#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dds n ILE 13 N 0.00 0.00 -0.33 -0.39 5.41 0.35 -5.05 119.36 119.35 3dds n ILE 13 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.65 3dds n ILE 13 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 3dds n ILE 13 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3dds n ILE 15 N -3.50 0.00 -4.42 1.39 -5.35 -1.26 -4.40 119.36 101.83 3dds n ILE 15 Ca 0.05 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.26 3dds n ILE 15 Cb 0.19 0.07 -0.11 0.00 -1.74 0.00 0.00 39.64 38.05 3dds n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dds s ARG 16 N 0.00 1.59 0.00 6.28 1.70 -1.26 -3.23 118.95 124.03 3dds s ARG 16 Ca 0.00 -1.53 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 3dds s ARG 16 Cb 0.00 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.51 3dds s ARG 16 CO 0.00 0.39 0.00 0.41 -1.08 0.00 0.00 175.30 175.02 3dds n GLY 17 N 0.13 0.38 0.26 3.88 0.00 -1.26 -4.02 105.19 104.56 3dds n GLY 17 Ca -0.11 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 3dds n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dds h ILE 18 N 0.00 0.48 -0.41 -0.61 2.04 -1.99 0.16 117.51 117.18 3dds h ILE 18 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 3dds h ILE 18 Cb 0.00 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3dds h ILE 18 CO 0.00 0.00 -0.23 0.58 0.00 0.00 0.00 178.15 178.50 3dds h VAL 19 N -0.39 1.28 -0.73 1.67 2.07 -1.98 -2.82 116.25 115.34 3dds h VAL 19 Ca 0.04 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 3dds h VAL 19 Cb 0.44 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3dds h VAL 19 CO -0.17 0.46 0.28 1.23 0.02 0.00 0.00 177.57 179.40 3dds h GLY 20 N 0.69 1.17 1.31 2.17 0.00 -1.64 -0.13 103.07 106.64 3dds h GLY 20 Ca 0.09 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 3dds h GLY 20 CO 0.07 0.60 0.15 -2.08 0.00 0.00 0.00 176.54 175.28 3dds h VAL 21 N 1.06 1.23 -0.13 4.60 2.07 -0.93 -2.79 116.25 121.35 3dds h VAL 21 Ca 0.24 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.80 3dds h VAL 21 Cb 0.22 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3dds h VAL 21 CO -0.02 0.31 -0.57 -0.08 0.02 0.00 0.00 177.57 177.23 3dds h GLU 22 N 0.84 0.41 0.00 1.57 4.57 -1.09 -1.24 114.58 119.64 3dds h GLU 22 Ca 0.19 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3dds h GLU 22 Cb 0.28 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3dds h GLU 22 CO -0.00 0.87 -0.10 -0.91 -1.18 0.00 0.00 179.01 177.69 3dds h ASN 23 N 0.31 -0.29 -0.51 1.04 2.35 -0.87 0.41 115.58 118.02 3dds h ASN 23 Ca 0.00 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3dds h ASN 23 Cb 1.09 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3dds h ASN 23 CO 0.10 -0.15 0.18 0.58 -1.65 0.00 0.00 177.43 176.49 3dds h VAL 24 N -0.17 1.22 -0.54 2.81 2.07 -1.49 -2.10 116.25 118.05 3dds h VAL 24 Ca 0.04 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.89 3dds h VAL 24 Cb 0.22 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3dds h VAL 24 CO -0.10 0.27 0.24 0.00 0.02 0.00 0.00 177.57 178.00 3dds h ALA 25 N 1.03 0.69 -0.45 1.67 0.00 -0.98 -0.58 119.26 120.64 3dds h ALA 25 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dds h ALA 25 Cb 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dds h ALA 25 CO -0.01 -0.14 0.23 1.49 0.00 0.00 0.00 179.25 180.83 3dds h GLU 26 N 0.45 0.64 -0.50 0.00 4.22 -0.76 -1.04 114.58 117.59 3dds h GLU 26 Ca 0.25 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.61 3dds h GLU 26 Cb 0.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3dds h GLU 26 CO -0.22 0.52 0.32 -0.07 -2.18 0.00 0.00 179.01 177.38 3dds h LEU 27 N 0.59 0.58 -0.52 1.64 3.38 -0.96 0.86 115.31 120.89 3dds h LEU 27 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dds h LEU 27 Cb 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3dds h LEU 27 CO -0.02 0.44 0.33 0.11 0.09 0.00 0.00 178.44 179.38 3dds h LYS 28 N 0.67 0.69 -0.64 1.13 1.57 -1.00 -0.62 116.57 118.37 3dds h LYS 28 Ca 0.18 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3dds h LYS 28 Cb -0.05 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 3dds h LYS 28 CO -0.04 0.48 0.41 0.87 -0.57 0.00 0.00 179.45 180.61 3dds h LYS 29 N 0.70 0.80 -0.50 3.15 1.57 -0.76 -1.79 116.57 119.73 3dds h LYS 29 Ca 0.19 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3dds h LYS 29 Cb -0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3dds h LYS 29 CO -0.04 0.53 -0.04 0.77 -0.57 0.00 0.00 179.45 180.10 3dds h SER 30 N 0.82 0.90 -0.11 0.86 0.02 -0.57 -0.86 113.55 114.61 3dds h SER 30 Ca 0.25 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3dds h SER 30 Cb -0.04 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3dds h SER 30 CO -0.08 1.01 -0.13 0.15 -1.14 0.00 0.00 176.83 176.64 3dds h PHE 31 N 0.77 -0.33 -0.48 3.45 3.57 -0.95 -0.23 116.94 122.75 3dds h PHE 31 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3dds h PHE 31 Cb 0.57 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3dds h PHE 31 CO 0.04 -0.20 0.05 -0.91 -2.23 0.00 0.00 178.31 175.07 3dds h ASN 32 N -0.17 0.71 -0.36 0.41 2.35 -1.17 -1.32 115.58 116.04 3dds h ASN 32 Ca 0.08 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3dds h ASN 32 Cb 0.29 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3dds h ASN 32 CO -0.21 0.75 0.12 0.03 -1.65 0.00 0.00 177.43 176.47 3dds h ARG 33 N 0.72 0.55 -0.62 0.81 3.08 -0.83 -1.91 114.38 116.17 3dds h ARG 33 Ca 0.15 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3dds h ARG 33 Cb 0.37 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3dds h ARG 33 CO 0.01 0.56 0.29 0.45 -1.07 0.00 0.00 179.97 180.21 3dds h HIS 34 N 0.42 0.90 -0.70 3.04 3.86 -0.76 0.18 115.15 122.10 3dds h HIS 34 Ca 0.12 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 3dds h HIS 34 Cb 0.24 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 3dds h HIS 34 CO 0.01 0.69 0.42 1.25 0.86 0.00 0.00 177.93 181.15 3dds h LEU 35 N 0.86 0.65 0.28 2.43 5.85 -1.15 0.17 115.31 124.40 3dds h LEU 35 Ca 0.21 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3dds h LEU 35 Cb 0.13 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3dds h LEU 35 CO -0.03 0.43 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.63 3dds h HIS 36 N 0.78 -0.35 0.07 1.25 2.76 -1.08 -1.96 115.15 116.62 3dds h HIS 36 Ca 0.30 -0.01 -0.27 0.00 -2.20 0.00 0.00 60.37 58.19 3dds h HIS 36 Cb 0.12 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3dds h HIS 36 CO -0.06 -0.22 -1.36 0.74 -1.30 0.00 0.00 177.93 175.73 3dds h PHE 37 N -0.91 0.26 0.06 5.26 0.04 -0.69 -1.99 116.94 118.98 3dds h PHE 37 Ca -0.04 -0.19 -0.32 0.00 2.80 0.00 0.00 57.97 60.22 3dds h PHE 37 Cb 0.29 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 3dds h PHE 37 CO 0.02 1.20 -1.75 2.41 -0.60 0.00 0.00 178.31 179.59 3dds n THR 38 N -3.37 1.66 0.07 -1.55 -1.04 -0.15 -4.43 114.28 105.47 3dds n THR 38 Ca -0.11 -0.38 0.09 0.00 -2.04 0.00 0.00 64.05 61.61 3dds n THR 38 Cb 1.01 -1.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.63 3dds n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dds n LEU 39 N -3.91 0.76 -3.39 -4.42 4.77 -0.14 -5.00 117.00 105.68 3dds n LEU 39 Ca -0.34 0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 55.77 3dds n LEU 39 Cb 0.89 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 42.04 3dds n LEU 39 CO 0.30 -0.09 0.06 0.52 -1.33 0.00 0.00 177.39 176.86 3dds n VAL 40 N -2.69 -7.08 -4.10 4.08 0.31 -0.75 -4.99 118.33 103.11 3dds n VAL 40 Ca -0.03 -0.83 -0.16 0.00 -0.01 0.00 0.00 64.34 63.31 3dds n VAL 40 Cb 0.63 -5.46 -0.15 0.00 -0.91 0.00 0.00 33.84 27.95 3dds n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3dds s LYS 41 N -5.07 0.41 0.46 5.55 1.02 -0.95 -5.03 119.74 116.12 3dds s LYS 41 Ca 0.19 -0.13 -0.22 0.00 0.02 0.00 0.00 55.97 55.83 3dds s LYS 41 Cb -0.03 -0.42 -0.08 0.00 -0.52 0.00 0.00 37.83 36.78 3dds s LYS 41 CO 0.74 0.05 1.07 0.34 -0.92 0.00 0.00 175.35 176.64 3dds s ASP 42 N 0.13 6.40 0.51 2.83 2.15 -1.26 -4.22 116.67 123.20 3dds s ASP 42 Ca -0.01 2.04 0.22 0.00 0.43 0.00 0.00 52.55 55.24 3dds s ASP 42 Cb -0.04 -2.58 1.32 0.00 -0.30 0.00 0.00 42.92 41.31 3dds s ASP 42 CO -0.00 -0.75 2.00 -0.09 -0.17 0.00 0.00 175.17 176.16 3dds h ARG 43 N 1.91 0.08 0.00 4.34 9.65 -1.96 -1.44 114.38 126.96 3dds h ARG 43 Ca -0.49 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3dds h ARG 43 Cb 1.23 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3dds h ARG 43 CO 0.60 0.05 0.00 -0.91 2.80 0.00 0.00 179.97 182.51 3dds h ASN 44 N 0.08 0.00 -0.01 -3.80 2.35 -2.06 -2.94 115.58 109.21 3dds h ASN 44 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3dds h ASN 44 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 3dds h ASN 44 CO -0.02 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.09 3dds n VAL 45 N -2.90 0.26 -2.39 2.81 0.24 -0.59 -5.06 118.33 110.71 3dds n VAL 45 Ca -0.01 -0.63 -0.35 0.00 -2.04 0.00 0.00 64.34 61.32 3dds n VAL 45 Cb 0.19 0.88 -0.01 0.00 -1.47 0.00 0.00 33.84 33.43 3dds n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dds s ALA 46 N -0.30 2.78 0.43 2.33 0.00 -0.93 -4.97 121.76 121.09 3dds s ALA 46 Ca 0.01 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.75 3dds s ALA 46 Cb 0.01 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 3dds s ALA 46 CO 0.01 -0.56 0.08 0.95 0.00 0.00 0.00 175.76 176.24 3dds s THR 47 N -1.87 1.99 0.26 0.00 -4.23 -1.26 -5.01 115.64 105.52 3dds s THR 47 Ca 0.70 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 3dds s THR 47 Cb -0.20 -2.87 0.23 0.00 1.34 0.00 0.00 72.50 71.00 3dds s THR 47 CO 0.24 0.00 1.77 0.74 -0.54 0.00 0.00 174.62 176.82 3dds h THR 48 N 1.57 0.75 -0.75 3.99 2.02 -1.99 -1.32 112.91 117.18 3dds h THR 48 Ca -0.43 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.54 3dds h THR 48 Cb 1.26 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3dds h THR 48 CO 0.76 0.11 0.50 -0.09 0.37 0.00 0.00 175.52 177.17 3dds h ARG 49 N 0.62 0.98 -0.58 6.66 2.43 -1.95 0.20 114.38 122.75 3dds h ARG 49 Ca 0.44 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 3dds h ARG 49 Cb 0.60 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3dds h ARG 49 CO -0.35 0.65 0.38 -0.44 -1.51 0.00 0.00 179.97 178.70 3dds h ASP 50 N 1.01 0.66 -0.82 -3.80 3.32 -1.67 -1.53 116.42 113.59 3dds h ASP 50 Ca 0.28 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3dds h ASP 50 Cb -0.11 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 3dds h ASP 50 CO -0.06 0.48 0.44 1.88 -1.72 0.00 0.00 179.24 180.27 3dds h TYR 51 N 0.78 1.14 -0.29 4.55 0.05 -0.82 -0.22 116.97 122.17 3dds h TYR 51 Ca 0.21 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.01 3dds h TYR 51 Cb -0.09 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 37.25 3dds h TYR 51 CO -0.03 0.80 -0.01 -0.92 -1.05 0.00 0.00 178.16 176.94 3dds h TYR 52 N 1.15 -0.04 -0.49 4.88 3.20 -0.48 -1.40 116.97 123.79 3dds h TYR 52 Ca 0.29 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 3dds h TYR 52 Cb 0.04 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3dds h TYR 52 CO 0.01 -0.06 -0.08 0.74 -1.64 0.00 0.00 178.16 177.12 3dds h PHE 53 N 0.07 0.97 -0.49 -3.82 0.04 -0.86 0.38 116.94 113.23 3dds h PHE 53 Ca 0.14 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3dds h PHE 53 Cb 0.19 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 3dds h PHE 53 CO -0.23 0.92 0.26 0.00 -0.60 0.00 0.00 178.31 178.66 3dds h ALA 54 N 1.10 0.63 -0.40 2.45 0.00 -0.82 -1.00 119.26 121.22 3dds h ALA 54 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3dds h ALA 54 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3dds h ALA 54 CO 0.04 0.16 0.04 1.25 0.00 0.00 0.00 179.25 180.73 3dds h LEU 55 N 0.65 0.66 -0.53 0.00 5.85 -0.93 -2.02 115.31 118.99 3dds h LEU 55 Ca 0.17 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3dds h LEU 55 Cb 0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3dds h LEU 55 CO -0.03 0.78 0.30 0.00 -0.34 0.00 0.00 178.44 179.15 3dds h ALA 56 N 0.91 0.68 -0.68 1.25 0.00 -0.68 0.02 119.26 120.75 3dds h ALA 56 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dds h ALA 56 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3dds h ALA 56 CO 0.01 -0.02 0.22 0.45 0.00 0.00 0.00 179.25 179.92 3dds h HIS 57 N 0.58 1.06 -0.40 0.00 3.86 -1.13 -0.65 115.15 118.47 3dds h HIS 57 Ca 0.22 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3dds h HIS 57 Cb 0.07 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 3dds h HIS 57 CO -0.08 0.84 0.21 1.15 0.86 0.00 0.00 177.93 180.91 3dds h THR 58 N 1.00 1.16 -0.28 2.45 2.02 -0.61 -1.17 112.91 117.47 3dds h THR 58 Ca 0.22 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 3dds h THR 58 Cb 0.26 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3dds h THR 58 CO -0.01 0.17 0.02 0.58 0.37 0.00 0.00 175.52 176.65 3dds h VAL 59 N 0.51 1.25 -0.69 3.16 2.07 -0.84 -3.02 116.25 118.70 3dds h VAL 59 Ca 0.14 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3dds h VAL 59 Cb 0.08 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3dds h VAL 59 CO -0.02 0.28 0.43 -0.09 0.02 0.00 0.00 177.57 178.19 3dds h ARG 60 N 0.29 0.83 -0.92 1.57 2.43 -1.00 -1.05 114.38 116.53 3dds h ARG 60 Ca 0.08 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.40 3dds h ARG 60 Cb 0.39 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 3dds h ARG 60 CO 0.01 0.55 0.60 -0.44 -1.51 0.00 0.00 179.97 179.18 3dds h ASP 61 N 0.86 0.50 0.67 -3.80 3.32 -1.11 -1.46 116.42 115.39 3dds h ASP 61 Ca 0.27 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3dds h ASP 61 Cb -0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3dds h ASP 61 CO -0.10 0.20 0.00 1.41 -1.72 0.00 0.00 179.24 179.03 3dds n HIS 62 N -4.56 0.44 0.56 4.55 8.25 -0.40 -2.76 115.22 121.30 3dds n HIS 62 Ca 0.20 0.17 0.06 0.00 -0.26 0.00 0.00 57.72 57.89 3dds n HIS 62 Cb 0.66 -0.78 0.01 0.00 1.12 0.00 0.00 29.99 31.00 3dds n HIS 62 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 3dds n LEU 63 N -1.90 1.54 -0.24 2.41 -0.00 -0.56 -4.66 117.00 113.59 3dds n LEU 63 Ca 0.03 -0.82 -0.05 0.00 -0.00 0.00 0.00 56.01 55.18 3dds n LEU 63 Cb 0.21 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.70 3dds n LEU 63 CO 0.18 0.30 1.15 0.58 -0.00 0.00 0.00 177.39 179.59 3dds h VAL 64 N 1.66 1.13 -0.20 1.47 2.07 -1.40 0.10 116.25 121.09 3dds h VAL 64 Ca 0.00 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.25 3dds h VAL 64 Cb 0.45 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3dds h VAL 64 CO 0.00 0.16 0.02 1.23 0.02 0.00 0.00 177.57 179.00 3dds h GLY 65 N 0.87 0.21 1.80 2.17 0.00 -1.83 -0.83 103.07 105.45 3dds h GLY 65 Ca 0.26 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 3dds h GLY 65 CO -0.08 -0.01 -0.36 3.21 0.00 0.00 0.00 176.54 179.30 3dds h ARG 66 N 0.10 0.23 -0.03 4.80 3.08 -1.80 -0.80 114.38 119.96 3dds h ARG 66 Ca 0.09 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dds h ARG 66 Cb 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dds h ARG 66 CO -0.13 0.57 0.01 2.35 -1.07 0.00 0.00 179.97 181.70 3dds h TRP 67 N 0.20 0.04 -0.36 3.04 7.01 -0.45 0.17 115.95 125.60 3dds h TRP 67 Ca 0.02 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 3dds h TRP 67 Cb 0.74 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 3dds h TRP 67 CO 0.01 0.23 0.18 0.82 -2.79 0.00 0.00 178.44 176.89 3dds h ILE 68 N -0.15 1.16 -0.22 2.65 2.04 -1.12 -2.51 117.51 119.36 3dds h ILE 68 Ca 0.01 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 3dds h ILE 68 Cb 0.20 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3dds h ILE 68 CO -0.00 0.16 -0.21 0.03 0.00 0.00 0.00 178.15 178.13 3dds h ARG 69 N 0.44 0.39 -0.44 2.37 3.08 -1.03 -1.34 114.38 117.86 3dds h ARG 69 Ca 0.12 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3dds h ARG 69 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3dds h ARG 69 CO -0.02 0.59 0.22 1.15 -1.07 0.00 0.00 179.97 180.84 3dds h THR 70 N 0.35 1.17 -0.59 2.04 2.02 -0.53 0.77 112.91 118.14 3dds h THR 70 Ca 0.06 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3dds h THR 70 Cb 0.58 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3dds h THR 70 CO 0.04 0.19 0.32 1.56 0.37 0.00 0.00 175.52 177.99 3dds h GLN 71 N 0.56 0.83 -0.63 6.66 1.08 -1.00 -1.65 115.11 120.97 3dds h GLN 71 Ca 0.15 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3dds h GLN 71 Cb 0.10 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3dds h GLN 71 CO -0.02 0.64 0.35 0.37 -0.95 0.00 0.00 178.83 179.22 3dds h GLN 72 N 0.80 0.87 -0.53 1.46 4.15 -1.02 -1.90 115.11 118.94 3dds h GLN 72 Ca 0.21 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3dds h GLN 72 Cb 0.06 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3dds h GLN 72 CO -0.03 0.65 0.31 1.25 -1.93 0.00 0.00 178.83 179.08 3dds h HIS 73 N 0.86 0.71 -0.56 3.99 2.76 -0.54 0.19 115.15 122.55 3dds h HIS 73 Ca 0.22 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 3dds h HIS 73 Cb 0.03 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 3dds h HIS 73 CO -0.01 0.50 0.01 1.88 -1.30 0.00 0.00 177.93 179.01 3dds h TYR 74 N 0.71 1.04 -0.34 5.26 0.05 -1.13 -0.59 116.97 121.97 3dds h TYR 74 Ca 0.19 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3dds h TYR 74 Cb 0.00 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 3dds h TYR 74 CO -0.02 0.93 0.13 -0.92 -1.05 0.00 0.00 178.16 177.22 3dds h TYR 75 N 0.89 0.52 -0.24 4.88 3.20 -1.05 -1.48 116.97 123.69 3dds h TYR 75 Ca 0.17 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 3dds h TYR 75 Cb 0.51 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3dds h TYR 75 CO 0.03 0.49 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.52 3dds h ASP 76 N 0.40 0.49 -0.01 -2.11 3.32 -0.29 -3.34 116.42 114.88 3dds h ASP 76 Ca 0.11 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3dds h ASP 76 Cb 0.19 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3dds h ASP 76 CO -0.01 0.76 -0.69 0.29 -1.72 0.00 0.00 179.24 177.88 3dds n LYS 77 N -4.53 0.82 -4.11 3.56 4.76 -0.26 -5.02 118.16 113.38 3dds n LYS 77 Ca -0.04 -0.53 -0.45 0.00 -2.87 0.00 0.00 58.31 54.42 3dds n LYS 77 Cb 0.32 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 3dds n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dds s PRO 79 N -7.43 2.69 0.26 0.00 0.04 -1.26 -4.96 135.00 124.34 3dds s PRO 79 Ca 0.44 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 3dds s PRO 79 Cb -0.25 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 3dds s PRO 79 CO 0.95 -1.37 1.51 0.21 0.04 0.00 0.00 177.00 178.35 3dds s LYS 80 N -3.86 4.20 0.02 4.56 2.20 -1.26 -4.98 119.74 120.62 3dds s LYS 80 Ca 0.71 2.42 -0.06 0.00 -0.36 0.00 0.00 55.97 58.68 3dds s LYS 80 Cb -0.24 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 3dds s LYS 80 CO 0.40 -0.52 0.28 1.03 -0.36 0.00 0.00 175.35 176.18 3dds s ARG 81 N -0.31 3.59 -0.18 4.03 0.52 -0.35 -4.54 118.95 121.71 3dds s ARG 81 Ca 0.62 -0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.73 3dds s ARG 81 Cb -0.44 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 3dds s ARG 81 CO 0.44 0.63 -0.06 0.08 0.02 0.00 0.00 175.30 176.41 3dds s VAL 82 N -1.33 3.44 -0.26 3.52 1.01 -0.32 -1.20 120.40 125.25 3dds s VAL 82 Ca 0.29 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3dds s VAL 82 Cb -0.13 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.76 3dds s VAL 82 CO 0.17 0.46 -0.05 -0.31 0.00 0.00 0.00 175.10 175.37 3dds s TYR 83 N 0.94 3.12 -0.53 5.22 2.02 0.30 -1.27 117.35 127.14 3dds s TYR 83 Ca -0.01 -1.68 -0.18 0.00 -0.37 0.00 0.00 57.07 54.83 3dds s TYR 83 Cb -0.15 -2.06 0.08 0.00 -0.40 0.00 0.00 41.96 39.44 3dds s TYR 83 CO 0.01 -0.76 0.59 -0.47 -1.57 0.00 0.00 175.55 173.35 3dds s TYR 84 N 1.29 3.09 -0.34 2.71 5.04 -0.05 -1.08 117.35 128.00 3dds s TYR 84 Ca -0.02 -0.79 -0.13 0.00 -2.44 0.00 0.00 57.07 53.69 3dds s TYR 84 Cb -0.17 -3.61 -0.01 0.00 0.35 0.00 0.00 41.96 38.51 3dds s TYR 84 CO -0.04 -1.05 0.26 -1.17 -1.34 0.00 0.00 175.55 172.21 3dds s LEU 85 N 2.36 4.55 -0.05 6.97 2.96 -0.65 -1.26 118.68 133.54 3dds s LEU 85 Ca 0.11 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 3dds s LEU 85 Cb -0.22 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.32 3dds s LEU 85 CO 0.09 -0.26 0.20 -0.55 -1.32 0.00 0.00 176.35 174.50 3dds s SER 86 N 1.72 -0.16 0.09 3.68 0.15 -0.76 -2.05 113.70 116.38 3dds s SER 86 Ca 0.07 0.25 0.23 0.00 0.70 0.00 0.00 55.95 57.20 3dds s SER 86 Cb -0.17 0.36 0.93 0.00 -1.71 0.00 0.00 66.02 65.44 3dds s SER 86 CO 0.11 -0.17 1.73 0.18 1.20 0.00 0.00 173.24 176.29 3dds n LEU 87 N 2.50 0.28 -3.88 3.45 7.99 -1.26 -4.03 117.00 122.04 3dds n LEU 87 Ca -0.16 0.54 -0.16 0.00 -0.01 0.00 0.00 56.01 56.23 3dds n LEU 87 Cb 0.58 -0.48 -0.15 0.00 -0.11 0.00 0.00 43.42 43.26 3dds n LEU 87 CO 0.20 -0.20 -0.38 -1.61 -1.51 0.00 0.00 177.39 173.88 3dds s GLU 88 N -3.07 0.34 -0.20 3.23 2.02 -1.26 -4.56 118.70 115.20 3dds s GLU 88 Ca 0.10 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 3dds s GLU 88 Cb 0.13 -0.41 0.06 0.00 0.10 0.00 0.00 34.13 34.02 3dds s GLU 88 CO 0.45 -0.02 0.04 -0.06 0.02 0.00 0.00 175.26 175.69 3dds s PHE 89 N 0.42 1.01 -1.12 1.61 0.08 -0.40 -4.62 117.98 114.97 3dds s PHE 89 Ca -0.04 -0.86 -0.08 0.00 0.12 0.00 0.00 56.93 56.07 3dds s PHE 89 Cb -0.07 -1.03 0.28 0.00 -0.57 0.00 0.00 43.02 41.63 3dds s PHE 89 CO -0.01 -0.61 1.25 0.98 -0.10 0.00 0.00 175.22 176.73 3dds n TYR 90 N 5.05 4.44 0.12 0.36 9.36 -0.48 -3.14 117.16 132.88 3dds n TYR 90 Ca -0.09 -3.51 0.05 0.00 3.32 0.00 0.00 57.90 57.67 3dds n TYR 90 Cb 0.47 -1.63 0.02 0.00 -0.63 0.00 0.00 39.34 37.57 3dds n TYR 90 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3dds h MET 91 N 6.34 0.00 0.00 2.98 2.86 -1.73 -3.41 114.93 121.97 3dds h MET 91 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3dds h MET 91 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3dds h MET 91 CO 1.13 0.26 0.00 0.41 1.06 0.00 0.00 176.91 179.77 3dds n GLY 92 N 1.24 0.39 3.86 8.32 0.00 -1.08 -4.79 105.19 113.13 3dds n GLY 92 Ca -0.01 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 3dds n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dds s ARG 93 N 0.00 3.88 -0.07 1.61 0.52 -1.26 -1.30 118.95 122.32 3dds s ARG 93 Ca 0.00 0.48 0.11 0.00 -0.52 0.00 0.00 55.73 55.79 3dds s ARG 93 Cb 0.00 -2.50 -0.15 0.00 0.52 0.00 0.00 34.95 32.82 3dds s ARG 93 CO 0.00 0.17 0.12 2.41 0.02 0.00 0.00 175.30 178.02 3dds n THR 94 N -0.51 0.47 0.27 0.02 -1.04 -1.26 -4.65 114.28 107.58 3dds n THR 94 Ca 0.02 -0.39 -0.17 0.00 -2.04 0.00 0.00 64.05 61.47 3dds n THR 94 Cb 0.53 -0.36 -0.09 0.00 -1.82 0.00 0.00 70.33 68.60 3dds n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3dds h LEU 95 N 0.00 -1.12 -0.50 -4.42 5.85 -1.96 -1.47 115.31 111.69 3dds h LEU 95 Ca -0.19 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 3dds h LEU 95 Cb 1.26 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 3dds h LEU 95 CO 0.01 -0.58 -0.14 -0.61 -0.34 0.00 0.00 178.44 176.79 3dds h GLN 96 N -0.87 0.98 -0.85 1.25 4.15 -1.96 -1.61 115.11 116.20 3dds h GLN 96 Ca -0.04 -0.38 0.05 0.00 0.77 0.00 0.00 58.65 59.05 3dds h GLN 96 Cb 0.76 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.34 3dds h GLN 96 CO -0.04 1.06 0.53 -0.97 -1.93 0.00 0.00 178.83 177.48 3dds h ASN 97 N 0.84 0.85 -0.17 -0.69 -1.24 -1.80 -0.69 115.58 112.68 3dds h ASN 97 Ca 0.13 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 3dds h ASN 97 Cb 0.71 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.58 3dds h ASN 97 CO 0.05 0.55 -0.07 0.74 -1.29 0.00 0.00 177.43 177.42 3dds h THR 98 N 0.99 1.30 -0.42 -3.57 2.02 -0.99 -1.25 112.91 110.98 3dds h THR 98 Ca 0.36 -1.09 0.05 0.00 0.77 0.00 0.00 66.41 66.50 3dds h THR 98 Cb 0.13 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3dds h THR 98 CO -0.16 0.32 0.15 0.24 0.37 0.00 0.00 175.52 176.45 3dds h MET 99 N 0.03 0.31 0.22 6.66 2.86 -0.96 -1.05 114.93 123.00 3dds h MET 99 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3dds h MET 99 Cb 0.53 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3dds h MET 99 CO 0.02 0.21 -0.10 0.82 1.06 0.00 0.00 176.91 178.92 3dds h ILE 100 N 0.32 0.80 -0.08 -1.22 2.04 -1.09 0.25 117.51 118.53 3dds h ILE 100 Ca 0.20 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3dds h ILE 100 Cb 0.18 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3dds h ILE 100 CO -0.20 0.02 -0.13 0.78 0.00 0.00 0.00 178.15 178.63 3dds h ASN 101 N -0.33 0.12 0.37 1.72 4.21 -0.96 -1.40 115.58 119.30 3dds h ASN 101 Ca -0.03 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.46 3dds h ASN 101 Cb 0.26 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 3dds h ASN 101 CO 0.05 0.26 -0.07 0.18 -1.29 0.00 0.00 177.43 176.56 3dds n LEU 102 N -4.32 0.34 -0.90 1.61 4.77 -0.42 -0.94 117.00 117.14 3dds n LEU 102 Ca -0.01 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 3dds n LEU 102 Cb 0.24 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3dds n LEU 102 CO 0.37 0.06 -0.10 0.61 -1.33 0.00 0.00 177.39 177.00 3dds n GLY 103 N 1.25 0.44 0.46 -0.72 0.00 -0.53 -4.82 105.19 101.27 3dds n GLY 103 Ca 0.15 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3dds n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dds n LEU 104 N -1.20 1.86 -0.10 0.99 4.77 0.82 -0.49 117.00 123.65 3dds n LEU 104 Ca -0.10 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.91 3dds n LEU 104 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3dds n LEU 104 CO 0.13 0.35 0.91 -0.61 -1.33 0.00 0.00 177.39 176.84 3dds h GLN 105 N 2.24 0.48 -0.40 3.23 4.15 -1.83 -0.57 115.11 122.41 3dds h GLN 105 Ca 0.00 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.36 3dds h GLN 105 Cb 0.56 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 3dds h GLN 105 CO 0.00 0.46 0.25 -0.91 -1.93 0.00 0.00 178.83 176.70 3dds h ASN 106 N 0.38 0.41 -0.20 -0.69 2.35 -1.87 0.10 115.58 116.06 3dds h ASN 106 Ca 0.11 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3dds h ASN 106 Cb 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3dds h ASN 106 CO -0.01 0.30 0.04 0.00 -1.65 0.00 0.00 177.43 176.10 3dds h ALA 107 N 1.17 0.26 -0.34 -0.83 0.00 -1.72 -1.45 119.26 116.35 3dds h ALA 107 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dds h ALA 107 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dds h ALA 107 CO -0.06 -0.08 0.19 0.00 0.00 0.00 0.00 179.25 179.31 3dds h ASP 109 N 0.43 -0.01 -0.31 0.00 3.32 -0.70 -0.78 116.42 118.36 3dds h ASP 109 Ca 0.12 0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 3dds h ASP 109 Cb 0.04 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3dds h ASP 109 CO -0.02 -0.01 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.22 3dds h GLU 110 N 0.26 0.68 -0.31 3.56 4.57 -0.77 -1.08 114.58 121.49 3dds h GLU 110 Ca 0.35 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3dds h GLU 110 Cb 0.56 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 3dds h GLU 110 CO -0.45 0.91 0.10 0.00 -1.18 0.00 0.00 179.01 178.39 3dds h ALA 111 N 0.75 0.35 -0.50 2.92 0.00 -0.56 -0.99 119.26 121.23 3dds h ALA 111 Ca 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3dds h ALA 111 Cb 0.73 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3dds h ALA 111 CO 0.05 -0.30 -0.01 0.82 0.00 0.00 0.00 179.25 179.82 3dds h ILE 112 N 0.23 1.26 -0.23 0.00 1.08 -1.05 -1.90 117.51 116.91 3dds h ILE 112 Ca 0.14 -1.09 0.02 0.00 -0.39 0.00 0.00 64.86 63.54 3dds h ILE 112 Cb 0.12 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 3dds h ILE 112 CO -0.15 0.38 0.11 0.22 -0.69 0.00 0.00 178.15 178.02 3dds h TYR 113 N 0.75 0.20 0.00 1.37 3.20 -1.02 -2.26 116.97 119.21 3dds h TYR 113 Ca 0.14 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3dds h TYR 113 Cb 0.53 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 3dds h TYR 113 CO 0.04 0.11 -0.15 1.96 -1.64 0.00 0.00 178.16 178.48 3dds h GLN 114 N 0.24 0.00 0.00 1.82 4.20 -0.95 -0.61 115.11 119.81 3dds h GLN 114 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3dds h GLN 114 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3dds h GLN 114 CO -0.07 0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.53 3dds n LEU 115 N -4.18 0.00 0.00 1.46 4.77 -0.73 -4.90 117.00 113.42 3dds n LEU 115 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3dds n LEU 115 Cb 0.23 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3dds n LEU 115 CO 0.35 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3dds n GLY 116 N 0.69 0.60 3.64 -0.72 0.00 -0.23 -5.06 105.19 104.09 3dds n GLY 116 Ca 0.13 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3dds n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dds s LEU 117 N 0.00 3.09 -0.40 0.99 1.43 -0.88 -5.04 118.68 117.86 3dds s LEU 117 Ca 0.00 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 3dds s LEU 117 Cb 0.00 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.71 3dds s LEU 117 CO 0.00 -0.12 0.25 -0.62 0.23 0.00 0.00 176.35 176.09 3dds s ASP 118 N -3.70 5.79 0.31 2.29 -1.08 -1.26 -4.11 116.67 114.91 3dds s ASP 118 Ca 0.33 -1.16 -0.00 0.00 -0.52 0.00 0.00 52.55 51.21 3dds s ASP 118 Cb -0.04 -2.05 0.51 0.00 -1.46 0.00 0.00 42.92 39.89 3dds s ASP 118 CO 0.20 -0.46 1.94 -0.29 0.52 0.00 0.00 175.17 177.08 3dds h ILE 119 N 5.89 1.13 -0.53 4.11 6.09 -1.93 -1.80 117.51 130.48 3dds h ILE 119 Ca -0.25 -0.36 0.01 0.00 -1.37 0.00 0.00 64.86 62.89 3dds h ILE 119 Cb 1.10 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.36 3dds h ILE 119 CO 0.72 0.19 0.34 -0.08 -3.07 0.00 0.00 178.15 176.25 3dds h GLU 120 N 1.04 0.67 -0.51 2.19 4.81 -1.99 -0.93 114.58 119.86 3dds h GLU 120 Ca 0.34 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3dds h GLU 120 Cb 0.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3dds h GLU 120 CO -0.10 0.44 0.31 1.49 -0.73 0.00 0.00 179.01 180.42 3dds h GLU 121 N 0.69 0.70 -0.39 1.92 4.81 -1.78 -0.83 114.58 119.70 3dds h GLU 121 Ca 0.20 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3dds h GLU 121 Cb -0.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3dds h GLU 121 CO -0.06 0.50 0.26 -0.07 -0.73 0.00 0.00 179.01 178.91 3dds h LEU 122 N 0.69 0.45 -1.36 1.64 3.38 -1.17 -2.87 115.31 116.06 3dds h LEU 122 Ca 0.18 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3dds h LEU 122 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3dds h LEU 122 CO -0.03 0.33 -0.00 -0.33 0.09 0.00 0.00 178.44 178.49 3dds h GLU 123 N 0.53 0.42 0.00 1.13 5.08 -0.76 -2.52 114.58 118.46 3dds h GLU 123 Ca 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dds h GLU 123 Cb -0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3dds h GLU 123 CO -0.03 0.45 0.00 0.39 -1.00 0.00 0.00 179.01 178.82 3dds n GLU 124 N -4.31 0.23 0.19 2.33 -0.58 -0.35 -2.91 120.64 115.24 3dds n GLU 124 Ca 0.01 0.34 0.04 0.00 -0.42 0.00 0.00 57.16 57.13 3dds n GLU 124 Cb 0.22 -1.85 0.38 0.00 -0.57 0.00 0.00 31.44 29.62 3dds n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3dds h ILE 125 N 0.00 1.16 -3.34 -3.67 1.08 -1.35 -3.45 117.51 107.93 3dds h ILE 125 Ca 0.00 -1.29 -0.52 0.00 -0.39 0.00 0.00 64.86 62.66 3dds h ILE 125 Cb 0.52 1.71 0.03 0.00 -3.07 0.00 0.00 36.82 36.02 3dds h ILE 125 CO 0.00 0.36 0.66 -0.70 -0.69 0.00 0.00 178.15 177.78 3dds s GLU 126 N -4.08 4.37 0.37 2.37 2.12 -1.14 -5.01 118.70 117.70 3dds s GLU 126 Ca -0.02 2.07 -0.25 0.00 0.36 0.00 0.00 54.97 57.12 3dds s GLU 126 Cb 0.14 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 3dds s GLU 126 CO 0.71 -0.28 1.03 -1.21 -0.54 0.00 0.00 175.26 174.97 3dds s GLU 127 N 0.00 4.32 0.37 4.30 0.41 -1.26 -4.96 118.70 121.88 3dds s GLU 127 Ca 0.58 1.50 -0.28 0.00 -0.41 0.00 0.00 54.97 56.36 3dds s GLU 127 Cb -0.37 -2.68 -0.10 0.00 -1.78 0.00 0.00 34.13 29.21 3dds s GLU 127 CO 0.38 0.00 1.36 -0.51 -0.49 0.00 0.00 175.26 175.99 3dds s ASP 128 N -1.50 6.47 -0.98 -0.19 1.11 -1.26 -4.58 116.67 115.75 3dds s ASP 128 Ca 0.54 2.79 -0.22 0.00 0.18 0.00 0.00 52.55 55.84 3dds s ASP 128 Cb -0.22 -2.65 0.07 0.00 1.07 0.00 0.00 42.92 41.19 3dds s ASP 128 CO 0.28 -0.75 1.35 0.00 1.18 0.00 0.00 175.17 177.23 3dds s ALA 129 N -1.17 2.90 -0.84 5.23 0.00 -0.42 -4.90 121.76 122.54 3dds s ALA 129 Ca 0.53 -2.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 3dds s ALA 129 Cb -0.41 -4.38 0.15 0.00 0.00 0.00 0.00 23.12 18.48 3dds s ALA 129 CO 0.55 -3.42 2.45 0.41 0.00 0.00 0.00 175.76 175.75 3dds n GLY 130 N 6.43 4.97 1.90 0.00 0.00 -1.26 -2.13 105.19 115.10 3dds n GLY 130 Ca 0.29 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 3dds n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dds n LEU 131 N 0.86 6.43 -3.84 0.99 4.77 -1.19 -0.86 117.00 124.16 3dds n LEU 131 Ca 0.54 -3.31 -0.07 0.00 -0.03 0.00 0.00 56.01 53.14 3dds n LEU 131 Cb 0.38 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 3dds n LEU 131 CO 0.49 1.21 0.48 -0.83 -1.33 0.00 0.00 177.39 177.40 3dds s GLY 132 N 0.02 -0.11 -0.22 -0.72 0.00 -1.26 -1.27 107.32 103.76 3dds s GLY 132 Ca 0.33 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.84 3dds s GLY 132 CO -0.00 -0.08 -0.06 0.70 0.00 0.00 0.00 173.10 173.67 3dds n ASN 133 N -0.46 1.42 0.00 1.64 3.02 -1.26 -4.46 115.26 115.17 3dds n ASN 133 Ca -0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3dds n ASN 133 Cb 0.59 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 3dds n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dds n GLY 134 N 2.07 0.65 0.33 7.41 0.00 -1.26 -4.90 105.19 109.48 3dds n GLY 134 Ca -0.40 0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 3dds n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dds h GLY 135 N 0.00 1.05 0.85 -0.02 0.00 -1.98 -1.32 103.07 101.64 3dds h GLY 135 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3dds h GLY 135 CO 0.00 0.49 -0.00 -2.00 0.00 0.00 0.00 176.54 175.02 3dds h LEU 136 N 0.97 -0.01 -0.84 3.11 6.46 -1.99 -0.00 115.31 123.00 3dds h LEU 136 Ca 0.24 -0.15 -0.10 0.00 -0.12 0.00 0.00 57.88 57.74 3dds h LEU 136 Cb 0.12 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3dds h LEU 136 CO -0.03 0.14 -0.23 1.23 -0.62 0.00 0.00 178.44 178.93 3dds h GLY 137 N -0.16 0.65 1.80 3.75 0.00 -1.78 -2.77 103.07 104.56 3dds h GLY 137 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 3dds h GLY 137 CO 0.00 0.49 -0.67 -0.09 0.00 0.00 0.00 176.54 176.27 3dds h ARG 138 N 0.53 0.20 -0.51 4.80 9.65 -1.15 -1.21 114.38 126.70 3dds h ARG 138 Ca 0.08 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3dds h ARG 138 Cb 0.69 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 3dds h ARG 138 CO 0.05 0.80 0.32 1.25 2.80 0.00 0.00 179.97 185.19 3dds h LEU 139 N 0.14 0.60 -0.83 3.80 5.85 -0.81 -0.59 115.31 123.47 3dds h LEU 139 Ca -0.01 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3dds h LEU 139 Cb 1.20 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 3dds h LEU 139 CO 0.10 0.46 0.48 0.00 -0.34 0.00 0.00 178.44 179.14 3dds h ALA 140 N 1.17 1.16 -0.13 1.25 0.00 -1.38 0.36 119.26 121.69 3dds h ALA 140 Ca 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3dds h ALA 140 Cb -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dds h ALA 140 CO -0.04 0.14 0.02 0.00 0.00 0.00 0.00 179.25 179.38 3dds h ALA 141 N 1.44 0.17 -0.66 0.00 0.00 -1.13 -1.22 119.26 117.85 3dds h ALA 141 Ca 0.39 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3dds h ALA 141 Cb 0.30 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3dds h ALA 141 CO -0.22 -0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.24 3dds h PHE 143 N 0.74 0.70 -0.67 0.00 -1.00 -0.71 -1.04 116.94 114.96 3dds h PHE 143 Ca 0.28 0.02 0.05 0.00 2.81 0.00 0.00 57.97 61.13 3dds h PHE 143 Cb 0.11 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.38 3dds h PHE 143 CO -0.06 0.41 0.38 -0.07 -1.61 0.00 0.00 178.31 177.36 3dds h LEU 144 N 0.75 0.57 -0.18 1.54 3.38 -0.94 0.23 115.31 120.66 3dds h LEU 144 Ca 0.24 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3dds h LEU 144 Cb -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3dds h LEU 144 CO -0.09 0.38 0.08 -0.78 0.09 0.00 0.00 178.44 178.12 3dds h ASP 145 N 0.71 0.23 -0.44 -0.43 3.58 -1.12 -2.02 116.42 116.93 3dds h ASP 145 Ca 0.29 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 3dds h ASP 145 Cb 0.16 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3dds h ASP 145 CO -0.17 0.29 0.13 0.28 -2.88 0.00 0.00 179.24 176.89 3dds h SER 146 N 0.16 0.64 -0.62 2.28 0.02 -0.83 -0.99 113.55 114.21 3dds h SER 146 Ca 0.06 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 3dds h SER 146 Cb 0.12 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3dds h SER 146 CO -0.01 0.68 0.28 0.24 -1.14 0.00 0.00 176.83 176.89 3dds h MET 147 N 0.57 0.93 -0.34 3.45 2.86 -0.49 -0.38 114.93 121.52 3dds h MET 147 Ca 0.14 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 3dds h MET 147 Cb 0.28 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3dds h MET 147 CO -0.00 0.74 -0.24 0.00 1.06 0.00 0.00 176.91 178.47 3dds h ALA 148 N 1.39 0.49 -0.05 6.32 0.00 -1.22 -1.19 119.26 125.00 3dds h ALA 148 Ca 0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3dds h ALA 148 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dds h ALA 148 CO -0.02 0.47 -0.18 1.15 0.00 0.00 0.00 179.25 180.66 3dds h THR 149 N 0.54 1.16 -0.13 0.00 2.02 -0.75 -2.14 112.91 113.61 3dds h THR 149 Ca 0.07 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3dds h THR 149 Cb 0.80 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3dds h THR 149 CO 0.06 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.35 3dds n LEU 150 N -4.28 1.77 -0.82 2.58 4.77 -0.19 -4.75 117.00 116.08 3dds n LEU 150 Ca -0.02 -0.69 -0.09 0.00 -0.03 0.00 0.00 56.01 55.18 3dds n LEU 150 Cb 0.27 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3dds n LEU 150 CO 0.37 0.35 -0.10 0.61 -1.33 0.00 0.00 177.39 177.29 3dds n GLY 151 N 1.18 0.78 3.78 -0.72 0.00 -0.81 -0.72 105.19 108.68 3dds n GLY 151 Ca 0.17 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3dds n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dds s LEU 152 N -2.29 4.29 -1.38 0.99 1.43 -0.48 -4.05 118.68 117.18 3dds s LEU 152 Ca 0.00 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.88 3dds s LEU 152 Cb 0.00 -4.05 0.04 0.00 0.03 0.00 0.00 46.19 42.21 3dds s LEU 152 CO 0.00 -0.22 2.07 0.00 0.23 0.00 0.00 176.35 178.43 3dds n ALA 153 N 0.39 4.80 -2.96 4.21 0.00 -1.26 -4.67 120.51 121.02 3dds n ALA 153 Ca 0.03 -3.83 -0.31 0.00 0.00 0.00 0.00 53.44 49.32 3dds n ALA 153 Cb 0.49 -3.56 -0.17 0.00 0.00 0.00 0.00 19.45 16.21 3dds n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dds s ALA 154 N 3.72 2.13 0.01 0.00 0.00 -1.26 -1.18 121.76 125.17 3dds s ALA 154 Ca 0.50 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.55 3dds s ALA 154 Cb 0.11 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3dds s ALA 154 CO -0.03 0.35 -0.24 0.71 0.00 0.00 0.00 175.76 176.55 3dds s TYR 155 N 0.07 2.39 -0.05 0.00 2.02 -0.40 -4.07 117.35 117.32 3dds s TYR 155 Ca -0.10 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.06 3dds s TYR 155 Cb -0.15 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.89 3dds s TYR 155 CO 0.06 0.08 0.40 0.20 -1.57 0.00 0.00 175.55 174.73 3dds s GLY 156 N -0.98 2.42 -0.11 0.71 0.00 -0.81 -0.87 107.32 107.68 3dds s GLY 156 Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.61 3dds s GLY 156 CO 0.01 0.31 -0.20 -0.19 0.00 0.00 0.00 173.10 173.04 3dds s TYR 157 N -0.49 2.31 0.00 1.90 2.02 -0.39 -0.48 117.35 122.22 3dds s TYR 157 Ca 0.23 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 3dds s TYR 157 Cb -0.16 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 3dds s TYR 157 CO 0.11 -0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.02 3dds n GLY 158 N 3.91 3.62 3.45 0.71 0.00 -0.88 -1.82 105.19 114.17 3dds n GLY 158 Ca -0.20 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3dds n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dds s ILE 159 N -2.32 3.19 -1.08 -0.61 1.01 -1.26 -1.20 121.20 118.92 3dds s ILE 159 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 3dds s ILE 159 Cb 0.00 -2.30 0.12 0.00 0.01 0.00 0.00 42.46 40.29 3dds s ILE 159 CO 0.00 0.56 1.37 -0.60 0.00 0.00 0.00 174.94 176.27 3dds s ARG 160 N -0.22 3.80 0.20 2.79 3.52 -0.06 -4.73 118.95 124.26 3dds s ARG 160 Ca 0.01 -1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 53.38 3dds s ARG 160 Cb -0.13 -5.13 -0.09 0.00 -1.56 0.00 0.00 34.95 28.03 3dds s ARG 160 CO 0.03 -1.92 1.40 0.71 -0.81 0.00 0.00 175.30 174.71 3dds s TYR 161 N 2.98 3.14 0.35 5.12 2.02 -1.26 -4.71 117.35 124.99 3dds s TYR 161 Ca 0.41 1.04 0.06 0.00 -0.37 0.00 0.00 57.07 58.21 3dds s TYR 161 Cb -0.02 -3.74 0.64 0.00 -0.40 0.00 0.00 41.96 38.45 3dds s TYR 161 CO -0.04 -2.44 1.87 1.49 -1.57 0.00 0.00 175.55 174.86 3dds h GLU 162 N 5.62 0.43 -4.68 -0.62 4.81 -0.93 -3.41 114.58 115.80 3dds h GLU 162 Ca -0.45 -0.10 -0.59 0.00 -0.13 0.00 0.00 59.36 58.09 3dds h GLU 162 Cb 1.21 -0.06 -0.35 0.00 0.63 0.00 0.00 28.75 30.18 3dds h GLU 162 CO 0.80 0.51 -0.83 0.71 -0.73 0.00 0.00 179.01 179.47 3dds s TYR 163 N -4.84 2.05 0.00 0.92 2.02 0.02 -4.33 117.35 113.18 3dds s TYR 163 Ca -0.07 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.57 3dds s TYR 163 Cb 0.15 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 3dds s TYR 163 CO 0.76 -0.58 0.00 0.41 -1.57 0.00 0.00 175.55 174.57 3dds n GLY 164 N 4.52 0.47 3.72 0.71 0.00 -1.23 -1.77 105.19 111.61 3dds n GLY 164 Ca -0.18 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3dds n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dds n ILE 165 N 0.00 0.15 -1.56 -0.61 0.13 -0.04 -4.52 119.36 112.91 3dds n ILE 165 Ca 0.00 -0.04 -0.38 0.00 -1.10 0.00 0.00 62.75 61.23 3dds n ILE 165 Cb 0.00 -1.98 0.05 0.00 -0.84 0.00 0.00 39.64 36.87 3dds n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 3dds n PHE 166 N 3.69 0.20 -2.72 9.51 -1.74 -1.26 -4.60 117.46 120.54 3dds n PHE 166 Ca 0.15 0.44 -0.42 0.00 -0.56 0.00 0.00 57.45 57.06 3dds n PHE 166 Cb 0.35 -2.06 -0.03 0.00 1.52 0.00 0.00 39.48 39.26 3dds n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3dds s ASN 167 N -1.24 7.38 -0.20 5.98 0.01 -0.22 -4.90 114.94 121.76 3dds s ASN 167 Ca 0.73 1.67 -0.09 0.00 -0.71 0.00 0.00 52.86 54.47 3dds s ASN 167 Cb -0.42 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.62 3dds s ASN 167 CO 0.50 -0.23 0.10 -1.58 -1.51 0.00 0.00 177.10 174.38 3dds s GLN 168 N 0.85 4.04 0.30 -0.60 0.74 -1.26 -0.65 119.66 123.09 3dds s GLN 168 Ca 0.51 -0.30 0.09 0.00 0.05 0.00 0.00 55.36 55.71 3dds s GLN 168 Cb -0.21 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.50 3dds s GLN 168 CO 0.28 0.23 -0.12 0.15 -0.55 0.00 0.00 175.29 175.29 3dds s LYS 169 N 0.53 1.69 -0.16 1.67 1.02 -0.63 -3.73 119.74 120.14 3dds s LYS 169 Ca 0.05 -1.84 -0.01 0.00 0.02 0.00 0.00 55.97 54.20 3dds s LYS 169 Cb -0.12 -1.55 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 3dds s LYS 169 CO 0.00 0.17 -0.12 0.42 -0.92 0.00 0.00 175.35 174.90 3dds s ILE 170 N -2.70 3.03 -0.07 2.17 -1.09 -1.26 -0.30 121.20 120.97 3dds s ILE 170 Ca 0.30 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 3dds s ILE 170 Cb 0.01 -2.30 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 3dds s ILE 170 CO 0.14 0.50 -0.08 -0.13 -1.23 0.00 0.00 174.94 174.14 3dds s ARG 171 N 0.73 1.37 -1.70 2.79 1.81 0.17 -4.74 118.95 119.38 3dds s ARG 171 Ca -0.05 -0.26 -0.17 0.00 -1.72 0.00 0.00 55.73 53.53 3dds s ARG 171 Cb -0.15 -1.28 0.15 0.00 -0.45 0.00 0.00 34.95 33.22 3dds s ARG 171 CO 0.02 -0.09 0.70 -3.47 -0.68 0.00 0.00 175.30 171.78 3dds n ASP 172 N 4.24 -2.70 0.00 0.23 2.03 -1.26 -1.34 116.55 117.75 3dds n ASP 172 Ca -0.20 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.06 3dds n ASP 172 Cb 0.51 -2.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.32 3dds n ASP 172 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dds n GLY 173 N -1.45 1.52 3.73 0.27 0.00 -1.26 -5.03 105.19 102.97 3dds n GLY 173 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3dds n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dds s TRP 174 N -3.65 3.12 0.26 1.61 0.52 -0.45 -4.01 118.94 116.34 3dds s TRP 174 Ca 0.00 0.07 -0.31 0.00 0.02 0.00 0.00 56.10 55.88 3dds s TRP 174 Cb 0.00 -1.63 -0.12 0.00 -1.15 0.00 0.00 33.47 30.58 3dds s TRP 174 CO 0.00 0.50 1.65 -1.14 0.02 0.00 0.00 176.95 177.98 3dds s GLN 175 N -2.06 4.12 0.12 4.98 0.74 -1.26 -0.66 119.66 125.63 3dds s GLN 175 Ca 0.25 2.60 0.08 0.00 0.05 0.00 0.00 55.36 58.34 3dds s GLN 175 Cb -0.12 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 3dds s GLN 175 CO 0.17 -0.69 -0.20 0.14 -0.55 0.00 0.00 175.29 174.16 3dds s VAL 176 N 0.47 1.74 -0.10 1.34 -7.23 0.59 -4.87 120.40 112.34 3dds s VAL 176 Ca 0.68 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 3dds s VAL 176 Cb -0.49 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 3dds s VAL 176 CO 0.42 -0.12 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.45 3dds s GLU 177 N -2.12 3.16 0.11 4.82 8.01 -1.26 -1.60 118.70 129.81 3dds s GLU 177 Ca 0.09 -0.47 0.10 0.00 0.01 0.00 0.00 54.97 54.69 3dds s GLU 177 Cb -0.09 -2.79 -0.04 0.00 -4.31 0.00 0.00 34.13 26.90 3dds s GLU 177 CO 0.05 0.54 -0.25 -1.21 0.01 0.00 0.00 175.26 174.40 3dds s GLU 178 N -0.46 1.57 0.26 1.61 2.02 0.18 -4.99 118.70 118.90 3dds s GLU 178 Ca 0.08 -1.26 -0.31 0.00 0.02 0.00 0.00 54.97 53.50 3dds s GLU 178 Cb -0.12 -1.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.03 3dds s GLU 178 CO 0.02 0.47 1.66 0.00 0.02 0.00 0.00 175.26 177.43 3dds s ALA 179 N -1.02 3.84 -1.25 5.21 0.00 -1.26 -1.05 121.76 126.23 3dds s ALA 179 Ca 0.14 1.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 3dds s ALA 179 Cb -0.10 -3.68 0.13 0.00 0.00 0.00 0.00 23.12 19.47 3dds s ALA 179 CO 0.06 -0.97 1.56 -3.47 0.00 0.00 0.00 175.76 172.94 3dds n ASP 180 N 2.96 5.11 -3.35 0.00 2.03 -1.26 -4.65 116.55 117.38 3dds n ASP 180 Ca 0.12 -2.95 -0.39 0.00 0.52 0.00 0.00 54.79 52.08 3dds n ASP 180 Cb 0.36 -1.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.09 3dds n ASP 180 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3dds n ASP 181 N 6.74 8.36 0.21 1.67 2.03 -1.26 -3.49 116.55 130.80 3dds n ASP 181 Ca 0.42 -2.62 0.15 0.00 0.52 0.00 0.00 54.79 53.25 3dds n ASP 181 Cb 0.44 -1.56 0.65 0.00 -0.72 0.00 0.00 41.12 39.94 3dds n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3dds h TRP 182 N 5.06 0.00 -0.58 -0.67 5.08 -1.91 -2.57 115.95 120.36 3dds h TRP 182 Ca 0.84 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.81 3dds h TRP 182 Cb 0.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 3dds h TRP 182 CO 1.84 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.28 3dds n LEU 183 N -2.64 3.60 -0.26 0.11 4.77 -1.26 -4.61 117.00 116.71 3dds n LEU 183 Ca 0.01 -1.71 0.04 0.00 -0.03 0.00 0.00 56.01 54.32 3dds n LEU 183 Cb 0.22 -0.38 0.17 0.00 -2.33 0.00 0.00 43.42 41.10 3dds n LEU 183 CO 0.21 0.85 1.04 -0.09 -1.33 0.00 0.00 177.39 178.08 3dds h ARG 184 N 4.20 0.51 -0.72 3.23 2.43 -1.85 -0.61 114.38 121.56 3dds h ARG 184 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3dds h ARG 184 Cb 0.95 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3dds h ARG 184 CO 0.00 0.34 0.00 0.66 -1.51 0.00 0.00 179.97 179.46 3dds n TYR 185 N -4.94 1.13 0.00 2.20 4.01 -1.26 -5.07 117.16 113.24 3dds n TYR 185 Ca 0.13 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 3dds n TYR 185 Cb 0.37 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 3dds n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dds n GLY 186 N 1.55 -0.67 2.72 2.72 0.00 -0.24 -4.95 105.19 106.32 3dds n GLY 186 Ca 0.25 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 3dds n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dds s ASN 187 N -2.67 3.37 0.00 1.61 2.47 -1.26 -4.80 114.94 113.65 3dds s ASN 187 Ca 0.00 -1.14 0.22 0.00 0.42 0.00 0.00 52.86 52.35 3dds s ASN 187 Cb 0.00 -0.67 1.02 0.00 -1.45 0.00 0.00 41.25 40.15 3dds s ASN 187 CO 0.00 -0.35 1.70 -0.81 -3.72 0.00 0.00 177.10 173.92 3dds n PRO 188 N 5.00 0.17 -0.51 0.43 -0.04 -1.26 -3.29 135.00 135.49 3dds n PRO 188 Ca -0.06 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 3dds n PRO 188 Cb 0.45 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.75 3dds n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3dds n TRP 189 N -1.39 1.25 -4.30 0.54 7.02 -1.26 -4.87 117.44 114.44 3dds n TRP 189 Ca 0.08 -0.57 -0.23 0.00 -1.02 0.00 0.00 57.50 55.76 3dds n TRP 189 Cb 0.21 -0.15 -0.12 0.00 -2.42 0.00 0.00 31.31 28.83 3dds n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3dds s GLU 190 N -1.52 1.16 -0.20 -0.99 -1.05 -1.21 -4.15 118.70 110.75 3dds s GLU 190 Ca 0.49 -1.24 0.01 0.00 -0.15 0.00 0.00 54.97 54.08 3dds s GLU 190 Cb 0.29 -1.33 0.03 0.00 -0.44 0.00 0.00 34.13 32.69 3dds s GLU 190 CO 0.27 0.29 -0.15 0.21 0.95 0.00 0.00 175.26 176.84 3dds s LYS 191 N -2.24 2.50 0.03 -4.83 2.47 0.60 -4.92 119.74 113.36 3dds s LYS 191 Ca 0.09 -0.90 -0.30 0.00 -1.56 0.00 0.00 55.97 53.30 3dds s LYS 191 Cb -0.08 -2.53 -0.06 0.00 -1.46 0.00 0.00 37.83 33.69 3dds s LYS 191 CO 0.05 -0.34 1.35 0.45 0.16 0.00 0.00 175.35 177.01 3dds s SER 192 N 1.30 6.90 -0.56 1.43 0.15 -1.26 -1.22 113.70 120.45 3dds s SER 192 Ca 0.01 2.12 0.07 0.00 0.70 0.00 0.00 55.95 58.84 3dds s SER 192 Cb -0.15 -2.57 0.26 0.00 -1.71 0.00 0.00 66.02 61.85 3dds s SER 192 CO -0.10 -0.65 0.71 0.54 1.20 0.00 0.00 173.24 174.95 3dds n ARG 193 N 4.76 2.07 0.31 5.44 1.74 -0.26 -4.95 116.66 125.78 3dds n ARG 193 Ca 0.12 -4.26 0.20 0.00 -0.77 0.00 0.00 57.85 53.14 3dds n ARG 193 Cb 0.44 -1.96 1.01 0.00 -1.02 0.00 0.00 32.46 30.93 3dds n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3dds h PRO 194 N 3.94 0.00 -0.14 5.56 0.11 -1.94 -2.10 132.00 137.43 3dds h PRO 194 Ca 0.15 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.30 3dds h PRO 194 Cb 0.71 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3dds h PRO 194 CO 0.72 0.01 0.20 1.05 -0.21 0.00 0.00 178.00 179.78 3dds h GLU 195 N 0.00 0.00 -0.62 1.05 9.09 -1.95 -2.05 114.58 120.10 3dds h GLU 195 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 3dds h GLU 195 Cb 0.17 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.24 3dds h GLU 195 CO 0.00 0.00 0.06 1.19 0.05 0.00 0.00 179.01 180.31 3dds n PHE 196 N -3.55 2.16 -1.75 2.06 3.72 -0.79 -5.01 117.46 114.30 3dds n PHE 196 Ca 0.01 -0.82 -0.40 0.00 -0.05 0.00 0.00 57.45 56.19 3dds n PHE 196 Cb 0.31 -0.55 0.02 0.00 -0.94 0.00 0.00 39.48 38.32 3dds n PHE 196 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 3dds n MET 197 N 0.47 2.15 -4.16 -1.08 1.56 -0.77 -4.72 117.12 110.57 3dds n MET 197 Ca 0.30 0.77 -0.16 0.00 -0.27 0.00 0.00 57.70 58.34 3dds n MET 197 Cb 1.24 -2.60 -0.12 0.00 2.15 0.00 0.00 33.22 33.88 3dds n MET 197 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3dds s LEU 198 N -2.66 2.19 0.24 -0.89 1.43 -0.73 -4.95 118.68 113.32 3dds s LEU 198 Ca 0.62 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 53.02 3dds s LEU 198 Cb -0.45 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.35 3dds s LEU 198 CO 0.57 -0.09 0.84 -2.16 0.23 0.00 0.00 176.35 175.74 3dds s PRO 199 N -1.23 4.52 -0.05 1.29 0.04 -1.26 -0.24 135.00 138.07 3dds s PRO 199 Ca -0.04 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.22 3dds s PRO 199 Cb -0.08 -3.01 -0.00 0.00 0.04 0.00 0.00 34.50 31.45 3dds s PRO 199 CO 0.01 0.42 -0.19 0.08 0.04 0.00 0.00 177.00 177.36 3dds s VAL 200 N -1.41 1.56 -0.01 -0.36 1.01 0.12 -4.81 120.40 116.50 3dds s VAL 200 Ca 0.43 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3dds s VAL 200 Cb -0.20 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3dds s VAL 200 CO 0.25 0.45 0.02 -1.00 0.00 0.00 0.00 175.10 174.81 3dds s HIS 201 N 0.06 3.13 0.06 5.22 3.76 -1.26 -0.67 115.29 125.58 3dds s HIS 201 Ca -0.05 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 3dds s HIS 201 Cb -0.13 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 3dds s HIS 201 CO 0.03 0.48 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.30 3dds s PHE 202 N -1.08 0.58 0.00 1.40 0.08 -0.05 -4.96 117.98 113.94 3dds s PHE 202 Ca 0.19 -0.88 0.00 0.00 0.12 0.00 0.00 56.93 56.37 3dds s PHE 202 Cb -0.12 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.95 3dds s PHE 202 CO 0.10 -0.26 0.00 0.66 -0.10 0.00 0.00 175.22 175.62 3dds n TYR 203 N 0.47 0.00 -4.62 0.36 4.01 0.45 -0.53 117.16 117.30 3dds n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3dds n TYR 203 Cb 0.59 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 3dds n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dds n GLY 204 N 0.00 0.14 3.52 2.72 0.00 -1.24 -4.60 105.19 105.73 3dds n GLY 204 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 3dds n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dds s LYS 205 N 0.00 1.38 -0.12 1.61 -2.85 0.06 -4.87 119.74 114.94 3dds s LYS 205 Ca 0.00 -0.89 -0.11 0.00 -1.00 0.00 0.00 55.97 53.97 3dds s LYS 205 Cb 0.00 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.24 3dds s LYS 205 CO 0.00 -0.58 0.24 0.08 0.10 0.00 0.00 175.35 175.19 3dds s VAL 206 N -3.88 5.34 -0.11 1.79 1.01 -1.26 -0.47 120.40 122.81 3dds s VAL 206 Ca 0.10 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.55 3dds s VAL 206 Cb -0.01 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 3dds s VAL 206 CO -0.02 0.51 -0.22 -0.70 0.00 0.00 0.00 175.10 174.67 3dds s GLU 207 N -0.34 3.11 -0.42 2.72 2.12 0.10 -4.98 118.70 121.01 3dds s GLU 207 Ca 0.16 -0.84 -0.07 0.00 0.36 0.00 0.00 54.97 54.59 3dds s GLU 207 Cb -0.13 -2.38 0.10 0.00 0.26 0.00 0.00 34.13 31.98 3dds s GLU 207 CO 0.05 0.16 0.25 -1.01 -0.54 0.00 0.00 175.26 174.17 3dds s HIS 208 N 0.40 3.45 0.47 5.30 3.76 -1.26 -1.18 115.29 126.23 3dds s HIS 208 Ca -0.16 -1.96 0.02 0.00 -0.15 0.00 0.00 55.06 52.81 3dds s HIS 208 Cb -0.17 -3.16 -0.01 0.00 1.11 0.00 0.00 32.58 30.34 3dds s HIS 208 CO 0.07 -0.93 0.08 0.95 -0.85 0.00 0.00 174.74 174.06 3dds s THR 209 N 1.30 0.73 0.45 1.30 -4.23 -0.82 -4.99 115.64 109.38 3dds s THR 209 Ca 0.05 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.73 3dds s THR 209 Cb -0.24 -2.17 0.36 0.00 1.34 0.00 0.00 72.50 71.79 3dds s THR 209 CO -0.01 0.00 1.96 0.78 -0.54 0.00 0.00 174.62 176.81 3dds h ASN 210 N 1.53 0.29 0.42 3.99 2.35 -2.05 0.73 115.58 122.84 3dds h ASN 210 Ca -0.38 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3dds h ASN 210 Cb 1.30 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3dds h ASN 210 CO 0.62 0.16 -0.08 0.35 -1.65 0.00 0.00 177.43 176.83 3dds n THR 211 N -4.45 0.00 0.00 2.81 -2.24 -1.26 -5.05 114.28 104.09 3dds n THR 211 Ca 0.12 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3dds n THR 211 Cb 0.49 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3dds n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dds n GLY 212 N 1.28 -0.16 3.64 3.38 0.00 0.25 -5.00 105.19 108.59 3dds n GLY 212 Ca 0.14 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3dds n GLY 212 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dds s THR 213 N 0.00 4.98 -0.03 2.61 2.01 -1.26 -1.94 115.64 122.01 3dds s THR 213 Ca 0.00 1.23 0.08 0.00 0.31 0.00 0.00 61.69 63.30 3dds s THR 213 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 3dds s THR 213 CO 0.00 0.05 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.18 3dds s LYS 214 N 2.29 2.18 -0.39 4.92 -0.14 -0.32 -4.91 119.74 123.38 3dds s LYS 214 Ca 0.29 -0.92 -0.13 0.00 -1.36 0.00 0.00 55.97 53.84 3dds s LYS 214 Cb -0.16 -2.06 0.02 0.00 -1.68 0.00 0.00 37.83 33.95 3dds s LYS 214 CO 0.09 0.53 0.26 -0.46 -0.76 0.00 0.00 175.35 175.02 3dds s TRP 215 N -0.55 3.24 0.34 3.18 -0.00 -1.26 -0.72 118.94 123.18 3dds s TRP 215 Ca 0.08 -0.72 0.08 0.00 -0.00 0.00 0.00 56.10 55.54 3dds s TRP 215 Cb -0.11 -2.53 -0.07 0.00 -0.00 0.00 0.00 33.47 30.77 3dds s TRP 215 CO -0.00 -0.60 -0.04 0.96 -0.00 0.00 0.00 176.95 177.26 3dds s ILE 216 N 1.63 1.93 -1.67 5.86 -4.36 0.38 -4.78 121.20 120.19 3dds s ILE 216 Ca 0.04 -2.11 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 3dds s ILE 216 Cb -0.19 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.82 3dds s ILE 216 CO 0.09 -0.15 0.07 0.47 0.24 0.00 0.00 174.94 175.65 3dds n ASP 217 N -0.78 -5.68 -4.87 4.36 8.00 -1.26 -0.76 116.55 115.56 3dds n ASP 217 Ca -0.05 -0.02 -0.31 0.00 0.71 0.00 0.00 54.79 55.12 3dds n ASP 217 Cb 0.65 -4.72 0.01 0.00 -0.02 0.00 0.00 41.12 37.04 3dds n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dds s THR 218 N -3.00 4.71 0.08 -3.53 -4.23 -1.26 -3.66 115.64 104.74 3dds s THR 218 Ca 0.04 0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 61.31 3dds s THR 218 Cb -0.02 -3.86 -0.06 0.00 1.34 0.00 0.00 72.50 69.90 3dds s THR 218 CO 0.04 -1.12 0.44 -1.10 -0.54 0.00 0.00 174.62 172.34 3dds s GLN 219 N -5.11 3.84 -0.09 3.99 -1.52 0.31 -4.90 119.66 116.18 3dds s GLN 219 Ca 0.55 0.29 0.01 0.00 -1.95 0.00 0.00 55.36 54.26 3dds s GLN 219 Cb -0.11 -3.03 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 3dds s GLN 219 CO 0.53 0.57 -0.09 0.08 -0.25 0.00 0.00 175.29 176.12 3dds s VAL 220 N -1.35 3.49 -0.02 1.09 1.01 -1.26 -0.87 120.40 122.49 3dds s VAL 220 Ca 0.32 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3dds s VAL 220 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3dds s VAL 220 CO 0.17 0.57 -0.16 -0.69 0.00 0.00 0.00 175.10 174.99 3dds s VAL 221 N -0.46 1.30 0.07 2.92 1.01 0.16 -4.43 120.40 120.97 3dds s VAL 221 Ca 0.06 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 3dds s VAL 221 Cb -0.12 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 3dds s VAL 221 CO 0.02 0.37 0.47 -0.76 0.00 0.00 0.00 175.10 175.21 3dds s LEU 222 N -0.21 4.42 -0.26 3.92 1.43 0.00 0.11 118.68 128.09 3dds s LEU 222 Ca 0.03 1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 54.08 3dds s LEU 222 Cb -0.08 -2.90 -0.00 0.00 0.03 0.00 0.00 46.19 43.23 3dds s LEU 222 CO 0.00 0.23 0.04 0.00 0.23 0.00 0.00 176.35 176.85 3dds s ALA 223 N -1.25 3.00 -0.25 4.21 0.00 0.66 -0.76 121.76 127.37 3dds s ALA 223 Ca 0.30 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 3dds s ALA 223 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 3dds s ALA 223 CO 0.17 -0.70 0.09 -1.17 0.00 0.00 0.00 175.76 174.15 3dds s LEU 224 N 1.51 3.52 0.24 0.00 0.20 0.74 -1.77 118.68 123.11 3dds s LEU 224 Ca 0.04 -0.19 -0.20 0.00 0.69 0.00 0.00 54.13 54.47 3dds s LEU 224 Cb -0.16 -1.95 -0.08 0.00 -0.43 0.00 0.00 46.19 43.57 3dds s LEU 224 CO 0.01 -0.04 0.75 -2.16 -0.29 0.00 0.00 176.35 174.62 3dds s PRO 225 N 1.63 4.28 -0.11 0.98 0.04 -1.26 -0.12 135.00 140.44 3dds s PRO 225 Ca 0.06 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.04 3dds s PRO 225 Cb -0.15 -2.85 0.01 0.00 0.04 0.00 0.00 34.50 31.55 3dds s PRO 225 CO 0.05 0.37 -0.18 0.71 0.04 0.00 0.00 177.00 177.99 3dds s TYR 226 N -1.55 2.19 -0.19 0.56 2.02 0.13 -1.10 117.35 119.41 3dds s TYR 226 Ca 0.44 -1.01 -0.07 0.00 -0.37 0.00 0.00 57.07 56.06 3dds s TYR 226 Cb -0.17 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 3dds s TYR 226 CO 0.21 -0.48 0.05 -0.51 -1.57 0.00 0.00 175.55 173.25 3dds s ASP 227 N 0.81 5.46 -0.09 2.29 1.01 -0.35 -1.14 116.67 124.67 3dds s ASP 227 Ca -0.09 0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.21 3dds s ASP 227 Cb -0.16 -1.94 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 3dds s ASP 227 CO 0.00 0.15 -0.16 -0.89 0.21 0.00 0.00 175.17 174.48 3dds s THR 228 N 0.52 2.80 0.34 -1.27 2.01 0.01 -0.29 115.64 119.76 3dds s THR 228 Ca 0.02 -0.78 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 3dds s THR 228 Cb -0.13 -2.12 -0.09 0.00 0.01 0.00 0.00 72.50 70.17 3dds s THR 228 CO 0.01 0.56 1.09 -2.16 -0.69 0.00 0.00 174.62 173.42 3dds s PRO 229 N -0.07 4.38 -0.47 4.92 0.04 -1.26 -0.65 135.00 141.89 3dds s PRO 229 Ca -0.03 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.73 3dds s PRO 229 Cb -0.14 -2.87 0.13 0.00 0.04 0.00 0.00 34.50 31.66 3dds s PRO 229 CO 0.04 0.01 0.22 0.08 0.04 0.00 0.00 177.00 177.39 3dds s VAL 230 N -1.39 2.31 0.09 -0.36 1.01 0.10 -4.85 120.40 117.32 3dds s VAL 230 Ca 0.51 -2.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.20 3dds s VAL 230 Cb -0.28 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3dds s VAL 230 CO 0.35 -0.78 1.07 -2.16 0.00 0.00 0.00 175.10 173.59 3dds s PRO 231 N 0.05 4.56 0.65 2.72 0.04 -1.26 -0.83 135.00 140.93 3dds s PRO 231 Ca 0.16 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 3dds s PRO 231 Cb -0.24 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 30.94 3dds s PRO 231 CO -0.02 -0.01 1.11 0.20 0.04 0.00 0.00 177.00 178.32 3dds s GLY 232 N 0.48 2.18 -0.28 0.56 0.00 0.03 -4.73 107.32 105.55 3dds s GLY 232 Ca 0.52 0.56 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 3dds s GLY 232 CO 0.31 0.91 1.35 -0.47 0.00 0.00 0.00 173.10 175.20 3dds s TYR 233 N -2.31 2.59 -1.35 1.90 5.04 -1.26 -4.10 117.35 117.86 3dds s TYR 233 Ca 0.67 0.82 -0.01 0.00 -2.44 0.00 0.00 57.07 56.11 3dds s TYR 233 Cb -0.21 -3.91 -0.00 0.00 0.35 0.00 0.00 41.96 38.19 3dds s TYR 233 CO 0.41 -1.91 0.55 -1.33 -1.34 0.00 0.00 175.55 171.93 3dds n MET 234 N 7.36 -3.90 -1.55 4.97 2.81 -0.11 -4.90 117.12 121.79 3dds n MET 234 Ca 0.15 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 3dds n MET 234 Cb 0.46 -4.79 0.00 0.00 -0.71 0.00 0.00 33.22 28.18 3dds n MET 234 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dds n ASN 235 N -3.01 0.00 -1.28 7.83 0.23 -1.26 -5.06 115.26 112.72 3dds n ASN 235 Ca -0.30 -0.91 0.11 0.00 -0.53 0.00 0.00 54.58 52.96 3dds n ASN 235 Cb 0.68 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.68 3dds n ASN 235 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3dds n ASN 236 N -2.19 3.73 -4.69 0.53 3.02 -1.26 -4.86 115.26 109.53 3dds n ASN 236 Ca 0.00 -2.00 -0.38 0.00 -0.03 0.00 0.00 54.58 52.17 3dds n ASN 236 Cb 0.00 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 38.66 3dds n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dds s THR 237 N -1.13 5.20 -0.29 3.41 2.01 -1.26 -4.74 115.64 118.85 3dds s THR 237 Ca 0.46 0.78 0.01 0.00 0.31 0.00 0.00 61.69 63.25 3dds s THR 237 Cb 0.24 -3.75 0.09 0.00 0.01 0.00 0.00 72.50 69.09 3dds s THR 237 CO 0.32 0.28 0.04 -0.69 -0.69 0.00 0.00 174.62 173.88 3dds s VAL 238 N 1.06 1.44 0.47 3.82 1.01 -1.26 -0.79 120.40 126.15 3dds s VAL 238 Ca 0.21 -1.57 -0.06 0.00 0.00 0.00 0.00 61.98 60.57 3dds s VAL 238 Cb -0.15 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.38 3dds s VAL 238 CO 0.08 -0.46 0.64 0.59 0.00 0.00 0.00 175.10 175.95 3dds n ASN 239 N 4.64 0.30 -4.12 3.32 3.02 -0.02 -4.63 115.26 117.77 3dds n ASN 239 Ca -0.04 -1.38 -0.22 0.00 -0.03 0.00 0.00 54.58 52.91 3dds n ASN 239 Cb 0.43 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.99 3dds n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dds s THR 240 N -2.15 1.13 -0.29 3.41 2.01 -1.26 0.03 115.64 118.53 3dds s THR 240 Ca 0.38 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 3dds s THR 240 Cb -0.01 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.55 3dds s THR 240 CO 0.26 0.26 0.04 -0.32 -0.69 0.00 0.00 174.62 174.17 3dds s MET 241 N -0.50 2.96 -0.29 4.92 1.75 0.18 -1.92 119.30 126.41 3dds s MET 241 Ca 0.05 -0.93 -0.08 0.00 -1.25 0.00 0.00 55.69 53.48 3dds s MET 241 Cb -0.06 -3.27 -0.00 0.00 2.84 0.00 0.00 34.83 34.33 3dds s MET 241 CO -0.00 -0.46 0.10 0.50 -0.65 0.00 0.00 175.02 174.51 3dds s ARG 242 N 1.44 3.30 -0.11 4.11 3.52 0.37 -0.81 118.95 130.77 3dds s ARG 242 Ca 0.01 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3dds s ARG 242 Cb -0.17 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3dds s ARG 242 CO 0.01 -0.37 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.44 3dds s LEU 243 N 1.56 2.47 -0.02 -0.88 1.43 -0.29 -2.07 118.68 120.88 3dds s LEU 243 Ca 0.04 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 3dds s LEU 243 Cb -0.17 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 3dds s LEU 243 CO 0.04 0.19 0.39 0.26 0.23 0.00 0.00 176.35 177.46 3dds s TRP 244 N 0.20 3.69 -0.03 0.29 0.52 -0.34 -0.70 118.94 122.56 3dds s TRP 244 Ca -0.11 0.94 0.07 0.00 0.02 0.00 0.00 56.10 57.03 3dds s TRP 244 Cb -0.16 -2.30 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 3dds s TRP 244 CO 0.06 0.59 -0.25 0.45 0.02 0.00 0.00 176.95 177.83 3dds s SER 245 N -0.86 2.93 0.05 2.95 0.15 0.83 -0.88 113.70 118.88 3dds s SER 245 Ca 0.23 -0.47 -0.23 0.00 0.70 0.00 0.00 55.95 56.19 3dds s SER 245 Cb -0.16 -0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 63.56 3dds s SER 245 CO 0.12 0.28 0.68 0.00 1.20 0.00 0.00 173.24 175.52 3dds s ALA 246 N -0.39 3.45 0.04 5.45 0.00 -1.26 -0.18 121.76 128.86 3dds s ALA 246 Ca 0.04 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3dds s ALA 246 Cb -0.11 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 3dds s ALA 246 CO 0.01 0.17 -0.07 1.03 0.00 0.00 0.00 175.76 176.89 3dds s ARG 247 N -0.37 0.51 0.35 0.00 1.81 0.06 -4.40 118.95 116.91 3dds s ARG 247 Ca 0.34 -0.72 -0.26 0.00 -1.72 0.00 0.00 55.73 53.38 3dds s ARG 247 Cb -0.20 -0.29 -0.09 0.00 -0.45 0.00 0.00 34.95 33.92 3dds s ARG 247 CO 0.21 0.05 1.03 0.00 -0.68 0.00 0.00 175.30 175.91 3dds s ALA 248 N -1.30 3.20 0.59 2.13 0.00 -1.26 -0.82 121.76 124.30 3dds s ALA 248 Ca -0.09 0.71 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3dds s ALA 248 Cb -0.09 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3dds s ALA 248 CO 0.00 -0.10 1.08 -1.25 0.00 0.00 0.00 175.76 175.50 3dds s PRO 249 N -2.08 3.21 0.00 0.00 0.04 -1.26 -4.83 135.00 130.08 3dds s PRO 249 Ca 0.52 1.35 0.26 0.00 0.04 0.00 0.00 61.00 63.18 3dds s PRO 249 Cb -0.24 -2.01 0.78 0.00 0.04 0.00 0.00 34.50 33.07 3dds s PRO 249 CO 0.30 -0.91 1.58 0.09 0.04 0.00 0.00 177.00 178.10 3dds n ASN 250 N -1.91 0.78 0.00 6.66 3.02 -1.26 -5.11 115.26 117.44 3dds n ASN 250 Ca 0.10 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3dds n ASN 250 Cb 0.52 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 3dds n ASN 250 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dds n ASP 251 N -0.93 0.00 -0.37 6.41 8.00 -1.26 -5.28 116.55 123.12 3dds n ASP 251 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3dds n ASP 251 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3dds n ASP 251 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dds n GLY 260 N 0.00 -1.12 3.66 0.44 0.00 -1.26 -5.32 105.19 101.59 3dds n GLY 260 Ca 0.00 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 3dds n GLY 260 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dds s ASP 261 N -4.00 6.90 0.18 1.61 2.15 -1.26 -4.92 116.67 117.32 3dds s ASP 261 Ca 0.00 1.72 -0.14 0.00 0.43 0.00 0.00 52.55 54.56 3dds s ASP 261 Cb 0.00 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.25 3dds s ASP 261 CO 0.00 -0.80 1.70 0.22 -0.17 0.00 0.00 175.17 176.12 3dds h TYR 262 N 8.42 0.04 -0.13 -5.34 3.20 -2.06 -0.72 116.97 120.38 3dds h TYR 262 Ca -0.28 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.63 3dds h TYR 262 Cb 1.11 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 3dds h TYR 262 CO 0.81 -0.06 0.09 0.82 -1.64 0.00 0.00 178.16 178.18 3dds h ILE 263 N 0.16 1.03 -0.65 1.81 1.08 -2.00 -1.73 117.51 117.20 3dds h ILE 263 Ca 0.24 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.60 3dds h ILE 263 Cb 0.34 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 3dds h ILE 263 CO -0.36 0.03 0.25 -0.61 -0.69 0.00 0.00 178.15 176.78 3dds h GLN 264 N 0.18 0.96 -0.87 2.37 5.75 -1.91 -1.09 115.11 120.49 3dds h GLN 264 Ca 0.05 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 3dds h GLN 264 Cb -0.02 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.32 3dds h GLN 264 CO -0.01 0.79 0.57 0.00 -2.65 0.00 0.00 178.83 177.53 3dds h ALA 265 N 1.34 1.14 -0.33 3.38 0.00 -0.72 0.37 119.26 124.44 3dds h ALA 265 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3dds h ALA 265 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dds h ALA 265 CO -0.02 0.44 -0.11 0.28 0.00 0.00 0.00 179.25 179.84 3dds h VAL 266 N 1.12 1.28 -0.54 0.00 2.07 -0.65 -3.03 116.25 116.51 3dds h VAL 266 Ca 0.34 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3dds h VAL 266 Cb -0.03 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3dds h VAL 266 CO -0.11 0.39 0.28 -0.07 0.02 0.00 0.00 177.57 178.07 3dds h LEU 267 N 0.43 0.67 0.00 2.57 3.38 -0.89 -2.48 115.31 118.99 3dds h LEU 267 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dds h LEU 267 Cb 0.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3dds h LEU 267 CO 0.04 0.56 0.00 0.47 0.09 0.00 0.00 178.44 179.60 3dds n ASP 268 N -4.38 0.00 0.26 -0.43 8.00 0.09 -1.49 116.55 118.60 3dds n ASP 268 Ca 0.05 0.43 0.18 0.00 0.71 0.00 0.00 54.79 56.16 3dds n ASP 268 Cb 0.11 -0.46 0.91 0.00 -0.02 0.00 0.00 41.12 41.66 3dds n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dds h ARG 269 N 0.00 0.00 -0.34 -1.24 3.08 -1.44 -1.93 114.38 112.50 3dds h ARG 269 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3dds h ARG 269 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3dds h ARG 269 CO 0.00 0.00 0.24 -0.91 -1.07 0.00 0.00 179.97 178.23 3dds h ASN 270 N 0.00 0.06 -0.51 7.04 2.35 -1.48 -2.89 115.58 120.16 3dds h ASN 270 Ca 0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3dds h ASN 270 Cb 0.46 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3dds h ASN 270 CO -0.00 0.04 0.05 -0.07 -1.65 0.00 0.00 177.43 175.79 3dds h LEU 271 N 0.07 0.84 -0.30 1.61 3.38 -1.59 0.10 115.31 119.42 3dds h LEU 271 Ca 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3dds h LEU 271 Cb 0.55 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3dds h LEU 271 CO -0.01 0.91 0.02 0.00 0.09 0.00 0.00 178.44 179.44 3dds h ALA 272 N 0.96 0.40 0.00 1.53 0.00 -1.70 -3.05 119.26 117.39 3dds h ALA 272 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dds h ALA 272 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dds h ALA 272 CO 0.02 0.13 -0.04 0.93 0.00 0.00 0.00 179.25 180.29 3dds h GLU 273 N 0.32 0.00 0.00 0.00 5.08 -1.30 -2.43 114.58 116.25 3dds h GLU 273 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dds h GLU 273 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3dds h GLU 273 CO 0.01 0.04 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.14 3dds h ASN 274 N 0.00 0.00 -0.92 1.42 2.35 -0.68 -3.04 115.58 114.71 3dds h ASN 274 Ca -0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3dds h ASN 274 Cb 0.40 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.70 3dds h ASN 274 CO 0.00 0.01 0.57 0.40 -1.65 0.00 0.00 177.43 176.77 3dds h ILE 275 N 0.00 1.00 -0.52 2.81 2.04 -1.58 -2.20 117.51 119.06 3dds h ILE 275 Ca -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3dds h ILE 275 Cb 0.10 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3dds h ILE 275 CO 0.00 0.18 0.00 -1.54 0.00 0.00 0.00 178.15 176.79 3dds n SER 276 N -4.61 5.23 -0.06 1.72 3.41 -1.15 -4.67 113.62 113.49 3dds n SER 276 Ca 0.15 -2.89 -0.13 0.00 -0.26 0.00 0.00 58.87 55.74 3dds n SER 276 Cb 0.24 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 3dds n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3dds h ARG 277 N 3.54 0.45 -2.85 4.33 9.65 -1.47 -2.09 114.38 125.94 3dds h ARG 277 Ca 0.00 -0.25 -0.14 0.00 -1.10 0.00 0.00 59.98 58.49 3dds h ARG 277 Cb 1.80 0.01 -0.25 0.00 -1.39 0.00 0.00 29.97 30.14 3dds h ARG 277 CO 0.40 0.83 -0.31 0.54 2.80 0.00 0.00 179.97 184.23 3dds s VAL 278 N -4.25 -0.01 0.13 0.20 0.11 -1.26 -0.80 120.40 114.52 3dds s VAL 278 Ca -0.14 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.63 3dds s VAL 278 Cb 0.06 -0.51 -0.09 0.00 -1.53 0.00 0.00 36.38 34.32 3dds s VAL 278 CO 0.78 0.01 1.47 -0.22 -3.33 0.00 0.00 175.10 173.80 3dds s LEU 279 N 0.46 4.37 -0.04 2.54 2.96 -0.73 -4.97 118.68 123.26 3dds s LEU 279 Ca -0.02 2.44 -0.30 0.00 -0.22 0.00 0.00 54.13 56.03 3dds s LEU 279 Cb -0.04 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 3dds s LEU 279 CO -0.02 -0.73 1.67 -0.31 -1.32 0.00 0.00 176.35 175.64 3dds s TYR 280 N 1.16 1.97 -0.15 5.38 2.02 -1.26 -4.83 117.35 121.64 3dds s TYR 280 Ca 0.67 0.17 0.01 0.00 -0.37 0.00 0.00 57.07 57.55 3dds s TYR 280 Cb -0.40 -3.93 0.20 0.00 -0.40 0.00 0.00 41.96 37.44 3dds s TYR 280 CO 0.31 -3.92 1.34 -0.35 -1.57 0.00 0.00 175.55 171.35 3dds n PRO 281 N 7.07 1.40 -3.63 -1.71 -0.04 -1.26 -4.87 135.00 131.95 3dds n PRO 281 Ca 0.17 -0.95 -0.36 0.00 -0.04 0.00 0.00 63.50 62.33 3dds n PRO 281 Cb 0.43 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 3dds n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dds s ASN 282 N 0.32 6.39 -0.20 3.54 0.01 -1.26 -4.38 114.94 119.35 3dds s ASN 282 Ca 0.18 0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 52.74 3dds s ASN 282 Cb 0.15 -2.15 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 3dds s ASN 282 CO 0.03 0.17 -0.04 -0.62 -1.51 0.00 0.00 177.10 175.14 3dds s ASP 283 N 0.16 4.49 -1.37 -1.22 -1.08 -1.26 -4.64 116.67 111.75 3dds s ASP 283 Ca 0.14 -0.30 -0.04 0.00 -0.52 0.00 0.00 52.55 51.83 3dds s ASP 283 Cb -0.12 -1.76 0.02 0.00 -1.46 0.00 0.00 42.92 39.60 3dds s ASP 283 CO 0.03 0.04 0.79 0.59 0.52 0.00 0.00 175.17 177.14 3dds n ASN 284 N 4.39 -2.28 -3.66 -0.34 3.02 -1.26 -4.99 115.26 110.15 3dds n ASN 284 Ca -0.18 -0.80 -0.07 0.00 -0.03 0.00 0.00 54.58 53.51 3dds n ASN 284 Cb 0.51 -4.04 -0.07 0.00 -0.61 0.00 0.00 39.78 35.57 3dds n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dds s PHE 285 N -3.56 -1.00 -0.21 3.10 5.36 -1.26 -4.07 117.98 116.34 3dds s PHE 285 Ca 0.20 1.94 -0.20 0.00 -0.96 0.00 0.00 56.93 57.91 3dds s PHE 285 Cb -0.10 0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 43.12 3dds s PHE 285 CO 0.81 -0.51 0.58 0.12 -1.46 0.00 0.00 175.22 174.76 3dds s PHE 286 N 1.92 3.35 -0.26 10.12 5.36 0.13 -4.86 117.98 133.74 3dds s PHE 286 Ca -0.08 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 56.73 3dds s PHE 286 Cb -0.08 -2.75 0.05 0.00 -0.34 0.00 0.00 43.02 39.91 3dds s PHE 286 CO -0.18 -0.17 -0.09 -2.00 -1.46 0.00 0.00 175.22 171.32 3dds s GLU 287 N 1.91 2.42 -0.86 10.12 2.12 -1.26 -4.96 118.70 128.19 3dds s GLU 287 Ca 0.26 -1.24 -0.08 0.00 0.36 0.00 0.00 54.97 54.27 3dds s GLU 287 Cb -0.16 -2.92 -0.15 0.00 0.26 0.00 0.00 34.13 31.16 3dds s GLU 287 CO 0.10 -0.52 3.21 0.41 -0.54 0.00 0.00 175.26 177.92 3dds n GLY 288 N 4.51 3.77 3.81 -1.50 0.00 -1.26 -4.93 105.19 109.59 3dds n GLY 288 Ca -0.15 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 3dds n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dds s LYS 289 N 1.32 4.29 0.27 1.61 -0.14 -1.26 -4.99 119.74 120.84 3dds s LYS 289 Ca 0.67 0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 56.14 3dds s LYS 289 Cb 0.25 -3.08 0.50 0.00 -1.68 0.00 0.00 37.83 33.82 3dds s LYS 289 CO -0.04 0.52 1.83 1.49 -0.76 0.00 0.00 175.35 178.38 3dds h GLU 290 N 3.97 0.91 -0.53 1.68 4.81 -2.00 -2.20 114.58 121.22 3dds h GLU 290 Ca -0.48 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 3dds h GLU 290 Cb 1.20 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 3dds h GLU 290 CO 0.65 0.60 0.07 1.25 -0.73 0.00 0.00 179.01 180.85 3dds h LEU 291 N 0.94 0.81 -0.65 1.64 5.85 -1.98 -0.74 115.31 121.18 3dds h LEU 291 Ca 0.47 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 3dds h LEU 291 Cb 0.44 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3dds h LEU 291 CO -0.26 0.84 0.20 -0.09 -0.34 0.00 0.00 178.44 178.79 3dds h ARG 292 N 0.81 1.00 -0.71 1.25 9.65 -1.78 -1.43 114.38 123.17 3dds h ARG 292 Ca 0.17 -0.22 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3dds h ARG 292 Cb 0.39 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 3dds h ARG 292 CO 0.01 0.88 0.34 1.25 2.80 0.00 0.00 179.97 185.25 3dds h LEU 293 N 0.93 0.93 -0.69 3.80 5.85 -0.85 -1.71 115.31 123.58 3dds h LEU 293 Ca 0.21 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3dds h LEU 293 Cb 0.29 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3dds h LEU 293 CO -0.01 0.80 0.42 0.11 -0.34 0.00 0.00 178.44 179.42 3dds h LYS 294 N 0.99 0.80 -0.42 1.25 1.57 -0.87 -1.11 116.57 118.78 3dds h LYS 294 Ca 0.24 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3dds h LYS 294 Cb 0.12 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3dds h LYS 294 CO -0.03 0.53 0.20 1.96 -0.57 0.00 0.00 179.45 181.53 3dds h GLN 295 N 0.82 0.39 -0.40 3.15 4.20 -0.88 0.69 115.11 123.07 3dds h GLN 295 Ca 0.28 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 3dds h GLN 295 Cb 0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3dds h GLN 295 CO -0.12 0.26 0.21 0.93 -0.67 0.00 0.00 178.83 179.44 3dds h GLU 296 N 0.40 0.57 -0.35 1.46 5.08 -0.90 -2.09 114.58 118.75 3dds h GLU 296 Ca 0.18 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3dds h GLU 296 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3dds h GLU 296 CO -0.14 0.48 -0.37 -0.92 -1.00 0.00 0.00 179.01 177.06 3dds h TYR 297 N 0.52 0.99 -0.03 4.33 3.20 -1.06 -2.86 116.97 122.06 3dds h TYR 297 Ca 0.14 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 61.76 3dds h TYR 297 Cb 0.08 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 3dds h TYR 297 CO -0.02 1.07 -0.22 0.35 -1.64 0.00 0.00 178.16 177.70 3dds h PHE 298 N 0.68 -0.58 -0.65 -3.82 3.57 -0.67 0.15 116.94 115.63 3dds h PHE 298 Ca 0.06 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3dds h PHE 298 Cb 0.93 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3dds h PHE 298 CO 0.05 -0.30 0.09 -0.24 -2.23 0.00 0.00 178.31 175.68 3dds h VAL 299 N -0.33 1.26 -0.08 1.41 3.04 -1.42 -2.48 116.25 117.65 3dds h VAL 299 Ca 0.07 -1.05 -0.01 0.00 -1.01 0.00 0.00 66.70 64.70 3dds h VAL 299 Cb 0.43 0.68 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 3dds h VAL 299 CO -0.22 0.39 0.02 0.58 -1.01 0.00 0.00 177.57 177.33 3dds h VAL 300 N 1.00 1.19 -0.12 1.51 2.07 -1.24 -1.76 116.25 118.88 3dds h VAL 300 Ca 0.19 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3dds h VAL 300 Cb 0.46 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3dds h VAL 300 CO 0.02 0.16 0.03 0.00 0.02 0.00 0.00 177.57 177.79 3dds h ALA 301 N 0.82 0.16 -0.56 1.67 0.00 -0.68 -0.93 119.26 119.74 3dds h ALA 301 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3dds h ALA 301 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3dds h ALA 301 CO -0.00 -0.20 0.28 0.00 0.00 0.00 0.00 179.25 179.33 3dds h ALA 302 N 0.82 0.72 -0.09 0.00 0.00 -1.53 -2.34 119.26 116.84 3dds h ALA 302 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dds h ALA 302 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dds h ALA 302 CO 0.00 0.27 0.03 1.15 0.00 0.00 0.00 179.25 180.71 3dds h THR 303 N 0.75 1.16 -0.72 0.00 2.02 -1.20 -2.02 112.91 112.90 3dds h THR 303 Ca 0.19 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 3dds h THR 303 Cb 0.11 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3dds h THR 303 CO -0.03 0.14 0.26 -0.07 0.37 0.00 0.00 175.52 176.19 3dds h LEU 304 N -0.03 1.01 -0.78 2.58 3.38 -1.15 -0.98 115.31 119.34 3dds h LEU 304 Ca 0.03 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3dds h LEU 304 Cb 0.19 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3dds h LEU 304 CO -0.00 0.93 0.50 1.56 0.09 0.00 0.00 178.44 181.51 3dds h GLN 305 N 1.04 0.94 -0.44 1.13 4.20 -1.36 -1.47 115.11 119.15 3dds h GLN 305 Ca 0.24 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3dds h GLN 305 Cb 0.25 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3dds h GLN 305 CO -0.01 0.62 0.12 0.22 -0.67 0.00 0.00 178.83 179.10 3dds h ASP 306 N 0.97 0.65 -0.58 1.46 3.58 -0.80 -1.05 116.42 120.65 3dds h ASP 306 Ca 0.31 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3dds h ASP 306 Cb 0.02 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 3dds h ASP 306 CO -0.11 0.71 0.27 0.40 -2.88 0.00 0.00 179.24 177.63 3dds h ILE 307 N 0.57 1.21 -0.34 2.25 2.04 -0.96 -1.33 117.51 120.96 3dds h ILE 307 Ca 0.14 -0.60 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 3dds h ILE 307 Cb 0.30 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3dds h ILE 307 CO -0.00 0.24 -0.24 0.40 0.00 0.00 0.00 178.15 178.55 3dds h ILE 308 N 0.79 1.29 -0.41 -0.67 2.04 -1.20 -1.24 117.51 118.10 3dds h ILE 308 Ca 0.20 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.72 3dds h ILE 308 Cb 0.13 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3dds h ILE 308 CO -0.02 0.46 0.13 -0.09 0.00 0.00 0.00 178.15 178.63 3dds h ARG 309 N 0.54 0.28 -0.60 2.37 2.43 -1.07 0.08 114.38 118.41 3dds h ARG 309 Ca 0.07 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3dds h ARG 309 Cb 0.81 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3dds h ARG 309 CO 0.07 0.19 0.24 -0.09 -1.51 0.00 0.00 179.97 178.86 3dds h ARG 310 N 0.29 0.91 -0.24 0.20 2.43 -1.10 -1.95 114.38 114.92 3dds h ARG 310 Ca 0.19 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3dds h ARG 310 Cb 0.19 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3dds h ARG 310 CO -0.21 0.77 0.07 0.35 -1.51 0.00 0.00 179.97 179.44 3dds h PHE 311 N 0.84 0.12 -0.33 2.20 3.57 -0.82 -2.02 116.94 120.50 3dds h PHE 311 Ca 0.20 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3dds h PHE 311 Cb 0.21 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3dds h PHE 311 CO 0.01 0.05 0.04 0.87 -2.23 0.00 0.00 178.31 177.05 3dds h LYS 312 N 0.17 0.50 0.00 1.11 1.57 -0.82 -1.63 116.57 117.47 3dds h LYS 312 Ca 0.11 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dds h LYS 312 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dds h LYS 312 CO -0.12 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 3dds h ALA 313 N 1.56 1.00 -2.35 3.86 0.00 -1.15 -3.39 119.26 118.79 3dds h ALA 313 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.57 3dds h ALA 313 Cb 0.26 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.19 3dds h ALA 313 CO 0.00 0.00 0.33 -1.54 0.00 0.00 0.00 179.25 178.04 3dds s SER 314 N -4.78 3.28 0.43 0.00 1.04 -0.62 -4.88 113.70 108.17 3dds s SER 314 Ca 0.08 0.74 0.30 0.00 0.48 0.00 0.00 55.95 57.55 3dds s SER 314 Cb 0.11 -1.14 1.38 0.00 0.10 0.00 0.00 66.02 66.47 3dds s SER 314 CO 0.57 -2.67 1.89 0.11 0.98 0.00 0.00 173.24 174.12 3dds h LYS 315 N -1.58 0.00 -0.01 4.02 1.57 -1.84 -0.99 116.57 117.74 3dds h LYS 315 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3dds h LYS 315 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3dds h LYS 315 CO 0.54 0.00 -0.15 1.19 -0.57 0.00 0.00 179.45 180.46 3dds n PHE 316 N -2.63 0.00 -2.29 -1.35 3.72 -1.26 -4.86 117.46 108.78 3dds n PHE 316 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3dds n PHE 316 Cb 0.19 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 3dds n PHE 316 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3dds s GLY 317 N -2.46 1.98 0.12 1.37 0.00 -0.38 -4.97 107.32 102.99 3dds s GLY 317 Ca 0.28 0.85 -0.20 0.00 0.00 0.00 0.00 44.72 45.65 3dds s GLY 317 CO 0.48 2.38 0.49 -1.35 0.00 0.00 0.00 173.10 175.11 3dds s SER 318 N 1.63 -0.39 -0.03 1.64 1.04 -1.26 -4.94 113.70 111.40 3dds s SER 318 Ca 0.62 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.99 3dds s SER 318 Cb -0.30 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 3dds s SER 318 CO 0.26 -0.87 -0.19 -0.89 0.98 0.00 0.00 173.24 172.54 3dds s THR 319 N -3.51 1.51 0.42 2.02 2.01 -1.26 -1.17 115.64 115.65 3dds s THR 319 Ca 0.01 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.22 3dds s THR 319 Cb 0.00 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.25 3dds s THR 319 CO -0.10 0.43 0.05 0.54 -0.69 0.00 0.00 174.62 174.84 3dds n ARG 320 N 2.85 0.97 -0.32 4.92 1.74 0.45 -4.95 116.66 122.32 3dds n ARG 320 Ca -0.16 -2.99 0.13 0.00 -0.77 0.00 0.00 57.85 54.05 3dds n ARG 320 Cb 0.53 0.73 0.31 0.00 -1.02 0.00 0.00 32.46 33.01 3dds n ARG 320 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3dds h GLY 321 N 0.93 1.65 0.33 -0.13 0.00 -2.00 0.10 103.07 103.94 3dds h GLY 321 Ca -0.34 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3dds h GLY 321 CO 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.93 3dds n ALA 322 N -2.40 2.49 0.00 3.60 0.00 -1.26 -5.01 120.51 117.94 3dds n ALA 322 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3dds n ALA 322 Cb 0.60 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3dds n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dds n GLY 323 N 0.58 -0.93 3.77 0.00 0.00 0.35 -4.96 105.19 104.00 3dds n GLY 323 Ca 0.07 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 3dds n GLY 323 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dds s THR 324 N 0.00 2.18 -0.26 2.61 2.01 -1.26 -0.41 115.64 120.50 3dds s THR 324 Ca 0.00 0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 3dds s THR 324 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 3dds s THR 324 CO 0.00 0.03 0.57 -0.69 -0.69 0.00 0.00 174.62 173.85 3dds s VAL 325 N -0.65 5.02 -1.78 3.82 1.01 -0.32 -4.87 120.40 122.63 3dds s VAL 325 Ca 0.56 0.98 0.17 0.00 0.00 0.00 0.00 61.98 63.69 3dds s VAL 325 Cb -0.46 -3.89 0.31 0.00 0.00 0.00 0.00 36.38 32.34 3dds s VAL 325 CO 0.55 0.04 1.22 0.49 0.00 0.00 0.00 175.10 177.40 3dds n PHE 326 N 5.65 0.36 -0.33 5.22 3.72 -1.26 -4.62 117.46 126.19 3dds n PHE 326 Ca -0.02 -0.25 0.13 0.00 -0.05 0.00 0.00 57.45 57.25 3dds n PHE 326 Cb 0.49 -0.01 0.31 0.00 -0.94 0.00 0.00 39.48 39.34 3dds n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3dds h ASP 327 N 3.25 0.66 -0.13 4.37 5.19 -1.99 -0.38 116.42 127.39 3dds h ASP 327 Ca 0.00 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3dds h ASP 327 Cb 0.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.30 3dds h ASP 327 CO 0.00 0.20 0.00 0.00 -3.12 0.00 0.00 179.24 176.32 3dds n ALA 328 N -2.37 2.52 -0.02 3.45 0.00 -1.26 -4.50 120.51 118.34 3dds n ALA 328 Ca 0.22 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 3dds n ALA 328 Cb 0.58 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 3dds n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3dds h PHE 329 N 2.67 -0.49 0.00 0.00 3.57 -1.37 -0.57 116.94 120.76 3dds h PHE 329 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dds h PHE 329 Cb 0.58 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3dds h PHE 329 CO 0.08 -0.26 0.00 -0.35 -2.23 0.00 0.00 178.31 175.54 3dds n PRO 330 N -5.33 0.08 0.16 6.41 -0.04 -1.26 -0.64 135.00 134.38 3dds n PRO 330 Ca -0.02 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 3dds n PRO 330 Cb 0.25 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.51 3dds n PRO 330 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3dds h ASP 331 N 0.00 0.00 0.00 3.54 3.32 -1.41 -3.36 116.42 118.51 3dds h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dds h ASP 331 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3dds h ASP 331 CO 0.00 0.00 -0.40 0.00 -1.72 0.00 0.00 179.24 177.12 3dds n GLN 332 N -2.66 4.48 -3.73 3.56 1.13 -0.39 -4.57 117.38 115.21 3dds n GLN 332 Ca 0.05 -0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 54.92 3dds n GLN 332 Cb 0.47 -0.82 -0.17 0.00 0.11 0.00 0.00 30.24 29.83 3dds n GLN 332 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3dds s VAL 333 N -1.66 -0.07 -0.07 5.09 1.01 0.19 -1.21 120.40 123.68 3dds s VAL 333 Ca 0.02 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.37 3dds s VAL 333 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 3dds s VAL 333 CO 0.25 0.14 -0.23 0.00 0.00 0.00 0.00 175.10 175.25 3dds s ALA 334 N 1.65 2.22 -0.18 5.51 0.00 -0.34 -4.44 121.76 126.18 3dds s ALA 334 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3dds s ALA 334 Cb -0.12 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.26 3dds s ALA 334 CO -0.03 0.38 -0.17 0.42 0.00 0.00 0.00 175.76 176.35 3dds s ILE 335 N -0.02 1.91 -0.20 0.00 1.01 -0.38 -0.54 121.20 122.99 3dds s ILE 335 Ca -0.08 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 3dds s ILE 335 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3dds s ILE 335 CO 0.05 0.47 0.30 -1.58 0.00 0.00 0.00 174.94 174.18 3dds s GLN 336 N 1.34 4.17 -0.41 2.79 2.00 -0.24 -1.94 119.66 127.37 3dds s GLN 336 Ca 0.04 0.05 -0.21 0.00 -2.00 0.00 0.00 55.36 53.24 3dds s GLN 336 Cb -0.13 -3.50 0.02 0.00 0.80 0.00 0.00 33.01 30.19 3dds s GLN 336 CO -0.12 0.07 0.64 -0.51 -0.50 0.00 0.00 175.29 174.88 3dds s LEU 337 N 0.99 4.39 -0.88 3.68 1.43 0.25 -1.63 118.68 126.90 3dds s LEU 337 Ca 0.15 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 3dds s LEU 337 Cb -0.14 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.37 3dds s LEU 337 CO 0.06 -0.71 1.34 0.21 0.23 0.00 0.00 176.35 177.47 3dds s ASN 338 N 1.93 6.35 0.53 2.29 2.47 -0.87 -1.67 114.94 125.97 3dds s ASN 338 Ca 0.24 -1.04 0.00 0.00 0.42 0.00 0.00 52.86 52.48 3dds s ASN 338 Cb -0.14 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3dds s ASN 338 CO 0.18 -1.63 0.00 -0.67 -3.72 0.00 0.00 177.10 171.26 3dds n ASP 339 N 8.93 -3.11 -0.36 -4.21 -0.08 -0.60 -4.15 116.55 112.97 3dds n ASP 339 Ca 0.18 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.60 3dds n ASP 339 Cb 0.50 0.00 0.58 0.00 2.34 0.00 0.00 41.12 44.54 3dds n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3dds n THR 340 N -1.01 0.00 -0.33 5.18 -2.24 -1.26 -4.36 114.28 110.26 3dds n THR 340 Ca 0.00 -0.19 0.04 0.00 -2.27 0.00 0.00 64.05 61.63 3dds n THR 340 Cb 0.00 0.30 0.22 0.00 -2.10 0.00 0.00 70.33 68.75 3dds n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3dds h HIS 341 N 1.76 1.10 -0.75 4.78 3.86 -1.96 0.60 115.15 124.54 3dds h HIS 341 Ca 0.00 0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 58.96 3dds h HIS 341 Cb 0.41 -0.36 -0.17 0.00 1.06 0.00 0.00 27.41 28.36 3dds h HIS 341 CO 0.00 0.56 0.36 -0.35 0.86 0.00 0.00 177.93 179.36 3dds n PRO 342 N -4.50 3.05 -0.10 2.45 -0.04 -1.26 -4.63 135.00 129.97 3dds n PRO 342 Ca 0.15 -2.75 0.19 0.00 -0.04 0.00 0.00 63.50 61.05 3dds n PRO 342 Cb 0.21 -2.11 0.60 0.00 -0.04 0.00 0.00 33.50 32.15 3dds n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dds h ALA 343 N 2.16 2.34 0.00 0.55 0.00 -1.14 -0.69 119.26 122.48 3dds h ALA 343 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3dds h ALA 343 Cb 2.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.13 3dds h ALA 343 CO 0.78 -0.53 0.08 -0.07 0.00 0.00 0.00 179.25 179.51 3dds h LEU 344 N 0.21 0.00 -1.37 0.00 3.38 -1.82 -2.06 115.31 113.65 3dds h LEU 344 Ca 0.33 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.48 3dds h LEU 344 Cb 1.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 3dds h LEU 344 CO -0.07 0.00 0.58 0.00 0.09 0.00 0.00 178.44 179.05 3dds h ALA 345 N 1.80 2.00 0.81 1.53 0.00 -1.48 -0.88 119.26 123.05 3dds h ALA 345 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dds h ALA 345 Cb 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dds h ALA 345 CO 0.00 -0.27 -0.39 0.82 0.00 0.00 0.00 179.25 179.41 3dds h ILE 346 N 0.55 0.00 0.00 0.00 2.04 -1.60 -0.31 117.51 118.20 3dds h ILE 346 Ca 0.47 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 66.12 3dds h ILE 346 Cb 0.95 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3dds h ILE 346 CO -0.21 0.00 -0.16 1.55 0.00 0.00 0.00 178.15 179.33 3dds h PRO 347 N -1.26 0.00 -0.42 2.37 0.13 -1.73 -2.40 132.00 128.69 3dds h PRO 347 Ca -0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.94 3dds h PRO 347 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3dds h PRO 347 CO 0.18 0.16 -0.03 1.49 -0.23 0.00 0.00 178.00 179.58 3dds h GLU 348 N 0.00 0.76 -0.69 0.86 4.57 -1.08 0.85 114.58 119.84 3dds h GLU 348 Ca -0.00 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.87 3dds h GLU 348 Cb 0.32 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3dds h GLU 348 CO 0.02 0.85 0.22 1.25 -1.18 0.00 0.00 179.01 180.18 3dds h LEU 349 N 0.59 1.00 -0.61 1.64 5.85 -0.84 -0.78 115.31 122.15 3dds h LEU 349 Ca 0.11 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3dds h LEU 349 Cb 0.53 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3dds h LEU 349 CO 0.03 0.94 0.33 0.24 -0.34 0.00 0.00 178.44 179.63 3dds h MET 350 N 1.01 0.85 -0.39 1.25 2.86 -1.31 0.26 114.93 119.46 3dds h MET 350 Ca 0.22 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3dds h MET 350 Cb 0.29 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3dds h MET 350 CO -0.01 0.66 0.18 -0.09 1.06 0.00 0.00 176.91 178.71 3dds h ARG 351 N 0.83 0.36 0.03 1.72 2.43 -0.38 0.21 114.38 119.58 3dds h ARG 351 Ca 0.21 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3dds h ARG 351 Cb 0.06 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3dds h ARG 351 CO -0.03 0.24 -0.01 0.82 -1.51 0.00 0.00 179.97 179.47 3dds h ILE 352 N 0.37 1.12 -0.28 1.20 2.04 -0.89 0.21 117.51 121.27 3dds h ILE 352 Ca 0.17 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3dds h ILE 352 Cb 0.10 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3dds h ILE 352 CO -0.13 0.11 0.13 -0.26 0.00 0.00 0.00 178.15 178.00 3dds h PHE 353 N -0.22 0.25 0.00 1.37 0.04 -0.69 0.16 116.94 117.84 3dds h PHE 353 Ca -0.00 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 3dds h PHE 353 Cb 0.21 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3dds h PHE 353 CO -0.01 0.13 -0.72 0.28 -0.60 0.00 0.00 178.31 177.39 3dds h VAL 354 N 0.28 1.26 0.06 -0.55 2.07 -0.56 0.61 116.25 119.42 3dds h VAL 354 Ca 0.12 -2.23 -0.25 0.00 0.82 0.00 0.00 66.70 65.16 3dds h VAL 354 Cb 0.05 2.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3dds h VAL 354 CO -0.09 0.43 -1.08 0.44 0.02 0.00 0.00 177.57 177.29 3dds h ASP 355 N -1.00 0.60 0.00 0.57 3.32 -0.72 -3.01 116.42 116.18 3dds h ASP 355 Ca -0.20 -0.53 -0.45 0.00 0.02 0.00 0.00 57.03 55.87 3dds h ASP 355 Cb 1.16 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 3dds h ASP 355 CO -0.12 1.35 -2.51 -0.38 -1.72 0.00 0.00 179.24 175.86 3dds n ILE 356 N -3.71 1.53 0.99 0.35 2.08 -0.96 -4.53 119.36 115.11 3dds n ILE 356 Ca -0.09 -0.40 0.12 0.00 0.56 0.00 0.00 62.75 62.95 3dds n ILE 356 Cb 0.91 -1.84 0.33 0.00 -0.75 0.00 0.00 39.64 38.30 3dds n ILE 356 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3dds n GLU 357 N -4.15 0.01 -2.21 0.38 -0.58 0.00 -4.97 120.64 109.12 3dds n GLU 357 Ca -0.53 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.03 3dds n GLU 357 Cb 0.89 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 3dds n GLU 357 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dds n LYS 358 N -1.52 -1.42 -2.24 3.49 4.76 -0.56 -4.93 118.16 115.74 3dds n LYS 358 Ca 0.06 0.92 -0.36 0.00 -2.87 0.00 0.00 58.31 56.06 3dds n LYS 358 Cb 0.34 -5.39 -0.00 0.00 -1.84 0.00 0.00 35.03 28.13 3dds n LYS 358 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dds s LEU 359 N -5.04 3.88 0.42 -0.35 1.43 0.10 -4.97 118.68 114.15 3dds s LEU 359 Ca 0.00 2.27 -0.26 0.00 -1.03 0.00 0.00 54.13 55.10 3dds s LEU 359 Cb 0.00 -4.40 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3dds s LEU 359 CO 0.00 -1.09 1.42 -2.84 0.23 0.00 0.00 176.35 174.07 3dds s PRO 360 N -2.98 3.85 0.20 1.29 0.02 -1.26 -4.42 135.00 131.70 3dds s PRO 360 Ca 0.68 2.41 -0.13 0.00 0.02 0.00 0.00 61.00 63.98 3dds s PRO 360 Cb -0.27 -2.76 0.21 0.00 0.02 0.00 0.00 34.50 31.70 3dds s PRO 360 CO 0.32 -0.68 1.66 2.35 -0.33 0.00 0.00 177.00 180.31 3dds h TRP 361 N 2.58 -0.17 -0.60 6.54 2.91 -1.97 -1.67 115.95 123.58 3dds h TRP 361 Ca -0.51 0.05 0.05 0.00 1.13 0.00 0.00 58.89 59.61 3dds h TRP 361 Cb 1.25 0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 30.01 3dds h TRP 361 CO 0.51 -0.19 0.32 0.66 -1.03 0.00 0.00 178.44 178.71 3dds h SER 362 N 0.05 0.47 -0.18 2.65 4.64 -1.99 0.39 113.55 119.58 3dds h SER 362 Ca 0.28 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 3dds h SER 362 Cb 0.43 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3dds h SER 362 CO -0.52 0.31 -0.05 0.50 -0.87 0.00 0.00 176.83 176.20 3dds h LYS 363 N 0.60 0.35 -0.80 4.77 3.64 -1.81 -2.19 116.57 121.14 3dds h LYS 363 Ca 0.26 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3dds h LYS 363 Cb 0.16 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 3dds h LYS 363 CO -0.17 0.62 0.49 0.00 -2.27 0.00 0.00 179.45 178.12 3dds h ALA 364 N 0.72 1.08 -0.58 5.00 0.00 -0.99 -1.20 119.26 123.30 3dds h ALA 364 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3dds h ALA 364 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3dds h ALA 364 CO 0.02 0.22 -0.03 2.35 0.00 0.00 0.00 179.25 181.81 3dds h TRP 365 N 0.90 1.14 -0.37 0.00 -0.00 -0.85 -0.50 115.95 116.27 3dds h TRP 365 Ca 0.35 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.89 59.02 3dds h TRP 365 Cb 0.15 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.00 3dds h TRP 365 CO -0.04 1.03 0.23 1.49 -0.00 0.00 0.00 178.44 181.14 3dds h GLU 366 N 0.93 0.51 -0.74 2.65 4.81 -0.99 -1.66 114.58 120.09 3dds h GLU 366 Ca 0.16 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3dds h GLU 366 Cb 0.59 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3dds h GLU 366 CO 0.04 0.38 0.22 -0.07 -0.73 0.00 0.00 179.01 178.84 3dds h LEU 367 N 0.49 1.08 0.17 1.64 3.38 -1.08 -2.69 115.31 118.31 3dds h LEU 367 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dds h LEU 367 Cb 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3dds h LEU 367 CO -0.03 1.01 -0.09 0.74 0.09 0.00 0.00 178.44 180.17 3dds h THR 368 N 1.10 0.81 -0.92 0.22 2.02 -0.85 -2.00 112.91 113.30 3dds h THR 368 Ca 0.24 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.47 3dds h THR 368 Cb 0.32 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3dds h THR 368 CO -0.01 0.00 0.60 1.56 0.37 0.00 0.00 175.52 178.04 3dds h GLN 369 N -0.24 1.06 0.00 6.66 4.20 -1.25 -1.79 115.11 123.74 3dds h GLN 369 Ca -0.02 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3dds h GLN 369 Cb 0.19 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3dds h GLN 369 CO 0.03 0.70 -0.17 0.87 -0.67 0.00 0.00 178.83 179.59 3dds h LYS 370 N 1.09 0.00 0.19 1.46 1.57 -1.22 -1.68 116.57 117.98 3dds h LYS 370 Ca 0.38 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.90 3dds h LYS 370 Cb 0.12 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.46 3dds h LYS 370 CO -0.13 0.17 -1.13 1.15 -0.57 0.00 0.00 179.45 178.94 3dds h THR 371 N 0.00 1.40 -2.82 -0.16 2.02 -0.58 -3.47 112.91 109.30 3dds h THR 371 Ca -0.00 -2.60 -0.64 0.00 0.77 0.00 0.00 66.41 63.94 3dds h THR 371 Cb 0.73 3.11 -0.06 0.00 -1.74 0.00 0.00 68.15 70.19 3dds h THR 371 CO 0.02 0.76 -0.39 -0.36 0.37 0.00 0.00 175.52 175.92 3dds s PHE 372 N -2.54 3.61 0.06 3.16 0.08 -0.92 -1.24 117.98 120.19 3dds s PHE 372 Ca -0.11 0.63 0.04 0.00 0.12 0.00 0.00 56.93 57.60 3dds s PHE 372 Cb 0.02 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3dds s PHE 372 CO 0.89 0.67 -0.11 0.00 -0.10 0.00 0.00 175.22 176.57 3dds s ALA 373 N -1.15 0.86 -0.09 5.36 0.00 -0.82 -1.42 121.76 124.49 3dds s ALA 373 Ca 0.22 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.31 3dds s ALA 373 Cb -0.13 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3dds s ALA 373 CO 0.11 0.06 -0.18 -0.47 0.00 0.00 0.00 175.76 175.28 3dds s TYR 374 N -1.42 2.03 -0.25 0.00 5.04 -0.40 -0.58 117.35 121.78 3dds s TYR 374 Ca -0.06 -0.85 -0.08 0.00 -2.44 0.00 0.00 57.07 53.65 3dds s TYR 374 Cb -0.09 -1.42 -0.03 0.00 0.35 0.00 0.00 41.96 40.77 3dds s TYR 374 CO 0.01 -0.39 0.09 0.99 -1.34 0.00 0.00 175.55 174.91 3dds s THR 375 N 0.62 4.50 -0.06 4.34 2.01 -0.67 -1.32 115.64 125.05 3dds s THR 375 Ca -0.14 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.55 3dds s THR 375 Cb -0.16 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 3dds s THR 375 CO 0.04 0.34 0.56 0.21 -0.69 0.00 0.00 174.62 175.08 3dds s ASN 376 N 1.52 6.85 0.00 3.53 3.84 0.03 -1.55 114.94 129.16 3dds s ASN 376 Ca 0.06 1.02 0.03 0.00 0.21 0.00 0.00 52.86 54.18 3dds s ASN 376 Cb -0.15 -2.34 0.03 0.00 -0.55 0.00 0.00 41.25 38.24 3dds s ASN 376 CO 0.05 0.02 0.64 1.41 -2.79 0.00 0.00 177.10 176.43 3dds n HIS 377 N 3.30 0.01 -3.57 0.43 8.25 -1.26 -4.15 115.22 118.24 3dds n HIS 377 Ca -0.06 -0.04 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 3dds n HIS 377 Cb 0.51 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 3dds n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3dds s THR 378 N -0.33 0.00 -0.97 1.59 -1.32 -1.26 -4.60 115.64 108.76 3dds s THR 378 Ca 0.04 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.62 3dds s THR 378 Cb 0.03 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.23 3dds s THR 378 CO 0.04 0.00 1.10 1.33 -2.21 0.00 0.00 174.62 174.88 3dds n VAL 379 N 0.83 0.68 -2.15 5.08 0.24 -1.26 -5.00 118.33 116.76 3dds n VAL 379 Ca -0.12 -0.84 -0.42 0.00 -2.04 0.00 0.00 64.34 60.91 3dds n VAL 379 Cb 0.58 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 3dds n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dds s LEU 380 N -0.95 4.30 0.31 1.34 1.43 -1.26 -4.91 118.68 118.94 3dds s LEU 380 Ca 0.18 2.12 0.04 0.00 -1.03 0.00 0.00 54.13 55.43 3dds s LEU 380 Cb 0.10 -3.55 0.64 0.00 0.03 0.00 0.00 46.19 43.42 3dds s LEU 380 CO 0.14 -0.82 1.86 -0.65 0.23 0.00 0.00 176.35 177.10 3dds h PRO 381 N 8.61 0.87 0.00 1.29 0.11 -1.97 -1.75 132.00 139.15 3dds h PRO 381 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3dds h PRO 381 Cb 1.17 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3dds h PRO 381 CO 0.94 0.58 0.00 1.05 -0.21 0.00 0.00 178.00 180.35 3dds h GLU 382 N 0.90 0.00 0.00 1.05 9.09 -1.91 -2.38 114.58 121.33 3dds h GLU 382 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 3dds h GLU 382 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3dds h GLU 382 CO -0.23 0.00 -0.63 0.00 0.05 0.00 0.00 179.01 178.19 3dds n ALA 383 N -1.80 3.30 -2.45 1.06 0.00 -0.66 -0.69 120.51 119.27 3dds n ALA 383 Ca 0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3dds n ALA 383 Cb 0.19 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 3dds n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dds s LEU 384 N -3.60 4.37 -0.37 0.00 1.43 -0.90 -4.16 118.68 115.46 3dds s LEU 384 Ca 0.08 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.87 3dds s LEU 384 Cb 0.15 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.82 3dds s LEU 384 CO 0.72 -0.45 1.09 -1.61 0.23 0.00 0.00 176.35 176.33 3dds s GLU 385 N 1.08 3.95 -0.40 1.70 2.02 -1.26 -4.74 118.70 121.05 3dds s GLU 385 Ca 0.58 0.90 0.01 0.00 0.02 0.00 0.00 54.97 56.48 3dds s GLU 385 Cb -0.29 -3.79 0.13 0.00 0.10 0.00 0.00 34.13 30.28 3dds s GLU 385 CO 0.29 -1.05 0.20 1.03 0.02 0.00 0.00 175.26 175.74 3dds s ARG 386 N 3.89 1.10 -0.02 1.61 0.52 -1.26 -2.50 118.95 122.29 3dds s ARG 386 Ca 0.46 -1.72 -0.28 0.00 -0.52 0.00 0.00 55.73 53.67 3dds s ARG 386 Cb -0.11 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 3dds s ARG 386 CO 0.21 -1.12 0.90 -1.58 0.02 0.00 0.00 175.30 173.73 3dds s TRP 387 N 0.73 3.63 0.29 -0.53 0.52 -0.95 -4.69 118.94 117.95 3dds s TRP 387 Ca 0.16 1.57 -0.30 0.00 0.02 0.00 0.00 56.10 57.54 3dds s TRP 387 Cb -0.23 -3.03 -0.12 0.00 -1.15 0.00 0.00 33.47 28.94 3dds s TRP 387 CO -0.06 0.01 1.53 -2.30 0.02 0.00 0.00 176.95 176.15 3dds n PRO 388 N 3.90 2.52 0.07 4.98 -0.02 -1.26 0.14 135.00 145.33 3dds n PRO 388 Ca 0.04 0.90 0.02 0.00 -2.02 0.00 0.00 63.50 62.43 3dds n PRO 388 Cb 0.51 -2.63 0.36 0.00 -0.02 0.00 0.00 33.50 31.72 3dds n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3dds h VAL 389 N 3.20 1.18 -0.28 -1.45 -1.51 -1.60 -2.66 116.25 113.12 3dds h VAL 389 Ca -0.47 -0.75 -0.09 0.00 -1.23 0.00 0.00 66.70 64.16 3dds h VAL 389 Cb 1.24 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 3dds h VAL 389 CO 0.76 0.24 -0.22 0.44 -1.23 0.00 0.00 177.57 177.57 3dds h ASP 390 N 0.33 0.53 -0.30 4.19 3.32 -1.90 0.20 116.42 122.80 3dds h ASP 390 Ca 0.07 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3dds h ASP 390 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3dds h ASP 390 CO 0.02 0.75 -0.02 0.25 -1.72 0.00 0.00 179.24 178.51 3dds h LEU 391 N 0.47 0.53 -0.71 1.55 5.85 -1.87 -2.22 115.31 118.91 3dds h LEU 391 Ca 0.07 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3dds h LEU 391 Cb 0.64 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3dds h LEU 391 CO 0.05 0.73 -0.02 0.58 -0.34 0.00 0.00 178.44 179.44 3dds h VAL 392 N 0.32 1.26 -0.58 1.05 2.07 -1.20 -1.77 116.25 117.40 3dds h VAL 392 Ca 0.08 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3dds h VAL 392 Cb 0.47 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3dds h VAL 392 CO 0.02 0.41 0.35 -0.08 0.02 0.00 0.00 177.57 178.28 3dds h GLU 393 N 0.89 0.67 -0.08 1.57 4.81 -0.55 0.45 114.58 122.33 3dds h GLU 393 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3dds h GLU 393 Cb 0.55 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3dds h GLU 393 CO 0.03 0.44 0.02 -0.22 -0.73 0.00 0.00 179.01 178.56 3dds h LYS 394 N 0.69 0.13 0.17 1.92 3.64 -1.17 -3.11 116.57 118.83 3dds h LYS 394 Ca 0.23 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.27 3dds h LYS 394 Cb 0.03 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3dds h LYS 394 CO -0.10 0.29 -1.59 1.25 -2.27 0.00 0.00 179.45 177.03 3dds h LEU 395 N -0.06 0.56 -5.94 5.20 5.85 -1.19 -3.38 115.31 116.34 3dds h LEU 395 Ca 0.03 -0.91 -0.53 0.00 0.84 0.00 0.00 57.88 57.30 3dds h LEU 395 Cb 0.22 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 40.66 3dds h LEU 395 CO -0.00 1.72 -1.05 0.18 -0.34 0.00 0.00 178.44 178.94 3dds n LEU 396 N -3.73 1.24 -0.26 2.25 4.77 0.16 -0.41 117.00 121.02 3dds n LEU 396 Ca -0.24 -5.00 0.03 0.00 -0.03 0.00 0.00 56.01 50.77 3dds n LEU 396 Cb 1.01 0.43 0.25 0.00 -2.33 0.00 0.00 43.42 42.79 3dds n LEU 396 CO 0.49 2.19 1.24 1.55 -1.33 0.00 0.00 177.39 181.54 3dds h PRO 397 N 3.48 0.97 -0.14 3.23 0.13 -1.53 -1.66 132.00 136.48 3dds h PRO 397 Ca 0.10 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.02 3dds h PRO 397 Cb 0.86 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3dds h PRO 397 CO 0.55 0.64 -0.57 -0.09 -0.23 0.00 0.00 178.00 178.31 3dds h ARG 398 N 1.00 0.44 -0.38 0.86 9.65 -1.90 -2.44 114.38 121.62 3dds h ARG 398 Ca 0.34 -0.28 -0.09 0.00 -1.10 0.00 0.00 59.98 58.84 3dds h ARG 398 Cb 0.08 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3dds h ARG 398 CO -0.11 0.89 -0.15 0.45 2.80 0.00 0.00 179.97 183.85 3dds h HIS 399 N 0.33 0.76 -0.32 2.20 3.86 -1.70 -0.93 115.15 119.36 3dds h HIS 399 Ca 0.00 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3dds h HIS 399 Cb 1.09 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 3dds h HIS 399 CO 0.04 0.80 0.18 1.25 0.86 0.00 0.00 177.93 181.06 3dds h LEU 400 N 0.62 0.39 -0.33 2.43 5.85 -1.13 0.29 115.31 123.43 3dds h LEU 400 Ca 0.10 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3dds h LEU 400 Cb 0.61 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3dds h LEU 400 CO 0.04 0.35 0.05 -0.33 -0.34 0.00 0.00 178.44 178.20 3dds h GLU 401 N 0.40 0.15 -0.57 1.25 5.08 -1.16 -0.19 114.58 119.55 3dds h GLU 401 Ca 0.11 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dds h GLU 401 Cb 0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3dds h GLU 401 CO -0.02 0.10 0.28 0.82 -1.00 0.00 0.00 179.01 179.19 3dds h ILE 402 N 0.15 1.20 -0.58 3.13 2.04 -0.97 -0.91 117.51 121.56 3dds h ILE 402 Ca 0.15 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3dds h ILE 402 Cb 0.18 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3dds h ILE 402 CO -0.22 0.23 0.35 0.40 0.00 0.00 0.00 178.15 178.91 3dds h ILE 403 N 0.77 1.17 -1.01 -0.67 2.04 -0.60 -0.13 117.51 119.08 3dds h ILE 403 Ca 0.20 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3dds h ILE 403 Cb 0.10 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 3dds h ILE 403 CO -0.03 0.18 0.67 1.88 0.00 0.00 0.00 178.15 180.85 3dds h TYR 404 N 0.79 1.26 -0.36 1.37 0.05 -0.62 -0.74 116.97 118.73 3dds h TYR 404 Ca 0.21 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.93 3dds h TYR 404 Cb -0.02 -0.43 -0.01 0.00 1.01 0.00 0.00 36.73 37.29 3dds h TYR 404 CO -0.02 0.79 -0.12 1.49 -1.05 0.00 0.00 178.16 179.25 3dds h GLU 405 N 1.36 0.71 -0.38 4.88 4.57 -0.75 -0.01 114.58 124.97 3dds h GLU 405 Ca 0.37 -0.29 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3dds h GLU 405 Cb -0.16 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 3dds h GLU 405 CO -0.08 0.89 0.11 0.82 -1.18 0.00 0.00 179.01 179.57 3dds h ILE 406 N 0.50 0.86 -0.77 2.32 2.04 -0.78 -2.01 117.51 119.67 3dds h ILE 406 Ca 0.09 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3dds h ILE 406 Cb 0.65 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3dds h ILE 406 CO 0.04 0.05 0.36 -1.13 0.00 0.00 0.00 178.15 177.47 3dds h ASN 407 N 0.26 1.02 -0.11 1.72 -1.24 -0.95 -0.55 115.58 115.72 3dds h ASN 407 Ca 0.18 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3dds h ASN 407 Cb 0.17 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 3dds h ASN 407 CO -0.19 0.88 0.06 -0.61 -1.29 0.00 0.00 177.43 176.27 3dds h GLN 408 N 1.09 0.16 -0.05 6.67 5.75 -0.66 0.14 115.11 128.22 3dds h GLN 408 Ca 0.26 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.64 3dds h GLN 408 Cb 0.14 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3dds h GLN 408 CO -0.03 0.21 -0.43 0.87 -2.65 0.00 0.00 178.83 176.80 3dds h LYS 409 N 0.07 0.10 0.02 1.69 1.57 -1.29 -0.36 116.57 118.38 3dds h LYS 409 Ca 0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dds h LYS 409 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3dds h LYS 409 CO -0.01 0.52 -0.01 1.25 -0.57 0.00 0.00 179.45 180.64 3dds h HIS 410 N 0.09 -0.02 -0.06 -1.35 2.76 -0.78 -2.93 115.15 112.86 3dds h HIS 410 Ca 0.01 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 3dds h HIS 410 Cb 0.81 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3dds h HIS 410 CO 0.01 0.19 -0.53 -0.07 -1.30 0.00 0.00 177.93 176.22 3dds h LEU 411 N -0.23 0.17 -1.11 0.26 3.38 -0.52 -2.69 115.31 114.57 3dds h LEU 411 Ca -0.00 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dds h LEU 411 Cb 0.22 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3dds h LEU 411 CO 0.00 0.67 0.57 0.44 0.09 0.00 0.00 178.44 180.22 3dds h ASP 412 N 0.12 1.03 -0.60 -0.43 3.32 -1.08 0.27 116.42 119.04 3dds h ASP 412 Ca 0.00 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3dds h ASP 412 Cb 0.98 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3dds h ASP 412 CO 0.08 0.76 0.02 -0.09 -1.72 0.00 0.00 179.24 178.28 3dds h ARG 413 N 1.21 1.04 -0.49 3.56 2.43 -1.31 -2.14 114.38 118.68 3dds h ARG 413 Ca 0.32 -0.32 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3dds h ARG 413 Cb -0.12 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3dds h ARG 413 CO -0.07 1.02 -0.14 0.82 -1.51 0.00 0.00 179.97 180.09 3dds h ILE 414 N 0.94 1.27 -0.60 1.20 2.04 -1.09 -1.87 117.51 119.41 3dds h ILE 414 Ca 0.17 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 3dds h ILE 414 Cb 0.53 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3dds h ILE 414 CO 0.03 0.44 0.22 0.58 0.00 0.00 0.00 178.15 179.42 3dds h VAL 415 N 0.83 1.23 -0.90 1.67 2.07 -0.90 0.95 116.25 121.19 3dds h VAL 415 Ca 0.13 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3dds h VAL 415 Cb 0.69 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3dds h VAL 415 CO 0.05 0.29 0.55 0.00 0.02 0.00 0.00 177.57 178.48 3dds h ALA 416 N 1.08 1.15 0.02 1.67 0.00 -1.19 -2.23 119.26 119.77 3dds h ALA 416 Ca 0.20 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3dds h ALA 416 Cb 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dds h ALA 416 CO -0.01 0.60 -0.96 -0.07 0.00 0.00 0.00 179.25 178.81 3dds h LEU 417 N 1.24 0.28 -6.04 0.00 3.38 -1.11 -3.40 115.31 109.66 3dds h LEU 417 Ca 0.33 -0.25 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 3dds h LEU 417 Cb -0.07 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 40.20 3dds h LEU 417 CO -0.06 1.09 -1.02 0.49 0.09 0.00 0.00 178.44 179.02 3dds n PHE 418 N -3.61 0.32 -0.28 1.13 3.72 0.31 -5.00 117.46 114.05 3dds n PHE 418 Ca -0.04 -3.66 0.16 0.00 -0.05 0.00 0.00 57.45 53.86 3dds n PHE 418 Cb 0.86 -0.38 0.44 0.00 -0.94 0.00 0.00 39.48 39.46 3dds n PHE 418 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3dds h PRO 419 N 4.04 0.53 0.00 -1.08 0.11 -1.63 -2.52 132.00 131.45 3dds h PRO 419 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3dds h PRO 419 Cb 0.84 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3dds h PRO 419 CO 0.52 0.35 -0.72 1.63 -0.21 0.00 0.00 178.00 179.58 3dds n LYS 420 N -4.58 0.06 -3.01 1.05 4.01 -1.26 -4.78 118.16 109.65 3dds n LYS 420 Ca 0.20 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.56 3dds n LYS 420 Cb 0.63 -1.52 -0.02 0.00 -0.51 0.00 0.00 35.03 33.60 3dds n LYS 420 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3dds s ASP 421 N -3.21 6.75 0.18 4.39 -1.08 -0.95 -4.85 116.67 117.90 3dds s ASP 421 Ca 0.09 -2.37 -0.03 0.00 -0.52 0.00 0.00 52.55 49.72 3dds s ASP 421 Cb 0.16 -2.36 0.08 0.00 -1.46 0.00 0.00 42.92 39.35 3dds s ASP 421 CO 0.76 -0.90 1.48 -0.37 0.52 0.00 0.00 175.17 176.66 3dds h VAL 422 N 5.39 1.33 -0.16 1.11 -1.51 -1.86 -3.21 116.25 117.33 3dds h VAL 422 Ca 0.18 -1.88 -0.10 0.00 -1.23 0.00 0.00 66.70 63.66 3dds h VAL 422 Cb 1.00 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 32.01 3dds h VAL 422 CO 1.07 0.58 -0.35 -0.78 -1.23 0.00 0.00 177.57 176.86 3dds h ASP 423 N 0.40 0.35 -0.85 4.19 3.58 -1.99 -2.89 116.42 119.20 3dds h ASP 423 Ca -0.00 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.33 3dds h ASP 423 Cb 1.16 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 3dds h ASP 423 CO 0.11 0.68 0.56 -0.09 -2.88 0.00 0.00 179.24 177.62 3dds h ARG 424 N 0.29 1.09 -0.62 0.28 2.43 -1.97 0.31 114.38 116.18 3dds h ARG 424 Ca 0.03 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3dds h ARG 424 Cb 0.76 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3dds h ARG 424 CO 0.06 0.72 0.41 -0.07 -1.51 0.00 0.00 179.97 179.58 3dds h LEU 425 N 1.12 0.72 -0.46 3.80 3.38 -1.58 -0.55 115.31 121.73 3dds h LEU 425 Ca 0.32 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3dds h LEU 425 Cb -0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3dds h LEU 425 CO -0.08 0.52 0.20 -0.09 0.09 0.00 0.00 178.44 179.08 3dds h ARG 426 N 0.84 0.68 -0.38 1.13 2.43 -1.25 -1.36 114.38 116.47 3dds h ARG 426 Ca 0.23 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3dds h ARG 426 Cb -0.10 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3dds h ARG 426 CO -0.05 0.60 -0.16 0.00 -1.51 0.00 0.00 179.97 178.86 3dds h ARG 427 N 0.61 0.69 -0.01 0.20 3.08 -0.75 -3.24 114.38 114.97 3dds h ARG 427 Ca 0.16 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3dds h ARG 427 Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3dds h ARG 427 CO -0.02 0.82 -0.48 -1.33 -1.07 0.00 0.00 179.97 177.89 3dds n MET 428 N -4.15 0.68 -1.91 0.04 2.81 -0.23 -4.96 117.12 109.40 3dds n MET 428 Ca 0.01 -0.48 -0.38 0.00 -1.81 0.00 0.00 57.70 55.04 3dds n MET 428 Cb 0.38 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.43 3dds n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3dds s SER 429 N -2.65 5.34 0.11 7.83 0.15 -0.52 -4.90 113.70 119.06 3dds s SER 429 Ca 0.18 2.60 0.23 0.00 0.70 0.00 0.00 55.95 59.66 3dds s SER 429 Cb 0.18 -2.62 0.92 0.00 -1.71 0.00 0.00 66.02 62.79 3dds s SER 429 CO 0.62 -1.50 1.73 0.18 1.20 0.00 0.00 173.24 175.46 3dds n LEU 430 N -1.12 0.36 -4.37 3.45 4.77 -1.26 -4.74 117.00 114.09 3dds n LEU 430 Ca 0.11 0.56 -0.34 0.00 -0.03 0.00 0.00 56.01 56.31 3dds n LEU 430 Cb 0.47 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3dds n LEU 430 CO 0.50 -0.24 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.30 3dds s ILE 431 N -3.10 3.42 -0.34 -0.08 -1.09 -1.26 -0.05 121.20 118.70 3dds s ILE 431 Ca 0.09 -0.50 -0.21 0.00 -2.23 0.00 0.00 60.65 57.81 3dds s ILE 431 Cb 0.13 -2.51 -0.00 0.00 -1.58 0.00 0.00 42.46 38.49 3dds s ILE 431 CO 0.45 0.46 0.64 -1.61 -1.23 0.00 0.00 174.94 173.66 3dds s GLU 432 N 0.94 3.76 0.17 2.79 2.02 0.38 -4.96 118.70 123.80 3dds s GLU 432 Ca -0.01 0.15 0.23 0.00 0.02 0.00 0.00 54.97 55.36 3dds s GLU 432 Cb -0.15 -3.78 0.06 0.00 0.10 0.00 0.00 34.13 30.36 3dds s GLU 432 CO 0.01 -0.69 1.08 0.39 0.02 0.00 0.00 175.26 176.07 3dds n GLU 433 N 6.01 0.52 -2.13 1.61 -0.58 -1.26 -1.43 120.64 123.38 3dds n GLU 433 Ca -0.01 0.10 -0.41 0.00 -0.42 0.00 0.00 57.16 56.42 3dds n GLU 433 Cb 0.49 -1.77 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 3dds n GLU 433 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3dds s GLU 434 N -3.32 4.35 4.90 3.49 1.03 -1.26 -4.49 118.70 123.41 3dds s GLU 434 Ca 0.01 2.17 0.00 0.00 0.03 0.00 0.00 54.97 57.18 3dds s GLU 434 Cb 0.11 -3.12 0.00 0.00 -0.80 0.00 0.00 34.13 30.32 3dds s GLU 434 CO 0.78 -0.25 0.00 0.41 -1.33 0.00 0.00 175.26 174.87 3dds n GLY 435 N 1.66 1.84 3.69 -3.83 0.00 -1.26 -4.11 105.19 103.18 3dds n GLY 435 Ca 0.04 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 3dds n GLY 435 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dds s SER 436 N -4.00 7.27 0.24 1.61 1.04 -1.26 -5.03 113.70 113.58 3dds s SER 436 Ca 0.00 1.59 -0.30 0.00 0.48 0.00 0.00 55.95 57.72 3dds s SER 436 Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 3dds s SER 436 CO 0.00 -0.40 1.10 -0.54 0.98 0.00 0.00 173.24 174.38 3dds s LYS 437 N 1.71 4.62 0.07 4.02 1.02 -1.26 -4.81 119.74 125.11 3dds s LYS 437 Ca 0.50 1.78 0.03 0.00 0.02 0.00 0.00 55.97 58.30 3dds s LYS 437 Cb -0.19 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 3dds s LYS 437 CO 0.21 0.16 -0.09 1.03 -0.92 0.00 0.00 175.35 175.74 3dds s ARG 438 N -1.05 0.70 -0.23 1.68 0.52 -0.51 -1.48 118.95 118.59 3dds s ARG 438 Ca 0.46 -0.99 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 3dds s ARG 438 Cb -0.31 -0.42 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 3dds s ARG 438 CO 0.39 0.07 0.43 0.42 0.02 0.00 0.00 175.30 176.63 3dds s ILE 439 N -2.02 5.15 -0.78 1.52 1.01 0.12 -0.47 121.20 125.73 3dds s ILE 439 Ca -0.01 0.75 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 3dds s ILE 439 Cb -0.06 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.69 3dds s ILE 439 CO -0.00 0.19 1.29 0.21 0.00 0.00 0.00 174.94 176.63 3dds s ASN 440 N 1.29 6.22 0.38 3.58 3.84 0.93 -2.24 114.94 128.94 3dds s ASN 440 Ca 0.19 -0.65 0.12 0.00 0.21 0.00 0.00 52.86 52.73 3dds s ASN 440 Cb -0.15 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 38.76 3dds s ASN 440 CO 0.09 -1.76 1.87 0.24 -2.79 0.00 0.00 177.10 174.74 3dds h MET 441 N 9.96 0.07 -0.61 0.43 2.86 -1.78 -2.34 114.93 123.52 3dds h MET 441 Ca -0.20 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3dds h MET 441 Cb 1.04 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 3dds h MET 441 CO 1.30 0.36 0.36 0.00 1.06 0.00 0.00 176.91 179.98 3dds h ALA 442 N 1.65 0.77 -0.75 6.32 0.00 -1.90 -0.90 119.26 124.45 3dds h ALA 442 Ca 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3dds h ALA 442 Cb 0.55 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3dds h ALA 442 CO 0.04 0.26 0.39 0.45 0.00 0.00 0.00 179.25 180.39 3dds h HIS 443 N 0.82 1.05 -0.46 0.00 3.86 -1.81 -0.76 115.15 117.87 3dds h HIS 443 Ca 0.22 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3dds h HIS 443 Cb -0.01 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.09 3dds h HIS 443 CO -0.02 0.76 0.24 1.25 0.86 0.00 0.00 177.93 181.02 3dds h LEU 444 N 1.04 0.36 -1.04 2.43 5.85 -1.13 -2.19 115.31 120.64 3dds h LEU 444 Ca 0.26 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3dds h LEU 444 Cb 0.08 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3dds h LEU 444 CO -0.04 0.25 0.20 0.00 -0.34 0.00 0.00 178.44 178.52 3dds h ILE 446 N 0.87 1.26 -0.00 0.00 2.04 -0.80 -2.83 117.51 118.05 3dds h ILE 446 Ca 0.20 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 65.03 3dds h ILE 446 Cb 0.23 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3dds h ILE 446 CO -0.01 0.27 -0.67 -0.37 0.00 0.00 0.00 178.15 177.36 3dds h VAL 447 N 0.04 1.48 -0.05 1.67 -1.51 -1.36 -3.17 116.25 113.35 3dds h VAL 447 Ca 0.05 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 3dds h VAL 447 Cb 0.41 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3dds h VAL 447 CO 0.01 0.66 0.00 0.61 -1.23 0.00 0.00 177.57 177.62 3dds n GLY 448 N 0.40 -0.04 3.40 5.19 0.00 -0.74 -4.91 105.19 108.48 3dds n GLY 448 Ca -0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3dds n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dds s SER 449 N -1.88 3.24 0.11 1.61 0.01 -1.07 -3.70 113.70 112.03 3dds s SER 449 Ca 0.37 -0.85 0.24 0.00 1.31 0.00 0.00 55.95 57.02 3dds s SER 449 Cb 0.20 -0.23 0.30 0.00 0.21 0.00 0.00 66.02 66.50 3dds s SER 449 CO 0.32 0.10 1.28 0.00 0.41 0.00 0.00 173.24 175.34 3dds n HIS 450 N 0.37 0.52 -3.83 2.43 1.44 -0.51 -4.90 115.22 110.75 3dds n HIS 450 Ca -0.14 0.15 -0.12 0.00 -2.01 0.00 0.00 57.72 55.60 3dds n HIS 450 Cb 0.56 -0.63 -0.12 0.00 0.12 0.00 0.00 29.99 29.92 3dds n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dds s ALA 451 N -3.17 -0.36 -0.06 1.59 0.00 -1.26 -4.65 121.76 113.84 3dds s ALA 451 Ca 0.06 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.36 3dds s ALA 451 Cb 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3dds s ALA 451 CO 0.73 -0.09 -0.09 0.08 0.00 0.00 0.00 175.76 176.39 3dds s VAL 452 N -0.16 0.93 0.05 0.00 1.01 -0.57 -1.27 120.40 120.39 3dds s VAL 452 Ca -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3dds s VAL 452 Cb -0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3dds s VAL 452 CO 0.00 0.32 -0.13 0.54 0.00 0.00 0.00 175.10 175.83 3dds s ASN 453 N 0.88 1.55 0.64 3.32 4.22 -0.44 -0.15 114.94 124.96 3dds s ASN 453 Ca -0.11 -0.49 0.05 0.00 -2.14 0.00 0.00 52.86 50.16 3dds s ASN 453 Cb -0.15 -0.08 0.12 0.00 1.28 0.00 0.00 41.25 42.42 3dds s ASN 453 CO 0.01 -0.02 0.87 0.61 -2.04 0.00 0.00 177.10 176.54 3dds n GLY 454 N 1.74 1.30 0.34 0.45 0.00 -1.04 -0.79 105.19 107.19 3dds n GLY 454 Ca -0.19 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.74 3dds n GLY 454 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dds n VAL 455 N -2.52 0.48 -3.52 1.61 0.24 -1.26 -1.84 118.33 111.52 3dds n VAL 455 Ca 0.16 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 3dds n VAL 455 Cb 0.57 0.84 -0.04 0.00 -1.47 0.00 0.00 33.84 33.74 3dds n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dds s ALA 456 N -0.79 -1.81 0.22 2.33 0.00 -1.26 -1.01 121.76 119.44 3dds s ALA 456 Ca 0.11 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 3dds s ALA 456 Cb 0.07 -0.03 0.31 0.00 0.00 0.00 0.00 23.12 23.46 3dds s ALA 456 CO 0.09 -0.46 1.66 0.87 0.00 0.00 0.00 175.76 177.92 3dds h LYS 457 N 2.55 0.11 -0.68 0.00 1.57 -1.90 0.19 116.57 118.40 3dds h LYS 457 Ca -0.24 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3dds h LYS 457 Cb 1.19 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3dds h LYS 457 CO 0.35 0.07 0.40 0.97 -0.57 0.00 0.00 179.45 180.67 3dds h ILE 458 N 0.11 1.20 -0.05 1.86 2.10 -1.90 -1.96 117.51 118.87 3dds h ILE 458 Ca 0.33 -0.47 -0.05 0.00 1.08 0.00 0.00 64.86 65.75 3dds h ILE 458 Cb 0.54 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 3dds h ILE 458 CO -0.54 0.21 -0.17 -0.74 -1.08 0.00 0.00 178.15 175.84 3dds h HIS 459 N 0.93 0.27 -0.75 2.19 2.76 -1.39 -2.73 115.15 116.43 3dds h HIS 459 Ca 0.24 -0.11 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 3dds h HIS 459 Cb -0.00 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 3dds h HIS 459 CO -0.01 0.78 0.50 0.77 -1.30 0.00 0.00 177.93 178.67 3dds h SER 460 N -0.32 0.73 -0.47 3.26 0.02 -0.63 -0.17 113.55 115.97 3dds h SER 460 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3dds h SER 460 Cb 0.79 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3dds h SER 460 CO 0.04 0.48 0.10 -0.78 -1.14 0.00 0.00 176.83 175.52 3dds h ASP 461 N 0.83 0.73 -0.36 3.07 3.58 -1.34 -0.87 116.42 122.06 3dds h ASP 461 Ca 0.32 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3dds h ASP 461 Cb 0.20 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3dds h ASP 461 CO -0.11 0.79 0.17 0.40 -2.88 0.00 0.00 179.24 177.61 3dds h ILE 462 N 0.65 1.17 -0.18 2.25 2.04 -1.03 0.10 117.51 122.51 3dds h ILE 462 Ca 0.15 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3dds h ILE 462 Cb 0.35 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3dds h ILE 462 CO 0.00 0.18 -0.08 0.58 0.00 0.00 0.00 178.15 178.83 3dds h VAL 463 N 0.44 0.73 0.10 1.67 2.07 -0.98 -0.43 116.25 119.86 3dds h VAL 463 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3dds h VAL 463 Cb 0.13 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3dds h VAL 463 CO -0.01 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.03 3dds h LYS 464 N -0.06 -0.13 0.00 1.57 3.64 -1.00 -0.52 116.57 120.06 3dds h LYS 464 Ca 0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3dds h LYS 464 Cb 0.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3dds h LYS 464 CO -0.22 0.35 -1.01 0.25 -2.27 0.00 0.00 179.45 176.55 3dds n THR 465 N -4.89 0.30 0.01 1.00 -2.24 0.34 -2.97 114.28 105.82 3dds n THR 465 Ca -0.08 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.35 3dds n THR 465 Cb 0.28 -0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3dds n THR 465 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dds n LYS 466 N -2.18 0.03 -0.15 -0.78 5.02 -0.39 -4.54 118.16 115.18 3dds n LYS 466 Ca 0.01 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 3dds n LYS 466 Cb 0.47 -0.29 -0.00 0.00 -0.02 0.00 0.00 35.03 35.19 3dds n LYS 466 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dds h VAL 467 N -0.06 1.22 -0.53 -0.18 2.07 -1.20 -3.13 116.25 114.44 3dds h VAL 467 Ca 0.00 -0.70 -0.38 0.00 0.82 0.00 0.00 66.70 66.44 3dds h VAL 467 Cb 0.06 0.85 -0.28 0.00 -1.52 0.00 0.00 31.29 30.40 3dds h VAL 467 CO 0.00 0.25 -0.56 0.49 0.02 0.00 0.00 177.57 177.78 3dds n PHE 468 N -4.57 1.91 -0.22 1.57 3.72 -0.20 -4.82 117.46 114.84 3dds n PHE 468 Ca 0.00 -2.03 0.02 0.00 -0.05 0.00 0.00 57.45 55.40 3dds n PHE 468 Cb 0.17 -0.40 0.13 0.00 -0.94 0.00 0.00 39.48 38.44 3dds n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3dds h LYS 469 N 1.75 0.19 -0.52 -1.08 3.64 -1.47 -0.29 116.57 118.78 3dds h LYS 469 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3dds h LYS 469 Cb 1.37 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 3dds h LYS 469 CO 0.58 0.13 0.34 -0.44 -2.27 0.00 0.00 179.45 177.78 3dds h ASP 470 N 0.20 0.61 0.06 4.20 3.32 -1.87 -1.49 116.42 121.45 3dds h ASP 470 Ca 0.35 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.23 3dds h ASP 470 Cb 0.57 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.98 3dds h ASP 470 CO -0.49 0.45 -0.60 -0.26 -1.72 0.00 0.00 179.24 176.61 3dds h PHE 471 N 0.71 0.49 -0.06 4.55 0.04 -1.55 -3.29 116.94 117.83 3dds h PHE 471 Ca 0.19 -0.31 -0.06 0.00 2.80 0.00 0.00 57.97 60.59 3dds h PHE 471 Cb -0.07 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3dds h PHE 471 CO 0.00 1.18 -0.25 0.66 -0.60 0.00 0.00 178.31 179.30 3dds h SER 472 N -0.34 0.10 -0.72 2.17 4.64 -0.97 -1.49 113.55 116.95 3dds h SER 472 Ca -0.09 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 3dds h SER 472 Cb 1.39 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 3dds h SER 472 CO 0.12 0.35 0.24 -0.33 -0.87 0.00 0.00 176.83 176.34 3dds h GLU 473 N 0.10 1.11 0.00 4.77 5.08 -1.39 -1.56 114.58 122.69 3dds h GLU 473 Ca 0.02 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.00 3dds h GLU 473 Cb 0.49 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3dds h GLU 473 CO 0.03 0.94 -0.74 -0.07 -1.00 0.00 0.00 179.01 178.17 3dds h LEU 474 N 1.07 0.00 -6.32 1.33 3.38 -1.53 -3.38 115.31 109.86 3dds h LEU 474 Ca 0.24 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.62 3dds h LEU 474 Cb 0.28 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.64 3dds h LEU 474 CO -0.01 0.70 -0.94 -0.62 0.09 0.00 0.00 178.44 177.66 3dds n GLU 475 N -3.26 0.76 0.04 1.13 1.02 -0.60 -5.01 120.64 114.71 3dds n GLU 475 Ca 0.01 -3.48 -0.12 0.00 -0.02 0.00 0.00 57.16 53.55 3dds n GLU 475 Cb 0.82 -1.65 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 3dds n GLU 475 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3dds h PRO 476 N 4.95 -0.44 0.00 3.49 0.11 -1.48 -2.77 132.00 135.86 3dds h PRO 476 Ca 0.18 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3dds h PRO 476 Cb 0.86 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3dds h PRO 476 CO 0.48 -0.29 0.00 -0.25 -0.21 0.00 0.00 178.00 177.73 3dds n ASP 477 N -5.42 0.00 -0.17 -2.05 8.00 -1.26 -2.90 116.55 112.75 3dds n ASP 477 Ca -0.04 -0.28 -0.08 0.00 0.71 0.00 0.00 54.79 55.09 3dds n ASP 477 Cb 0.33 -0.17 0.06 0.00 -0.02 0.00 0.00 41.12 41.32 3dds n ASP 477 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3dds h LYS 478 N 0.00 0.98 -5.94 -1.24 3.64 -1.75 -3.45 116.57 108.81 3dds h LYS 478 Ca 0.00 -0.32 -0.57 0.00 -1.27 0.00 0.00 60.65 58.49 3dds h LYS 478 Cb 0.11 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3dds h LYS 478 CO 0.00 0.99 -0.03 -0.06 -2.27 0.00 0.00 179.45 178.09 3dds s PHE 479 N -4.93 3.59 0.27 1.91 0.08 -1.14 -1.51 117.98 116.24 3dds s PHE 479 Ca -0.11 1.10 0.02 0.00 0.12 0.00 0.00 56.93 58.06 3dds s PHE 479 Cb 0.14 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 3dds s PHE 479 CO 0.85 0.20 0.09 -0.65 -0.10 0.00 0.00 175.22 175.61 3dds s GLN 480 N 0.43 1.46 -0.04 0.44 -0.21 0.79 -4.96 119.66 117.58 3dds s GLN 480 Ca 0.31 -1.79 0.03 0.00 0.02 0.00 0.00 55.36 53.93 3dds s GLN 480 Cb -0.17 -0.39 -0.03 0.00 1.00 0.00 0.00 33.01 33.42 3dds s GLN 480 CO 0.15 -0.27 -0.11 1.21 -2.12 0.00 0.00 175.29 174.14 3dds s ASN 481 N -3.35 4.27 -0.32 5.90 2.47 -1.26 -2.51 114.94 120.15 3dds s ASN 481 Ca 0.37 -0.16 -0.02 0.00 0.42 0.00 0.00 52.86 53.48 3dds s ASN 481 Cb 0.08 -0.95 0.11 0.00 -1.45 0.00 0.00 41.25 39.04 3dds s ASN 481 CO 0.14 0.33 0.15 -0.54 -3.72 0.00 0.00 177.10 173.46 3dds s LYS 482 N -0.92 0.45 0.25 0.43 -0.14 -0.77 -4.94 119.74 114.10 3dds s LYS 482 Ca 0.13 -0.93 -0.30 0.00 -1.36 0.00 0.00 55.97 53.51 3dds s LYS 482 Cb -0.11 -1.43 -0.10 0.00 -1.68 0.00 0.00 37.83 34.51 3dds s LYS 482 CO 0.02 -1.07 1.51 0.99 -0.76 0.00 0.00 175.35 176.04 3dds s THR 483 N 1.64 2.47 1.08 2.17 2.01 -1.26 -4.22 115.64 119.53 3dds s THR 483 Ca 0.12 0.39 -0.13 0.00 0.31 0.00 0.00 61.69 62.38 3dds s THR 483 Cb -0.19 -3.25 0.21 0.00 0.01 0.00 0.00 72.50 69.28 3dds s THR 483 CO -0.23 0.06 0.87 0.59 -0.69 0.00 0.00 174.62 175.22 3dds n ASN 484 N 2.55 -1.28 -3.66 3.53 3.02 -0.18 -4.66 115.26 114.57 3dds n ASN 484 Ca 0.08 0.04 -0.10 0.00 -0.03 0.00 0.00 54.58 54.57 3dds n ASN 484 Cb 0.39 -1.28 -0.04 0.00 -0.61 0.00 0.00 39.78 38.24 3dds n ASN 484 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dds s GLY 485 N -2.36 0.76 0.10 7.41 0.00 -1.26 -4.82 107.32 107.14 3dds s GLY 485 Ca 0.66 -1.03 0.06 0.00 0.00 0.00 0.00 44.72 44.41 3dds s GLY 485 CO 0.64 -0.68 -0.15 -0.26 0.00 0.00 0.00 173.10 172.65 3dds s ILE 486 N -3.54 1.26 -0.03 0.90 -4.36 0.22 -4.50 121.20 111.14 3dds s ILE 486 Ca 0.24 -1.51 -0.28 0.00 -0.26 0.00 0.00 60.65 58.83 3dds s ILE 486 Cb -0.01 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.35 3dds s ILE 486 CO 0.12 -0.30 0.91 0.28 0.24 0.00 0.00 174.94 176.20 3dds s THR 487 N -1.65 4.91 -1.69 8.37 -1.32 -1.26 -0.55 115.64 122.44 3dds s THR 487 Ca 0.04 1.91 0.27 0.00 -1.21 0.00 0.00 61.69 62.69 3dds s THR 487 Cb -0.08 -4.25 0.61 0.00 -1.51 0.00 0.00 72.50 67.27 3dds s THR 487 CO 0.03 0.17 1.94 -0.81 -2.21 0.00 0.00 174.62 173.73 3dds n PRO 488 N 3.97 0.59 0.00 7.08 -0.04 -1.26 -1.83 135.00 143.51 3dds n PRO 488 Ca 0.04 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3dds n PRO 488 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3dds n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dds n ARG 489 N -1.16 0.00 -0.33 0.54 3.00 -1.26 -1.90 116.66 115.55 3dds n ARG 489 Ca 0.16 0.33 0.01 0.00 -0.01 0.00 0.00 57.85 58.34 3dds n ARG 489 Cb 0.16 -1.07 0.15 0.00 0.00 0.00 0.00 32.46 31.70 3dds n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3dds h ARG 490 N 0.00 1.03 -0.61 5.56 2.43 -1.97 -0.30 114.38 120.51 3dds h ARG 490 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3dds h ARG 490 Cb 0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3dds h ARG 490 CO 0.00 0.68 0.00 0.91 -1.51 0.00 0.00 179.97 180.05 3dds n TRP 491 N -4.57 0.92 0.14 2.20 7.02 -0.76 -2.30 117.44 120.09 3dds n TRP 491 Ca 0.13 -0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 3dds n TRP 491 Cb 0.16 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 3dds n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3dds n LEU 492 N 1.15 -1.27 -0.28 -0.99 7.94 -1.06 -4.79 117.00 117.70 3dds n LEU 492 Ca 0.20 0.51 -0.03 0.00 -1.11 0.00 0.00 56.01 55.58 3dds n LEU 492 Cb 0.57 1.34 0.08 0.00 0.53 0.00 0.00 43.42 45.94 3dds n LEU 492 CO 0.15 -0.43 1.18 -0.07 -1.11 0.00 0.00 177.39 177.12 3dds h LEU 493 N 0.00 0.84 0.00 -1.96 3.38 -0.78 -0.83 115.31 115.96 3dds h LEU 493 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3dds h LEU 493 Cb 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dds h LEU 493 CO 0.00 0.60 -0.05 0.25 0.09 0.00 0.00 178.44 179.32 3dds h LEU 494 N 0.99 0.00 -0.36 1.67 6.46 -1.20 -3.34 115.31 119.53 3dds h LEU 494 Ca 0.29 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 3dds h LEU 494 Cb -0.05 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3dds h LEU 494 CO -0.09 0.74 -0.11 0.00 -0.62 0.00 0.00 178.44 178.37 3dds n ASN 496 N -3.15 0.70 0.19 0.00 2.85 -0.32 -4.84 115.26 110.69 3dds n ASN 496 Ca 0.03 -2.87 0.06 0.00 -0.11 0.00 0.00 54.58 51.69 3dds n ASN 496 Cb 0.52 -0.63 0.55 0.00 1.24 0.00 0.00 39.78 41.45 3dds n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3dds h PRO 497 N 3.60 0.11 -0.24 1.20 0.13 -1.68 -1.08 132.00 134.04 3dds h PRO 497 Ca 0.09 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3dds h PRO 497 Cb 0.89 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3dds h PRO 497 CO 0.50 0.14 0.13 0.78 -0.23 0.00 0.00 178.00 179.32 3dds h GLY 498 N 0.29 0.35 0.90 1.56 0.00 -1.92 -0.33 103.07 103.92 3dds h GLY 498 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3dds h GLY 498 CO 0.00 0.15 -0.19 -2.00 0.00 0.00 0.00 176.54 174.50 3dds h LEU 499 N 0.28 0.63 -0.90 3.11 5.85 -1.79 -1.77 115.31 120.72 3dds h LEU 499 Ca 0.08 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.49 3dds h LEU 499 Cb 0.05 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 3dds h LEU 499 CO -0.01 0.94 0.52 0.00 -0.34 0.00 0.00 178.44 179.54 3dds h ALA 500 N 0.72 1.34 -0.11 1.25 0.00 -1.13 -0.17 119.26 121.15 3dds h ALA 500 Ca 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3dds h ALA 500 Cb 0.73 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dds h ALA 500 CO 0.05 0.08 -0.07 1.49 0.00 0.00 0.00 179.25 180.80 3dds h GLU 501 N 0.81 0.25 -0.21 0.00 4.81 -0.94 -1.53 114.58 117.76 3dds h GLU 501 Ca 0.46 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3dds h GLU 501 Cb 0.51 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3dds h GLU 501 CO -0.29 0.62 0.00 1.25 -0.73 0.00 0.00 179.01 179.86 3dds h LEU 502 N -0.12 -0.07 -0.49 1.64 5.85 -0.98 -0.41 115.31 120.73 3dds h LEU 502 Ca 0.02 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3dds h LEU 502 Cb 0.55 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3dds h LEU 502 CO 0.02 -0.01 0.29 0.40 -0.34 0.00 0.00 178.44 178.80 3dds h ILE 503 N 0.07 1.05 -0.87 4.05 2.04 -1.02 -2.57 117.51 120.26 3dds h ILE 503 Ca 0.10 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3dds h ILE 503 Cb 0.12 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3dds h ILE 503 CO -0.17 0.10 0.48 0.00 0.00 0.00 0.00 178.15 178.57 3dds h ALA 504 N 1.22 1.11 -0.62 1.87 0.00 -0.91 -0.46 119.26 121.47 3dds h ALA 504 Ca 0.20 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dds h ALA 504 Cb 0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3dds h ALA 504 CO -0.09 0.62 0.41 0.93 0.00 0.00 0.00 179.25 181.12 3dds h GLU 505 N 1.21 0.68 0.05 0.00 5.08 -0.70 -0.65 114.58 120.25 3dds h GLU 505 Ca 0.31 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.30 3dds h GLU 505 Cb 0.02 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3dds h GLU 505 CO -0.05 0.45 -1.90 1.63 -1.00 0.00 0.00 179.01 178.14 3dds n LYS 506 N -4.47 0.69 0.00 2.33 4.76 -0.85 -4.66 118.16 115.96 3dds n LYS 506 Ca 0.08 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 3dds n LYS 506 Cb 0.16 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 3dds n LYS 506 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3dds n ILE 507 N -3.20 0.34 0.00 -0.18 -5.35 -0.24 -5.05 119.36 105.68 3dds n ILE 507 Ca -0.25 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 3dds n ILE 507 Cb 1.06 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.88 3dds n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dds n GLY 508 N -0.17 -0.88 1.04 3.28 0.00 -0.25 -4.73 105.19 103.47 3dds n GLY 508 Ca 0.00 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.44 3dds n GLY 508 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dds n GLU 509 N -0.89 2.49 0.09 1.61 0.28 -1.26 -4.26 120.64 118.70 3dds n GLU 509 Ca 0.00 -2.25 0.11 0.00 -0.16 0.00 0.00 57.16 54.86 3dds n GLU 509 Cb 0.00 -1.45 0.45 0.00 1.43 0.00 0.00 31.44 31.87 3dds n GLU 509 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3dds n ASP 510 N 1.24 0.50 0.27 -1.84 8.00 -1.26 -3.09 116.55 120.37 3dds n ASP 510 Ca 0.18 0.61 0.13 0.00 0.71 0.00 0.00 54.79 56.41 3dds n ASP 510 Cb 0.54 -0.72 0.76 0.00 -0.02 0.00 0.00 41.12 41.68 3dds n ASP 510 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3dds h TYR 511 N 0.00 0.00 -0.70 1.24 -0.00 -1.77 -2.42 116.97 113.32 3dds h TYR 511 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 3dds h TYR 511 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.08 3dds h TYR 511 CO 0.00 0.09 0.35 0.28 -0.00 0.00 0.00 178.16 178.88 3dds h VAL 512 N 0.00 1.23 0.00 -0.90 2.07 -1.90 -2.17 116.25 114.57 3dds h VAL 512 Ca -0.00 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3dds h VAL 512 Cb 0.22 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3dds h VAL 512 CO 0.01 0.26 -1.04 0.11 0.02 0.00 0.00 177.57 176.93 3dds h LYS 513 N 0.97 0.00 -2.82 1.57 1.57 -1.80 -3.42 116.57 112.65 3dds h LYS 513 Ca 0.24 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.43 3dds h LYS 513 Cb 0.09 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.00 3dds h LYS 513 CO -0.03 0.06 -0.78 0.34 -0.57 0.00 0.00 179.45 178.46 3dds s ASP 514 N -5.48 3.37 0.47 0.86 2.15 -0.92 -5.00 116.67 112.12 3dds s ASP 514 Ca -0.01 -2.43 0.32 0.00 0.43 0.00 0.00 52.55 50.86 3dds s ASP 514 Cb 0.09 -0.76 1.42 0.00 -0.30 0.00 0.00 42.92 43.37 3dds s ASP 514 CO 0.79 -0.29 1.94 0.25 -0.17 0.00 0.00 175.17 177.70 3dds h LEU 515 N 6.86 0.00 -1.81 -1.34 5.85 -1.65 -1.92 115.31 121.30 3dds h LEU 515 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3dds h LEU 515 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3dds h LEU 515 CO 0.39 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 179.26 3dds h SER 516 N 0.00 0.00 0.30 1.25 4.64 -1.84 -1.25 113.55 116.65 3dds h SER 516 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dds h SER 516 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3dds h SER 516 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3dds n GLN 517 N -2.68 0.10 0.30 4.77 6.02 -0.72 -2.42 117.38 122.75 3dds n GLN 517 Ca -0.01 0.48 0.19 0.00 -0.01 0.00 0.00 57.00 57.65 3dds n GLN 517 Cb 0.13 -1.75 1.01 0.00 1.02 0.00 0.00 30.24 30.65 3dds n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dds h LEU 518 N 0.00 0.00 -1.87 1.08 3.38 -1.46 -1.78 115.31 114.66 3dds h LEU 518 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dds h LEU 518 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dds h LEU 518 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 3dds h THR 519 N 0.00 0.00 0.00 0.22 1.35 -1.14 -1.42 112.91 111.92 3dds h THR 519 Ca 0.02 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 3dds h THR 519 Cb 0.23 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3dds h THR 519 CO -0.00 0.00 -0.04 0.11 -0.25 0.00 0.00 175.52 175.34 3dds h LYS 520 N 0.00 0.00 0.00 4.72 1.57 -1.57 -2.53 116.57 118.76 3dds h LYS 520 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dds h LYS 520 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3dds h LYS 520 CO 0.00 0.04 0.00 -0.07 -0.57 0.00 0.00 179.45 178.85 3dds h LEU 521 N 0.00 0.00 -1.99 2.94 3.38 -1.46 -2.47 115.31 115.70 3dds h LEU 521 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dds h LEU 521 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3dds h LEU 521 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 178.44 178.98 3dds h HIS 522 N 0.00 0.00 0.00 1.13 3.86 -1.66 -1.50 115.15 116.97 3dds h HIS 522 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dds h HIS 522 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3dds h HIS 522 CO 0.00 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.22 3dds n SER 523 N -2.61 0.61 -1.00 2.45 7.64 -0.93 -2.56 113.62 117.21 3dds n SER 523 Ca -0.02 0.71 0.08 0.00 1.01 0.00 0.00 58.87 60.65 3dds n SER 523 Cb 0.07 -0.81 0.24 0.00 -1.01 0.00 0.00 64.21 62.70 3dds n SER 523 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3dds n PHE 524 N -2.24 0.86 -1.70 1.43 3.72 -0.57 -4.92 117.46 114.05 3dds n PHE 524 Ca 0.01 -0.60 -0.44 0.00 -0.05 0.00 0.00 57.45 56.37 3dds n PHE 524 Cb 0.14 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 3dds n PHE 524 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dds n LEU 525 N 0.61 3.66 0.00 4.37 4.77 -1.06 -1.80 117.00 127.55 3dds n LEU 525 Ca 0.18 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 3dds n LEU 525 Cb 0.65 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 3dds n LEU 525 CO 0.14 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3dds n GLY 526 N 3.31 0.52 3.47 -0.72 0.00 -1.26 -4.98 105.19 105.53 3dds n GLY 526 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3dds n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dds s ASP 527 N -2.35 6.24 0.35 1.61 -1.08 -0.74 -4.92 116.67 115.78 3dds s ASP 527 Ca 0.00 -0.80 0.04 0.00 -0.52 0.00 0.00 52.55 51.27 3dds s ASP 527 Cb 0.00 -2.39 0.69 0.00 -1.46 0.00 0.00 42.92 39.76 3dds s ASP 527 CO 0.00 -1.26 1.97 0.44 0.52 0.00 0.00 175.17 176.84 3dds h ASP 528 N 9.36 0.71 -0.13 -0.34 3.32 -1.94 -1.33 116.42 126.08 3dds h ASP 528 Ca -0.28 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3dds h ASP 528 Cb 1.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3dds h ASP 528 CO 1.11 0.47 0.07 0.58 -1.72 0.00 0.00 179.24 179.75 3dds h VAL 529 N 0.81 1.08 -0.40 -1.35 2.07 -1.97 -1.43 116.25 115.07 3dds h VAL 529 Ca 0.30 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3dds h VAL 529 Cb 0.17 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3dds h VAL 529 CO -0.10 0.08 0.06 0.15 0.02 0.00 0.00 177.57 177.78 3dds h PHE 530 N 0.12 0.71 -0.57 1.57 3.57 -1.77 -1.03 116.94 119.54 3dds h PHE 530 Ca 0.04 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.45 3dds h PHE 530 Cb 0.06 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3dds h PHE 530 CO -0.05 0.70 0.38 -0.07 -2.23 0.00 0.00 178.31 177.05 3dds h LEU 531 N 0.52 0.66 -0.24 0.59 3.38 -1.18 0.81 115.31 119.84 3dds h LEU 531 Ca 0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3dds h LEU 531 Cb 0.38 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dds h LEU 531 CO 0.01 0.48 -0.18 0.03 0.09 0.00 0.00 178.44 178.87 3dds h ARG 532 N 0.78 0.54 -0.94 1.13 3.08 -1.01 -2.34 114.38 115.62 3dds h ARG 532 Ca 0.21 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3dds h ARG 532 Cb -0.09 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 3dds h ARG 532 CO -0.05 0.84 0.62 0.93 -1.07 0.00 0.00 179.97 181.24 3dds h GLU 533 N 0.25 1.21 -0.44 0.04 5.08 -0.53 -0.10 114.58 120.09 3dds h GLU 533 Ca 0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3dds h GLU 533 Cb 0.71 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3dds h GLU 533 CO 0.05 0.80 0.19 1.25 -1.00 0.00 0.00 179.01 180.30 3dds h LEU 534 N 1.24 0.59 -0.98 1.33 5.85 -0.84 -1.84 115.31 120.65 3dds h LEU 534 Ca 0.35 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 3dds h LEU 534 Cb -0.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3dds h LEU 534 CO -0.09 0.57 0.01 0.00 -0.34 0.00 0.00 178.44 178.59 3dds h ALA 535 N 1.04 1.16 -0.56 1.25 0.00 -1.09 -2.65 119.26 118.41 3dds h ALA 535 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3dds h ALA 535 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dds h ALA 535 CO -0.02 0.55 0.21 -0.22 0.00 0.00 0.00 179.25 179.78 3dds h LYS 536 N 0.70 0.84 -0.17 0.00 3.64 -0.71 -0.43 116.57 120.43 3dds h LYS 536 Ca 0.14 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3dds h LYS 536 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3dds h LYS 536 CO 0.02 0.73 0.03 0.28 -2.27 0.00 0.00 179.45 178.24 3dds h VAL 537 N 0.76 0.92 -0.65 2.00 2.07 -1.20 -0.40 116.25 119.75 3dds h VAL 537 Ca 0.18 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.69 3dds h VAL 537 Cb 0.21 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3dds h VAL 537 CO -0.01 0.02 0.41 0.50 0.02 0.00 0.00 177.57 178.50 3dds h LYS 538 N 0.10 0.79 -0.53 1.57 1.63 -1.28 -1.82 116.57 117.03 3dds h LYS 538 Ca 0.08 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3dds h LYS 538 Cb 0.07 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 3dds h LYS 538 CO -0.11 0.52 0.28 0.37 -3.45 0.00 0.00 179.45 177.06 3dds h GLN 539 N 0.81 0.75 -0.77 1.90 5.75 -0.80 0.04 115.11 122.79 3dds h GLN 539 Ca 0.25 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.69 3dds h GLN 539 Cb -0.01 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.34 3dds h GLN 539 CO -0.09 0.60 0.49 0.93 -2.65 0.00 0.00 178.83 178.10 3dds h GLU 540 N 0.71 0.91 -0.59 1.69 5.08 -0.78 -0.09 114.58 121.52 3dds h GLU 540 Ca 0.19 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3dds h GLU 540 Cb 0.07 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3dds h GLU 540 CO -0.03 0.60 0.16 -0.91 -1.00 0.00 0.00 179.01 177.84 3dds h ASN 541 N 0.94 0.88 -0.59 1.42 2.35 -0.89 -2.13 115.58 117.55 3dds h ASN 541 Ca 0.31 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3dds h ASN 541 Cb 0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3dds h ASN 541 CO -0.12 0.87 0.26 0.11 -1.65 0.00 0.00 177.43 176.90 3dds h LYS 542 N 0.84 0.86 -0.41 0.81 1.57 -0.61 -1.36 116.57 118.27 3dds h LYS 542 Ca 0.19 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3dds h LYS 542 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3dds h LYS 542 CO -0.00 0.71 0.17 -0.07 -0.57 0.00 0.00 179.45 179.69 3dds h LEU 543 N 0.80 0.57 -0.29 2.94 3.38 -0.89 0.70 115.31 122.52 3dds h LEU 543 Ca 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dds h LEU 543 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3dds h LEU 543 CO -0.02 0.58 0.15 0.50 0.09 0.00 0.00 178.44 179.74 3dds h LYS 544 N 0.52 0.41 -0.13 1.13 3.64 -1.30 -1.95 116.57 118.88 3dds h LYS 544 Ca 0.14 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 3dds h LYS 544 Cb 0.18 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3dds h LYS 544 CO -0.01 0.36 -0.37 0.35 -2.27 0.00 0.00 179.45 177.51 3dds h PHE 545 N 0.35 0.31 -0.37 1.91 3.57 -1.12 -2.76 116.94 118.83 3dds h PHE 545 Ca 0.10 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 3dds h PHE 545 Cb 0.08 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3dds h PHE 545 CO -0.03 0.61 -0.06 0.77 -2.23 0.00 0.00 178.31 177.37 3dds h SER 546 N 0.23 0.58 -0.07 0.41 0.02 -0.53 -0.67 113.55 113.53 3dds h SER 546 Ca 0.03 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3dds h SER 546 Cb 0.77 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 3dds h SER 546 CO 0.06 0.69 -0.22 1.56 -1.14 0.00 0.00 176.83 177.78 3dds h GLN 547 N 0.57 -0.31 -0.08 3.45 7.50 -1.07 -1.57 115.11 123.60 3dds h GLN 547 Ca 0.11 0.02 0.04 0.00 0.50 0.00 0.00 58.65 59.32 3dds h GLN 547 Cb 0.45 0.07 -0.06 0.00 0.05 0.00 0.00 27.48 27.99 3dds h GLN 547 CO 0.02 -0.20 -0.31 0.35 -1.50 0.00 0.00 178.83 177.19 3dds h PHE 548 N -0.32 -0.85 -0.83 2.96 3.57 -1.31 -2.68 116.94 117.49 3dds h PHE 548 Ca 0.08 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.72 3dds h PHE 548 Cb 0.43 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 3dds h PHE 548 CO -0.30 -0.39 0.46 -0.07 -2.23 0.00 0.00 178.31 175.78 3dds h LEU 549 N -0.42 0.62 -0.44 0.59 3.38 -0.92 -2.02 115.31 116.11 3dds h LEU 549 Ca 0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dds h LEU 549 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3dds h LEU 549 CO -0.31 0.33 0.00 -0.33 0.09 0.00 0.00 178.44 178.22 3dds h GLU 550 N 0.74 0.00 0.00 1.13 5.08 -1.07 -0.09 114.58 120.36 3dds h GLU 550 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3dds h GLU 550 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3dds h GLU 550 CO -0.28 0.00 -0.76 1.79 -1.00 0.00 0.00 179.01 178.76 3dds h THR 551 N 0.00 0.00 0.00 1.13 1.35 -1.05 -3.38 112.91 110.96 3dds h THR 551 Ca 0.00 -0.78 -0.23 0.00 -0.55 0.00 0.00 66.41 64.85 3dds h THR 551 Cb 0.66 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 3dds h THR 551 CO 0.00 0.00 -2.00 -0.62 -0.25 0.00 0.00 175.52 172.65 3dds n GLU 552 N -2.47 1.29 -4.31 4.72 -0.58 -1.04 -5.02 120.64 113.23 3dds n GLU 552 Ca 0.02 -0.04 -0.22 0.00 -0.42 0.00 0.00 57.16 56.50 3dds n GLU 552 Cb 0.50 -1.40 -0.13 0.00 -0.57 0.00 0.00 31.44 29.85 3dds n GLU 552 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3dds s TYR 553 N -2.52 1.58 -1.17 -0.32 2.02 -0.07 -5.06 117.35 111.80 3dds s TYR 553 Ca -0.07 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.04 3dds s TYR 553 Cb 0.06 -0.89 0.12 0.00 -0.40 0.00 0.00 41.96 40.85 3dds s TYR 553 CO 0.64 0.13 1.48 0.21 -1.57 0.00 0.00 175.55 176.45 3dds s LYS 554 N -1.67 3.92 -0.12 -0.62 2.47 -1.26 -4.51 119.74 117.93 3dds s LYS 554 Ca 0.04 -2.08 -0.19 0.00 -1.56 0.00 0.00 55.97 52.18 3dds s LYS 554 Cb -0.10 -5.23 0.05 0.00 -1.46 0.00 0.00 37.83 31.09 3dds s LYS 554 CO 0.03 -1.98 0.47 0.54 0.16 0.00 0.00 175.35 174.58 3dds s VAL 555 N 3.02 0.01 -0.38 4.02 0.11 -1.26 -5.09 120.40 120.84 3dds s VAL 555 Ca 0.45 -0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.27 3dds s VAL 555 Cb -0.01 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3dds s VAL 555 CO -0.00 -0.06 0.22 -0.75 -3.33 0.00 0.00 175.10 171.18 3dds s LYS 556 N -0.32 2.89 -0.07 1.54 2.47 -1.26 -4.68 119.74 120.31 3dds s LYS 556 Ca -0.05 -1.04 -0.29 0.00 -1.56 0.00 0.00 55.97 53.03 3dds s LYS 556 Cb -0.03 -3.77 -0.02 0.00 -1.46 0.00 0.00 37.83 32.55 3dds s LYS 556 CO 0.03 -0.69 0.98 0.42 0.16 0.00 0.00 175.35 176.25 3dds s ILE 557 N 1.58 4.83 -0.36 5.43 -1.09 -1.26 -4.99 121.20 125.35 3dds s ILE 557 Ca 0.03 2.01 -0.29 0.00 -2.23 0.00 0.00 60.65 60.17 3dds s ILE 557 Cb -0.19 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.40 3dds s ILE 557 CO 0.07 0.07 1.37 0.21 -1.23 0.00 0.00 174.94 175.43 3dds s ASN 558 N 1.06 6.49 0.50 3.58 3.84 -1.26 -4.91 114.94 124.23 3dds s ASN 558 Ca 0.49 1.01 0.33 0.00 0.21 0.00 0.00 52.86 54.90 3dds s ASN 558 Cb -0.19 -2.54 1.51 0.00 -0.55 0.00 0.00 41.25 39.48 3dds s ASN 558 CO 0.21 -1.27 1.99 1.55 -2.79 0.00 0.00 177.10 176.79 3dds h PRO 559 N 10.07 0.00 -0.13 0.43 0.13 -1.97 -2.00 132.00 138.54 3dds h PRO 559 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3dds h PRO 559 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dds h PRO 559 CO 1.06 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.70 3dds n SER 560 N -2.84 1.85 -4.82 1.44 3.41 -1.26 -4.95 113.62 106.45 3dds n SER 560 Ca -0.00 -1.69 -0.33 0.00 -0.26 0.00 0.00 58.87 56.59 3dds n SER 560 Cb 0.21 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3dds n SER 560 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dds s SER 561 N -1.72 6.76 0.00 4.04 1.04 -0.75 -4.85 113.70 118.22 3dds s SER 561 Ca 0.34 1.73 -0.30 0.00 0.48 0.00 0.00 55.95 58.20 3dds s SER 561 Cb 0.19 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 3dds s SER 561 CO 0.29 -0.49 1.38 -0.32 0.98 0.00 0.00 173.24 175.08 3dds s MET 562 N -3.30 4.29 -0.57 4.02 -2.45 -0.26 -4.73 119.30 116.30 3dds s MET 562 Ca 0.63 1.94 -0.26 0.00 -1.25 0.00 0.00 55.69 56.75 3dds s MET 562 Cb -0.11 -3.55 0.04 0.00 1.25 0.00 0.00 34.83 32.46 3dds s MET 562 CO 0.17 -0.55 1.04 -0.06 1.05 0.00 0.00 175.02 176.66 3dds s PHE 563 N 2.31 2.71 -0.35 4.11 0.40 -1.26 -0.64 117.98 125.26 3dds s PHE 563 Ca 0.63 0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.97 3dds s PHE 563 Cb -0.31 -4.24 0.01 0.00 0.51 0.00 0.00 43.02 38.98 3dds s PHE 563 CO 0.26 -1.46 0.20 0.34 0.70 0.00 0.00 175.22 175.26 3dds s ASP 564 N 2.92 5.75 -0.08 1.36 -1.08 -0.09 -1.19 116.67 124.26 3dds s ASP 564 Ca 0.35 -0.70 0.02 0.00 -0.52 0.00 0.00 52.55 51.69 3dds s ASP 564 Cb -0.11 -2.05 0.02 0.00 -1.46 0.00 0.00 42.92 39.32 3dds s ASP 564 CO 0.21 -0.29 -0.11 -0.69 0.52 0.00 0.00 175.17 174.81 3dds s VAL 565 N 1.62 1.14 -0.30 1.11 1.01 -0.04 -0.31 120.40 124.62 3dds s VAL 565 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3dds s VAL 565 Cb -0.18 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.23 3dds s VAL 565 CO 0.07 0.36 0.04 -1.58 0.00 0.00 0.00 175.10 174.00 3dds s GLN 566 N 0.90 1.25 -0.11 2.72 0.74 0.13 -1.62 119.66 123.67 3dds s GLN 566 Ca -0.10 -1.38 0.02 0.00 0.05 0.00 0.00 55.36 53.95 3dds s GLN 566 Cb -0.15 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.34 3dds s GLN 566 CO 0.01 -0.87 -0.17 0.14 -0.55 0.00 0.00 175.29 173.85 3dds s VAL 567 N 1.27 1.59 0.00 1.34 -7.23 -1.26 -1.22 120.40 114.89 3dds s VAL 567 Ca 0.06 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 3dds s VAL 567 Cb -0.18 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.32 3dds s VAL 567 CO -0.14 0.46 0.00 2.29 -0.31 0.00 0.00 175.10 177.40 3dds n LYS 568 N 4.08 0.00 -1.78 4.82 2.85 -0.87 -4.98 118.16 122.28 3dds n LYS 568 Ca -0.20 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.67 3dds n LYS 568 Cb 0.51 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.91 3dds n LYS 568 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3dds s ARG 569 N -2.00 3.68 -0.09 -1.58 1.81 -1.26 -3.94 118.95 115.56 3dds s ARG 569 Ca 0.00 2.44 -0.30 0.00 -1.72 0.00 0.00 55.73 56.16 3dds s ARG 569 Cb 0.00 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 3dds s ARG 569 CO 0.00 -0.83 1.35 0.42 -0.68 0.00 0.00 175.30 175.56 3dds s ILE 570 N -1.19 4.02 -0.05 1.52 -1.09 -0.68 -4.91 121.20 118.81 3dds s ILE 570 Ca 0.61 1.30 -0.13 0.00 -2.23 0.00 0.00 60.65 60.20 3dds s ILE 570 Cb -0.44 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 36.62 3dds s ILE 570 CO 0.57 -0.07 0.30 -1.00 -1.23 0.00 0.00 174.94 173.51 3dds s HIS 571 N 3.12 -0.22 0.20 3.97 3.76 -1.26 -4.72 115.29 120.13 3dds s HIS 571 Ca 0.60 0.45 -0.09 0.00 -0.15 0.00 0.00 55.06 55.87 3dds s HIS 571 Cb -0.26 0.09 0.13 0.00 1.11 0.00 0.00 32.58 33.65 3dds s HIS 571 CO 0.21 -0.30 1.77 0.93 -0.85 0.00 0.00 174.74 176.50 3dds h GLU 572 N 4.57 1.08 0.00 1.40 5.08 -1.96 -2.84 114.58 121.91 3dds h GLU 572 Ca -0.28 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 3dds h GLU 572 Cb 1.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3dds h GLU 572 CO 0.37 0.87 -0.44 0.10 -1.00 0.00 0.00 179.01 178.91 3dds h TYR 573 N 1.04 0.00 0.00 4.33 -0.00 -1.97 -2.47 116.97 117.90 3dds h TYR 573 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.97 3dds h TYR 573 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.92 3dds h TYR 573 CO 0.01 0.44 0.00 0.87 -0.00 0.00 0.00 178.16 179.49 3dds h LYS 574 N 0.00 0.00 -5.26 0.10 1.57 -1.90 -3.02 116.57 108.06 3dds h LYS 574 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 3dds h LYS 574 Cb 0.83 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.27 3dds h LYS 574 CO 0.06 0.00 -0.63 0.54 -0.57 0.00 0.00 179.45 178.85 3dds n ARG 575 N -2.59 -6.59 -0.06 3.15 1.74 -0.93 -4.00 116.66 107.39 3dds n ARG 575 Ca 0.05 0.74 0.24 0.00 -0.77 0.00 0.00 57.85 58.11 3dds n ARG 575 Cb 0.46 -5.49 0.72 0.00 -1.02 0.00 0.00 32.46 27.13 3dds n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3dds h GLN 576 N -2.11 0.00 -0.70 5.56 7.50 -1.86 -1.78 115.11 121.71 3dds h GLN 576 Ca -0.51 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.59 3dds h GLN 576 Cb 1.32 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.82 3dds h GLN 576 CO 0.47 0.00 0.24 1.25 -1.50 0.00 0.00 178.83 179.29 3dds h LEU 577 N 0.00 1.00 -0.58 1.46 5.85 -1.90 -0.78 115.31 120.37 3dds h LEU 577 Ca 0.31 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3dds h LEU 577 Cb 1.33 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3dds h LEU 577 CO -0.00 0.93 0.36 0.25 -0.34 0.00 0.00 178.44 179.64 3dds h LEU 578 N 1.02 0.60 -0.45 2.25 5.85 -1.71 -1.00 115.31 121.89 3dds h LEU 578 Ca 0.23 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3dds h LEU 578 Cb 0.27 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3dds h LEU 578 CO -0.01 0.43 0.20 -1.13 -0.34 0.00 0.00 178.44 177.59 3dds h ASN 579 N 0.72 0.28 -1.01 1.25 -0.73 -1.35 -2.39 115.58 112.35 3dds h ASN 579 Ca 0.23 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.44 3dds h ASN 579 Cb -0.01 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.51 3dds h ASN 579 CO -0.08 0.20 0.67 0.00 -0.37 0.00 0.00 177.43 177.84 3dds h LEU 581 N 1.36 0.85 -0.56 0.00 3.38 -0.78 -1.83 115.31 117.73 3dds h LEU 581 Ca 0.37 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 3dds h LEU 581 Cb -0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3dds h LEU 581 CO -0.08 0.64 -0.49 -0.74 0.09 0.00 0.00 178.44 177.86 3dds h HIS 582 N 0.99 0.72 -0.34 1.13 2.76 -0.78 -1.64 115.15 117.99 3dds h HIS 582 Ca 0.26 -0.23 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3dds h HIS 582 Cb -0.07 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 3dds h HIS 582 CO 0.00 0.96 0.22 0.28 -1.30 0.00 0.00 177.93 178.09 3dds h VAL 583 N 0.46 1.08 -0.65 5.26 2.07 -0.74 -0.91 116.25 122.82 3dds h VAL 583 Ca 0.02 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 3dds h VAL 583 Cb 1.02 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3dds h VAL 583 CO 0.09 0.08 0.12 0.40 0.02 0.00 0.00 177.57 178.29 3dds h ILE 584 N 0.45 1.26 -0.43 4.57 2.04 -1.26 -1.57 117.51 122.57 3dds h ILE 584 Ca 0.13 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.02 3dds h ILE 584 Cb -0.04 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3dds h ILE 584 CO -0.04 0.37 0.24 0.74 0.00 0.00 0.00 178.15 179.46 3dds h THR 585 N 1.00 1.01 -0.41 -0.27 2.02 -1.00 0.32 112.91 115.59 3dds h THR 585 Ca 0.20 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3dds h THR 585 Cb 0.40 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3dds h THR 585 CO 0.01 0.09 0.25 0.24 0.37 0.00 0.00 175.52 176.48 3dds h MET 586 N 0.47 0.55 -0.29 6.66 2.86 -0.91 -1.77 114.93 122.50 3dds h MET 586 Ca 0.18 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 3dds h MET 586 Cb 0.05 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 3dds h MET 586 CO -0.10 0.40 -0.08 -0.92 1.06 0.00 0.00 176.91 177.27 3dds h TYR 587 N 0.54 -0.17 -0.32 -0.22 3.20 -0.80 -1.73 116.97 117.48 3dds h TYR 587 Ca 0.15 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3dds h TYR 587 Cb -0.01 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3dds h TYR 587 CO -0.04 -0.13 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.42 3dds h ASN 588 N -0.01 0.46 -0.38 -2.11 2.35 -0.74 -1.74 115.58 113.42 3dds h ASN 588 Ca 0.14 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3dds h ASN 588 Cb 0.22 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3dds h ASN 588 CO -0.31 0.54 -0.08 0.03 -1.65 0.00 0.00 177.43 175.96 3dds h ARG 589 N 0.47 0.82 -0.20 0.81 3.08 -0.87 -1.22 114.38 117.27 3dds h ARG 589 Ca 0.10 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3dds h ARG 589 Cb 0.34 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3dds h ARG 589 CO 0.01 0.88 -0.08 0.82 -1.07 0.00 0.00 179.97 180.53 3dds h ILE 590 N 0.75 1.30 -0.08 2.04 2.04 -0.86 -1.83 117.51 120.88 3dds h ILE 590 Ca 0.13 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 3dds h ILE 590 Cb 0.57 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3dds h ILE 590 CO 0.04 0.33 -0.27 0.11 0.00 0.00 0.00 178.15 178.36 3dds h LYS 591 N 0.10 0.13 -0.19 2.37 1.79 -1.26 -1.90 116.57 117.62 3dds h LYS 591 Ca 0.05 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 3dds h LYS 591 Cb 0.55 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3dds h LYS 591 CO 0.03 0.40 -0.51 -0.22 -1.08 0.00 0.00 179.45 178.06 3dds h LYS 592 N 0.12 0.69 -2.33 3.15 3.64 -1.16 -3.40 116.57 117.28 3dds h LYS 592 Ca 0.02 -0.48 -0.59 0.00 -1.27 0.00 0.00 60.65 58.33 3dds h LYS 592 Cb 0.55 0.08 -0.39 0.00 -0.41 0.00 0.00 32.23 32.05 3dds h LYS 592 CO 0.04 1.10 -0.91 -0.25 -2.27 0.00 0.00 179.45 177.17 3dds n ASP 593 N -4.14 0.85 -0.28 4.20 8.00 -0.69 -5.00 116.55 119.49 3dds n ASP 593 Ca -0.06 -2.75 0.22 0.00 0.71 0.00 0.00 54.79 52.91 3dds n ASP 593 Cb 0.60 -0.63 0.54 0.00 -0.02 0.00 0.00 41.12 41.61 3dds n ASP 593 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3dds h PRO 594 N 4.86 0.34 0.00 -0.24 0.11 -1.57 -1.84 132.00 133.67 3dds h PRO 594 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3dds h PRO 594 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3dds h PRO 594 CO 0.52 0.23 -0.68 1.63 -0.21 0.00 0.00 178.00 179.48 3dds n LYS 595 N -4.52 0.29 -1.97 1.05 4.01 -1.26 -4.92 118.16 110.83 3dds n LYS 595 Ca 0.22 0.07 -0.37 0.00 -0.51 0.00 0.00 58.31 57.72 3dds n LYS 595 Cb 0.83 -1.67 0.03 0.00 -0.51 0.00 0.00 35.03 33.70 3dds n LYS 595 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3dds s LYS 596 N -3.17 3.21 0.18 1.97 2.20 -0.69 -4.93 119.74 118.50 3dds s LYS 596 Ca 0.06 1.99 -0.32 0.00 -0.36 0.00 0.00 55.97 57.34 3dds s LYS 596 Cb 0.13 -2.17 -0.12 0.00 -1.51 0.00 0.00 37.83 34.17 3dds s LYS 596 CO 0.73 -1.06 1.76 -0.11 -0.36 0.00 0.00 175.35 176.32 3dds n LEU 597 N -1.12 4.00 -3.90 5.43 7.94 -1.26 -5.00 117.00 123.09 3dds n LEU 597 Ca 0.11 1.03 -0.22 0.00 -1.11 0.00 0.00 56.01 55.83 3dds n LEU 597 Cb 0.47 -1.56 -0.17 0.00 0.53 0.00 0.00 43.42 42.70 3dds n LEU 597 CO 0.49 0.17 -0.42 0.12 -1.11 0.00 0.00 177.39 176.64 3dds s PHE 598 N 1.73 0.91 -0.36 1.96 5.36 -1.26 -5.11 117.98 121.21 3dds s PHE 598 Ca 0.78 -0.30 -0.29 0.00 -0.96 0.00 0.00 56.93 56.16 3dds s PHE 598 Cb -0.50 -0.80 0.01 0.00 -0.34 0.00 0.00 43.02 41.40 3dds s PHE 598 CO 0.34 -0.25 1.19 0.08 -1.46 0.00 0.00 175.22 175.11 3dds s VAL 599 N 1.11 4.27 0.40 3.12 1.01 -1.26 -4.98 120.40 124.07 3dds s VAL 599 Ca -0.08 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.06 3dds s VAL 599 Cb -0.14 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 3dds s VAL 599 CO -0.01 -0.63 1.27 -2.16 0.00 0.00 0.00 175.10 173.57 3dds s PRO 600 N 4.11 3.99 0.05 2.72 0.04 -1.26 -4.92 135.00 139.72 3dds s PRO 600 Ca 0.51 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.65 3dds s PRO 600 Cb -0.12 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 3dds s PRO 600 CO 0.23 -0.45 -0.11 1.03 0.04 0.00 0.00 177.00 177.74 3dds s ARG 601 N -2.25 0.69 -0.30 4.56 0.52 -0.75 -1.10 118.95 120.32 3dds s ARG 601 Ca 0.57 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.94 3dds s ARG 601 Cb -0.36 -0.60 0.02 0.00 0.52 0.00 0.00 34.95 34.53 3dds s ARG 601 CO 0.46 0.13 0.06 0.99 0.02 0.00 0.00 175.30 176.96 3dds s THR 602 N -1.16 3.65 -0.32 0.02 2.01 0.18 -2.56 115.64 117.47 3dds s THR 602 Ca -0.04 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 3dds s THR 602 Cb -0.09 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 3dds s THR 602 CO 0.01 0.01 0.37 -0.69 -0.69 0.00 0.00 174.62 173.63 3dds s VAL 603 N 1.42 5.16 -0.18 3.82 1.01 -0.02 -0.91 120.40 130.71 3dds s VAL 603 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 3dds s VAL 603 Cb -0.18 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3dds s VAL 603 CO 0.01 -0.01 -0.10 -0.63 0.00 0.00 0.00 175.10 174.37 3dds s ILE 604 N 2.05 3.07 -0.07 2.22 1.01 0.57 -0.81 121.20 129.24 3dds s ILE 604 Ca 0.13 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3dds s ILE 604 Cb -0.16 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.97 3dds s ILE 604 CO 0.11 0.48 -0.18 -0.63 0.00 0.00 0.00 174.94 174.73 3dds s ILE 605 N 0.98 1.53 -0.02 2.92 1.01 -0.54 -0.69 121.20 126.38 3dds s ILE 605 Ca -0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 3dds s ILE 605 Cb -0.15 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.01 3dds s ILE 605 CO -0.01 0.44 0.32 -0.83 0.00 0.00 0.00 174.94 174.87 3dds s GLY 606 N 0.37 -0.17 0.00 6.18 0.00 -0.36 -0.60 107.32 112.75 3dds s GLY 606 Ca -0.13 0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.97 3dds s GLY 606 CO 0.05 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.92 3dds n GLY 607 N 1.29 3.61 3.84 0.20 0.00 -1.25 -2.04 105.19 110.83 3dds n GLY 607 Ca -0.21 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 3dds n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dds s LYS 608 N -2.34 3.98 -0.08 1.61 1.02 -1.26 -4.62 119.74 118.05 3dds s LYS 608 Ca 0.00 0.48 -0.12 0.00 0.02 0.00 0.00 55.97 56.34 3dds s LYS 608 Cb 0.00 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 3dds s LYS 608 CO 0.00 0.60 0.30 0.00 -0.92 0.00 0.00 175.35 175.33 3dds s ALA 609 N -1.25 3.72 0.28 5.17 0.00 -1.26 -1.69 121.76 126.73 3dds s ALA 609 Ca 0.30 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 3dds s ALA 609 Cb -0.16 -2.27 -0.13 0.00 0.00 0.00 0.00 23.12 20.56 3dds s ALA 609 CO 0.17 0.41 1.43 0.00 0.00 0.00 0.00 175.76 177.77 3dds n ALA 610 N 2.37 1.55 -0.01 0.00 0.00 -1.26 -4.85 120.51 118.32 3dds n ALA 610 Ca -0.15 0.39 0.18 0.00 0.00 0.00 0.00 53.44 53.85 3dds n ALA 610 Cb 0.53 -2.32 0.64 0.00 0.00 0.00 0.00 19.45 18.30 3dds n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dds h PRO 611 N 3.91 0.09 -0.20 0.00 0.11 -1.98 -1.36 132.00 132.57 3dds h PRO 611 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dds h PRO 611 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dds h PRO 611 CO 0.73 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 3dds n GLY 612 N -1.61 0.49 3.41 -0.55 0.00 -1.26 -4.80 105.19 100.88 3dds n GLY 612 Ca 0.09 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 3dds n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dds s TYR 613 N -1.74 3.28 0.13 1.61 5.04 -0.52 -4.92 117.35 120.24 3dds s TYR 613 Ca 0.33 -1.50 -0.20 0.00 -2.44 0.00 0.00 57.07 53.25 3dds s TYR 613 Cb 0.18 -4.13 -0.02 0.00 0.35 0.00 0.00 41.96 38.34 3dds s TYR 613 CO 0.26 -1.33 1.70 1.25 -1.34 0.00 0.00 175.55 176.09 3dds h HIS 614 N 8.58 -0.11 -0.50 4.97 -0.00 -1.87 -2.21 115.15 124.02 3dds h HIS 614 Ca 0.09 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.42 3dds h HIS 614 Cb 1.04 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.51 3dds h HIS 614 CO 1.10 -0.09 0.05 1.98 -0.00 0.00 0.00 177.93 180.97 3dds h MET 615 N 0.00 0.79 -0.62 5.26 1.85 -1.98 -0.56 114.93 119.67 3dds h MET 615 Ca 0.10 -0.19 -0.04 0.00 -0.61 0.00 0.00 59.70 58.96 3dds h MET 615 Cb 0.16 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 3dds h MET 615 CO -0.22 0.77 0.23 0.00 -0.40 0.00 0.00 176.91 177.29 3dds h ALA 616 N 1.30 0.81 -0.50 0.39 0.00 -1.82 -0.80 119.26 118.65 3dds h ALA 616 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3dds h ALA 616 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dds h ALA 616 CO 0.01 0.45 0.10 0.87 0.00 0.00 0.00 179.25 180.67 3dds h LYS 617 N 0.88 0.76 -0.60 0.00 1.57 -0.78 -1.42 116.57 116.98 3dds h LYS 617 Ca 0.21 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3dds h LYS 617 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3dds h LYS 617 CO -0.01 0.71 0.00 0.52 -0.57 0.00 0.00 179.45 180.10 3dds h MET 618 N 0.74 1.05 -0.59 3.15 2.86 -0.75 -2.47 114.93 118.91 3dds h MET 618 Ca 0.16 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 3dds h MET 618 Cb 0.31 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3dds h MET 618 CO 0.00 1.02 0.19 0.82 1.06 0.00 0.00 176.91 180.00 3dds h ILE 619 N 0.96 1.24 -0.31 -1.22 2.04 -0.74 -0.25 117.51 119.22 3dds h ILE 619 Ca 0.17 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.26 3dds h ILE 619 Cb 0.55 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3dds h ILE 619 CO 0.03 0.31 0.09 0.40 0.00 0.00 0.00 178.15 178.97 3dds h ILE 620 N 0.83 0.89 -0.63 -0.67 2.04 -1.20 -1.27 117.51 117.50 3dds h ILE 620 Ca 0.19 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 3dds h ILE 620 Cb 0.28 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3dds h ILE 620 CO -0.01 0.04 0.28 0.50 0.00 0.00 0.00 178.15 178.97 3dds h LYS 621 N 0.21 0.90 -0.22 2.37 1.63 -1.04 -1.22 116.57 119.21 3dds h LYS 621 Ca 0.14 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3dds h LYS 621 Cb 0.13 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3dds h LYS 621 CO -0.16 0.71 0.14 1.25 -3.45 0.00 0.00 179.45 177.94 3dds h LEU 622 N 0.90 0.26 -0.27 5.20 5.85 -0.71 -1.26 115.31 125.28 3dds h LEU 622 Ca 0.22 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3dds h LEU 622 Cb 0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3dds h LEU 622 CO -0.03 0.22 0.16 0.40 -0.34 0.00 0.00 178.44 178.86 3dds h ILE 623 N 0.28 1.10 -0.20 4.05 2.04 -0.47 0.22 117.51 124.53 3dds h ILE 623 Ca 0.08 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3dds h ILE 623 Cb 0.00 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3dds h ILE 623 CO -0.02 0.09 -0.25 0.71 0.00 0.00 0.00 178.15 178.68 3dds h THR 624 N 0.34 1.26 -0.37 -0.27 1.35 -1.22 0.06 112.91 114.05 3dds h THR 624 Ca 0.10 -1.21 -0.08 0.00 -0.55 0.00 0.00 66.41 64.67 3dds h THR 624 Cb 0.01 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 3dds h THR 624 CO -0.02 0.38 -0.07 0.28 -0.25 0.00 0.00 175.52 175.84 3dds h SER 625 N 0.33 0.71 -0.42 5.36 0.02 -0.83 -1.75 113.55 116.97 3dds h SER 625 Ca 0.05 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 3dds h SER 625 Cb 0.63 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3dds h SER 625 CO 0.04 0.89 0.16 0.58 -1.14 0.00 0.00 176.83 177.36 3dds h VAL 626 N 0.51 1.21 -0.86 2.27 2.07 -0.72 -2.98 116.25 117.74 3dds h VAL 626 Ca 0.10 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.04 3dds h VAL 626 Cb 0.57 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 3dds h VAL 626 CO 0.03 0.24 0.52 0.00 0.02 0.00 0.00 177.57 178.38 3dds h ALA 627 N 1.00 1.22 -0.77 1.67 0.00 -0.87 -0.61 119.26 120.89 3dds h ALA 627 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dds h ALA 627 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3dds h ALA 627 CO -0.01 0.21 0.33 -0.44 0.00 0.00 0.00 179.25 179.34 3dds h ASP 628 N 0.91 1.05 0.04 0.00 3.32 -1.19 -0.01 116.42 120.54 3dds h ASP 628 Ca 0.40 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3dds h ASP 628 Cb 0.27 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3dds h ASP 628 CO -0.21 0.92 -0.02 0.58 -1.72 0.00 0.00 179.24 178.79 3dds h VAL 629 N 1.11 1.28 -0.08 -1.35 2.07 -1.31 -3.14 116.25 114.84 3dds h VAL 629 Ca 0.26 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3dds h VAL 629 Cb 0.18 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3dds h VAL 629 CO -0.03 0.27 0.04 0.58 0.02 0.00 0.00 177.57 178.45 3dds h VAL 630 N -0.52 1.10 0.00 2.57 2.07 -1.02 -2.58 116.25 117.87 3dds h VAL 630 Ca -0.00 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3dds h VAL 630 Cb 0.48 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3dds h VAL 630 CO 0.01 0.08 -0.19 0.78 0.02 0.00 0.00 177.57 178.27 3dds h ASN 631 N 0.02 0.00 -0.03 0.57 2.35 -1.12 -3.15 115.58 114.22 3dds h ASN 631 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3dds h ASN 631 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3dds h ASN 631 CO -0.00 0.19 0.00 0.59 -1.65 0.00 0.00 177.43 176.56 3dds n ASN 632 N -4.10 2.59 -4.64 5.81 3.02 -1.17 -4.86 115.26 111.93 3dds n ASN 632 Ca -0.02 -1.79 -0.43 0.00 -0.03 0.00 0.00 54.58 52.31 3dds n ASN 632 Cb 0.27 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3dds n ASN 632 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dds s ASP 633 N -1.58 6.90 0.55 6.41 -1.08 -0.98 -4.92 116.67 121.96 3dds s ASP 633 Ca 0.22 1.01 0.33 0.00 -0.52 0.00 0.00 52.55 53.59 3dds s ASP 633 Cb 0.16 -2.53 1.40 0.00 -1.46 0.00 0.00 42.92 40.49 3dds s ASP 633 CO 0.24 -0.84 2.00 1.55 0.52 0.00 0.00 175.17 178.63 3dds h PRO 634 N 8.08 0.00 0.00 4.34 0.13 -1.90 -1.68 132.00 140.97 3dds h PRO 634 Ca -0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 3dds h PRO 634 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3dds h PRO 634 CO 1.01 0.04 -0.10 0.52 -0.23 0.00 0.00 178.00 179.24 3dds h MET 635 N 0.00 0.00 0.00 0.86 2.86 -1.97 -3.29 114.93 113.40 3dds h MET 635 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3dds h MET 635 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3dds h MET 635 CO 0.00 0.10 -0.45 0.28 1.06 0.00 0.00 176.91 177.90 3dds h VAL 636 N 0.00 0.51 0.00 -2.22 2.07 -1.64 -3.47 116.25 111.50 3dds h VAL 636 Ca -0.00 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3dds h VAL 636 Cb 0.67 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3dds h VAL 636 CO 0.01 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.39 3dds n GLY 637 N 1.62 3.15 0.00 2.17 0.00 -0.99 -2.37 105.19 108.76 3dds n GLY 637 Ca -0.11 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3dds n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dds n SER 638 N 2.83 0.00 -0.21 1.61 3.41 -1.26 -3.37 113.62 116.63 3dds n SER 638 Ca 0.00 -0.63 -0.05 0.00 -0.26 0.00 0.00 58.87 57.93 3dds n SER 638 Cb 0.00 -0.08 0.11 0.00 -0.26 0.00 0.00 64.21 63.98 3dds n SER 638 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3dds h LYS 639 N 0.00 1.03 -2.54 4.33 1.57 -1.83 -3.44 116.57 115.69 3dds h LYS 639 Ca 0.00 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 3dds h LYS 639 Cb 0.07 -0.15 -0.26 0.00 0.08 0.00 0.00 32.23 31.96 3dds h LYS 639 CO 0.00 0.90 -0.31 -1.17 -0.57 0.00 0.00 179.45 178.31 3dds s LEU 640 N -9.49 -0.39 0.04 2.94 2.96 -1.22 -1.81 118.68 111.72 3dds s LEU 640 Ca -0.11 0.98 0.05 0.00 -0.22 0.00 0.00 54.13 54.83 3dds s LEU 640 Cb 0.15 1.43 -0.02 0.00 0.50 0.00 0.00 46.19 48.25 3dds s LEU 640 CO 0.83 -0.21 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.97 3dds s LYS 641 N 1.95 0.88 -0.06 1.98 -0.14 -1.06 -4.62 119.74 118.66 3dds s LYS 641 Ca -0.06 -0.78 0.04 0.00 -1.36 0.00 0.00 55.97 53.80 3dds s LYS 641 Cb -0.10 -0.87 0.00 0.00 -1.68 0.00 0.00 37.83 35.18 3dds s LYS 641 CO -0.13 0.21 -0.17 0.08 -0.76 0.00 0.00 175.35 174.57 3dds s VAL 642 N -0.94 1.50 -0.10 3.17 1.01 -1.26 -0.84 120.40 122.93 3dds s VAL 642 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3dds s VAL 642 Cb -0.08 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3dds s VAL 642 CO 0.01 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 174.80 3dds s ILE 643 N 0.32 1.28 -0.49 2.22 -1.09 0.01 -4.86 121.20 118.59 3dds s ILE 643 Ca -0.11 -0.50 -0.25 0.00 -2.23 0.00 0.00 60.65 57.56 3dds s ILE 643 Cb -0.15 -1.21 0.03 0.00 -1.58 0.00 0.00 42.46 39.56 3dds s ILE 643 CO 0.04 0.40 0.92 0.12 -1.23 0.00 0.00 174.94 175.19 3dds s PHE 644 N 1.15 2.89 -0.43 3.97 5.36 -1.26 -1.47 117.98 128.19 3dds s PHE 644 Ca -0.04 0.25 -0.29 0.00 -0.96 0.00 0.00 56.93 55.89 3dds s PHE 644 Cb -0.14 -3.97 0.03 0.00 -0.34 0.00 0.00 43.02 38.59 3dds s PHE 644 CO -0.03 -1.16 1.10 -1.17 -1.46 0.00 0.00 175.22 172.49 3dds s LEU 645 N 3.77 3.75 0.39 6.12 2.96 0.23 -4.98 118.68 130.92 3dds s LEU 645 Ca 0.34 0.59 -0.21 0.00 -0.22 0.00 0.00 54.13 54.63 3dds s LEU 645 Cb -0.11 -3.51 -0.10 0.00 0.50 0.00 0.00 46.19 42.97 3dds s LEU 645 CO 0.24 -1.13 0.92 -1.61 -1.32 0.00 0.00 176.35 173.45 3dds s GLU 646 N 4.16 4.28 -1.36 1.98 2.02 -1.26 -3.89 118.70 124.64 3dds s GLU 646 Ca 0.46 1.11 -0.07 0.00 0.02 0.00 0.00 54.97 56.48 3dds s GLU 646 Cb -0.09 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.80 3dds s GLU 646 CO 0.27 0.07 1.08 -1.71 0.02 0.00 0.00 175.26 174.99 3dds n ASN 647 N -0.30 -4.83 -4.71 -0.19 5.15 -1.24 -4.91 115.26 104.23 3dds n ASN 647 Ca 0.05 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 52.98 3dds n ASN 647 Cb 0.53 -4.76 -0.03 0.00 -0.53 0.00 0.00 39.78 34.99 3dds n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dds n TYR 648 N -4.72 2.65 -3.85 1.20 9.36 -1.26 -4.87 117.16 115.66 3dds n TYR 648 Ca -0.07 0.11 -0.05 0.00 3.32 0.00 0.00 57.90 61.21 3dds n TYR 648 Cb 0.58 -2.64 0.02 0.00 -0.63 0.00 0.00 39.34 36.67 3dds n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3dds s ARG 649 N 0.97 1.53 0.11 2.98 1.70 -1.26 -4.71 118.95 120.28 3dds s ARG 649 Ca 0.75 -0.98 -0.23 0.00 -0.47 0.00 0.00 55.73 54.81 3dds s ARG 649 Cb -0.54 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.20 3dds s ARG 649 CO 0.35 -0.72 1.69 0.28 -1.08 0.00 0.00 175.30 175.82 3dds h VAL 650 N 2.00 0.73 -0.38 4.99 2.07 -1.94 0.55 116.25 124.27 3dds h VAL 650 Ca -0.28 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3dds h VAL 650 Cb 1.23 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3dds h VAL 650 CO 0.36 0.00 0.12 0.77 0.02 0.00 0.00 177.57 178.84 3dds h SER 651 N -0.15 0.49 0.33 0.57 4.64 -1.96 -1.73 113.55 115.74 3dds h SER 651 Ca 0.05 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3dds h SER 651 Cb 0.22 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3dds h SER 651 CO -0.13 0.48 -0.84 0.25 -0.87 0.00 0.00 176.83 175.72 3dds h LEU 652 N 0.54 0.48 -0.88 5.97 5.85 -1.77 -3.04 115.31 122.45 3dds h LEU 652 Ca 0.13 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.59 3dds h LEU 652 Cb 0.16 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3dds h LEU 652 CO -0.01 1.12 0.53 0.00 -0.34 0.00 0.00 178.44 179.75 3dds h ALA 653 N 0.85 1.26 0.00 1.25 0.00 -0.26 -0.76 119.26 121.60 3dds h ALA 653 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3dds h ALA 653 Cb 1.45 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dds h ALA 653 CO 0.14 0.19 -0.08 0.93 0.00 0.00 0.00 179.25 180.43 3dds h GLU 654 N 0.91 0.00 0.00 0.00 5.08 -1.22 -1.34 114.58 118.01 3dds h GLU 654 Ca 0.41 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 3dds h GLU 654 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3dds h GLU 654 CO -0.23 0.08 -0.32 0.87 -1.00 0.00 0.00 179.01 178.42 3dds h LYS 655 N 0.00 0.00 0.00 2.33 1.57 -1.25 -3.40 116.57 115.83 3dds h LYS 655 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3dds h LYS 655 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3dds h LYS 655 CO 0.01 0.86 -0.90 -0.24 -0.57 0.00 0.00 179.45 178.61 3dds h VAL 656 N -1.00 1.46 -0.00 0.50 3.04 -1.09 -3.33 116.25 115.83 3dds h VAL 656 Ca -0.08 -2.57 -0.00 0.00 -1.01 0.00 0.00 66.70 63.04 3dds h VAL 656 Cb 0.95 2.45 -0.00 0.00 -2.01 0.00 0.00 31.29 32.69 3dds h VAL 656 CO -0.05 0.75 0.00 0.40 -1.01 0.00 0.00 177.57 177.66 3dds h ILE 657 N 0.15 1.10 0.00 3.17 2.04 -1.47 -1.86 117.51 120.63 3dds h ILE 657 Ca -0.06 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3dds h ILE 657 Cb 1.53 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3dds h ILE 657 CO 0.14 0.07 0.00 -0.65 0.00 0.00 0.00 178.15 177.72 3dds h PRO 658 N -0.11 0.00 -0.11 2.37 0.11 -1.77 -2.26 132.00 130.22 3dds h PRO 658 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3dds h PRO 658 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3dds h PRO 658 CO -0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 3dds n ALA 659 N -2.07 2.54 -2.64 -0.75 0.00 -0.71 -4.72 120.51 112.16 3dds n ALA 659 Ca -0.03 -0.48 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 3dds n ALA 659 Cb 0.08 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 3dds n ALA 659 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dds s THR 660 N -1.87 5.20 -0.22 0.00 2.01 -0.85 -4.61 115.64 115.30 3dds s THR 660 Ca 0.34 0.65 -0.12 0.00 0.31 0.00 0.00 61.69 62.87 3dds s THR 660 Cb 0.19 -3.63 -0.18 0.00 0.01 0.00 0.00 72.50 68.88 3dds s THR 660 CO 0.29 0.53 0.01 0.47 -0.69 0.00 0.00 174.62 175.23 3dds n ASP 661 N 2.32 1.97 -4.17 3.53 8.00 -0.55 -3.98 116.55 123.68 3dds n ASP 661 Ca -0.14 0.25 -0.33 0.00 0.71 0.00 0.00 54.79 55.28 3dds n ASP 661 Cb 0.53 -0.80 -0.16 0.00 -0.02 0.00 0.00 41.12 40.66 3dds n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dds s LEU 662 N -7.34 2.22 -0.26 0.64 2.96 -0.34 -0.55 118.68 116.00 3dds s LEU 662 Ca -0.31 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 3dds s LEU 662 Cb 0.09 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 3dds s LEU 662 CO 0.61 0.04 0.28 -0.55 -1.32 0.00 0.00 176.35 175.40 3dds s SER 663 N 1.09 6.16 -0.38 3.68 0.15 0.90 -0.86 113.70 124.44 3dds s SER 663 Ca -0.00 0.17 -0.20 0.00 0.70 0.00 0.00 55.95 56.62 3dds s SER 663 Cb -0.14 -2.17 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 3dds s SER 663 CO -0.07 -0.09 0.60 -1.61 1.20 0.00 0.00 173.24 173.27 3dds s GLU 664 N 1.77 3.54 -0.52 5.44 0.41 -0.64 -1.37 118.70 127.33 3dds s GLU 664 Ca 0.11 -0.14 0.05 0.00 -0.41 0.00 0.00 54.97 54.59 3dds s GLU 664 Cb -0.15 -3.85 0.19 0.00 -1.78 0.00 0.00 34.13 28.53 3dds s GLU 664 CO 0.09 -0.79 0.45 1.04 -0.49 0.00 0.00 175.26 175.57 3dds n GLN 665 N 6.01 0.98 -0.79 1.61 1.13 -0.37 -4.76 117.38 121.19 3dds n GLN 665 Ca -0.02 -3.71 0.02 0.00 -1.94 0.00 0.00 57.00 51.34 3dds n GLN 665 Cb 0.48 -1.84 0.18 0.00 0.11 0.00 0.00 30.24 29.18 3dds n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3dds n ILE 666 N 2.17 2.23 -1.76 5.09 -5.35 -1.26 -2.56 119.36 117.92 3dds n ILE 666 Ca 0.26 -3.36 -0.36 0.00 -0.27 0.00 0.00 62.75 59.02 3dds n ILE 666 Cb 0.44 -0.34 0.06 0.00 -1.74 0.00 0.00 39.64 38.06 3dds n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3dds s SER 667 N -3.28 4.70 0.22 7.28 1.04 -1.26 -4.66 113.70 117.74 3dds s SER 667 Ca 0.40 2.48 -0.31 0.00 0.48 0.00 0.00 55.95 59.00 3dds s SER 667 Cb 0.38 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.78 3dds s SER 667 CO -0.06 -1.93 1.56 -0.89 0.98 0.00 0.00 173.24 172.91 3dds s THR 668 N -1.60 2.44 -0.04 2.02 2.01 -1.14 -4.66 115.64 114.66 3dds s THR 668 Ca 0.79 0.34 -0.38 0.00 0.31 0.00 0.00 61.69 62.75 3dds s THR 668 Cb -0.33 -3.21 -0.16 0.00 0.01 0.00 0.00 72.50 68.80 3dds s THR 668 CO 0.39 0.04 1.51 0.00 -0.69 0.00 0.00 174.62 175.87 3dds n ALA 669 N 3.18 -0.52 -0.13 7.40 0.00 -1.26 -1.63 120.51 127.55 3dds n ALA 669 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3dds n ALA 669 Cb 0.38 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3dds n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dds n GLY 670 N 3.22 0.57 0.07 0.00 0.00 -1.26 -4.71 105.19 103.08 3dds n GLY 670 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 3dds n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dds n THR 671 N -2.00 0.96 -3.21 2.61 -2.24 -0.65 -4.87 114.28 104.89 3dds n THR 671 Ca 0.00 -0.52 -0.44 0.00 -2.27 0.00 0.00 64.05 60.82 3dds n THR 671 Cb 0.00 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.37 3dds n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dds s GLU 672 N -2.34 3.09 0.22 -0.78 2.56 -1.26 -4.81 118.70 115.38 3dds s GLU 672 Ca -0.12 -1.01 -0.09 0.00 0.00 0.00 0.00 54.97 53.75 3dds s GLU 672 Cb 0.05 -4.11 0.33 0.00 2.00 0.00 0.00 34.13 32.40 3dds s GLU 672 CO 0.51 -1.18 1.70 0.00 -0.56 0.00 0.00 175.26 175.73 3dds h ALA 673 N 8.94 0.75 0.00 6.30 0.00 -1.89 -2.87 119.26 130.49 3dds h ALA 673 Ca -0.28 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dds h ALA 673 Cb 1.10 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dds h ALA 673 CO 0.95 -0.32 -0.00 0.45 0.00 0.00 0.00 179.25 180.33 3dds n SER 674 N -5.15 -0.14 0.00 0.00 2.88 -1.26 -4.06 113.62 105.89 3dds n SER 674 Ca 0.10 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 3dds n SER 674 Cb 0.35 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 3dds n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dds n GLY 675 N 1.57 -2.07 0.00 0.46 0.00 -1.26 -0.71 105.19 103.18 3dds n GLY 675 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3dds n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dds n THR 676 N -0.85 0.00 -0.25 2.61 -2.24 -1.26 -4.75 114.28 107.55 3dds n THR 676 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3dds n THR 676 Cb 0.00 -0.21 0.16 0.00 -2.10 0.00 0.00 70.33 68.19 3dds n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dds h GLY 677 N 0.00 1.08 -0.21 3.38 0.00 -1.96 -1.53 103.07 103.83 3dds h GLY 677 Ca 0.00 -0.15 0.20 0.00 0.00 0.00 0.00 47.33 47.38 3dds h GLY 677 CO 0.00 -0.06 0.28 3.45 0.00 0.00 0.00 176.54 180.21 3dds h ASN 678 N 0.46 0.14 -0.37 0.19 7.08 -1.95 -0.83 115.58 120.32 3dds h ASN 678 Ca 0.39 0.16 -0.14 0.00 -3.08 0.00 0.00 56.30 53.62 3dds h ASN 678 Cb 0.54 0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 36.96 3dds h ASN 678 CO -0.37 -0.05 -0.31 0.24 -2.08 0.00 0.00 177.43 174.87 3dds h MET 679 N 0.31 0.90 -0.07 4.14 2.86 -1.61 -2.21 114.93 119.25 3dds h MET 679 Ca 0.51 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3dds h MET 679 Cb 0.95 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 3dds h MET 679 CO -0.55 1.07 0.04 0.87 1.06 0.00 0.00 176.91 179.40 3dds h LYS 680 N 0.75 0.08 -0.82 1.72 1.57 -0.58 -1.33 116.57 117.96 3dds h LYS 680 Ca 0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3dds h LYS 680 Cb 0.88 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 3dds h LYS 680 CO 0.08 0.06 0.49 0.74 -0.57 0.00 0.00 179.45 180.24 3dds h PHE 681 N 0.09 1.08 -0.53 -1.35 0.04 -1.15 -2.59 116.94 112.53 3dds h PHE 681 Ca 0.03 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3dds h PHE 681 Cb -0.00 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.77 3dds h PHE 681 CO -0.08 0.73 0.25 1.98 -0.60 0.00 0.00 178.31 180.59 3dds h MET 682 N 1.12 0.77 0.00 1.51 4.05 -1.11 -2.48 114.93 118.78 3dds h MET 682 Ca 0.29 -0.12 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 3dds h MET 682 Cb -0.04 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 3dds h MET 682 CO -0.05 0.64 -0.18 1.25 0.23 0.00 0.00 176.91 178.79 3dds h LEU 683 N 0.71 0.00 -3.00 3.39 5.85 -1.02 -3.23 115.31 118.02 3dds h LEU 683 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3dds h LEU 683 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3dds h LEU 683 CO -0.02 0.18 0.00 0.59 -0.34 0.00 0.00 178.44 178.85 3dds n ASN 684 N -3.75 4.10 0.00 1.25 3.02 -0.97 -4.91 115.26 114.00 3dds n ASN 684 Ca -0.02 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 3dds n ASN 684 Cb 0.29 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 3dds n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dds n GLY 685 N 1.00 0.98 3.83 7.41 0.00 -1.14 -4.77 105.19 112.49 3dds n GLY 685 Ca 0.22 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3dds n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dds s ALA 686 N -2.00 3.73 0.34 4.61 0.00 -0.98 -4.80 121.76 122.67 3dds s ALA 686 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 3dds s ALA 686 Cb 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 3dds s ALA 686 CO 0.00 0.77 0.65 -0.51 0.00 0.00 0.00 175.76 176.67 3dds s LEU 687 N -2.35 3.95 -0.19 0.00 1.43 0.29 -4.44 118.68 117.37 3dds s LEU 687 Ca 0.31 0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 3dds s LEU 687 Cb -0.12 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 3dds s LEU 687 CO 0.23 -0.29 -0.05 -0.89 0.23 0.00 0.00 176.35 175.58 3dds s THR 688 N -2.23 3.50 -0.26 5.49 2.01 -1.26 -0.07 115.64 122.82 3dds s THR 688 Ca 0.47 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3dds s THR 688 Cb -0.10 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 3dds s THR 688 CO 0.31 0.45 0.15 -0.51 -0.69 0.00 0.00 174.62 174.33 3dds s ILE 689 N 1.03 5.07 0.12 1.82 2.07 -0.47 -0.18 121.20 130.66 3dds s ILE 689 Ca 0.01 0.09 -0.26 0.00 -1.41 0.00 0.00 60.65 59.07 3dds s ILE 689 Cb -0.15 -3.39 0.07 0.00 0.13 0.00 0.00 42.46 39.13 3dds s ILE 689 CO 0.00 0.30 0.97 -0.83 -1.91 0.00 0.00 174.94 173.47 3dds s GLY 690 N 1.50 -0.28 0.59 1.50 0.00 -0.41 -1.24 107.32 108.99 3dds s GLY 690 Ca 0.07 0.29 -0.05 0.00 0.00 0.00 0.00 44.72 45.03 3dds s GLY 690 CO 0.07 0.06 0.89 -0.51 0.00 0.00 0.00 173.10 173.61 3dds s THR 691 N -3.21 3.37 -1.31 0.90 -4.23 -1.06 -1.85 115.64 108.25 3dds s THR 691 Ca 0.11 -0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 60.30 3dds s THR 691 Cb -0.01 -3.34 0.06 0.00 1.34 0.00 0.00 72.50 70.55 3dds s THR 691 CO 0.00 -0.33 1.79 0.23 -0.54 0.00 0.00 174.62 175.77 3dds n MET 692 N -2.58 3.10 -3.97 3.99 2.81 -1.26 -4.66 117.12 114.55 3dds n MET 692 Ca 0.05 -3.19 -0.09 0.00 -1.81 0.00 0.00 57.70 52.66 3dds n MET 692 Cb 0.58 -3.49 -0.11 0.00 -0.71 0.00 0.00 33.22 29.49 3dds n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3dds s ASP 693 N 4.23 0.22 0.53 7.83 2.15 -1.26 -4.60 116.67 125.77 3dds s ASP 693 Ca 0.54 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.05 3dds s ASP 693 Cb 0.05 0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.77 3dds s ASP 693 CO 0.07 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 3dds n GLY 694 N 1.66 1.97 0.00 2.66 0.00 -1.08 -1.31 105.19 109.09 3dds n GLY 694 Ca -0.23 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.51 3dds n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dds n ALA 695 N 6.62 2.03 -0.31 4.61 0.00 0.11 -3.01 120.51 130.56 3dds n ALA 695 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.43 3dds n ALA 695 Cb 0.00 -1.31 0.29 0.00 0.00 0.00 0.00 19.45 18.42 3dds n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3dds h ASN 696 N 0.00 0.83 -0.64 0.00 4.21 -1.38 -0.14 115.58 118.46 3dds h ASN 696 Ca 0.00 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.55 3dds h ASN 696 Cb 0.18 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 3dds h ASN 696 CO 0.00 0.46 0.42 0.58 -1.29 0.00 0.00 177.43 177.60 3dds h VAL 697 N 0.90 1.16 -0.02 2.81 2.07 -1.59 -1.68 116.25 119.90 3dds h VAL 697 Ca 0.45 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.51 3dds h VAL 697 Cb 0.48 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3dds h VAL 697 CO -0.21 0.16 -0.73 -0.33 0.02 0.00 0.00 177.57 176.48 3dds h GLU 698 N 0.86 0.12 -0.76 1.57 5.08 -1.55 -1.40 114.58 118.50 3dds h GLU 698 Ca 0.23 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3dds h GLU 698 Cb -0.10 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3dds h GLU 698 CO -0.05 0.79 0.47 0.52 -1.00 0.00 0.00 179.01 179.74 3dds h MET 699 N 0.08 1.03 -0.68 2.33 2.86 -0.79 -0.27 114.93 119.47 3dds h MET 699 Ca -0.02 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 3dds h MET 699 Cb 1.29 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3dds h MET 699 CO 0.10 0.72 0.20 0.00 1.06 0.00 0.00 176.91 178.99 3dds h ALA 700 N 1.25 0.90 -0.42 6.32 0.00 -1.08 -1.31 119.26 124.91 3dds h ALA 700 Ca 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dds h ALA 700 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3dds h ALA 700 CO -0.05 0.58 0.21 0.93 0.00 0.00 0.00 179.25 180.92 3dds h GLU 701 N 1.01 0.41 -0.14 0.00 5.08 -0.77 0.86 114.58 121.03 3dds h GLU 701 Ca 0.22 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3dds h GLU 701 Cb 0.31 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3dds h GLU 701 CO -0.01 0.27 -0.39 0.93 -1.00 0.00 0.00 179.01 178.81 3dds h GLU 702 N 0.42 0.51 0.00 2.33 4.39 -0.83 -3.32 114.58 118.09 3dds h GLU 702 Ca 0.18 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3dds h GLU 702 Cb 0.09 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3dds h GLU 702 CO -0.13 0.98 -0.90 0.00 -1.16 0.00 0.00 179.01 177.80 3dds n ALA 703 N -2.52 2.88 -0.04 3.43 0.00 -0.51 -4.85 120.51 118.90 3dds n ALA 703 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3dds n ALA 703 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3dds n ALA 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dds n GLY 704 N 1.28 0.30 0.36 0.00 0.00 0.25 -4.63 105.19 102.76 3dds n GLY 704 Ca 0.02 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 44.96 3dds n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dds h GLU 705 N 0.00 0.23 0.00 1.61 4.81 -1.78 0.70 114.58 120.15 3dds h GLU 705 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3dds h GLU 705 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3dds h GLU 705 CO 0.00 0.15 0.00 -0.85 -0.73 0.00 0.00 179.01 177.58 3dds n GLU 706 N -4.45 0.02 -0.22 1.92 0.00 -1.26 -2.36 120.64 114.28 3dds n GLU 706 Ca 0.09 0.24 0.12 0.00 0.00 0.00 0.00 57.16 57.61 3dds n GLU 706 Cb 0.44 -1.53 0.24 0.00 0.00 0.00 0.00 31.44 30.58 3dds n GLU 706 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dds n ASN 707 N -1.56 3.59 -4.45 -1.84 3.02 0.24 -4.87 115.26 109.39 3dds n ASN 707 Ca 0.04 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.33 3dds n ASN 707 Cb 0.19 -0.29 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 3dds n ASN 707 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dds s LEU 708 N -1.41 2.51 -1.17 3.41 1.02 -1.00 -4.78 118.68 117.27 3dds s LEU 708 Ca 0.41 -0.95 -0.11 0.00 0.02 0.00 0.00 54.13 53.50 3dds s LEU 708 Cb 0.24 -1.13 0.22 0.00 0.02 0.00 0.00 46.19 45.54 3dds s LEU 708 CO 0.32 0.08 1.38 0.49 0.02 0.00 0.00 176.35 178.64 3dds n PHE 709 N -0.18 4.58 -3.07 0.29 3.72 0.75 -4.97 117.46 118.57 3dds n PHE 709 Ca -0.09 -3.41 -0.39 0.00 -0.05 0.00 0.00 57.45 53.51 3dds n PHE 709 Cb 0.58 -1.90 -0.06 0.00 -0.94 0.00 0.00 39.48 37.17 3dds n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3dds s ILE 710 N -0.03 4.66 0.22 4.37 -1.09 -1.26 -1.28 121.20 126.79 3dds s ILE 710 Ca 0.37 1.51 -0.10 0.00 -2.23 0.00 0.00 60.65 60.20 3dds s ILE 710 Cb -0.03 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 3dds s ILE 710 CO -0.02 0.45 0.37 0.72 -1.23 0.00 0.00 174.94 175.24 3dds s PHE 711 N -0.57 0.51 0.00 3.97 -0.71 -0.77 -4.95 117.98 115.45 3dds s PHE 711 Ca 0.35 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 3dds s PHE 711 Cb -0.21 0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 3dds s PHE 711 CO 0.22 -0.87 0.00 0.41 -1.34 0.00 0.00 175.22 173.64 3dds n GLY 712 N -0.33 -2.69 3.77 1.99 0.00 -1.26 -4.26 105.19 102.41 3dds n GLY 712 Ca -0.02 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3dds n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dds s MET 713 N -0.78 4.12 0.54 1.61 -1.94 -1.26 -4.92 119.30 116.67 3dds s MET 713 Ca 0.00 2.56 0.07 0.00 -1.71 0.00 0.00 55.69 56.61 3dds s MET 713 Cb 0.00 -2.99 0.06 0.00 2.01 0.00 0.00 34.83 33.92 3dds s MET 713 CO 0.00 -0.54 0.74 1.03 -0.01 0.00 0.00 175.02 176.24 3dds s ARG 714 N -1.68 2.42 0.31 2.03 0.52 -1.26 -4.42 118.95 116.88 3dds s ARG 714 Ca 0.55 -1.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3dds s ARG 714 Cb -0.47 -2.64 0.55 0.00 0.52 0.00 0.00 34.95 32.91 3dds s ARG 714 CO 0.59 -0.72 1.93 0.97 0.02 0.00 0.00 175.30 178.09 3dds h ILE 715 N 0.24 1.10 -0.08 1.52 2.10 -1.84 0.32 117.51 120.86 3dds h ILE 715 Ca -0.35 -0.34 -0.11 0.00 1.08 0.00 0.00 64.86 65.15 3dds h ILE 715 Cb 1.28 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.01 3dds h ILE 715 CO 0.43 0.18 -0.43 0.44 -1.08 0.00 0.00 178.15 177.69 3dds h ASP 716 N 1.00 0.19 -0.36 2.19 3.32 -1.95 -1.95 116.42 118.86 3dds h ASP 716 Ca 0.35 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 3dds h ASP 716 Cb 0.13 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3dds h ASP 716 CO -0.12 0.60 -0.29 0.44 -1.72 0.00 0.00 179.24 178.15 3dds h ASP 717 N 0.15 0.93 -0.64 6.45 3.32 -1.35 -1.16 116.42 124.12 3dds h ASP 717 Ca 0.01 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 3dds h ASP 717 Cb 0.83 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3dds h ASP 717 CO 0.06 1.15 0.29 0.58 -1.72 0.00 0.00 179.24 179.61 3dds h VAL 718 N 0.75 1.22 -0.59 -1.35 2.07 -1.12 -1.79 116.25 115.45 3dds h VAL 718 Ca 0.08 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3dds h VAL 718 Cb 0.86 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3dds h VAL 718 CO 0.08 0.26 0.28 0.00 0.02 0.00 0.00 177.57 178.22 3dds h ALA 719 N 1.13 0.76 -0.56 1.67 0.00 -1.14 -0.76 119.26 120.35 3dds h ALA 719 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dds h ALA 719 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3dds h ALA 719 CO -0.02 0.32 0.34 0.00 0.00 0.00 0.00 179.25 179.89 3dds h ALA 720 N 1.12 0.71 -0.41 0.00 0.00 -1.10 -0.95 119.26 118.63 3dds h ALA 720 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3dds h ALA 720 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dds h ALA 720 CO -0.03 0.18 -0.08 1.25 0.00 0.00 0.00 179.25 180.58 3dds h LEU 721 N 0.75 0.69 -0.68 0.00 5.85 -1.01 -0.31 115.31 120.60 3dds h LEU 721 Ca 0.20 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3dds h LEU 721 Cb -0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3dds h LEU 721 CO -0.04 0.81 0.30 0.44 -0.34 0.00 0.00 178.44 179.61 3dds h ASP 722 N 0.66 0.92 0.12 1.25 3.32 -0.86 0.20 116.42 122.02 3dds h ASP 722 Ca 0.12 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3dds h ASP 722 Cb 0.52 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3dds h ASP 722 CO 0.03 0.82 -0.06 0.50 -1.72 0.00 0.00 179.24 178.81 3dds h LYS 723 N 0.96 -0.15 -0.64 3.56 3.64 -0.65 -3.12 116.57 120.15 3dds h LYS 723 Ca 0.23 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3dds h LYS 723 Cb 0.17 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3dds h LYS 723 CO -0.02 0.11 0.23 0.87 -2.27 0.00 0.00 179.45 178.37 3dds h LYS 724 N -0.41 0.96 0.00 1.90 1.57 -1.05 -3.49 116.57 116.05 3dds h LYS 724 Ca -0.02 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3dds h LYS 724 Cb 0.33 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3dds h LYS 724 CO 0.03 0.80 0.00 0.41 -0.57 0.00 0.00 179.45 180.12 3dds n GLY 725 N -0.94 2.46 3.61 3.86 0.00 0.71 -5.05 105.19 109.83 3dds n GLY 725 Ca 0.05 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3dds n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dds s TYR 726 N 0.00 3.23 -0.55 1.61 5.04 -1.22 -4.89 117.35 120.57 3dds s TYR 726 Ca 0.00 0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 55.31 3dds s TYR 726 Cb 0.00 -3.00 0.14 0.00 0.35 0.00 0.00 41.96 39.45 3dds s TYR 726 CO 0.00 -0.46 0.33 -1.21 -1.34 0.00 0.00 175.55 172.87 3dds s GLU 727 N 2.65 2.24 0.28 4.97 0.41 -1.26 -4.97 118.70 123.02 3dds s GLU 727 Ca 0.27 -2.44 0.00 0.00 -0.41 0.00 0.00 54.97 52.39 3dds s GLU 727 Cb -0.15 -3.55 0.51 0.00 -1.78 0.00 0.00 34.13 29.17 3dds s GLU 727 CO 0.11 -1.13 1.87 0.00 -0.49 0.00 0.00 175.26 175.62 3dds h ALA 728 N 7.00 1.49 -0.55 5.21 0.00 -1.86 -2.63 119.26 127.93 3dds h ALA 728 Ca -0.05 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.00 3dds h ALA 728 Cb 0.95 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3dds h ALA 728 CO 0.69 0.32 0.39 1.57 0.00 0.00 0.00 179.25 182.21 3dds h LYS 729 N 1.06 0.11 -0.80 0.00 2.10 -1.90 -2.07 116.57 115.06 3dds h LYS 729 Ca 0.45 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 59.05 3dds h LYS 729 Cb 0.33 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.60 3dds h LYS 729 CO -0.21 0.07 0.32 0.93 -2.00 0.00 0.00 179.45 178.56 3dds h GLU 730 N 0.11 1.19 -0.37 0.07 5.08 -1.90 0.07 114.58 118.83 3dds h GLU 730 Ca 0.26 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3dds h GLU 730 Cb 0.89 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3dds h GLU 730 CO -0.03 0.97 -0.11 1.88 -1.00 0.00 0.00 179.01 180.72 3dds h TYR 731 N 1.16 0.82 -0.33 4.33 0.05 -1.54 -1.13 116.97 120.34 3dds h TYR 731 Ca 0.27 -0.18 0.05 0.00 0.05 0.00 0.00 58.73 58.91 3dds h TYR 731 Cb 0.22 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 3dds h TYR 731 CO 0.02 0.89 0.05 -0.92 -1.05 0.00 0.00 178.16 177.15 3dds h TYR 732 N 0.52 0.08 -0.04 4.88 3.20 -1.27 -0.98 116.97 123.36 3dds h TYR 732 Ca 0.09 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 3dds h TYR 732 Cb 0.63 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3dds h TYR 732 CO 0.05 0.00 -0.45 0.93 -1.64 0.00 0.00 178.16 177.05 3dds h GLU 733 N 0.16 0.10 0.00 1.82 4.39 -0.92 -3.27 114.58 116.86 3dds h GLU 733 Ca 0.16 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 3dds h GLU 733 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3dds h GLU 733 CO -0.22 0.54 -0.63 0.00 -1.16 0.00 0.00 179.01 177.54 3dds h ALA 734 N 1.46 0.72 -3.55 3.43 0.00 -0.72 -3.43 119.26 117.17 3dds h ALA 734 Ca 0.00 -0.33 -0.67 0.00 0.00 0.00 0.00 54.91 53.92 3dds h ALA 734 Cb 0.83 0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.26 3dds h ALA 734 CO 0.06 0.41 -0.67 -0.51 0.00 0.00 0.00 179.25 178.54 3dds s LEU 735 N -6.08 4.83 0.31 0.00 1.43 -0.41 -5.00 118.68 113.75 3dds s LEU 735 Ca 0.03 -2.22 0.06 0.00 -1.03 0.00 0.00 54.13 50.97 3dds s LEU 735 Cb 0.07 -1.67 0.75 0.00 0.03 0.00 0.00 46.19 45.37 3dds s LEU 735 CO 0.75 -0.40 1.78 -0.65 0.23 0.00 0.00 176.35 178.06 3dds h PRO 736 N 7.58 0.74 -0.53 1.29 0.11 -1.85 -1.05 132.00 138.30 3dds h PRO 736 Ca -0.06 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.89 3dds h PRO 736 Cb 1.01 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3dds h PRO 736 CO 0.57 0.49 -0.11 0.93 -0.21 0.00 0.00 178.00 179.67 3dds h GLU 737 N 0.76 1.01 -0.26 1.05 5.08 -1.94 -2.26 114.58 118.01 3dds h GLU 737 Ca 0.57 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dds h GLU 737 Cb 0.90 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3dds h GLU 737 CO -0.37 1.06 0.13 1.25 -1.00 0.00 0.00 179.01 180.08 3dds h LEU 738 N 0.88 0.34 -0.64 1.33 5.85 -1.70 -2.79 115.31 118.58 3dds h LEU 738 Ca 0.14 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.85 3dds h LEU 738 Cb 0.67 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 3dds h LEU 738 CO 0.05 0.36 0.22 0.50 -0.34 0.00 0.00 178.44 179.23 3dds h LYS 739 N 0.29 0.38 -0.10 1.25 3.64 -0.97 -0.68 116.57 120.38 3dds h LYS 739 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3dds h LYS 739 Cb 0.10 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3dds h LYS 739 CO -0.01 0.25 0.06 1.25 -2.27 0.00 0.00 179.45 178.72 3dds h LEU 740 N 0.39 0.12 -0.16 5.20 5.85 -1.34 -0.57 115.31 124.79 3dds h LEU 740 Ca 0.33 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3dds h LEU 740 Cb 0.45 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3dds h LEU 740 CO -0.35 0.14 -0.12 0.58 -0.34 0.00 0.00 178.44 178.36 3dds h VAL 741 N 0.08 0.66 -0.57 1.05 2.07 -1.11 -0.83 116.25 117.61 3dds h VAL 741 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 3dds h VAL 741 Cb 0.05 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3dds h VAL 741 CO -0.01 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.04 3dds h ILE 742 N -0.12 1.26 -0.60 4.57 1.08 -1.05 -2.06 117.51 120.60 3dds h ILE 742 Ca 0.10 -1.03 -0.05 0.00 -0.39 0.00 0.00 64.86 63.49 3dds h ILE 742 Cb 0.27 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3dds h ILE 742 CO -0.24 0.37 0.18 0.44 -0.69 0.00 0.00 178.15 178.22 3dds h ASP 743 N 0.86 0.87 -0.34 1.72 3.32 -0.88 0.67 116.42 122.64 3dds h ASP 743 Ca 0.17 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.05 3dds h ASP 743 Cb 0.46 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3dds h ASP 743 CO 0.02 0.85 0.10 1.56 -1.72 0.00 0.00 179.24 180.04 3dds h GLN 744 N 0.85 0.22 -0.19 3.56 4.20 -0.94 0.26 115.11 123.07 3dds h GLN 744 Ca 0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3dds h GLN 744 Cb 0.29 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3dds h GLN 744 CO -0.01 0.15 0.08 0.82 -0.67 0.00 0.00 178.83 179.20 3dds h ILE 745 N 0.23 1.16 -0.27 2.54 2.04 -1.16 -0.22 117.51 121.83 3dds h ILE 745 Ca 0.16 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 3dds h ILE 745 Cb 0.15 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3dds h ILE 745 CO -0.18 0.15 -0.31 -0.78 0.00 0.00 0.00 178.15 177.03 3dds h ASP 746 N 0.15 0.58 0.29 1.72 3.58 -0.59 -3.26 116.42 118.88 3dds h ASP 746 Ca 0.06 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.29 3dds h ASP 746 Cb 0.17 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3dds h ASP 746 CO -0.01 0.85 -0.49 0.59 -2.88 0.00 0.00 179.24 177.31 3dds n ASN 747 N -4.08 0.91 0.00 2.28 3.02 0.90 -4.73 115.26 113.55 3dds n ASN 747 Ca -0.01 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3dds n ASN 747 Cb 0.46 0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 3dds n ASN 747 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dds n GLY 748 N 1.44 1.14 0.37 7.41 0.00 -0.97 -4.85 105.19 109.72 3dds n GLY 748 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3dds n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dds h PHE 749 N 0.00 0.49 -0.06 1.61 3.57 -1.32 -1.30 116.94 119.94 3dds h PHE 749 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dds h PHE 749 Cb 0.00 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3dds h PHE 749 CO 0.00 0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.47 3dds n PHE 750 N -4.48 0.04 -3.06 0.41 3.72 -1.25 -4.56 117.46 108.28 3dds n PHE 750 Ca 0.13 -0.02 -0.17 0.00 -0.05 0.00 0.00 57.45 57.33 3dds n PHE 750 Cb 0.47 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3dds n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dds n SER 751 N 1.23 -0.35 0.17 4.37 3.41 -0.56 -4.72 113.62 117.16 3dds n SER 751 Ca 0.13 -3.05 0.06 0.00 -0.26 0.00 0.00 58.87 55.75 3dds n SER 751 Cb 0.55 0.08 0.53 0.00 -0.26 0.00 0.00 64.21 65.11 3dds n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3dds h PRO 752 N 3.46 0.18 0.00 4.33 0.13 -1.60 0.35 132.00 138.85 3dds h PRO 752 Ca 0.03 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3dds h PRO 752 Cb 0.97 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3dds h PRO 752 CO 0.41 0.17 0.00 0.87 -0.23 0.00 0.00 178.00 179.22 3dds h LYS 753 N 0.18 0.00 -1.83 0.86 1.57 -1.95 -3.38 116.57 112.02 3dds h LYS 753 Ca 0.05 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.35 3dds h LYS 753 Cb 0.07 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.06 3dds h LYS 753 CO -0.00 0.00 -0.90 0.94 -0.57 0.00 0.00 179.45 178.92 3dds n GLN 754 N -2.31 0.44 0.15 3.15 -0.06 0.06 -5.02 117.38 113.79 3dds n GLN 754 Ca 0.05 -2.88 0.14 0.00 -2.00 0.00 0.00 57.00 52.31 3dds n GLN 754 Cb 0.40 -1.49 0.69 0.00 -4.06 0.00 0.00 30.24 25.79 3dds n GLN 754 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3dds h PRO 755 N 4.91 0.00 -0.55 3.69 0.11 -1.61 -1.54 132.00 137.01 3dds h PRO 755 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3dds h PRO 755 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3dds h PRO 755 CO 0.34 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.73 3dds n ASP 756 N -4.35 2.96 -0.36 -2.05 5.75 -1.26 -3.50 116.55 113.73 3dds n ASP 756 Ca 0.03 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 3dds n ASP 756 Cb 0.33 -0.40 0.16 0.00 -1.03 0.00 0.00 41.12 40.17 3dds n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3dds h LEU 757 N 2.68 1.07 -3.67 -2.12 5.85 -1.61 -2.70 115.31 114.82 3dds h LEU 757 Ca 0.00 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 3dds h LEU 757 Cb 0.87 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 3dds h LEU 757 CO 0.09 0.74 0.22 0.49 -0.34 0.00 0.00 178.44 179.64 3dds n PHE 758 N -4.44 2.39 -0.22 1.25 3.72 -1.26 -4.60 117.46 114.30 3dds n PHE 758 Ca 0.13 -1.10 0.02 0.00 -0.05 0.00 0.00 57.45 56.45 3dds n PHE 758 Cb 0.09 -0.66 0.13 0.00 -0.94 0.00 0.00 39.48 38.11 3dds n PHE 758 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3dds h LYS 759 N 2.89 0.37 -0.43 -1.08 6.56 -1.83 -1.97 116.57 121.09 3dds h LYS 759 Ca 0.22 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.75 3dds h LYS 759 Cb 2.27 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 33.82 3dds h LYS 759 CO 0.69 0.24 0.13 -0.44 -2.06 0.00 0.00 179.45 178.01 3dds h ASP 760 N 0.38 0.57 -0.09 0.86 3.32 -1.86 -0.76 116.42 118.83 3dds h ASP 760 Ca 0.34 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3dds h ASP 760 Cb 0.48 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dds h ASP 760 CO -0.36 0.55 -0.08 0.40 -1.72 0.00 0.00 179.24 178.03 3dds h ILE 761 N 0.61 1.36 -0.20 0.35 2.04 -1.73 -1.55 117.51 118.39 3dds h ILE 761 Ca 0.14 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.82 3dds h ILE 761 Cb 0.20 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3dds h ILE 761 CO -0.01 0.34 0.03 0.40 0.00 0.00 0.00 178.15 178.91 3dds h ILE 762 N -0.20 0.89 -0.75 -0.67 1.08 -1.19 0.56 117.51 117.22 3dds h ILE 762 Ca 0.02 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 3dds h ILE 762 Cb 0.58 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 3dds h ILE 762 CO 0.02 0.02 0.45 -1.13 -0.69 0.00 0.00 178.15 176.82 3dds h ASN 763 N 0.10 0.70 -0.20 1.72 -1.24 -1.15 -1.54 115.58 113.97 3dds h ASN 763 Ca 0.09 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 3dds h ASN 763 Cb 0.10 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 3dds h ASN 763 CO -0.13 0.45 0.10 -0.03 -1.29 0.00 0.00 177.43 176.53 3dds h MET 764 N 0.83 0.28 -0.71 6.67 4.05 -0.87 -1.43 114.93 123.75 3dds h MET 764 Ca 0.33 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 3dds h MET 764 Cb 0.16 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 3dds h MET 764 CO -0.17 0.30 0.39 -0.07 0.23 0.00 0.00 176.91 177.59 3dds h LEU 765 N 0.19 0.87 0.03 3.39 3.38 -0.34 -0.15 115.31 122.69 3dds h LEU 765 Ca 0.07 -0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3dds h LEU 765 Cb 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3dds h LEU 765 CO -0.01 0.71 -1.59 -0.26 0.09 0.00 0.00 178.44 177.38 3dds h PHE 766 N 0.99 0.11 0.00 1.13 0.04 -1.27 -3.41 116.94 114.53 3dds h PHE 766 Ca 0.25 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3dds h PHE 766 Cb 0.02 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 3dds h PHE 766 CO 0.01 1.13 -0.62 0.66 -0.60 0.00 0.00 178.31 178.89 3dds n TYR 767 N -3.20 0.00 -2.54 -0.55 4.01 -0.55 -4.36 117.16 109.98 3dds n TYR 767 Ca -0.15 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.62 3dds n TYR 767 Cb 1.03 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.08 3dds n TYR 767 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3dds n HIS 768 N -1.14 0.20 -2.92 -0.72 8.25 -0.29 -5.03 115.22 113.58 3dds n HIS 768 Ca 0.00 -0.80 -0.44 0.00 -0.26 0.00 0.00 57.72 56.22 3dds n HIS 768 Cb 0.00 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 3dds n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dds s ASP 769 N -2.27 6.58 0.19 0.41 -1.08 -0.23 -4.85 116.67 115.42 3dds s ASP 769 Ca 0.31 -1.94 0.16 0.00 -0.52 0.00 0.00 52.55 50.56 3dds s ASP 769 Cb 0.36 -2.40 0.77 0.00 -1.46 0.00 0.00 42.92 40.19 3dds s ASP 769 CO -0.14 -1.10 1.48 0.54 0.52 0.00 0.00 175.17 176.47 3dds n ARG 770 N 6.68 0.10 -0.04 4.34 1.74 -1.26 -2.61 116.66 125.61 3dds n ARG 770 Ca 0.21 0.51 0.03 0.00 -0.77 0.00 0.00 57.85 57.83 3dds n ARG 770 Cb 0.49 -1.77 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 3dds n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dds n PHE 771 N -1.97 0.11 -3.53 -1.55 3.72 -1.26 -5.04 117.46 107.95 3dds n PHE 771 Ca 0.00 -0.24 -0.20 0.00 -0.05 0.00 0.00 57.45 56.96 3dds n PHE 771 Cb 0.08 -0.02 0.06 0.00 -0.94 0.00 0.00 39.48 38.66 3dds n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3dds n LYS 772 N 0.16 -4.41 0.08 -1.08 5.02 -1.07 -4.75 118.16 112.11 3dds n LYS 772 Ca 0.04 0.72 -0.12 0.00 -2.02 0.00 0.00 58.31 56.93 3dds n LYS 772 Cb 0.24 -5.39 -0.06 0.00 -0.02 0.00 0.00 35.03 29.80 3dds n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dds h VAL 773 N -1.72 0.68 -0.45 -0.18 2.07 -1.93 -2.68 116.25 112.06 3dds h VAL 773 Ca -0.61 0.00 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3dds h VAL 773 Cb 1.34 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3dds h VAL 773 CO 0.51 0.00 0.30 -0.26 0.02 0.00 0.00 177.57 178.14 3dds h PHE 774 N -0.26 0.52 0.00 1.57 0.04 -1.91 -2.43 116.94 114.47 3dds h PHE 774 Ca 0.03 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3dds h PHE 774 Cb 0.29 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 3dds h PHE 774 CO -0.16 0.32 -0.01 0.00 -0.60 0.00 0.00 178.31 177.86 3dds h ALA 775 N 1.73 1.01 -0.02 2.45 0.00 -1.86 -2.41 119.26 120.17 3dds h ALA 775 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dds h ALA 775 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dds h ALA 775 CO -0.04 0.01 -0.08 -0.25 0.00 0.00 0.00 179.25 178.89 3dds n ASP 776 N -3.11 2.08 0.09 0.00 8.00 -0.94 -4.74 116.55 117.93 3dds n ASP 776 Ca -0.00 -1.54 -0.13 0.00 0.71 0.00 0.00 54.79 53.83 3dds n ASP 776 Cb 0.25 0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 3dds n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3dds h TYR 777 N 2.65 -0.12 -0.02 1.24 3.20 -1.17 -0.94 116.97 121.80 3dds h TYR 777 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3dds h TYR 777 Cb 0.60 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3dds h TYR 777 CO 0.00 -0.07 -0.10 1.49 -1.64 0.00 0.00 178.16 177.84 3dds h GLU 778 N -0.15 -0.16 -0.82 1.82 4.81 -1.85 -0.62 114.58 117.61 3dds h GLU 778 Ca -0.01 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3dds h GLU 778 Cb 0.11 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3dds h GLU 778 CO 0.02 -0.11 0.37 0.00 -0.73 0.00 0.00 179.01 178.57 3dds h ALA 779 N 0.83 1.06 0.12 2.92 0.00 -1.87 -2.16 119.26 120.16 3dds h ALA 779 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dds h ALA 779 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dds h ALA 779 CO -0.12 0.66 -0.06 -0.92 0.00 0.00 0.00 179.25 178.81 3dds h TYR 780 N 1.18 -0.15 -0.76 0.00 3.20 -0.74 -0.37 116.97 119.33 3dds h TYR 780 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 3dds h TYR 780 Cb 0.16 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3dds h TYR 780 CO 0.02 -0.06 0.34 0.28 -1.64 0.00 0.00 178.16 177.10 3dds h VAL 781 N -0.21 1.25 -0.67 1.81 2.07 -1.06 0.35 116.25 119.80 3dds h VAL 781 Ca -0.02 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3dds h VAL 781 Cb 0.16 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3dds h VAL 781 CO 0.03 0.30 0.36 0.11 0.02 0.00 0.00 177.57 178.39 3dds h LYS 782 N 1.08 0.93 -0.49 1.57 1.57 -1.25 -1.90 116.57 118.07 3dds h LYS 782 Ca 0.26 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3dds h LYS 782 Cb 0.15 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3dds h LYS 782 CO -0.03 0.70 0.20 0.00 -0.57 0.00 0.00 179.45 179.76 3dds h GLN 784 N 0.66 0.90 -0.74 0.00 1.08 -0.65 -1.87 115.11 114.49 3dds h GLN 784 Ca 0.17 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 3dds h GLN 784 Cb 0.18 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 3dds h GLN 784 CO -0.01 0.60 0.34 -0.44 -0.95 0.00 0.00 178.83 178.36 3dds h ASP 785 N 0.93 0.96 -0.48 1.46 3.32 -0.96 -1.45 116.42 120.21 3dds h ASP 785 Ca 0.36 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3dds h ASP 785 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3dds h ASP 785 CO -0.13 0.82 0.06 0.11 -1.72 0.00 0.00 179.24 178.38 3dds h LYS 786 N 1.05 0.87 -0.07 3.56 1.57 -1.09 -2.24 116.57 120.22 3dds h LYS 786 Ca 0.25 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3dds h LYS 786 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3dds h LYS 786 CO -0.03 0.83 0.05 0.28 -0.57 0.00 0.00 179.45 180.01 3dds h VAL 787 N 0.82 1.03 -0.66 0.50 2.07 -0.71 -1.72 116.25 117.58 3dds h VAL 787 Ca 0.17 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.69 3dds h VAL 787 Cb 0.41 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3dds h VAL 787 CO 0.01 0.03 0.34 0.28 0.02 0.00 0.00 177.57 178.25 3dds h SER 788 N 0.08 0.48 -0.18 0.57 0.02 -1.13 -1.37 113.55 112.02 3dds h SER 788 Ca 0.03 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3dds h SER 788 Cb 0.01 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3dds h SER 788 CO -0.01 0.30 0.07 1.56 -1.14 0.00 0.00 176.83 177.61 3dds h GLN 789 N 0.62 0.15 -0.65 3.45 4.20 -1.10 -2.60 115.11 119.18 3dds h GLN 789 Ca 0.31 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 3dds h GLN 789 Cb 0.26 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3dds h GLN 789 CO -0.22 0.10 0.27 1.25 -0.67 0.00 0.00 178.83 179.56 3dds h LEU 790 N 0.16 0.87 -1.89 1.46 5.85 -0.94 -2.83 115.31 117.98 3dds h LEU 790 Ca 0.08 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3dds h LEU 790 Cb 0.04 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3dds h LEU 790 CO -0.07 0.77 -0.07 0.22 -0.34 0.00 0.00 178.44 178.94 3dds h TYR 791 N 0.94 0.00 0.00 1.25 3.20 -0.87 -0.37 116.97 121.12 3dds h TYR 791 Ca 0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3dds h TYR 791 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3dds h TYR 791 CO 0.01 0.07 0.00 -1.33 -1.64 0.00 0.00 178.16 175.28 3dds n MET 792 N -4.38 0.74 -3.92 1.82 2.81 -1.07 -4.08 117.12 109.04 3dds n MET 792 Ca -0.03 0.01 -0.29 0.00 -1.81 0.00 0.00 57.70 55.58 3dds n MET 792 Cb 0.15 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.03 3dds n MET 792 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3dds s ASN 793 N -2.13 4.51 0.36 7.83 3.84 -0.15 -4.99 114.94 124.21 3dds s ASN 793 Ca 0.37 -3.39 0.12 0.00 0.21 0.00 0.00 52.86 50.17 3dds s ASN 793 Cb 0.19 -1.62 0.91 0.00 -0.55 0.00 0.00 41.25 40.18 3dds s ASN 793 CO 0.34 -0.16 1.81 -0.65 -2.79 0.00 0.00 177.10 175.64 3dds h PRO 794 N 6.00 0.57 -0.13 0.43 0.11 -1.76 0.11 132.00 137.33 3dds h PRO 794 Ca 0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3dds h PRO 794 Cb 0.83 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3dds h PRO 794 CO 0.70 0.38 0.03 -0.22 -0.21 0.00 0.00 178.00 178.68 3dds h LYS 795 N 0.59 0.21 -0.34 1.05 3.64 -1.94 0.06 116.57 119.84 3dds h LYS 795 Ca 0.53 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.74 3dds h LYS 795 Cb 1.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3dds h LYS 795 CO -0.28 0.36 -0.30 0.00 -2.27 0.00 0.00 179.45 176.96 3dds h ALA 796 N 0.84 0.83 0.44 5.00 0.00 -1.74 -1.30 119.26 123.32 3dds h ALA 796 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3dds h ALA 796 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dds h ALA 796 CO -0.00 0.64 -0.24 2.35 0.00 0.00 0.00 179.25 182.00 3dds h TRP 797 N 0.62 -0.61 0.00 0.00 2.91 -0.66 -2.32 115.95 115.89 3dds h TRP 797 Ca 0.07 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.03 3dds h TRP 797 Cb 0.82 0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 3dds h TRP 797 CO 0.04 -0.37 -0.27 -0.91 -1.03 0.00 0.00 178.44 175.90 3dds h ASN 798 N -0.63 0.00 -0.48 2.65 2.35 -0.96 -1.36 115.58 117.15 3dds h ASN 798 Ca -0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3dds h ASN 798 Cb 0.50 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3dds h ASN 798 CO 0.08 0.27 0.19 0.74 -1.65 0.00 0.00 177.43 177.05 3dds h THR 799 N 0.00 1.21 -0.53 2.81 2.02 -1.18 -0.88 112.91 116.37 3dds h THR 799 Ca -0.00 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 3dds h THR 799 Cb 0.81 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3dds h THR 799 CO 0.03 0.25 -0.03 -0.03 0.37 0.00 0.00 175.52 176.11 3dds h MET 800 N 0.63 0.93 0.11 6.66 1.85 -0.80 -2.31 114.93 122.00 3dds h MET 800 Ca 0.16 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 3dds h MET 800 Cb 0.21 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 3dds h MET 800 CO -0.01 0.93 -0.11 0.28 -0.40 0.00 0.00 176.91 177.60 3dds h VAL 801 N 0.85 0.75 -0.78 -5.77 2.07 -1.09 -1.96 116.25 110.32 3dds h VAL 801 Ca 0.15 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.84 3dds h VAL 801 Cb 0.54 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 3dds h VAL 801 CO 0.03 0.00 0.28 0.25 0.02 0.00 0.00 177.57 178.15 3dds h LEU 802 N -0.25 0.20 -1.42 2.57 5.85 -1.02 0.25 115.31 121.49 3dds h LEU 802 Ca 0.00 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3dds h LEU 802 Cb 0.24 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3dds h LEU 802 CO -0.03 0.04 -0.29 0.11 -0.34 0.00 0.00 178.44 177.93 3dds h LYS 803 N 0.38 0.00 0.05 1.25 1.57 -1.02 -0.06 116.57 118.74 3dds h LYS 803 Ca 0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3dds h LYS 803 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3dds h LYS 803 CO -0.46 0.29 -0.02 -0.91 -0.57 0.00 0.00 179.45 177.77 3dds h ASN 804 N 0.00 -0.05 -0.36 0.86 2.35 -0.32 -3.08 115.58 114.98 3dds h ASN 804 Ca -0.00 -0.59 0.03 0.00 -0.55 0.00 0.00 56.30 55.19 3dds h ASN 804 Cb 0.55 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3dds h ASN 804 CO 0.04 0.60 0.16 0.40 -1.65 0.00 0.00 177.43 176.98 3dds h ILE 805 N -0.76 0.95 0.00 2.81 2.04 -0.92 -2.24 117.51 119.38 3dds h ILE 805 Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3dds h ILE 805 Cb 0.64 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3dds h ILE 805 CO 0.01 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3dds h ALA 806 N 1.20 1.00 -0.47 1.87 0.00 -1.13 -2.31 119.26 119.43 3dds h ALA 806 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dds h ALA 806 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dds h ALA 806 CO -0.13 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3dds n ALA 807 N -2.02 2.41 1.39 0.00 0.00 -0.89 -2.46 120.51 118.95 3dds n ALA 807 Ca -0.01 -1.35 0.14 0.00 0.00 0.00 0.00 53.44 52.22 3dds n ALA 807 Cb 0.19 -0.65 0.53 0.00 0.00 0.00 0.00 19.45 19.52 3dds n ALA 807 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dds n SER 808 N 0.75 0.84 -0.16 0.00 3.41 -0.87 -4.36 113.62 113.23 3dds n SER 808 Ca 0.17 -0.88 0.11 0.00 -0.26 0.00 0.00 58.87 58.02 3dds n SER 808 Cb 0.57 0.02 0.44 0.00 -0.26 0.00 0.00 64.21 64.99 3dds n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3dds h GLY 809 N 4.93 0.82 1.47 5.00 0.00 -1.79 -1.06 103.07 112.44 3dds h GLY 809 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.16 3dds h GLY 809 CO 0.00 0.12 0.20 1.70 0.00 0.00 0.00 176.54 178.57 3dds h LYS 810 N 0.55 0.00 -0.48 4.80 3.64 -1.88 -2.80 116.57 120.40 3dds h LYS 810 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3dds h LYS 810 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3dds h LYS 810 CO -0.12 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.25 3dds n PHE 811 N -4.03 0.67 -2.19 1.91 3.72 -0.40 -4.74 117.46 112.40 3dds n PHE 811 Ca 0.02 -0.31 -0.41 0.00 -0.05 0.00 0.00 57.45 56.70 3dds n PHE 811 Cb 0.34 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 3dds n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dds s SER 812 N -0.91 6.87 0.26 4.37 0.15 -1.06 -0.61 113.70 122.76 3dds s SER 812 Ca 0.29 2.43 0.21 0.00 0.70 0.00 0.00 55.95 59.58 3dds s SER 812 Cb 0.16 -2.61 0.99 0.00 -1.71 0.00 0.00 66.02 62.85 3dds s SER 812 CO 0.18 -0.55 1.65 -1.54 1.20 0.00 0.00 173.24 174.17 3dds n SER 813 N 2.67 0.56 -0.28 5.45 3.41 0.28 -1.80 113.62 123.91 3dds n SER 813 Ca 0.06 0.68 -0.05 0.00 -0.26 0.00 0.00 58.87 59.31 3dds n SER 813 Cb 0.42 -0.79 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 3dds n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dds h ASP 814 N 0.00 1.07 -0.01 4.04 3.32 -1.91 -0.12 116.42 122.82 3dds h ASP 814 Ca 0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3dds h ASP 814 Cb 0.21 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3dds h ASP 814 CO 0.00 0.92 0.00 -0.09 -1.72 0.00 0.00 179.24 178.35 3dds h ARG 815 N 1.15 0.01 -0.36 3.56 1.12 -1.67 -1.80 114.38 116.39 3dds h ARG 815 Ca 0.27 -0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.21 3dds h ARG 815 Cb 0.16 -0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.05 3dds h ARG 815 CO -0.03 0.24 -0.06 1.15 -3.11 0.00 0.00 179.97 178.15 3dds h THR 816 N -0.21 0.66 -0.62 0.20 2.02 -1.45 -2.41 112.91 111.10 3dds h THR 816 Ca 0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 3dds h THR 816 Cb 0.23 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3dds h THR 816 CO 0.00 0.01 0.12 0.40 0.37 0.00 0.00 175.52 176.41 3dds h ILE 817 N 0.03 1.26 -0.99 3.11 1.08 -0.98 -1.74 117.51 119.28 3dds h ILE 817 Ca 0.18 -0.98 0.11 0.00 -0.39 0.00 0.00 64.86 63.77 3dds h ILE 817 Cb 0.26 0.70 -0.08 0.00 -3.07 0.00 0.00 36.82 34.63 3dds h ILE 817 CO -0.35 0.37 0.63 0.11 -0.69 0.00 0.00 178.15 178.21 3dds h LYS 818 N 0.93 0.98 -0.28 2.37 1.57 -1.03 0.69 116.57 121.79 3dds h LYS 818 Ca 0.19 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3dds h LYS 818 Cb 0.41 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3dds h LYS 818 CO 0.01 0.65 -0.28 0.93 -0.57 0.00 0.00 179.45 180.19 3dds h GLU 819 N 1.01 0.68 -0.54 3.15 5.08 -0.93 -1.16 114.58 121.88 3dds h GLU 819 Ca 0.48 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3dds h GLU 819 Cb 0.44 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3dds h GLU 819 CO -0.24 0.97 0.31 1.88 -1.00 0.00 0.00 179.01 180.93 3dds h TYR 820 N 0.42 0.58 -0.24 4.33 0.05 -0.98 -1.64 116.97 119.49 3dds h TYR 820 Ca 0.05 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.85 3dds h TYR 820 Cb 0.84 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 3dds h TYR 820 CO 0.07 0.31 0.13 0.00 -1.05 0.00 0.00 178.16 177.63 3dds h ALA 821 N 1.25 0.29 -0.12 3.88 0.00 -0.66 0.19 119.26 124.10 3dds h ALA 821 Ca 0.22 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3dds h ALA 821 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dds h ALA 821 CO -0.12 -0.26 -0.38 0.37 0.00 0.00 0.00 179.25 178.86 3dds h GLN 822 N 0.28 0.47 -0.00 0.00 4.15 -1.15 0.07 115.11 118.92 3dds h GLN 822 Ca 0.09 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3dds h GLN 822 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3dds h GLN 822 CO -0.05 0.97 -0.57 0.09 -1.93 0.00 0.00 178.83 177.34 3dds n ASN 823 N -4.33 1.06 0.04 -0.69 5.03 -0.62 -4.41 115.26 111.33 3dds n ASN 823 Ca -0.07 -1.03 0.00 0.00 0.87 0.00 0.00 54.58 54.34 3dds n ASN 823 Cb 0.53 0.80 0.00 0.00 -1.02 0.00 0.00 39.78 40.09 3dds n ASN 823 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3dds n ILE 824 N -0.89 0.36 0.13 2.41 5.41 -0.09 -4.90 119.36 121.80 3dds n ILE 824 Ca 0.04 0.12 0.04 0.00 1.00 0.00 0.00 62.75 63.96 3dds n ILE 824 Cb 0.28 -1.19 0.03 0.00 -0.71 0.00 0.00 39.64 38.05 3dds n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 3dds h TRP 825 N 0.00 0.00 -5.47 1.39 6.55 -1.25 -3.49 115.95 113.67 3dds h TRP 825 Ca 0.00 0.00 -0.31 0.00 0.95 0.00 0.00 58.89 59.53 3dds h TRP 825 Cb 0.37 0.00 0.16 0.00 -0.86 0.00 0.00 29.16 28.83 3dds h TRP 825 CO 0.00 0.39 -0.73 -1.71 -1.05 0.00 0.00 178.44 175.33 3dds n ASN 826 N -3.10 -2.05 -4.32 -3.49 5.15 -0.07 -4.88 115.26 102.50 3dds n ASN 826 Ca 0.00 -0.59 -0.17 0.00 -0.60 0.00 0.00 54.58 53.22 3dds n ASN 826 Cb 0.70 -4.91 -0.10 0.00 -0.53 0.00 0.00 39.78 34.95 3dds n ASN 826 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dds s VAL 827 N -3.34 1.52 -0.09 3.44 -7.23 -0.69 -4.96 120.40 109.05 3dds s VAL 827 Ca 0.00 -2.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.05 3dds s VAL 827 Cb -0.00 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 3dds s VAL 827 CO 0.69 -0.62 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.08 3dds s GLU 828 N -3.69 2.91 0.33 4.82 2.02 -1.26 -4.18 118.70 119.64 3dds s GLU 828 Ca 0.21 -0.76 -0.28 0.00 0.02 0.00 0.00 54.97 54.16 3dds s GLU 828 Cb 0.01 -2.41 -0.13 0.00 0.10 0.00 0.00 34.13 31.70 3dds s GLU 828 CO 0.05 0.36 1.17 -2.30 0.02 0.00 0.00 175.26 174.56 3dds n PRO 829 N 3.05 1.78 0.00 0.39 -0.02 -1.26 -4.76 135.00 134.19 3dds n PRO 829 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3dds n PRO 829 Cb 0.52 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3dds n PRO 829 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93