1.54 4.06 -1.99 -0.43 115.95 121.03 1x87 h TRP 57 Ca -0.26 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.49 1x87 h TRP 57 Cb 1.25 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.42 1x87 h TRP 57 CO 0.89 0.00 -0.74 1.49 -3.56 0.00 0.00 178.44 176.52 1x87 h GLU 58 N 0.00 0.69 -0.40 0.49 4.22 -2.00 -2.25 114.58 115.34 1x87 h GLU 58 Ca 0.06 -0.60 -0.10 0.00 0.08 0.00 0.00 59.36 58.79 1x87 h GLU 58 Cb 0.32 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1x87 h GLU 58 CO -0.00 1.21 -0.16 0.00 -2.18 0.00 0.00 179.01 177.88 1x87 h TYR 60 N 0.63 0.66 -0.22 0.00 3.20 -1.08 -0.92 116.97 119.24 1x87 h TYR 60 Ca 0.09 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.82 1x87 h TYR 60 Cb 0.70 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1x87 h TYR 60 CO 0.05 0.15 -0.59 0.93 -1.64 0.00 0.00 178.16 177.06 1x87 h GLU 61 N 0.56 0.73 -0.41 1.82 4.39 -1.29 -2.31 114.58 118.07 1x87 h GLU 61 Ca 0.43 -0.49 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1x87 h GLU 61 Cb 0.59 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1x87 h GLU 61 CO -0.36 1.11 -0.15 0.00 -1.16 0.00 0.00 179.01 178.45 1x87 h ALA 62 N 0.78 0.97 0.10 3.43 0.00 -1.21 0.94 119.26 124.26 1x87 h ALA 62 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1x87 h ALA 62 Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1x87 h ALA 62 CO 0.12 0.61 -0.05 0.82 0.00 0.00 0.00 179.25 180.75 1x87 h ILE 63 N 0.68 1.02 0.10 0.00 2.04 -1.05 0.16 117.51 120.46 1x87 h ILE 63 Ca 0.11 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1x87 h ILE 63 Cb 0.63 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1x87 h ILE 63 CO 0.04 0.11 -0.20 0.58 0.00 0.00 0.00 178.15 178.68 1x87 h VAL 64 N -0.33 0.54 -0.44 1.67 2.07 -1.37 0.17 116.25 118.56 1x87 h VAL 64 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1x87 h VAL 64 Cb 0.28 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1x87 h VAL 64 CO 0.02 0.00 0.13 0.44 0.02 0.00 0.00 177.57 178.18 1x87 h ASP 65 N -0.38 0.09 -0.53 0.57 3.32 -0.76 -1.77 116.42 116.97 1x87 h ASP 65 Ca 0.03 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1x87 h ASP 65 Cb 0.40 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1x87 h ASP 65 CO -0.12 0.09 0.05 0.74 -1.72 0.00 0.00 179.24 178.28 1x87 h THR 66 N 0.28 1.26 -0.34 0.35 2.02 -0.42 -2.97 112.91 113.09 1x87 h THR 66 Ca 0.21 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1x87 h THR 66 Cb 0.24 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1x87 h THR 66 CO -0.24 0.36 -0.04 -0.07 0.37 0.00 0.00 175.52 175.89 1x87 h LEU 67 N 0.77 0.51 -0.99 2.58 3.38 -0.39 0.15 115.31 121.32 1x87 h LEU 67 Ca 0.16 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1x87 h LEU 67 Cb 0.45 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1x87 h LEU 67 CO 0.02 0.61 0.24 -0.07 0.09 0.00 0.00 178.44 179.33 1x87 h LEU 68 N 0.51 0.89 0.00 1.67 3.38 -1.17 -3.16 115.31 117.43 1x87 h LEU 68 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x87 h LEU 68 Cb 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x87 h LEU 68 CO 0.02 0.81 -0.75 -2.11 0.09 0.00 0.00 178.44 176.50 1x87 n ARG 69 N -4.29 0.01 -1.68 1.13 1.85 -1.04 -3.79 116.66 108.85 1x87 n ARG 69 Ca 0.06 -0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.48 1x87 n ARG 69 Cb 0.19 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.06 1x87 n ARG 69 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1x87 n LEU 70 N -1.52 4.07 -4.79 2.89 0.00 0.48 -4.98 117.00 113.16 1x87 n LEU 70 Ca 0.05 0.95 -0.31 0.00 0.00 0.00 0.00 56.01 56.70 1x87 n LEU 70 Cb 0.34 -1.53 0.08 0.00 0.00 0.00 0.00 43.42 42.31 1x87 n LEU 70 CO 0.39 0.18 0.70 -1.61 0.00 0.00 0.00 177.39 177.05 1x87 s GLU 71 N 3.56 2.42 0.00 1.96 0.41 -1.26 -4.56 118.70 121.22 1x87 s GLU 71 Ca 0.86 0.95 0.14 0.00 -0.41 0.00 0.00 54.97 56.51 1x87 s GLU 71 Cb -0.47 -1.93 0.68 0.00 -1.78 0.00 0.00 34.13 30.63 1x87 s GLU 71 CO 0.40 -1.47 1.42 0.09 -0.49 0.00 0.00 175.26 175.21 1x87 n ASN 72 N -3.38 0.00 -0.40 -0.19 3.02 -1.26 -2.05 115.26 111.01 1x87 n ASN 72 Ca 0.08 0.24 0.08 0.00 -0.03 0.00 0.00 54.58 54.94 1x87 n ASN 72 Cb 0.54 -0.37 0.18 0.00 -0.61 0.00 0.00 39.78 39.52 1x87 n ASN 72 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1x87 n ASP 73 N -1.37 1.94 -4.40 6.41 3.85 -1.26 -3.72 116.55 118.01 1x87 n ASP 73 Ca 0.06 -3.54 -0.23 0.00 -0.71 0.00 0.00 54.79 50.37 1x87 n ASP 73 Cb 0.13 -0.48 -0.11 0.00 -1.35 0.00 0.00 41.12 39.31 1x87 n ASP 73 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1x87 s GLU 74 N -3.03 1.47 -0.03 0.11 2.02 -0.87 -0.63 118.70 117.74 1x87 s GLU 74 Ca 0.35 -1.60 0.03 0.00 0.02 0.00 0.00 54.97 53.77 1x87 s GLU 74 Cb 0.33 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 33.04 1x87 s GLU 74 CO -0.03 0.30 -0.11 0.99 0.02 0.00 0.00 175.26 176.43 1x87 s THR 75 N -2.35 0.93 -0.04 3.63 2.01 0.10 -4.62 115.64 115.29 1x87 s THR 75 Ca 0.23 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1x87 s THR 75 Cb -0.05 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1x87 s THR 75 CO 0.10 0.29 0.27 -0.22 -0.69 0.00 0.00 174.62 174.37 1x87 s LEU 76 N 0.24 4.42 -0.16 4.42 2.96 0.56 -1.42 118.68 129.71 1x87 s LEU 76 Ca -0.05 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1x87 s LEU 76 Cb -0.10 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 1x87 s LEU 76 CO 0.01 0.34 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.56 1x87 s LEU 77 N -1.22 3.06 -0.21 -0.68 1.43 -0.23 -1.60 118.68 119.24 1x87 s LEU 77 Ca 0.21 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1x87 s LEU 77 Cb -0.14 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1x87 s LEU 77 CO 0.10 0.15 -0.04 -0.63 0.23 0.00 0.00 176.35 176.15 1x87 s ILE 78 N 0.49 3.39 -0.33 -0.59 -1.09 -0.49 -1.75 121.20 120.84 1x87 s ILE 78 Ca -0.05 -0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 57.86 1x87 s ILE 78 Cb -0.15 -2.54 0.06 0.00 -1.58 0.00 0.00 42.46 38.25 1x87 s ILE 78 CO 0.03 0.43 0.05 -1.58 -1.23 0.00 0.00 174.94 172.64 1x87 s GLN 79 N 1.38 2.36 -1.30 2.79 -0.44 -0.13 -0.67 119.66 123.66 1x87 s GLN 79 Ca 0.05 -1.36 -0.04 0.00 -2.50 0.00 0.00 55.36 51.50 1x87 s GLN 79 Cb -0.14 -3.29 -0.00 0.00 -1.64 0.00 0.00 33.01 27.93 1x87 s GLN 79 CO -0.03 -0.71 0.63 0.43 0.50 0.00 0.00 175.29 176.12 1x87 n SER 80 N 4.64 -1.82 0.00 6.67 7.64 0.14 -2.18 113.62 128.72 1x87 n SER 80 Ca -0.11 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1x87 n SER 80 Cb 0.43 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 1x87 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x87 n GLY 81 N -1.71 0.69 3.18 0.23 0.00 -1.26 -4.43 105.19 101.88 1x87 n GLY 81 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1x87 n GLY 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x87 s LYS 82 N -0.02 2.42 -0.47 1.61 2.20 -0.93 -1.11 119.74 123.45 1x87 s LYS 82 Ca 0.00 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 54.58 1x87 s LYS 82 Cb 0.00 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.40 1x87 s LYS 82 CO 0.00 0.22 1.09 -1.25 -0.36 0.00 0.00 175.35 175.05 1x87 s PRO 83 N 0.21 3.70 -0.02 4.03 0.04 -1.26 -0.96 135.00 140.74 1x87 s PRO 83 Ca -0.11 0.51 0.14 0.00 0.04 0.00 0.00 61.00 61.58 1x87 s PRO 83 Cb -0.15 -3.90 -0.22 0.00 0.04 0.00 0.00 34.50 30.27 1x87 s PRO 83 CO 0.05 -1.33 0.30 1.33 0.04 0.00 0.00 177.00 177.40 1x87 n VAL 84 N 6.72 0.01 -3.50 -0.36 0.24 -0.72 -5.01 118.33 115.71 1x87 n VAL 84 Ca 0.11 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1x87 n VAL 84 Cb 0.49 0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.98 1x87 n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x87 s ALA 85 N -2.97 -1.76 -0.07 2.33 0.00 -1.24 -5.01 121.76 113.04 1x87 s ALA 85 Ca -0.05 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.10 1x87 s ALA 85 Cb 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1x87 s ALA 85 CO 0.58 -0.49 -0.24 0.08 0.00 0.00 0.00 175.76 175.69 1x87 s VAL 86 N -2.01 1.99 0.06 0.00 1.01 -1.26 -1.06 120.40 119.12 1x87 s VAL 86 Ca -0.05 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1x87 s VAL 86 Cb -0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1x87 s VAL 86 CO 0.01 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.12 1x87 s PHE 87 N 0.01 1.58 0.03 5.22 0.40 -0.50 -4.94 117.98 119.77 1x87 s PHE 87 Ca -0.08 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1x87 s PHE 87 Cb -0.15 -0.92 -0.07 0.00 0.51 0.00 0.00 43.02 42.39 1x87 s PHE 87 CO 0.05 0.09 1.54 0.50 0.70 0.00 0.00 175.22 178.10 1x87 s ARG 88 N -1.35 4.23 0.00 0.44 3.52 -1.26 -0.72 118.95 123.81 1x87 s ARG 88 Ca 0.05 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 57.80 1x87 s ARG 88 Cb -0.09 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1x87 s ARG 88 CO 0.02 -0.67 0.00 0.25 -0.81 0.00 0.00 175.30 174.09 1x87 n THR 89 N 4.77 0.00 -3.55 4.11 -2.24 0.19 -4.90 114.28 112.67 1x87 n THR 89 Ca 0.15 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1x87 n THR 89 Cb 0.42 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1x87 n THR 89 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1x87 s HIS 90 N 2.49 -0.39 0.58 4.78 -3.43 -1.24 -4.85 115.29 113.23 1x87 s HIS 90 Ca 0.00 0.12 0.28 0.00 -0.80 0.00 0.00 55.06 54.65 1x87 s HIS 90 Cb 0.00 0.51 1.65 0.00 -1.43 0.00 0.00 32.58 33.31 1x87 s HIS 90 CO 0.00 -0.89 2.13 -1.35 -2.00 0.00 0.00 174.74 172.64 1x87 h PRO 91 N 2.08 0.00 -0.31 -0.38 0.11 -1.86 -2.03 132.00 129.61 1x87 h PRO 91 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1x87 h PRO 91 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1x87 h PRO 91 CO 0.37 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.91 1x87 n ASP 92 N -3.91 2.65 -4.87 -2.05 8.00 -1.26 -4.91 116.55 110.20 1x87 n ASP 92 Ca 0.01 -1.88 -0.31 0.00 0.71 0.00 0.00 54.79 53.32 1x87 n ASP 92 Cb 0.27 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1x87 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x87 s ALA 93 N -1.60 3.09 0.66 2.24 0.00 -0.76 -4.05 121.76 121.33 1x87 s ALA 93 Ca 0.35 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 1x87 s ALA 93 Cb 0.20 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1x87 s ALA 93 CO 0.28 -0.73 1.25 -2.30 0.00 0.00 0.00 175.76 174.27 1x87 n PRO 94 N -2.76 1.01 0.12 0.00 -0.02 -1.20 -4.89 135.00 127.27 1x87 n PRO 94 Ca 0.06 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 1x87 n PRO 94 Cb 0.54 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1x87 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x87 h ARG 95 N 0.40 0.00 -3.97 -0.52 2.47 -1.45 -3.42 114.38 107.88 1x87 h ARG 95 Ca -0.50 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 57.84 1x87 h ARG 95 Cb 1.34 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.33 1x87 h ARG 95 CO 0.52 0.39 -0.76 0.08 0.56 0.00 0.00 179.97 180.76 1x87 s VAL 96 N -2.99 0.41 -0.16 2.04 1.01 -1.22 -0.32 120.40 119.16 1x87 s VAL 96 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1x87 s VAL 96 Cb 0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1x87 s VAL 96 CO 0.76 0.19 -0.12 -0.76 0.00 0.00 0.00 175.10 175.17 1x87 s LEU 97 N 0.80 2.68 -0.15 3.92 1.43 -0.62 -2.83 118.68 123.91 1x87 s LEU 97 Ca -0.10 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1x87 s LEU 97 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1x87 s LEU 97 CO -0.00 0.09 -0.21 -0.63 0.23 0.00 0.00 176.35 175.83 1x87 s ILE 98 N 0.77 2.13 -0.23 -0.59 1.01 -0.23 -1.40 121.20 122.66 1x87 s ILE 98 Ca -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1x87 s ILE 98 Cb -0.15 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.52 1x87 s ILE 98 CO 0.01 0.54 -0.00 0.00 0.00 0.00 0.00 174.94 175.49 1x87 s ALA 99 N 0.90 1.53 0.06 9.38 0.00 0.15 -1.08 121.76 132.69 1x87 s ALA 99 Ca -0.05 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.88 1x87 s ALA 99 Cb -0.15 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1x87 s ALA 99 CO -0.04 -1.23 -0.22 -0.80 0.00 0.00 0.00 175.76 173.47 1x87 s ASN 100 N 1.60 3.50 0.01 0.00 0.01 -0.43 -0.68 114.94 118.95 1x87 s ASN 100 Ca -0.02 -0.54 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 1x87 s ASN 100 Cb -0.18 -0.43 -0.02 0.00 0.41 0.00 0.00 41.25 41.03 1x87 s ASN 100 CO -0.08 0.24 -0.16 -0.44 -1.51 0.00 0.00 177.10 175.15 1x87 s SER 101 N -1.47 1.93 -0.46 -1.22 0.01 -1.26 -0.49 113.70 110.74 1x87 s SER 101 Ca 0.14 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.08 1x87 s SER 101 Cb -0.10 -0.19 0.17 0.00 0.21 0.00 0.00 66.02 66.11 1x87 s SER 101 CO 0.04 0.16 0.38 0.59 0.41 0.00 0.00 173.24 174.82 1x87 n ASN 102 N 2.42 0.13 -4.78 2.44 3.02 0.19 -4.95 115.26 113.72 1x87 n ASN 102 Ca -0.15 -2.53 -0.38 0.00 -0.03 0.00 0.00 54.58 51.49 1x87 n ASN 102 Cb 0.54 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 1x87 n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x87 s LEU 103 N -0.27 4.40 -0.19 3.41 1.43 -1.26 -2.95 118.68 123.25 1x87 s LEU 103 Ca 0.32 0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 54.27 1x87 s LEU 103 Cb 0.03 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1x87 s LEU 103 CO -0.19 0.19 0.11 0.68 0.23 0.00 0.00 176.35 177.37 1x87 s VAL 104 N -0.38 5.23 0.64 -1.59 -7.23 -0.16 -4.99 120.40 111.92 1x87 s VAL 104 Ca 0.25 0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 60.37 1x87 s VAL 104 Cb -0.16 -3.37 -0.01 0.00 0.56 0.00 0.00 36.38 33.40 1x87 s VAL 104 CO 0.13 0.46 1.20 -2.16 -0.31 0.00 0.00 175.10 174.41 1x87 s PRO 105 N 0.28 2.69 0.19 4.82 0.04 -1.26 -4.31 135.00 137.44 1x87 s PRO 105 Ca 0.07 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 1x87 s PRO 105 Cb -0.11 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.68 1x87 s PRO 105 CO -0.01 -1.41 1.62 0.00 0.04 0.00 0.00 177.00 177.24 1x87 h ALA 106 N 0.42 0.19 -0.55 8.56 0.00 -1.96 -1.19 119.26 124.72 1x87 h ALA 106 Ca -0.49 0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.76 1x87 h ALA 106 Cb 1.29 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1x87 h ALA 106 CO 0.53 -0.53 0.44 0.11 0.00 0.00 0.00 179.25 179.80 1x87 h TRP 107 N -0.09 0.00 -0.14 0.00 5.08 -1.92 -0.19 115.95 118.69 1x87 h TRP 107 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.21 1x87 h TRP 107 Cb 0.46 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 1x87 h TRP 107 CO -0.50 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 176.66 1x87 n ALA 108 N -2.56 2.53 -0.18 0.11 0.00 -0.46 -4.43 120.51 115.54 1x87 n ALA 108 Ca 0.10 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 1x87 n ALA 108 Cb 0.66 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 19.04 1x87 n ALA 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x87 h THR 109 N 2.09 1.06 0.00 0.00 2.02 -1.01 -2.55 112.91 114.51 1x87 h THR 109 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1x87 h THR 109 Cb 0.46 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1x87 h THR 109 CO 0.00 0.12 0.00 0.79 0.37 0.00 0.00 175.52 176.80 1x87 n TRP 110 N -4.78 0.57 -0.70 3.16 8.01 -1.26 -3.78 117.44 118.65 1x87 n TRP 110 Ca 0.04 0.19 -0.26 0.00 -1.31 0.00 0.00 57.50 56.17 1x87 n TRP 110 Cb 0.08 -0.82 -0.03 0.00 -2.01 0.00 0.00 31.31 28.53 1x87 n TRP 110 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1x87 n ASP 111 N -1.99 3.07 0.00 -0.99 10.43 -0.96 -5.27 116.55 120.84 1x87 n ASP 111 Ca 0.04 -2.38 0.00 0.00 2.57 0.00 0.00 54.79 55.03 1x87 n ASP 111 Cb 0.30 -0.95 0.00 0.00 1.84 0.00 0.00 41.12 42.32 1x87 n ASP 111 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1x87 n HIS 112 N 5.63 0.00 0.00 1.24 8.25 -1.25 -5.12 115.22 123.98 1x87 n HIS 112 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1x87 n HIS 112 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1x87 n HIS 112 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x87 n GLY 130 N 0.00 -2.27 0.95 -1.41 0.00 -1.26 -4.96 105.19 96.24 1x87 n GLY 130 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1x87 n GLY 130 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x87 n SER 131 N -0.24 2.16 -2.38 1.61 2.88 -1.26 -4.82 113.62 111.57 1x87 n SER 131 Ca 0.00 -1.55 -0.11 0.00 -1.33 0.00 0.00 58.87 55.87 1x87 n SER 131 Cb 0.00 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.06 1x87 n SER 131 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1x87 n TRP 132 N 0.56 -1.41 -1.73 0.66 8.01 -1.26 -4.89 117.44 117.37 1x87 n TRP 132 Ca 0.00 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.15 1x87 n TRP 132 Cb 0.37 -2.58 0.15 0.00 -2.01 0.00 0.00 31.31 27.24 1x87 n TRP 132 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.69 177.12 1x87 n ILE 133 N -3.22 2.33 -2.15 -0.99 -5.35 -1.26 -4.60 119.36 104.12 1x87 n ILE 133 Ca -0.13 -3.55 -0.41 0.00 -0.27 0.00 0.00 62.75 58.38 1x87 n ILE 133 Cb 0.59 -0.54 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 1x87 n ILE 133 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1x87 s TYR 134 N -3.36 3.18 -0.18 4.28 6.14 -1.26 -4.94 117.35 121.22 1x87 s TYR 134 Ca 0.42 1.13 0.15 0.00 0.64 0.00 0.00 57.07 59.41 1x87 s TYR 134 Cb 0.38 -3.68 0.43 0.00 0.42 0.00 0.00 41.96 39.52 1x87 s TYR 134 CO -0.03 -2.19 1.20 0.44 0.64 0.00 0.00 175.55 175.61 1x87 n ILE 135 N 2.68 1.69 -2.77 3.14 -5.35 -1.26 -4.80 119.36 112.68 1x87 n ILE 135 Ca 0.07 -2.86 0.00 0.00 -0.27 0.00 0.00 62.75 59.69 1x87 n ILE 135 Cb 0.42 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1x87 n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x87 n GLY 136 N -0.65 -0.55 0.60 3.28 0.00 -1.26 -4.22 105.19 102.40 1x87 n GLY 136 Ca 0.19 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.95 1x87 n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x87 n SER 137 N 0.56 1.81 -0.13 1.61 3.41 -1.26 -3.84 113.62 115.78 1x87 n SER 137 Ca 0.00 -1.73 0.03 0.00 -0.26 0.00 0.00 58.87 56.91 1x87 n SER 137 Cb 0.00 -0.11 0.34 0.00 -0.26 0.00 0.00 64.21 64.18 1x87 n SER 137 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1x87 h GLN 138 N 2.41 0.75 -0.09 4.33 4.15 -1.94 -2.22 115.11 122.50 1x87 h GLN 138 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1x87 h GLN 138 Cb 0.53 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 1x87 h GLN 138 CO 0.00 0.50 0.06 0.78 -1.93 0.00 0.00 178.83 178.23 1x87 h GLY 139 N 0.77 0.13 1.14 2.39 0.00 -1.85 -0.44 103.07 105.21 1x87 h GLY 139 Ca 0.24 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.32 1x87 h GLY 139 CO -0.06 0.05 -0.60 1.19 0.00 0.00 0.00 176.54 177.12 1x87 h ILE 140 N 0.11 1.28 -0.22 2.60 6.09 -1.79 -1.11 117.51 124.47 1x87 h ILE 140 Ca 0.03 -1.78 -0.00 0.00 -1.37 0.00 0.00 64.86 61.74 1x87 h ILE 140 Cb 0.01 1.73 -0.01 0.00 0.47 0.00 0.00 36.82 39.02 1x87 h ILE 140 CO -0.01 0.58 0.12 0.58 -3.07 0.00 0.00 178.15 176.35 1x87 h VAL 141 N 0.62 1.10 0.00 2.19 2.07 -1.31 -1.91 116.25 119.00 1x87 h VAL 141 Ca -0.00 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.09 1x87 h VAL 141 Cb 1.21 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1x87 h VAL 141 CO 0.13 0.10 -0.78 0.06 0.02 0.00 0.00 177.57 177.10 1x87 h GLN 142 N 0.25 0.00 -0.68 1.57 -0.00 -1.03 -1.66 115.11 113.56 1x87 h GLN 142 Ca 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.74 1x87 h GLN 142 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.49 1x87 h GLN 142 CO -0.01 0.78 0.44 0.78 -0.00 0.00 0.00 178.83 180.81 1x87 h GLY 143 N 2.54 0.96 1.11 0.06 0.00 -1.08 -0.12 103.07 106.54 1x87 h GLY 143 Ca -0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1x87 h GLY 143 CO 0.10 0.31 -0.13 -0.84 0.00 0.00 0.00 176.54 175.98 1x87 h THR 144 N 0.88 1.27 -0.68 4.70 2.02 -1.25 -2.31 112.91 117.55 1x87 h THR 144 Ca 0.26 -1.30 0.06 0.00 0.77 0.00 0.00 66.41 66.20 1x87 h THR 144 Cb -0.05 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1x87 h THR 144 CO -0.08 0.46 0.38 0.22 0.37 0.00 0.00 175.52 176.87 1x87 h TYR 145 N 0.91 0.69 -0.60 3.16 5.03 -1.12 -2.33 116.97 122.72 1x87 h TYR 145 Ca 0.14 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1x87 h TYR 145 Cb 0.71 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.75 1x87 h TYR 145 CO 0.05 0.33 0.39 1.49 -1.32 0.00 0.00 178.16 179.10 1x87 h GLU 146 N 0.70 0.76 -0.27 1.82 4.57 -0.77 0.21 114.58 121.59 1x87 h GLU 146 Ca 0.30 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1x87 h GLU 146 Cb 0.19 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1x87 h GLU 146 CO -0.18 0.50 0.11 1.15 -1.18 0.00 0.00 179.01 179.41 1x87 h THR 147 N 0.78 0.96 0.00 0.32 2.02 -0.94 -2.01 112.91 114.05 1x87 h THR 147 Ca 0.23 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 1x87 h THR 147 Cb -0.06 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1x87 h THR 147 CO -0.06 0.05 -0.23 -0.26 0.37 0.00 0.00 175.52 175.38 1x87 h PHE 148 N 0.25 0.00 -0.35 3.16 0.04 -1.13 -2.18 116.94 116.73 1x87 h PHE 148 Ca 0.11 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.73 1x87 h PHE 148 Cb 0.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1x87 h PHE 148 CO -0.11 0.23 -0.38 0.00 -0.60 0.00 0.00 178.31 177.44 1x87 h ALA 149 N 1.77 0.52 -0.60 2.45 0.00 -0.47 -1.99 119.26 120.94 1x87 h ALA 149 Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1x87 h ALA 149 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1x87 h ALA 149 CO 0.03 0.62 -0.01 1.49 0.00 0.00 0.00 179.25 181.38 1x87 h GLU 150 N 0.68 1.05 -0.99 0.00 4.57 -1.17 -0.67 114.58 118.06 1x87 h GLU 150 Ca 0.05 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1x87 h GLU 150 Cb 0.97 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 1x87 h GLU 150 CO 0.09 1.03 0.64 0.28 -1.18 0.00 0.00 179.01 179.88 1x87 h VAL 151 N 0.96 1.12 -0.34 0.32 2.07 -1.42 -0.32 116.25 118.64 1x87 h VAL 151 Ca 0.17 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1x87 h VAL 151 Cb 0.56 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1x87 h VAL 151 CO 0.03 0.22 -0.11 0.00 0.02 0.00 0.00 177.57 177.73 1x87 h ALA 152 N 1.45 0.47 0.45 1.67 0.00 -0.91 -0.96 119.26 121.43 1x87 h ALA 152 Ca 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1x87 h ALA 152 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x87 h ALA 152 CO -0.15 0.34 -0.23 0.00 0.00 0.00 0.00 179.25 179.20 1x87 h ARG 153 N 0.45 -0.61 -0.83 0.00 3.08 -0.83 -0.19 114.38 115.46 1x87 h ARG 153 Ca 0.08 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1x87 h ARG 153 Cb 0.62 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 1x87 h ARG 153 CO 0.04 -0.41 0.46 1.96 -1.07 0.00 0.00 179.97 180.95 1x87 h GLN 154 N -0.63 1.15 0.00 0.04 4.20 -1.04 -3.39 115.11 115.43 1x87 h GLN 154 Ca -0.06 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1x87 h GLN 154 Cb 0.50 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1x87 h GLN 154 CO 0.09 0.84 -0.61 0.72 -0.67 0.00 0.00 178.83 179.19 1x87 n HIS 155 N -4.34 0.00 -1.99 2.96 8.25 -0.37 -4.84 115.22 114.88 1x87 n HIS 155 Ca 0.09 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.59 1x87 n HIS 155 Cb 0.10 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.30 1x87 n HIS 155 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1x87 n PHE 156 N -1.11 0.00 -1.87 4.41 3.01 -0.40 -4.99 117.46 116.51 1x87 n PHE 156 Ca 0.00 -0.86 -0.11 0.00 1.01 0.00 0.00 57.45 57.49 1x87 n PHE 156 Cb 0.00 -0.18 -0.02 0.00 -0.01 0.00 0.00 39.48 39.27 1x87 n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x87 n GLY 157 N -0.31 0.41 0.96 1.37 0.00 -1.08 -3.53 105.19 103.01 1x87 n GLY 157 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1x87 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x87 n GLY 158 N -1.25 0.68 3.13 -0.02 0.00 -0.22 -4.94 105.19 102.56 1x87 n GLY 158 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1x87 n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x87 s THR 159 N -2.62 0.17 -2.22 2.61 -1.32 -1.23 -4.71 115.64 106.32 1x87 s THR 159 Ca 0.00 -1.42 0.21 0.00 -1.21 0.00 0.00 61.69 59.26 1x87 s THR 159 Cb 0.00 -1.29 0.37 0.00 -1.51 0.00 0.00 72.50 70.07 1x87 s THR 159 CO 0.00 -0.79 1.32 0.18 -2.21 0.00 0.00 174.62 173.13 1x87 n LEU 160 N 0.24 3.24 -4.65 9.08 4.77 -0.61 -4.70 117.00 124.37 1x87 n LEU 160 Ca -0.16 -1.48 -0.46 0.00 -0.03 0.00 0.00 56.01 53.89 1x87 n LEU 160 Cb 0.61 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1x87 n LEU 160 CO 0.25 0.70 0.97 0.00 -1.33 0.00 0.00 177.39 177.97 1x87 n ALA 161 N 1.31 0.75 -1.15 -1.18 0.00 -1.15 -1.63 120.51 117.45 1x87 n ALA 161 Ca 0.17 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 1x87 n ALA 161 Cb 0.56 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1x87 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x87 n GLY 162 N 2.21 0.78 3.30 0.00 0.00 -1.26 -4.97 105.19 105.25 1x87 n GLY 162 Ca 0.13 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1x87 n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x87 s THR 163 N -2.14 1.75 -0.21 2.61 -4.23 -0.65 -4.95 115.64 107.82 1x87 s THR 163 Ca 0.00 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 1x87 s THR 163 Cb 0.00 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 1x87 s THR 163 CO 0.00 -0.13 0.04 -0.63 -0.54 0.00 0.00 174.62 173.36 1x87 s ILE 164 N -1.42 4.33 -0.15 2.99 1.01 -1.26 -1.21 121.20 125.49 1x87 s ILE 164 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 1x87 s ILE 164 Cb -0.09 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1x87 s ILE 164 CO 0.05 0.41 0.06 0.28 0.00 0.00 0.00 174.94 175.74 1x87 s THR 165 N 0.97 4.81 -0.15 2.92 -1.32 -0.14 -1.56 115.64 121.17 1x87 s THR 165 Ca 0.03 -0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.44 1x87 s THR 165 Cb -0.14 -3.12 -0.02 0.00 -1.51 0.00 0.00 72.50 67.71 1x87 s THR 165 CO 0.02 0.53 -0.07 -0.22 -2.21 0.00 0.00 174.62 172.68 1x87 s LEU 166 N -0.22 3.04 0.00 9.08 2.96 -0.56 -0.35 118.68 132.63 1x87 s LEU 166 Ca 0.08 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1x87 s LEU 166 Cb -0.12 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1x87 s LEU 166 CO 0.01 0.15 0.20 1.07 -1.32 0.00 0.00 176.35 176.46 1x87 n THR 167 N 3.68 0.00 -3.64 3.68 5.66 -0.76 -2.14 114.28 120.76 1x87 n THR 167 Ca -0.18 -0.69 -0.15 0.00 -3.05 0.00 0.00 64.05 59.98 1x87 n THR 167 Cb 0.52 0.43 -0.07 0.00 -1.55 0.00 0.00 70.33 69.66 1x87 n THR 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x87 s ALA 168 N -2.02 -1.30 0.00 1.79 0.00 -1.26 -1.32 121.76 117.65 1x87 s ALA 168 Ca 0.11 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1x87 s ALA 168 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1x87 s ALA 168 CO 0.08 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1x87 n GLY 169 N 1.32 0.34 2.17 0.00 0.00 -0.34 -0.26 105.19 108.43 1x87 n GLY 169 Ca -0.19 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1x87 n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x87 n LEU 170 N 0.00 5.73 0.00 0.99 4.77 -1.26 -4.17 117.00 123.06 1x87 n LEU 170 Ca 0.00 -4.67 0.00 0.00 -0.03 0.00 0.00 56.01 51.31 1x87 n LEU 170 Cb 0.00 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1x87 n LEU 170 CO 0.00 1.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.61 1x87 n GLY 171 N -0.74 1.04 0.00 -0.72 0.00 -1.26 -3.61 105.19 99.90 1x87 n GLY 171 Ca 0.49 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1x87 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x87 n GLY 172 N 5.00 -0.07 1.57 -0.02 0.00 -1.26 -1.16 105.19 109.24 1x87 n GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x87 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x87 n GLY 174 N -1.06 0.00 0.34 -0.02 0.00 -1.26 -4.75 105.19 98.44 1x87 n GLY 174 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1x87 n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x87 h GLY 175 N 0.00 0.00 2.00 -0.02 0.00 -1.20 -1.31 103.07 102.54 1x87 h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x87 h GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1x87 h ALA 176 N 1.73 1.00 -0.34 3.60 0.00 -1.85 -3.38 119.26 120.02 1x87 h ALA 176 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x87 h ALA 176 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1x87 h ALA 176 CO -0.00 0.00 0.17 1.96 0.00 0.00 0.00 179.25 181.38 1x87 h GLN 177 N 0.00 0.34 -0.27 0.00 4.20 -1.60 -1.70 115.11 116.08 1x87 h GLN 177 Ca 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1x87 h GLN 177 Cb 0.80 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 1x87 h GLN 177 CO 0.00 0.22 -0.03 -1.35 -0.67 0.00 0.00 178.83 177.00 1x87 h PRO 178 N 0.35 0.04 -0.69 1.46 0.11 -1.78 -1.07 132.00 130.42 1x87 h PRO 178 Ca 0.14 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1x87 h PRO 178 Cb 0.06 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1x87 h PRO 178 CO -0.10 0.03 0.29 -0.07 -0.21 0.00 0.00 178.00 177.93 1x87 h LEU 179 N 0.04 0.95 -1.32 2.35 3.38 -1.56 -1.62 115.31 117.54 1x87 h LEU 179 Ca 0.13 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1x87 h LEU 179 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1x87 h LEU 179 CO -0.25 0.85 0.02 0.00 0.09 0.00 0.00 178.44 179.15 1x87 h ALA 180 N 1.13 1.45 0.09 1.53 0.00 -0.92 -3.11 119.26 119.43 1x87 h ALA 180 Ca 0.23 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1x87 h ALA 180 Cb 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x87 h ALA 180 CO -0.02 0.40 -0.57 0.28 0.00 0.00 0.00 179.25 179.34 1x87 h VAL 181 N 0.46 1.59 0.00 0.00 2.07 -1.05 -3.10 116.25 116.22 1x87 h VAL 181 Ca 0.10 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1x87 h VAL 181 Cb 0.27 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1x87 h VAL 181 CO 0.01 0.68 0.00 0.35 0.02 0.00 0.00 177.57 178.62 1x87 n THR 182 N -4.27 0.77 0.00 2.57 -2.24 -0.62 -0.80 114.28 109.68 1x87 n THR 182 Ca -0.12 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1x87 n THR 182 Cb 0.71 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1x87 n THR 182 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x87 n ASN 184 N 1.36 0.00 0.00 3.42 3.02 -1.17 -3.83 115.26 118.05 1x87 n ASN 184 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1x87 n ASN 184 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1x87 n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x87 n GLY 185 N 0.00 0.99 3.92 7.41 0.00 -1.08 -1.57 105.19 114.86 1x87 n GLY 185 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1x87 n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x87 s GLY 186 N -1.67 1.63 0.06 -0.02 0.00 0.02 -2.93 107.32 104.41 1x87 s GLY 186 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.82 1x87 s GLY 186 CO 0.00 -0.45 0.46 0.54 0.00 0.00 0.00 173.10 173.64 1x87 s VAL 187 N -3.04 4.98 -0.10 1.40 0.11 -0.35 -3.08 120.40 120.31 1x87 s VAL 187 Ca 0.55 0.77 0.03 0.00 -2.93 0.00 0.00 61.98 60.40 1x87 s VAL 187 Cb -0.11 -3.72 0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1x87 s VAL 187 CO 0.45 0.42 -0.18 0.00 -3.33 0.00 0.00 175.10 172.46 1x87 s LEU 189 N 0.68 3.07 -0.24 0.00 2.96 0.52 -1.19 118.68 124.47 1x87 s LEU 189 Ca -0.13 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 1x87 s LEU 189 Cb -0.16 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 44.88 1x87 s LEU 189 CO 0.03 -0.09 -0.10 0.00 -1.32 0.00 0.00 176.35 174.87 1x87 s ALA 190 N 1.37 2.60 0.05 5.97 0.00 -0.24 -1.82 121.76 129.69 1x87 s ALA 190 Ca 0.02 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 1x87 s ALA 190 Cb -0.16 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 1x87 s ALA 190 CO -0.04 -0.91 0.91 0.42 0.00 0.00 0.00 175.76 176.14 1x87 s ILE 191 N 1.23 4.70 -0.11 0.00 -1.09 -0.43 -1.42 121.20 124.08 1x87 s ILE 191 Ca -0.03 1.95 -0.05 0.00 -2.23 0.00 0.00 60.65 60.29 1x87 s ILE 191 Cb -0.17 -4.27 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1x87 s ILE 191 CO -0.06 0.27 0.25 -0.70 -1.23 0.00 0.00 174.94 173.47 1x87 s GLU 192 N 0.38 0.21 0.45 2.79 2.56 -0.37 -1.19 118.70 123.52 1x87 s GLU 192 Ca 0.46 0.54 0.23 0.00 0.00 0.00 0.00 54.97 56.20 1x87 s GLU 192 Cb -0.22 -0.12 1.03 0.00 2.00 0.00 0.00 34.13 36.83 1x87 s GLU 192 CO 0.27 -0.17 1.89 -0.39 -0.56 0.00 0.00 175.26 176.31 1x87 h VAL 193 N 5.88 0.73 -3.32 3.70 -1.51 -1.66 -1.88 116.25 118.18 1x87 h VAL 193 Ca -0.40 -1.02 -0.73 0.00 -1.23 0.00 0.00 66.70 63.33 1x87 h VAL 193 Cb 1.15 1.64 -0.22 0.00 -2.13 0.00 0.00 31.29 31.73 1x87 h VAL 193 CO 0.36 0.24 -0.30 -0.62 -1.23 0.00 0.00 177.57 176.02 1x87 s ASP 194 N -6.33 6.15 0.27 4.19 -1.08 -1.26 -4.65 116.67 113.95 1x87 s ASP 194 Ca -0.01 -1.24 -0.04 0.00 -0.52 0.00 0.00 52.55 50.74 1x87 s ASP 194 Cb 0.12 -2.19 0.34 0.00 -1.46 0.00 0.00 42.92 39.72 1x87 s ASP 194 CO 0.64 -0.65 1.87 1.55 0.52 0.00 0.00 175.17 179.11 1x87 h PRO 195 N 8.76 1.07 0.00 4.34 0.13 -1.98 -2.10 132.00 142.22 1x87 h PRO 195 Ca -0.28 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1x87 h PRO 195 Cb 1.11 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1x87 h PRO 195 CO 0.87 0.81 -0.43 0.00 -0.23 0.00 0.00 178.00 179.02 1x87 h ALA 196 N 1.35 1.29 -0.30 -0.56 0.00 -1.99 -1.62 119.26 117.43 1x87 h ALA 196 Ca 0.26 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1x87 h ALA 196 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x87 h ALA 196 CO -0.04 0.54 0.02 -0.09 0.00 0.00 0.00 179.25 179.68 1x87 h ARG 197 N 0.00 0.51 -0.79 0.00 9.65 -1.88 -2.53 114.38 119.33 1x87 h ARG 197 Ca -0.00 -0.15 0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1x87 h ARG 197 Cb 0.76 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.25 1x87 h ARG 197 CO 0.06 0.64 0.52 0.82 2.80 0.00 0.00 179.97 184.81 1x87 h ILE 198 N 0.32 1.19 -0.31 1.20 2.04 -0.87 -2.83 117.51 118.25 1x87 h ILE 198 Ca 0.09 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1x87 h ILE 198 Cb 0.40 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1x87 h ILE 198 CO 0.01 0.19 -0.24 -0.61 0.00 0.00 0.00 178.15 177.50 1x87 h GLN 199 N 1.06 0.60 -0.55 2.37 5.75 -1.26 -2.41 115.11 120.68 1x87 h GLN 199 Ca 0.29 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1x87 h GLN 199 Cb -0.11 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1x87 h GLN 199 CO -0.07 0.79 0.31 0.00 -2.65 0.00 0.00 178.83 177.21 1x87 h ARG 200 N 0.52 0.74 -0.29 1.69 3.08 -1.24 0.20 114.38 119.09 1x87 h ARG 200 Ca 0.07 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1x87 h ARG 200 Cb 0.70 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1x87 h ARG 200 CO 0.05 0.54 -0.26 0.00 -1.07 0.00 0.00 179.97 179.23 1x87 h ARG 201 N 0.76 0.58 0.21 0.04 2.47 -1.21 -2.27 114.38 114.96 1x87 h ARG 201 Ca 0.20 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1x87 h ARG 201 Cb 0.01 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1x87 h ARG 201 CO -0.03 0.79 -0.10 0.82 0.56 0.00 0.00 179.97 182.00 1x87 h ILE 202 N 0.50 0.79 -1.22 2.04 2.04 -1.12 0.12 117.51 120.68 1x87 h ILE 202 Ca 0.07 -0.92 0.35 0.00 1.00 0.00 0.00 64.86 65.36 1x87 h ILE 202 Cb 0.72 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1x87 h ILE 202 CO 0.06 0.18 1.00 0.44 0.00 0.00 0.00 178.15 179.82 1x87 h ASP 203 N -0.81 0.00 -0.06 1.72 3.45 -0.61 -1.61 116.42 118.49 1x87 h ASP 203 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1x87 h ASP 203 Cb 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1x87 h ASP 203 CO 0.05 0.00 0.00 1.07 -1.57 0.00 0.00 179.24 178.79 1x87 n THR 204 N -3.86 1.00 -1.80 0.35 5.66 -0.86 -5.00 114.28 109.78 1x87 n THR 204 Ca 0.27 -1.01 -0.07 0.00 -3.05 0.00 0.00 64.05 60.19 1x87 n THR 204 Cb 1.38 0.50 -0.01 0.00 -1.55 0.00 0.00 70.33 70.65 1x87 n THR 204 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1x87 n ASN 205 N -0.32 -3.00 0.04 1.09 3.02 -0.61 -4.91 115.26 110.58 1x87 n ASN 205 Ca 0.02 0.05 0.06 0.00 -0.03 0.00 0.00 54.58 54.69 1x87 n ASN 205 Cb 0.28 -1.91 -0.08 0.00 -0.61 0.00 0.00 39.78 37.47 1x87 n ASN 205 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1x87 n TYR 206 N -3.59 0.67 -4.23 3.10 4.02 0.37 -4.97 117.16 112.53 1x87 n TYR 206 Ca -0.07 0.21 -0.17 0.00 -0.01 0.00 0.00 57.90 57.86 1x87 n TYR 206 Cb 0.44 -0.89 -0.14 0.00 -0.02 0.00 0.00 39.34 38.73 1x87 n TYR 206 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1x87 s LEU 207 N -5.30 2.06 -0.11 7.72 0.20 -0.93 -3.50 118.68 118.82 1x87 s LEU 207 Ca -0.04 -0.20 -0.27 0.00 0.69 0.00 0.00 54.13 54.31 1x87 s LEU 207 Cb 0.10 -0.35 -0.27 0.00 -0.43 0.00 0.00 46.19 45.25 1x87 s LEU 207 CO 0.83 0.04 0.83 0.44 -0.29 0.00 0.00 176.35 178.20 1x87 h ASP 208 N 5.71 0.10 -0.33 3.68 3.32 -1.88 -3.38 116.42 123.64 1x87 h ASP 208 Ca -0.31 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 55.79 1x87 h ASP 208 Cb 1.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1x87 h ASP 208 CO 0.48 1.05 0.00 1.07 -1.72 0.00 0.00 179.24 180.12 1x87 n THR 209 N -4.53 0.00 0.00 0.35 5.66 -0.99 -5.00 114.28 109.77 1x87 n THR 209 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1x87 n THR 209 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1x87 n THR 209 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1x87 n THR 211 N 0.00 0.00 -0.30 1.09 5.66 -0.61 -0.95 114.28 119.18 1x87 n THR 211 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1x87 n THR 211 Cb 0.00 0.00 0.31 0.00 -1.55 0.00 0.00 70.33 69.09 1x87 n THR 211 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1x87 n ASP 212 N 0.00 3.89 -4.43 1.09 5.68 -1.26 -1.61 116.55 119.92 1x87 n ASP 212 Ca 0.00 -2.00 -0.39 0.00 -0.50 0.00 0.00 54.79 51.90 1x87 n ASP 212 Cb 0.00 -0.46 -0.12 0.00 -1.14 0.00 0.00 41.12 39.40 1x87 n ASP 212 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1x87 s SER 213 N -1.05 5.59 0.22 -1.12 0.15 -1.26 -4.83 113.70 111.40 1x87 s SER 213 Ca 0.48 -0.61 -0.09 0.00 0.70 0.00 0.00 55.95 56.43 1x87 s SER 213 Cb 0.25 -2.01 0.18 0.00 -1.71 0.00 0.00 66.02 62.73 1x87 s SER 213 CO 0.33 -0.23 1.88 0.25 1.20 0.00 0.00 173.24 176.67 1x87 h LEU 214 N 8.37 0.94 -0.48 3.45 5.85 -1.92 -0.28 115.31 131.24 1x87 h LEU 214 Ca -0.31 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 1x87 h LEU 214 Cb 1.14 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1x87 h LEU 214 CO 0.62 0.69 -0.21 0.44 -0.34 0.00 0.00 178.44 179.65 1x87 h ASP 215 N 1.10 1.01 0.14 1.25 3.45 -1.98 0.56 116.42 121.96 1x87 h ASP 215 Ca 0.30 -0.40 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1x87 h ASP 215 Cb -0.11 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.39 1x87 h ASP 215 CO -0.06 1.18 -0.07 0.00 -1.57 0.00 0.00 179.24 178.72 1x87 h ALA 216 N 0.86 -0.19 -0.71 3.45 0.00 -1.93 -0.89 119.26 119.84 1x87 h ALA 216 Ca 0.11 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1x87 h ALA 216 Cb 0.79 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1x87 h ALA 216 CO 0.07 -0.56 0.28 0.00 0.00 0.00 0.00 179.25 179.03 1x87 h ALA 217 N 0.55 0.97 -0.38 0.00 0.00 -0.98 -2.82 119.26 116.60 1x87 h ALA 217 Ca -0.02 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1x87 h ALA 217 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1x87 h ALA 217 CO 0.03 -0.20 -0.35 1.25 0.00 0.00 0.00 179.25 179.98 1x87 h LEU 218 N 0.44 0.94 -2.31 0.00 5.85 -0.72 -1.40 115.31 118.10 1x87 h LEU 218 Ca 0.38 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1x87 h LEU 218 Cb 0.55 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1x87 h LEU 218 CO -0.38 1.19 0.00 -1.84 -0.34 0.00 0.00 178.44 177.07 1x87 n GLU 219 N -4.06 0.68 0.00 1.25 0.28 -0.35 -2.12 120.64 116.31 1x87 n GLU 219 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1x87 n GLU 219 Cb 0.52 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.23 1x87 n GLU 219 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x87 n ALA 221 N 0.90 0.00 -0.02 -1.84 0.00 -0.53 -1.46 120.51 117.56 1x87 n ALA 221 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1x87 n ALA 221 Cb 0.34 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.96 1x87 n ALA 221 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1x87 h LYS 222 N 0.00 0.57 0.14 0.00 1.79 -1.70 -0.23 116.57 117.14 1x87 h LYS 222 Ca 0.00 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.27 1x87 h LYS 222 Cb 0.00 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1x87 h LYS 222 CO 0.00 0.77 -0.29 1.96 -1.08 0.00 0.00 179.45 180.80 1x87 h GLN 223 N 0.51 -0.50 -0.73 3.15 1.08 -1.51 -1.06 115.11 116.05 1x87 h GLN 223 Ca 0.07 0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1x87 h GLN 223 Cb 0.68 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 1x87 h GLN 223 CO 0.05 -0.33 0.26 0.00 -0.95 0.00 0.00 178.83 177.85 1x87 h ALA 224 N 0.16 0.95 -0.58 3.87 0.00 -1.78 -2.00 119.26 119.87 1x87 h ALA 224 Ca 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1x87 h ALA 224 Cb 0.54 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1x87 h ALA 224 CO -0.16 0.60 0.36 -0.22 0.00 0.00 0.00 179.25 179.84 1x87 h LYS 225 N 1.06 0.70 -0.40 0.00 3.64 -0.86 -1.03 116.57 119.67 1x87 h LYS 225 Ca 0.24 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1x87 h LYS 225 Cb 0.26 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1x87 h LYS 225 CO -0.01 0.46 0.16 1.49 -2.27 0.00 0.00 179.45 179.28 1x87 h GLU 226 N 0.72 0.59 0.00 1.90 4.57 -0.90 -2.33 114.58 119.13 1x87 h GLU 226 Ca 0.23 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1x87 h GLU 226 Cb 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1x87 h GLU 226 CO -0.09 0.56 0.00 0.39 -1.18 0.00 0.00 179.01 178.69 1x87 n GLU 227 N -4.65 0.72 -4.31 1.92 1.02 -0.78 -4.89 120.64 109.68 1x87 n GLU 227 Ca -0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1x87 n GLU 227 Cb 0.14 -1.34 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1x87 n GLU 227 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x87 n LYS 228 N -0.84 -2.42 -3.70 3.49 5.02 -0.53 -4.98 118.16 114.20 1x87 n LYS 228 Ca 0.12 0.30 -0.36 0.00 -2.02 0.00 0.00 58.31 56.35 1x87 n LYS 228 Cb 0.05 -4.92 -0.06 0.00 -0.02 0.00 0.00 35.03 30.09 1x87 n LYS 228 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x87 s LYS 229 N -7.02 3.65 -0.07 1.97 2.36 -0.51 -4.54 119.74 115.59 1x87 s LYS 229 Ca 0.71 0.06 -0.30 0.00 -2.55 0.00 0.00 55.97 53.89 1x87 s LYS 229 Cb -0.40 -3.12 -0.02 0.00 -1.05 0.00 0.00 37.83 33.24 1x87 s LYS 229 CO 0.96 0.67 1.04 0.00 1.55 0.00 0.00 175.35 179.57 1x87 s ALA 230 N -1.22 3.36 -0.22 3.13 0.00 -1.26 -4.35 121.76 121.21 1x87 s ALA 230 Ca 0.25 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 1x87 s ALA 230 Cb -0.14 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.62 1x87 s ALA 230 CO 0.14 -0.54 0.57 -1.17 0.00 0.00 0.00 175.76 174.75 1x87 s LEU 231 N 1.77 -0.39 -0.12 0.00 2.96 -1.18 -4.97 118.68 116.76 1x87 s LEU 231 Ca 0.51 1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 55.60 1x87 s LEU 231 Cb -0.20 1.93 -0.03 0.00 0.50 0.00 0.00 46.19 48.39 1x87 s LEU 231 CO 0.21 -0.21 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.03 1x87 s SER 232 N 0.98 4.64 -0.11 3.68 1.04 -1.26 -0.79 113.70 121.88 1x87 s SER 232 Ca -0.05 -0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.27 1x87 s SER 232 Cb -0.05 -1.52 0.02 0.00 0.10 0.00 0.00 66.02 64.57 1x87 s SER 232 CO -0.09 0.25 -0.09 -0.63 0.98 0.00 0.00 173.24 173.66 1x87 s ILE 233 N -0.12 1.13 -0.21 -1.02 1.01 -0.34 -2.36 121.20 119.30 1x87 s ILE 233 Ca 0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.12 1x87 s ILE 233 Cb -0.13 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1x87 s ILE 233 CO 0.03 0.38 0.52 -0.83 0.00 0.00 0.00 174.94 175.03 1x87 s GLY 234 N 1.56 2.05 -0.19 6.18 0.00 -0.12 -1.08 107.32 115.72 1x87 s GLY 234 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 44.25 1x87 s GLY 234 CO -0.07 1.09 0.06 -2.27 0.00 0.00 0.00 173.10 171.90 1x87 s LEU 235 N 1.69 3.74 -0.10 0.66 2.96 -0.51 -1.57 118.68 125.55 1x87 s LEU 235 Ca 0.24 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 1x87 s LEU 235 Cb -0.15 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1x87 s LEU 235 CO 0.09 0.14 0.96 0.68 -1.32 0.00 0.00 176.35 176.90 1x87 s VAL 236 N 0.58 4.83 0.00 1.68 -7.23 -0.63 -1.23 120.40 118.40 1x87 s VAL 236 Ca 0.03 1.94 0.00 0.00 -1.81 0.00 0.00 61.98 62.14 1x87 s VAL 236 Cb -0.13 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.54 1x87 s VAL 236 CO 0.01 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 1x87 n GLY 237 N 3.12 1.52 3.42 2.32 0.00 -0.71 -4.75 105.19 110.11 1x87 n GLY 237 Ca 0.07 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1x87 n GLY 237 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x87 s ASN 238 N 0.00 5.10 0.41 1.61 3.84 -1.26 -1.89 114.94 122.75 1x87 s ASN 238 Ca 0.00 -0.30 0.13 0.00 0.21 0.00 0.00 52.86 52.91 1x87 s ASN 238 Cb 0.00 -1.91 0.98 0.00 -0.55 0.00 0.00 41.25 39.77 1x87 s ASN 238 CO 0.00 -0.06 1.93 0.00 -2.79 0.00 0.00 177.10 176.18 1x87 h ALA 239 N 8.24 2.00 0.00 1.71 0.00 -1.93 0.41 119.26 129.68 1x87 h ALA 239 Ca -0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1x87 h ALA 239 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x87 h ALA 239 CO 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1x87 h ALA 240 N 1.65 1.02 0.04 0.00 0.00 -1.92 -1.24 119.26 118.81 1x87 h ALA 240 Ca 0.35 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.90 1x87 h ALA 240 Cb 0.68 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1x87 h ALA 240 CO -0.12 0.04 -1.80 0.39 0.00 0.00 0.00 179.25 177.76 1x87 n GLU 241 N -3.16 0.64 -0.10 0.00 1.02 -0.27 -4.43 120.64 114.33 1x87 n GLU 241 Ca 0.00 0.39 -0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1x87 n GLU 241 Cb 0.29 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1x87 n GLU 241 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x87 h VAL 242 N -0.59 1.26 -0.12 2.62 2.07 -0.91 -2.94 116.25 117.65 1x87 h VAL 242 Ca -0.45 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1x87 h VAL 242 Cb 1.63 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1x87 h VAL 242 CO -0.15 0.31 0.03 -0.07 0.02 0.00 0.00 177.57 177.71 1x87 h LEU 243 N 0.32 0.17 -0.80 2.57 4.07 -1.47 0.18 115.31 120.36 1x87 h LEU 243 Ca 0.08 -0.21 0.14 0.00 0.08 0.00 0.00 57.88 57.97 1x87 h LEU 243 Cb 0.44 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 42.05 1x87 h LEU 243 CO 0.02 0.34 0.37 -0.65 -1.08 0.00 0.00 178.44 177.44 1x87 h PRO 244 N -0.00 0.53 0.08 1.13 0.11 -1.77 -1.03 132.00 131.04 1x87 h PRO 244 Ca 0.04 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1x87 h PRO 244 Cb 0.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1x87 h PRO 244 CO -0.00 0.35 -0.04 0.00 -0.21 0.00 0.00 178.00 178.10 1x87 h ARG 245 N 0.54 -0.10 -0.88 1.05 3.08 -1.26 -2.35 114.38 114.46 1x87 h ARG 245 Ca 0.43 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.58 1x87 h ARG 245 Cb 0.62 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 1x87 h ARG 245 CO -0.37 0.04 0.57 -0.07 -1.07 0.00 0.00 179.97 179.07 1x87 h LEU 246 N -0.22 0.81 -0.86 3.04 3.38 -0.73 0.15 115.31 120.89 1x87 h LEU 246 Ca -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1x87 h LEU 246 Cb 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1x87 h LEU 246 CO 0.02 0.49 0.44 0.58 0.09 0.00 0.00 178.44 180.05 1x87 h VAL 247 N 0.90 1.26 0.00 1.22 2.07 -1.04 -2.77 116.25 117.89 1x87 h VAL 247 Ca 0.40 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1x87 h VAL 247 Cb 0.37 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1x87 h VAL 247 CO -0.17 0.30 -0.51 -0.08 0.02 0.00 0.00 177.57 177.13 1x87 h GLU 248 N 1.21 0.00 -0.03 1.57 4.81 -0.21 -2.96 114.58 118.98 1x87 h GLU 248 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1x87 h GLU 248 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1x87 h GLU 248 CO -0.04 0.51 0.00 0.25 -0.73 0.00 0.00 179.01 179.00 1x87 n THR 249 N -3.88 0.02 -0.99 0.32 -2.24 -0.44 -4.91 114.28 102.16 1x87 n THR 249 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1x87 n THR 249 Cb 0.53 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1x87 n THR 249 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x87 n GLY 250 N 1.07 0.65 3.71 3.38 0.00 -1.12 -5.03 105.19 107.85 1x87 n GLY 250 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1x87 n GLY 250 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1x87 s PHE 251 N -2.58 3.64 -0.11 1.61 5.36 -1.06 -5.05 117.98 119.79 1x87 s PHE 251 Ca 0.00 1.65 -0.01 0.00 -0.96 0.00 0.00 56.93 57.62 1x87 s PHE 251 Cb 0.00 -3.16 0.03 0.00 -0.34 0.00 0.00 43.02 39.55 1x87 s PHE 251 CO 0.00 -0.16 -0.07 0.08 -1.46 0.00 0.00 175.22 173.61 1x87 s VAL 252 N 0.99 0.95 0.72 3.12 1.01 -1.26 -4.50 120.40 121.43 1x87 s VAL 252 Ca 0.53 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1x87 s VAL 252 Cb -0.22 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1x87 s VAL 252 CO 0.28 0.36 1.07 -2.16 0.00 0.00 0.00 175.10 174.65 1x87 s PRO 253 N 1.73 2.67 0.10 2.72 0.04 -1.26 -4.99 135.00 136.02 1x87 s PRO 253 Ca 0.05 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1x87 s PRO 253 Cb -0.13 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 1x87 s PRO 253 CO -0.08 -1.31 1.24 -0.44 0.04 0.00 0.00 177.00 176.45 1x87 h ASP 254 N -0.78 0.61 -4.24 6.66 3.32 -1.65 -3.34 116.42 117.00 1x87 h ASP 254 Ca -0.44 -0.52 -0.42 0.00 0.02 0.00 0.00 57.03 55.67 1x87 h ASP 254 Cb 1.22 -0.19 -0.27 0.00 0.22 0.00 0.00 39.33 40.32 1x87 h ASP 254 CO 0.54 1.34 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.92 1x87 s VAL 255 N -3.13 0.94 -0.04 -1.35 1.01 -0.88 -0.26 120.40 116.69 1x87 s VAL 255 Ca -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1x87 s VAL 255 Cb 0.08 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1x87 s VAL 255 CO 0.89 0.10 0.08 -0.22 0.00 0.00 0.00 175.10 175.94 1x87 s LEU 256 N -0.72 0.69 0.00 3.92 2.96 0.44 -1.50 118.68 124.48 1x87 s LEU 256 Ca 0.02 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1x87 s LEU 256 Cb -0.06 0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.69 1x87 s LEU 256 CO 0.00 -0.17 0.00 0.41 -1.32 0.00 0.00 176.35 175.27 1x87 n THR 257 N 4.52 0.00 -3.68 3.68 -1.04 -0.91 -1.55 114.28 115.30 1x87 n THR 257 Ca -0.21 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.69 1x87 n THR 257 Cb 0.50 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.93 1x87 n THR 257 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x87 s ASP 258 N -0.74 -0.66 -0.25 8.00 -1.08 -1.26 -4.14 116.67 116.54 1x87 s ASP 258 Ca 0.00 1.17 0.14 0.00 -0.52 0.00 0.00 52.55 53.34 1x87 s ASP 258 Cb 0.00 1.11 0.47 0.00 -1.46 0.00 0.00 42.92 43.04 1x87 s ASP 258 CO 0.00 -0.21 1.16 0.00 0.52 0.00 0.00 175.17 176.65 1x87 n GLN 259 N 3.51 2.52 -0.94 4.34 6.02 0.64 -3.96 117.38 129.51 1x87 n GLN 259 Ca -0.18 -3.71 -0.30 0.00 -0.01 0.00 0.00 57.00 52.81 1x87 n GLN 259 Cb 0.57 -1.83 0.17 0.00 1.02 0.00 0.00 30.24 30.17 1x87 n GLN 259 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1x87 s THR 260 N -3.87 2.38 -0.95 5.09 -4.23 -1.07 -4.39 115.64 108.61 1x87 s THR 260 Ca 0.40 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 1x87 s THR 260 Cb 0.37 -2.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1x87 s THR 260 CO -0.01 -0.16 2.92 -1.54 -0.54 0.00 0.00 174.62 175.29 1x87 n SER 261 N -4.22 7.34 0.26 3.99 3.41 -1.26 -4.62 113.62 118.52 1x87 n SER 261 Ca 0.07 -2.83 0.17 0.00 -0.26 0.00 0.00 58.87 56.02 1x87 n SER 261 Cb 0.54 -1.41 0.63 0.00 -0.26 0.00 0.00 64.21 63.72 1x87 n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x87 h ALA 262 N 4.05 1.00 0.00 7.33 0.00 -1.92 -2.17 119.26 127.55 1x87 h ALA 262 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1x87 h ALA 262 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x87 h ALA 262 CO 1.17 0.00 0.00 1.12 0.00 0.00 0.00 179.25 181.54 1x87 h HIS 263 N 0.00 0.00 -2.65 0.00 2.07 -1.48 -3.37 115.15 109.72 1x87 h HIS 263 Ca 0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 1x87 h HIS 263 Cb 0.53 0.00 -0.39 0.00 2.57 0.00 0.00 27.41 30.12 1x87 h HIS 263 CO 0.00 0.00 -0.84 0.34 -3.07 0.00 0.00 177.93 174.36 1x87 s ASP 264 N -4.59 2.72 0.00 3.10 3.68 -0.83 -4.99 116.67 115.76 1x87 s ASP 264 Ca -0.00 -3.00 0.21 0.00 2.13 0.00 0.00 52.55 51.89 1x87 s ASP 264 Cb 0.09 -0.77 1.23 0.00 -1.45 0.00 0.00 42.92 42.02 1x87 s ASP 264 CO 0.35 -0.19 1.65 -0.81 0.13 0.00 0.00 175.17 176.30 1x87 n PRO 265 N 3.00 0.61 -0.12 4.34 -0.04 -1.26 0.34 135.00 141.87 1x87 n PRO 265 Ca 0.21 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.43 1x87 n PRO 265 Cb 0.41 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 1x87 n PRO 265 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x87 n LEU 266 N -1.04 2.11 -0.13 1.53 0.00 -1.26 -4.26 117.00 113.94 1x87 n LEU 266 Ca 0.15 0.30 0.05 0.00 0.00 0.00 0.00 56.01 56.51 1x87 n LEU 266 Cb 0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 43.42 42.58 1x87 n LEU 266 CO 0.12 0.55 0.11 0.59 0.00 0.00 0.00 177.39 178.77 1x87 n ASN 267 N -4.13 0.90 0.00 1.96 3.02 -1.22 -4.84 115.26 110.95 1x87 n ASN 267 Ca -0.45 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 1x87 n ASN 267 Cb 0.85 0.70 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 1x87 n ASN 267 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x87 n GLY 268 N 1.05 -0.22 3.74 7.41 0.00 0.15 -5.00 105.19 112.32 1x87 n GLY 268 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1x87 n GLY 268 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x87 s TYR 269 N -0.94 3.39 -0.25 1.61 5.04 -0.72 -4.75 117.35 120.73 1x87 s TYR 269 Ca 0.00 1.37 -0.18 0.00 -2.44 0.00 0.00 57.07 55.82 1x87 s TYR 269 Cb 0.00 -3.47 -0.03 0.00 0.35 0.00 0.00 41.96 38.81 1x87 s TYR 269 CO 0.00 -1.36 0.51 0.42 -1.34 0.00 0.00 175.55 173.77 1x87 s ILE 270 N 0.07 5.08 0.48 3.14 -1.09 -1.26 -4.79 121.20 122.84 1x87 s ILE 270 Ca 0.54 0.87 -0.24 0.00 -2.23 0.00 0.00 60.65 59.60 1x87 s ILE 270 Cb -0.33 -3.82 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 1x87 s ILE 270 CO 0.36 0.11 1.33 -2.84 -1.23 0.00 0.00 174.94 172.67 1x87 s PRO 271 N 2.17 3.54 0.16 2.79 0.02 -1.26 -4.93 135.00 137.48 1x87 s PRO 271 Ca 0.21 2.18 -0.34 0.00 0.02 0.00 0.00 61.00 63.07 1x87 s PRO 271 Cb -0.16 -2.47 -0.15 0.00 0.02 0.00 0.00 34.50 31.74 1x87 s PRO 271 CO 0.09 -0.85 1.34 0.00 -0.33 0.00 0.00 177.00 177.25 1x87 n ALA 272 N -0.51 -0.01 0.00 -1.55 0.00 -1.26 -3.00 120.51 114.17 1x87 n ALA 272 Ca 0.07 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1x87 n ALA 272 Cb 0.45 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1x87 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x87 n GLY 273 N 2.42 0.32 3.24 0.00 0.00 -1.26 -5.06 105.19 104.84 1x87 n GLY 273 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1x87 n GLY 273 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x87 s LEU 274 N 0.00 2.37 0.97 0.99 1.43 -1.16 -5.06 118.68 118.22 1x87 s LEU 274 Ca 0.00 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1x87 s LEU 274 Cb 0.00 -1.53 0.17 0.00 0.03 0.00 0.00 46.19 44.86 1x87 s LEU 274 CO 0.00 0.08 1.09 0.42 0.23 0.00 0.00 176.35 178.17 1x87 s THR 275 N 0.83 2.31 0.31 5.49 -4.23 -1.26 -4.65 115.64 114.44 1x87 s THR 275 Ca -0.05 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.60 1x87 s THR 275 Cb -0.15 -2.29 0.30 0.00 1.34 0.00 0.00 72.50 71.69 1x87 s THR 275 CO -0.01 -0.13 1.85 -0.07 -0.54 0.00 0.00 174.62 175.71 1x87 h LEU 276 N -1.95 0.84 -0.11 4.79 3.38 -1.99 0.22 115.31 120.50 1x87 h LEU 276 Ca -0.50 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 1x87 h LEU 276 Cb 1.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1x87 h LEU 276 CO 0.48 0.44 -0.36 0.44 0.09 0.00 0.00 178.44 179.53 1x87 h ASP 277 N 0.90 0.51 -0.21 -0.43 3.45 -1.99 -1.80 116.42 116.85 1x87 h ASP 277 Ca 0.48 -0.60 -0.02 0.00 0.43 0.00 0.00 57.03 57.32 1x87 h ASP 277 Cb 0.57 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1x87 h ASP 277 CO -0.25 1.03 0.09 -0.33 -1.57 0.00 0.00 179.24 178.21 1x87 h GLU 278 N 0.03 0.37 -0.23 3.56 5.08 -1.82 -1.98 114.58 119.58 1x87 h GLU 278 Ca -0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1x87 h GLU 278 Cb 0.98 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1x87 h GLU 278 CO 0.08 0.33 -0.08 0.00 -1.00 0.00 0.00 179.01 178.33 1x87 h ALA 279 N 1.73 0.33 -0.42 3.43 0.00 -0.49 -2.48 119.26 121.36 1x87 h ALA 279 Ca 0.09 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1x87 h ALA 279 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1x87 h ALA 279 CO -0.01 0.15 -0.17 0.00 0.00 0.00 0.00 179.25 179.22 1x87 h ALA 280 N 0.74 0.91 -0.10 0.00 0.00 -1.12 0.15 119.26 119.83 1x87 h ALA 280 Ca 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1x87 h ALA 280 Cb 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x87 h ALA 280 CO 0.03 0.62 0.01 1.49 0.00 0.00 0.00 179.25 181.40 1x87 h GLU 281 N 0.71 0.17 -0.16 0.00 4.22 -1.41 -2.97 114.58 115.14 1x87 h GLU 281 Ca 0.11 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1x87 h GLU 281 Cb 0.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1x87 h GLU 281 CO 0.05 0.40 0.09 1.25 -2.18 0.00 0.00 179.01 178.63 1x87 h LEU 282 N -0.09 0.19 -0.88 1.64 5.85 -1.34 -1.74 115.31 118.95 1x87 h LEU 282 Ca 0.03 -0.07 0.20 0.00 0.84 0.00 0.00 57.88 58.89 1x87 h LEU 282 Cb 0.32 -0.05 -0.16 0.00 0.37 0.00 0.00 40.66 41.14 1x87 h LEU 282 CO 0.00 0.20 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.12 1x87 h ARG 283 N 0.17 0.03 0.19 1.25 2.43 -0.67 -0.48 114.38 117.30 1x87 h ARG 283 Ca 0.06 -0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.90 1x87 h ARG 283 Cb 0.05 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1x87 h ARG 283 CO -0.01 0.02 -1.56 0.00 -1.51 0.00 0.00 179.97 176.91 1x87 h ALA 284 N 1.87 0.06 -0.04 2.80 0.00 -1.36 -3.26 119.26 119.33 1x87 h ALA 284 Ca 0.47 -1.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 1x87 h ALA 284 Cb 0.83 0.37 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1x87 h ALA 284 CO -0.85 0.86 -0.70 -0.09 0.00 0.00 0.00 179.25 178.46 1x87 h ARG 285 N 0.01 0.54 -1.70 0.00 2.43 -0.93 -3.42 114.38 111.33 1x87 h ARG 285 Ca -0.30 -0.53 -0.48 0.00 -0.81 0.00 0.00 59.98 57.85 1x87 h ARG 285 Cb 2.03 0.14 -0.33 0.00 -0.42 0.00 0.00 29.97 31.39 1x87 h ARG 285 CO 0.18 1.16 -0.92 -3.47 -1.51 0.00 0.00 179.97 175.41 1x87 n ASP 286 N -4.11 -0.82 -0.35 -3.80 -0.08 -0.22 -5.00 116.55 102.17 1x87 n ASP 286 Ca -0.10 -2.72 0.23 0.00 -1.51 0.00 0.00 54.79 50.69 1x87 n ASP 286 Cb 0.71 -0.01 0.47 0.00 2.34 0.00 0.00 41.12 44.63 1x87 n ASP 286 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1x87 h PRO 287 N 4.53 0.37 0.00 -0.67 0.11 -1.68 -2.20 132.00 132.47 1x87 h PRO 287 Ca 0.09 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.97 1x87 h PRO 287 Cb 0.93 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1x87 h PRO 287 CO 0.38 0.25 -0.90 0.87 -0.21 0.00 0.00 178.00 178.39 1x87 h LYS 288 N 0.39 0.26 -0.45 1.05 1.57 -1.92 -1.17 116.57 116.29 1x87 h LYS 288 Ca 0.70 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 59.05 1x87 h LYS 288 Cb 1.61 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1x87 h LYS 288 CO -0.50 1.00 -0.28 0.37 -0.57 0.00 0.00 179.45 179.47 1x87 h GLN 289 N 0.14 0.97 0.55 3.15 5.75 -1.80 -2.24 115.11 121.63 1x87 h GLN 289 Ca -0.05 -0.45 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 1x87 h GLN 289 Cb 1.53 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 30.07 1x87 h GLN 289 CO 0.14 1.12 -0.26 -0.92 -2.65 0.00 0.00 178.83 176.26 1x87 h TYR 290 N 0.82 -0.68 -0.99 3.99 5.03 -1.23 -1.29 116.97 122.62 1x87 h TYR 290 Ca 0.09 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.46 1x87 h TYR 290 Cb 0.86 0.23 -0.07 0.00 1.55 0.00 0.00 36.73 39.30 1x87 h TYR 290 CO 0.06 -0.41 0.63 0.82 -1.32 0.00 0.00 178.16 177.94 1x87 h ILE 291 N -0.77 1.05 -0.25 1.81 2.04 -1.26 0.32 117.51 120.45 1x87 h ILE 291 Ca -0.08 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1x87 h ILE 291 Cb 0.58 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1x87 h ILE 291 CO 0.12 0.20 0.06 0.00 0.00 0.00 0.00 178.15 178.54 1x87 h ALA 292 N 1.46 0.33 -0.36 1.87 0.00 -1.18 -1.07 119.26 120.31 1x87 h ALA 292 Ca 0.44 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1x87 h ALA 292 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1x87 h ALA 292 CO -0.19 -0.01 0.07 0.00 0.00 0.00 0.00 179.25 179.12 1x87 h ARG 293 N 0.23 0.60 0.04 0.00 3.08 -0.60 -2.22 114.38 115.50 1x87 h ARG 293 Ca 0.08 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1x87 h ARG 293 Cb 0.28 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1x87 h ARG 293 CO 0.00 0.65 -0.31 0.00 -1.07 0.00 0.00 179.97 179.25 1x87 h ALA 294 N 0.92 -0.47 -0.45 0.04 0.00 -0.32 0.47 119.26 119.44 1x87 h ALA 294 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1x87 h ALA 294 Cb 0.34 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1x87 h ALA 294 CO 0.01 -0.83 0.19 0.87 0.00 0.00 0.00 179.25 179.48 1x87 h LYS 295 N -0.48 0.64 0.07 0.00 1.57 -1.16 -1.05 116.57 116.16 1x87 h LYS 295 Ca 0.05 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 1x87 h LYS 295 Cb 0.55 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1x87 h LYS 295 CO -0.23 0.53 -1.10 1.96 -0.57 0.00 0.00 179.45 180.04 1x87 h GLN 296 N 0.64 0.26 -0.57 3.15 4.20 -1.19 -1.53 115.11 120.06 1x87 h GLN 296 Ca 0.16 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1x87 h GLN 296 Cb 0.12 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1x87 h GLN 296 CO -0.02 1.13 0.34 0.77 -0.67 0.00 0.00 178.83 180.39 1x87 h SER 297 N 0.10 0.68 -0.66 1.46 0.02 -0.67 -2.61 113.55 111.88 1x87 h SER 297 Ca -0.10 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1x87 h SER 297 Cb 1.80 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 64.14 1x87 h SER 297 CO 0.18 0.54 0.28 0.40 -1.14 0.00 0.00 176.83 177.09 1x87 h ILE 298 N 0.77 1.23 -0.86 3.27 2.04 -1.01 0.75 117.51 123.70 1x87 h ILE 298 Ca 0.20 -0.70 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1x87 h ILE 298 Cb -0.02 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 1x87 h ILE 298 CO -0.04 0.28 0.51 0.00 0.00 0.00 0.00 178.15 178.90 1x87 h ALA 299 N 1.12 1.22 -0.01 1.87 0.00 -1.27 0.54 119.26 122.74 1x87 h ALA 299 Ca 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x87 h ALA 299 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x87 h ALA 299 CO -0.02 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1x87 h ALA 300 N 1.45 0.01 -0.25 0.00 0.00 -0.90 -1.08 119.26 118.49 1x87 h ALA 300 Ca 0.40 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1x87 h ALA 300 Cb 0.32 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1x87 h ALA 300 CO -0.23 -0.36 -0.18 1.25 0.00 0.00 0.00 179.25 179.73 1x87 h HIS 301 N -0.23 -0.45 -0.34 0.00 6.17 -0.63 -2.04 115.15 117.63 1x87 h HIS 301 Ca 0.00 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.01 1x87 h HIS 301 Cb 0.25 0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.41 1x87 h HIS 301 CO 0.01 -0.25 -0.19 0.28 0.71 0.00 0.00 177.93 178.49 1x87 h VAL 302 N -0.17 1.29 -0.97 5.26 2.07 -0.83 -2.60 116.25 120.31 1x87 h VAL 302 Ca 0.14 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.45 1x87 h VAL 302 Cb 0.38 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1x87 h VAL 302 CO -0.35 0.43 0.62 0.03 0.02 0.00 0.00 177.57 178.31 1x87 h ARG 303 N 0.49 0.97 -1.79 1.57 3.08 -1.06 -0.91 114.38 116.73 1x87 h ARG 303 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1x87 h ARG 303 Cb 0.73 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1x87 h ARG 303 CO 0.05 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.60 1x87 n ALA 304 N -2.37 1.81 0.00 0.04 0.00 -0.78 -1.38 120.51 117.83 1x87 n ALA 304 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1x87 n ALA 304 Cb 0.30 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1x87 n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x87 n LEU 306 N 1.03 0.00 -0.79 0.00 4.32 -0.35 -4.68 117.00 116.54 1x87 n LEU 306 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1x87 n LEU 306 Cb 0.13 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1x87 n LEU 306 CO 0.00 0.00 0.10 0.00 -1.22 0.00 0.00 177.39 176.27 1x87 n ALA 307 N 0.00 1.61 0.00 -1.18 0.00 -0.48 -1.22 120.51 119.24 1x87 n ALA 307 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x87 n ALA 307 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1x87 n ALA 307 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x87 n GLN 309 N 0.65 0.00 -0.29 0.00 7.27 -1.26 -2.21 117.38 121.54 1x87 n GLN 309 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1x87 n GLN 309 Cb 0.10 0.00 0.21 0.00 2.41 0.00 0.00 30.24 32.97 1x87 n GLN 309 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1x87 h LYS 310 N 0.00 0.58 -0.16 3.69 3.11 -1.49 -0.48 116.57 121.82 1x87 h LYS 310 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1x87 h LYS 310 Cb 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 1x87 h LYS 310 CO 0.00 0.39 0.00 1.04 -2.81 0.00 0.00 179.45 178.07 1x87 n GLN 311 N -4.88 1.49 0.00 1.90 1.13 -0.94 -4.91 117.38 111.17 1x87 n GLN 311 Ca 0.16 -0.75 0.00 0.00 -1.94 0.00 0.00 57.00 54.47 1x87 n GLN 311 Cb 0.42 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.50 1x87 n GLN 311 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x87 n GLY 312 N 0.93 1.08 3.74 1.08 0.00 -0.19 -5.05 105.19 106.78 1x87 n GLY 312 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1x87 n GLY 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x87 n ALA 313 N -0.36 2.61 -2.27 4.61 0.00 -1.25 -4.94 120.51 118.90 1x87 n ALA 313 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 1x87 n ALA 313 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.95 1x87 n ALA 313 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x87 s VAL 314 N 0.36 3.83 0.06 0.00 1.01 0.64 -4.35 120.40 121.96 1x87 s VAL 314 Ca 0.68 0.88 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1x87 s VAL 314 Cb -0.50 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1x87 s VAL 314 CO 0.43 -0.60 -0.22 0.28 0.00 0.00 0.00 175.10 174.99 1x87 s THR 315 N 5.52 1.82 0.12 3.92 -1.32 -1.26 -0.42 115.64 124.01 1x87 s THR 315 Ca 0.65 -1.34 -0.19 0.00 -1.21 0.00 0.00 61.69 59.59 1x87 s THR 315 Cb -0.17 -1.59 0.05 0.00 -1.51 0.00 0.00 72.50 69.28 1x87 s THR 315 CO 0.31 0.18 0.48 0.72 -2.21 0.00 0.00 174.62 174.11 1x87 s PHE 316 N -0.88 -0.35 -0.01 9.09 -0.71 -0.59 -4.25 117.98 120.27 1x87 s PHE 316 Ca 0.09 0.15 -0.18 0.00 -1.04 0.00 0.00 56.93 55.94 1x87 s PHE 316 Cb -0.09 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.03 1x87 s PHE 316 CO 0.03 -0.73 0.52 0.34 -1.34 0.00 0.00 175.22 174.04 1x87 s ASP 317 N -2.60 6.89 -0.60 1.98 -1.08 0.09 -4.33 116.67 117.02 1x87 s ASP 317 Ca 0.00 1.06 0.01 0.00 -0.52 0.00 0.00 52.55 53.10 1x87 s ASP 317 Cb 0.00 -2.32 0.42 0.00 -1.46 0.00 0.00 42.92 39.56 1x87 s ASP 317 CO -0.10 0.16 1.68 0.00 0.52 0.00 0.00 175.17 177.44 1x87 n TYR 318 N 2.54 3.10 -1.11 -5.34 4.19 -1.25 -1.01 117.16 118.27 1x87 n TYR 318 Ca -0.09 -2.68 -0.04 0.00 3.31 0.00 0.00 57.90 58.40 1x87 n TYR 318 Cb 0.51 -0.89 -0.02 0.00 0.49 0.00 0.00 39.34 39.44 1x87 n TYR 318 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1x87 n GLY 319 N -0.69 0.67 1.42 2.98 0.00 -1.26 -4.92 105.19 103.39 1x87 n GLY 319 Ca 0.52 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 46.05 1x87 n GLY 319 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x87 n ASN 320 N 0.77 4.16 -0.64 1.61 6.94 -1.26 -4.97 115.26 121.88 1x87 n ASN 320 Ca -0.04 -2.10 -0.08 0.00 -0.02 0.00 0.00 54.58 52.34 1x87 n ASN 320 Cb 0.16 -0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 37.03 1x87 n ASN 320 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1x87 n ASN 321 N 1.56 -4.52 -0.05 0.53 4.05 -1.26 -1.36 115.26 114.20 1x87 n ASN 321 Ca 0.25 0.21 -0.09 0.00 0.45 0.00 0.00 54.58 55.40 1x87 n ASN 321 Cb 0.69 -2.76 0.07 0.00 1.23 0.00 0.00 39.78 39.01 1x87 n ASN 321 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1x87 h ILE 322 N 0.00 1.29 -0.59 -1.44 2.10 -1.93 -2.45 117.51 114.48 1x87 h ILE 322 Ca -0.17 -1.52 -0.05 0.00 1.08 0.00 0.00 64.86 64.19 1x87 h ILE 322 Cb 0.72 1.45 -0.02 0.00 -1.09 0.00 0.00 36.82 37.87 1x87 h ILE 322 CO 0.25 0.49 0.16 0.03 -1.08 0.00 0.00 178.15 178.01 1x87 h ARG 323 N 0.57 0.94 -0.24 2.19 3.08 -1.91 -2.19 114.38 116.81 1x87 h ARG 323 Ca 0.05 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.76 1x87 h ARG 323 Cb 0.89 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1x87 h ARG 323 CO 0.08 0.85 -0.36 0.37 -1.07 0.00 0.00 179.97 179.85 1x87 h GLN 324 N 0.85 0.67 0.01 0.04 5.75 -1.89 -0.39 115.11 120.14 1x87 h GLN 324 Ca 0.19 -0.40 0.01 0.00 -0.15 0.00 0.00 58.65 58.31 1x87 h GLN 324 Cb 0.32 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1x87 h GLN 324 CO -0.00 1.01 -0.09 0.28 -2.65 0.00 0.00 178.83 177.38 1x87 h VAL 325 N 0.38 0.78 -0.93 2.39 2.07 -1.41 -1.06 116.25 118.48 1x87 h VAL 325 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1x87 h VAL 325 Cb 0.94 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1x87 h VAL 325 CO 0.08 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.28 1x87 h ALA 326 N 0.82 1.46 -0.38 1.67 0.00 -1.30 -2.32 119.26 119.20 1x87 h ALA 326 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1x87 h ALA 326 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1x87 h ALA 326 CO -0.08 0.42 0.19 -0.22 0.00 0.00 0.00 179.25 179.56 1x87 h LYS 327 N 1.10 0.54 0.00 0.00 3.11 -0.64 -1.14 116.57 119.54 1x87 h LYS 327 Ca 0.39 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1x87 h LYS 327 Cb 0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1x87 h LYS 327 CO -0.14 0.47 0.00 -0.25 -2.81 0.00 0.00 179.45 176.72 1x87 n ASP 328 N -4.72 0.50 -0.75 4.20 8.00 -0.44 -1.21 116.55 122.13 1x87 n ASP 328 Ca -0.00 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1x87 n ASP 328 Cb 0.10 -0.76 0.15 0.00 -0.02 0.00 0.00 41.12 40.59 1x87 n ASP 328 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1x87 n GLU 329 N -2.11 1.90 -0.06 -1.24 4.07 -0.74 -4.97 120.64 117.49 1x87 n GLU 329 Ca 0.00 -1.50 0.00 0.00 -0.06 0.00 0.00 57.16 55.60 1x87 n GLU 329 Cb 0.11 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 1x87 n GLU 329 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x87 n GLY 330 N 1.34 0.97 3.56 8.31 0.00 -0.35 -5.02 105.19 114.00 1x87 n GLY 330 Ca 0.14 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1x87 n GLY 330 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x87 s VAL 331 N -2.00 3.71 0.20 1.61 1.01 -0.51 -4.86 120.40 119.55 1x87 s VAL 331 Ca 0.00 -0.16 0.29 0.00 0.00 0.00 0.00 61.98 62.11 1x87 s VAL 331 Cb 0.00 -4.71 0.30 0.00 0.00 0.00 0.00 36.38 31.97 1x87 s VAL 331 CO 0.00 -1.64 1.94 -2.24 0.00 0.00 0.00 175.10 173.17 1x87 h ASP 332 N 10.78 0.00 -0.88 3.32 3.04 -1.86 -2.92 116.42 127.90 1x87 h ASP 332 Ca -0.05 0.00 -0.42 0.00 -3.24 0.00 0.00 57.03 53.32 1x87 h ASP 332 Cb 1.04 0.00 -0.25 0.00 -1.04 0.00 0.00 39.33 39.08 1x87 h ASP 332 CO 1.32 0.12 0.50 0.47 -2.04 0.00 0.00 179.24 179.62 1x87 n ASP 333 N -3.32 3.86 0.15 4.15 8.00 -1.26 -4.66 116.55 123.46 1x87 n ASP 333 Ca -0.00 -3.54 0.02 0.00 0.71 0.00 0.00 54.79 51.97 1x87 n ASP 333 Cb 0.34 -0.80 0.35 0.00 -0.02 0.00 0.00 41.12 40.99 1x87 n ASP 333 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x87 h ALA 334 N 1.36 1.38 -0.32 2.24 0.00 -1.84 -2.37 119.26 119.71 1x87 h ALA 334 Ca 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x87 h ALA 334 Cb 2.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.36 1x87 h ALA 334 CO 0.96 0.44 0.00 1.19 0.00 0.00 0.00 179.25 181.84 1x87 n PHE 335 N -4.14 0.89 1.78 0.00 3.01 -1.26 -4.04 117.46 113.70 1x87 n PHE 335 Ca -0.02 -0.33 0.13 0.00 1.01 0.00 0.00 57.45 58.25 1x87 n PHE 335 Cb 0.38 -0.22 0.70 0.00 -0.01 0.00 0.00 39.48 40.32 1x87 n PHE 335 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1x87 n SER 336 N 0.40 0.57 -4.34 4.37 3.41 -0.89 -4.60 113.62 112.54 1x87 n SER 336 Ca 0.14 -1.29 -0.29 0.00 -0.26 0.00 0.00 58.87 57.17 1x87 n SER 336 Cb 0.61 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.40 1x87 n SER 336 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x87 s PHE 337 N -1.98 2.21 0.67 7.33 -0.12 -1.26 -5.13 117.98 119.71 1x87 s PHE 337 Ca 0.40 -0.40 -0.10 0.00 -0.05 0.00 0.00 56.93 56.78 1x87 s PHE 337 Cb 0.19 -1.28 0.01 0.00 -0.63 0.00 0.00 43.02 41.31 1x87 s PHE 337 CO 0.32 0.19 1.04 -1.25 -0.05 0.00 0.00 175.22 175.47 1x87 s PRO 338 N -1.53 2.94 0.44 1.99 0.04 -1.26 -4.76 135.00 132.86 1x87 s PRO 338 Ca 0.11 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.39 1x87 s PRO 338 Cb -0.10 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1x87 s PRO 338 CO 0.03 -0.91 0.85 0.20 0.04 0.00 0.00 177.00 177.22 1x87 s GLY 339 N -4.33 2.01 0.32 0.56 0.00 -1.26 -0.73 107.32 103.89 1x87 s GLY 339 Ca 0.57 -0.04 0.11 0.00 0.00 0.00 0.00 44.72 45.36 1x87 s GLY 339 CO 0.50 0.19 1.72 0.27 0.00 0.00 0.00 173.10 175.78 1x87 h PHE 340 N 1.17 0.05 0.08 1.90 -0.00 -1.43 -2.61 116.94 116.11 1x87 h PHE 340 Ca -0.47 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 57.48 1x87 h PHE 340 Cb 1.19 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 1x87 h PHE 340 CO 0.62 0.51 -0.04 -0.39 -0.00 0.00 0.00 178.31 179.01 1x87 h VAL 341 N 0.04 1.19 -0.79 0.88 -1.51 -1.94 -0.51 116.25 113.60 1x87 h VAL 341 Ca -0.00 -1.33 0.08 0.00 -1.23 0.00 0.00 66.70 64.21 1x87 h VAL 341 Cb 0.85 2.00 -0.05 0.00 -2.13 0.00 0.00 31.29 31.96 1x87 h VAL 341 CO 0.06 0.31 0.51 -0.65 -1.23 0.00 0.00 177.57 176.58 1x87 h PRO 342 N -0.75 0.77 0.07 5.19 0.11 -1.96 0.25 132.00 135.67 1x87 h PRO 342 Ca -0.01 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.83 1x87 h PRO 342 Cb 0.59 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 31.55 1x87 h PRO 342 CO 0.02 0.51 -0.91 0.00 -0.21 0.00 0.00 178.00 177.40 1x87 h ALA 343 N 1.59 0.01 0.00 -0.75 0.00 -1.42 -3.42 119.26 115.27 1x87 h ALA 343 Ca 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1x87 h ALA 343 Cb 0.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x87 h ALA 343 CO -0.13 0.50 -0.63 0.66 0.00 0.00 0.00 179.25 179.66 1x87 n TYR 344 N -4.02 0.00 -0.00 0.00 4.02 -0.21 -4.84 117.16 112.11 1x87 n TYR 344 Ca -0.12 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.55 1x87 n TYR 344 Cb 0.83 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 40.02 1x87 n TYR 344 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1x87 h ILE 345 N 0.00 0.90 -0.81 -0.72 1.08 -1.26 -3.37 117.51 113.34 1x87 h ILE 345 Ca 0.00 -2.37 0.15 0.00 -0.39 0.00 0.00 64.86 62.26 1x87 h ILE 345 Cb 0.63 2.60 -0.10 0.00 -3.07 0.00 0.00 36.82 36.88 1x87 h ILE 345 CO 0.00 0.72 0.37 -0.09 -0.69 0.00 0.00 178.15 178.46 1x87 h ARG 346 N -0.26 0.50 0.00 2.37 9.65 -0.78 -0.57 114.38 125.29 1x87 h ARG 346 Ca -0.34 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.49 1x87 h ARG 346 Cb 1.80 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 30.27 1x87 h ARG 346 CO 0.04 0.33 -0.07 -1.35 2.80 0.00 0.00 179.97 181.72 1x87 h PRO 347 N 0.52 0.00 -0.12 0.20 0.11 -1.80 -1.20 132.00 129.70 1x87 h PRO 347 Ca 0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.46 1x87 h PRO 347 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1x87 h PRO 347 CO -0.40 0.07 -0.33 -0.07 -0.21 0.00 0.00 178.00 177.06 1x87 h LEU 348 N 0.00 0.50 -1.37 2.35 3.38 -1.27 -3.04 115.31 115.87 1x87 h LEU 348 Ca -0.00 -0.59 0.08 0.00 0.09 0.00 0.00 57.88 57.46 1x87 h LEU 348 Cb 0.14 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1x87 h LEU 348 CO 0.01 1.00 0.50 -0.26 0.09 0.00 0.00 178.44 179.77 1x87 h PHE 349 N 0.03 0.77 -0.77 1.13 0.04 -1.14 -1.44 116.94 115.55 1x87 h PHE 349 Ca -0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1x87 h PHE 349 Cb 0.94 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.80 1x87 h PHE 349 CO 0.11 0.38 0.32 0.00 -0.60 0.00 0.00 178.31 178.52 1x87 n GLU 351 N -4.29 1.11 -0.44 0.00 1.02 -1.03 -4.02 120.64 112.98 1x87 n GLU 351 Ca 0.07 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1x87 n GLU 351 Cb 0.17 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1x87 n GLU 351 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x87 n GLY 352 N 0.50 1.69 3.76 0.62 0.00 -0.05 -3.86 105.19 107.85 1x87 n GLY 352 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1x87 n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x87 s LYS 353 N -0.16 4.44 0.22 1.61 1.02 -0.57 -3.99 119.74 122.32 1x87 s LYS 353 Ca 0.00 2.08 -0.23 0.00 0.02 0.00 0.00 55.97 57.84 1x87 s LYS 353 Cb 0.00 -3.12 0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1x87 s LYS 353 CO 0.00 -0.08 0.84 0.20 -0.92 0.00 0.00 175.35 175.39 1x87 s GLY 354 N -0.47 -0.13 0.02 -3.33 0.00 -0.96 -3.72 107.32 98.73 1x87 s GLY 354 Ca 0.49 -0.13 -0.35 0.00 0.00 0.00 0.00 44.72 44.72 1x87 s GLY 354 CO 0.47 0.00 1.63 -1.05 0.00 0.00 0.00 173.10 174.16 1x87 n PRO 355 N -0.47 1.81 -4.04 2.90 -0.02 -1.26 -2.19 135.00 131.72 1x87 n PRO 355 Ca -0.05 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.78 1x87 n PRO 355 Cb 0.60 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 1x87 n PRO 355 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1x87 s PHE 356 N 2.00 2.35 0.02 6.00 2.19 0.15 -4.81 117.98 125.88 1x87 s PHE 356 Ca 0.86 -1.38 0.07 0.00 0.33 0.00 0.00 56.93 56.81 1x87 s PHE 356 Cb -0.79 -1.68 -0.03 0.00 -1.31 0.00 0.00 43.02 39.21 1x87 s PHE 356 CO 0.47 -0.71 -0.18 -0.98 1.83 0.00 0.00 175.22 175.64 1x87 s ARG 357 N 1.43 2.14 0.03 10.12 1.70 -0.97 -1.75 118.95 131.65 1x87 s ARG 357 Ca 0.04 -0.93 0.01 0.00 -0.47 0.00 0.00 55.73 54.39 1x87 s ARG 357 Cb -0.13 -2.20 -0.02 0.00 -0.57 0.00 0.00 34.95 32.03 1x87 s ARG 357 CO -0.11 0.56 -0.06 1.67 -1.08 0.00 0.00 175.30 176.28 1x87 s TRP 358 N -0.86 0.49 -0.06 5.89 -2.14 -0.13 -1.46 118.94 120.68 1x87 s TRP 358 Ca 0.14 -0.40 0.04 0.00 2.66 0.00 0.00 56.10 58.54 1x87 s TRP 358 Cb -0.10 -0.30 0.00 0.00 -3.10 0.00 0.00 33.47 29.96 1x87 s TRP 358 CO 0.04 -0.09 -0.17 0.08 -2.66 0.00 0.00 176.95 174.14 1x87 s VAL 359 N -1.07 1.49 -0.55 -0.66 1.01 0.04 -1.06 120.40 119.60 1x87 s VAL 359 Ca -0.08 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 1x87 s VAL 359 Cb -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.05 1x87 s VAL 359 CO -0.00 0.43 0.86 0.00 0.00 0.00 0.00 175.10 176.39 1x87 s ALA 360 N 0.21 3.21 0.26 5.51 0.00 -0.48 -1.68 121.76 128.80 1x87 s ALA 360 Ca -0.08 -1.40 0.30 0.00 0.00 0.00 0.00 51.96 50.78 1x87 s ALA 360 Cb -0.14 -3.65 1.37 0.00 0.00 0.00 0.00 23.12 20.71 1x87 s ALA 360 CO 0.04 -2.31 2.00 -0.07 0.00 0.00 0.00 175.76 175.42 1x87 h LEU 361 N 10.68 0.00 -2.04 0.00 3.38 -1.84 -2.62 115.31 122.87 1x87 h LEU 361 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1x87 h LEU 361 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1x87 h LEU 361 CO 1.06 0.10 -0.09 0.77 0.09 0.00 0.00 178.44 180.37 1x87 h SER 362 N 0.00 0.00 0.00 -0.43 4.64 -1.81 -3.38 113.55 112.57 1x87 h SER 362 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x87 h SER 362 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1x87 h SER 362 CO 0.01 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1x87 n GLY 363 N -0.96 1.19 3.64 -0.77 0.00 -0.99 -3.68 105.19 103.64 1x87 n GLY 363 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1x87 n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x87 s ASP 364 N -3.07 6.70 0.59 1.61 -1.08 -1.26 -4.72 116.67 115.43 1x87 s ASP 364 Ca 0.00 0.86 0.36 0.00 -0.52 0.00 0.00 52.55 53.25 1x87 s ASP 364 Cb 0.00 -2.37 1.79 0.00 -1.46 0.00 0.00 42.92 40.87 1x87 s ASP 364 CO 0.00 -0.38 2.15 -0.65 0.52 0.00 0.00 175.17 176.81 1x87 h PRO 365 N 7.69 0.00 0.00 4.34 0.11 -1.96 -2.10 132.00 140.08 1x87 h PRO 365 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1x87 h PRO 365 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1x87 h PRO 365 CO 0.80 0.03 -0.31 1.49 -0.21 0.00 0.00 178.00 179.80 1x87 h GLU 366 N 0.00 0.00 -0.83 1.05 4.81 -1.99 -2.20 114.58 115.43 1x87 h GLU 366 Ca -0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1x87 h GLU 366 Cb 0.28 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1x87 h GLU 366 CO 0.00 0.31 0.49 -0.44 -0.73 0.00 0.00 179.01 178.65 1x87 h ASP 367 N 0.00 0.75 -0.10 1.04 5.19 -1.75 -1.16 116.42 120.39 1x87 h ASP 367 Ca -0.00 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1x87 h ASP 367 Cb 0.83 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.22 1x87 h ASP 367 CO 0.04 0.46 -0.07 0.40 -3.12 0.00 0.00 179.24 176.95 1x87 h ILE 368 N 0.88 1.34 -0.44 0.35 1.08 -1.54 -2.57 117.51 116.60 1x87 h ILE 368 Ca 0.37 -1.16 0.02 0.00 -0.39 0.00 0.00 64.86 63.71 1x87 h ILE 368 Cb 0.24 1.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1x87 h ILE 368 CO -0.20 0.33 0.30 1.88 -0.69 0.00 0.00 178.15 179.77 1x87 h TYR 369 N -0.16 0.49 -0.31 1.37 0.05 -1.30 0.17 116.97 117.29 1x87 h TYR 369 Ca 0.02 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 1x87 h TYR 369 Cb 0.55 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1x87 h TYR 369 CO 0.08 0.29 -0.24 0.87 -1.05 0.00 0.00 178.16 178.11 1x87 h LYS 370 N 0.52 0.72 -0.19 4.88 1.57 -1.14 -2.37 116.57 120.56 1x87 h LYS 370 Ca 0.18 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1x87 h LYS 370 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1x87 h LYS 370 CO -0.04 0.97 -0.32 1.79 -0.57 0.00 0.00 179.45 181.28 1x87 h THR 371 N 0.48 1.28 -0.10 -0.16 1.35 -0.95 -2.71 112.91 112.10 1x87 h THR 371 Ca 0.06 -1.36 0.04 0.00 -0.55 0.00 0.00 66.41 64.60 1x87 h THR 371 Cb 0.80 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 68.67 1x87 h THR 371 CO 0.06 0.42 -0.16 0.44 -0.25 0.00 0.00 175.52 176.03 1x87 h ASP 372 N 0.32 -0.50 -0.95 5.36 3.32 -0.58 -2.15 116.42 121.24 1x87 h ASP 372 Ca 0.04 0.09 0.19 0.00 0.02 0.00 0.00 57.03 57.37 1x87 h ASP 372 Cb 0.72 0.23 -0.11 0.00 0.22 0.00 0.00 39.33 40.40 1x87 h ASP 372 CO 0.06 -0.22 0.54 -0.33 -1.72 0.00 0.00 179.24 177.57 1x87 h GLU 373 N -0.22 0.65 -0.23 3.56 4.39 -1.12 -1.03 114.58 120.59 1x87 h GLU 373 Ca 0.09 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1x87 h GLU 373 Cb 0.34 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1x87 h GLU 373 CO -0.23 0.43 -0.30 -0.39 -1.16 0.00 0.00 179.01 177.36 1x87 h VAL 374 N 0.67 1.28 -0.92 3.13 -1.51 -1.18 -0.96 116.25 116.77 1x87 h VAL 374 Ca 0.55 -1.36 0.06 0.00 -1.23 0.00 0.00 66.70 64.72 1x87 h VAL 374 Cb 0.88 1.43 -0.06 0.00 -2.13 0.00 0.00 31.29 31.41 1x87 h VAL 374 CO -0.40 0.43 0.58 0.40 -1.23 0.00 0.00 177.57 177.35 1x87 h ILE 375 N 0.41 1.08 -0.30 7.19 1.08 -0.62 0.71 117.51 127.06 1x87 h ILE 375 Ca 0.05 -0.37 -0.14 0.00 -0.39 0.00 0.00 64.86 64.02 1x87 h ILE 375 Cb 0.74 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1x87 h ILE 375 CO 0.06 0.20 -0.38 -0.07 -0.69 0.00 0.00 178.15 177.26 1x87 h LEU 376 N 1.07 0.73 0.00 1.44 4.07 -0.31 -1.38 115.31 120.93 1x87 h LEU 376 Ca 0.39 -0.32 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1x87 h LEU 376 Cb 0.14 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1x87 h LEU 376 CO -0.16 1.03 -0.18 0.03 -1.08 0.00 0.00 178.44 178.08 1x87 h ARG 377 N 0.57 0.12 0.00 1.13 3.08 -1.13 -3.25 114.38 114.90 1x87 h ARG 377 Ca 0.05 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.79 1x87 h ARG 377 Cb 0.91 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1x87 h ARG 377 CO 0.08 0.89 -1.12 1.49 -1.07 0.00 0.00 179.97 180.25 1x87 h GLU 378 N -0.60 0.00 -0.02 0.04 4.57 -0.85 -3.30 114.58 114.42 1x87 h GLU 378 Ca -0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1x87 h GLU 378 Cb 0.96 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1x87 h GLU 378 CO 0.04 0.57 -0.52 1.19 -1.18 0.00 0.00 179.01 179.10 1x87 n PHE 379 N -3.13 0.09 0.25 0.92 3.01 -0.52 -4.83 117.46 113.24 1x87 n PHE 379 Ca -0.05 -1.50 0.17 0.00 1.01 0.00 0.00 57.45 57.08 1x87 n PHE 379 Cb 0.88 -0.25 0.81 0.00 -0.01 0.00 0.00 39.48 40.91 1x87 n PHE 379 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1x87 h SER 380 N 1.04 0.00 -0.78 4.37 4.64 -1.64 0.13 113.55 121.31 1x87 h SER 380 Ca 0.01 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.42 1x87 h SER 380 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1x87 h SER 380 CO 0.03 0.00 0.51 0.44 -0.87 0.00 0.00 176.83 176.94 1x87 h ASP 381 N 0.00 0.66 -2.62 4.97 5.19 -1.90 -3.40 116.42 119.32 1x87 h ASP 381 Ca 0.07 0.01 -0.67 0.00 -0.62 0.00 0.00 57.03 55.82 1x87 h ASP 381 Cb 0.76 -0.12 -0.17 0.00 0.18 0.00 0.00 39.33 39.98 1x87 h ASP 381 CO -0.00 0.40 0.58 0.21 -3.12 0.00 0.00 179.24 177.31 1x87 s ASN 382 N -6.07 6.39 0.16 6.45 3.84 0.46 -4.92 114.94 121.26 1x87 s ASN 382 Ca -0.10 -1.58 -0.12 0.00 0.21 0.00 0.00 52.86 51.28 1x87 s ASN 382 Cb 0.20 -2.38 0.05 0.00 -0.55 0.00 0.00 41.25 38.57 1x87 s ASN 382 CO 0.78 -1.19 1.67 -0.08 -2.79 0.00 0.00 177.10 175.48 1x87 h GLU 383 N 9.13 0.91 -0.10 0.43 4.22 -1.84 -2.37 114.58 124.96 1x87 h GLU 383 Ca -0.08 -0.23 -0.11 0.00 0.08 0.00 0.00 59.36 59.01 1x87 h GLU 383 Cb 1.05 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1x87 h GLU 383 CO 1.12 0.86 -0.45 0.00 -2.18 0.00 0.00 179.01 178.37 1x87 h ARG 384 N 0.81 0.24 0.36 1.92 2.47 -1.91 0.83 114.38 119.11 1x87 h ARG 384 Ca 0.18 -0.12 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1x87 h ARG 384 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1x87 h ARG 384 CO 0.00 0.65 -0.17 1.25 0.56 0.00 0.00 179.97 182.26 1x87 h LEU 385 N 0.20 -0.41 -1.06 3.04 5.85 -1.89 -0.81 115.31 120.23 1x87 h LEU 385 Ca 0.01 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1x87 h LEU 385 Cb 0.87 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1x87 h LEU 385 CO 0.07 -0.22 0.28 0.00 -0.34 0.00 0.00 178.44 178.24 1x87 h HIS 387 N 0.94 1.08 0.10 0.00 -0.00 -0.83 -2.16 115.15 114.29 1x87 h HIS 387 Ca 0.23 -0.18 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1x87 h HIS 387 Cb 0.15 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1x87 h HIS 387 CO 0.01 0.97 -0.15 2.35 -0.00 0.00 0.00 177.93 181.11 1x87 h TRP 388 N 0.88 -0.40 -0.38 5.26 2.91 -0.60 -2.92 115.95 120.70 1x87 h TRP 388 Ca 0.16 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.26 1x87 h TRP 388 Cb 0.53 0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 29.27 1x87 h TRP 388 CO 0.04 -0.23 -0.05 0.82 -1.03 0.00 0.00 178.44 177.99 1x87 h ILE 389 N -0.31 0.66 0.00 2.65 1.08 -1.01 0.12 117.51 120.71 1x87 h ILE 389 Ca 0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1x87 h ILE 389 Cb 0.32 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1x87 h ILE 389 CO -0.07 0.01 0.00 0.54 -0.69 0.00 0.00 178.15 177.93 1x87 n ARG 390 N -5.24 0.13 0.00 2.37 1.74 -0.82 -2.52 116.66 112.31 1x87 n ARG 390 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1x87 n ARG 390 Cb 0.21 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1x87 n ARG 390 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x87 n ALA 392 N 0.45 0.00 0.05 7.54 0.00 0.42 -3.63 120.51 125.35 1x87 n ALA 392 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1x87 n ALA 392 Cb 0.03 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.71 1x87 n ALA 392 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1x87 h GLN 393 N 0.00 0.37 0.17 0.00 4.20 -1.74 -1.59 115.11 116.53 1x87 h GLN 393 Ca 0.00 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 58.32 1x87 h GLN 393 Cb 0.00 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.79 1x87 h GLN 393 CO 0.00 0.64 -1.08 -0.22 -0.67 0.00 0.00 178.83 177.51 1x87 h LYS 394 N 0.32 0.36 0.00 1.46 3.64 -1.87 -3.43 116.57 117.05 1x87 h LYS 394 Ca 0.04 -0.61 -0.36 0.00 -1.27 0.00 0.00 60.65 58.45 1x87 h LYS 394 Cb 0.71 0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 1x87 h LYS 394 CO 0.05 1.29 -2.37 0.54 -2.27 0.00 0.00 179.45 176.70 1x87 n ARG 395 N -3.99 0.75 -3.02 1.90 5.12 -1.19 -4.85 116.66 111.39 1x87 n ARG 395 Ca -0.16 0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.36 1x87 n ARG 395 Cb 0.91 -1.51 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 1x87 n ARG 395 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x87 s ILE 396 N -2.48 4.95 0.01 0.55 -1.09 -0.60 -5.04 121.20 117.49 1x87 s ILE 396 Ca -0.13 1.36 -0.17 0.00 -2.23 0.00 0.00 60.65 59.48 1x87 s ILE 396 Cb 0.06 -4.02 -0.06 0.00 -1.58 0.00 0.00 42.46 36.86 1x87 s ILE 396 CO 0.78 0.05 0.49 -0.54 -1.23 0.00 0.00 174.94 174.49 1x87 s LYS 397 N 2.20 4.11 0.40 2.79 -0.14 -1.26 -4.77 119.74 123.07 1x87 s LYS 397 Ca 0.32 0.56 -0.26 0.00 -1.36 0.00 0.00 55.97 55.22 1x87 s LYS 397 Cb -0.16 -3.27 -0.09 0.00 -1.68 0.00 0.00 37.83 32.63 1x87 s LYS 397 CO 0.10 0.57 1.31 -0.06 -0.76 0.00 0.00 175.35 176.51 1x87 s PHE 398 N -0.76 2.83 -0.16 3.18 2.99 -1.26 -4.96 117.98 119.84 1x87 s PHE 398 Ca 0.26 1.40 0.00 0.00 0.00 0.00 0.00 56.93 58.60 1x87 s PHE 398 Cb -0.18 -3.68 0.03 0.00 0.00 0.00 0.00 43.02 39.19 1x87 s PHE 398 CO 0.15 -2.10 -0.10 -0.65 -0.00 0.00 0.00 175.22 172.52 1x87 s GLN 399 N -2.19 1.92 4.10 0.44 -0.21 -1.26 -5.03 119.66 117.43 1x87 s GLN 399 Ca 0.56 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.37 1x87 s GLN 399 Cb -0.39 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.55 1x87 s GLN 399 CO 0.50 -0.33 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1x87 n GLY 400 N 4.80 0.76 3.77 3.09 0.00 -1.26 -4.72 105.19 111.62 1x87 n GLY 400 Ca -0.15 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1x87 n GLY 400 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x87 s LEU 401 N 0.00 4.36 0.30 0.99 1.43 -1.26 -4.92 118.68 119.58 1x87 s LEU 401 Ca 0.00 2.89 -0.30 0.00 -1.03 0.00 0.00 54.13 55.69 1x87 s LEU 401 Cb 0.00 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.46 1x87 s LEU 401 CO 0.00 -0.77 1.57 -2.84 0.23 0.00 0.00 176.35 174.54 1x87 s PRO 402 N -1.52 4.13 0.02 1.29 0.02 -1.26 -4.85 135.00 132.82 1x87 s PRO 402 Ca 0.54 2.56 -0.15 0.00 0.02 0.00 0.00 61.00 63.97 1x87 s PRO 402 Cb -0.44 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.08 1x87 s PRO 402 CO 0.55 -0.60 0.33 0.00 -0.33 0.00 0.00 177.00 176.95 1x87 s ALA 403 N -0.17 -0.79 0.03 -1.55 0.00 -1.26 -1.38 121.76 116.64 1x87 s ALA 403 Ca 0.61 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1x87 s ALA 403 Cb -0.47 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1x87 s ALA 403 CO 0.50 -0.36 -0.12 0.50 0.00 0.00 0.00 175.76 176.27 1x87 s ARG 404 N -2.05 0.86 -0.03 0.00 6.06 -0.22 -4.98 118.95 118.58 1x87 s ARG 404 Ca -0.08 -0.66 0.06 0.00 -2.50 0.00 0.00 55.73 52.55 1x87 s ARG 404 Cb -0.02 -0.84 -0.01 0.00 0.06 0.00 0.00 34.95 34.13 1x87 s ARG 404 CO -0.00 0.21 -0.22 -1.50 -2.50 0.00 0.00 175.30 171.29 1x87 s ILE 405 N -0.75 1.74 0.29 4.11 1.10 -1.26 -0.95 121.20 125.48 1x87 s ILE 405 Ca 0.01 -0.92 -0.15 0.00 -0.51 0.00 0.00 60.65 59.08 1x87 s ILE 405 Cb -0.07 -1.47 0.02 0.00 0.15 0.00 0.00 42.46 41.09 1x87 s ILE 405 CO 0.01 0.49 0.62 0.00 -2.11 0.00 0.00 174.94 173.95 1x87 s TRP 407 N -3.60 3.28 0.04 0.00 0.52 -1.26 0.33 118.94 118.26 1x87 s TRP 407 Ca 0.18 0.45 0.06 0.00 0.02 0.00 0.00 56.10 56.81 1x87 s TRP 407 Cb -0.03 -2.54 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 1x87 s TRP 407 CO 0.10 -0.16 -0.17 -0.51 0.02 0.00 0.00 176.95 176.23 1x87 s LEU 408 N 1.82 2.17 0.00 2.99 1.43 -0.93 -4.83 118.68 121.33 1x87 s LEU 408 Ca 0.15 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1x87 s LEU 408 Cb -0.15 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1x87 s LEU 408 CO 0.09 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1x87 n GLY 409 N 1.86 2.78 3.70 -3.19 0.00 -1.26 -2.27 105.19 106.81 1x87 n GLY 409 Ca -0.18 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 1x87 n GLY 409 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x87 s TYR 410 N 2.19 2.60 0.00 1.61 6.14 -1.25 -2.57 117.35 126.07 1x87 s TYR 410 Ca 0.00 0.29 0.00 0.00 0.64 0.00 0.00 57.07 58.00 1x87 s TYR 410 Cb 0.00 -4.06 0.00 0.00 0.42 0.00 0.00 41.96 38.32 1x87 s TYR 410 CO 0.00 -4.16 0.00 0.41 0.64 0.00 0.00 175.55 172.44 1x87 n GLY 411 N 4.01 2.31 0.28 8.97 0.00 -1.26 -4.78 105.19 114.72 1x87 n GLY 411 Ca 0.16 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 1x87 n GLY 411 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x87 h GLU 412 N 0.00 0.95 -0.14 1.61 5.08 -1.90 -2.73 114.58 117.46 1x87 h GLU 412 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1x87 h GLU 412 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1x87 h GLU 412 CO 0.00 0.92 0.09 0.00 -1.00 0.00 0.00 179.01 179.02 1x87 h ARG 413 N 0.84 0.18 -0.64 2.33 3.08 -1.79 -1.92 114.38 116.46 1x87 h ARG 413 Ca 0.17 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1x87 h ARG 413 Cb 0.45 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1x87 h ARG 413 CO 0.02 0.14 0.05 0.00 -1.07 0.00 0.00 179.97 179.10 1x87 h ALA 414 N 1.03 0.88 0.10 0.04 0.00 -1.72 0.30 119.26 119.89 1x87 h ALA 414 Ca 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x87 h ALA 414 Cb -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1x87 h ALA 414 CO -0.01 0.67 -0.05 -0.22 0.00 0.00 0.00 179.25 179.64 1x87 h LYS 415 N 1.01 -0.13 -0.26 0.00 3.64 -1.39 -1.54 116.57 117.89 1x87 h LYS 415 Ca 0.19 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1x87 h LYS 415 Cb 0.51 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1x87 h LYS 415 CO 0.02 -0.04 0.11 0.35 -2.27 0.00 0.00 179.45 177.62 1x87 h PHE 416 N -0.18 0.20 -0.95 1.91 3.57 -1.26 -2.69 116.94 117.54 1x87 h PHE 416 Ca -0.01 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1x87 h PHE 416 Cb 0.15 -0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.73 1x87 h PHE 416 CO -0.06 0.11 0.55 0.78 -2.23 0.00 0.00 178.31 177.46 1x87 h GLY 417 N 0.25 1.64 0.88 2.40 0.00 -0.72 -1.55 103.07 105.97 1x87 h GLY 417 Ca 0.11 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1x87 h GLY 417 CO -0.10 -0.04 -0.33 1.70 0.00 0.00 0.00 176.54 177.77 1x87 h LYS 418 N 0.72 0.56 -0.32 4.80 1.63 -1.13 -2.04 116.57 120.80 1x87 h LYS 418 Ca 0.53 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1x87 h LYS 418 Cb 0.79 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 1x87 h LYS 418 CO -0.37 0.96 0.18 0.82 -3.45 0.00 0.00 179.45 177.58 1x87 h ILE 419 N 0.22 1.13 -0.64 2.00 2.04 -1.08 -0.16 117.51 121.01 1x87 h ILE 419 Ca 0.01 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1x87 h ILE 419 Cb 0.92 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1x87 h ILE 419 CO 0.07 0.13 0.34 0.40 0.00 0.00 0.00 178.15 179.10 1x87 h ILE 420 N 0.40 0.95 -0.68 -0.67 2.04 -1.35 -2.16 117.51 116.04 1x87 h ILE 420 Ca 0.11 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1x87 h ILE 420 Cb 0.05 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1x87 h ILE 420 CO -0.02 0.12 0.14 -1.13 0.00 0.00 0.00 178.15 177.26 1x87 h ASN 421 N 0.64 1.06 0.00 1.72 -1.24 -0.86 -1.54 115.58 115.36 1x87 h ASN 421 Ca 0.29 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1x87 h ASN 421 Cb 0.19 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1x87 h ASN 421 CO -0.18 1.03 0.00 0.47 -1.29 0.00 0.00 177.43 177.46 1x87 n ASP 422 N -4.24 0.14 0.00 1.15 10.43 -0.12 -1.74 116.55 122.17 1x87 n ASP 422 Ca 0.05 -0.10 0.00 0.00 2.57 0.00 0.00 54.79 57.31 1x87 n ASP 422 Cb 0.27 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.21 1x87 n ASP 422 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1x87 n VAL 424 N 0.92 0.00 -0.33 2.53 0.31 -0.58 -1.27 118.33 119.91 1x87 n VAL 424 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1x87 n VAL 424 Cb 0.02 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.11 1x87 n VAL 424 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x87 h ALA 425 N 0.00 1.35 0.00 3.52 0.00 -1.55 -2.48 119.26 120.10 1x87 h ALA 425 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x87 h ALA 425 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1x87 h ALA 425 CO 0.00 0.59 0.00 1.63 0.00 0.00 0.00 179.25 181.47 1x87 n LYS 426 N -4.41 0.04 -0.99 0.00 4.01 -0.40 -4.93 118.16 111.49 1x87 n LYS 426 Ca 0.11 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1x87 n LYS 426 Cb 0.04 -1.55 0.00 0.00 -0.51 0.00 0.00 35.03 33.01 1x87 n LYS 426 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x87 n GLY 427 N 1.32 0.59 0.23 0.72 0.00 -0.94 -4.90 105.19 102.21 1x87 n GLY 427 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1x87 n GLY 427 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x87 h GLU 428 N 1.44 0.00 -6.00 1.61 5.08 -1.90 -3.40 114.58 111.41 1x87 h GLU 428 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1x87 h GLU 428 Cb 0.07 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.19 1x87 h GLU 428 CO 0.00 0.21 -0.60 -0.51 -1.00 0.00 0.00 179.01 177.11 1x87 s LEU 429 N -7.17 3.72 0.33 1.33 1.43 -1.26 -4.96 118.68 112.10 1x87 s LEU 429 Ca -0.01 0.13 0.25 0.00 -1.03 0.00 0.00 54.13 53.47 1x87 s LEU 429 Cb 0.12 -2.03 0.67 0.00 0.03 0.00 0.00 46.19 44.98 1x87 s LEU 429 CO 0.63 0.32 1.72 0.11 0.23 0.00 0.00 176.35 179.36 1x87 h LYS 430 N 4.61 0.00 -3.20 1.70 1.57 -1.94 -3.43 116.57 115.87 1x87 h LYS 430 Ca -0.50 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1x87 h LYS 430 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 1x87 h LYS 430 CO 0.58 0.00 0.14 0.00 -0.57 0.00 0.00 179.45 179.59 1x87 s ALA 431 N -3.20 -0.85 0.87 3.86 0.00 -1.26 -4.77 121.76 116.41 1x87 s ALA 431 Ca 0.08 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 1x87 s ALA 431 Cb 0.09 0.89 0.06 0.00 0.00 0.00 0.00 23.12 24.16 1x87 s ALA 431 CO 0.61 -0.98 0.79 -2.30 0.00 0.00 0.00 175.76 173.88 1x87 n PRO 432 N -0.45 -0.09 -4.62 0.00 -0.02 -1.26 -4.74 135.00 123.82 1x87 n PRO 432 Ca -0.04 0.04 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1x87 n PRO 432 Cb 0.60 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 1x87 n PRO 432 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1x87 s ILE 433 N -2.28 3.17 -0.10 4.25 -1.09 -0.99 -3.05 121.20 121.12 1x87 s ILE 433 Ca 0.65 -0.61 -0.28 0.00 -2.23 0.00 0.00 60.65 58.18 1x87 s ILE 433 Cb -0.26 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 1x87 s ILE 433 CO 0.59 0.51 0.92 -0.69 -1.23 0.00 0.00 174.94 175.04 1x87 s VAL 434 N 0.49 4.85 -0.14 2.92 1.01 -0.68 -0.95 120.40 127.91 1x87 s VAL 434 Ca -0.08 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 1x87 s VAL 434 Cb -0.15 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1x87 s VAL 434 CO 0.04 0.06 -0.12 -0.63 0.00 0.00 0.00 175.10 174.45 1x87 s ILE 435 N 1.78 3.17 0.05 2.22 1.01 0.09 -0.78 121.20 128.73 1x87 s ILE 435 Ca 0.45 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1x87 s ILE 435 Cb -0.18 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 1x87 s ILE 435 CO 0.18 0.52 0.13 -0.83 0.00 0.00 0.00 174.94 174.93 1x87 s GLY 436 N 0.40 0.14 -0.20 6.18 0.00 -0.53 -0.19 107.32 113.12 1x87 s GLY 436 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1x87 s GLY 436 CO 0.05 -0.68 -0.11 -1.60 0.00 0.00 0.00 173.10 170.76 1x87 s ARG 437 N -2.84 2.10 0.76 2.90 3.52 -1.26 -2.29 118.95 121.84 1x87 s ARG 437 Ca -0.03 -0.88 -0.12 0.00 -0.13 0.00 0.00 55.73 54.56 1x87 s ARG 437 Cb 0.00 -2.47 0.05 0.00 -1.56 0.00 0.00 34.95 30.98 1x87 s ARG 437 CO -0.06 -0.43 1.13 0.34 -0.81 0.00 0.00 175.30 175.47 1x87 s ASP 438 N 1.37 4.35 0.41 -2.12 2.15 -1.26 -4.49 116.67 117.07 1x87 s ASP 438 Ca -0.02 2.03 0.25 0.00 0.43 0.00 0.00 52.55 55.24 1x87 s ASP 438 Cb -0.16 -2.55 1.29 0.00 -0.30 0.00 0.00 42.92 41.20 1x87 s ASP 438 CO -0.08 -2.14 1.67 0.45 -0.17 0.00 0.00 175.17 174.89 1x87 h HIS 439 N -0.78 0.62 -1.82 -5.34 3.86 -1.95 -3.44 115.15 106.29 1x87 h HIS 439 Ca -0.45 0.03 -0.47 0.00 -1.16 0.00 0.00 60.37 58.31 1x87 h HIS 439 Cb 1.25 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 1x87 h HIS 439 CO 0.54 -0.14 1.26 -0.51 0.86 0.00 0.00 177.93 179.94 1x87 s LEU 440 N -9.66 3.27 0.12 2.43 1.43 -1.26 -4.53 118.68 110.47 1x87 s LEU 440 Ca -0.08 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1x87 s LEU 440 Cb 0.29 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1x87 s LEU 440 CO 0.81 -2.39 0.17 -0.62 0.23 0.00 0.00 176.35 174.55 1x87 s ASP 460 N 7.86 5.89 0.00 2.29 2.15 -1.26 -5.00 116.67 128.59 1x87 s ASP 460 Ca 0.66 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.69 1x87 s ASP 460 Cb -0.11 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1x87 s ASP 460 CO 0.17 0.11 0.00 0.00 -0.17 0.00 0.00 175.17 175.28 1x87 n ALA 461 N -0.06 0.00 -0.32 3.66 0.00 -1.26 -4.83 120.51 117.70 1x87 n ALA 461 Ca -0.07 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.64 1x87 n ALA 461 Cb 0.53 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.50 1x87 n ALA 461 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1x87 h ILE 462 N 0.00 0.07 0.00 0.00 2.10 -2.03 -2.60 117.51 115.05 1x87 h ILE 462 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1x87 h ILE 462 Cb 0.00 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 35.72 1x87 h ILE 462 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1x87 h ALA 463 N 1.96 1.00 -0.91 0.18 0.00 -1.94 -3.15 119.26 116.40 1x87 h ALA 463 Ca 0.78 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.84 1x87 h ALA 463 Cb 1.96 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.65 1x87 h ALA 463 CO -0.75 0.00 0.51 -0.44 0.00 0.00 0.00 179.25 178.57 1x87 h ASP 464 N 0.00 0.67 0.11 0.00 3.45 -1.85 -3.23 116.42 115.57 1x87 h ASP 464 Ca 0.00 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 1x87 h ASP 464 Cb 0.68 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1x87 h ASP 464 CO 0.00 0.29 -0.05 -0.50 -1.57 0.00 0.00 179.24 177.41 1x87 h TRP 465 N 0.73 -0.14 0.00 4.55 4.06 -1.73 -1.51 115.95 121.91 1x87 h TRP 465 Ca 0.49 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.42 1x87 h TRP 465 Cb 0.66 0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.86 1x87 h TRP 465 CO -0.05 0.17 -0.05 -1.00 -3.56 0.00 0.00 178.44 173.94 1x87 h PRO 466 N -0.45 0.00 -0.22 0.49 0.13 -1.78 -0.53 132.00 129.65 1x87 h PRO 466 Ca -0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.96 1x87 h PRO 466 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1x87 h PRO 466 CO 0.02 0.05 -0.46 0.82 -0.23 0.00 0.00 178.00 178.21 1x87 h ILE 467 N 0.00 1.31 -0.44 -3.56 2.04 -1.51 -1.58 117.51 113.77 1x87 h ILE 467 Ca -0.00 -1.68 -0.11 0.00 1.00 0.00 0.00 64.86 64.08 1x87 h ILE 467 Cb 0.10 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1x87 h ILE 467 CO 0.01 0.53 -0.14 -0.07 0.00 0.00 0.00 178.15 178.47 1x87 h LEU 468 N 0.40 0.89 -0.18 1.44 3.38 -1.05 -1.59 115.31 118.60 1x87 h LEU 468 Ca 0.00 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1x87 h LEU 468 Cb 1.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1x87 h LEU 468 CO 0.10 1.06 0.04 -1.13 0.09 0.00 0.00 178.44 178.60 1x87 h ASN 469 N 0.71 0.02 -0.41 -0.43 -0.73 -1.08 0.19 115.58 113.85 1x87 h ASN 469 Ca 0.11 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1x87 h ASN 469 Cb 0.69 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 1x87 h ASN 469 CO 0.05 0.04 0.26 0.00 -0.37 0.00 0.00 177.43 177.41 1x87 h ALA 470 N 1.13 0.51 -0.49 1.57 0.00 -1.22 0.08 119.26 120.84 1x87 h ALA 470 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1x87 h ALA 470 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1x87 h ALA 470 CO -0.10 -0.02 0.06 -0.07 0.00 0.00 0.00 179.25 179.12 1x87 h LEU 471 N 0.54 0.79 -0.23 0.00 3.38 -1.03 -1.87 115.31 116.90 1x87 h LEU 471 Ca 0.15 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1x87 h LEU 471 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1x87 h LEU 471 CO -0.03 0.86 -0.10 0.25 0.09 0.00 0.00 178.44 179.51 1x87 h LEU 472 N 0.69 0.48 -0.93 1.67 5.85 -0.44 -2.44 115.31 120.19 1x87 h LEU 472 Ca 0.15 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1x87 h LEU 472 Cb 0.42 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1x87 h LEU 472 CO 0.01 0.78 0.33 0.78 -0.34 0.00 0.00 178.44 180.00 1x87 h ASN 473 N 0.18 1.00 0.05 1.25 -0.26 -0.97 -1.50 115.58 115.34 1x87 h ASN 473 Ca 0.05 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1x87 h ASN 473 Cb 0.59 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1x87 h ASN 473 CO 0.03 0.87 -0.02 0.00 -1.06 0.00 0.00 177.43 177.25 1x87 h ALA 474 N 1.28 -0.06 -0.22 -0.83 0.00 -1.31 -1.29 119.26 116.83 1x87 h ALA 474 Ca 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1x87 h ALA 474 Cb 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1x87 h ALA 474 CO -0.03 -0.52 -0.08 0.28 0.00 0.00 0.00 179.25 178.90 1x87 h VAL 475 N -0.09 1.18 0.00 0.00 2.07 -1.32 -2.60 116.25 115.49 1x87 h VAL 475 Ca -0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1x87 h VAL 475 Cb 0.08 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1x87 h VAL 475 CO 0.01 0.25 0.00 1.23 0.02 0.00 0.00 177.57 179.08 1x87 h GLY 476 N 0.75 0.00 0.00 2.17 0.00 -1.12 -3.48 103.07 101.40 1x87 h GLY 476 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1x87 h GLY 476 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1x87 n GLY 477 N 0.92 1.51 3.59 4.60 0.00 -0.91 -4.56 105.19 110.33 1x87 n GLY 477 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1x87 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x87 n ALA 478 N -0.39 -0.16 0.05 4.61 0.00 -0.53 -4.79 120.51 119.29 1x87 n ALA 478 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1x87 n ALA 478 Cb 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 19.45 17.31 1x87 n ALA 478 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x87 h SER 479 N 0.25 0.79 -5.13 0.00 0.02 -0.59 -3.17 113.55 105.73 1x87 h SER 479 Ca -0.48 -0.63 -0.06 0.00 -0.84 0.00 0.00 61.79 59.78 1x87 h SER 479 Cb 1.37 -0.24 -0.13 0.00 0.14 0.00 0.00 62.40 63.54 1x87 h SER 479 CO 0.49 1.43 -0.15 -1.66 -1.14 0.00 0.00 176.83 175.79 1x87 s TRP 480 N -3.32 -0.02 -0.01 3.45 -2.14 -0.83 -1.31 118.94 114.76 1x87 s TRP 480 Ca -0.08 -0.34 -0.01 0.00 2.66 0.00 0.00 56.10 58.33 1x87 s TRP 480 Cb 0.08 0.17 0.01 0.00 -3.10 0.00 0.00 33.47 30.62 1x87 s TRP 480 CO 0.90 -0.71 0.03 0.08 -2.66 0.00 0.00 176.95 174.59 1x87 s VAL 481 N -3.86 -0.01 -0.02 -0.66 1.01 -1.13 -1.20 120.40 114.53 1x87 s VAL 481 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1x87 s VAL 481 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1x87 s VAL 481 CO -0.08 0.02 -0.09 -0.94 0.00 0.00 0.00 175.10 174.01 1x87 s SER 482 N 0.27 1.19 -0.13 3.32 1.04 -0.85 -1.07 113.70 117.48 1x87 s SER 482 Ca -0.02 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1x87 s SER 482 Cb -0.03 -0.27 -0.00 0.00 0.10 0.00 0.00 66.02 65.82 1x87 s SER 482 CO -0.01 0.08 -0.19 -0.69 0.98 0.00 0.00 173.24 173.42 1x87 s VAL 483 N 0.08 2.47 -0.15 5.02 1.01 -0.24 -0.86 120.40 127.73 1x87 s VAL 483 Ca -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1x87 s VAL 483 Cb -0.07 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1x87 s VAL 483 CO 0.00 0.54 -0.05 -2.28 0.00 0.00 0.00 175.10 173.31 1x87 s HIS 484 N 0.53 2.99 -0.24 5.22 2.46 0.27 -1.31 115.29 125.20 1x87 s HIS 484 Ca -0.12 -0.36 -0.03 0.00 0.47 0.00 0.00 55.06 55.01 1x87 s HIS 484 Cb -0.16 -1.94 0.01 0.00 -0.13 0.00 0.00 32.58 30.35 1x87 s HIS 484 CO 0.04 -0.07 -0.04 -1.01 -2.47 0.00 0.00 174.74 171.19 1x87 s HIS 485 N 0.38 3.02 0.34 3.88 3.76 0.36 -1.24 115.29 125.79 1x87 s HIS 485 Ca -0.05 -1.18 0.05 0.00 -0.15 0.00 0.00 55.06 53.73 1x87 s HIS 485 Cb -0.14 -2.11 -0.07 0.00 1.11 0.00 0.00 32.58 31.37 1x87 s HIS 485 CO 0.03 -0.62 0.04 0.20 -0.85 0.00 0.00 174.74 173.54 1x87 s GLY 486 N 1.42 2.17 0.00 -2.22 0.00 -0.43 -0.64 107.32 107.62 1x87 s GLY 486 Ca 0.03 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 42.64 1x87 s GLY 486 CO -0.03 -1.88 0.00 0.61 0.00 0.00 0.00 173.10 171.79 1x87 n GLY 487 N -0.75 -0.72 0.00 0.20 0.00 -1.15 -1.41 105.19 101.36 1x87 n GLY 487 Ca -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1x87 n GLY 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x87 n GLY 488 N 0.00 0.44 3.64 -0.02 0.00 -0.79 -0.99 105.19 107.46 1x87 n GLY 488 Ca 0.00 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 44.78 1x87 n GLY 488 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x87 n VAL 489 N -0.03 1.21 -0.18 1.61 0.31 -1.26 -1.90 118.33 118.10 1x87 n VAL 489 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1x87 n VAL 489 Cb 0.00 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1x87 n VAL 489 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x87 n GLY 490 N 1.82 0.90 3.34 2.92 0.00 -1.26 -4.32 105.19 108.60 1x87 n GLY 490 Ca 0.11 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1x87 n GLY 490 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x87 s GLY 492 N -2.07 2.11 0.16 -0.02 0.00 -0.80 -5.04 107.32 101.66 1x87 s GLY 492 Ca 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 44.72 42.86 1x87 s GLY 492 CO 0.00 -1.35 -0.14 -0.19 0.00 0.00 0.00 173.10 171.42 1x87 s TYR 493 N -3.33 1.54 0.02 1.90 1.51 -1.26 -1.89 117.35 115.84 1x87 s TYR 493 Ca 0.38 -0.58 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1x87 s TYR 493 Cb 0.02 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1x87 s TYR 493 CO 0.26 0.23 -0.03 -1.54 -1.11 0.00 0.00 175.55 173.36 1x87 s SER 494 N -2.90 0.27 -0.04 2.29 1.04 -0.50 -4.96 113.70 108.90 1x87 s SER 494 Ca 0.16 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.10 1x87 s SER 494 Cb -0.02 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 1x87 s SER 494 CO 0.04 -0.32 -0.18 -0.63 0.98 0.00 0.00 173.24 173.14 1x87 s ILE 495 N -1.61 1.50 0.04 -1.02 1.01 -1.26 -1.31 121.20 118.55 1x87 s ILE 495 Ca -0.14 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1x87 s ILE 495 Cb -0.09 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1x87 s ILE 495 CO -0.02 0.43 -0.09 -1.00 0.00 0.00 0.00 174.94 174.27 1x87 s HIS 496 N -0.00 0.76 0.01 3.97 3.76 -0.38 -4.86 115.29 118.54 1x87 s HIS 496 Ca -0.03 -0.44 0.04 0.00 -0.15 0.00 0.00 55.06 54.47 1x87 s HIS 496 Cb -0.12 -0.45 -0.01 0.00 1.11 0.00 0.00 32.58 33.11 1x87 s HIS 496 CO 0.02 -0.05 -0.12 0.00 -0.85 0.00 0.00 174.74 173.74 1x87 s ALA 497 N -1.21 1.02 0.00 -1.40 0.00 -1.26 0.93 121.76 119.85 1x87 s ALA 497 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1x87 s ALA 497 Cb -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1x87 s ALA 497 CO 0.01 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1x87 n GLY 498 N 2.51 6.26 3.21 0.00 0.00 -0.03 -4.19 105.19 112.94 1x87 n GLY 498 Ca -0.15 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 1x87 n GLY 498 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x87 s VAL 500 N 0.33 0.01 -0.02 1.61 1.01 -0.34 -2.01 120.40 120.99 1x87 s VAL 500 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1x87 s VAL 500 Cb 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 1x87 s VAL 500 CO 0.00 -0.03 -0.12 -0.51 0.00 0.00 0.00 175.10 174.44 1x87 s ILE 501 N 0.02 0.99 -0.27 2.22 2.07 0.73 0.20 121.20 127.17 1x87 s ILE 501 Ca -0.01 -0.50 -0.11 0.00 -1.41 0.00 0.00 60.65 58.61 1x87 s ILE 501 Cb -0.03 -0.85 -0.05 0.00 0.13 0.00 0.00 42.46 41.66 1x87 s ILE 501 CO 0.01 0.29 0.20 -0.69 -1.91 0.00 0.00 174.94 172.84 1x87 s VAL 502 N -0.03 5.31 -0.78 4.00 1.01 -1.26 -0.73 120.40 127.92 1x87 s VAL 502 Ca -0.00 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 1x87 s VAL 502 Cb -0.08 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.84 1x87 s VAL 502 CO 0.00 0.26 1.11 0.00 0.00 0.00 0.00 175.10 176.47 1x87 s ALA 503 N 1.64 3.07 -0.99 5.51 0.00 -0.12 -4.89 121.76 125.98 1x87 s ALA 503 Ca 0.08 -2.03 0.18 0.00 0.00 0.00 0.00 51.96 50.19 1x87 s ALA 503 Cb -0.15 -4.05 0.70 0.00 0.00 0.00 0.00 23.12 19.62 1x87 s ALA 503 CO 0.10 -3.00 1.61 -0.40 0.00 0.00 0.00 175.76 174.06 1x87 n ASP 504 N 7.85 4.70 0.00 0.00 5.68 -1.26 -2.33 116.55 131.18 1x87 n ASP 504 Ca 0.08 -2.50 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1x87 n ASP 504 Cb 0.47 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1x87 n ASP 504 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x87 n GLY 505 N 0.95 2.13 3.85 6.12 0.00 -1.26 -4.73 105.19 112.25 1x87 n GLY 505 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1x87 n GLY 505 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x87 s THR 506 N -3.09 4.57 0.38 2.61 -4.23 -1.26 -4.43 115.64 110.19 1x87 s THR 506 Ca 0.00 1.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.63 1x87 s THR 506 Cb 0.00 -3.77 0.10 0.00 1.34 0.00 0.00 72.50 70.17 1x87 s THR 506 CO 0.00 -0.94 1.84 0.11 -0.54 0.00 0.00 174.62 175.10 1x87 h LYS 507 N 0.16 0.00 -0.25 3.99 6.56 -1.99 -2.45 116.57 122.59 1x87 h LYS 507 Ca -0.45 -0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.05 1x87 h LYS 507 Cb 1.19 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 1x87 h LYS 507 CO 0.61 0.35 -0.17 0.93 -2.06 0.00 0.00 179.45 179.12 1x87 h GLU 508 N 0.00 0.56 -0.60 3.15 3.07 -2.01 -3.02 114.58 115.74 1x87 h GLU 508 Ca -0.00 -0.27 0.01 0.00 -0.50 0.00 0.00 59.36 58.60 1x87 h GLU 508 Cb 0.62 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1x87 h GLU 508 CO 0.05 0.84 0.40 0.00 -1.40 0.00 0.00 179.01 178.89 1x87 h ALA 509 N 0.70 1.56 -0.45 3.43 0.00 -1.89 -2.69 119.26 119.93 1x87 h ALA 509 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x87 h ALA 509 Cb 0.70 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1x87 h ALA 509 CO 0.05 0.40 0.24 1.49 0.00 0.00 0.00 179.25 181.43 1x87 h GLU 510 N 0.82 0.63 -0.62 0.00 4.81 -1.36 0.40 114.58 119.26 1x87 h GLU 510 Ca 0.22 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1x87 h GLU 510 Cb -0.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1x87 h GLU 510 CO -0.05 0.50 0.32 0.87 -0.73 0.00 0.00 179.01 179.92 1x87 h LYS 511 N 0.59 0.88 -0.56 1.92 1.57 -1.38 -1.64 116.57 117.95 1x87 h LYS 511 Ca 0.16 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1x87 h LYS 511 Cb 0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1x87 h LYS 511 CO -0.02 0.69 -0.08 0.00 -0.57 0.00 0.00 179.45 179.46 1x87 h ARG 512 N 0.84 1.04 0.04 3.15 3.08 -1.22 -2.64 114.38 118.67 1x87 h ARG 512 Ca 0.21 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1x87 h ARG 512 Cb 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1x87 h ARG 512 CO -0.03 1.06 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.84 1x87 h LEU 513 N 0.92 -0.06 -0.55 3.04 3.38 -0.79 -1.23 115.31 120.01 1x87 h LEU 513 Ca 0.15 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1x87 h LEU 513 Cb 0.65 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1x87 h LEU 513 CO 0.04 -0.04 0.03 -0.08 0.09 0.00 0.00 178.44 178.48 1x87 h GLU 514 N -0.07 0.15 0.29 1.13 4.22 -1.30 -1.20 114.58 117.80 1x87 h GLU 514 Ca -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 1x87 h GLU 514 Cb 0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x87 h GLU 514 CO 0.01 0.10 -0.14 0.00 -2.18 0.00 0.00 179.01 176.80 1x87 h ARG 515 N 0.15 -0.37 -0.12 1.92 3.08 -1.33 -3.19 114.38 114.52 1x87 h ARG 515 Ca 0.29 0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.19 1x87 h ARG 515 Cb 0.44 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1x87 h ARG 515 CO -0.44 -0.04 -0.65 0.28 -1.07 0.00 0.00 179.97 178.04 1x87 h VAL 516 N -0.74 1.35 0.00 2.04 2.07 -1.13 -1.20 116.25 118.64 1x87 h VAL 516 Ca -0.04 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1x87 h VAL 516 Cb 0.50 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1x87 h VAL 516 CO 0.06 0.61 0.00 0.18 0.02 0.00 0.00 177.57 178.44 1x87 n LEU 517 N -3.89 0.36 -0.03 2.57 4.77 -0.46 -2.05 117.00 118.27 1x87 n LEU 517 Ca -0.04 0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 56.28 1x87 n LEU 517 Cb 0.66 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1x87 n LEU 517 CO 0.47 -0.16 -0.44 0.74 -1.33 0.00 0.00 177.39 176.68 1x87 h THR 518 N 0.00 1.01 -0.01 -5.08 2.02 -1.46 -3.38 112.91 106.00 1x87 h THR 518 Ca 0.00 -2.33 -0.18 0.00 0.77 0.00 0.00 66.41 64.67 1x87 h THR 518 Cb 0.54 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1x87 h THR 518 CO 0.00 0.62 -0.80 0.71 0.37 0.00 0.00 175.52 176.42 1x87 h THR 519 N -0.49 1.48 0.52 3.16 1.35 -1.13 -2.64 112.91 115.16 1x87 h THR 519 Ca -0.31 -2.49 -0.03 0.00 -0.55 0.00 0.00 66.41 63.04 1x87 h THR 519 Cb 1.62 2.36 0.01 0.00 -1.73 0.00 0.00 68.15 70.41 1x87 h THR 519 CO -0.01 0.72 -0.25 -0.78 -0.25 0.00 0.00 175.52 174.95 1x87 h ASP 520 N 0.10 -0.59 0.54 5.36 -0.00 -1.66 -2.56 116.42 117.62 1x87 h ASP 520 Ca -0.03 -0.06 -0.08 0.00 -0.00 0.00 0.00 57.03 56.86 1x87 h ASP 520 Cb 1.40 0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 40.87 1x87 h ASP 520 CO 0.12 -0.23 -0.39 1.55 -0.00 0.00 0.00 179.24 180.28 1x87 h PRO 521 N -0.99 0.00 -0.47 0.28 0.13 -1.78 -3.23 132.00 125.94 1x87 h PRO 521 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 1x87 h PRO 521 Cb 0.62 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 1x87 h PRO 521 CO 0.12 0.39 0.03 0.78 -0.23 0.00 0.00 178.00 179.09 1x87 h GLY 522 N 1.48 0.82 1.11 1.56 0.00 -1.43 -2.75 103.07 103.87 1x87 h GLY 522 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 1x87 h GLY 522 CO 0.05 0.48 -0.02 -2.00 0.00 0.00 0.00 176.54 175.06 1x87 h LEU 523 N 0.72 1.04 -1.02 3.11 5.85 -1.47 -1.17 115.31 122.37 1x87 h LEU 523 Ca 0.15 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1x87 h LEU 523 Cb 0.40 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1x87 h LEU 523 CO 0.01 1.10 0.48 1.23 -0.34 0.00 0.00 178.44 180.93 1x87 h GLY 524 N 0.98 1.25 0.98 3.75 0.00 -1.60 -1.02 103.07 107.41 1x87 h GLY 524 Ca 0.17 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1x87 h GLY 524 CO 0.03 0.52 0.26 -2.08 0.00 0.00 0.00 176.54 175.27 1x87 h VAL 525 N 1.18 1.15 -0.35 4.60 2.07 -1.18 -2.50 116.25 121.22 1x87 h VAL 525 Ca 0.30 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1x87 h VAL 525 Cb -0.01 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1x87 h VAL 525 CO -0.05 0.15 0.07 0.40 0.02 0.00 0.00 177.57 178.16 1x87 h ILE 526 N 0.58 1.23 -0.64 4.57 2.04 -0.97 0.15 117.51 124.47 1x87 h ILE 526 Ca 0.16 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.33 1x87 h ILE 526 Cb 0.02 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1x87 h ILE 526 CO -0.03 0.27 0.25 -0.09 0.00 0.00 0.00 178.15 178.55 1x87 h ARG 527 N 0.42 0.41 -0.11 2.37 2.43 -1.21 -0.54 114.38 118.16 1x87 h ARG 527 Ca 0.11 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 1x87 h ARG 527 Cb 0.32 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1x87 h ARG 527 CO 0.00 0.27 -0.70 0.45 -1.51 0.00 0.00 179.97 178.49 1x87 h HIS 528 N 0.43 0.64 -0.45 2.20 3.86 -0.96 -2.51 115.15 118.36 1x87 h HIS 528 Ca 0.33 -0.27 -0.13 0.00 -1.16 0.00 0.00 60.37 59.14 1x87 h HIS 528 Cb 0.42 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1x87 h HIS 528 CO -0.17 1.03 -0.22 0.00 0.86 0.00 0.00 177.93 179.43 1x87 h ALA 529 N 0.90 0.63 -0.98 2.45 0.00 -0.41 -2.54 119.26 119.32 1x87 h ALA 529 Ca -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1x87 h ALA 529 Cb 1.27 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1x87 h ALA 529 CO 0.13 0.62 0.63 0.22 0.00 0.00 0.00 179.25 180.85 1x87 h ASP 530 N 0.79 1.14 0.27 0.00 3.58 -1.12 -2.51 116.42 118.56 1x87 h ASP 530 Ca 0.10 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1x87 h ASP 530 Cb 0.80 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1x87 h ASP 530 CO 0.07 0.84 0.00 0.00 -2.88 0.00 0.00 179.24 177.26 1x87 n ALA 531 N -2.38 2.29 0.00 -0.78 0.00 -0.95 -4.89 120.51 113.80 1x87 n ALA 531 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1x87 n ALA 531 Cb 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1x87 n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x87 n GLY 532 N 0.64 0.40 3.63 0.00 0.00 -0.94 -5.05 105.19 103.86 1x87 n GLY 532 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1x87 n GLY 532 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x87 s TYR 533 N -2.00 1.58 0.38 1.61 1.51 -0.98 -4.89 117.35 114.56 1x87 s TYR 533 Ca 0.00 0.29 0.05 0.00 -1.01 0.00 0.00 57.07 56.40 1x87 s TYR 533 Cb 0.00 -4.04 0.76 0.00 -0.11 0.00 0.00 41.96 38.57 1x87 s TYR 533 CO 0.00 -3.98 2.04 0.93 -1.11 0.00 0.00 175.55 173.42 1x87 h GLU 534 N 12.19 0.67 -0.81 -0.62 4.39 -1.93 -1.60 114.58 126.87 1x87 h GLU 534 Ca -0.40 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.24 1x87 h GLU 534 Cb 1.20 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1x87 h GLU 534 CO 0.97 0.44 0.41 1.25 -1.16 0.00 0.00 179.01 180.93 1x87 h LEU 535 N 0.69 1.03 -0.25 1.33 6.46 -1.94 -0.33 115.31 122.30 1x87 h LEU 535 Ca 0.19 -0.12 -0.17 0.00 -0.12 0.00 0.00 57.88 57.66 1x87 h LEU 535 Cb -0.06 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.61 1x87 h LEU 535 CO -0.04 0.86 -0.51 0.00 -0.62 0.00 0.00 178.44 178.12 1x87 h ALA 536 N 1.22 0.40 -0.22 1.25 0.00 -1.52 -1.36 119.26 119.03 1x87 h ALA 536 Ca 0.28 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1x87 h ALA 536 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1x87 h ALA 536 CO -0.04 0.59 0.08 0.82 0.00 0.00 0.00 179.25 180.70 1x87 h ILE 537 N 0.55 0.95 -0.44 0.00 2.04 -1.15 0.20 117.51 119.65 1x87 h ILE 537 Ca 0.01 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1x87 h ILE 537 Cb 1.12 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1x87 h ILE 537 CO 0.11 0.03 0.12 -0.09 0.00 0.00 0.00 178.15 178.33 1x87 h ARG 538 N 0.18 0.26 -0.43 2.37 2.43 -1.01 -1.78 114.38 116.40 1x87 h ARG 538 Ca 0.10 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1x87 h ARG 538 Cb 0.06 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1x87 h ARG 538 CO -0.10 0.17 0.20 1.15 -1.51 0.00 0.00 179.97 179.88 1x87 h THR 539 N 0.27 1.18 -0.55 0.20 2.02 -0.87 -0.37 112.91 114.80 1x87 h THR 539 Ca 0.21 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1x87 h THR 539 Cb 0.24 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1x87 h THR 539 CO -0.25 0.20 0.30 0.00 0.37 0.00 0.00 175.52 176.14 1x87 h ALA 540 N 1.04 0.71 -0.16 6.16 0.00 -0.66 -1.34 119.26 125.00 1x87 h ALA 540 Ca 0.15 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1x87 h ALA 540 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x87 h ALA 540 CO -0.02 -0.03 -0.47 0.87 0.00 0.00 0.00 179.25 179.61 1x87 h LYS 541 N 0.58 0.60 -0.57 0.00 1.57 -1.18 -1.30 116.57 116.26 1x87 h LYS 541 Ca 0.24 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1x87 h LYS 541 Cb 0.11 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1x87 h LYS 541 CO -0.15 1.05 0.12 0.93 -0.57 0.00 0.00 179.45 180.84 1x87 h GLU 542 N 0.26 0.90 -0.09 3.15 5.08 -0.94 -3.05 114.58 119.88 1x87 h GLU 542 Ca -0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1x87 h GLU 542 Cb 1.09 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1x87 h GLU 542 CO 0.10 0.81 0.00 1.63 -1.00 0.00 0.00 179.01 180.55 1x87 n LYS 543 N -4.26 1.79 -2.00 2.33 4.76 -0.52 -4.93 118.16 115.33 1x87 n LYS 543 Ca 0.04 -1.17 -0.12 0.00 -2.87 0.00 0.00 58.31 54.19 1x87 n LYS 543 Cb 0.24 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 1x87 n LYS 543 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x87 n GLY 544 N 1.19 0.25 3.69 0.72 0.00 -0.98 -5.00 105.19 105.06 1x87 n GLY 544 Ca 0.18 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1x87 n GLY 544 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x87 s ILE 545 N -2.58 3.66 0.77 -0.61 1.01 -0.53 -5.03 121.20 117.90 1x87 s ILE 545 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 60.65 61.58 1x87 s ILE 545 Cb 0.00 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.85 1x87 s ILE 545 CO 0.00 -0.00 1.10 -0.62 0.00 0.00 0.00 174.94 175.42 1x87 s ASP 546 N 1.94 4.74 -0.06 3.58 -1.08 -1.26 -4.77 116.67 119.76 1x87 s ASP 546 Ca 0.65 1.24 0.20 0.00 -0.52 0.00 0.00 52.55 54.12 1x87 s ASP 546 Cb -0.32 -1.98 0.40 0.00 -1.46 0.00 0.00 42.92 39.56 1x87 s ASP 546 CO 0.27 -1.80 1.17 -2.65 0.52 0.00 0.00 175.17 172.68 1x87 n PRO 548 N -3.32 0.46 -2.06 4.34 -0.02 -1.26 -5.17 135.00 127.97 1x87 n PRO 548 Ca 0.07 -2.32 0.00 0.00 -2.02 0.00 0.00 63.50 59.23 1x87 n PRO 548 Cb 0.57 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 1x87 n PRO 548 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1x87 n LEU 550 N -0.01 -4.68 0.00 2.45 7.94 -1.26 -5.32 117.00 116.13 1x87 n LEU 550 Ca 0.09 2.65 0.00 0.00 -1.11 0.00 0.00 56.01 57.64 1x87 n LEU 550 Cb 0.99 -2.79 0.00 0.00 0.53 0.00 0.00 43.42 42.15 1x87 n LEU 550 CO -0.04 -1.83 0.00 0.29 -1.11 0.00 0.00 177.39 174.70