#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xii s ILE 36 N 0.00 5.06 0.19 6.31 1.01 -1.26 -5.03 121.20 127.49 2xii s ILE 36 Ca 0.00 1.31 -0.31 0.00 0.00 0.00 0.00 60.65 61.65 2xii s ILE 36 Cb 0.00 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 2xii s ILE 36 CO 0.00 0.22 1.42 -2.84 0.00 0.00 0.00 174.94 173.74 2xii s PRO 37 N 1.08 4.30 -0.01 2.79 0.02 -1.26 -4.91 135.00 137.01 2xii s PRO 37 Ca 0.33 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.58 2xii s PRO 37 Cb -0.17 -3.17 -0.00 0.00 0.02 0.00 0.00 34.50 31.18 2xii s PRO 37 CO 0.15 -0.42 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.81 2xii s LEU 38 N 0.28 1.91 0.13 -5.54 1.43 -1.26 -5.03 118.68 110.60 2xii s LEU 38 Ca 0.62 -0.15 0.18 0.00 -1.03 0.00 0.00 54.13 53.75 2xii s LEU 38 Cb -0.40 -0.43 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 2xii s LEU 38 CO 0.37 0.08 0.97 0.11 0.23 0.00 0.00 176.35 178.11 2xii h LYS 39 N 6.14 0.00 0.00 1.70 1.57 -2.01 -3.40 116.57 120.57 2xii h LYS 39 Ca -0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2xii h LYS 39 Cb 1.18 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 2xii h LYS 39 CO 0.49 0.22 -0.52 0.66 -0.57 0.00 0.00 179.45 179.73 2xii n TYR 40 N -2.87 0.00 -1.05 -1.35 4.01 -1.26 -5.04 117.16 109.60 2xii n TYR 40 Ca -0.05 -1.12 0.00 0.00 -0.16 0.00 0.00 57.90 56.56 2xii n TYR 40 Cb 0.74 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2xii n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2xii n GLY 41 N -0.78 1.04 3.77 2.72 0.00 -1.26 -4.23 105.19 106.46 2xii n GLY 41 Ca 0.15 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 2xii n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xii s ALA 42 N -2.95 2.58 -0.05 4.61 0.00 -1.26 -4.95 121.76 119.73 2xii s ALA 42 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.69 2xii s ALA 42 Cb 0.00 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 2xii s ALA 42 CO 0.00 -1.03 0.04 -2.37 0.00 0.00 0.00 175.76 172.40 2xii n THR 43 N -1.89 0.36 -3.47 0.00 5.66 -1.26 -5.01 114.28 108.67 2xii n THR 43 Ca 0.11 -0.25 -0.37 0.00 -3.05 0.00 0.00 64.05 60.49 2xii n THR 43 Cb 0.51 -0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 68.61 2xii n THR 43 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2xii s ASN 44 N -3.61 6.81 -0.49 1.09 0.01 -1.26 -5.06 114.94 112.43 2xii s ASN 44 Ca -0.03 0.98 -0.12 0.00 -0.71 0.00 0.00 52.86 52.98 2xii s ASN 44 Cb 0.02 -2.25 0.11 0.00 0.41 0.00 0.00 41.25 39.54 2xii s ASN 44 CO 0.26 0.26 0.39 -0.70 -1.51 0.00 0.00 177.10 175.80 2xii s GLU 45 N -1.37 2.69 1.39 -0.60 2.12 -1.26 -4.89 118.70 116.79 2xii s GLU 45 Ca 0.28 -1.67 0.00 0.00 0.36 0.00 0.00 54.97 53.94 2xii s GLU 45 Cb -0.16 -4.04 0.00 0.00 0.26 0.00 0.00 34.13 30.19 2xii s GLU 45 CO 0.16 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.10 2xii n GLY 46 N 5.04 -1.68 3.76 -1.50 0.00 -1.26 -4.84 105.19 104.71 2xii n GLY 46 Ca -0.10 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 2xii n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xii s LYS 47 N 0.00 4.59 0.23 1.61 1.02 -1.26 -4.99 119.74 120.93 2xii s LYS 47 Ca 0.00 1.86 -0.31 0.00 0.02 0.00 0.00 55.97 57.54 2xii s LYS 47 Cb 0.00 -3.16 -0.11 0.00 -0.52 0.00 0.00 37.83 34.05 2xii s LYS 47 CO 0.00 0.14 1.58 1.03 -0.92 0.00 0.00 175.35 177.18 2xii s ARG 48 N -1.52 4.18 -0.01 1.68 0.52 -1.26 -4.93 118.95 117.60 2xii s ARG 48 Ca 0.45 2.46 0.02 0.00 -0.52 0.00 0.00 55.73 58.14 2xii s ARG 48 Cb -0.33 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.08 2xii s ARG 48 CO 0.43 -0.60 0.97 1.04 0.02 0.00 0.00 175.30 177.15 2xii n GLN 49 N 3.08 2.57 -1.19 3.54 1.13 -1.26 -4.61 117.38 120.63 2xii n GLN 49 Ca 0.11 -1.50 -0.34 0.00 -1.94 0.00 0.00 57.00 53.33 2xii n GLN 49 Cb 0.38 -0.99 0.12 0.00 0.11 0.00 0.00 30.24 29.85 2xii n GLN 49 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2xii s ASP 50 N -1.07 3.73 0.39 1.08 -4.77 -1.26 -4.72 116.67 110.04 2xii s ASP 50 Ca 0.03 2.38 0.12 0.00 -3.30 0.00 0.00 52.55 51.77 2xii s ASP 50 Cb 0.02 -2.59 0.91 0.00 -1.09 0.00 0.00 42.92 40.18 2xii s ASP 50 CO 0.00 -2.58 1.90 -0.65 0.70 0.00 0.00 175.17 174.55 2xii h PRO 51 N -0.74 0.56 -0.51 2.11 0.11 -1.99 -1.85 132.00 129.69 2xii h PRO 51 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2xii h PRO 51 Cb 1.30 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2xii h PRO 51 CO 0.47 0.37 -0.12 0.00 -0.21 0.00 0.00 178.00 178.51 2xii h ALA 52 N 1.62 0.71 -0.59 -0.75 0.00 -1.91 -1.85 119.26 116.49 2xii h ALA 52 Ca 0.39 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2xii h ALA 52 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2xii h ALA 52 CO -0.15 0.62 -0.03 1.98 0.00 0.00 0.00 179.25 181.67 2xii h MET 53 N 0.85 1.06 -0.83 0.00 -1.53 -1.63 -2.01 114.93 110.84 2xii h MET 53 Ca 0.13 -0.35 -0.00 0.00 -3.44 0.00 0.00 59.70 56.04 2xii h MET 53 Cb 0.68 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.60 2xii h MET 53 CO 0.05 1.05 0.52 1.96 0.14 0.00 0.00 176.91 180.63 2xii h GLN 54 N 0.96 1.12 -0.17 0.39 4.20 -1.20 -1.00 115.11 119.42 2xii h GLN 54 Ca 0.16 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2xii h GLN 54 Cb 0.59 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2xii h GLN 54 CO 0.04 0.77 0.05 -0.22 -0.67 0.00 0.00 178.83 178.79 2xii h LYS 55 N 1.14 0.27 -0.60 1.46 1.63 -1.21 0.48 116.57 119.75 2xii h LYS 55 Ca 0.30 -0.06 0.09 0.00 -0.85 0.00 0.00 60.65 60.14 2xii h LYS 55 Cb -0.08 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.44 2xii h LYS 55 CO -0.06 0.39 0.22 0.35 -3.45 0.00 0.00 179.45 176.90 2xii h PHE 56 N 0.09 0.37 -0.03 1.91 3.57 -1.01 -0.90 116.94 120.94 2xii h PHE 56 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2xii h PHE 56 Cb 0.24 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2xii h PHE 56 CO 0.00 0.09 -0.09 -0.09 -2.23 0.00 0.00 178.31 175.99 2xii h ARG 57 N 0.39 0.11 0.00 1.11 2.43 -1.02 -3.27 114.38 114.14 2xii h ARG 57 Ca 0.30 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2xii h ARG 57 Cb 0.38 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2xii h ARG 57 CO -0.31 0.71 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.34 2xii h ASP 58 N -0.46 0.00 -0.69 -3.80 3.32 0.23 -2.51 116.42 112.51 2xii h ASP 58 Ca -0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.12 2xii h ASP 58 Cb 0.72 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 2xii h ASP 58 CO 0.02 0.08 0.36 0.78 -1.72 0.00 0.00 179.24 178.76 2xii h ASN 59 N 0.00 0.51 0.00 6.45 2.35 -1.21 0.09 115.58 123.77 2xii h ASN 59 Ca -0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2xii h ASN 59 Cb 0.17 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2xii h ASN 59 CO 0.01 0.31 0.00 0.54 -1.65 0.00 0.00 177.43 176.64 2xii n ARG 60 N -4.82 0.00 -4.00 0.81 5.12 -0.95 -4.57 116.66 108.24 2xii n ARG 60 Ca 0.10 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.67 2xii n ARG 60 Cb 0.22 -0.08 -0.13 0.00 -1.16 0.00 0.00 32.46 31.31 2xii n ARG 60 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2xii s LEU 61 N 0.00 3.13 0.31 0.55 2.96 -1.26 -1.16 118.68 123.22 2xii s LEU 61 Ca 0.00 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2xii s LEU 61 Cb 0.00 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.83 2xii s LEU 61 CO 0.00 0.03 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.15 2xii s GLY 62 N 1.23 2.01 0.08 7.98 0.00 -0.34 -0.96 107.32 117.32 2xii s GLY 62 Ca 0.03 -2.00 0.06 0.00 0.00 0.00 0.00 44.72 42.81 2xii s GLY 62 CO 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 173.10 171.10 2xii s ALA 63 N -2.83 3.05 -0.11 3.20 0.00 -0.54 -1.40 121.76 123.12 2xii s ALA 63 Ca 0.31 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2xii s ALA 63 Cb 0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2xii s ALA 63 CO 0.14 0.65 -0.06 0.12 0.00 0.00 0.00 175.76 176.61 2xii s PHE 64 N -1.18 2.97 -0.24 0.00 5.99 0.08 -0.37 117.98 125.22 2xii s PHE 64 Ca 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 56.93 57.00 2xii s PHE 64 Cb -0.11 -1.82 0.04 0.00 0.00 0.00 0.00 43.02 41.13 2xii s PHE 64 CO 0.13 0.15 -0.11 0.42 -0.00 0.00 0.00 175.22 175.81 2xii s ILE 65 N -0.26 2.38 -0.44 3.12 -1.09 0.36 -0.04 121.20 125.22 2xii s ILE 65 Ca 0.04 -1.30 -0.11 0.00 -2.23 0.00 0.00 60.65 57.05 2xii s ILE 65 Cb -0.13 -2.25 0.08 0.00 -1.58 0.00 0.00 42.46 38.58 2xii s ILE 65 CO 0.02 0.16 0.30 -1.00 -1.23 0.00 0.00 174.94 173.20 2xii s HIS 66 N 1.21 3.31 -0.05 3.97 3.76 -0.68 -1.23 115.29 125.59 2xii s HIS 66 Ca -0.03 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.51 2xii s HIS 66 Cb -0.17 -3.05 0.02 0.00 1.11 0.00 0.00 32.58 30.49 2xii s HIS 66 CO -0.07 -0.84 -0.03 -0.46 -0.85 0.00 0.00 174.74 172.49 2xii s TRP 67 N 1.48 0.73 0.10 1.40 -0.00 -1.26 -3.87 118.94 117.53 2xii s TRP 67 Ca 0.03 -0.21 -0.14 0.00 -0.00 0.00 0.00 56.10 55.79 2xii s TRP 67 Cb -0.24 -0.70 0.05 0.00 -0.00 0.00 0.00 33.47 32.58 2xii s TRP 67 CO 0.03 -0.23 0.64 0.41 -0.00 0.00 0.00 176.95 177.81 2xii n GLY 68 N 4.34 0.83 0.26 5.86 0.00 -1.26 -4.86 105.19 110.36 2xii n GLY 68 Ca -0.20 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2xii n GLY 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2xii h LEU 69 N 0.00 0.20 -1.84 0.99 3.38 -1.97 -1.15 115.31 114.92 2xii h LEU 69 Ca -0.16 -0.02 0.21 0.00 0.09 0.00 0.00 57.88 57.99 2xii h LEU 69 Cb 0.73 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2xii h LEU 69 CO 0.22 0.27 0.67 0.10 0.09 0.00 0.00 178.44 179.79 2xii h TYR 70 N 0.21 0.00 0.00 1.13 -0.00 -1.93 -0.99 116.97 115.40 2xii h TYR 70 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.78 2xii h TYR 70 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.93 2xii h TYR 70 CO 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 178.16 178.15 2xii h ALA 71 N 1.33 1.05 0.18 0.10 0.00 -1.46 -1.63 119.26 118.84 2xii h ALA 71 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2xii h ALA 71 Cb 1.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2xii h ALA 71 CO -0.00 0.02 -0.09 0.82 0.00 0.00 0.00 179.25 180.00 2xii h ILE 72 N 0.00 0.46 0.00 0.00 2.04 -1.38 -3.30 117.51 115.34 2xii h ILE 72 Ca -0.00 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 2xii h ILE 72 Cb 0.21 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2xii h ILE 72 CO 0.00 0.13 -0.17 1.55 0.00 0.00 0.00 178.15 179.66 2xii h PRO 73 N -0.99 0.00 -4.96 2.37 0.13 -1.71 -3.47 132.00 123.36 2xii h PRO 73 Ca -0.03 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.72 2xii h PRO 73 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2xii h PRO 73 CO 0.04 0.17 -0.57 0.41 -0.23 0.00 0.00 178.00 177.82 2xii n GLY 74 N 0.32 -0.50 0.28 1.56 0.00 -0.61 -1.98 105.19 104.26 2xii n GLY 74 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2xii n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xii n GLY 75 N -1.32 0.62 3.28 -0.02 0.00 -1.26 0.17 105.19 106.65 2xii n GLY 75 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2xii n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xii s GLU 76 N -0.90 2.96 -0.03 1.61 2.12 -0.84 -1.09 118.70 122.53 2xii s GLU 76 Ca 0.00 -0.84 -0.00 0.00 0.36 0.00 0.00 54.97 54.49 2xii s GLU 76 Cb 0.00 -2.34 0.03 0.00 0.26 0.00 0.00 34.13 32.08 2xii s GLU 76 CO 0.00 0.26 0.02 -0.46 -0.54 0.00 0.00 175.26 174.54 2xii s TRP 77 N 0.16 0.23 -1.41 5.30 -0.11 -0.19 -4.72 118.94 118.20 2xii s TRP 77 Ca -0.12 0.07 -0.05 0.00 1.22 0.00 0.00 56.10 57.21 2xii s TRP 77 Cb -0.16 -0.42 0.03 0.00 -1.50 0.00 0.00 33.47 31.43 2xii s TRP 77 CO 0.07 -0.15 0.77 0.09 -4.62 0.00 0.00 176.95 173.10 2xii n ASN 78 N 4.46 -2.36 0.00 5.86 5.03 -1.26 -2.25 115.26 124.74 2xii n ASN 78 Ca -0.21 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.41 2xii n ASN 78 Cb 0.50 -3.85 0.00 0.00 -1.02 0.00 0.00 39.78 35.42 2xii n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2xii n GLY 79 N -1.66 0.69 3.22 7.41 0.00 -1.26 -5.03 105.19 108.56 2xii n GLY 79 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2xii n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xii s LYS 80 N -0.02 2.70 -0.13 1.61 2.20 -0.96 -5.11 119.74 120.03 2xii s LYS 80 Ca 0.00 -0.85 -0.15 0.00 -0.36 0.00 0.00 55.97 54.62 2xii s LYS 80 Cb 0.00 -2.15 -0.05 0.00 -1.51 0.00 0.00 37.83 34.13 2xii s LYS 80 CO 0.00 0.25 0.34 0.08 -0.36 0.00 0.00 175.35 175.67 2xii s VAL 81 N 0.15 5.26 -0.09 4.02 1.01 -1.26 -1.02 120.40 128.46 2xii s VAL 81 Ca -0.12 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 2xii s VAL 81 Cb -0.16 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2xii s VAL 81 CO 0.06 0.40 -0.01 -0.31 0.00 0.00 0.00 175.10 175.24 2xii s TYR 82 N 0.32 3.13 -0.23 5.22 2.02 -0.25 -5.00 117.35 122.55 2xii s TYR 82 Ca 0.19 0.13 0.18 0.00 -0.37 0.00 0.00 57.07 57.21 2xii s TYR 82 Cb -0.14 -1.80 0.21 0.00 -0.40 0.00 0.00 41.96 39.83 2xii s TYR 82 CO 0.06 0.40 1.52 0.78 -1.57 0.00 0.00 175.55 176.75 2xii h GLY 83 N 5.35 0.00 -1.32 0.71 0.00 -1.98 -3.46 103.07 102.37 2xii h GLY 83 Ca -0.48 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.37 2xii h GLY 83 CO 0.55 0.00 -0.17 0.61 0.00 0.00 0.00 176.54 177.54 2xii n GLY 84 N 1.11 -1.60 3.65 4.60 0.00 -1.26 -4.90 105.19 106.80 2xii n GLY 84 Ca 0.02 -0.93 -0.46 0.00 0.00 0.00 0.00 46.02 44.65 2xii n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xii n ALA 85 N -4.53 0.84 -0.08 4.61 0.00 -1.25 -4.84 120.51 115.26 2xii n ALA 85 Ca 0.06 0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.97 2xii n ALA 85 Cb 0.54 -2.26 0.37 0.00 0.00 0.00 0.00 19.45 18.10 2xii n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xii h ALA 86 N 4.78 1.65 0.00 0.00 0.00 -1.84 -1.76 119.26 122.09 2xii h ALA 86 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2xii h ALA 86 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2xii h ALA 86 CO 0.80 0.31 0.00 -0.85 0.00 0.00 0.00 179.25 179.52 2xii n GLU 87 N -4.46 0.10 -0.41 0.00 0.00 -1.26 -1.63 120.64 112.98 2xii n GLU 87 Ca 0.05 0.14 0.09 0.00 0.00 0.00 0.00 57.16 57.45 2xii n GLU 87 Cb 0.08 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.30 2xii n GLU 87 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 2xii n TRP 88 N -1.42 1.02 -0.27 -1.84 7.02 -0.66 -4.68 117.44 116.60 2xii n TRP 88 Ca 0.06 -0.57 0.08 0.00 -1.02 0.00 0.00 57.50 56.05 2xii n TRP 88 Cb 0.20 -0.12 0.32 0.00 -2.42 0.00 0.00 31.31 29.29 2xii n TRP 88 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2xii h LEU 89 N 3.43 0.76 -0.93 -0.99 5.85 -1.37 0.77 115.31 122.82 2xii h LEU 89 Ca 0.00 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.90 2xii h LEU 89 Cb 1.12 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 2xii h LEU 89 CO 0.10 0.44 0.54 0.50 -0.34 0.00 0.00 178.44 179.68 2xii h LYS 90 N 0.84 0.73 -0.00 1.25 3.64 -1.84 0.24 116.57 121.42 2xii h LYS 90 Ca 0.40 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2xii h LYS 90 Cb 0.44 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2xii h LYS 90 CO -0.17 0.48 -0.01 1.03 -2.27 0.00 0.00 179.45 178.51 2xii h SER 91 N 0.75 0.02 -0.55 4.20 0.87 -1.21 -0.26 113.55 117.37 2xii h SER 91 Ca 0.51 -0.60 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2xii h SER 91 Cb 0.70 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 2xii h SER 91 CO -0.35 0.62 0.35 -0.50 -0.53 0.00 0.00 176.83 176.41 2xii h TRP 92 N -0.58 0.65 -0.44 2.24 -0.00 -0.59 -2.27 115.95 114.98 2xii h TRP 92 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 2xii h TRP 92 Cb 0.61 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.56 2xii h TRP 92 CO 0.13 0.39 0.00 0.00 -0.00 0.00 0.00 178.44 178.97 2xii n ALA 93 N -2.27 2.44 -3.94 1.49 0.00 0.78 -4.95 120.51 114.06 2xii n ALA 93 Ca 0.04 -0.82 -0.26 0.00 0.00 0.00 0.00 53.44 52.40 2xii n ALA 93 Cb 0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 2xii n ALA 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2xii n LYS 94 N 0.89 -2.98 -3.11 0.00 5.02 -0.86 -4.93 118.16 112.19 2xii n LYS 94 Ca 0.16 0.39 -0.40 0.00 -2.02 0.00 0.00 58.31 56.45 2xii n LYS 94 Cb 0.41 -4.42 -0.06 0.00 -0.02 0.00 0.00 35.03 30.94 2xii n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2xii s VAL 95 N -3.92 5.02 0.54 -0.18 1.01 -0.16 -5.04 120.40 117.67 2xii s VAL 95 Ca 0.06 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 63.04 2xii s VAL 95 Cb -0.02 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2xii s VAL 95 CO 0.89 0.13 1.20 -2.65 0.00 0.00 0.00 175.10 174.67 2xii n PRO 96 N 4.90 1.44 -0.23 2.72 -0.02 -1.26 -4.76 135.00 137.79 2xii n PRO 96 Ca -0.01 0.53 0.04 0.00 -2.02 0.00 0.00 63.50 62.04 2xii n PRO 96 Cb 0.50 -2.38 0.15 0.00 -0.02 0.00 0.00 33.50 31.75 2xii n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xii h ALA 97 N 1.23 0.80 -0.29 3.55 0.00 -1.97 0.77 119.26 123.35 2xii h ALA 97 Ca -0.49 0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2xii h ALA 97 Cb 1.32 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2xii h ALA 97 CO 0.55 -0.37 0.12 0.38 0.00 0.00 0.00 179.25 179.93 2xii h ASP 98 N 0.19 0.16 -0.42 0.00 3.04 -1.95 0.34 116.42 117.78 2xii h ASP 98 Ca 0.38 0.02 -0.11 0.00 -3.24 0.00 0.00 57.03 54.08 2xii h ASP 98 Cb 0.64 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.92 2xii h ASP 98 CO -0.54 0.13 -0.18 -0.08 -2.04 0.00 0.00 179.24 176.53 2xii h GLU 99 N 0.26 0.86 -0.11 4.15 4.81 -1.72 -2.44 114.58 120.39 2xii h GLU 99 Ca 0.12 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2xii h GLU 99 Cb 0.07 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2xii h GLU 99 CO -0.11 1.01 0.06 2.35 -0.73 0.00 0.00 179.01 181.59 2xii h TRP 100 N 0.68 0.14 0.00 0.92 2.91 -0.61 -3.04 115.95 116.96 2xii h TRP 100 Ca 0.10 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2xii h TRP 100 Cb 0.73 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 2xii h TRP 100 CO 0.05 0.17 0.00 -0.07 -1.03 0.00 0.00 178.44 177.56 2xii h LEU 101 N 0.08 0.00 -1.25 0.65 3.38 -0.87 -1.52 115.31 115.79 2xii h LEU 101 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2xii h LEU 101 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2xii h LEU 101 CO -0.01 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.69 2xii n LYS 102 N -2.88 0.14 0.29 1.13 4.81 -0.93 -1.15 118.16 119.58 2xii n LYS 102 Ca 0.01 0.59 0.19 0.00 -0.87 0.00 0.00 58.31 58.23 2xii n LYS 102 Cb 0.27 -1.92 0.99 0.00 0.02 0.00 0.00 35.03 34.39 2xii n LYS 102 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2xii h LEU 103 N 0.00 0.00 -1.36 3.14 3.38 -1.42 -1.13 115.31 117.92 2xii h LEU 103 Ca 0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2xii h LEU 103 Cb 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 2xii h LEU 103 CO 0.00 0.00 0.66 0.24 0.09 0.00 0.00 178.44 179.43 2xii h MET 104 N 0.00 0.40 0.00 1.13 2.86 -1.37 0.01 114.93 117.97 2xii h MET 104 Ca 0.02 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2xii h MET 104 Cb 0.24 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2xii h MET 104 CO -0.00 0.26 -0.01 -0.44 1.06 0.00 0.00 176.91 177.79 2xii h ASP 105 N 0.41 0.00 -0.02 1.22 3.32 -1.44 -2.38 116.42 117.53 2xii h ASP 105 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 2xii h ASP 105 Cb 1.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2xii h ASP 105 CO -0.29 0.01 -0.11 0.00 -1.72 0.00 0.00 179.24 177.13 2xii n GLN 106 N -3.14 1.93 -2.41 3.56 6.02 -0.03 -4.66 117.38 118.65 2xii n GLN 106 Ca -0.02 -1.63 -0.40 0.00 -0.01 0.00 0.00 57.00 54.94 2xii n GLN 106 Cb 0.14 -1.43 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 2xii n GLN 106 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2xii s TRP 107 N -1.98 2.12 -0.43 1.08 -0.11 -0.90 -4.84 118.94 113.87 2xii s TRP 107 Ca 0.24 0.19 0.07 0.00 1.22 0.00 0.00 56.10 57.83 2xii s TRP 107 Cb 0.18 -4.48 0.26 0.00 -1.50 0.00 0.00 33.47 27.93 2xii s TRP 107 CO 0.34 -2.14 0.72 -1.71 -4.62 0.00 0.00 176.95 169.54 2xii n ASN 108 N 10.29 -1.21 -4.42 5.86 5.15 -1.26 -3.14 115.26 126.52 2xii n ASN 108 Ca 0.08 -3.02 -0.36 0.00 -0.60 0.00 0.00 54.58 50.68 2xii n ASN 108 Cb 0.50 0.54 -0.04 0.00 -0.53 0.00 0.00 39.78 40.25 2xii n ASN 108 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2xii n PRO 109 N 1.39 2.20 0.21 1.20 -0.04 -1.25 -4.77 135.00 133.94 2xii n PRO 109 Ca 0.15 -2.68 0.15 0.00 -0.04 0.00 0.00 63.50 61.08 2xii n PRO 109 Cb 0.59 -3.54 0.57 0.00 -0.04 0.00 0.00 33.50 31.08 2xii n PRO 109 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2xii h THR 110 N 5.65 0.00 -0.01 0.52 1.03 -1.80 -1.58 112.91 116.71 2xii h THR 110 Ca 0.34 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 2xii h THR 110 Cb 0.87 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 2xii h THR 110 CO 1.42 0.00 -0.05 0.29 -0.01 0.00 0.00 175.52 177.17 2xii n LYS 111 N -2.72 1.54 -1.87 0.00 4.76 0.15 -4.94 118.16 115.08 2xii n LYS 111 Ca 0.02 -0.92 -0.42 0.00 -2.87 0.00 0.00 58.31 54.11 2xii n LYS 111 Cb 0.29 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 2xii n LYS 111 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2xii s PHE 112 N -2.10 2.99 -0.26 2.13 5.36 -0.60 -4.55 117.98 120.95 2xii s PHE 112 Ca 0.35 0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 56.89 2xii s PHE 112 Cb 0.21 -3.99 0.12 0.00 -0.34 0.00 0.00 43.02 39.01 2xii s PHE 112 CO 0.37 -3.64 0.26 0.34 -1.46 0.00 0.00 175.22 171.09 2xii s ASP 113 N 1.04 1.72 0.33 6.13 -1.08 -1.26 -5.04 116.67 118.50 2xii s ASP 113 Ca 0.70 -0.62 0.05 0.00 -0.52 0.00 0.00 52.55 52.15 2xii s ASP 113 Cb -0.46 0.42 0.67 0.00 -1.46 0.00 0.00 42.92 42.09 2xii s ASP 113 CO 0.34 -0.37 1.89 0.00 0.52 0.00 0.00 175.17 177.55 2xii h ALA 114 N 8.29 1.66 -0.87 3.66 0.00 -1.94 0.16 119.26 130.22 2xii h ALA 114 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2xii h ALA 114 Cb 1.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2xii h ALA 114 CO 0.33 0.16 0.55 0.87 0.00 0.00 0.00 179.25 181.16 2xii h LYS 115 N 0.86 1.16 -0.38 0.00 1.57 -1.92 0.66 116.57 118.53 2xii h LYS 115 Ca 0.41 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 2xii h LYS 115 Cb 0.43 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2xii h LYS 115 CO -0.18 0.79 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.23 2xii h LYS 116 N 1.18 0.69 -0.42 3.15 3.64 -1.15 0.07 116.57 123.74 2xii h LYS 116 Ca 0.31 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2xii h LYS 116 Cb -0.10 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2xii h LYS 116 CO -0.06 0.81 0.27 -1.49 -2.27 0.00 0.00 179.45 176.71 2xii h TRP 117 N 0.50 0.54 -0.54 1.91 4.06 -0.95 -0.62 115.95 120.86 2xii h TRP 117 Ca 0.10 0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 2xii h TRP 117 Cb 0.53 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 2xii h TRP 117 CO 0.04 0.35 0.02 0.00 -3.56 0.00 0.00 178.44 175.29 2xii h ALA 118 N 1.14 1.02 -0.40 1.49 0.00 -0.76 -1.53 119.26 120.22 2xii h ALA 118 Ca 0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2xii h ALA 118 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2xii h ALA 118 CO -0.03 0.61 -0.02 -0.22 0.00 0.00 0.00 179.25 179.59 2xii h LYS 119 N 0.84 0.66 -0.36 0.00 3.64 -0.73 -0.80 116.57 119.81 2xii h LYS 119 Ca 0.16 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2xii h LYS 119 Cb 0.47 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2xii h LYS 119 CO 0.02 0.69 -0.08 1.98 -2.27 0.00 0.00 179.45 179.79 2xii h MET 120 N 0.62 0.69 -0.07 1.90 4.05 -0.68 -0.05 114.93 121.38 2xii h MET 120 Ca 0.12 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 2xii h MET 120 Cb 0.41 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2xii h MET 120 CO 0.02 0.84 0.04 0.00 0.23 0.00 0.00 176.91 178.03 2xii h ALA 121 N 0.83 0.09 -0.67 0.39 0.00 -1.20 -0.98 119.26 117.72 2xii h ALA 121 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2xii h ALA 121 Cb 0.58 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2xii h ALA 121 CO 0.03 -0.37 0.40 -0.22 0.00 0.00 0.00 179.25 179.09 2xii h LYS 122 N 0.03 0.75 0.00 0.00 3.64 -0.90 -2.17 116.57 117.92 2xii h LYS 122 Ca 0.02 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2xii h LYS 122 Cb 0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2xii h LYS 122 CO -0.00 0.50 -0.50 0.93 -2.27 0.00 0.00 179.45 178.11 2xii h GLU 123 N 0.77 0.00 0.00 1.90 5.08 -0.90 -2.40 114.58 119.03 2xii h GLU 123 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2xii h GLU 123 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2xii h GLU 123 CO -0.13 0.50 -0.06 1.98 -1.00 0.00 0.00 179.01 180.30 2xii h MET 124 N 0.00 0.00 0.00 2.33 4.05 -0.54 -3.38 114.93 117.38 2xii h MET 124 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2xii h MET 124 Cb 0.90 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 2xii h MET 124 CO 0.06 0.06 0.00 0.41 0.23 0.00 0.00 176.91 177.67 2xii n GLY 125 N -0.27 0.78 3.74 1.39 0.00 -0.90 -2.95 105.19 106.99 2xii n GLY 125 Ca -0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2xii n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2xii s THR 126 N -2.00 3.75 -1.19 2.61 -4.23 -1.04 -4.88 115.64 108.66 2xii s THR 126 Ca 0.00 1.57 0.21 0.00 -1.18 0.00 0.00 61.69 62.30 2xii s THR 126 Cb 0.00 -4.00 -0.19 0.00 1.34 0.00 0.00 72.50 69.65 2xii s THR 126 CO 0.00 0.30 0.93 0.29 -0.54 0.00 0.00 174.62 175.60 2xii n LYS 127 N 2.07 0.24 -3.57 3.99 4.76 -0.13 -4.63 118.16 120.88 2xii n LYS 127 Ca 0.02 -0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.15 2xii n LYS 127 Cb 0.46 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.11 2xii n LYS 127 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2xii s TYR 128 N -2.90 -0.34 -0.03 2.13 -0.85 -1.23 -1.97 117.35 112.15 2xii s TYR 128 Ca 0.10 0.17 0.02 0.00 -0.52 0.00 0.00 57.07 56.83 2xii s TYR 128 Cb 0.16 0.35 0.01 0.00 0.38 0.00 0.00 41.96 42.86 2xii s TYR 128 CO 0.81 -0.71 -0.08 0.08 -1.52 0.00 0.00 175.55 174.13 2xii s VAL 129 N -3.35 0.72 -0.24 -3.49 1.01 -0.29 -1.47 120.40 113.29 2xii s VAL 129 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2xii s VAL 129 Cb 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2xii s VAL 129 CO -0.09 0.24 0.07 -0.54 0.00 0.00 0.00 175.10 174.79 2xii s LYS 130 N 0.46 3.71 -0.12 2.72 1.02 0.50 -0.33 119.74 127.69 2xii s LYS 130 Ca -0.07 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 55.47 2xii s LYS 130 Cb -0.11 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2xii s LYS 130 CO 0.01 -0.13 -0.14 0.42 -0.92 0.00 0.00 175.35 174.58 2xii s ILE 131 N 1.46 2.93 -0.52 2.17 1.01 -0.54 -0.49 121.20 127.22 2xii s ILE 131 Ca 0.06 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 2xii s ILE 131 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2xii s ILE 131 CO 0.04 0.53 2.10 0.42 0.00 0.00 0.00 174.94 178.03 2xii s THR 132 N 0.28 3.20 0.15 2.92 -4.23 -0.36 -0.88 115.64 116.71 2xii s THR 132 Ca -0.11 0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.44 2xii s THR 132 Cb -0.16 -3.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 2xii s THR 132 CO 0.06 -0.46 1.47 0.71 -0.54 0.00 0.00 174.62 175.86 2xii h THR 133 N 7.23 1.28 -2.44 3.99 1.35 -1.73 -3.44 112.91 119.15 2xii h THR 133 Ca -0.26 -1.61 -0.07 0.00 -0.55 0.00 0.00 66.41 63.92 2xii h THR 133 Cb 1.21 1.46 -0.26 0.00 -1.73 0.00 0.00 68.15 68.83 2xii h THR 133 CO 1.17 0.53 -0.29 -0.75 -0.25 0.00 0.00 175.52 175.93 2xii s LYS 134 N -4.31 0.40 0.10 4.72 2.20 -1.26 -0.71 119.74 120.89 2xii s LYS 134 Ca -0.10 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 2xii s LYS 134 Cb 0.11 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.75 2xii s LYS 134 CO 0.88 -0.21 0.13 1.58 -0.36 0.00 0.00 175.35 177.37 2xii n HIS 135 N 5.03 -3.30 -0.29 4.03 -0.00 -1.26 -1.80 115.22 117.64 2xii n HIS 135 Ca -0.14 -0.24 0.11 0.00 -0.00 0.00 0.00 57.72 57.45 2xii n HIS 135 Cb 0.52 -0.10 0.35 0.00 -0.00 0.00 0.00 29.99 30.76 2xii n HIS 135 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2xii h HIS 136 N -0.39 0.90 -0.59 1.57 -0.00 -1.90 -0.88 115.15 113.86 2xii h HIS 136 Ca -0.04 0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.49 2xii h HIS 136 Cb 0.17 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 2xii h HIS 136 CO 0.00 0.33 0.41 1.05 -0.00 0.00 0.00 177.93 179.71 2xii h GLU 137 N 0.76 0.19 0.00 2.45 4.11 -1.87 0.50 114.58 120.71 2xii h GLU 137 Ca 0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.88 2xii h GLU 137 Cb 0.69 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2xii h GLU 137 CO -0.23 0.13 0.00 0.41 0.07 0.00 0.00 179.01 179.39 2xii n GLY 138 N -1.58 0.47 3.68 1.06 0.00 -0.34 -3.31 105.19 105.17 2xii n GLY 138 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2xii n GLY 138 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2xii s PHE 139 N -2.17 3.16 -0.12 1.61 5.36 -1.26 -4.88 117.98 119.68 2xii s PHE 139 Ca 0.00 1.23 -0.16 0.00 -0.96 0.00 0.00 56.93 57.04 2xii s PHE 139 Cb 0.00 -3.40 -0.05 0.00 -0.34 0.00 0.00 43.02 39.23 2xii s PHE 139 CO 0.00 -1.22 0.39 0.00 -1.46 0.00 0.00 175.22 172.93 2xii n LEU 141 N 3.32 0.35 -4.32 0.00 4.77 0.11 -1.46 117.00 119.76 2xii n LEU 141 Ca -0.10 -0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 55.53 2xii n LEU 141 Cb 0.52 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 2xii n LEU 141 CO 0.41 0.07 -0.47 -1.66 -1.33 0.00 0.00 177.39 174.40 2xii s TRP 142 N -1.97 1.76 -1.30 -1.77 -2.14 -1.26 -1.43 118.94 110.83 2xii s TRP 142 Ca 0.34 -0.49 -0.17 0.00 2.66 0.00 0.00 56.10 58.44 2xii s TRP 142 Cb 0.16 -0.88 0.03 0.00 -3.10 0.00 0.00 33.47 29.68 2xii s TRP 142 CO 0.27 0.31 1.95 -0.35 -2.66 0.00 0.00 176.95 176.47 2xii n PRO 143 N 0.26 2.78 -1.90 3.25 -0.04 -1.26 -4.36 135.00 133.73 2xii n PRO 143 Ca -0.13 -2.84 -0.39 0.00 -0.04 0.00 0.00 63.50 60.10 2xii n PRO 143 Cb 0.57 -3.40 0.02 0.00 -0.04 0.00 0.00 33.50 30.65 2xii n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2xii s SER 144 N 4.14 5.82 0.21 3.54 0.15 -1.26 -4.92 113.70 121.39 2xii s SER 144 Ca 0.53 2.75 0.26 0.00 0.70 0.00 0.00 55.95 60.19 2xii s SER 144 Cb 0.08 -2.64 0.75 0.00 -1.71 0.00 0.00 66.02 62.50 2xii s SER 144 CO 0.03 -1.19 1.73 1.17 1.20 0.00 0.00 173.24 176.18 2xii n LYS 145 N -0.40 0.28 0.00 5.44 4.81 -1.26 -4.09 118.16 122.94 2xii n LYS 145 Ca 0.07 0.21 0.10 0.00 -0.87 0.00 0.00 58.31 57.82 2xii n LYS 145 Cb 0.44 -1.81 0.05 0.00 0.02 0.00 0.00 35.03 33.73 2xii n LYS 145 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2xii n TYR 146 N -2.28 0.00 -3.64 5.64 4.01 -1.26 -4.96 117.16 114.67 2xii n TYR 146 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.65 2xii n TYR 146 Cb 0.44 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.40 2xii n TYR 146 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2xii s THR 147 N -2.00 0.04 -1.20 -0.72 -1.32 -1.26 -5.03 115.64 104.16 2xii s THR 147 Ca 0.22 -0.34 0.28 0.00 -1.21 0.00 0.00 61.69 60.64 2xii s THR 147 Cb 0.17 -0.89 0.29 0.00 -1.51 0.00 0.00 72.50 70.56 2xii s THR 147 CO 0.37 -0.19 1.85 2.29 -2.21 0.00 0.00 174.62 176.73 2xii n LYS 148 N 0.72 0.21 -2.40 7.08 2.85 -1.26 -4.57 118.16 120.78 2xii n LYS 148 Ca -0.19 -0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 56.60 2xii n LYS 148 Cb 0.59 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 2xii n LYS 148 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2xii n TYR 149 N -1.36 2.97 -4.19 5.58 4.01 -1.26 -4.69 117.16 118.23 2xii n TYR 149 Ca 0.09 -2.80 -0.11 0.00 -0.16 0.00 0.00 57.90 54.92 2xii n TYR 149 Cb 0.31 -1.91 -0.10 0.00 -0.31 0.00 0.00 39.34 37.33 2xii n TYR 149 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2xii s THR 150 N 0.21 0.15 0.48 -0.72 -4.23 -1.26 -1.00 115.64 109.27 2xii s THR 150 Ca 0.39 -1.96 0.31 0.00 -1.18 0.00 0.00 61.69 59.26 2xii s THR 150 Cb 0.09 -2.27 0.51 0.00 1.34 0.00 0.00 72.50 72.17 2xii s THR 150 CO 0.01 -0.25 1.73 -0.37 -0.54 0.00 0.00 174.62 175.20 2xii h VAL 151 N 2.72 0.34 -0.27 2.29 -1.51 -1.45 -1.78 116.25 116.58 2xii h VAL 151 Ca -0.36 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 2xii h VAL 151 Cb 1.22 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 2xii h VAL 151 CO 0.57 0.02 0.13 0.00 -1.23 0.00 0.00 177.57 177.06 2xii h ALA 152 N 1.47 1.72 -1.01 5.19 0.00 -1.85 -2.96 119.26 121.82 2xii h ALA 152 Ca 0.67 -0.06 -0.71 0.00 0.00 0.00 0.00 54.91 54.81 2xii h ALA 152 Cb 2.27 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 19.66 2xii h ALA 152 CO -0.18 0.23 0.86 0.09 0.00 0.00 0.00 179.25 180.25 2xii n ASN 153 N -4.45 7.46 -4.27 0.00 3.02 -0.67 -4.49 115.26 111.87 2xii n ASN 153 Ca 0.01 -3.81 -0.15 0.00 -0.03 0.00 0.00 54.58 50.61 2xii n ASN 153 Cb 0.11 -0.98 -0.10 0.00 -0.61 0.00 0.00 39.78 38.20 2xii n ASN 153 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2xii s THR 154 N -4.95 0.82 0.56 3.41 -4.23 -1.12 -4.71 115.64 105.42 2xii s THR 154 Ca 0.58 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.35 2xii s THR 154 Cb 0.47 -2.15 0.36 0.00 1.34 0.00 0.00 72.50 72.52 2xii s THR 154 CO -0.19 -0.46 2.07 -0.65 -0.54 0.00 0.00 174.62 174.84 2xii h PRO 155 N 2.64 0.00 0.04 3.99 0.11 -1.75 -2.60 132.00 134.43 2xii h PRO 155 Ca -0.37 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.51 2xii h PRO 155 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2xii h PRO 155 CO 0.63 0.00 -1.02 -0.92 -0.21 0.00 0.00 178.00 176.48 2xii h TYR 156 N 0.00 0.37 0.00 0.65 3.20 -1.84 -3.48 116.97 115.87 2xii h TYR 156 Ca 0.13 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2xii h TYR 156 Cb 0.61 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2xii h TYR 156 CO 0.00 1.10 0.00 1.63 -1.64 0.00 0.00 178.16 179.25 2xii n LYS 157 N -3.59 0.00 -2.21 1.82 5.02 -0.98 -4.94 118.16 113.27 2xii n LYS 157 Ca -0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.91 2xii n LYS 157 Cb 0.90 -0.96 -0.01 0.00 -0.02 0.00 0.00 35.03 34.94 2xii n LYS 157 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2xii s ARG 158 N 0.00 3.54 -0.99 1.97 0.52 -1.26 -4.06 118.95 118.67 2xii s ARG 158 Ca 0.00 1.19 -0.23 0.00 -0.52 0.00 0.00 55.73 56.16 2xii s ARG 158 Cb 0.00 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.42 2xii s ARG 158 CO 0.00 -0.63 1.61 0.34 0.02 0.00 0.00 175.30 176.64 2xii s ASP 159 N -2.68 6.07 0.13 0.23 2.15 -1.26 -4.71 116.67 116.59 2xii s ASP 159 Ca 0.63 -1.22 -0.24 0.00 0.43 0.00 0.00 52.55 52.15 2xii s ASP 159 Cb -0.15 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 2xii s ASP 159 CO 0.32 -1.90 1.64 0.40 -0.17 0.00 0.00 175.17 175.46 2xii h ILE 160 N 6.92 0.47 -0.42 4.11 1.08 -1.91 -1.43 117.51 126.32 2xii h ILE 160 Ca 0.17 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.70 2xii h ILE 160 Cb 1.01 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 2xii h ILE 160 CO 1.36 0.00 0.11 0.25 -0.69 0.00 0.00 178.15 179.18 2xii h LEU 161 N -0.29 0.07 -0.69 1.44 5.85 -1.57 -0.48 115.31 119.65 2xii h LEU 161 Ca 0.09 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2xii h LEU 161 Cb 0.43 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2xii h LEU 161 CO -0.27 0.07 0.03 1.23 -0.34 0.00 0.00 178.44 179.17 2xii h GLY 162 N 0.25 1.13 1.02 3.75 0.00 -1.78 0.17 103.07 107.62 2xii h GLY 162 Ca 0.20 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2xii h GLY 162 CO -0.24 0.74 0.26 0.83 0.00 0.00 0.00 176.54 178.13 2xii h GLU 163 N 0.97 1.02 -0.16 4.80 5.08 -0.75 -2.41 114.58 123.13 2xii h GLU 163 Ca 0.18 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2xii h GLU 163 Cb 0.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2xii h GLU 163 CO 0.02 0.85 0.02 -0.07 -1.00 0.00 0.00 179.01 178.84 2xii h LEU 164 N 0.96 0.25 -0.23 1.33 3.38 -0.81 -1.68 115.31 118.51 2xii h LEU 164 Ca 0.22 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2xii h LEU 164 Cb 0.22 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2xii h LEU 164 CO -0.02 0.45 -0.25 0.58 0.09 0.00 0.00 178.44 179.30 2xii h VAL 165 N 0.04 0.38 -0.38 1.22 2.07 -0.90 0.24 116.25 118.92 2xii h VAL 165 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2xii h VAL 165 Cb 0.31 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2xii h VAL 165 CO 0.00 0.00 0.23 0.50 0.02 0.00 0.00 177.57 178.32 2xii h LYS 166 N -0.26 0.52 -0.40 1.57 1.63 -1.45 -1.05 116.57 117.13 2xii h LYS 166 Ca 0.13 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 2xii h LYS 166 Cb 0.47 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2xii h LYS 166 CO -0.38 0.40 -0.23 0.00 -3.45 0.00 0.00 179.45 175.79 2xii h ALA 167 N 1.09 0.57 -0.29 5.00 0.00 -0.77 -1.43 119.26 123.43 2xii h ALA 167 Ca 0.14 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2xii h ALA 167 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2xii h ALA 167 CO -0.02 0.56 -0.02 1.88 0.00 0.00 0.00 179.25 181.64 2xii h TYR 168 N 0.68 0.57 -0.44 0.00 0.05 -0.46 -3.06 116.97 114.32 2xii h TYR 168 Ca 0.08 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2xii h TYR 168 Cb 0.80 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 2xii h TYR 168 CO 0.06 0.68 0.19 -0.91 -1.05 0.00 0.00 178.16 177.12 2xii h ASN 169 N 0.30 0.56 0.22 3.88 2.35 -1.02 -1.02 115.58 120.84 2xii h ASN 169 Ca 0.08 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2xii h ASN 169 Cb 0.46 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2xii h ASN 169 CO 0.02 0.50 -0.08 0.44 -1.65 0.00 0.00 177.43 176.65 2xii h ASP 170 N 0.62 0.00 -0.18 5.81 3.32 -1.17 -0.41 116.42 124.41 2xii h ASP 170 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2xii h ASP 170 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2xii h ASP 170 CO -0.02 0.08 0.00 -0.62 -1.72 0.00 0.00 179.24 176.96 2xii n GLU 171 N -3.77 1.74 -1.87 3.56 -0.58 -0.45 -4.93 120.64 114.35 2xii n GLU 171 Ca -0.02 -1.12 -0.05 0.00 -0.42 0.00 0.00 57.16 55.54 2xii n GLU 171 Cb 0.18 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 2xii n GLU 171 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2xii n GLY 172 N 1.13 0.31 3.49 0.62 0.00 -0.16 -5.01 105.19 105.56 2xii n GLY 172 Ca 0.16 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2xii n GLY 172 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xii s ILE 173 N -2.26 4.02 0.42 -0.61 1.01 -0.80 -4.97 121.20 118.01 2xii s ILE 173 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 2xii s ILE 173 Cb 0.00 -2.80 -0.09 0.00 0.01 0.00 0.00 42.46 39.59 2xii s ILE 173 CO 0.00 0.46 1.08 -1.81 0.00 0.00 0.00 174.94 174.67 2xii s ASP 174 N 0.68 6.60 -0.11 3.58 1.01 -0.83 -3.47 116.67 124.13 2xii s ASP 174 Ca -0.01 2.11 0.01 0.00 0.71 0.00 0.00 52.55 55.38 2xii s ASP 174 Cb -0.14 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 2xii s ASP 174 CO 0.02 -0.61 -0.14 -0.69 0.21 0.00 0.00 175.17 173.97 2xii s VAL 175 N -1.63 3.01 0.04 -1.27 1.01 -1.26 -1.14 120.40 119.15 2xii s VAL 175 Ca 0.59 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2xii s VAL 175 Cb -0.24 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2xii s VAL 175 CO 0.29 0.54 -0.21 -1.00 0.00 0.00 0.00 175.10 174.73 2xii s HIS 176 N 0.07 2.49 -0.29 5.22 3.76 0.55 -1.46 115.29 125.63 2xii s HIS 176 Ca -0.06 -0.30 -0.08 0.00 -0.15 0.00 0.00 55.06 54.47 2xii s HIS 176 Cb -0.15 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 2xii s HIS 176 CO 0.04 0.20 0.10 -0.06 -0.85 0.00 0.00 174.74 174.18 2xii s PHE 177 N -0.87 3.14 0.32 1.40 0.08 -0.17 -1.47 117.98 120.40 2xii s PHE 177 Ca 0.13 -0.64 -0.28 0.00 0.12 0.00 0.00 56.93 56.27 2xii s PHE 177 Cb -0.10 -2.29 -0.09 0.00 -0.57 0.00 0.00 43.02 39.97 2xii s PHE 177 CO 0.04 -0.46 1.12 -0.47 -0.10 0.00 0.00 175.22 175.36 2xii s TYR 178 N 1.58 3.40 -0.11 0.36 5.04 -0.06 -0.62 117.35 126.94 2xii s TYR 178 Ca 0.05 1.64 -0.04 0.00 -2.44 0.00 0.00 57.07 56.28 2xii s TYR 178 Cb -0.16 -3.32 0.06 0.00 0.35 0.00 0.00 41.96 38.88 2xii s TYR 178 CO 0.04 -0.81 0.17 0.12 -1.34 0.00 0.00 175.55 173.73 2xii s PHE 179 N -1.27 -0.18 -0.28 4.97 5.36 -0.32 -1.91 117.98 124.35 2xii s PHE 179 Ca 0.49 0.50 -0.28 0.00 -0.96 0.00 0.00 56.93 56.68 2xii s PHE 179 Cb -0.31 -0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.08 2xii s PHE 179 CO 0.40 -0.35 0.99 0.45 -1.46 0.00 0.00 175.22 175.26 2xii s SER 180 N 2.29 6.93 0.01 6.13 0.15 -0.74 -1.49 113.70 126.98 2xii s SER 180 Ca 0.04 1.09 -0.25 0.00 0.70 0.00 0.00 55.95 57.52 2xii s SER 180 Cb -0.13 -2.51 -0.15 0.00 -1.71 0.00 0.00 66.02 61.52 2xii s SER 180 CO -0.07 -0.73 1.13 0.58 1.20 0.00 0.00 173.24 175.35 2xii h VAL 181 N 5.59 0.28 -1.65 4.45 2.07 -1.23 -3.42 116.25 122.34 2xii h VAL 181 Ca -0.21 -0.43 -0.69 0.00 0.82 0.00 0.00 66.70 66.19 2xii h VAL 181 Cb 1.07 0.39 0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2xii h VAL 181 CO 0.98 0.04 0.51 0.80 0.02 0.00 0.00 177.57 179.92 2xii n MET 182 N -5.28 1.13 -3.63 1.57 0.00 -0.54 -4.95 117.12 105.41 2xii n MET 182 Ca -0.11 0.41 -0.25 0.00 -0.00 0.00 0.00 57.70 57.75 2xii n MET 182 Cb 0.32 -2.05 -0.17 0.00 0.00 0.00 0.00 33.22 31.32 2xii n MET 182 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2xii s ASP 183 N 0.93 2.23 0.00 6.12 -1.08 -1.26 -4.37 116.67 119.23 2xii s ASP 183 Ca 0.87 -0.53 0.30 0.00 -0.52 0.00 0.00 52.55 52.66 2xii s ASP 183 Cb -0.98 -0.26 1.49 0.00 -1.46 0.00 0.00 42.92 41.71 2xii s ASP 183 CO 0.50 -0.33 2.03 0.79 0.52 0.00 0.00 175.17 178.68 2xii n TRP 184 N 5.26 0.00 0.32 -5.34 8.01 0.17 -3.17 117.44 122.69 2xii n TRP 184 Ca -0.07 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.23 2xii n TRP 184 Cb 0.49 -0.29 -0.05 0.00 -2.01 0.00 0.00 31.31 29.45 2xii n TRP 184 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2xii n SER 185 N -1.29 0.51 -4.45 -0.99 3.41 -1.21 -4.82 113.62 104.78 2xii n SER 185 Ca 0.14 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 2xii n SER 185 Cb 0.24 1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 65.17 2xii n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2xii s ASN 186 N -4.37 6.04 0.15 4.04 3.84 -1.19 -4.96 114.94 118.49 2xii s ASN 186 Ca -0.00 -0.88 0.11 0.00 0.21 0.00 0.00 52.86 52.30 2xii s ASN 186 Cb 0.13 -2.13 0.59 0.00 -0.55 0.00 0.00 41.25 39.29 2xii s ASN 186 CO 0.83 -0.42 1.35 -0.81 -2.79 0.00 0.00 177.10 175.26 2xii n PRO 187 N 5.13 0.07 0.00 0.43 -0.04 -1.26 -1.58 135.00 137.74 2xii n PRO 187 Ca -0.11 0.54 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 2xii n PRO 187 Cb 0.47 -1.71 0.57 0.00 -0.04 0.00 0.00 33.50 32.79 2xii n PRO 187 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2xii n ASP 188 N -1.86 0.08 -4.77 3.54 8.00 -1.26 -4.86 116.55 115.42 2xii n ASP 188 Ca -0.00 0.40 -0.40 0.00 0.71 0.00 0.00 54.79 55.50 2xii n ASP 188 Cb 0.04 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.75 2xii n ASP 188 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2xii s TYR 189 N -3.00 2.48 0.00 1.24 5.04 -0.62 -3.59 117.35 118.90 2xii s TYR 189 Ca 0.14 1.25 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 2xii s TYR 189 Cb 0.19 -3.94 -0.01 0.00 0.35 0.00 0.00 41.96 38.55 2xii s TYR 189 CO 0.55 -2.94 -0.05 1.03 -1.34 0.00 0.00 175.55 172.81 2xii s ARG 190 N -2.39 0.38 0.09 4.97 1.81 -1.26 -4.97 118.95 117.58 2xii s ARG 190 Ca 0.60 -0.24 0.01 0.00 -1.72 0.00 0.00 55.73 54.37 2xii s ARG 190 Cb -0.44 -0.33 -0.25 0.00 -0.45 0.00 0.00 34.95 33.48 2xii s ARG 190 CO 0.57 0.09 1.17 1.88 -0.68 0.00 0.00 175.30 178.33 2xii h TYR 191 N 5.82 0.28 -3.65 -0.53 -1.99 -1.99 -3.43 116.97 111.48 2xii h TYR 191 Ca -0.28 -0.20 -0.08 0.00 2.00 0.00 0.00 58.73 60.17 2xii h TYR 191 Cb 1.20 -0.01 -0.14 0.00 2.00 0.00 0.00 36.73 39.78 2xii h TYR 191 CO 0.44 1.16 -0.28 0.34 -0.00 0.00 0.00 178.16 179.83 2xii s ASP 192 N -6.93 0.00 -0.47 3.88 2.15 -1.26 -1.64 116.67 112.40 2xii s ASP 192 Ca -0.02 -0.52 -0.19 0.00 0.43 0.00 0.00 52.55 52.25 2xii s ASP 192 Cb 0.08 0.38 0.04 0.00 -0.30 0.00 0.00 42.92 43.12 2xii s ASP 192 CO 0.85 -0.75 0.58 -0.63 -0.17 0.00 0.00 175.17 175.05 2xii s ILE 193 N -3.72 4.93 -0.04 4.11 -1.09 -1.26 -4.90 121.20 119.23 2xii s ILE 193 Ca 0.03 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2xii s ILE 193 Cb 0.03 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 2xii s ILE 193 CO -0.11 -0.68 0.90 0.29 -1.23 0.00 0.00 174.94 174.12 2xii n LYS 194 N 6.02 2.12 -3.64 2.79 5.02 -1.26 -5.00 118.16 124.20 2xii n LYS 194 Ca -0.06 -1.30 -0.08 0.00 -2.02 0.00 0.00 58.31 54.85 2xii n LYS 194 Cb 0.46 -1.01 -0.02 0.00 -0.02 0.00 0.00 35.03 34.44 2xii n LYS 194 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2xii s SER 195 N -0.78 -0.35 0.24 4.39 1.04 -1.26 -4.99 113.70 111.98 2xii s SER 195 Ca 0.01 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 2xii s SER 195 Cb 0.00 0.58 0.27 0.00 0.10 0.00 0.00 66.02 66.97 2xii s SER 195 CO 0.01 -1.01 1.88 0.11 0.98 0.00 0.00 173.24 175.21 2xii h LYS 196 N 2.00 1.04 -0.55 4.02 1.57 -2.01 -2.75 116.57 119.89 2xii h LYS 196 Ca -0.25 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 2xii h LYS 196 Cb 1.26 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 2xii h LYS 196 CO 0.29 0.69 0.12 1.49 -0.57 0.00 0.00 179.45 181.48 2xii h GLU 197 N 1.07 0.89 -0.86 3.15 4.22 -2.00 -2.51 114.58 118.54 2xii h GLU 197 Ca 0.35 -0.22 0.12 0.00 0.08 0.00 0.00 59.36 59.68 2xii h GLU 197 Cb 0.02 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.08 2xii h GLU 197 CO -0.12 0.84 0.49 -0.44 -2.18 0.00 0.00 179.01 177.60 2xii h ASP 198 N 0.79 0.67 -0.53 1.04 3.32 -1.90 -1.17 116.42 118.64 2xii h ASP 198 Ca 0.17 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2xii h ASP 198 Cb 0.36 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2xii h ASP 198 CO 0.00 0.35 0.21 -1.28 -1.72 0.00 0.00 179.24 176.81 2xii h SER 199 N 0.77 0.73 -0.30 6.45 0.87 -1.17 0.12 113.55 121.02 2xii h SER 199 Ca 0.44 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 2xii h SER 199 Cb 0.48 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2xii h SER 199 CO -0.29 0.70 -0.22 0.40 -0.53 0.00 0.00 176.83 176.88 2xii h ILE 200 N 0.71 1.30 -0.35 2.23 2.04 -1.27 -2.16 117.51 120.01 2xii h ILE 200 Ca 0.18 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 2xii h ILE 200 Cb 0.20 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2xii h ILE 200 CO -0.01 0.44 0.16 0.00 0.00 0.00 0.00 178.15 178.73 2xii h ALA 201 N 0.73 0.46 -0.33 1.87 0.00 -1.08 -2.34 119.26 118.56 2xii h ALA 201 Ca 0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2xii h ALA 201 Cb 0.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2xii h ALA 201 CO 0.06 0.04 -0.15 0.35 0.00 0.00 0.00 179.25 179.55 2xii h PHE 202 N 0.43 0.66 -0.75 0.00 3.57 -0.94 -1.07 116.94 118.83 2xii h PHE 202 Ca 0.12 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2xii h PHE 202 Cb 0.16 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 2xii h PHE 202 CO -0.01 0.72 0.49 0.77 -2.23 0.00 0.00 178.31 178.05 2xii h SER 203 N 0.54 0.82 -1.00 0.41 0.02 -1.14 -0.61 113.55 112.59 2xii h SER 203 Ca 0.09 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2xii h SER 203 Cb 0.58 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 2xii h SER 203 CO 0.04 0.58 0.66 0.03 -1.14 0.00 0.00 176.83 176.99 2xii h ARG 204 N 0.97 1.26 -0.36 3.45 3.08 -0.83 -2.58 114.38 119.36 2xii h ARG 204 Ca 0.29 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2xii h ARG 204 Cb -0.04 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.71 2xii h ARG 204 CO -0.09 0.83 0.21 0.35 -1.07 0.00 0.00 179.97 180.21 2xii h PHE 205 N 1.30 0.48 -0.62 3.04 3.57 -0.22 -1.01 116.94 123.48 2xii h PHE 205 Ca 0.38 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 2xii h PHE 205 Cb -0.06 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2xii h PHE 205 CO -0.00 0.36 0.26 -0.07 -2.23 0.00 0.00 178.31 176.62 2xii h LEU 206 N 0.47 0.81 -0.16 0.59 3.38 -0.97 0.43 115.31 119.85 2xii h LEU 206 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2xii h LEU 206 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2xii h LEU 206 CO -0.02 0.72 0.04 -0.08 0.09 0.00 0.00 178.44 179.18 2xii h GLU 207 N 0.88 0.26 -0.71 1.13 4.81 -1.19 0.75 114.58 120.52 2xii h GLU 207 Ca 0.21 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.49 2xii h GLU 207 Cb 0.15 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 2xii h GLU 207 CO -0.02 0.41 0.30 0.35 -0.73 0.00 0.00 179.01 179.32 2xii h PHE 208 N 0.06 0.52 -0.24 0.92 3.57 -0.97 -0.40 116.94 120.41 2xii h PHE 208 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2xii h PHE 208 Cb 0.27 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2xii h PHE 208 CO 0.01 0.12 0.04 1.15 -2.23 0.00 0.00 178.31 177.40 2xii h THR 209 N 0.48 1.23 -0.71 4.41 2.02 -0.59 -1.82 112.91 117.93 2xii h THR 209 Ca 0.37 -0.77 0.10 0.00 0.77 0.00 0.00 66.41 66.88 2xii h THR 209 Cb 0.49 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 2xii h THR 209 CO -0.34 0.24 0.34 0.44 0.37 0.00 0.00 175.52 176.57 2xii h ASP 210 N 0.19 0.43 -0.37 4.18 3.32 -0.51 -1.18 116.42 122.48 2xii h ASP 210 Ca 0.07 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2xii h ASP 210 Cb 0.33 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2xii h ASP 210 CO 0.00 0.24 0.23 0.78 -1.72 0.00 0.00 179.24 178.77 2xii h ASN 211 N 0.57 0.44 -0.67 6.45 2.35 -0.68 -0.72 115.58 123.33 2xii h ASN 211 Ca 0.35 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2xii h ASN 211 Cb 0.40 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2xii h ASN 211 CO -0.28 0.36 0.33 1.56 -1.65 0.00 0.00 177.43 177.74 2xii h GLN 212 N 0.49 0.96 -0.49 0.81 4.20 -0.98 -1.69 115.11 118.40 2xii h GLN 212 Ca 0.13 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2xii h GLN 212 Cb -0.01 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2xii h GLN 212 CO -0.03 0.75 0.18 -0.07 -0.67 0.00 0.00 178.83 179.00 2xii h LEU 213 N 0.92 0.69 -0.84 1.46 3.38 -0.84 -0.97 115.31 119.12 2xii h LEU 213 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2xii h LEU 213 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2xii h LEU 213 CO -0.03 0.69 0.50 0.11 0.09 0.00 0.00 178.44 179.79 2xii h LYS 214 N 0.66 1.15 -0.44 1.13 1.57 -1.12 -1.63 116.57 117.89 2xii h LYS 214 Ca 0.16 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2xii h LYS 214 Cb 0.22 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2xii h LYS 214 CO -0.01 0.81 0.23 1.49 -0.57 0.00 0.00 179.45 181.41 2xii h GLU 215 N 1.16 0.62 -0.58 3.15 4.81 -0.92 -1.28 114.58 121.52 2xii h GLU 215 Ca 0.30 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2xii h GLU 215 Cb -0.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2xii h GLU 215 CO -0.05 0.50 0.37 -0.07 -0.73 0.00 0.00 179.01 179.03 2xii h LEU 216 N 0.57 0.62 -1.03 1.64 3.38 -1.01 0.34 115.31 119.83 2xii h LEU 216 Ca 0.15 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2xii h LEU 216 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2xii h LEU 216 CO -0.02 0.44 -0.48 0.00 0.09 0.00 0.00 178.44 178.47 2xii h ALA 217 N 1.23 1.20 0.12 1.53 0.00 -1.02 -1.19 119.26 121.14 2xii h ALA 217 Ca 0.22 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.35 2xii h ALA 217 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2xii h ALA 217 CO -0.07 0.60 -1.83 1.79 0.00 0.00 0.00 179.25 179.74 2xii h THR 218 N 0.00 0.73 -0.67 0.00 1.35 -0.95 -3.30 112.91 110.06 2xii h THR 218 Ca -0.00 -2.35 -0.03 0.00 -0.55 0.00 0.00 66.41 63.48 2xii h THR 218 Cb 0.85 2.52 -0.03 0.00 -1.73 0.00 0.00 68.15 69.76 2xii h THR 218 CO 0.06 0.81 0.29 0.03 -0.25 0.00 0.00 175.52 176.46 2xii h ARG 219 N -0.08 0.98 -2.55 4.72 3.08 -0.34 -3.36 114.38 116.83 2xii h ARG 219 Ca -0.40 -0.15 -0.60 0.00 0.07 0.00 0.00 59.98 58.90 2xii h ARG 219 Cb 1.93 -0.17 -0.41 0.00 0.08 0.00 0.00 29.97 31.40 2xii h ARG 219 CO 0.06 0.78 -0.70 0.66 -1.07 0.00 0.00 179.97 179.70 2xii n TYR 220 N -4.32 2.33 0.89 3.04 4.01 -0.45 -4.96 117.16 117.70 2xii n TYR 220 Ca 0.06 -4.02 0.11 0.00 -0.16 0.00 0.00 57.90 53.89 2xii n TYR 220 Cb 0.16 -0.44 0.52 0.00 -0.31 0.00 0.00 39.34 39.28 2xii n TYR 220 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2xii n PRO 221 N 1.65 0.09 0.00 -0.72 -0.04 -1.24 -2.18 135.00 132.55 2xii n PRO 221 Ca 0.25 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2xii n PRO 221 Cb 0.41 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 32.99 2xii n PRO 221 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2xii n THR 222 N -1.44 0.21 -1.64 0.52 -2.24 -1.26 -4.89 114.28 103.53 2xii n THR 222 Ca 0.07 0.05 -0.47 0.00 -2.27 0.00 0.00 64.05 61.43 2xii n THR 222 Cb 0.25 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 2xii n THR 222 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2xii n VAL 223 N -1.28 0.38 0.66 2.28 3.14 -0.93 -4.65 118.33 117.94 2xii n VAL 223 Ca 0.12 -0.10 0.07 0.00 -2.96 0.00 0.00 64.34 61.47 2xii n VAL 223 Cb 0.20 -1.28 -0.06 0.00 -1.06 0.00 0.00 33.84 31.64 2xii n VAL 223 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2xii n LYS 224 N 2.62 2.24 -3.58 1.45 4.76 -0.53 -4.84 118.16 120.28 2xii n LYS 224 Ca 0.15 -0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 2xii n LYS 224 Cb 0.27 -1.18 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 2xii n LYS 224 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2xii s ASP 225 N -2.21 -0.55 -0.14 4.39 2.15 -1.26 -1.64 116.67 117.41 2xii s ASP 225 Ca 0.07 0.77 0.02 0.00 0.43 0.00 0.00 52.55 53.85 2xii s ASP 225 Cb 0.11 0.69 0.01 0.00 -0.30 0.00 0.00 42.92 43.43 2xii s ASP 225 CO 0.53 -0.38 -0.22 -0.36 -0.17 0.00 0.00 175.17 174.57 2xii s PHE 226 N -0.64 2.65 -0.40 -5.34 0.40 -0.52 -1.00 117.98 113.14 2xii s PHE 226 Ca -0.04 -1.35 -0.02 0.00 -0.60 0.00 0.00 56.93 54.92 2xii s PHE 226 Cb -0.02 -1.81 0.11 0.00 0.51 0.00 0.00 43.02 41.81 2xii s PHE 226 CO 0.03 -0.62 0.18 -0.46 0.70 0.00 0.00 175.22 175.05 2xii s TRP 227 N 0.84 3.59 0.29 0.36 -0.00 0.21 -2.45 118.94 121.77 2xii s TRP 227 Ca -0.07 -2.43 -0.28 0.00 -0.00 0.00 0.00 56.10 53.32 2xii s TRP 227 Cb -0.15 -3.15 -0.09 0.00 -0.00 0.00 0.00 33.47 30.07 2xii s TRP 227 CO -0.02 -0.96 0.99 -0.06 -0.00 0.00 0.00 176.95 176.89 2xii s PHE 228 N 1.13 3.74 0.24 5.86 0.08 -1.26 -1.18 117.98 126.59 2xii s PHE 228 Ca 0.08 1.80 0.01 0.00 0.12 0.00 0.00 56.93 58.95 2xii s PHE 228 Cb -0.22 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 2xii s PHE 228 CO -0.04 0.05 0.17 0.34 -0.10 0.00 0.00 175.22 175.63 2xii s ASP 229 N -1.26 0.61 -1.11 1.36 2.15 -0.55 -4.45 116.67 113.42 2xii s ASP 229 Ca 0.46 -1.49 -0.05 0.00 0.43 0.00 0.00 52.55 51.90 2xii s ASP 229 Cb -0.25 0.42 0.01 0.00 -0.30 0.00 0.00 42.92 42.79 2xii s ASP 229 CO 0.31 -0.89 0.69 0.61 -0.17 0.00 0.00 175.17 175.73 2xii n GLY 230 N -0.37 -0.21 0.62 2.66 0.00 -1.26 -1.01 105.19 105.61 2xii n GLY 230 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2xii n GLY 230 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xii n THR 231 N -4.32 1.54 1.16 2.61 -2.24 -1.26 -1.47 114.28 110.30 2xii n THR 231 Ca -0.04 -1.42 0.14 0.00 -2.27 0.00 0.00 64.05 60.46 2xii n THR 231 Cb 0.57 0.17 0.61 0.00 -2.10 0.00 0.00 70.33 69.57 2xii n THR 231 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2xii n TRP 232 N -0.12 0.00 -2.15 4.78 2.14 -1.26 -4.58 117.44 116.24 2xii n TRP 232 Ca 0.14 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.38 2xii n TRP 232 Cb 0.59 -0.37 -0.00 0.00 -0.81 0.00 0.00 31.31 30.72 2xii n TRP 232 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2xii s ASP 233 N -2.82 5.96 0.41 -0.67 1.01 -1.26 -4.88 116.67 114.41 2xii s ASP 233 Ca 0.19 1.80 0.11 0.00 0.71 0.00 0.00 52.55 55.36 2xii s ASP 233 Cb 0.19 -2.53 0.93 0.00 1.01 0.00 0.00 42.92 42.52 2xii s ASP 233 CO 0.53 -1.04 1.96 0.00 0.21 0.00 0.00 175.17 176.83 2xii h ALA 234 N 0.64 1.91 -0.94 5.23 0.00 -1.82 -1.73 119.26 122.56 2xii h ALA 234 Ca -0.47 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.50 2xii h ALA 234 Cb 1.22 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2xii h ALA 234 CO 0.58 -0.05 0.59 0.66 0.00 0.00 0.00 179.25 181.03 2xii h SER 235 N 0.53 0.92 -0.05 0.00 4.64 -1.58 -1.74 113.55 116.27 2xii h SER 235 Ca 0.30 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.53 2xii h SER 235 Cb 0.48 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2xii h SER 235 CO -0.10 0.57 -0.41 0.58 -0.87 0.00 0.00 176.83 176.60 2xii h VAL 236 N 1.04 1.43 -0.93 0.95 2.07 -1.62 -3.19 116.25 116.01 2xii h VAL 236 Ca 0.42 -1.87 0.17 0.00 0.82 0.00 0.00 66.70 66.25 2xii h VAL 236 Cb 0.24 2.44 -0.10 0.00 -1.52 0.00 0.00 31.29 32.34 2xii h VAL 236 CO -0.20 0.54 0.52 0.50 0.02 0.00 0.00 177.57 178.95 2xii h LYS 237 N -0.15 0.66 -0.00 1.57 3.64 -1.12 0.27 116.57 121.44 2xii h LYS 237 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2xii h LYS 237 Cb 1.09 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2xii h LYS 237 CO 0.08 0.44 -0.13 1.63 -2.27 0.00 0.00 179.45 179.20 2xii n LYS 238 N -4.83 0.51 -2.28 1.90 5.02 -0.69 -3.82 118.16 113.97 2xii n LYS 238 Ca 0.20 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 2xii n LYS 238 Cb 0.51 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 2xii n LYS 238 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2xii n ASN 239 N -1.10 6.17 -0.24 4.39 3.02 0.08 -4.83 115.26 122.75 2xii n ASN 239 Ca 0.12 -3.77 0.08 0.00 -0.03 0.00 0.00 54.58 50.99 2xii n ASN 239 Cb 0.29 -0.80 0.35 0.00 -0.61 0.00 0.00 39.78 39.01 2xii n ASN 239 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2xii h GLY 240 N 2.94 1.11 0.55 7.41 0.00 -1.66 -0.81 103.07 112.61 2xii h GLY 240 Ca 0.43 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.55 2xii h GLY 240 CO 1.14 0.18 0.62 0.11 0.00 0.00 0.00 176.54 178.59 2xii h TRP 241 N 0.77 1.11 -0.49 5.60 5.08 -1.86 -1.21 115.95 124.94 2xii h TRP 241 Ca 0.38 0.03 -0.13 0.00 1.08 0.00 0.00 58.89 60.25 2xii h TRP 241 Cb 0.44 -0.35 -0.01 0.00 -3.00 0.00 0.00 29.16 26.23 2xii h TRP 241 CO -0.00 0.47 -0.21 2.35 -1.28 0.00 0.00 178.44 179.77 2xii h TRP 242 N 0.99 1.15 -0.58 0.12 7.01 -1.52 0.59 115.95 123.71 2xii h TRP 242 Ca 0.47 -0.28 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 2xii h TRP 242 Cb 0.44 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 2xii h TRP 242 CO -0.00 1.11 0.25 1.79 -2.79 0.00 0.00 178.44 178.80 2xii h THR 243 N 0.87 1.22 -0.58 2.65 1.35 -1.21 0.95 112.91 118.15 2xii h THR 243 Ca 0.11 -0.66 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 2xii h THR 243 Cb 0.79 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 2xii h THR 243 CO 0.07 0.26 0.22 0.00 -0.25 0.00 0.00 175.52 175.82 2xii h ALA 244 N 1.09 0.76 -0.81 6.62 0.00 -1.04 -2.62 119.26 123.28 2xii h ALA 244 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2xii h ALA 244 Cb 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2xii h ALA 244 CO -0.02 0.39 0.38 1.25 0.00 0.00 0.00 179.25 181.25 2xii h HIS 245 N 0.81 1.17 -0.42 0.00 -0.00 -0.42 -2.15 115.15 114.14 2xii h HIS 245 Ca 0.19 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 2xii h HIS 245 Cb 0.22 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 2xii h HIS 245 CO 0.01 0.86 0.06 0.00 -0.00 0.00 0.00 177.93 178.86 2xii h ALA 246 N 1.20 0.56 -0.19 5.26 0.00 -0.71 0.20 119.26 125.58 2xii h ALA 246 Ca 0.28 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2xii h ALA 246 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2xii h ALA 246 CO -0.03 0.28 0.04 1.49 0.00 0.00 0.00 179.25 181.02 2xii h GLU 247 N 0.55 0.11 -0.35 0.00 4.81 -1.39 -1.81 114.58 116.50 2xii h GLU 247 Ca 0.13 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2xii h GLU 247 Cb 0.38 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2xii h GLU 247 CO 0.01 0.07 -0.01 0.37 -0.73 0.00 0.00 179.01 178.72 2xii h GLN 248 N 0.11 0.63 -0.73 1.92 5.75 -0.92 -1.63 115.11 120.25 2xii h GLN 248 Ca 0.08 -0.20 0.10 0.00 -0.15 0.00 0.00 58.65 58.48 2xii h GLN 248 Cb 0.08 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 2xii h GLN 248 CO -0.11 0.75 0.36 1.98 -2.65 0.00 0.00 178.83 179.15 2xii h MET 249 N 0.44 0.58 -0.09 1.69 4.05 -0.54 -0.93 114.93 120.13 2xii h MET 249 Ca 0.10 -0.03 -0.20 0.00 -0.28 0.00 0.00 59.70 59.28 2xii h MET 249 Cb 0.47 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2xii h MET 249 CO 0.02 0.38 -0.78 -0.07 0.23 0.00 0.00 176.91 176.69 2xii h LEU 250 N 0.60 0.64 -1.05 3.39 3.38 -1.17 -2.84 115.31 118.25 2xii h LEU 250 Ca 0.36 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2xii h LEU 250 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2xii h LEU 250 CO -0.29 1.20 -0.21 0.11 0.09 0.00 0.00 178.44 179.35 2xii h LYS 251 N 0.35 0.43 -0.26 1.13 1.57 -0.77 -0.45 116.57 118.57 2xii h LYS 251 Ca -0.05 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 2xii h LYS 251 Cb 1.38 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2xii h LYS 251 CO 0.14 0.62 -0.10 0.93 -0.57 0.00 0.00 179.45 180.47 2xii h GLU 252 N 0.39 0.42 0.01 3.15 5.08 -1.15 -3.21 114.58 119.27 2xii h GLU 252 Ca 0.06 -0.10 -0.23 0.00 -1.00 0.00 0.00 59.36 58.08 2xii h GLU 252 Cb 0.58 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2xii h GLU 252 CO 0.04 0.52 -1.19 -0.07 -1.00 0.00 0.00 179.01 177.32 2xii h LEU 253 N 0.39 0.04 -7.11 1.33 3.38 -1.14 -3.44 115.31 108.77 2xii h LEU 253 Ca 0.08 -0.05 -0.59 0.00 0.09 0.00 0.00 57.88 57.41 2xii h LEU 253 Cb 0.42 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 40.76 2xii h LEU 253 CO 0.02 1.04 -0.76 -0.69 0.09 0.00 0.00 178.44 178.14 2xii s VAL 254 N -2.68 0.92 -0.02 1.22 1.01 -0.24 -4.97 120.40 115.65 2xii s VAL 254 Ca -0.01 -1.57 -0.37 0.00 0.00 0.00 0.00 61.98 60.03 2xii s VAL 254 Cb 0.09 -1.69 -0.15 0.00 0.00 0.00 0.00 36.38 34.63 2xii s VAL 254 CO 0.83 -0.72 1.58 -2.65 0.00 0.00 0.00 175.10 174.13 2xii n PRO 255 N 4.64 1.53 -0.99 2.72 -0.02 -1.26 -2.01 135.00 139.60 2xii n PRO 255 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2xii n PRO 255 Cb 0.41 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2xii n PRO 255 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2xii n GLY 256 N 3.42 0.89 3.66 -1.23 0.00 -1.26 -5.00 105.19 105.67 2xii n GLY 256 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2xii n GLY 256 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2xii n VAL 257 N -2.19 2.28 -3.84 1.61 3.14 -0.85 -4.59 118.33 113.89 2xii n VAL 257 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 2xii n VAL 257 Cb 0.00 -1.38 -0.05 0.00 -1.06 0.00 0.00 33.84 31.35 2xii n VAL 257 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2xii s ALA 258 N -1.17 3.89 -0.06 1.55 0.00 -0.65 -4.95 121.76 120.37 2xii s ALA 258 Ca 0.59 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2xii s ALA 258 Cb -0.57 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 20.59 2xii s ALA 258 CO 0.59 0.66 -0.09 0.42 0.00 0.00 0.00 175.76 177.34 2xii s ILE 259 N -1.19 0.92 0.73 0.00 -1.09 -1.26 -1.44 121.20 117.87 2xii s ILE 259 Ca 0.22 -0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.18 2xii s ILE 259 Cb -0.13 -0.86 0.03 0.00 -1.58 0.00 0.00 42.46 39.92 2xii s ILE 259 CO 0.12 0.31 1.07 0.54 -1.23 0.00 0.00 174.94 175.75 2xii s ASN 260 N 0.74 5.06 0.45 3.58 4.22 -1.03 -0.35 114.94 127.61 2xii s ASN 260 Ca -0.14 1.55 0.25 0.00 -2.14 0.00 0.00 52.86 52.38 2xii s ASN 260 Cb -0.15 -2.38 0.60 0.00 1.28 0.00 0.00 41.25 40.60 2xii s ASN 260 CO 0.03 -1.64 1.70 0.77 -2.04 0.00 0.00 177.10 175.92 2xii h SER 261 N -0.85 0.00 -0.12 3.54 4.64 -1.52 -3.19 113.55 116.05 2xii h SER 261 Ca -0.45 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2xii h SER 261 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2xii h SER 261 CO 0.57 0.07 0.08 -0.09 -0.87 0.00 0.00 176.83 176.59 2xii h ARG 262 N 0.00 0.09 -0.68 4.77 2.43 -1.85 -0.96 114.38 118.18 2xii h ARG 262 Ca -0.00 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2xii h ARG 262 Cb 0.90 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2xii h ARG 262 CO 0.01 0.06 0.45 1.25 -1.51 0.00 0.00 179.97 180.23 2xii h LEU 263 N 0.10 0.50 -9.51 3.80 5.85 -1.77 -3.45 115.31 110.83 2xii h LEU 263 Ca 0.05 0.01 -0.64 0.00 0.84 0.00 0.00 57.88 58.14 2xii h LEU 263 Cb 0.08 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 2xii h LEU 263 CO -0.01 0.31 -0.44 -0.13 -0.34 0.00 0.00 178.44 177.83 2xii s ARG 264 N -5.52 3.76 0.02 1.25 1.81 -0.36 -4.82 118.95 115.09 2xii s ARG 264 Ca -0.09 -0.08 0.03 0.00 -1.72 0.00 0.00 55.73 53.87 2xii s ARG 264 Cb 0.20 -3.28 -0.02 0.00 -0.45 0.00 0.00 34.95 31.41 2xii s ARG 264 CO 0.76 0.59 -0.09 0.00 -0.68 0.00 0.00 175.30 175.88 2xii s ALA 265 N -0.52 0.77 0.51 2.13 0.00 -1.26 -2.14 121.76 121.24 2xii s ALA 265 Ca 0.14 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 2xii s ALA 265 Cb -0.12 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.94 2xii s ALA 265 CO 0.03 0.13 0.35 -0.40 0.00 0.00 0.00 175.76 175.87 2xii n ASP 266 N 2.23 0.48 -0.33 0.00 5.75 -0.24 -4.35 116.55 120.09 2xii n ASP 266 Ca -0.17 -1.40 0.09 0.00 -0.01 0.00 0.00 54.79 53.29 2xii n ASP 266 Cb 0.56 -0.23 0.29 0.00 -1.03 0.00 0.00 41.12 40.71 2xii n ASP 266 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2xii h ASP 267 N -0.21 0.83 0.07 -1.12 5.19 -1.91 0.15 116.42 119.43 2xii h ASP 267 Ca -0.12 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2xii h ASP 267 Cb 0.43 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.82 2xii h ASP 267 CO 0.13 0.43 -0.02 0.29 -3.12 0.00 0.00 179.24 176.95 2xii n LYS 268 N -4.60 1.15 -0.76 3.56 4.76 -1.26 -4.91 118.16 116.09 2xii n LYS 268 Ca 0.18 -0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2xii n LYS 268 Cb 0.39 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 2xii n LYS 268 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2xii n GLY 269 N 1.11 0.64 3.74 0.72 0.00 0.52 -5.04 105.19 106.88 2xii n GLY 269 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2xii n GLY 269 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xii s LYS 270 N -0.24 4.53 0.08 1.61 2.47 -1.26 -4.65 119.74 122.29 2xii s LYS 270 Ca 0.00 1.79 0.03 0.00 -1.56 0.00 0.00 55.97 56.23 2xii s LYS 270 Cb 0.00 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 33.06 2xii s LYS 270 CO 0.00 -0.02 0.11 1.03 0.16 0.00 0.00 175.35 176.62 2xii s ARG 271 N -0.19 2.99 0.00 4.03 0.52 -1.26 -1.08 118.95 123.95 2xii s ARG 271 Ca 0.52 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2xii s ARG 271 Cb -0.31 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.39 2xii s ARG 271 CO 0.35 0.57 0.00 0.72 0.02 0.00 0.00 175.30 176.96 2xii n HIS 272 N 0.35 0.00 -4.30 -0.53 8.25 -0.91 -4.66 115.22 113.42 2xii n HIS 272 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 2xii n HIS 272 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 2xii n HIS 272 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2xii s PHE 273 N 0.00 3.15 0.89 4.41 0.40 -1.26 -1.22 117.98 124.35 2xii s PHE 273 Ca 0.00 0.04 -0.15 0.00 -0.60 0.00 0.00 56.93 56.22 2xii s PHE 273 Cb 0.00 -1.90 0.21 0.00 0.51 0.00 0.00 43.02 41.85 2xii s PHE 273 CO 0.00 0.27 0.93 -0.40 0.70 0.00 0.00 175.22 176.71 2xii n ASP 274 N 2.82 -1.13 0.05 1.36 5.68 0.27 -4.82 116.55 120.78 2xii n ASP 274 Ca -0.18 -1.16 0.08 0.00 -0.50 0.00 0.00 54.79 53.03 2xii n ASP 274 Cb 0.53 -0.79 0.34 0.00 -1.14 0.00 0.00 41.12 40.06 2xii n ASP 274 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2xii n SER 275 N -4.16 0.23 -1.30 -1.12 7.64 -1.26 -1.18 113.62 112.46 2xii n SER 275 Ca 0.12 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.69 2xii n SER 275 Cb 0.46 -0.61 0.29 0.00 -1.01 0.00 0.00 64.21 63.34 2xii n SER 275 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2xii n ASN 276 N -1.76 3.81 0.00 6.43 3.02 -1.26 -4.87 115.26 120.62 2xii n ASN 276 Ca 0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2xii n ASN 276 Cb 0.15 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 2xii n ASN 276 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xii n GLY 277 N 1.63 0.49 3.84 7.41 0.00 -0.33 -5.03 105.19 113.20 2xii n GLY 277 Ca 0.23 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2xii n GLY 277 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xii s ARG 278 N -0.75 3.66 0.10 1.61 0.52 -1.26 -4.77 118.95 118.07 2xii s ARG 278 Ca 0.00 -0.12 -0.31 0.00 -0.52 0.00 0.00 55.73 54.78 2xii s ARG 278 Cb 0.00 -3.25 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 2xii s ARG 278 CO 0.00 0.65 1.55 -1.17 0.02 0.00 0.00 175.30 176.34 2xii s LEU 279 N -0.67 4.36 0.10 2.53 2.96 -1.26 -0.56 118.68 126.14 2xii s LEU 279 Ca 0.14 2.46 -0.03 0.00 -0.22 0.00 0.00 54.13 56.48 2xii s LEU 279 Cb -0.12 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 2xii s LEU 279 CO 0.03 -0.80 0.30 -0.04 -1.32 0.00 0.00 176.35 174.52 2xii s MET 280 N 1.79 3.54 0.48 1.98 -1.94 -0.36 -4.53 119.30 120.26 2xii s MET 280 Ca 0.70 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 2xii s MET 280 Cb -0.40 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.50 2xii s MET 280 CO 0.31 0.54 0.00 0.41 -0.01 0.00 0.00 175.02 176.27 2xii n GLY 281 N 0.24 -2.03 0.05 -0.03 0.00 -1.26 -4.13 105.19 98.02 2xii n GLY 281 Ca -0.04 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.71 2xii n GLY 281 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xii n ASP 282 N -1.42 0.49 -3.50 1.61 8.00 0.52 -4.81 116.55 117.45 2xii n ASP 282 Ca 0.00 -0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.32 2xii n ASP 282 Cb 0.14 1.11 -0.05 0.00 -0.02 0.00 0.00 41.12 42.29 2xii n ASP 282 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2xii s TYR 283 N -3.35 -0.62 0.07 1.24 -0.85 -1.25 -4.59 117.35 107.99 2xii s TYR 283 Ca -0.01 0.94 -0.21 0.00 -0.52 0.00 0.00 57.07 57.27 2xii s TYR 283 Cb 0.13 0.44 -0.06 0.00 0.38 0.00 0.00 41.96 42.85 2xii s TYR 283 CO 0.84 -0.65 0.63 -2.00 -1.52 0.00 0.00 175.55 172.84 2xii s GLU 284 N -1.74 4.32 -0.05 -3.49 -6.30 -0.07 -1.84 118.70 109.53 2xii s GLU 284 Ca -0.08 0.84 0.13 0.00 -2.50 0.00 0.00 54.97 53.36 2xii s GLU 284 Cb -0.00 -3.28 0.25 0.00 0.00 0.00 0.00 34.13 31.10 2xii s GLU 284 CO 0.05 0.53 1.11 -1.13 0.02 0.00 0.00 175.26 175.84 2xii n SER 285 N 2.04 0.97 -0.02 -1.70 3.41 -1.26 -1.42 113.62 115.65 2xii n SER 285 Ca -0.08 -2.47 0.13 0.00 -0.26 0.00 0.00 58.87 56.19 2xii n SER 285 Cb 0.50 -0.32 0.43 0.00 -0.26 0.00 0.00 64.21 64.56 2xii n SER 285 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xii n GLY 286 N -0.25 -1.31 3.42 5.00 0.00 -1.26 -4.67 105.19 106.12 2xii n GLY 286 Ca 0.07 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2xii n GLY 286 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2xii n TYR 287 N -1.43 4.66 -3.84 1.61 4.02 -1.26 -4.93 117.16 115.97 2xii n TYR 287 Ca 0.07 -3.15 -0.36 0.00 -0.01 0.00 0.00 57.90 54.45 2xii n TYR 287 Cb 0.33 -2.31 -0.13 0.00 -0.02 0.00 0.00 39.34 37.21 2xii n TYR 287 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2xii s GLU 288 N 2.29 2.87 -1.71 -0.72 2.12 -1.26 -1.83 118.70 120.46 2xii s GLU 288 Ca 0.46 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2xii s GLU 288 Cb 0.01 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2xii s GLU 288 CO 0.02 -0.48 0.00 0.54 -0.54 0.00 0.00 175.26 174.81 2xii n ARG 289 N 4.76 -1.50 -3.56 4.30 1.74 -0.01 -4.95 116.66 117.44 2xii n ARG 289 Ca -0.15 0.97 -0.17 0.00 -0.77 0.00 0.00 57.85 57.74 2xii n ARG 289 Cb 0.47 -5.50 -0.06 0.00 -1.02 0.00 0.00 32.46 26.35 2xii n ARG 289 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2xii s ARG 290 N -4.72 0.98 0.11 5.56 3.52 -1.26 -5.06 118.95 118.08 2xii s ARG 290 Ca 0.00 0.46 0.05 0.00 -0.13 0.00 0.00 55.73 56.11 2xii s ARG 290 Cb 0.00 0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 33.82 2xii s ARG 290 CO 0.00 -0.26 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.60 2xii s LEU 291 N -0.74 2.40 0.49 -0.88 1.43 -1.26 -4.67 118.68 115.44 2xii s LEU 291 Ca -0.08 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.00 2xii s LEU 291 Cb -0.02 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.68 2xii s LEU 291 CO 0.07 -0.19 1.18 -2.16 0.23 0.00 0.00 176.35 175.49 2xii s PRO 292 N -2.68 3.59 0.09 1.29 0.04 -1.26 -4.98 135.00 131.10 2xii s PRO 292 Ca 0.07 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 2xii s PRO 292 Cb -0.04 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 2xii s PRO 292 CO 0.02 -0.70 1.55 0.34 0.04 0.00 0.00 177.00 178.25 2xii s ASP 293 N -1.39 6.67 0.20 6.66 2.15 -1.26 -4.91 116.67 124.79 2xii s ASP 293 Ca 0.66 2.44 0.18 0.00 0.43 0.00 0.00 52.55 56.26 2xii s ASP 293 Cb -0.29 -2.58 0.83 0.00 -0.30 0.00 0.00 42.92 40.58 2xii s ASP 293 CO 0.35 -0.81 1.54 -2.65 -0.17 0.00 0.00 175.17 173.43 2xii n PRO 294 N 4.84 0.11 -0.09 4.34 -0.02 -1.26 -1.75 135.00 141.16 2xii n PRO 294 Ca 0.14 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2xii n PRO 294 Cb 0.41 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.01 2xii n PRO 294 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2xii n VAL 295 N -2.01 1.07 0.50 -1.45 0.31 -1.26 -4.73 118.33 110.76 2xii n VAL 295 Ca 0.01 -0.40 0.11 0.00 -0.01 0.00 0.00 64.34 64.05 2xii n VAL 295 Cb 0.11 -1.20 0.06 0.00 -0.91 0.00 0.00 33.84 31.90 2xii n VAL 295 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2xii n LYS 296 N -3.10 0.33 -1.29 5.55 5.02 -1.17 -4.34 118.16 119.16 2xii n LYS 296 Ca -0.34 0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 55.87 2xii n LYS 296 Cb 0.85 -1.64 0.12 0.00 -0.02 0.00 0.00 35.03 34.34 2xii n LYS 296 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2xii n ASP 297 N -2.09 3.61 0.13 4.39 8.00 -0.72 -4.74 116.55 125.13 2xii n ASP 297 Ca 0.02 -3.81 0.10 0.00 0.71 0.00 0.00 54.79 51.80 2xii n ASP 297 Cb 0.45 -0.50 0.48 0.00 -0.02 0.00 0.00 41.12 41.53 2xii n ASP 297 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2xii n LEU 298 N -0.94 0.51 -0.12 0.64 4.77 -1.26 -2.06 117.00 118.54 2xii n LEU 298 Ca 0.35 0.69 0.23 0.00 -0.03 0.00 0.00 56.01 57.26 2xii n LEU 298 Cb 0.88 -0.70 0.67 0.00 -2.33 0.00 0.00 43.42 41.94 2xii n LEU 298 CO 0.25 -0.74 1.23 0.07 -1.33 0.00 0.00 177.39 176.86 2xii h LYS 299 N 0.00 0.08 0.00 3.23 2.10 -1.96 -2.25 116.57 117.78 2xii h LYS 299 Ca 0.00 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2xii h LYS 299 Cb 0.13 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2xii h LYS 299 CO 0.00 0.06 -0.00 -0.39 -2.00 0.00 0.00 179.45 177.11 2xii h VAL 300 N 0.09 0.04 0.00 0.07 -1.51 -1.76 -2.22 116.25 110.96 2xii h VAL 300 Ca 0.37 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 2xii h VAL 300 Cb 1.33 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2xii h VAL 300 CO -0.04 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.66 2xii n THR 301 N -3.13 0.92 0.73 7.19 -2.24 -0.85 -3.10 114.28 113.80 2xii n THR 301 Ca -0.03 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 2xii n THR 301 Cb 0.10 -0.97 0.39 0.00 -2.10 0.00 0.00 70.33 67.75 2xii n THR 301 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xii n GLN 302 N -1.48 0.19 -4.12 -0.78 6.02 -0.83 -4.88 117.38 111.48 2xii n GLN 302 Ca 0.04 0.12 -0.09 0.00 -0.01 0.00 0.00 57.00 57.06 2xii n GLN 302 Cb 0.17 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 29.65 2xii n GLN 302 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 2xii s TRP 303 N -3.08 0.69 0.43 1.08 -2.14 -1.18 -4.58 118.94 110.16 2xii s TRP 303 Ca 0.10 -1.07 -0.24 0.00 2.66 0.00 0.00 56.10 57.56 2xii s TRP 303 Cb 0.15 -0.45 -0.08 0.00 -3.10 0.00 0.00 33.47 29.99 2xii s TRP 303 CO 0.62 -0.35 1.16 -0.51 -2.66 0.00 0.00 176.95 175.20 2xii s ASP 304 N -2.98 6.39 0.04 -2.66 1.01 -1.26 -4.94 116.67 112.26 2xii s ASP 304 Ca 0.12 2.30 -0.23 0.00 0.71 0.00 0.00 52.55 55.45 2xii s ASP 304 Cb 0.07 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.45 2xii s ASP 304 CO -0.06 -0.77 0.52 -1.66 0.21 0.00 0.00 175.17 173.42 2xii s TRP 305 N -1.50 -0.43 -0.05 4.23 1.48 -1.26 -0.89 118.94 120.52 2xii s TRP 305 Ca 0.60 0.51 -0.00 0.00 -1.06 0.00 0.00 56.10 56.15 2xii s TRP 305 Cb -0.29 0.34 0.03 0.00 -1.16 0.00 0.00 33.47 32.38 2xii s TRP 305 CO 0.36 -0.63 -0.01 -2.00 -4.06 0.00 0.00 176.95 170.61 2xii s GLU 306 N -2.30 0.54 0.21 3.25 2.12 -0.50 -1.45 118.70 120.56 2xii s GLU 306 Ca -0.06 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.33 2xii s GLU 306 Cb -0.01 -0.74 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 2xii s GLU 306 CO -0.01 -0.18 0.37 0.00 -0.54 0.00 0.00 175.26 174.90 2xii s ALA 307 N 1.34 3.88 0.11 6.30 0.00 0.01 -4.48 121.76 128.91 2xii s ALA 307 Ca -0.05 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.97 2xii s ALA 307 Cb -0.13 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2xii s ALA 307 CO -0.02 0.37 -0.11 0.00 0.00 0.00 0.00 175.76 176.00 2xii s MET 309 N -2.92 0.93 0.26 0.00 0.23 -0.34 -0.83 119.30 116.64 2xii s MET 309 Ca 0.08 -0.58 0.08 0.00 -1.03 0.00 0.00 55.69 54.24 2xii s MET 309 Cb -0.02 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 2xii s MET 309 CO 0.01 -0.33 0.15 0.95 -2.03 0.00 0.00 175.02 173.76 2xii s THR 310 N -3.09 4.09 -0.14 3.16 -4.23 -1.26 -1.48 115.64 112.70 2xii s THR 310 Ca -0.01 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2xii s THR 310 Cb 0.01 -3.23 -0.14 0.00 1.34 0.00 0.00 72.50 70.48 2xii s THR 310 CO -0.07 -0.34 0.32 0.40 -0.54 0.00 0.00 174.62 174.39 2xii h ILE 311 N 1.59 0.86 -3.37 2.99 2.04 -1.82 -3.46 117.51 116.34 2xii h ILE 311 Ca -0.47 -1.72 -0.40 0.00 1.00 0.00 0.00 64.86 63.26 2xii h ILE 311 Cb 1.24 1.70 0.20 0.00 -0.74 0.00 0.00 36.82 39.22 2xii h ILE 311 CO 0.61 0.29 0.08 -2.84 0.00 0.00 0.00 178.15 176.28 2xii s PRO 312 N -2.03 -1.74 0.21 2.37 0.02 -1.26 -1.22 135.00 131.35 2xii s PRO 312 Ca -0.14 -0.09 -0.08 0.00 0.02 0.00 0.00 61.00 60.71 2xii s PRO 312 Cb -0.00 -1.54 0.14 0.00 0.02 0.00 0.00 34.50 33.12 2xii s PRO 312 CO 0.39 -4.05 1.76 1.49 -0.33 0.00 0.00 177.00 176.26 2xii h GLU 313 N -2.82 1.17 -0.09 5.54 4.81 -1.73 -3.40 114.58 118.06 2xii h GLU 313 Ca -0.43 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 58.38 2xii h GLU 313 Cb 1.30 -0.18 -0.14 0.00 0.63 0.00 0.00 28.75 30.36 2xii h GLU 313 CO 0.30 0.98 -0.41 -1.71 -0.73 0.00 0.00 179.01 177.44 2xii n ASN 314 N -4.27 -2.66 -3.81 1.04 5.15 -1.26 -4.88 115.26 104.58 2xii n ASN 314 Ca 0.06 -2.97 -0.23 0.00 -0.60 0.00 0.00 54.58 50.84 2xii n ASN 314 Cb 0.21 1.62 -0.17 0.00 -0.53 0.00 0.00 39.78 40.91 2xii n ASN 314 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2xii s GLN 315 N 0.62 0.78 -0.20 1.20 -1.52 -1.26 -3.79 119.66 115.49 2xii s GLN 315 Ca 0.31 0.03 -0.13 0.00 -1.95 0.00 0.00 55.36 53.61 2xii s GLN 315 Cb 0.20 -1.05 -0.08 0.00 -0.22 0.00 0.00 33.01 31.86 2xii s GLN 315 CO -0.20 -0.27 -0.31 0.91 -0.25 0.00 0.00 175.29 175.17 2xii n TRP 316 N 4.98 0.00 -1.42 0.91 7.02 -1.26 -4.62 117.44 123.05 2xii n TRP 316 Ca -0.10 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.08 2xii n TRP 316 Cb 0.50 -0.70 0.09 0.00 -2.42 0.00 0.00 31.31 28.78 2xii n TRP 316 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2xii s GLY 317 N -5.19 1.64 0.01 6.99 0.00 -1.26 -3.67 107.32 105.84 2xii s GLY 317 Ca -0.30 -0.00 -0.32 0.00 0.00 0.00 0.00 44.72 44.09 2xii s GLY 317 CO 0.40 0.39 1.90 2.98 0.00 0.00 0.00 173.10 178.78 2xii n TYR 318 N -3.47 2.45 -4.73 1.90 9.36 -1.25 -4.55 117.16 116.87 2xii n TYR 318 Ca 0.08 -0.18 -0.33 0.00 3.32 0.00 0.00 57.90 60.79 2xii n TYR 318 Cb 0.55 -2.73 -0.13 0.00 -0.63 0.00 0.00 39.34 36.39 2xii n TYR 318 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2xii s HIS 319 N 3.89 2.83 0.18 2.98 5.65 -1.26 -4.24 115.29 125.33 2xii s HIS 319 Ca 0.89 -0.42 0.29 0.00 0.25 0.00 0.00 55.06 56.07 2xii s HIS 319 Cb -0.55 -1.80 1.25 0.00 -1.18 0.00 0.00 32.58 30.30 2xii s HIS 319 CO 0.45 -0.04 1.95 1.57 -0.65 0.00 0.00 174.74 178.01 2xii h LYS 320 N 6.27 0.00 -3.20 2.88 2.10 -0.61 -3.40 116.57 120.61 2xii h LYS 320 Ca -0.33 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.69 2xii h LYS 320 Cb 1.19 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.12 2xii h LYS 320 CO 0.55 0.11 -0.67 0.34 -2.00 0.00 0.00 179.45 177.78 2xii s ASP 321 N -5.93 4.05 0.00 7.07 -1.08 -1.26 -4.95 116.67 114.57 2xii s ASP 321 Ca 0.00 -2.92 0.22 0.00 -0.52 0.00 0.00 52.55 49.33 2xii s ASP 321 Cb 0.10 -1.39 1.30 0.00 -1.46 0.00 0.00 42.92 41.47 2xii s ASP 321 CO 0.58 -0.23 1.84 0.79 0.52 0.00 0.00 175.17 178.67 2xii n TRP 322 N 3.19 0.01 1.23 -5.34 7.02 -1.26 -3.28 117.44 119.01 2xii n TRP 322 Ca 0.08 -0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.70 2xii n TRP 322 Cb 0.33 0.00 0.69 0.00 -2.42 0.00 0.00 31.31 29.92 2xii n TRP 322 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2xii n SER 323 N -0.81 0.00 0.10 -0.99 3.41 -1.26 -3.86 113.62 110.21 2xii n SER 323 Ca 0.17 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 59.04 2xii n SER 323 Cb 0.08 -0.38 0.42 0.00 -0.26 0.00 0.00 64.21 64.07 2xii n SER 323 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2xii n LEU 324 N -1.38 0.78 -4.08 1.04 4.77 -1.20 -4.87 117.00 112.06 2xii n LEU 324 Ca 0.11 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.56 2xii n LEU 324 Cb 0.28 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2xii n LEU 324 CO 0.24 -0.17 0.03 -0.94 -1.33 0.00 0.00 177.39 175.22 2xii s SER 325 N -4.46 0.03 0.21 -1.43 1.04 -1.25 -5.11 113.70 102.73 2xii s SER 325 Ca 0.11 -1.12 -0.30 0.00 0.48 0.00 0.00 55.95 55.12 2xii s SER 325 Cb 0.13 0.52 -0.09 0.00 0.10 0.00 0.00 66.02 66.67 2xii s SER 325 CO 0.59 -1.04 1.28 -0.47 0.98 0.00 0.00 173.24 174.58 2xii s TYR 326 N -4.03 3.29 -0.25 5.02 5.04 -1.26 -4.82 117.35 120.33 2xii s TYR 326 Ca 0.29 1.29 -0.06 0.00 -2.44 0.00 0.00 57.07 56.15 2xii s TYR 326 Cb 0.02 -3.56 -0.01 0.00 0.35 0.00 0.00 41.96 38.76 2xii s TYR 326 CO 0.11 -1.68 0.04 0.08 -1.34 0.00 0.00 175.55 172.76 2xii s VAL 327 N -0.05 4.00 0.48 3.14 1.01 -1.26 -2.03 120.40 125.69 2xii s VAL 327 Ca 0.55 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 2xii s VAL 327 Cb -0.36 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 2xii s VAL 327 CO 0.39 0.30 1.22 -0.54 0.00 0.00 0.00 175.10 176.47 2xii s LYS 328 N 1.56 3.60 0.56 2.72 1.02 -0.36 -4.97 119.74 123.86 2xii s LYS 328 Ca 0.05 1.92 -0.06 0.00 0.02 0.00 0.00 55.97 57.90 2xii s LYS 328 Cb -0.15 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2xii s LYS 328 CO 0.02 -0.72 0.88 0.95 -0.92 0.00 0.00 175.35 175.55 2xii s THR 329 N -1.47 4.08 0.27 2.17 -4.23 -1.26 -4.94 115.64 110.26 2xii s THR 329 Ca 0.65 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.27 2xii s THR 329 Cb -0.32 -3.60 0.27 0.00 1.34 0.00 0.00 72.50 70.19 2xii s THR 329 CO 0.39 -0.62 1.89 -0.65 -0.54 0.00 0.00 174.62 175.09 2xii h PRO 330 N -0.08 1.14 -0.03 3.99 0.11 -1.96 -1.73 132.00 133.43 2xii h PRO 330 Ca -0.46 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2xii h PRO 330 Cb 1.24 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2xii h PRO 330 CO 0.61 0.75 -0.33 0.82 -0.21 0.00 0.00 178.00 179.64 2xii h ILE 331 N 1.17 1.25 -0.29 4.15 2.04 -1.98 0.14 117.51 124.00 2xii h ILE 331 Ca 0.42 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 2xii h ILE 331 Cb 0.15 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2xii h ILE 331 CO -0.16 0.35 -0.29 -0.33 0.00 0.00 0.00 178.15 177.71 2xii h GLU 332 N 0.06 0.59 -0.14 2.37 5.08 -1.76 0.41 114.58 121.19 2xii h GLU 332 Ca 0.01 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 2xii h GLU 332 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2xii h GLU 332 CO 0.05 0.82 -0.27 0.28 -1.00 0.00 0.00 179.01 178.89 2xii h VAL 333 N 0.51 1.37 -1.00 3.13 2.07 -0.57 -2.95 116.25 118.81 2xii h VAL 333 Ca 0.06 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.08 2xii h VAL 333 Cb 0.77 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 2xii h VAL 333 CO 0.06 0.45 0.66 0.40 0.02 0.00 0.00 177.57 179.16 2xii h ILE 334 N 0.02 1.20 -0.56 4.57 2.04 -0.56 -1.20 117.51 123.03 2xii h ILE 334 Ca 0.01 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.48 2xii h ILE 334 Cb 0.86 -0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2xii h ILE 334 CO 0.06 0.24 0.27 -0.78 0.00 0.00 0.00 178.15 177.93 2xii h ASP 335 N 1.30 0.36 -0.54 1.72 3.58 -0.91 -1.43 116.42 120.49 2xii h ASP 335 Ca 0.39 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.80 2xii h ASP 335 Cb -0.06 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2xii h ASP 335 CO -0.11 0.24 0.07 0.03 -2.88 0.00 0.00 179.24 176.58 2xii h ARG 336 N 0.50 0.96 -0.19 0.28 3.08 -1.17 -0.67 114.38 117.17 2xii h ARG 336 Ca 0.26 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2xii h ARG 336 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2xii h ARG 336 CO -0.20 0.90 0.12 0.82 -1.07 0.00 0.00 179.97 180.54 2xii h ILE 337 N 0.90 1.08 -0.22 2.04 2.04 -0.90 -1.72 117.51 120.73 2xii h ILE 337 Ca 0.18 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 2xii h ILE 337 Cb 0.43 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2xii h ILE 337 CO 0.01 0.08 -0.38 0.58 0.00 0.00 0.00 178.15 178.43 2xii h VAL 338 N 0.23 1.30 -0.39 1.67 2.07 -1.19 -2.32 116.25 117.62 2xii h VAL 338 Ca 0.07 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.07 2xii h VAL 338 Cb 0.02 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2xii h VAL 338 CO -0.01 0.48 0.24 -0.74 0.02 0.00 0.00 177.57 177.56 2xii h HIS 339 N 0.41 0.46 -0.11 1.57 -0.00 -0.96 0.25 115.15 116.77 2xii h HIS 339 Ca 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2xii h HIS 339 Cb 0.86 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 28.11 2xii h HIS 339 CO 0.03 0.28 0.02 0.00 -0.00 0.00 0.00 177.93 178.26 2xii h ALA 340 N 1.16 0.15 -0.94 5.26 0.00 -1.05 -2.92 119.26 120.93 2xii h ALA 340 Ca 0.15 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2xii h ALA 340 Cb -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2xii h ALA 340 CO -0.05 -0.20 0.61 0.28 0.00 0.00 0.00 179.25 179.88 2xii h VAL 341 N -0.04 1.18 -0.00 0.00 2.07 -1.09 0.84 116.25 119.21 2xii h VAL 341 Ca 0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2xii h VAL 341 Cb 0.29 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2xii h VAL 341 CO 0.00 0.22 0.01 0.77 0.02 0.00 0.00 177.57 178.60 2xii h SER 342 N 1.21 0.00 -0.23 0.57 4.64 -0.76 -0.58 113.55 118.40 2xii h SER 342 Ca 0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 2xii h SER 342 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2xii h SER 342 CO -0.11 0.00 -0.00 0.23 -0.87 0.00 0.00 176.83 176.08 2xii n MET 343 N -3.23 2.62 -1.23 4.77 2.81 -0.69 -4.08 117.12 118.09 2xii n MET 343 Ca -0.03 -2.83 0.00 0.00 -1.81 0.00 0.00 57.70 53.03 2xii n MET 343 Cb 0.08 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 2xii n MET 343 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2xii n GLY 344 N -0.69 0.43 3.51 3.03 0.00 -0.22 -4.16 105.19 107.09 2xii n GLY 344 Ca 0.21 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 2xii n GLY 344 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xii s GLY 345 N -2.94 1.71 0.59 -0.02 0.00 0.21 -4.34 107.32 102.52 2xii s GLY 345 Ca 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 44.72 43.24 2xii s GLY 345 CO 0.00 -1.39 0.94 -1.31 0.00 0.00 0.00 173.10 171.34 2xii s ASN 346 N -2.35 5.90 -0.02 1.64 -0.87 -0.53 -2.46 114.94 116.25 2xii s ASN 346 Ca 0.20 1.01 0.02 0.00 -1.57 0.00 0.00 52.86 52.52 2xii s ASN 346 Cb -0.10 -2.08 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 2xii s ASN 346 CO 0.11 -0.93 -0.05 -0.32 -2.57 0.00 0.00 177.10 173.34 2xii s MET 347 N -5.03 0.57 -0.18 -0.60 -2.45 -0.31 -0.81 119.30 110.49 2xii s MET 347 Ca 0.53 -0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.82 2xii s MET 347 Cb -0.11 -0.57 0.02 0.00 1.25 0.00 0.00 34.83 35.42 2xii s MET 347 CO 0.48 0.05 -0.19 0.08 1.05 0.00 0.00 175.02 176.50 2xii s VAL 348 N 0.24 2.18 -0.23 10.11 1.01 -0.06 -1.20 120.40 132.45 2xii s VAL 348 Ca -0.03 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2xii s VAL 348 Cb -0.07 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2xii s VAL 348 CO -0.00 0.53 0.15 -0.69 0.00 0.00 0.00 175.10 175.09 2xii s VAL 349 N 1.23 5.32 0.19 2.92 1.01 -0.49 -1.19 120.40 129.38 2xii s VAL 349 Ca 0.03 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 2xii s VAL 349 Cb -0.13 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2xii s VAL 349 CO -0.11 0.37 0.68 0.21 0.00 0.00 0.00 175.10 176.25 2xii s ASN 350 N 0.88 7.03 -0.01 3.32 2.47 -0.55 -0.74 114.94 127.34 2xii s ASN 350 Ca 0.07 1.35 0.05 0.00 0.42 0.00 0.00 52.86 54.75 2xii s ASN 350 Cb -0.13 -2.39 -0.01 0.00 -1.45 0.00 0.00 41.25 37.27 2xii s ASN 350 CO 0.03 0.08 -0.16 -0.36 -3.72 0.00 0.00 177.10 172.96 2xii s PHE 351 N -1.45 1.49 -0.53 0.43 0.08 0.94 -4.52 117.98 114.42 2xii s PHE 351 Ca 0.40 -0.29 0.04 0.00 0.12 0.00 0.00 56.93 57.20 2xii s PHE 351 Cb -0.17 -0.96 0.13 0.00 -0.57 0.00 0.00 43.02 41.45 2xii s PHE 351 CO 0.21 -0.03 0.27 0.20 -0.10 0.00 0.00 175.22 175.76 2xii s GLY 352 N -0.36 2.44 0.69 4.36 0.00 -1.24 -1.68 107.32 111.52 2xii s GLY 352 Ca 0.06 -3.28 -0.17 0.00 0.00 0.00 0.00 44.72 41.33 2xii s GLY 352 CO -0.00 1.04 1.24 -1.05 0.00 0.00 0.00 173.10 174.32 2xii n PRO 353 N 3.06 0.85 -1.16 2.90 -0.02 -1.25 -3.97 135.00 135.42 2xii n PRO 353 Ca 0.06 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 2xii n PRO 353 Cb 0.32 -2.48 0.11 0.00 -0.02 0.00 0.00 33.50 31.44 2xii n PRO 353 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2xii s GLN 354 N -3.51 1.89 0.52 -0.52 -0.21 -0.12 -4.43 119.66 113.29 2xii s GLN 354 Ca 0.80 1.41 0.19 0.00 0.02 0.00 0.00 55.36 57.78 2xii s GLN 354 Cb -0.36 -1.84 1.30 0.00 1.00 0.00 0.00 33.01 33.12 2xii s GLN 354 CO 0.43 -1.95 2.10 0.00 -2.12 0.00 0.00 175.29 173.76 2xii h ALA 355 N -1.11 2.14 -0.00 6.09 0.00 -1.86 -1.88 119.26 122.64 2xii h ALA 355 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2xii h ALA 355 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2xii h ALA 355 CO 0.48 -0.19 -0.01 -0.40 0.00 0.00 0.00 179.25 179.14 2xii n ASP 356 N -4.49 0.01 0.00 0.00 5.68 -1.26 -3.91 116.55 112.58 2xii n ASP 356 Ca 0.01 0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 2xii n ASP 356 Cb 0.24 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 2xii n ASP 356 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2xii n GLY 357 N 1.48 0.80 3.90 6.12 0.00 -0.71 -0.67 105.19 116.11 2xii n GLY 357 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2xii n GLY 357 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2xii s ASP 358 N -2.34 5.27 -0.10 1.61 -1.08 -1.26 -3.88 116.67 114.88 2xii s ASP 358 Ca 0.00 -0.60 -0.08 0.00 -0.52 0.00 0.00 52.55 51.35 2xii s ASP 358 Cb 0.00 -0.72 -0.04 0.00 -1.46 0.00 0.00 42.92 40.70 2xii s ASP 358 CO 0.00 -0.59 0.18 -0.36 0.52 0.00 0.00 175.17 174.92 2xii s PHE 359 N -2.39 3.62 0.84 -5.34 0.08 -1.26 -0.94 117.98 112.58 2xii s PHE 359 Ca 0.47 0.59 -0.12 0.00 0.12 0.00 0.00 56.93 57.99 2xii s PHE 359 Cb -0.05 -1.99 0.10 0.00 -0.57 0.00 0.00 43.02 40.50 2xii s PHE 359 CO 0.29 0.72 1.15 2.89 -0.10 0.00 0.00 175.22 180.17 2xii n ARG 360 N 1.98 -0.00 -0.28 0.44 1.85 -1.26 -4.74 116.66 114.64 2xii n ARG 360 Ca -0.19 0.08 0.02 0.00 -1.00 0.00 0.00 57.85 56.76 2xii n ARG 360 Cb 0.55 -2.39 0.15 0.00 -1.05 0.00 0.00 32.46 29.72 2xii n ARG 360 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2xii h PRO 361 N -1.18 0.77 -0.73 2.89 0.11 -1.99 -1.61 132.00 130.25 2xii h PRO 361 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2xii h PRO 361 Cb 1.29 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2xii h PRO 361 CO 0.44 0.51 0.44 0.93 -0.21 0.00 0.00 178.00 180.11 2xii h GLU 362 N 0.80 0.99 0.01 1.05 3.07 -1.99 -1.15 114.58 117.36 2xii h GLU 362 Ca 0.38 -0.08 -0.22 0.00 -0.50 0.00 0.00 59.36 58.93 2xii h GLU 362 Cb 0.31 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2xii h GLU 362 CO -0.23 0.69 -0.95 0.93 -1.40 0.00 0.00 179.01 178.06 2xii h GLU 363 N 1.01 0.33 -0.62 2.33 5.08 -1.71 -1.07 114.58 119.93 2xii h GLU 363 Ca 0.26 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2xii h GLU 363 Cb -0.04 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2xii h GLU 363 CO -0.05 1.07 0.10 0.87 -1.00 0.00 0.00 179.01 180.00 2xii h LYS 364 N 0.18 1.01 -0.33 2.33 1.57 -0.83 -1.02 116.57 119.48 2xii h LYS 364 Ca -0.07 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 2xii h LYS 364 Cb 1.59 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 2xii h LYS 364 CO 0.16 0.93 0.04 0.00 -0.57 0.00 0.00 179.45 180.01 2xii h ALA 365 N 1.15 0.44 0.11 3.86 0.00 -1.19 -1.82 119.26 121.81 2xii h ALA 365 Ca 0.19 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2xii h ALA 365 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2xii h ALA 365 CO 0.01 0.15 -0.25 1.98 0.00 0.00 0.00 179.25 181.14 2xii h MET 366 N 0.38 -0.43 -0.70 0.00 1.85 -0.97 0.18 114.93 115.25 2xii h MET 366 Ca 0.10 0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.23 2xii h MET 366 Cb 0.37 0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.46 2xii h MET 366 CO 0.01 -0.29 0.46 0.00 -0.40 0.00 0.00 176.91 176.70 2xii h ALA 367 N 0.32 0.89 -0.48 0.39 0.00 -1.15 -0.97 119.26 118.26 2xii h ALA 367 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2xii h ALA 367 Cb 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2xii h ALA 367 CO -0.15 0.31 0.20 1.15 0.00 0.00 0.00 179.25 180.76 2xii h THR 368 N 0.95 1.20 -0.29 0.00 2.02 -1.04 -1.90 112.91 113.85 2xii h THR 368 Ca 0.26 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2xii h THR 368 Cb -0.10 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2xii h THR 368 CO -0.06 0.24 0.01 0.00 0.37 0.00 0.00 175.52 176.08 2xii h ALA 369 N 1.04 0.39 -0.72 6.16 0.00 -0.57 -1.71 119.26 123.85 2xii h ALA 369 Ca 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2xii h ALA 369 Cb 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2xii h ALA 369 CO -0.01 0.12 0.48 0.82 0.00 0.00 0.00 179.25 180.66 2xii h ILE 370 N 0.30 1.18 -0.73 0.00 2.04 -1.18 -2.75 117.51 116.37 2xii h ILE 370 Ca 0.08 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2xii h ILE 370 Cb 0.41 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2xii h ILE 370 CO 0.01 0.18 0.32 1.23 0.00 0.00 0.00 178.15 179.90 2xii h GLY 371 N 0.98 1.15 0.93 5.37 0.00 -1.17 0.89 103.07 111.21 2xii h GLY 371 Ca 0.27 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 47.02 2xii h GLY 371 CO -0.06 0.56 0.43 0.50 0.00 0.00 0.00 176.54 177.98 2xii h LYS 372 N 1.04 0.84 -0.14 4.80 1.57 -1.15 -0.69 116.57 122.85 2xii h LYS 372 Ca 0.25 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2xii h LYS 372 Cb 0.16 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2xii h LYS 372 CO -0.03 0.56 -0.20 2.35 -0.57 0.00 0.00 179.45 181.57 2xii h TRP 373 N 0.87 0.46 -0.23 -1.35 7.01 -1.16 -3.08 115.95 118.47 2xii h TRP 373 Ca 0.26 -0.15 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 2xii h TRP 373 Cb -0.04 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 2xii h TRP 373 CO -0.04 0.81 -0.09 0.52 -2.79 0.00 0.00 178.44 176.85 2xii h MET 374 N -0.02 0.36 -0.65 2.65 2.86 -0.68 0.12 114.93 119.57 2xii h MET 374 Ca 0.01 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2xii h MET 374 Cb 0.76 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 2xii h MET 374 CO 0.05 0.47 0.43 -0.97 1.06 0.00 0.00 176.91 177.95 2xii h ASN 375 N 0.35 0.63 0.11 1.22 -1.24 -1.04 0.25 115.58 115.86 2xii h ASN 375 Ca 0.07 -0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.79 2xii h ASN 375 Cb 0.38 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2xii h ASN 375 CO 0.02 0.42 -1.51 -0.09 -1.29 0.00 0.00 177.43 174.98 2xii h ARG 376 N 0.72 0.24 -0.06 6.67 2.43 -1.29 -3.42 114.38 119.68 2xii h ARG 376 Ca 0.27 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2xii h ARG 376 Cb 0.17 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2xii h ARG 376 CO -0.08 1.20 0.00 0.66 -1.51 0.00 0.00 179.97 180.24 2xii n TYR 377 N -3.87 0.07 0.06 2.20 4.01 0.34 -4.70 117.16 115.27 2xii n TYR 377 Ca -0.26 -0.21 0.20 0.00 -0.16 0.00 0.00 57.90 57.47 2xii n TYR 377 Cb 0.92 -0.02 0.74 0.00 -0.31 0.00 0.00 39.34 40.67 2xii n TYR 377 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2xii h GLY 378 N 0.76 0.00 1.53 2.72 0.00 -0.66 -1.40 103.07 106.02 2xii h GLY 378 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2xii h GLY 378 CO 0.00 0.00 0.17 1.70 0.00 0.00 0.00 176.54 178.41 2xii h LYS 379 N 0.00 0.00 -0.01 4.80 3.64 -1.84 0.56 116.57 123.72 2xii h LYS 379 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2xii h LYS 379 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2xii h LYS 379 CO -0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.15 2xii n ALA 380 N -2.54 2.66 0.01 5.00 0.00 -0.53 -4.41 120.51 120.70 2xii n ALA 380 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 2xii n ALA 380 Cb 0.32 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 2xii n ALA 380 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2xii n VAL 381 N -0.58 1.20 -1.71 0.00 0.31 0.06 -4.80 118.33 112.81 2xii n VAL 381 Ca 0.20 0.32 -0.43 0.00 -0.01 0.00 0.00 64.34 64.42 2xii n VAL 381 Cb 0.23 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 2xii n VAL 381 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2xii n TYR 382 N -3.66 2.69 -1.66 3.52 4.01 -0.42 -2.09 117.16 119.54 2xii n TYR 382 Ca -0.04 0.02 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 2xii n TYR 382 Cb 0.14 -2.67 -0.06 0.00 -0.31 0.00 0.00 39.34 36.43 2xii n TYR 382 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2xii n ALA 383 N 4.24 -0.32 -2.34 -0.72 0.00 0.02 -4.89 120.51 116.50 2xii n ALA 383 Ca 0.17 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 2xii n ALA 383 Cb 0.35 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 2xii n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xii s ASP 385 N -4.12 0.15 0.18 0.00 -1.08 -0.02 -4.91 116.67 106.89 2xii s ASP 385 Ca 0.46 -1.13 -0.33 0.00 -0.52 0.00 0.00 52.55 51.03 2xii s ASP 385 Cb -0.06 0.78 -0.14 0.00 -1.46 0.00 0.00 42.92 42.03 2xii s ASP 385 CO 0.29 -1.52 1.48 0.00 0.52 0.00 0.00 175.17 175.93 2xii n TYR 386 N -0.52 2.14 0.21 -5.34 9.36 -1.24 -0.27 117.16 121.49 2xii n TYR 386 Ca -0.05 0.38 0.11 0.00 3.32 0.00 0.00 57.90 61.65 2xii n TYR 386 Cb 0.60 -2.48 -0.07 0.00 -0.63 0.00 0.00 39.34 36.76 2xii n TYR 386 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2xii n ALA 387 N 2.70 2.95 -1.24 2.98 0.00 -1.26 -4.61 120.51 122.03 2xii n ALA 387 Ca 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 2xii n ALA 387 Cb 0.29 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 2xii n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xii n GLY 388 N 1.27 0.60 3.71 0.00 0.00 -1.26 -4.99 105.19 104.52 2xii n GLY 388 Ca -0.01 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2xii n GLY 388 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2xii s PHE 389 N -2.14 3.09 0.25 1.61 0.40 -1.26 -4.72 117.98 115.20 2xii s PHE 389 Ca 0.00 0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.08 2xii s PHE 389 Cb 0.00 -1.61 -0.11 0.00 0.51 0.00 0.00 43.02 41.81 2xii s PHE 389 CO 0.00 0.49 1.52 -1.21 0.70 0.00 0.00 175.22 176.72 2xii s GLU 390 N -2.04 4.20 0.26 0.44 2.02 -1.26 -4.93 118.70 117.39 2xii s GLU 390 Ca 0.24 2.42 -0.31 0.00 0.02 0.00 0.00 54.97 57.34 2xii s GLU 390 Cb -0.12 -3.09 -0.13 0.00 0.10 0.00 0.00 34.13 30.90 2xii s GLU 390 CO 0.16 -0.53 1.48 1.17 0.02 0.00 0.00 175.26 177.55 2xii n LYS 391 N 2.60 2.27 -4.43 1.61 3.00 -1.26 -4.85 118.16 117.11 2xii n LYS 391 Ca 0.09 0.81 -0.25 0.00 -0.00 0.00 0.00 58.31 58.96 2xii n LYS 391 Cb 0.39 -2.51 -0.09 0.00 0.00 0.00 0.00 35.03 32.81 2xii n LYS 391 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2xii s GLN 392 N -0.43 1.90 0.48 1.64 -1.52 -1.26 -5.06 119.66 115.42 2xii s GLN 392 Ca 0.67 -1.76 0.26 0.00 -1.95 0.00 0.00 55.36 52.57 2xii s GLN 392 Cb -0.59 -1.85 1.21 0.00 -0.22 0.00 0.00 33.01 31.56 2xii s GLN 392 CO 0.49 0.23 1.96 -0.44 -0.25 0.00 0.00 175.29 177.29 2xii h ASP 393 N 2.03 0.00 0.78 5.90 3.32 -1.96 -3.15 116.42 123.35 2xii h ASP 393 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2xii h ASP 393 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2xii h ASP 393 CO 0.65 0.18 0.00 -2.67 -1.72 0.00 0.00 179.24 175.67 2xii n TRP 394 N -3.55 0.10 0.00 4.55 4.27 -1.26 -4.67 117.44 116.89 2xii n TRP 394 Ca -0.01 0.04 0.00 0.00 -3.89 0.00 0.00 57.50 53.64 2xii n TRP 394 Cb 0.32 -0.56 0.00 0.00 -1.36 0.00 0.00 31.31 29.72 2xii n TRP 394 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2xii n GLY 395 N 0.72 0.28 3.14 -1.67 0.00 -1.19 -0.11 105.19 106.35 2xii n GLY 395 Ca 0.05 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 2xii n GLY 395 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2xii s TYR 396 N -4.00 1.08 -0.01 1.61 2.02 -0.31 -4.40 117.35 113.35 2xii s TYR 396 Ca 0.00 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 56.21 2xii s TYR 396 Cb 0.00 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 2xii s TYR 396 CO 0.00 0.02 0.23 0.71 -1.57 0.00 0.00 175.55 174.95 2xii s TYR 397 N -1.18 3.58 0.11 2.71 2.02 -1.26 -0.12 117.35 123.21 2xii s TYR 397 Ca -0.03 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.22 2xii s TYR 397 Cb -0.09 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2xii s TYR 397 CO 0.02 0.64 -0.09 0.95 -1.57 0.00 0.00 175.55 175.49 2xii s THR 398 N -1.27 0.92 -0.14 -0.71 -4.23 -0.22 -4.47 115.64 105.52 2xii s THR 398 Ca 0.26 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 2xii s THR 398 Cb -0.13 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.09 2xii s THR 398 CO 0.15 -0.73 -0.20 -0.60 -0.54 0.00 0.00 174.62 172.70 2xii s ARG 399 N -3.47 3.09 0.85 3.99 3.52 0.62 -0.21 118.95 127.35 2xii s ARG 399 Ca 0.11 -0.82 -0.10 0.00 -0.13 0.00 0.00 55.73 54.79 2xii s ARG 399 Cb 0.02 -2.49 0.16 0.00 -1.56 0.00 0.00 34.95 31.08 2xii s ARG 399 CO -0.02 0.01 1.18 0.20 -0.81 0.00 0.00 175.30 175.86 2xii s GLY 400 N 0.77 1.76 0.48 8.12 0.00 -0.35 -0.84 107.32 117.27 2xii s GLY 400 Ca -0.07 -1.37 0.17 0.00 0.00 0.00 0.00 44.72 43.45 2xii s GLY 400 CO -0.00 -0.70 2.04 0.50 0.00 0.00 0.00 173.10 174.94 2xii h LYS 401 N -1.15 0.00 -0.48 2.90 1.79 -1.89 -2.55 116.57 115.20 2xii h LYS 401 Ca -0.41 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.04 2xii h LYS 401 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2xii h LYS 401 CO 0.41 0.14 0.02 0.09 -1.08 0.00 0.00 179.45 179.02 2xii n ASN 402 N -4.25 5.01 -0.49 0.86 5.03 -1.26 -4.92 115.26 115.24 2xii n ASN 402 Ca -0.03 -3.00 -0.06 0.00 0.87 0.00 0.00 54.58 52.36 2xii n ASN 402 Cb 0.21 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.30 2xii n ASN 402 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2xii n ASP 403 N 0.15 -3.53 -4.72 6.41 8.00 -0.96 -5.01 116.55 116.89 2xii n ASP 403 Ca 0.27 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.48 2xii n ASP 403 Cb 1.11 -1.75 0.01 0.00 -0.02 0.00 0.00 41.12 40.47 2xii n ASP 403 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2xii n GLU 404 N -2.64 2.05 -4.02 -1.24 4.71 -1.26 -4.65 120.64 113.59 2xii n GLU 404 Ca -0.06 0.73 -0.34 0.00 -0.01 0.00 0.00 57.16 57.48 2xii n GLU 404 Cb 0.25 -2.44 -0.15 0.00 -1.01 0.00 0.00 31.44 28.08 2xii n GLU 404 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2xii s VAL 405 N -1.18 2.60 -0.15 2.62 1.01 -1.05 -1.21 120.40 123.04 2xii s VAL 405 Ca 0.60 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2xii s VAL 405 Cb -0.50 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2xii s VAL 405 CO 0.59 0.30 0.26 -0.31 0.00 0.00 0.00 175.10 175.93 2xii s TYR 406 N 1.30 3.49 -0.29 5.22 2.02 0.71 0.31 117.35 130.12 2xii s TYR 406 Ca 0.01 0.57 -0.14 0.00 -0.37 0.00 0.00 57.07 57.15 2xii s TYR 406 Cb -0.16 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2xii s TYR 406 CO -0.07 0.33 0.30 -1.64 -1.57 0.00 0.00 175.55 172.91 2xii s MET 407 N 0.16 3.89 -0.41 -0.62 -1.94 0.89 -1.05 119.30 120.22 2xii s MET 407 Ca 0.15 -0.19 -0.09 0.00 -1.71 0.00 0.00 55.69 53.85 2xii s MET 407 Cb -0.13 -3.69 0.07 0.00 2.01 0.00 0.00 34.83 33.09 2xii s MET 407 CO 0.04 -0.30 0.25 0.08 -0.01 0.00 0.00 175.02 175.07 2xii s VAL 408 N 1.94 4.27 -0.31 -6.03 1.01 0.83 -0.83 120.40 121.28 2xii s VAL 408 Ca 0.11 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.60 2xii s VAL 408 Cb -0.16 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2xii s VAL 408 CO 0.11 -0.46 0.50 -0.69 0.00 0.00 0.00 175.10 174.56 2xii s VAL 409 N 1.44 5.05 -0.10 2.92 1.01 0.48 -1.16 120.40 130.04 2xii s VAL 409 Ca 0.03 0.56 0.14 0.00 0.00 0.00 0.00 61.98 62.70 2xii s VAL 409 Cb -0.22 -3.89 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 2xii s VAL 409 CO 0.03 -0.08 0.16 0.49 0.00 0.00 0.00 175.10 175.70 2xii n PHE 410 N 5.64 0.00 -3.88 5.22 3.72 0.84 -1.95 117.46 127.05 2xii n PHE 410 Ca -0.05 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.05 2xii n PHE 410 Cb 0.49 -0.59 -0.15 0.00 -0.94 0.00 0.00 39.48 38.29 2xii n PHE 410 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2xii s ASN 411 N -4.43 3.90 -0.28 4.37 0.01 -0.46 -4.89 114.94 113.16 2xii s ASN 411 Ca -0.07 -1.37 -0.26 0.00 -0.71 0.00 0.00 52.86 50.45 2xii s ASN 411 Cb 0.06 -1.10 0.00 0.00 0.41 0.00 0.00 41.25 40.63 2xii s ASN 411 CO 0.62 -0.31 0.91 -1.58 -1.51 0.00 0.00 177.10 175.23 2xii s GLN 412 N 1.43 4.10 0.03 -0.60 2.00 -1.26 -4.46 119.66 120.90 2xii s GLN 412 Ca 0.01 0.93 -0.30 0.00 -2.00 0.00 0.00 55.36 54.00 2xii s GLN 412 Cb -0.18 -3.69 -0.06 0.00 0.80 0.00 0.00 33.01 29.88 2xii s GLN 412 CO -0.11 -0.67 1.29 -1.25 -0.50 0.00 0.00 175.29 174.05 2xii s PRO 413 N 3.12 4.36 0.61 1.67 0.04 -1.26 -4.90 135.00 138.63 2xii s PRO 413 Ca 0.38 1.86 0.32 0.00 0.04 0.00 0.00 61.00 63.60 2xii s PRO 413 Cb -0.14 -3.43 1.85 0.00 0.04 0.00 0.00 34.50 32.82 2xii s PRO 413 CO 0.10 -0.41 2.19 1.88 0.04 0.00 0.00 177.00 180.80 2xii h TYR 414 N 7.21 0.00 0.00 0.56 0.05 -1.94 -1.72 116.97 121.13 2xii h TYR 414 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2xii h TYR 414 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 2xii h TYR 414 CO 0.70 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 176.68 2xii n SER 415 N -3.61 0.66 -0.40 3.88 3.41 -1.26 -4.88 113.62 111.42 2xii n SER 415 Ca -0.01 0.72 -0.05 0.00 -0.26 0.00 0.00 58.87 59.27 2xii n SER 415 Cb 0.21 -0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 63.30 2xii n SER 415 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2xii n GLU 416 N -2.29 -0.93 -4.33 4.33 1.02 -0.65 -4.97 120.64 112.83 2xii n GLU 416 Ca 0.01 0.56 -0.21 0.00 -0.02 0.00 0.00 57.16 57.49 2xii n GLU 416 Cb 0.15 -4.43 -0.16 0.00 -0.02 0.00 0.00 31.44 26.97 2xii n GLU 416 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2xii s ARG 417 N -1.93 1.07 -0.29 3.49 0.52 -1.26 -1.69 118.95 118.86 2xii s ARG 417 Ca 0.00 -0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 2xii s ARG 417 Cb 0.00 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.46 2xii s ARG 417 CO 0.00 -0.01 0.15 -0.51 0.02 0.00 0.00 175.30 174.95 2xii s LEU 418 N 0.67 3.93 -0.02 2.53 1.43 0.12 -4.79 118.68 122.55 2xii s LEU 418 Ca -0.11 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 2xii s LEU 418 Cb -0.13 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2xii s LEU 418 CO 0.01 -0.12 1.07 -0.63 0.23 0.00 0.00 176.35 176.91 2xii s ILE 419 N 1.66 4.58 -0.20 -0.59 1.01 -1.26 -0.56 121.20 125.84 2xii s ILE 419 Ca 0.06 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.58 2xii s ILE 419 Cb -0.16 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.15 2xii s ILE 419 CO 0.07 0.09 -0.15 -0.69 0.00 0.00 0.00 174.94 174.26 2xii s VAL 420 N 1.46 1.91 -0.25 2.92 1.01 -0.23 -4.91 120.40 122.30 2xii s VAL 420 Ca 0.53 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 2xii s VAL 420 Cb -0.23 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2xii s VAL 420 CO 0.25 0.30 0.13 -0.75 0.00 0.00 0.00 175.10 175.03 2xii s LYS 421 N 1.30 3.89 0.20 2.72 2.20 -1.26 -0.19 119.74 128.59 2xii s LYS 421 Ca 0.00 -0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 55.18 2xii s LYS 421 Cb -0.15 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 2xii s LYS 421 CO -0.10 -0.09 0.48 0.95 -0.36 0.00 0.00 175.35 176.24 2xii s THR 422 N 1.43 5.04 0.89 3.43 -4.23 0.30 -4.34 115.64 118.16 2xii s THR 422 Ca 0.06 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 2xii s THR 422 Cb -0.15 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.19 2xii s THR 422 CO 0.06 -0.05 1.09 -2.84 -0.54 0.00 0.00 174.62 172.35 2xii s PRO 423 N -2.82 1.26 -0.00 3.99 0.02 -1.26 -4.89 135.00 131.30 2xii s PRO 423 Ca 0.44 0.99 -0.38 0.00 0.02 0.00 0.00 61.00 62.07 2xii s PRO 423 Cb -0.12 -1.80 -0.17 0.00 0.02 0.00 0.00 34.50 32.44 2xii s PRO 423 CO 0.23 -2.29 1.39 0.36 -0.33 0.00 0.00 177.00 176.36 2xii n LYS 424 N -3.94 0.99 -0.96 5.54 0.00 -1.26 -1.68 118.16 116.85 2xii n LYS 424 Ca 0.08 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 2xii n LYS 424 Cb 0.54 -1.99 0.00 0.00 -0.00 0.00 0.00 35.03 33.58 2xii n LYS 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2xii n GLY 425 N 2.73 0.61 3.56 2.58 0.00 -1.26 -4.94 105.19 108.47 2xii n GLY 425 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2xii n GLY 425 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xii s ILE 426 N -2.59 4.37 0.15 -0.61 -1.09 -0.68 -1.24 121.20 119.51 2xii s ILE 426 Ca 0.00 -0.18 0.10 0.00 -2.23 0.00 0.00 60.65 58.33 2xii s ILE 426 Cb 0.00 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 2xii s ILE 426 CO 0.00 0.47 -0.19 0.42 -1.23 0.00 0.00 174.94 174.40 2xii s THR 427 N 0.44 2.69 -0.26 2.92 -4.23 -0.48 -4.68 115.64 112.04 2xii s THR 427 Ca 0.00 -1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 2xii s THR 427 Cb -0.13 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 2xii s THR 427 CO 0.02 0.02 0.23 -0.69 -0.54 0.00 0.00 174.62 173.65 2xii s VAL 428 N -1.34 5.29 -0.18 2.29 1.01 -1.26 -1.22 120.40 124.99 2xii s VAL 428 Ca 0.19 0.29 0.18 0.00 0.00 0.00 0.00 61.98 62.64 2xii s VAL 428 Cb -0.10 -3.57 -0.25 0.00 0.00 0.00 0.00 36.38 32.46 2xii s VAL 428 CO 0.10 0.26 0.13 -0.62 0.00 0.00 0.00 175.10 174.96 2xii n GLU 429 N 4.88 0.69 -3.51 2.72 1.02 0.03 -5.01 120.64 121.45 2xii n GLU 429 Ca -0.13 -0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.85 2xii n GLU 429 Cb 0.52 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 2xii n GLU 429 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2xii s LYS 430 N -2.55 1.09 0.01 3.49 2.20 -1.19 -4.99 119.74 117.80 2xii s LYS 430 Ca -0.10 0.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2xii s LYS 430 Cb 0.07 0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 36.88 2xii s LYS 430 CO 0.83 -0.38 -0.16 0.00 -0.36 0.00 0.00 175.35 175.28 2xii s ALA 431 N -1.91 1.34 -0.01 3.13 0.00 -1.26 -1.58 121.76 121.48 2xii s ALA 431 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2xii s ALA 431 Cb -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2xii s ALA 431 CO 0.03 0.30 -0.01 0.99 0.00 0.00 0.00 175.76 177.07 2xii s THR 432 N -0.60 0.13 -0.20 0.00 2.01 -0.31 -1.34 115.64 115.33 2xii s THR 432 Ca 0.05 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 2xii s THR 432 Cb -0.07 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 2xii s THR 432 CO 0.00 0.06 1.44 -0.22 -0.69 0.00 0.00 174.62 175.21 2xii s LEU 433 N 0.19 4.04 0.18 4.42 2.96 -0.27 -0.33 118.68 129.87 2xii s LEU 433 Ca -0.02 1.64 -0.14 0.00 -0.22 0.00 0.00 54.13 55.39 2xii s LEU 433 Cb -0.03 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.26 2xii s LEU 433 CO -0.01 -1.02 1.75 0.25 -1.32 0.00 0.00 176.35 176.01 2xii h LEU 434 N 10.69 0.19 -0.52 -0.68 5.85 -1.54 0.16 115.31 129.45 2xii h LEU 434 Ca -0.31 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2xii h LEU 434 Cb 1.13 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2xii h LEU 434 CO 0.99 0.14 0.00 0.71 -0.34 0.00 0.00 178.44 179.94 2xii h THR 435 N 0.35 0.00 0.00 1.05 1.35 -1.88 -3.33 112.91 110.45 2xii h THR 435 Ca 0.22 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2xii h THR 435 Cb 0.21 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2xii h THR 435 CO -0.21 0.00 -0.79 0.35 -0.25 0.00 0.00 175.52 174.62 2xii n THR 436 N -2.33 0.00 -0.86 6.82 -2.24 -0.99 -5.02 114.28 109.66 2xii n THR 436 Ca 0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2xii n THR 436 Cb 0.30 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2xii n THR 436 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xii n GLY 437 N 2.00 0.97 3.71 3.38 0.00 0.01 -5.00 105.19 110.27 2xii n GLY 437 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2xii n GLY 437 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xii s GLU 438 N -0.13 4.37 0.28 1.61 -1.05 -1.25 -4.71 118.70 117.82 2xii s GLU 438 Ca 0.00 1.94 -0.30 0.00 -0.15 0.00 0.00 54.97 56.47 2xii s GLU 438 Cb 0.00 -3.29 -0.10 0.00 -0.44 0.00 0.00 34.13 30.29 2xii s GLU 438 CO 0.00 -0.36 1.48 0.34 0.95 0.00 0.00 175.26 177.67 2xii s ASP 439 N 1.08 6.56 -0.08 0.83 2.15 -1.26 -1.11 116.67 124.84 2xii s ASP 439 Ca 0.62 2.78 0.03 0.00 0.43 0.00 0.00 52.55 56.41 2xii s ASP 439 Cb -0.34 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 39.63 2xii s ASP 439 CO 0.30 -0.76 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.74 2xii s ILE 440 N -0.17 2.77 0.09 4.11 -1.09 -0.45 -4.90 121.20 121.56 2xii s ILE 440 Ca 0.59 -0.80 -0.31 0.00 -2.23 0.00 0.00 60.65 57.90 2xii s ILE 440 Cb -0.44 -2.09 -0.08 0.00 -1.58 0.00 0.00 42.46 38.27 2xii s ILE 440 CO 0.47 0.56 1.41 -0.89 -1.23 0.00 0.00 174.94 175.26 2xii s THR 441 N -0.20 3.34 -0.16 2.92 2.01 -1.26 -4.14 115.64 118.15 2xii s THR 441 Ca -0.01 0.93 0.01 0.00 0.31 0.00 0.00 61.69 62.93 2xii s THR 441 Cb -0.13 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2xii s THR 441 CO 0.03 0.06 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.14 2xii s VAL 442 N 1.41 2.24 -0.11 3.82 1.01 -1.26 -0.88 120.40 126.62 2xii s VAL 442 Ca 0.65 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2xii s VAL 442 Cb -0.36 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2xii s VAL 442 CO 0.30 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 175.03 2xii s VAL 443 N 1.05 1.92 0.09 2.92 1.01 -0.48 -5.00 120.40 121.92 2xii s VAL 443 Ca -0.01 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 2xii s VAL 443 Cb -0.14 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2xii s VAL 443 CO -0.06 0.53 1.22 -0.70 0.00 0.00 0.00 175.10 176.08 2xii s GLU 444 N 0.59 4.44 -0.16 2.72 2.12 -1.26 -0.67 118.70 126.47 2xii s GLU 444 Ca -0.14 1.82 0.02 0.00 0.36 0.00 0.00 54.97 57.03 2xii s GLU 444 Cb -0.17 -3.31 -0.11 0.00 0.26 0.00 0.00 34.13 30.80 2xii s GLU 444 CO 0.04 -0.24 -0.14 0.25 -0.54 0.00 0.00 175.26 174.64 2xii n THR 445 N 3.62 0.93 -3.89 -1.70 -2.24 -0.38 -4.90 114.28 105.73 2xii n THR 445 Ca 0.08 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2xii n THR 445 Cb 0.46 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2xii n THR 445 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2xii n THR 446 N -2.95 0.00 -1.77 4.28 5.66 -1.20 -5.04 114.28 113.26 2xii n THR 446 Ca -0.28 -1.31 -0.42 0.00 -3.05 0.00 0.00 64.05 58.99 2xii n THR 446 Cb 0.81 1.00 -0.03 0.00 -1.55 0.00 0.00 70.33 70.56 2xii n THR 446 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2xii s ARG 447 N -2.41 4.14 -2.04 1.09 1.70 -1.26 -1.62 118.95 118.55 2xii s ARG 447 Ca 0.21 2.56 0.00 0.00 -0.47 0.00 0.00 55.73 58.04 2xii s ARG 447 Cb -0.03 -3.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 2xii s ARG 447 CO 0.15 -0.72 0.00 0.09 -1.08 0.00 0.00 175.30 173.75 2xii n ASN 448 N 3.85 -5.41 -3.91 -2.89 4.13 -1.26 -4.99 115.26 104.79 2xii n ASN 448 Ca 0.15 0.42 -0.17 0.00 1.68 0.00 0.00 54.58 56.66 2xii n ASN 448 Cb 0.36 -4.61 -0.15 0.00 -1.54 0.00 0.00 39.78 33.83 2xii n ASN 448 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2xii s GLU 449 N -3.84 0.52 0.12 3.52 2.12 -0.64 -0.54 118.70 119.95 2xii s GLU 449 Ca 0.00 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.29 2xii s GLU 449 Cb 0.00 -0.56 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 2xii s GLU 449 CO 0.00 -0.00 -0.16 0.71 -0.54 0.00 0.00 175.26 175.27 2xii s TYR 450 N 0.45 1.52 -0.29 5.30 2.02 0.73 -1.25 117.35 125.83 2xii s TYR 450 Ca -0.05 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.01 2xii s TYR 450 Cb -0.09 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.64 2xii s TYR 450 CO -0.00 0.17 0.37 -0.80 -1.57 0.00 0.00 175.55 173.72 2xii s ASN 451 N -2.24 6.23 -0.26 2.29 0.01 0.16 -1.07 114.94 120.06 2xii s ASN 451 Ca 0.07 0.13 -0.13 0.00 -0.71 0.00 0.00 52.86 52.22 2xii s ASN 451 Cb -0.07 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 2xii s ASN 451 CO 0.04 -0.23 0.27 -0.69 -1.51 0.00 0.00 177.10 174.98 2xii s VAL 452 N 2.06 5.26 0.47 1.60 1.01 0.28 -1.38 120.40 129.69 2xii s VAL 452 Ca 0.14 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 2xii s VAL 452 Cb -0.16 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 2xii s VAL 452 CO 0.11 0.23 1.14 -0.44 0.00 0.00 0.00 175.10 176.14 2xii s SER 453 N 1.52 6.18 0.81 3.32 0.01 -0.06 0.16 113.70 125.65 2xii s SER 453 Ca 0.11 2.24 -0.10 0.00 1.31 0.00 0.00 55.95 59.51 2xii s SER 453 Cb -0.15 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.56 2xii s SER 453 CO 0.09 -0.90 1.11 0.68 0.41 0.00 0.00 173.24 174.63 2xii s VAL 454 N -1.61 2.96 0.73 3.43 -7.23 -0.68 -4.71 120.40 113.29 2xii s VAL 454 Ca 0.64 0.31 -0.16 0.00 -1.81 0.00 0.00 61.98 60.97 2xii s VAL 454 Cb -0.27 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.04 2xii s VAL 454 CO 0.32 -0.41 1.17 -2.65 -0.31 0.00 0.00 175.10 173.23 2xii n PRO 455 N -3.73 0.59 -0.37 4.82 -0.02 -1.26 -4.91 135.00 130.12 2xii n PRO 455 Ca 0.10 0.27 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 2xii n PRO 455 Cb 0.53 -2.42 0.18 0.00 -0.02 0.00 0.00 33.50 31.77 2xii n PRO 455 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2xii h LYS 456 N -0.23 1.14 -5.30 -0.52 1.57 -1.96 -3.38 116.57 107.88 2xii h LYS 456 Ca -0.48 -0.07 -0.64 0.00 -1.87 0.00 0.00 60.65 57.59 2xii h LYS 456 Cb 1.32 -0.26 -0.23 0.00 0.08 0.00 0.00 32.23 33.15 2xii h LYS 456 CO 0.49 0.75 -0.69 0.15 -0.57 0.00 0.00 179.45 179.58 2xii s LYS 457 N -6.04 3.61 -0.08 3.15 -0.14 -1.26 -5.08 119.74 113.90 2xii s LYS 457 Ca -0.12 -0.55 -0.31 0.00 -1.36 0.00 0.00 55.97 53.62 2xii s LYS 457 Cb 0.20 -2.86 -0.09 0.00 -1.68 0.00 0.00 37.83 33.41 2xii s LYS 457 CO 0.81 0.23 2.03 -1.71 -0.76 0.00 0.00 175.35 175.96 2xii n ASN 458 N 3.55 3.67 0.17 2.83 2.85 -1.26 -4.88 115.26 122.20 2xii n ASN 458 Ca -0.18 0.71 0.18 0.00 -0.11 0.00 0.00 54.58 55.18 2xii n ASN 458 Cb 0.52 -1.49 0.80 0.00 1.24 0.00 0.00 39.78 40.86 2xii n ASN 458 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2xii h PRO 459 N 11.59 0.00 0.00 1.20 0.11 -1.98 -3.46 132.00 139.46 2xii h PRO 459 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2xii h PRO 459 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2xii h PRO 459 CO 0.95 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 2xii n GLY 460 N -1.42 0.47 3.56 -0.55 0.00 -1.26 -4.98 105.19 101.00 2xii n GLY 460 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2xii n GLY 460 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xii s GLU 461 N -0.14 1.41 0.27 1.61 -1.05 -1.26 -5.13 118.70 114.41 2xii s GLU 461 Ca 0.00 -0.62 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 2xii s GLU 461 Cb 0.00 0.59 -0.14 0.00 -0.44 0.00 0.00 34.13 34.14 2xii s GLU 461 CO 0.00 -0.63 1.17 -2.30 0.95 0.00 0.00 175.26 174.45 2xii n PRO 462 N -0.40 1.60 -4.21 -4.83 -0.02 -1.26 -4.95 135.00 120.93 2xii n PRO 462 Ca -0.13 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2xii n PRO 462 Cb 0.63 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 2xii n PRO 462 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2xii s TYR 463 N -0.71 1.15 -0.09 6.00 1.13 -0.82 -4.93 117.35 119.08 2xii s TYR 463 Ca 0.62 -1.25 0.04 0.00 -1.41 0.00 0.00 57.07 55.07 2xii s TYR 463 Cb -0.69 -0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 39.54 2xii s TYR 463 CO 0.57 -0.49 -0.21 0.08 -2.51 0.00 0.00 175.55 172.99 2xii s VAL 464 N -3.98 2.34 -0.17 -3.49 1.01 -1.26 -0.39 120.40 114.47 2xii s VAL 464 Ca 0.32 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2xii s VAL 464 Cb 0.07 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2xii s VAL 464 CO 0.08 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 174.99 2xii s ILE 465 N 0.11 2.98 -0.17 2.22 1.01 -0.01 -1.30 121.20 126.03 2xii s ILE 465 Ca -0.10 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 2xii s ILE 465 Cb -0.16 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2xii s ILE 465 CO 0.06 0.50 0.48 -1.58 0.00 0.00 0.00 174.94 174.39 2xii s GLN 466 N 0.85 4.23 -0.09 2.79 0.74 0.55 -0.08 119.66 128.66 2xii s GLN 466 Ca -0.04 0.38 -0.05 0.00 0.05 0.00 0.00 55.36 55.70 2xii s GLN 466 Cb -0.15 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 2xii s GLN 466 CO 0.00 -0.03 0.14 -0.51 -0.55 0.00 0.00 175.29 174.34 2xii s LEU 467 N 1.24 4.31 -0.24 3.68 1.43 0.15 -1.16 118.68 128.09 2xii s LEU 467 Ca 0.24 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 2xii s LEU 467 Cb -0.15 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2xii s LEU 467 CO 0.09 0.37 0.24 -0.75 0.23 0.00 0.00 176.35 176.53 2xii s LYS 468 N -1.26 4.06 0.25 1.70 2.20 -0.61 -2.52 119.74 123.55 2xii s LYS 468 Ca 0.18 -0.15 0.10 0.00 -0.36 0.00 0.00 55.97 55.74 2xii s LYS 468 Cb -0.12 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 2xii s LYS 468 CO 0.08 -0.04 -0.16 0.14 -0.36 0.00 0.00 175.35 175.00 2xii s VAL 469 N 1.35 2.11 -0.06 4.02 -7.23 -1.26 -0.79 120.40 118.54 2xii s VAL 469 Ca 0.10 -2.30 -0.00 0.00 -1.81 0.00 0.00 61.98 57.97 2xii s VAL 469 Cb -0.14 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.61 2xii s VAL 469 CO 0.07 -0.47 -0.02 -0.60 -0.31 0.00 0.00 175.10 173.77 2xii s ARG 470 N -3.58 0.70 -0.09 4.82 6.06 -0.35 -4.92 118.95 121.58 2xii s ARG 470 Ca 0.27 0.00 -0.05 0.00 -2.50 0.00 0.00 55.73 53.45 2xii s ARG 470 Cb -0.02 -0.89 -0.04 0.00 0.06 0.00 0.00 34.95 34.06 2xii s ARG 470 CO 0.11 -0.19 0.14 0.00 -2.50 0.00 0.00 175.30 172.86 2xii s ALA 471 N 1.43 3.84 0.33 6.12 0.00 -1.26 -1.38 121.76 130.83 2xii s ALA 471 Ca -0.03 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 2xii s ALA 471 Cb -0.13 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.03 2xii s ALA 471 CO -0.03 0.65 0.65 0.00 0.00 0.00 0.00 175.76 177.03 2xii s ALA 472 N -1.10 3.50 0.00 0.00 0.00 -0.37 -5.02 121.76 118.77 2xii s ALA 472 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2xii s ALA 472 Cb -0.12 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2xii s ALA 472 CO 0.08 0.16 0.00 1.63 0.00 0.00 0.00 175.76 177.63