#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmr s ALA 4 N 0.00 3.66 -0.07 -1.18 0.00 -1.26 -4.65 121.76 118.26 3dmr s ALA 4 Ca 0.00 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.20 3dmr s ALA 4 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3dmr s ALA 4 CO 0.00 -0.68 -0.08 -0.80 0.00 0.00 0.00 175.76 174.21 3dmr s ASN 5 N 1.00 1.57 0.00 0.00 0.01 -1.26 -1.18 114.94 115.07 3dmr s ASN 5 Ca 0.66 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.58 3dmr s ASN 5 Cb -0.40 -0.67 0.00 0.00 0.41 0.00 0.00 41.25 40.59 3dmr s ASN 5 CO 0.32 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.48 3dmr n GLY 6 N 4.24 -1.76 3.36 0.66 0.00 -0.90 -4.99 105.19 105.80 3dmr n GLY 6 Ca -0.20 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 3dmr n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dmr s THR 7 N -2.75 2.21 -0.04 2.61 -4.23 -1.26 0.07 115.64 112.25 3dmr s THR 7 Ca 0.00 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.03 3dmr s THR 7 Cb 0.00 -1.89 0.03 0.00 1.34 0.00 0.00 72.50 71.98 3dmr s THR 7 CO 0.00 0.30 0.08 -0.69 -0.54 0.00 0.00 174.62 173.77 3dmr s VAL 8 N -0.87 -0.04 -0.10 2.29 1.01 -0.65 -4.95 120.40 117.09 3dmr s VAL 8 Ca 0.12 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 3dmr s VAL 8 Cb -0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 3dmr s VAL 8 CO 0.03 0.06 0.32 -0.32 0.00 0.00 0.00 175.10 175.19 3dmr s MET 9 N 0.87 4.02 0.00 2.72 1.75 -1.26 0.94 119.30 128.33 3dmr s MET 9 Ca -0.07 0.19 0.00 0.00 -1.25 0.00 0.00 55.69 54.56 3dmr s MET 9 Cb -0.09 -3.32 0.00 0.00 2.84 0.00 0.00 34.83 34.25 3dmr s MET 9 CO -0.03 0.47 0.00 0.45 -0.65 0.00 0.00 175.02 175.26 3dmr n SER 10 N 2.75 0.00 -3.30 1.11 2.88 -0.68 -3.49 113.62 112.89 3dmr n SER 10 Ca -0.14 -0.79 -0.14 0.00 -1.33 0.00 0.00 58.87 56.48 3dmr n SER 10 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 3dmr n SER 10 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3dmr s GLY 11 N -0.79 1.28 0.00 0.46 0.00 -1.26 -1.44 107.32 105.57 3dmr s GLY 11 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.34 3dmr s GLY 11 CO 0.00 -0.90 0.00 -1.14 0.00 0.00 0.00 173.10 171.06 3dmr n SER 12 N -1.29 0.00 0.16 1.64 3.41 -0.65 -4.99 113.62 111.90 3dmr n SER 12 Ca -0.00 -0.54 0.13 0.00 -0.26 0.00 0.00 58.87 58.19 3dmr n SER 12 Cb 0.61 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.03 3dmr n SER 12 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3dmr h HIS 13 N 0.54 0.00 -0.02 7.33 3.86 -1.87 -3.17 115.15 121.82 3dmr h HIS 13 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dmr h HIS 13 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3dmr h HIS 13 CO 0.00 0.00 -0.32 0.91 0.86 0.00 0.00 177.93 179.38 3dmr n TRP 14 N -2.48 0.00 0.00 2.45 8.01 -1.26 -1.45 117.44 122.71 3dmr n TRP 14 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 3dmr n TRP 14 Cb 0.34 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 3dmr n TRP 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dmr n GLY 15 N 1.34 0.69 3.83 6.99 0.00 -1.20 -4.47 105.19 112.37 3dmr n GLY 15 Ca 0.10 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 3dmr n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmr s VAL 16 N -1.02 4.85 0.20 1.61 1.01 -1.26 -1.63 120.40 124.16 3dmr s VAL 16 Ca 0.00 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.87 3dmr s VAL 16 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3dmr s VAL 16 CO 0.00 0.50 0.43 0.72 0.00 0.00 0.00 175.10 176.75 3dmr s PHE 17 N -1.17 0.20 -0.16 5.22 -0.12 -0.52 -1.72 117.98 119.70 3dmr s PHE 17 Ca 0.29 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.62 3dmr s PHE 17 Cb -0.18 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 3dmr s PHE 17 CO 0.17 -0.88 -0.17 0.99 -0.05 0.00 0.00 175.22 175.28 3dmr s THR 18 N -3.95 2.46 0.13 -4.49 2.01 0.10 -1.68 115.64 110.22 3dmr s THR 18 Ca 0.16 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 3dmr s THR 18 Cb 0.00 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.42 3dmr s THR 18 CO 0.02 0.52 0.47 0.00 -0.69 0.00 0.00 174.62 174.95 3dmr s ALA 19 N 0.92 3.66 -0.23 7.40 0.00 0.27 -0.79 121.76 132.98 3dmr s ALA 19 Ca -0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 3dmr s ALA 19 Cb -0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 3dmr s ALA 19 CO -0.03 0.53 0.11 0.99 0.00 0.00 0.00 175.76 177.36 3dmr s THR 20 N -1.50 4.83 -0.12 0.00 2.01 -0.16 -1.63 115.64 119.07 3dmr s THR 20 Ca 0.37 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 3dmr s THR 20 Cb -0.14 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 3dmr s THR 20 CO 0.19 0.36 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.70 3dmr s VAL 21 N 1.18 3.44 -0.17 3.82 1.01 0.11 -1.04 120.40 128.75 3dmr s VAL 21 Ca 0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3dmr s VAL 21 Cb -0.14 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.84 3dmr s VAL 21 CO 0.04 0.54 0.02 -1.61 0.00 0.00 0.00 175.10 174.10 3dmr s GLU 22 N 0.00 0.69 -1.36 2.72 2.02 -0.56 -2.12 118.70 120.09 3dmr s GLU 22 Ca -0.02 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 3dmr s GLU 22 Cb -0.14 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.22 3dmr s GLU 22 CO 0.03 -0.57 0.84 0.09 0.02 0.00 0.00 175.26 175.68 3dmr n ASN 23 N 5.06 -2.60 -0.47 -0.19 3.02 -0.39 -2.28 115.26 117.41 3dmr n ASN 23 Ca -0.09 -0.77 -0.06 0.00 -0.03 0.00 0.00 54.58 53.63 3dmr n ASN 23 Cb 0.48 -4.18 -0.03 0.00 -0.61 0.00 0.00 39.78 35.44 3dmr n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dmr n GLY 24 N -1.60 0.83 2.98 7.41 0.00 -0.33 -4.72 105.19 109.76 3dmr n GLY 24 Ca -0.19 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 3dmr n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dmr s ARG 25 N -2.19 1.31 0.04 1.61 3.52 -0.97 -4.77 118.95 117.50 3dmr s ARG 25 Ca 0.00 -0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 54.99 3dmr s ARG 25 Cb 0.00 -1.15 -0.06 0.00 -1.56 0.00 0.00 34.95 32.18 3dmr s ARG 25 CO 0.00 0.01 1.40 0.00 -0.81 0.00 0.00 175.30 175.90 3dmr s ALA 26 N 0.66 3.58 -0.20 6.12 0.00 -1.26 -1.50 121.76 129.16 3dmr s ALA 26 Ca -0.12 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.85 3dmr s ALA 26 Cb -0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 3dmr s ALA 26 CO 0.02 -0.81 0.18 0.25 0.00 0.00 0.00 175.76 175.40 3dmr n THR 27 N 4.42 0.00 -3.58 0.00 -2.24 -0.21 -4.97 114.28 107.70 3dmr n THR 27 Ca 0.13 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3dmr n THR 27 Cb 0.43 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 3dmr n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dmr s ALA 28 N -1.43 -1.89 -0.20 6.98 0.00 -1.25 -4.98 121.76 118.99 3dmr s ALA 28 Ca 0.02 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.59 3dmr s ALA 28 Cb 0.03 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.48 3dmr s ALA 28 CO 0.18 -0.31 -0.18 -0.06 0.00 0.00 0.00 175.76 175.39 3dmr s PHE 29 N -0.79 2.90 -0.10 0.00 0.40 -1.26 -0.99 117.98 118.13 3dmr s PHE 29 Ca -0.03 -1.80 -0.00 0.00 -0.60 0.00 0.00 56.93 54.50 3dmr s PHE 29 Cb -0.01 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 3dmr s PHE 29 CO 0.02 -0.82 -0.08 0.99 0.70 0.00 0.00 175.22 176.03 3dmr s THR 30 N 1.25 3.55 0.73 0.64 2.01 0.03 -4.86 115.64 119.00 3dmr s THR 30 Ca 0.02 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 3dmr s THR 30 Cb -0.15 -2.48 0.04 0.00 0.01 0.00 0.00 72.50 69.92 3dmr s THR 30 CO -0.11 0.56 1.21 -2.16 -0.69 0.00 0.00 174.62 173.42 3dmr s PRO 31 N -0.29 2.13 0.35 4.92 0.04 -1.26 0.01 135.00 140.89 3dmr s PRO 31 Ca 0.04 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 3dmr s PRO 31 Cb -0.13 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 3dmr s PRO 31 CO 0.03 -1.84 1.49 -0.46 0.04 0.00 0.00 177.00 176.25 3dmr s TRP 32 N -1.99 2.67 0.44 0.56 -0.00 -0.70 -4.70 118.94 115.21 3dmr s TRP 32 Ca 0.74 1.10 0.12 0.00 -0.00 0.00 0.00 56.10 58.06 3dmr s TRP 32 Cb -0.29 -4.00 0.98 0.00 -0.00 0.00 0.00 33.47 30.15 3dmr s TRP 32 CO 0.45 -3.03 2.03 1.05 -0.00 0.00 0.00 176.95 177.46 3dmr h GLU 33 N 3.47 0.19 -0.01 5.86 4.11 -1.93 -2.29 114.58 123.99 3dmr h GLU 33 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3dmr h GLU 33 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3dmr h GLU 33 CO 0.68 0.23 -0.05 1.63 0.07 0.00 0.00 179.01 181.57 3dmr n LYS 34 N -4.40 1.27 -2.19 1.06 5.02 -1.26 -4.83 118.16 112.82 3dmr n LYS 34 Ca -0.01 -0.60 -0.43 0.00 -2.02 0.00 0.00 58.31 55.25 3dmr n LYS 34 Cb 0.17 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 3dmr n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dmr s ASP 35 N -2.14 6.45 0.50 4.39 -1.08 -0.86 -4.89 116.67 119.03 3dmr s ASP 35 Ca 0.37 1.51 0.28 0.00 -0.52 0.00 0.00 52.55 54.19 3dmr s ASP 35 Cb 0.21 -2.53 1.26 0.00 -1.46 0.00 0.00 42.92 40.39 3dmr s ASP 35 CO 0.39 -1.22 1.97 1.55 0.52 0.00 0.00 175.17 178.38 3dmr h PRO 36 N 10.39 0.00 -1.46 4.34 0.13 -1.87 -3.39 132.00 140.14 3dmr h PRO 36 Ca -0.32 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.52 3dmr h PRO 36 Cb 1.14 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.03 3dmr h PRO 36 CO 1.01 0.14 -0.65 -1.58 -0.23 0.00 0.00 178.00 176.69 3dmr s HIS 37 N -3.86 -0.73 0.77 1.56 2.46 -1.26 -4.94 115.29 109.29 3dmr s HIS 37 Ca -0.01 -1.11 -0.14 0.00 0.47 0.00 0.00 55.06 54.27 3dmr s HIS 37 Cb 0.11 -0.09 0.06 0.00 -0.13 0.00 0.00 32.58 32.53 3dmr s HIS 37 CO 0.59 -1.13 1.18 -0.35 -2.47 0.00 0.00 174.74 172.56 3dmr n PRO 38 N 3.00 0.39 -3.73 2.88 -0.04 -1.26 -4.93 135.00 131.31 3dmr n PRO 38 Ca 0.21 0.20 -0.37 0.00 -0.04 0.00 0.00 63.50 63.51 3dmr n PRO 38 Cb 0.53 -2.42 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 3dmr n PRO 38 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dmr s SER 39 N -1.92 6.45 0.41 3.54 0.15 -1.26 -4.99 113.70 116.07 3dmr s SER 39 Ca 0.75 0.53 0.29 0.00 0.70 0.00 0.00 55.95 58.22 3dmr s SER 39 Cb -0.31 -2.13 1.38 0.00 -1.71 0.00 0.00 66.02 63.25 3dmr s SER 39 CO 0.49 0.30 1.87 -0.65 1.20 0.00 0.00 173.24 176.45 3dmr h PRO 40 N 5.50 0.00 0.00 5.44 0.11 -1.97 -2.53 132.00 138.55 3dmr h PRO 40 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dmr h PRO 40 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dmr h PRO 40 CO 0.65 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.11 3dmr n MET 41 N -2.55 0.09 -0.35 1.05 2.81 -1.26 -3.77 117.12 113.14 3dmr n MET 41 Ca -0.00 0.14 0.09 0.00 -1.81 0.00 0.00 57.70 56.12 3dmr n MET 41 Cb 0.15 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.42 3dmr n MET 41 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3dmr h LEU 42 N 0.00 0.81 -1.46 4.03 3.38 -1.84 -0.45 115.31 119.79 3dmr h LEU 42 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dmr h LEU 42 Cb 0.29 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3dmr h LEU 42 CO 0.00 0.37 0.32 0.00 0.09 0.00 0.00 178.44 179.23 3dmr h ALA 43 N 1.58 1.60 -0.15 1.53 0.00 -1.85 -1.79 119.26 120.17 3dmr h ALA 43 Ca 0.52 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 3dmr h ALA 43 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dmr h ALA 43 CO -0.32 0.36 -0.45 0.78 0.00 0.00 0.00 179.25 179.62 3dmr h GLY 44 N 0.73 0.41 0.97 0.00 0.00 -1.35 -2.73 103.07 101.10 3dmr h GLY 44 Ca 0.19 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.11 3dmr h GLY 44 CO -0.04 0.38 0.27 -2.08 0.00 0.00 0.00 176.54 175.07 3dmr h VAL 45 N 0.30 1.09 -0.11 4.60 2.07 -0.93 0.69 116.25 123.96 3dmr h VAL 45 Ca 0.02 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3dmr h VAL 45 Cb 0.92 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3dmr h VAL 45 CO 0.08 0.10 0.07 0.25 0.02 0.00 0.00 177.57 178.09 3dmr h LEU 46 N 0.55 0.14 -1.97 2.57 5.85 -1.46 -2.26 115.31 118.74 3dmr h LEU 46 Ca 0.16 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3dmr h LEU 46 Cb -0.04 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3dmr h LEU 46 CO -0.05 0.15 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.39 3dmr h ASP 47 N 0.12 0.00 0.04 1.25 3.58 -1.19 -2.64 116.42 117.58 3dmr h ASP 47 Ca 0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 3dmr h ASP 47 Cb 0.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 3dmr h ASP 47 CO -0.01 0.03 -0.00 0.77 -2.88 0.00 0.00 179.24 177.15 3dmr h SER 48 N 0.00 0.00 -0.02 2.28 4.64 -0.23 -0.90 113.55 119.32 3dmr h SER 48 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3dmr h SER 48 Cb 0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3dmr h SER 48 CO 0.00 0.00 -0.76 0.40 -0.87 0.00 0.00 176.83 175.60 3dmr h ILE 49 N 0.00 1.31 -0.01 0.95 2.04 -1.55 -3.37 117.51 116.87 3dmr h ILE 49 Ca -0.00 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.84 3dmr h ILE 49 Cb 0.02 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3dmr h ILE 49 CO 0.00 0.63 0.00 -1.22 0.00 0.00 0.00 178.15 177.56 3dmr n TYR 50 N -3.90 0.01 -0.59 1.37 4.01 -0.75 -4.93 117.16 112.37 3dmr n TYR 50 Ca -0.06 -0.01 -0.30 0.00 -0.16 0.00 0.00 57.90 57.37 3dmr n TYR 50 Cb 0.73 -0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.97 3dmr n TYR 50 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3dmr n SER 51 N 0.35 -1.01 0.23 7.72 3.41 -0.42 -4.88 113.62 119.03 3dmr n SER 51 Ca 0.04 0.10 0.16 0.00 -0.26 0.00 0.00 58.87 58.91 3dmr n SER 51 Cb 0.16 -1.32 0.74 0.00 -0.26 0.00 0.00 64.21 63.53 3dmr n SER 51 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3dmr h PRO 52 N -2.26 0.00 -0.51 4.33 0.11 -1.87 -2.25 132.00 129.55 3dmr h PRO 52 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dmr h PRO 52 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3dmr h PRO 52 CO 0.44 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.48 3dmr n THR 53 N -2.72 0.81 -2.19 -1.15 -2.24 -1.26 -3.85 114.28 101.67 3dmr n THR 53 Ca -0.00 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 3dmr n THR 53 Cb 0.19 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3dmr n THR 53 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dmr s ARG 54 N -1.55 4.38 -0.28 -0.78 6.06 -0.85 -0.11 118.95 125.83 3dmr s ARG 54 Ca 0.30 2.10 -0.23 0.00 -2.50 0.00 0.00 55.73 55.39 3dmr s ARG 54 Cb 0.17 -3.16 -0.00 0.00 0.06 0.00 0.00 34.95 32.02 3dmr s ARG 54 CO 0.17 -0.23 0.78 0.42 -2.50 0.00 0.00 175.30 173.94 3dmr s ILE 55 N -0.22 4.84 -0.13 4.11 1.01 -0.49 -4.83 121.20 125.48 3dmr s ILE 55 Ca 0.55 1.31 -0.18 0.00 0.00 0.00 0.00 60.65 62.33 3dmr s ILE 55 Cb -0.37 -4.10 -0.16 0.00 0.01 0.00 0.00 42.46 37.83 3dmr s ILE 55 CO 0.42 -0.14 0.42 0.11 0.00 0.00 0.00 174.94 175.74 3dmr h LYS 56 N 7.93 0.00 -5.45 2.79 1.57 -1.91 -3.44 116.57 118.06 3dmr h LYS 56 Ca -0.24 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.12 3dmr h LYS 56 Cb 1.10 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.27 3dmr h LYS 56 CO 0.86 0.63 -0.73 0.71 -0.57 0.00 0.00 179.45 180.35 3dmr s TYR 57 N -2.03 1.60 0.16 -1.35 2.02 -1.26 -1.38 117.35 115.11 3dmr s TYR 57 Ca -0.14 -0.62 -0.31 0.00 -0.37 0.00 0.00 57.07 55.64 3dmr s TYR 57 Cb -0.01 -0.76 -0.09 0.00 -0.40 0.00 0.00 41.96 40.71 3dmr s TYR 57 CO 0.44 0.29 1.39 -1.25 -1.57 0.00 0.00 175.55 174.85 3dmr s PRO 58 N -3.67 4.32 0.09 -1.71 0.04 -1.26 -4.56 135.00 128.25 3dmr s PRO 58 Ca 0.21 2.13 0.07 0.00 0.04 0.00 0.00 61.00 63.45 3dmr s PRO 58 Cb 0.00 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 3dmr s PRO 58 CO 0.05 -0.41 -0.19 -1.64 0.04 0.00 0.00 177.00 174.86 3dmr s MET 59 N 0.63 1.05 -0.04 4.56 -1.94 -0.49 -2.30 119.30 120.76 3dmr s MET 59 Ca 0.63 -1.09 0.04 0.00 -1.71 0.00 0.00 55.69 53.56 3dmr s MET 59 Cb -0.38 -1.23 -0.00 0.00 2.01 0.00 0.00 34.83 35.22 3dmr s MET 59 CO 0.34 0.29 -0.16 0.08 -0.01 0.00 0.00 175.02 175.55 3dmr s VAL 60 N -1.17 1.38 0.12 -6.03 1.01 0.82 -1.21 120.40 115.31 3dmr s VAL 60 Ca 0.04 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 3dmr s VAL 60 Cb -0.10 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 3dmr s VAL 60 CO 0.04 0.40 1.84 -0.60 0.00 0.00 0.00 175.10 176.78 3dmr s ARG 61 N 0.04 4.14 0.18 2.72 3.52 0.19 0.24 118.95 129.98 3dmr s ARG 61 Ca -0.04 2.60 -0.18 0.00 -0.13 0.00 0.00 55.73 57.99 3dmr s ARG 61 Cb -0.11 -3.63 0.13 0.00 -1.56 0.00 0.00 34.95 29.77 3dmr s ARG 61 CO 0.02 -0.85 1.63 -0.09 -0.81 0.00 0.00 175.30 175.20 3dmr h ARG 62 N 8.75 -0.08 -0.89 5.12 2.43 -1.60 0.34 114.38 128.44 3dmr h ARG 62 Ca -0.46 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3dmr h ARG 62 Cb 1.22 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 3dmr h ARG 62 CO 0.95 -0.06 0.54 0.93 -1.51 0.00 0.00 179.97 180.82 3dmr h GLU 63 N -0.09 1.21 -0.50 0.20 3.07 -1.91 -1.86 114.58 114.71 3dmr h GLU 63 Ca 0.22 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 3dmr h GLU 63 Cb 0.43 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3dmr h GLU 63 CO -0.52 0.85 -0.16 0.35 -1.40 0.00 0.00 179.01 178.13 3dmr h PHE 64 N 1.23 1.10 -0.23 4.33 3.04 -1.56 0.17 116.94 125.02 3dmr h PHE 64 Ca 0.32 -0.24 0.04 0.00 3.98 0.00 0.00 57.97 62.07 3dmr h PHE 64 Cb -0.05 -0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.16 3dmr h PHE 64 CO 0.00 1.05 -0.02 1.25 -2.02 0.00 0.00 178.31 178.57 3dmr h LEU 65 N 0.85 -0.13 0.02 0.59 6.46 0.19 0.52 115.31 123.81 3dmr h LEU 65 Ca 0.12 0.06 -0.24 0.00 -0.12 0.00 0.00 57.88 57.70 3dmr h LEU 65 Cb 0.73 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3dmr h LEU 65 CO 0.06 -0.04 -1.11 -0.33 -0.62 0.00 0.00 178.44 176.40 3dmr h GLU 66 N 0.04 0.17 -0.00 1.25 5.08 -1.27 -3.40 114.58 116.46 3dmr h GLU 66 Ca 0.11 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3dmr h GLU 66 Cb 0.15 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3dmr h GLU 66 CO -0.20 1.11 -0.04 1.63 -1.00 0.00 0.00 179.01 180.51 3dmr n LYS 67 N -3.49 4.33 0.00 2.33 5.02 0.04 -5.06 118.16 121.32 3dmr n LYS 67 Ca -0.05 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3dmr n LYS 67 Cb 0.96 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 3dmr n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dmr n GLY 68 N 0.74 3.49 0.05 0.72 0.00 0.17 -1.67 105.19 108.68 3dmr n GLY 68 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.05 3dmr n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dmr n VAL 69 N 0.00 0.90 0.88 1.61 0.24 -1.26 -1.60 118.33 119.10 3dmr n VAL 69 Ca 0.00 0.23 0.10 0.00 -2.04 0.00 0.00 64.34 62.63 3dmr n VAL 69 Cb 0.00 -1.03 0.29 0.00 -1.47 0.00 0.00 33.84 31.63 3dmr n VAL 69 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3dmr n ASN 70 N -1.76 2.22 -4.74 -1.34 3.02 -0.67 -4.96 115.26 107.03 3dmr n ASN 70 Ca 0.03 -1.84 -0.33 0.00 -0.03 0.00 0.00 54.58 52.41 3dmr n ASN 70 Cb 0.20 -0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.27 3dmr n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dmr s ALA 71 N -1.64 2.19 -0.23 5.41 0.00 -0.62 -4.96 121.76 121.91 3dmr s ALA 71 Ca 0.33 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3dmr s ALA 71 Cb 0.18 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3dmr s ALA 71 CO 0.26 -1.74 1.03 0.34 0.00 0.00 0.00 175.76 175.65 3dmr s ASP 72 N -2.47 7.08 0.00 0.00 2.15 -1.26 -4.91 116.67 117.26 3dmr s ASP 72 Ca 0.69 1.35 0.27 0.00 0.43 0.00 0.00 52.55 55.29 3dmr s ASP 72 Cb -0.24 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.63 3dmr s ASP 72 CO 0.46 -0.67 1.59 0.54 -0.17 0.00 0.00 175.17 176.92 3dmr n ARG 73 N 6.33 1.04 0.22 4.34 1.74 -1.26 -4.01 116.66 125.06 3dmr n ARG 73 Ca 0.12 -0.63 0.11 0.00 -0.77 0.00 0.00 57.85 56.68 3dmr n ARG 73 Cb 0.46 -1.49 0.34 0.00 -1.02 0.00 0.00 32.46 30.76 3dmr n ARG 73 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3dmr h SER 74 N 1.53 0.00 -0.02 0.55 4.64 -1.97 -3.11 113.55 115.17 3dmr h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dmr h SER 74 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3dmr h SER 74 CO 0.00 0.16 0.00 0.35 -0.87 0.00 0.00 176.83 176.47 3dmr n THR 75 N -3.21 0.02 -1.66 2.95 -2.24 -1.26 -4.37 114.28 104.52 3dmr n THR 75 Ca 0.02 -0.14 -0.48 0.00 -2.27 0.00 0.00 64.05 61.18 3dmr n THR 75 Cb 0.49 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 3dmr n THR 75 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dmr n ARG 76 N -0.34 1.95 0.00 -0.78 1.74 -1.18 -1.87 116.66 116.18 3dmr n ARG 76 Ca 0.20 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 3dmr n ARG 76 Cb 0.24 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 3dmr n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmr n GLY 77 N 3.48 0.41 0.04 -0.13 0.00 -1.11 -4.85 105.19 103.03 3dmr n GLY 77 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3dmr n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dmr n ASN 78 N 0.00 0.28 0.00 1.61 6.94 -0.78 -4.83 115.26 118.48 3dmr n ASN 78 Ca 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 54.58 55.09 3dmr n ASN 78 Cb 0.00 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 3dmr n ASN 78 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dmr n GLY 79 N 1.18 0.75 3.52 4.83 0.00 -1.26 -5.00 105.19 109.21 3dmr n GLY 79 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3dmr n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dmr s ASP 80 N -2.19 6.83 0.10 1.61 2.15 -1.26 -4.68 116.67 119.23 3dmr s ASP 80 Ca 0.00 -2.41 0.05 0.00 0.43 0.00 0.00 52.55 50.63 3dmr s ASP 80 Cb 0.00 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 3dmr s ASP 80 CO 0.00 -1.07 -0.00 -0.36 -0.17 0.00 0.00 175.17 173.57 3dmr s PHE 81 N 3.22 2.96 -0.13 -5.34 0.08 -1.26 -1.56 117.98 115.95 3dmr s PHE 81 Ca 0.46 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.46 3dmr s PHE 81 Cb -0.00 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 3dmr s PHE 81 CO -0.00 0.48 -0.14 0.08 -0.10 0.00 0.00 175.22 175.54 3dmr s VAL 82 N -1.37 2.95 0.02 -0.44 1.01 0.14 -4.80 120.40 117.90 3dmr s VAL 82 Ca 0.26 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3dmr s VAL 82 Cb -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3dmr s VAL 82 CO 0.18 0.52 0.98 -0.60 0.00 0.00 0.00 175.10 176.19 3dmr s ARG 83 N 0.43 4.58 0.30 2.72 3.52 -1.26 -0.13 118.95 129.11 3dmr s ARG 83 Ca -0.10 1.44 0.03 0.00 -0.13 0.00 0.00 55.73 56.97 3dmr s ARG 83 Cb -0.16 -3.44 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 3dmr s ARG 83 CO 0.05 -0.02 0.05 0.14 -0.81 0.00 0.00 175.30 174.72 3dmr s VAL 84 N 0.85 1.07 0.57 7.11 -7.23 -0.97 -4.94 120.40 116.85 3dmr s VAL 84 Ca 0.51 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 3dmr s VAL 84 Cb -0.22 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 3dmr s VAL 84 CO 0.28 -0.06 0.96 -0.94 -0.31 0.00 0.00 175.10 175.04 3dmr s SER 85 N -3.43 6.30 0.23 4.85 1.04 -1.26 -4.41 113.70 117.02 3dmr s SER 85 Ca 0.35 1.33 -0.08 0.00 0.48 0.00 0.00 55.95 58.03 3dmr s SER 85 Cb 0.08 -2.42 0.20 0.00 0.10 0.00 0.00 66.02 63.97 3dmr s SER 85 CO 0.14 -0.75 1.89 -0.50 0.98 0.00 0.00 173.24 175.00 3dmr h TRP 86 N 0.03 1.09 -0.83 5.02 4.06 -1.99 -2.20 115.95 121.13 3dmr h TRP 86 Ca -0.45 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.51 3dmr h TRP 86 Cb 1.19 -0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 28.95 3dmr h TRP 86 CO 0.64 0.70 0.48 -0.44 -3.56 0.00 0.00 178.44 176.26 3dmr h ASP 87 N 1.17 1.02 0.49 -3.49 3.32 -1.99 -0.44 116.42 116.50 3dmr h ASP 87 Ca 0.31 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3dmr h ASP 87 Cb -0.11 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.18 3dmr h ASP 87 CO -0.07 0.81 -0.26 1.56 -1.72 0.00 0.00 179.24 179.56 3dmr h GLN 88 N 1.15 -0.67 -0.87 3.56 4.20 -1.85 -2.32 115.11 118.31 3dmr h GLN 88 Ca 0.30 0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.10 3dmr h GLN 88 Cb -0.00 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 3dmr h GLN 88 CO -0.05 -0.45 0.55 0.00 -0.67 0.00 0.00 178.83 178.21 3dmr h ALA 89 N -0.20 1.17 -0.40 3.87 0.00 -1.17 -1.39 119.26 121.13 3dmr h ALA 89 Ca -0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3dmr h ALA 89 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dmr h ALA 89 CO 0.09 0.34 -0.07 -0.07 0.00 0.00 0.00 179.25 179.55 3dmr h LEU 90 N 1.03 0.75 -0.49 0.00 3.38 -1.06 -0.66 115.31 118.25 3dmr h LEU 90 Ca 0.36 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dmr h LEU 90 Cb 0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3dmr h LEU 90 CO -0.15 0.92 0.27 0.44 0.09 0.00 0.00 178.44 180.01 3dmr h ASP 91 N 0.56 0.41 0.04 -0.43 3.32 -1.10 -0.06 116.42 119.15 3dmr h ASP 91 Ca 0.10 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dmr h ASP 91 Cb 0.58 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3dmr h ASP 91 CO 0.03 0.28 -0.02 0.25 -1.72 0.00 0.00 179.24 178.07 3dmr h LEU 92 N 0.53 -0.05 -0.30 1.55 5.85 -1.08 0.08 115.31 121.89 3dmr h LEU 92 Ca 0.21 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3dmr h LEU 92 Cb 0.08 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3dmr h LEU 92 CO -0.13 0.10 0.11 0.58 -0.34 0.00 0.00 178.44 178.76 3dmr h VAL 93 N -0.20 0.92 -0.48 1.05 2.07 -0.94 -0.64 116.25 118.03 3dmr h VAL 93 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3dmr h VAL 93 Cb 0.18 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3dmr h VAL 93 CO 0.01 0.04 0.22 0.00 0.02 0.00 0.00 177.57 177.87 3dmr h ALA 94 N 1.19 0.62 -0.46 1.67 0.00 -0.95 -1.49 119.26 119.84 3dmr h ALA 94 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dmr h ALA 94 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3dmr h ALA 94 CO -0.14 0.19 0.22 0.00 0.00 0.00 0.00 179.25 179.52 3dmr h ALA 95 N 1.06 0.58 -0.53 0.00 0.00 -0.52 -1.55 119.26 118.31 3dmr h ALA 95 Ca 0.16 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3dmr h ALA 95 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dmr h ALA 95 CO -0.02 -0.14 -0.01 0.93 0.00 0.00 0.00 179.25 180.02 3dmr h GLU 96 N 0.44 0.93 -0.33 0.00 4.39 -0.98 0.10 114.58 119.13 3dmr h GLU 96 Ca 0.20 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3dmr h GLU 96 Cb 0.12 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3dmr h GLU 96 CO -0.15 0.95 0.18 0.28 -1.16 0.00 0.00 179.01 179.11 3dmr h VAL 97 N 0.81 1.14 -0.74 3.13 2.07 -1.12 -1.17 116.25 120.38 3dmr h VAL 97 Ca 0.15 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3dmr h VAL 97 Cb 0.54 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3dmr h VAL 97 CO 0.03 0.15 0.21 0.50 0.02 0.00 0.00 177.57 178.48 3dmr h LYS 98 N 0.41 1.16 -0.35 1.57 1.63 -1.16 -1.53 116.57 118.31 3dmr h LYS 98 Ca 0.12 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 3dmr h LYS 98 Cb 0.08 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 3dmr h LYS 98 CO -0.02 0.99 0.09 -0.09 -3.45 0.00 0.00 179.45 176.98 3dmr h ARG 99 N 1.11 0.55 -0.47 1.90 2.43 -0.58 -1.38 114.38 117.94 3dmr h ARG 99 Ca 0.24 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3dmr h ARG 99 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3dmr h ARG 99 CO -0.00 0.60 -0.03 0.28 -1.51 0.00 0.00 179.97 179.30 3dmr h VAL 100 N 0.41 1.27 -0.67 0.20 2.07 -1.07 -0.79 116.25 117.67 3dmr h VAL 100 Ca 0.11 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3dmr h VAL 100 Cb 0.29 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3dmr h VAL 100 CO 0.00 0.39 0.34 -0.33 0.02 0.00 0.00 177.57 177.98 3dmr h GLU 101 N 0.69 0.95 -0.11 1.57 4.39 -1.22 0.99 114.58 121.85 3dmr h GLU 101 Ca 0.13 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3dmr h GLU 101 Cb 0.55 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3dmr h GLU 101 CO 0.03 0.74 -0.35 0.93 -1.16 0.00 0.00 179.01 179.21 3dmr h GLU 102 N 0.93 0.43 -0.05 2.33 4.39 -1.13 -0.50 114.58 120.98 3dmr h GLU 102 Ca 0.23 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3dmr h GLU 102 Cb 0.09 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3dmr h GLU 102 CO -0.03 0.94 -0.06 1.15 -1.16 0.00 0.00 179.01 179.85 3dmr h THR 103 N 0.00 1.40 0.00 1.13 2.02 -1.11 -3.38 112.91 112.96 3dmr h THR 103 Ca -0.01 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.90 3dmr h THR 103 Cb 0.97 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 3dmr h THR 103 CO 0.07 0.35 -1.10 -1.22 0.37 0.00 0.00 175.52 173.98 3dmr n TYR 104 N -4.74 0.00 -0.76 3.16 4.01 0.33 -5.08 117.16 114.08 3dmr n TYR 104 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3dmr n TYR 104 Cb 0.30 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3dmr n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dmr n GLY 105 N 1.48 -2.73 0.28 2.72 0.00 -0.19 -4.23 105.19 102.52 3dmr n GLY 105 Ca 0.00 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.43 3dmr n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dmr h PRO 106 N 0.00 0.00 0.00 1.61 0.13 -1.80 -2.10 132.00 129.84 3dmr h PRO 106 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3dmr h PRO 106 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3dmr h PRO 106 CO 0.00 0.05 0.00 0.93 -0.23 0.00 0.00 178.00 178.75 3dmr h GLU 107 N 0.00 0.00 0.00 0.86 3.07 -1.87 -2.65 114.58 113.99 3dmr h GLU 107 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dmr h GLU 107 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3dmr h GLU 107 CO 0.01 0.00 -0.08 0.41 -1.40 0.00 0.00 179.01 177.95 3dmr n GLY 108 N -0.05 -1.53 3.29 -3.84 0.00 -0.79 -3.67 105.19 98.60 3dmr n GLY 108 Ca 0.02 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3dmr n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmr s VAL 109 N -3.04 3.37 -0.30 1.61 1.01 -1.00 -0.00 120.40 122.05 3dmr s VAL 109 Ca 0.12 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 3dmr s VAL 109 Cb 0.17 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3dmr s VAL 109 CO 0.57 0.29 0.57 0.12 0.00 0.00 0.00 175.10 176.65 3dmr s PHE 110 N 1.44 3.22 -0.15 5.22 5.36 -0.23 0.41 117.98 133.26 3dmr s PHE 110 Ca 0.04 0.49 0.18 0.00 -0.96 0.00 0.00 56.93 56.68 3dmr s PHE 110 Cb -0.15 -2.90 0.36 0.00 -0.34 0.00 0.00 43.02 39.99 3dmr s PHE 110 CO -0.02 -0.44 1.23 0.41 -1.46 0.00 0.00 175.22 174.94 3dmr n GLY 111 N 4.52 4.68 0.21 13.12 0.00 0.15 -2.74 105.19 125.13 3dmr n GLY 111 Ca -0.03 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 3dmr n GLY 111 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dmr h GLY 112 N 0.53 0.69 -7.01 -0.02 0.00 -1.84 -3.46 103.07 91.97 3dmr h GLY 112 Ca 0.00 -0.24 -0.60 0.00 0.00 0.00 0.00 47.33 46.50 3dmr h GLY 112 CO 0.07 0.23 -0.96 -1.26 0.00 0.00 0.00 176.54 174.62 3dmr n SER 113 N -4.77 -0.89 -4.71 0.19 2.88 -1.26 -4.73 113.62 100.33 3dmr n SER 113 Ca 0.03 -1.25 -0.43 0.00 -1.33 0.00 0.00 58.87 55.88 3dmr n SER 113 Cb 0.04 -1.53 -0.02 0.00 -0.75 0.00 0.00 64.21 61.95 3dmr n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dmr n TYR 114 N -4.66 2.44 0.00 0.66 9.36 -1.26 -4.71 117.16 118.99 3dmr n TYR 114 Ca -0.24 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.39 3dmr n TYR 114 Cb 0.63 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 3dmr n TYR 114 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dmr n GLY 115 N 1.72 1.96 0.03 2.98 0.00 -1.26 -4.11 105.19 106.51 3dmr n GLY 115 Ca 0.08 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.73 3dmr n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dmr n TRP 116 N -0.43 0.00 0.00 1.61 7.02 -1.08 -4.84 117.44 119.72 3dmr n TRP 116 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3dmr n TRP 116 Cb 0.00 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 28.55 3dmr n TRP 116 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 3dmr n LYS 117 N -1.32 0.00 -4.07 -0.99 2.85 -0.55 -4.73 118.16 109.36 3dmr n LYS 117 Ca 0.10 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.27 3dmr n LYS 117 Cb 0.30 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.57 3dmr n LYS 117 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3dmr s SER 118 N -2.03 0.66 0.98 -5.58 0.01 -1.26 -5.04 113.70 101.44 3dmr s SER 118 Ca 0.00 -0.77 -0.12 0.00 1.31 0.00 0.00 55.95 56.37 3dmr s SER 118 Cb 0.00 0.11 0.18 0.00 0.21 0.00 0.00 66.02 66.52 3dmr s SER 118 CO 0.00 -0.40 1.08 -2.16 0.41 0.00 0.00 173.24 172.17 3dmr s PRO 119 N -2.75 0.56 0.00 12.44 0.04 -1.26 -4.84 135.00 139.19 3dmr s PRO 119 Ca -0.02 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.81 3dmr s PRO 119 Cb -0.01 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3dmr s PRO 119 CO -0.04 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.70 3dmr n GLY 120 N -0.65 4.15 0.15 0.56 0.00 -1.26 -4.91 105.19 103.24 3dmr n GLY 120 Ca 0.06 -1.08 0.07 0.00 0.00 0.00 0.00 46.02 45.07 3dmr n GLY 120 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dmr h ARG 121 N 0.00 0.00 0.00 1.61 2.47 -1.50 -3.37 114.38 113.60 3dmr h ARG 121 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 3dmr h ARG 121 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3dmr h ARG 121 CO 0.00 0.18 -0.94 -0.11 0.56 0.00 0.00 179.97 179.66 3dmr n LEU 122 N -2.99 1.86 -3.46 3.04 7.94 -1.26 -2.00 117.00 120.12 3dmr n LEU 122 Ca 0.00 0.51 -0.40 0.00 -1.11 0.00 0.00 56.01 55.01 3dmr n LEU 122 Cb 0.64 -0.86 -0.01 0.00 0.53 0.00 0.00 43.42 43.71 3dmr n LEU 122 CO 0.39 -0.19 2.83 1.41 -1.11 0.00 0.00 177.39 180.72 3dmr n HIS 123 N -4.52 2.63 -3.32 1.96 8.25 -1.26 -4.80 115.22 114.16 3dmr n HIS 123 Ca -0.18 -2.95 -0.47 0.00 -0.26 0.00 0.00 57.72 53.86 3dmr n HIS 123 Cb 0.46 -2.19 -0.02 0.00 1.12 0.00 0.00 29.99 29.35 3dmr n HIS 123 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3dmr s ASN 124 N 1.43 6.75 0.24 0.41 3.84 -1.26 -4.76 114.94 121.59 3dmr s ASN 124 Ca 0.59 -2.65 -0.06 0.00 0.21 0.00 0.00 52.86 50.95 3dmr s ASN 124 Cb 0.17 -2.21 0.33 0.00 -0.55 0.00 0.00 41.25 38.99 3dmr s ASN 124 CO -0.07 -0.59 1.84 0.00 -2.79 0.00 0.00 177.10 175.49 3dmr h THR 126 N 0.91 1.26 -0.22 0.00 1.35 -1.91 0.08 112.91 114.37 3dmr h THR 126 Ca 0.37 -1.14 -0.17 0.00 -0.55 0.00 0.00 66.41 64.92 3dmr h THR 126 Cb 0.20 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3dmr h THR 126 CO -0.18 0.40 -0.55 0.74 -0.25 0.00 0.00 175.52 175.68 3dmr h THR 127 N 0.87 1.30 -0.88 6.82 2.02 -1.90 -2.37 112.91 118.78 3dmr h THR 127 Ca 0.15 -1.78 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 3dmr h THR 127 Cb 0.55 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 3dmr h THR 127 CO 0.03 0.56 0.47 -0.07 0.37 0.00 0.00 175.52 176.89 3dmr h LEU 128 N 0.52 1.11 -0.64 2.58 3.38 -0.85 0.17 115.31 121.58 3dmr h LEU 128 Ca 0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3dmr h LEU 128 Cb 1.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3dmr h LEU 128 CO 0.11 0.90 0.24 0.25 0.09 0.00 0.00 178.44 180.03 3dmr h LEU 129 N 1.24 0.91 -0.88 1.67 5.85 -0.88 -1.80 115.31 121.41 3dmr h LEU 129 Ca 0.31 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 3dmr h LEU 129 Cb 0.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3dmr h LEU 129 CO -0.05 0.85 -0.52 0.03 -0.34 0.00 0.00 178.44 178.41 3dmr h ARG 130 N 0.91 0.11 -0.29 1.25 3.08 -0.82 -1.48 114.38 117.15 3dmr h ARG 130 Ca 0.21 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3dmr h ARG 130 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3dmr h ARG 130 CO -0.01 0.60 0.16 -0.09 -1.07 0.00 0.00 179.97 179.55 3dmr h ARG 131 N 0.09 0.32 -0.19 0.04 2.43 -0.35 -0.39 114.38 116.32 3dmr h ARG 131 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3dmr h ARG 131 Cb 0.94 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3dmr h ARG 131 CO 0.07 0.21 -0.05 1.98 -1.51 0.00 0.00 179.97 180.67 3dmr h MET 132 N 0.32 0.37 -0.47 0.20 4.05 -1.15 -3.15 114.93 115.10 3dmr h MET 132 Ca 0.12 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3dmr h MET 132 Cb 0.02 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3dmr h MET 132 CO -0.07 0.63 0.26 -0.07 0.23 0.00 0.00 176.91 177.90 3dmr h LEU 133 N 0.09 0.57 -0.48 3.39 3.38 -1.13 -1.06 115.31 120.06 3dmr h LEU 133 Ca 0.05 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3dmr h LEU 133 Cb 0.50 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3dmr h LEU 133 CO 0.02 0.46 0.24 0.74 0.09 0.00 0.00 178.44 179.99 3dmr h THR 134 N 0.66 0.95 0.00 0.22 2.02 -1.06 -1.83 112.91 113.87 3dmr h THR 134 Ca 0.17 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 3dmr h THR 134 Cb 0.01 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3dmr h THR 134 CO -0.03 0.09 -0.28 -0.07 0.37 0.00 0.00 175.52 175.60 3dmr h LEU 135 N 0.47 0.00 0.00 2.58 3.38 -1.19 -2.79 115.31 117.77 3dmr h LEU 135 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dmr h LEU 135 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3dmr h LEU 135 CO -0.15 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3dmr n ALA 136 N -2.35 2.42 0.00 1.53 0.00 -0.75 -4.90 120.51 116.47 3dmr n ALA 136 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3dmr n ALA 136 Cb 0.38 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3dmr n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmr n GLY 137 N 1.32 1.29 0.00 0.00 0.00 -1.05 -4.90 105.19 101.85 3dmr n GLY 137 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dmr n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmr n GLY 138 N 0.00 2.32 3.66 -0.02 0.00 -0.83 -4.54 105.19 105.79 3dmr n GLY 138 Ca 0.00 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 3dmr n GLY 138 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dmr s TYR 139 N -1.74 -0.26 -0.11 1.61 1.13 -1.26 -4.73 117.35 111.99 3dmr s TYR 139 Ca 0.00 -0.01 -0.12 0.00 -1.41 0.00 0.00 57.07 55.52 3dmr s TYR 139 Cb 0.00 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.43 3dmr s TYR 139 CO 0.00 -0.84 0.28 0.08 -2.51 0.00 0.00 175.55 172.56 3dmr s VAL 140 N -3.44 5.29 0.49 -3.49 1.01 0.17 -4.88 120.40 115.54 3dmr s VAL 140 Ca 0.08 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.65 3dmr s VAL 140 Cb -0.02 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3dmr s VAL 140 CO -0.02 0.49 0.27 0.21 0.00 0.00 0.00 175.10 176.04 3dmr s ASN 141 N -0.23 4.50 0.15 3.32 3.84 -0.67 0.31 114.94 126.16 3dmr s ASN 141 Ca 0.18 -1.25 0.08 0.00 0.21 0.00 0.00 52.86 52.07 3dmr s ASN 141 Cb -0.14 0.13 -0.04 0.00 -0.55 0.00 0.00 41.25 40.66 3dmr s ASN 141 CO 0.06 -0.88 -0.07 -0.83 -2.79 0.00 0.00 177.10 172.59 3dmr s GLY 142 N -4.09 1.75 0.13 1.21 0.00 -1.26 -2.45 107.32 102.62 3dmr s GLY 142 Ca 0.31 -1.36 0.10 0.00 0.00 0.00 0.00 44.72 43.77 3dmr s GLY 142 CO 0.18 -1.36 -0.23 0.00 0.00 0.00 0.00 173.10 171.69 3dmr s ALA 143 N -1.54 2.11 0.00 3.20 0.00 -0.42 -4.87 121.76 120.24 3dmr s ALA 143 Ca 0.24 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3dmr s ALA 143 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3dmr s ALA 143 CO 0.16 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.73 3dmr n GLY 144 N 0.78 -0.54 3.45 0.00 0.00 -1.26 -1.70 105.19 105.91 3dmr n GLY 144 Ca -0.17 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 3dmr n GLY 144 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dmr n ASP 145 N -1.47 -1.48 -0.44 1.61 5.68 -1.26 -4.76 116.55 114.42 3dmr n ASP 145 Ca 0.00 -2.88 0.13 0.00 -0.50 0.00 0.00 54.79 51.54 3dmr n ASP 145 Cb 0.00 2.72 0.41 0.00 -1.14 0.00 0.00 41.12 43.11 3dmr n ASP 145 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3dmr n TYR 146 N -0.58 0.00 -0.08 2.11 4.02 -1.26 -3.36 117.16 118.02 3dmr n TYR 146 Ca -0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.66 3dmr n TYR 146 Cb 0.59 -0.04 -0.12 0.00 -0.02 0.00 0.00 39.34 39.75 3dmr n TYR 146 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3dmr n SER 147 N -0.02 1.96 -2.13 7.72 7.64 -1.26 -4.61 113.62 122.92 3dmr n SER 147 Ca 0.16 0.33 -0.08 0.00 1.01 0.00 0.00 58.87 60.28 3dmr n SER 147 Cb 0.38 -0.90 0.05 0.00 -1.01 0.00 0.00 64.21 62.73 3dmr n SER 147 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dmr n THR 148 N -4.08 1.72 -0.30 0.44 -2.24 -1.26 -4.86 114.28 103.70 3dmr n THR 148 Ca -0.35 -3.25 0.12 0.00 -2.27 0.00 0.00 64.05 58.30 3dmr n THR 148 Cb 0.83 0.16 0.29 0.00 -2.10 0.00 0.00 70.33 69.50 3dmr n THR 148 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dmr h GLY 149 N 2.09 1.44 0.46 3.38 0.00 -1.81 -0.28 103.07 108.37 3dmr h GLY 149 Ca 0.06 -0.12 -0.27 0.00 0.00 0.00 0.00 47.33 47.00 3dmr h GLY 149 CO 0.38 -0.29 -1.43 0.00 0.00 0.00 0.00 176.54 175.20 3dmr h ALA 150 N 1.72 0.22 -0.41 3.60 0.00 -1.90 -3.40 119.26 119.09 3dmr h ALA 150 Ca 0.54 -1.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 3dmr h ALA 150 Cb 1.04 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3dmr h ALA 150 CO -0.56 0.85 0.11 0.00 0.00 0.00 0.00 179.25 179.66 3dmr h ALA 151 N -0.10 1.43 0.00 0.00 0.00 -1.79 -2.52 119.26 116.29 3dmr h ALA 151 Ca -0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dmr h ALA 151 Cb 1.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3dmr h ALA 151 CO 0.02 0.42 0.00 -0.56 0.00 0.00 0.00 179.25 179.13 3dmr h GLN 152 N 0.59 0.00 0.01 0.00 3.07 -1.26 -1.92 115.11 115.59 3dmr h GLN 152 Ca 0.14 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.52 3dmr h GLN 152 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.71 3dmr h GLN 152 CO -0.01 0.00 -2.25 0.28 0.09 0.00 0.00 178.83 176.95 3dmr n VAL 153 N -2.64 1.50 0.07 1.86 0.31 -1.10 -4.46 118.33 113.87 3dmr n VAL 153 Ca 0.02 -0.75 -0.18 0.00 -0.01 0.00 0.00 64.34 63.42 3dmr n VAL 153 Cb 0.29 -0.97 -0.10 0.00 -0.91 0.00 0.00 33.84 32.16 3dmr n VAL 153 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3dmr h ILE 154 N 0.01 1.34 -0.55 2.52 6.09 -1.37 -3.36 117.51 122.18 3dmr h ILE 154 Ca -0.50 -2.45 0.08 0.00 -1.37 0.00 0.00 64.86 60.63 3dmr h ILE 154 Cb 2.09 2.54 -0.07 0.00 0.47 0.00 0.00 36.82 41.86 3dmr h ILE 154 CO 0.01 0.74 0.18 0.24 -3.07 0.00 0.00 178.15 176.26 3dmr h MET 155 N 0.28 0.34 -0.04 2.19 2.86 -1.57 -1.62 114.93 117.37 3dmr h MET 155 Ca -0.13 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3dmr h MET 155 Cb 1.76 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.34 3dmr h MET 155 CO 0.20 0.22 0.04 -1.35 1.06 0.00 0.00 176.91 177.09 3dmr h PRO 156 N 0.35 0.00 0.00 -0.22 0.11 -1.61 0.40 132.00 131.03 3dmr h PRO 156 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3dmr h PRO 156 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3dmr h PRO 156 CO -0.29 0.00 -0.24 0.45 -0.21 0.00 0.00 178.00 177.70 3dmr h HIS 157 N 0.00 0.00 0.00 0.65 3.86 -1.48 -3.04 115.15 115.15 3dmr h HIS 157 Ca 0.02 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 3dmr h HIS 157 Cb 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3dmr h HIS 157 CO 0.00 0.00 -1.21 0.28 0.86 0.00 0.00 177.93 177.86 3dmr n VAL 158 N -2.67 1.39 0.75 2.45 0.31 0.66 -4.69 118.33 116.52 3dmr n VAL 158 Ca 0.04 0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.50 3dmr n VAL 158 Cb 0.49 -2.10 -0.04 0.00 -0.91 0.00 0.00 33.84 31.28 3dmr n VAL 158 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3dmr n VAL 159 N -4.21 0.00 0.00 2.52 0.24 0.11 -1.85 118.33 115.14 3dmr n VAL 159 Ca -0.20 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3dmr n VAL 159 Cb 0.53 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 3dmr n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dmr n GLY 160 N 1.27 2.70 2.93 7.63 0.00 -1.15 -4.24 105.19 114.34 3dmr n GLY 160 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3dmr n GLY 160 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dmr n THR 161 N -0.64 0.00 -0.28 2.61 -2.24 -1.26 -4.55 114.28 107.92 3dmr n THR 161 Ca 0.00 -2.12 -0.04 0.00 -2.27 0.00 0.00 64.05 59.62 3dmr n THR 161 Cb 0.00 0.84 0.08 0.00 -2.10 0.00 0.00 70.33 69.15 3dmr n THR 161 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dmr h LEU 162 N 0.00 0.86 0.00 3.22 5.85 -1.90 -2.60 115.31 120.74 3dmr h LEU 162 Ca -0.26 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3dmr h LEU 162 Cb 1.07 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3dmr h LEU 162 CO 0.41 0.62 0.00 1.21 -0.34 0.00 0.00 178.44 180.33 3dmr n GLU 163 N -4.57 0.00 0.16 1.25 4.07 -1.26 -4.58 120.64 115.72 3dmr n GLU 163 Ca 0.08 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.20 3dmr n GLU 163 Cb 0.04 -0.16 0.25 0.00 -0.06 0.00 0.00 31.44 31.51 3dmr n GLU 163 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 3dmr h VAL 164 N 0.00 1.21 -0.91 6.31 -1.51 -1.89 -3.25 116.25 116.20 3dmr h VAL 164 Ca 0.00 -1.82 -0.59 0.00 -1.23 0.00 0.00 66.70 63.06 3dmr h VAL 164 Cb 0.00 2.03 -0.39 0.00 -2.13 0.00 0.00 31.29 30.79 3dmr h VAL 164 CO 0.00 0.50 -0.38 -1.22 -1.23 0.00 0.00 177.57 175.24 3dmr n TYR 165 N -3.72 2.93 -4.33 5.19 4.01 -1.26 -4.44 117.16 115.53 3dmr n TYR 165 Ca -0.01 -2.48 -0.24 0.00 -0.16 0.00 0.00 57.90 55.00 3dmr n TYR 165 Cb 0.56 -0.59 -0.12 0.00 -0.31 0.00 0.00 39.34 38.88 3dmr n TYR 165 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3dmr s GLU 166 N -3.66 1.26 0.35 -0.72 2.02 -1.23 -5.11 118.70 111.62 3dmr s GLU 166 Ca 0.54 -1.32 -0.28 0.00 0.02 0.00 0.00 54.97 53.93 3dmr s GLU 166 Cb 0.43 -1.49 -0.11 0.00 0.10 0.00 0.00 34.13 33.06 3dmr s GLU 166 CO -0.01 0.33 1.46 -1.14 0.02 0.00 0.00 175.26 175.93 3dmr s GLN 167 N -2.33 4.16 0.39 1.61 2.00 -1.26 -4.81 119.66 119.43 3dmr s GLN 167 Ca 0.12 2.50 0.04 0.00 -2.00 0.00 0.00 55.36 56.02 3dmr s GLN 167 Cb -0.08 -3.00 -0.00 0.00 0.80 0.00 0.00 33.01 30.72 3dmr s GLN 167 CO 0.06 -0.47 0.57 -0.65 -0.50 0.00 0.00 175.29 174.29 3dmr s GLN 168 N -1.81 3.07 0.18 1.67 -1.52 -1.26 -4.86 119.66 115.13 3dmr s GLN 168 Ca 0.53 -0.78 -0.33 0.00 -1.95 0.00 0.00 55.36 52.83 3dmr s GLN 168 Cb -0.45 -2.70 -0.14 0.00 -0.22 0.00 0.00 33.01 29.50 3dmr s GLN 168 CO 0.59 -0.11 1.56 2.41 -0.25 0.00 0.00 175.29 179.49 3dmr n THR 169 N -1.85 0.18 -1.61 -0.19 -1.04 -1.26 -4.44 114.28 104.06 3dmr n THR 169 Ca 0.01 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 3dmr n THR 169 Cb 0.58 -1.58 0.02 0.00 -1.82 0.00 0.00 70.33 67.53 3dmr n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dmr n ALA 170 N 3.18 0.24 -0.14 2.41 0.00 -0.65 -4.67 120.51 120.89 3dmr n ALA 170 Ca 0.16 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 3dmr n ALA 170 Cb 0.30 -2.10 0.04 0.00 0.00 0.00 0.00 19.45 17.69 3dmr n ALA 170 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3dmr h TRP 171 N 1.29 -0.02 -0.93 0.00 4.06 -1.47 -1.25 115.95 117.63 3dmr h TRP 171 Ca -0.46 0.03 0.08 0.00 2.06 0.00 0.00 58.89 60.60 3dmr h TRP 171 Cb 1.34 0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 29.51 3dmr h TRP 171 CO 0.42 -0.09 0.60 -1.00 -3.56 0.00 0.00 178.44 174.81 3dmr h PRO 172 N 0.11 0.98 -0.81 0.49 0.13 -1.85 -1.04 132.00 130.02 3dmr h PRO 172 Ca 0.22 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 3dmr h PRO 172 Cb 0.32 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.19 3dmr h PRO 172 CO -0.36 0.65 0.53 0.28 -0.23 0.00 0.00 178.00 178.86 3dmr h VAL 173 N 1.01 1.19 -0.76 1.56 2.07 -1.45 -1.91 116.25 117.96 3dmr h VAL 173 Ca 0.41 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3dmr h VAL 173 Cb 0.29 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 3dmr h VAL 173 CO -0.17 0.20 0.45 -0.07 0.02 0.00 0.00 177.57 177.99 3dmr h LEU 174 N 1.08 0.92 -0.93 2.57 3.38 -0.92 -1.94 115.31 119.46 3dmr h LEU 174 Ca 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3dmr h LEU 174 Cb -0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 3dmr h LEU 174 CO -0.07 0.72 0.53 0.00 0.09 0.00 0.00 178.44 179.71 3dmr h ALA 175 N 1.23 1.19 0.00 1.53 0.00 -0.45 -0.42 119.26 122.34 3dmr h ALA 175 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dmr h ALA 175 Cb -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.40 3dmr h ALA 175 CO -0.05 0.67 -0.63 0.93 0.00 0.00 0.00 179.25 180.17 3dmr h GLU 176 N 1.29 0.00 0.00 0.00 4.39 -1.40 -3.42 114.58 115.44 3dmr h GLU 176 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3dmr h GLU 176 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3dmr h GLU 176 CO -0.06 0.00 -0.91 0.09 -1.16 0.00 0.00 179.01 176.97 3dmr n ASN 177 N -2.24 4.52 -4.75 1.42 3.02 -0.74 -5.06 115.26 111.43 3dmr n ASN 177 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 3dmr n ASN 177 Cb 0.46 0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 3dmr n ASN 177 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dmr s THR 178 N -1.91 3.34 -0.14 3.41 2.01 -0.19 -4.83 115.64 117.34 3dmr s THR 178 Ca 0.00 1.21 0.04 0.00 0.31 0.00 0.00 61.69 63.25 3dmr s THR 178 Cb 0.00 -3.77 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 3dmr s THR 178 CO 0.00 0.24 -0.09 -0.62 -0.69 0.00 0.00 174.62 173.46 3dmr n GLU 179 N 1.85 0.83 -4.17 4.92 1.02 -0.27 -4.91 120.64 119.91 3dmr n GLU 179 Ca 0.02 0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 3dmr n GLU 179 Cb 0.44 -1.29 -0.17 0.00 -0.02 0.00 0.00 31.44 30.40 3dmr n GLU 179 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dmr s VAL 180 N -2.29 1.34 -0.23 2.62 1.01 -0.51 -2.20 120.40 120.13 3dmr s VAL 180 Ca -0.16 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3dmr s VAL 180 Cb 0.05 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.17 3dmr s VAL 180 CO 0.37 0.42 -0.06 -0.32 0.00 0.00 0.00 175.10 175.50 3dmr s MET 181 N 1.33 3.08 -0.18 2.72 1.75 0.04 -1.81 119.30 126.22 3dmr s MET 181 Ca -0.00 -0.82 -0.04 0.00 -1.25 0.00 0.00 55.69 53.58 3dmr s MET 181 Cb -0.14 -2.96 -0.02 0.00 2.84 0.00 0.00 34.83 34.55 3dmr s MET 181 CO -0.06 -0.30 -0.03 0.08 -0.65 0.00 0.00 175.02 174.06 3dmr s VAL 182 N 1.39 3.73 -0.50 10.11 1.01 -0.64 -0.43 120.40 135.07 3dmr s VAL 182 Ca 0.03 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 3dmr s VAL 182 Cb -0.15 -2.66 0.12 0.00 0.00 0.00 0.00 36.38 33.68 3dmr s VAL 182 CO -0.05 0.46 0.43 -0.36 0.00 0.00 0.00 175.10 175.58 3dmr s PHE 183 N 0.81 3.30 -0.52 5.22 0.08 0.13 -0.88 117.98 126.12 3dmr s PHE 183 Ca -0.01 -1.41 -0.17 0.00 0.12 0.00 0.00 56.93 55.46 3dmr s PHE 183 Cb -0.14 -3.58 0.10 0.00 -0.57 0.00 0.00 43.02 38.82 3dmr s PHE 183 CO 0.02 -0.97 0.51 -0.46 -0.10 0.00 0.00 175.22 174.22 3dmr s TRP 184 N 1.53 3.18 -1.03 0.36 -0.11 0.24 -1.34 118.94 121.77 3dmr s TRP 184 Ca 0.04 -1.02 -0.06 0.00 1.22 0.00 0.00 56.10 56.28 3dmr s TRP 184 Cb -0.28 -3.58 0.01 0.00 -1.50 0.00 0.00 33.47 28.12 3dmr s TRP 184 CO 0.02 -0.99 0.86 0.00 -4.62 0.00 0.00 176.95 172.22 3dmr n ALA 185 N 5.52 -0.96 -3.41 5.86 0.00 -0.39 -0.77 120.51 126.36 3dmr n ALA 185 Ca -0.12 0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 3dmr n ALA 185 Cb 0.42 -4.18 -0.15 0.00 0.00 0.00 0.00 19.45 15.54 3dmr n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmr s ALA 186 N -3.22 0.20 -0.63 0.00 0.00 -1.26 -2.74 121.76 114.12 3dmr s ALA 186 Ca 0.42 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.55 3dmr s ALA 186 Cb -0.19 -0.20 0.19 0.00 0.00 0.00 0.00 23.12 22.92 3dmr s ALA 186 CO 0.52 -0.04 0.52 -3.47 0.00 0.00 0.00 175.76 173.30 3dmr n ASP 187 N 3.74 2.41 -0.18 0.00 2.03 -1.26 -4.91 116.55 118.38 3dmr n ASP 187 Ca -0.22 -3.09 0.07 0.00 0.52 0.00 0.00 54.79 52.07 3dmr n ASP 187 Cb 0.54 -0.70 0.36 0.00 -0.72 0.00 0.00 41.12 40.59 3dmr n ASP 187 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3dmr h PRO 188 N 5.11 0.73 -0.76 -0.67 0.13 -1.91 -1.70 132.00 132.93 3dmr h PRO 188 Ca 0.18 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3dmr h PRO 188 Cb 0.77 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 3dmr h PRO 188 CO 0.67 0.48 0.43 0.82 -0.23 0.00 0.00 178.00 180.17 3dmr h ILE 189 N 0.75 1.22 0.02 -3.56 2.04 -1.94 -1.34 117.51 114.70 3dmr h ILE 189 Ca 0.32 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3dmr h ILE 189 Cb 0.28 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3dmr h ILE 189 CO -0.11 0.24 -0.01 0.50 0.00 0.00 0.00 178.15 178.78 3dmr h LYS 190 N 1.04 -0.02 0.00 2.37 3.64 -1.88 -3.37 116.57 118.35 3dmr h LYS 190 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3dmr h LYS 190 Cb 0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3dmr h LYS 190 CO -0.05 0.71 0.00 0.25 -2.27 0.00 0.00 179.45 178.09 3dmr n THR 191 N -4.73 0.13 1.74 1.00 -2.24 -0.68 -3.65 114.28 105.86 3dmr n THR 191 Ca -0.09 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 3dmr n THR 191 Cb 0.36 -0.55 0.59 0.00 -2.10 0.00 0.00 70.33 68.63 3dmr n THR 191 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3dmr n SER 192 N -1.57 0.61 0.24 3.42 7.64 -0.51 -4.06 113.62 119.39 3dmr n SER 192 Ca 0.07 -1.42 0.11 0.00 1.01 0.00 0.00 58.87 58.64 3dmr n SER 192 Cb 0.33 -0.03 0.56 0.00 -1.01 0.00 0.00 64.21 64.07 3dmr n SER 192 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3dmr h GLN 193 N 0.86 0.00 -5.70 1.43 4.20 -1.79 -3.44 115.11 110.68 3dmr h GLN 193 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 3dmr h GLN 193 Cb 0.19 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.83 3dmr h GLN 193 CO 0.00 0.20 -0.64 0.96 -0.67 0.00 0.00 178.83 178.68 3dmr s ILE 194 N -3.88 1.97 0.06 2.54 -5.25 -1.26 -4.63 121.20 110.75 3dmr s ILE 194 Ca -0.01 -2.08 -0.00 0.00 -0.99 0.00 0.00 60.65 57.56 3dmr s ILE 194 Cb 0.12 -2.80 -0.04 0.00 2.95 0.00 0.00 42.46 42.68 3dmr s ILE 194 CO 0.62 -0.10 -0.04 -0.83 -1.79 0.00 0.00 174.94 172.80 3dmr s GLY 195 N -3.63 0.56 0.04 6.27 0.00 -0.53 -4.22 107.32 105.81 3dmr s GLY 195 Ca 0.34 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.61 3dmr s GLY 195 CO 0.17 -1.36 1.32 -0.25 0.00 0.00 0.00 173.10 172.98 3dmr h TRP 196 N 3.10 0.50 -5.38 1.90 2.91 -1.93 -3.43 115.95 113.62 3dmr h TRP 196 Ca -0.34 -0.16 -0.29 0.00 1.13 0.00 0.00 58.89 59.22 3dmr h TRP 196 Cb 1.15 -0.10 0.01 0.00 -0.51 0.00 0.00 29.16 29.70 3dmr h TRP 196 CO 0.55 0.83 -0.07 1.33 -1.03 0.00 0.00 178.44 180.05 3dmr n VAL 197 N -4.48 0.00 -1.80 2.65 0.24 -1.26 -4.54 118.33 109.13 3dmr n VAL 197 Ca -0.06 -1.15 -0.42 0.00 -2.04 0.00 0.00 64.34 60.67 3dmr n VAL 197 Cb 0.41 -0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 32.15 3dmr n VAL 197 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3dmr s ILE 198 N -1.19 2.54 0.47 1.34 -1.09 -0.89 -4.79 121.20 117.59 3dmr s ILE 198 Ca 0.31 0.20 -0.20 0.00 -2.23 0.00 0.00 60.65 58.73 3dmr s ILE 198 Cb -0.02 -3.13 -0.09 0.00 -1.58 0.00 0.00 42.46 37.64 3dmr s ILE 198 CO 0.19 0.01 0.99 -2.16 -1.23 0.00 0.00 174.94 172.74 3dmr s PRO 199 N 2.10 3.98 0.00 2.79 0.04 -1.26 0.57 135.00 143.21 3dmr s PRO 199 Ca 0.76 1.18 0.15 0.00 0.04 0.00 0.00 61.00 63.13 3dmr s PRO 199 Cb -0.45 -2.13 0.13 0.00 0.04 0.00 0.00 34.50 32.09 3dmr s PRO 199 CO 0.34 -0.26 0.99 -0.85 0.04 0.00 0.00 177.00 177.26 3dmr n GLU 200 N -1.01 1.16 -3.81 4.56 0.00 -1.26 -4.62 120.64 115.66 3dmr n GLU 200 Ca 0.08 -1.43 -0.29 0.00 0.00 0.00 0.00 57.16 55.52 3dmr n GLU 200 Cb 0.53 -1.29 0.03 0.00 0.00 0.00 0.00 31.44 30.71 3dmr n GLU 200 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3dmr n HIS 201 N 0.84 -2.28 0.29 -1.84 8.25 -1.26 -4.54 115.22 114.68 3dmr n HIS 201 Ca 0.09 0.85 0.18 0.00 -0.26 0.00 0.00 57.72 58.58 3dmr n HIS 201 Cb 0.38 -3.97 0.80 0.00 1.12 0.00 0.00 29.99 28.33 3dmr n HIS 201 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3dmr h GLY 202 N -1.99 0.00 2.00 -1.41 0.00 -1.91 -3.06 103.07 96.70 3dmr h GLY 202 Ca -0.56 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 3dmr h GLY 202 CO 0.65 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.80 3dmr h ALA 203 N 1.97 0.98 0.27 3.60 0.00 -1.89 -3.23 119.26 120.96 3dmr h ALA 203 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3dmr h ALA 203 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dmr h ALA 203 CO 0.00 0.49 -0.13 1.88 0.00 0.00 0.00 179.25 181.49 3dmr h TYR 204 N 0.00 -0.34 -0.86 0.00 0.05 -1.94 0.27 116.97 114.16 3dmr h TYR 204 Ca -0.00 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.88 3dmr h TYR 204 Cb 0.93 0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.70 3dmr h TYR 204 CO 0.00 -0.11 0.49 -1.35 -1.05 0.00 0.00 178.16 176.14 3dmr h PRO 205 N -0.51 0.78 -0.46 4.88 0.11 -1.77 0.40 132.00 135.43 3dmr h PRO 205 Ca -0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3dmr h PRO 205 Cb 0.38 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3dmr h PRO 205 CO 0.06 0.51 0.26 0.78 -0.21 0.00 0.00 178.00 179.41 3dmr h GLY 206 N 0.80 0.69 1.06 -0.55 0.00 -1.45 -1.60 103.07 102.01 3dmr h GLY 206 Ca 0.43 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 3dmr h GLY 206 CO -0.27 0.29 0.12 1.41 0.00 0.00 0.00 176.54 178.09 3dmr h LEU 207 N 0.61 1.04 -1.09 3.11 3.38 0.33 -2.79 115.31 119.91 3dmr h LEU 207 Ca 0.16 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3dmr h LEU 207 Cb 0.03 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3dmr h LEU 207 CO -0.03 1.03 0.62 -0.33 0.09 0.00 0.00 178.44 179.82 3dmr h GLU 208 N 1.01 1.21 0.00 1.13 5.08 -0.66 -1.93 114.58 120.42 3dmr h GLU 208 Ca 0.20 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3dmr h GLU 208 Cb 0.43 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3dmr h GLU 208 CO 0.01 0.80 -0.49 0.00 -1.00 0.00 0.00 179.01 178.33 3dmr h ALA 209 N 1.43 1.19 -0.34 3.43 0.00 -1.08 -1.46 119.26 122.43 3dmr h ALA 209 Ca 0.35 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3dmr h ALA 209 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3dmr h ALA 209 CO -0.08 0.61 -0.21 -0.07 0.00 0.00 0.00 179.25 179.49 3dmr h LEU 210 N 0.00 0.78 -0.71 0.00 3.38 -1.10 -2.03 115.31 115.62 3dmr h LEU 210 Ca -0.00 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 3dmr h LEU 210 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3dmr h LEU 210 CO 0.06 1.04 -0.21 0.50 0.09 0.00 0.00 178.44 179.92 3dmr h LYS 211 N 0.52 0.77 -0.23 1.13 3.64 -1.30 -2.45 116.57 118.65 3dmr h LYS 211 Ca 0.07 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 3dmr h LYS 211 Cb 0.77 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3dmr h LYS 211 CO 0.06 0.91 -0.15 0.00 -2.27 0.00 0.00 179.45 178.01 3dmr h ALA 212 N 1.09 1.32 0.00 5.00 0.00 -1.20 -2.04 119.26 123.43 3dmr h ALA 212 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3dmr h ALA 212 Cb 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dmr h ALA 212 CO 0.05 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.39 3dmr n LYS 213 N -4.21 0.24 -1.13 0.00 4.76 -0.77 -4.93 118.16 112.11 3dmr n LYS 213 Ca 0.00 0.34 -0.05 0.00 -2.87 0.00 0.00 58.31 55.73 3dmr n LYS 213 Cb 0.32 -1.86 -0.02 0.00 -1.84 0.00 0.00 35.03 31.62 3dmr n LYS 213 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dmr n GLY 214 N 0.59 0.73 3.65 0.72 0.00 -0.77 -5.00 105.19 105.11 3dmr n GLY 214 Ca 0.04 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 3dmr n GLY 214 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dmr n THR 215 N -2.79 3.00 -2.58 2.61 -1.04 -1.18 -4.94 114.28 107.35 3dmr n THR 215 Ca -0.05 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.04 3dmr n THR 215 Cb 0.19 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 3dmr n THR 215 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3dmr s LYS 216 N -2.39 4.47 -0.12 -2.82 2.20 -0.94 -4.91 119.74 115.24 3dmr s LYS 216 Ca 0.67 1.56 0.01 0.00 -0.36 0.00 0.00 55.97 57.85 3dmr s LYS 216 Cb -0.49 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 3dmr s LYS 216 CO 0.53 -0.20 -0.17 0.08 -0.36 0.00 0.00 175.35 175.23 3dmr s VAL 217 N 1.32 2.69 -0.10 4.02 1.01 -1.26 -0.78 120.40 127.30 3dmr s VAL 217 Ca 0.54 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3dmr s VAL 217 Cb -0.24 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3dmr s VAL 217 CO 0.26 0.54 -0.20 -0.63 0.00 0.00 0.00 175.10 175.07 3dmr s ILE 218 N 0.32 1.81 -0.15 2.22 1.01 0.42 -2.34 121.20 124.51 3dmr s ILE 218 Ca -0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 3dmr s ILE 218 Cb -0.17 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 3dmr s ILE 218 CO 0.07 0.50 -0.10 -0.69 0.00 0.00 0.00 174.94 174.72 3dmr s VAL 219 N 0.52 3.27 -0.38 2.92 1.01 -0.63 0.18 120.40 127.30 3dmr s VAL 219 Ca -0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3dmr s VAL 219 Cb -0.17 -2.40 0.10 0.00 0.00 0.00 0.00 36.38 33.91 3dmr s VAL 219 CO 0.06 0.51 0.15 -0.63 0.00 0.00 0.00 175.10 175.18 3dmr s ILE 220 N 0.47 2.99 -0.20 2.22 1.01 -0.45 -1.22 121.20 126.02 3dmr s ILE 220 Ca -0.08 -2.08 -0.27 0.00 0.00 0.00 0.00 60.65 58.22 3dmr s ILE 220 Cb -0.15 -3.06 0.09 0.00 0.01 0.00 0.00 42.46 39.35 3dmr s ILE 220 CO 0.04 -0.62 0.85 -0.62 0.00 0.00 0.00 174.94 174.58 3dmr s ASP 221 N 1.54 -0.58 0.11 3.58 -1.08 -0.47 -1.26 116.67 118.51 3dmr s ASP 221 Ca 0.08 0.94 0.20 0.00 -0.52 0.00 0.00 52.55 53.25 3dmr s ASP 221 Cb -0.22 0.89 0.83 0.00 -1.46 0.00 0.00 42.92 42.97 3dmr s ASP 221 CO -0.05 -0.32 1.63 -0.81 0.52 0.00 0.00 175.17 176.14 3dmr n PRO 222 N 1.81 0.09 -4.73 4.34 -0.04 -1.26 -4.21 135.00 131.00 3dmr n PRO 222 Ca -0.14 0.28 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 3dmr n PRO 222 Cb 0.56 -1.66 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 3dmr n PRO 222 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dmr s VAL 223 N -3.12 3.40 -1.01 0.52 1.01 -1.26 -2.15 120.40 117.78 3dmr s VAL 223 Ca 0.07 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 3dmr s VAL 223 Cb 0.11 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 34.18 3dmr s VAL 223 CO 0.37 0.58 1.37 -0.60 0.00 0.00 0.00 175.10 176.81 3dmr s ARG 224 N -0.54 3.63 0.95 2.72 3.52 0.10 -4.99 118.95 124.34 3dmr s ARG 224 Ca 0.08 -1.39 -0.14 0.00 -0.13 0.00 0.00 55.73 54.15 3dmr s ARG 224 Cb -0.12 -5.23 0.21 0.00 -1.56 0.00 0.00 34.95 28.25 3dmr s ARG 224 CO 0.02 -2.07 1.29 0.95 -0.81 0.00 0.00 175.30 174.68 3dmr s THR 225 N 4.18 2.00 0.29 4.11 -4.23 -1.26 -4.91 115.64 115.81 3dmr s THR 225 Ca 0.42 -0.13 0.23 0.00 -1.18 0.00 0.00 61.69 61.03 3dmr s THR 225 Cb -0.01 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 71.17 3dmr s THR 225 CO -0.09 0.00 1.91 0.11 -0.54 0.00 0.00 174.62 176.01 3dmr h LYS 226 N -1.54 0.00 -0.19 3.99 1.57 -1.98 -2.25 116.57 116.17 3dmr h LYS 226 Ca -0.42 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3dmr h LYS 226 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3dmr h LYS 226 CO 0.33 0.23 0.11 1.15 -0.57 0.00 0.00 179.45 180.70 3dmr h THR 227 N 0.00 1.08 0.40 -0.16 2.02 -1.94 0.45 112.91 114.77 3dmr h THR 227 Ca -0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3dmr h THR 227 Cb 0.59 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3dmr h THR 227 CO 0.03 0.08 -0.21 0.58 0.37 0.00 0.00 175.52 176.37 3dmr h VAL 228 N 0.23 0.56 -0.83 3.16 2.07 -1.81 -2.99 116.25 116.64 3dmr h VAL 228 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3dmr h VAL 228 Cb 0.03 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3dmr h VAL 228 CO -0.01 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 177.79 3dmr h GLU 229 N -0.57 1.10 -0.96 1.57 5.08 -1.26 0.29 114.58 119.83 3dmr h GLU 229 Ca -0.05 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3dmr h GLU 229 Cb 0.45 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3dmr h GLU 229 CO 0.07 0.73 0.62 0.35 -1.00 0.00 0.00 179.01 179.79 3dmr h PHE 230 N 1.13 1.17 -0.00 4.33 3.57 -0.03 -2.54 116.94 124.57 3dmr h PHE 230 Ca 0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.83 3dmr h PHE 230 Cb -0.12 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.23 3dmr h PHE 230 CO -0.01 0.68 -0.75 1.19 -2.23 0.00 0.00 178.31 177.19 3dmr n PHE 231 N -4.47 0.00 -3.70 0.41 3.72 -1.09 -4.97 117.46 107.36 3dmr n PHE 231 Ca 0.12 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.29 3dmr n PHE 231 Cb 0.08 -0.07 0.05 0.00 -0.94 0.00 0.00 39.48 38.60 3dmr n PHE 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dmr n GLY 232 N 1.48 -0.38 3.81 1.37 0.00 0.95 -4.90 105.19 107.50 3dmr n GLY 232 Ca 0.06 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3dmr n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmr s ALA 233 N -3.49 2.67 -0.04 4.61 0.00 -0.70 -4.99 121.76 119.83 3dmr s ALA 233 Ca 0.24 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 3dmr s ALA 233 Cb -0.12 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3dmr s ALA 233 CO 0.79 -1.07 1.32 -2.00 0.00 0.00 0.00 175.76 174.80 3dmr s GLU 234 N -4.58 4.30 -0.26 0.00 2.12 -0.99 -4.89 118.70 114.40 3dmr s GLU 234 Ca 0.61 1.83 -0.05 0.00 0.36 0.00 0.00 54.97 57.72 3dmr s GLU 234 Cb -0.15 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.63 3dmr s GLU 234 CO 0.47 -0.56 0.03 -1.58 -0.54 0.00 0.00 175.26 173.08 3dmr s HIS 235 N 2.55 3.08 -0.22 5.30 5.65 -1.26 -1.60 115.29 128.78 3dmr s HIS 235 Ca 0.60 -0.96 -0.09 0.00 0.25 0.00 0.00 55.06 54.86 3dmr s HIS 235 Cb -0.28 -2.19 -0.04 0.00 -1.18 0.00 0.00 32.58 28.89 3dmr s HIS 235 CO 0.23 -0.56 0.11 0.42 -0.65 0.00 0.00 174.74 174.30 3dmr s ILE 236 N 1.49 5.00 -0.45 0.89 -1.09 -0.36 -5.01 121.20 121.67 3dmr s ILE 236 Ca 0.04 0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.51 3dmr s ILE 236 Cb -0.16 -3.31 0.12 0.00 -1.58 0.00 0.00 42.46 37.53 3dmr s ILE 236 CO 0.00 0.38 0.22 0.42 -1.23 0.00 0.00 174.94 174.73 3dmr s THR 237 N 0.96 3.01 0.51 2.92 -4.23 -1.26 -1.37 115.64 116.17 3dmr s THR 237 Ca 0.06 -2.48 -0.07 0.00 -1.18 0.00 0.00 61.69 58.02 3dmr s THR 237 Cb -0.13 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 3dmr s THR 237 CO 0.03 -0.72 0.85 -2.16 -0.54 0.00 0.00 174.62 172.08 3dmr s PRO 238 N 0.65 3.56 0.12 3.99 0.04 -1.26 -4.76 135.00 137.34 3dmr s PRO 238 Ca 0.12 0.34 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 3dmr s PRO 238 Cb -0.22 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 3dmr s PRO 238 CO -0.04 -0.29 1.27 0.15 0.04 0.00 0.00 177.00 178.12 3dmr s LYS 239 N -4.82 4.40 0.26 4.56 1.02 -0.64 -4.46 119.74 120.06 3dmr s LYS 239 Ca 0.49 1.91 -0.29 0.00 0.02 0.00 0.00 55.97 58.11 3dmr s LYS 239 Cb -0.10 -3.28 -0.15 0.00 -0.52 0.00 0.00 37.83 33.78 3dmr s LYS 239 CO 0.47 -0.28 0.95 -2.30 -0.92 0.00 0.00 175.35 173.27 3dmr n PRO 240 N 3.52 1.10 -0.86 -1.68 -0.02 -1.26 -2.42 135.00 133.38 3dmr n PRO 240 Ca 0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3dmr n PRO 240 Cb 0.44 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3dmr n PRO 240 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dmr n GLN 241 N 0.89 0.00 -0.07 -0.52 6.02 -1.26 -4.64 117.38 117.80 3dmr n GLN 241 Ca 0.12 0.14 0.03 0.00 -0.01 0.00 0.00 57.00 57.28 3dmr n GLN 241 Cb 0.30 -2.87 0.07 0.00 1.02 0.00 0.00 30.24 28.76 3dmr n GLN 241 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dmr n THR 242 N -2.86 1.26 -0.29 5.09 -2.24 -1.02 -4.76 114.28 109.46 3dmr n THR 242 Ca 0.00 -1.31 0.05 0.00 -2.27 0.00 0.00 64.05 60.53 3dmr n THR 242 Cb 0.00 0.31 0.27 0.00 -2.10 0.00 0.00 70.33 68.80 3dmr n THR 242 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dmr h ASP 243 N 0.47 0.86 -0.77 3.42 5.19 -1.92 -1.76 116.42 121.90 3dmr h ASP 243 Ca 0.00 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 3dmr h ASP 243 Cb 0.70 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3dmr h ASP 243 CO 0.01 0.53 0.28 0.58 -3.12 0.00 0.00 179.24 177.53 3dmr h VAL 244 N 0.96 1.26 -0.58 -1.35 2.07 -1.92 -2.07 116.25 114.62 3dmr h VAL 244 Ca 0.40 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3dmr h VAL 244 Cb 0.28 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3dmr h VAL 244 CO -0.16 0.35 0.32 0.00 0.02 0.00 0.00 177.57 178.10 3dmr h ALA 245 N 1.16 0.75 -0.79 1.67 0.00 -1.68 -1.54 119.26 118.83 3dmr h ALA 245 Ca 0.26 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3dmr h ALA 245 Cb 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3dmr h ALA 245 CO -0.02 0.00 0.37 0.82 0.00 0.00 0.00 179.25 180.43 3dmr h ILE 246 N 0.61 1.25 -0.49 0.00 2.04 -1.31 -1.34 117.51 118.26 3dmr h ILE 246 Ca 0.25 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 3dmr h ILE 246 Cb 0.11 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3dmr h ILE 246 CO -0.15 0.30 -0.04 0.24 0.00 0.00 0.00 178.15 178.50 3dmr h MET 247 N 1.13 0.86 -0.33 2.37 2.86 -0.71 0.13 114.93 121.23 3dmr h MET 247 Ca 0.27 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3dmr h MET 247 Cb 0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3dmr h MET 247 CO -0.03 0.89 -0.06 -0.07 1.06 0.00 0.00 176.91 178.69 3dmr h LEU 248 N 0.79 0.63 -0.85 1.22 3.38 -1.09 -0.64 115.31 118.75 3dmr h LEU 248 Ca 0.14 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3dmr h LEU 248 Cb 0.53 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 3dmr h LEU 248 CO 0.03 0.84 0.52 1.23 0.09 0.00 0.00 178.44 181.14 3dmr h GLY 249 N 0.42 1.31 0.92 0.83 0.00 -0.84 0.38 103.07 106.09 3dmr h GLY 249 Ca 0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 3dmr h GLY 249 CO 0.03 0.21 -0.12 -0.33 0.00 0.00 0.00 176.54 176.33 3dmr h MET 250 N 0.91 0.64 -0.45 4.80 2.86 -0.78 -2.27 114.93 120.64 3dmr h MET 250 Ca 0.39 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3dmr h MET 250 Cb 0.25 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3dmr h MET 250 CO -0.20 0.85 0.30 0.00 1.06 0.00 0.00 176.91 178.91 3dmr h ALA 251 N 0.78 0.57 -0.37 6.32 0.00 -0.29 -1.99 119.26 124.27 3dmr h ALA 251 Ca 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dmr h ALA 251 Cb 0.64 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3dmr h ALA 251 CO 0.04 0.01 0.10 1.25 0.00 0.00 0.00 179.25 180.66 3dmr h HIS 252 N 0.60 0.18 -0.73 0.00 6.17 -0.26 -1.55 115.15 119.56 3dmr h HIS 252 Ca 0.16 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.32 3dmr h HIS 252 Cb -0.07 -0.02 -0.06 0.00 2.52 0.00 0.00 27.41 29.78 3dmr h HIS 252 CO -0.05 0.05 0.43 1.15 0.71 0.00 0.00 177.93 180.23 3dmr h THR 253 N 0.24 1.01 -0.02 6.26 2.02 -0.97 0.11 112.91 121.55 3dmr h THR 253 Ca 0.17 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3dmr h THR 253 Cb 0.18 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3dmr h THR 253 CO -0.20 0.15 -0.19 -0.07 0.37 0.00 0.00 175.52 175.58 3dmr h LEU 254 N 0.80 0.03 0.00 2.58 3.38 -0.64 -0.49 115.31 120.97 3dmr h LEU 254 Ca 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3dmr h LEU 254 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3dmr h LEU 254 CO -0.17 0.22 -0.03 0.58 0.09 0.00 0.00 178.44 179.13 3dmr h VAL 255 N 0.03 1.70 -0.78 1.22 2.07 -0.51 0.17 116.25 120.15 3dmr h VAL 255 Ca 0.00 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 65.44 3dmr h VAL 255 Cb 0.35 3.11 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 3dmr h VAL 255 CO 0.02 0.54 0.52 0.00 0.02 0.00 0.00 177.57 178.67 3dmr h ALA 256 N 0.12 1.44 -0.47 1.67 0.00 -0.76 -0.24 119.26 121.02 3dmr h ALA 256 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dmr h ALA 256 Cb 0.91 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3dmr h ALA 256 CO 0.01 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.17 3dmr n GLU 257 N -4.41 2.23 -3.77 0.00 1.02 -0.22 -4.94 120.64 110.54 3dmr n GLU 257 Ca 0.09 -1.89 -0.24 0.00 -0.02 0.00 0.00 57.16 55.09 3dmr n GLU 257 Cb 0.03 -1.43 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 3dmr n GLU 257 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dmr n ASP 258 N 1.05 -1.62 -0.05 1.62 2.03 -0.10 -4.92 116.55 114.56 3dmr n ASP 258 Ca 0.18 -0.91 -0.03 0.00 0.52 0.00 0.00 54.79 54.55 3dmr n ASP 258 Cb 0.46 -3.63 -0.10 0.00 -0.72 0.00 0.00 41.12 37.13 3dmr n ASP 258 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dmr n LEU 259 N -4.27 0.00 -4.31 -2.67 4.77 0.59 -5.02 117.00 106.08 3dmr n LEU 259 Ca -0.27 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.39 3dmr n LEU 259 Cb 0.67 0.23 0.17 0.00 -2.33 0.00 0.00 43.42 42.16 3dmr n LEU 259 CO 0.70 0.23 -0.38 0.00 -1.33 0.00 0.00 177.39 176.61 3dmr n TYR 260 N -2.34 -1.40 -3.09 -1.77 4.11 -1.09 -4.91 117.16 106.68 3dmr n TYR 260 Ca -0.16 0.12 -0.45 0.00 -0.00 0.00 0.00 57.90 57.42 3dmr n TYR 260 Cb 0.77 -1.61 -0.04 0.00 -0.00 0.00 0.00 39.34 38.46 3dmr n TYR 260 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3dmr s ASP 261 N -1.92 6.23 0.34 9.48 -1.08 -0.39 -4.92 116.67 124.42 3dmr s ASP 261 Ca 0.57 -1.48 0.12 0.00 -0.52 0.00 0.00 52.55 51.24 3dmr s ASP 261 Cb -0.14 -2.31 0.61 0.00 -1.46 0.00 0.00 42.92 39.62 3dmr s ASP 261 CO 0.66 -1.12 1.77 0.11 0.52 0.00 0.00 175.17 177.10 3dmr h LYS 262 N 9.15 0.01 -0.26 4.34 1.57 -1.90 -2.23 116.57 127.25 3dmr h LYS 262 Ca -0.25 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.34 3dmr h LYS 262 Cb 1.08 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3dmr h LYS 262 CO 1.10 0.45 -0.56 -0.44 -0.57 0.00 0.00 179.45 179.42 3dmr h ASP 263 N 0.01 0.94 0.26 0.86 3.32 -1.98 -0.07 116.42 119.76 3dmr h ASP 263 Ca -0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 3dmr h ASP 263 Cb 0.78 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3dmr h ASP 263 CO 0.06 1.32 -0.12 0.15 -1.72 0.00 0.00 179.24 178.92 3dmr h PHE 264 N 0.60 -0.32 -0.35 4.55 3.57 -1.88 -1.48 116.94 121.64 3dmr h PHE 264 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3dmr h PHE 264 Cb 1.17 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.96 3dmr h PHE 264 CO 0.08 -0.17 -0.01 0.82 -2.23 0.00 0.00 178.31 176.79 3dmr h ILE 265 N -0.38 0.72 -0.42 1.41 1.08 -1.38 -1.42 117.51 117.12 3dmr h ILE 265 Ca -0.04 -0.03 -0.06 0.00 -0.39 0.00 0.00 64.86 64.34 3dmr h ILE 265 Cb 0.29 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 3dmr h ILE 265 CO 0.06 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.54 3dmr h ALA 266 N 1.31 1.22 0.00 1.87 0.00 -0.82 -2.71 119.26 120.13 3dmr h ALA 266 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dmr h ALA 266 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dmr h ALA 266 CO -0.30 0.52 -1.99 0.09 0.00 0.00 0.00 179.25 177.57 3dmr n ASN 267 N -4.24 0.01 0.00 0.00 3.02 -0.57 -4.65 115.26 108.83 3dmr n ASN 267 Ca 0.02 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3dmr n ASN 267 Cb 0.27 1.97 0.00 0.00 -0.61 0.00 0.00 39.78 41.42 3dmr n ASN 267 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dmr n TYR 268 N -2.27 0.00 -4.57 3.10 4.01 -0.55 -5.02 117.16 111.86 3dmr n TYR 268 Ca -0.04 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.44 3dmr n TYR 268 Cb 0.57 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.49 3dmr n TYR 268 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3dmr s THR 269 N -0.37 1.77 -0.05 -0.72 -4.23 -1.02 -0.80 115.64 110.23 3dmr s THR 269 Ca 0.00 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3dmr s THR 269 Cb 0.00 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.95 3dmr s THR 269 CO 0.00 -0.01 0.10 -0.55 -0.54 0.00 0.00 174.62 173.62 3dmr s SER 270 N -3.64 -0.05 0.00 3.99 0.15 -0.13 -4.79 113.70 109.22 3dmr s SER 270 Ca 0.35 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3dmr s SER 270 Cb 0.09 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 3dmr s SER 270 CO 0.17 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.10 3dmr n GLY 271 N 3.98 0.83 0.24 9.45 0.00 -1.26 -1.79 105.19 116.63 3dmr n GLY 271 Ca -0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 3dmr n GLY 271 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dmr h PHE 272 N 0.00 0.78 -0.17 1.61 3.57 -1.93 -2.31 116.94 118.49 3dmr h PHE 272 Ca 0.00 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.51 3dmr h PHE 272 Cb 0.00 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3dmr h PHE 272 CO 0.00 0.60 0.26 0.38 -2.23 0.00 0.00 178.31 177.32 3dmr h ASP 273 N 0.72 0.00 0.90 0.41 2.03 -2.00 0.30 116.42 118.78 3dmr h ASP 273 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 3dmr h ASP 273 Cb 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 3dmr h ASP 273 CO -0.02 0.00 -0.65 0.11 -1.03 0.00 0.00 179.24 177.65 3dmr h LYS 274 N 0.00 0.00 0.01 4.15 1.57 -1.84 -3.35 116.57 117.11 3dmr h LYS 274 Ca 0.08 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.53 3dmr h LYS 274 Cb 0.60 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 3dmr h LYS 274 CO -0.00 0.00 -1.99 0.34 -0.57 0.00 0.00 179.45 177.23 3dmr n PHE 275 N -2.18 0.63 -0.07 -1.35 7.35 0.88 -4.52 117.46 118.20 3dmr n PHE 275 Ca 0.03 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.87 3dmr n PHE 275 Cb 0.45 -1.11 -0.01 0.00 0.35 0.00 0.00 39.48 39.16 3dmr n PHE 275 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3dmr h LEU 276 N 0.00 -0.63 -0.97 -2.13 5.85 -1.16 -2.02 115.31 114.25 3dmr h LEU 276 Ca -0.39 0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.64 3dmr h LEU 276 Cb 2.10 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 43.34 3dmr h LEU 276 CO 0.06 -0.23 0.57 -0.65 -0.34 0.00 0.00 178.44 177.85 3dmr h PRO 277 N -0.17 0.71 -0.35 5.25 0.11 -1.79 -0.61 132.00 135.15 3dmr h PRO 277 Ca 0.15 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3dmr h PRO 277 Cb 0.40 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3dmr h PRO 277 CO -0.38 0.47 0.08 -0.92 -0.21 0.00 0.00 178.00 177.03 3dmr h TYR 278 N 0.73 0.60 -0.94 0.65 3.20 -1.62 -1.37 116.97 118.22 3dmr h TYR 278 Ca 0.56 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.36 3dmr h TYR 278 Cb 0.85 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 3dmr h TYR 278 CO -0.03 0.61 0.62 1.25 -1.64 0.00 0.00 178.16 178.97 3dmr h LEU 279 N 0.42 1.07 -0.14 2.82 5.85 -0.75 -2.73 115.31 121.85 3dmr h LEU 279 Ca 0.11 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3dmr h LEU 279 Cb 0.32 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3dmr h LEU 279 CO 0.00 0.77 -0.06 0.47 -0.34 0.00 0.00 178.44 179.29 3dmr n ASP 280 N -4.43 0.28 0.00 1.25 8.00 -0.42 -1.60 116.55 119.63 3dmr n ASP 280 Ca 0.11 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.11 3dmr n ASP 280 Cb 0.01 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3dmr n ASP 280 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dmr n GLY 281 N 1.25 0.59 0.23 0.44 0.00 -0.98 -4.11 105.19 102.61 3dmr n GLY 281 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3dmr n GLY 281 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dmr h GLU 282 N 1.52 0.21 0.00 1.61 5.08 -1.52 0.54 114.58 122.02 3dmr h GLU 282 Ca 0.00 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3dmr h GLU 282 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3dmr h GLU 282 CO 0.00 0.38 -1.14 1.79 -1.00 0.00 0.00 179.01 179.04 3dmr h THR 283 N 0.20 0.38 0.00 1.13 1.35 -1.87 -3.40 112.91 110.69 3dmr h THR 283 Ca 0.04 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 3dmr h THR 283 Cb 0.41 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3dmr h THR 283 CO 0.03 0.21 0.00 -0.90 -0.25 0.00 0.00 175.52 174.61 3dmr n ASP 284 N -2.88 0.35 -0.87 5.36 5.68 -1.20 -5.01 116.55 117.98 3dmr n ASP 284 Ca -0.05 -0.94 -0.10 0.00 -0.50 0.00 0.00 54.79 53.20 3dmr n ASP 284 Cb 0.73 0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.71 3dmr n ASP 284 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3dmr n SER 285 N -0.03 -3.89 -3.51 -1.12 7.64 0.19 -4.96 113.62 107.94 3dmr n SER 285 Ca 0.00 0.16 -0.28 0.00 1.01 0.00 0.00 58.87 59.76 3dmr n SER 285 Cb 0.14 -2.55 -0.11 0.00 -1.01 0.00 0.00 64.21 60.69 3dmr n SER 285 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3dmr s THR 286 N -2.40 0.82 0.05 0.44 2.01 -1.21 -5.02 115.64 110.33 3dmr s THR 286 Ca 0.00 -2.82 -0.36 0.00 0.31 0.00 0.00 61.69 58.82 3dmr s THR 286 Cb 0.00 -1.57 -0.15 0.00 0.01 0.00 0.00 72.50 70.79 3dmr s THR 286 CO 0.00 -1.15 1.51 -2.65 -0.69 0.00 0.00 174.62 171.64 3dmr n PRO 287 N 2.88 1.55 -1.63 4.92 -0.02 -1.26 -4.14 135.00 137.30 3dmr n PRO 287 Ca 0.25 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 3dmr n PRO 287 Cb 0.44 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3dmr n PRO 287 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dmr n LYS 288 N 3.52 4.00 -1.27 -0.52 4.76 -0.63 -4.82 118.16 123.19 3dmr n LYS 288 Ca 0.19 -2.75 -0.30 0.00 -2.87 0.00 0.00 58.31 52.59 3dmr n LYS 288 Cb 0.22 -2.77 0.14 0.00 -1.84 0.00 0.00 35.03 30.78 3dmr n LYS 288 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3dmr s THR 289 N 0.90 2.60 0.33 -0.18 -4.23 -1.26 -3.53 115.64 110.28 3dmr s THR 289 Ca 0.62 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 3dmr s THR 289 Cb 0.18 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.55 3dmr s THR 289 CO -0.07 -0.26 1.98 0.00 -0.54 0.00 0.00 174.62 175.73 3dmr h ALA 290 N -1.52 1.53 -0.37 3.99 0.00 -1.91 0.22 119.26 121.20 3dmr h ALA 290 Ca -0.50 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3dmr h ALA 290 Cb 1.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3dmr h ALA 290 CO 0.56 0.42 -0.17 0.93 0.00 0.00 0.00 179.25 180.99 3dmr h GLU 291 N 0.95 0.68 -0.25 0.00 3.07 -1.92 0.49 114.58 117.59 3dmr h GLU 291 Ca 0.29 -0.24 -0.15 0.00 -0.50 0.00 0.00 59.36 58.75 3dmr h GLU 291 Cb -0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 3dmr h GLU 291 CO -0.07 0.81 -0.47 2.35 -1.40 0.00 0.00 179.01 180.23 3dmr h TRP 292 N 0.61 0.79 -0.21 4.33 7.01 -1.35 -2.63 115.95 124.51 3dmr h TRP 292 Ca 0.10 -0.25 -0.10 0.00 2.11 0.00 0.00 58.89 60.74 3dmr h TRP 292 Cb 0.63 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 3dmr h TRP 292 CO 0.03 0.99 -0.32 0.00 -2.79 0.00 0.00 178.44 176.35 3dmr h ALA 293 N 0.96 1.07 -0.51 2.65 0.00 -0.31 -2.89 119.26 120.23 3dmr h ALA 293 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dmr h ALA 293 Cb 1.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3dmr h ALA 293 CO 0.09 0.58 0.32 1.49 0.00 0.00 0.00 179.25 181.73 3dmr h GLU 294 N 0.36 0.69 -0.34 0.00 4.81 -0.73 0.57 114.58 119.94 3dmr h GLU 294 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3dmr h GLU 294 Cb 0.74 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3dmr h GLU 294 CO 0.06 0.49 0.17 0.78 -0.73 0.00 0.00 179.01 179.78 3dmr h GLY 295 N 0.69 0.50 0.09 1.92 0.00 -1.26 -1.36 103.07 103.65 3dmr h GLY 295 Ca 0.18 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 3dmr h GLY 295 CO -0.04 0.20 -0.99 -2.22 0.00 0.00 0.00 176.54 173.49 3dmr h ILE 296 N 0.47 1.14 0.08 2.60 2.04 -1.45 -3.41 117.51 118.97 3dmr h ILE 296 Ca 0.12 -2.25 -0.26 0.00 1.00 0.00 0.00 64.86 63.47 3dmr h ILE 296 Cb 0.04 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3dmr h ILE 296 CO -0.02 0.45 -1.21 0.77 0.00 0.00 0.00 178.15 178.15 3dmr h SER 297 N -0.88 0.27 0.00 1.72 4.64 -0.94 -3.46 113.55 114.90 3dmr h SER 297 Ca -0.26 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3dmr h SER 297 Cb 1.31 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3dmr h SER 297 CO -0.11 1.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 3dmr n GLY 298 N 1.49 0.73 3.67 -0.77 0.00 -0.51 -1.63 105.19 108.17 3dmr n GLY 298 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3dmr n GLY 298 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmr s VAL 299 N -2.47 4.90 0.13 1.61 1.01 -1.26 -4.99 120.40 119.34 3dmr s VAL 299 Ca 0.00 1.57 -0.35 0.00 0.00 0.00 0.00 61.98 63.20 3dmr s VAL 299 Cb 0.00 -4.11 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 3dmr s VAL 299 CO 0.00 0.05 1.33 -2.65 0.00 0.00 0.00 175.10 173.83 3dmr n PRO 300 N 5.15 1.37 -0.27 2.72 -0.02 -1.26 -4.18 135.00 138.51 3dmr n PRO 300 Ca 0.03 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3dmr n PRO 300 Cb 0.49 -2.12 0.23 0.00 -0.02 0.00 0.00 33.50 32.08 3dmr n PRO 300 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dmr h ALA 301 N 4.43 1.12 0.00 3.55 0.00 -1.94 -0.59 119.26 125.83 3dmr h ALA 301 Ca -0.46 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3dmr h ALA 301 Cb 1.32 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3dmr h ALA 301 CO 0.77 -0.36 -0.43 0.93 0.00 0.00 0.00 179.25 180.17 3dmr h GLU 302 N 0.29 0.00 -0.20 0.00 4.39 -1.92 -2.29 114.58 114.85 3dmr h GLU 302 Ca 0.47 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.15 3dmr h GLU 302 Cb 0.86 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 3dmr h GLU 302 CO -0.54 0.43 0.02 1.15 -1.16 0.00 0.00 179.01 178.91 3dmr h THR 303 N 0.00 1.23 -0.78 1.13 2.02 -1.48 -0.74 112.91 114.30 3dmr h THR 303 Ca -0.00 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.45 3dmr h THR 303 Cb 0.81 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 3dmr h THR 303 CO 0.06 0.24 0.47 0.40 0.37 0.00 0.00 175.52 177.05 3dmr h ILE 304 N 0.12 1.02 -0.31 3.11 2.04 -1.24 0.16 117.51 122.40 3dmr h ILE 304 Ca 0.06 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 3dmr h ILE 304 Cb 0.34 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3dmr h ILE 304 CO 0.01 0.16 -0.42 0.11 0.00 0.00 0.00 178.15 178.01 3dmr h LYS 305 N 0.86 0.76 -0.34 2.37 1.57 -1.34 -1.93 116.57 118.52 3dmr h LYS 305 Ca 0.34 -0.41 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 3dmr h LYS 305 Cb 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3dmr h LYS 305 CO -0.17 1.03 -0.37 0.93 -0.57 0.00 0.00 179.45 180.30 3dmr h GLU 306 N 0.62 0.79 -0.32 3.15 5.08 -0.23 -2.36 114.58 121.32 3dmr h GLU 306 Ca 0.05 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3dmr h GLU 306 Cb 0.97 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3dmr h GLU 306 CO 0.09 1.03 0.15 -0.07 -1.00 0.00 0.00 179.01 179.21 3dmr h LEU 307 N 0.66 0.42 -0.05 1.33 4.07 -0.69 -1.53 115.31 119.51 3dmr h LEU 307 Ca 0.06 -0.13 0.02 0.00 0.08 0.00 0.00 57.88 57.91 3dmr h LEU 307 Cb 0.93 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 3dmr h LEU 307 CO 0.09 0.43 -0.08 0.00 -1.08 0.00 0.00 178.44 177.80 3dmr h ALA 308 N 1.00 -0.04 -0.87 1.53 0.00 -1.20 -1.89 119.26 117.80 3dmr h ALA 308 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dmr h ALA 308 Cb 0.13 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3dmr h ALA 308 CO -0.01 -0.56 0.43 0.00 0.00 0.00 0.00 179.25 179.11 3dmr h ARG 309 N -0.12 1.24 -0.51 0.00 3.08 -1.32 -2.54 114.38 114.21 3dmr h ARG 309 Ca 0.05 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3dmr h ARG 309 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3dmr h ARG 309 CO -0.12 0.94 0.16 1.25 -1.07 0.00 0.00 179.97 181.12 3dmr h LEU 310 N 1.23 0.74 -1.15 3.04 5.85 -0.97 -2.11 115.31 121.95 3dmr h LEU 310 Ca 0.30 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3dmr h LEU 310 Cb 0.09 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3dmr h LEU 310 CO -0.04 0.76 0.55 -0.26 -0.34 0.00 0.00 178.44 179.10 3dmr h PHE 311 N 0.69 1.07 0.00 1.25 0.04 -1.20 -2.18 116.94 116.61 3dmr h PHE 311 Ca 0.16 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.83 3dmr h PHE 311 Cb 0.28 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3dmr h PHE 311 CO 0.02 0.68 -0.58 1.49 -0.60 0.00 0.00 178.31 179.32 3dmr h GLU 312 N 1.14 0.00 -0.02 1.51 4.57 -1.19 -3.29 114.58 117.30 3dmr h GLU 312 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3dmr h GLU 312 Cb -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3dmr h GLU 312 CO -0.06 0.58 -0.26 -1.13 -1.18 0.00 0.00 179.01 176.95 3dmr n SER 313 N -3.67 2.16 -4.29 1.04 3.41 -0.82 -4.96 113.62 106.50 3dmr n SER 313 Ca -0.01 -1.59 -0.20 0.00 -0.26 0.00 0.00 58.87 56.82 3dmr n SER 313 Cb 0.62 0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.71 3dmr n SER 313 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dmr s LYS 314 N -2.30 1.17 -0.42 4.33 -0.14 -0.94 -5.08 119.74 116.36 3dmr s LYS 314 Ca 0.24 -1.36 -0.28 0.00 -1.36 0.00 0.00 55.97 53.21 3dmr s LYS 314 Cb 0.19 -1.11 -0.02 0.00 -1.68 0.00 0.00 37.83 35.21 3dmr s LYS 314 CO 0.46 0.21 1.87 0.50 -0.76 0.00 0.00 175.35 177.64 3dmr s ARG 315 N -2.86 3.02 -0.06 1.68 6.06 -1.26 -4.82 118.95 120.71 3dmr s ARG 315 Ca 0.14 1.19 0.05 0.00 -2.50 0.00 0.00 55.73 54.60 3dmr s ARG 315 Cb -0.05 -4.29 -0.02 0.00 0.06 0.00 0.00 34.95 30.66 3dmr s ARG 315 CO 0.05 -2.23 -0.20 0.99 -2.50 0.00 0.00 175.30 171.41 3dmr s THR 316 N 7.98 2.55 -0.21 4.11 2.01 -1.26 -1.11 115.64 129.70 3dmr s THR 316 Ca 0.78 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 3dmr s THR 316 Cb -0.19 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 3dmr s THR 316 CO 0.29 0.57 -0.07 -0.32 -0.69 0.00 0.00 174.62 174.40 3dmr s MET 317 N -0.36 3.32 -0.47 4.92 1.75 -0.75 -2.20 119.30 125.51 3dmr s MET 317 Ca 0.03 -0.66 -0.15 0.00 -1.25 0.00 0.00 55.69 53.66 3dmr s MET 317 Cb -0.12 -2.93 0.08 0.00 2.84 0.00 0.00 34.83 34.69 3dmr s MET 317 CO 0.02 -0.19 0.39 -0.51 -0.65 0.00 0.00 175.02 174.07 3dmr s LEU 318 N 1.43 5.62 -0.51 4.11 1.43 -0.74 -1.61 118.68 128.41 3dmr s LEU 318 Ca 0.05 -1.40 -0.15 0.00 -1.03 0.00 0.00 54.13 51.60 3dmr s LEU 318 Cb -0.14 -2.16 0.11 0.00 0.03 0.00 0.00 46.19 44.03 3dmr s LEU 318 CO -0.05 -0.65 0.45 0.00 0.23 0.00 0.00 176.35 176.33 3dmr s ALA 319 N 1.61 3.60 -0.12 4.21 0.00 -0.06 -0.82 121.76 130.17 3dmr s ALA 319 Ca 0.04 -2.37 -0.05 0.00 0.00 0.00 0.00 51.96 49.58 3dmr s ALA 319 Cb -0.25 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3dmr s ALA 319 CO 0.06 -1.89 0.08 0.00 0.00 0.00 0.00 175.76 174.00 3dmr s ALA 320 N 1.60 3.60 0.72 0.00 0.00 -0.80 -0.60 121.76 126.29 3dmr s ALA 320 Ca 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 3dmr s ALA 320 Cb -0.27 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3dmr s ALA 320 CO 0.04 0.53 0.10 0.41 0.00 0.00 0.00 175.76 176.85 3dmr n GLY 321 N 2.30 -0.25 0.21 0.00 0.00 0.05 -4.52 105.19 102.97 3dmr n GLY 321 Ca -0.19 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.06 3dmr n GLY 321 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dmr n TRP 322 N -1.85 0.00 -0.27 1.61 8.01 -1.25 -4.64 117.44 119.05 3dmr n TRP 322 Ca 0.01 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.20 3dmr n TRP 322 Cb 0.05 0.00 0.18 0.00 -2.01 0.00 0.00 31.31 29.54 3dmr n TRP 322 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3dmr h SER 323 N 1.02 0.98 0.00 -0.99 4.64 -1.91 -2.75 113.55 114.54 3dmr h SER 323 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dmr h SER 323 Cb 0.30 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3dmr h SER 323 CO 0.00 0.73 0.00 1.15 -0.87 0.00 0.00 176.83 177.84 3dmr n MET 324 N -4.39 0.86 0.00 4.77 0.00 -1.26 -1.52 117.12 115.57 3dmr n MET 324 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.81 3dmr n MET 324 Cb 0.04 -1.39 0.01 0.00 0.00 0.00 0.00 33.22 31.88 3dmr n MET 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3dmr n GLN 325 N -0.89 1.20 -1.73 3.17 -0.00 -1.05 -4.63 117.38 113.44 3dmr n GLN 325 Ca 0.16 -0.56 -0.33 0.00 -0.00 0.00 0.00 57.00 56.27 3dmr n GLN 325 Cb 0.07 -0.98 -0.02 0.00 -0.00 0.00 0.00 30.24 29.32 3dmr n GLN 325 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3dmr n ARG 326 N -0.10 2.95 -3.67 2.61 0.63 -0.58 -4.34 116.66 114.15 3dmr n ARG 326 Ca 0.02 -2.93 -0.10 0.00 -0.92 0.00 0.00 57.85 53.92 3dmr n ARG 326 Cb 0.10 -2.26 -0.05 0.00 0.45 0.00 0.00 32.46 30.70 3dmr n ARG 326 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3dmr s MET 327 N -2.43 1.09 0.15 -0.14 -1.94 -1.25 -0.86 119.30 113.92 3dmr s MET 327 Ca 0.55 -0.76 -0.34 0.00 -1.71 0.00 0.00 55.69 53.43 3dmr s MET 327 Cb 0.36 0.47 -0.15 0.00 2.01 0.00 0.00 34.83 37.52 3dmr s MET 327 CO -0.25 -0.43 1.39 1.58 -0.01 0.00 0.00 175.02 177.29 3dmr n HIS 328 N -0.23 1.79 -2.67 -0.03 -0.00 -1.26 -0.92 115.22 111.91 3dmr n HIS 328 Ca -0.15 0.51 -0.18 0.00 0.46 0.00 0.00 57.72 58.35 3dmr n HIS 328 Cb 0.63 -2.40 0.01 0.00 -0.12 0.00 0.00 29.99 28.12 3dmr n HIS 328 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3dmr n HIS 329 N 2.51 -1.33 -0.22 1.57 8.25 -0.01 -4.90 115.22 121.08 3dmr n HIS 329 Ca 0.16 0.26 0.22 0.00 -0.26 0.00 0.00 57.72 58.10 3dmr n HIS 329 Cb 0.25 -3.79 0.57 0.00 1.12 0.00 0.00 29.99 28.14 3dmr n HIS 329 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3dmr h GLY 330 N -0.69 0.63 0.28 -1.41 0.00 -1.22 -2.45 103.07 98.20 3dmr h GLY 330 Ca -0.44 -0.13 0.19 0.00 0.00 0.00 0.00 47.33 46.95 3dmr h GLY 330 CO 0.49 -0.01 0.60 0.83 0.00 0.00 0.00 176.54 178.45 3dmr h GLU 331 N 0.28 0.58 -0.06 4.80 3.07 -1.84 -2.70 114.58 118.71 3dmr h GLU 331 Ca 0.46 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.19 3dmr h GLU 331 Cb 1.32 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 3dmr h GLU 331 CO -0.13 0.38 -0.39 1.96 -1.40 0.00 0.00 179.01 179.43 3dmr h GLN 332 N 0.59 0.12 0.04 2.33 1.08 -1.80 -3.19 115.11 114.28 3dmr h GLN 332 Ca 0.51 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.68 3dmr h GLN 332 Cb 0.99 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 3dmr h GLN 332 CO -0.25 0.49 -0.20 0.00 -0.95 0.00 0.00 178.83 177.92 3dmr h ALA 333 N 1.51 -0.28 0.00 3.87 0.00 -1.67 0.23 119.26 122.91 3dmr h ALA 333 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3dmr h ALA 333 Cb 0.74 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dmr h ALA 333 CO 0.06 -0.71 -0.74 0.45 0.00 0.00 0.00 179.25 178.31 3dmr h HIS 334 N -0.34 0.00 -0.36 0.00 3.86 -1.75 -2.55 115.15 114.01 3dmr h HIS 334 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3dmr h HIS 334 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3dmr h HIS 334 CO -0.23 0.36 0.04 2.35 0.86 0.00 0.00 177.93 181.31 3dmr h TRP 335 N 0.00 0.64 -0.24 2.45 2.91 -1.51 -1.61 115.95 118.60 3dmr h TRP 335 Ca -0.05 -0.09 -0.11 0.00 1.13 0.00 0.00 58.89 59.77 3dmr h TRP 335 Cb 1.31 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.78 3dmr h TRP 335 CO 0.00 0.67 -0.34 1.98 -1.03 0.00 0.00 178.44 179.72 3dmr h MET 336 N 0.43 0.51 -0.86 2.65 4.05 -0.56 -2.17 114.93 118.98 3dmr h MET 336 Ca 0.11 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 3dmr h MET 336 Cb 0.38 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 3dmr h MET 336 CO 0.01 0.78 0.49 1.25 0.23 0.00 0.00 176.91 179.67 3dmr h LEU 337 N 0.43 1.06 -0.49 3.39 5.85 -1.23 0.22 115.31 124.54 3dmr h LEU 337 Ca 0.05 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 3dmr h LEU 337 Cb 0.79 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3dmr h LEU 337 CO 0.06 0.84 -0.20 0.58 -0.34 0.00 0.00 178.44 179.38 3dmr h VAL 338 N 1.19 1.27 -0.21 1.05 2.07 -1.16 0.14 116.25 120.61 3dmr h VAL 338 Ca 0.30 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3dmr h VAL 338 Cb 0.00 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3dmr h VAL 338 CO -0.05 0.47 0.12 0.74 0.02 0.00 0.00 177.57 178.87 3dmr h THR 339 N 0.86 1.10 -0.22 2.57 2.02 -0.80 0.43 112.91 118.87 3dmr h THR 339 Ca 0.11 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.05 3dmr h THR 339 Cb 0.78 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3dmr h THR 339 CO 0.07 0.09 0.14 0.25 0.37 0.00 0.00 175.52 176.43 3dmr h LEU 340 N 0.24 0.23 -0.87 2.58 5.85 -0.41 -1.93 115.31 120.99 3dmr h LEU 340 Ca 0.07 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.94 3dmr h LEU 340 Cb 0.05 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 3dmr h LEU 340 CO -0.01 0.17 0.46 0.00 -0.34 0.00 0.00 178.44 178.71 3dmr h ALA 341 N 1.09 1.32 -0.61 1.25 0.00 -0.12 -1.49 119.26 120.71 3dmr h ALA 341 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dmr h ALA 341 Cb -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3dmr h ALA 341 CO -0.03 -0.07 0.40 0.77 0.00 0.00 0.00 179.25 180.31 3dmr h SER 342 N 0.65 0.71 -0.14 0.00 0.02 0.59 -2.65 113.55 112.73 3dmr h SER 342 Ca 0.47 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.36 3dmr h SER 342 Cb 0.67 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3dmr h SER 342 CO -0.36 0.52 -0.01 0.24 -1.14 0.00 0.00 176.83 176.08 3dmr h MET 343 N 0.83 0.38 0.00 3.45 2.07 -0.73 -2.42 114.93 118.50 3dmr h MET 343 Ca 0.22 -0.07 -0.11 0.00 -2.07 0.00 0.00 59.70 57.67 3dmr h MET 343 Cb -0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 3dmr h MET 343 CO -0.05 0.41 -0.53 -0.07 1.07 0.00 0.00 176.91 177.74 3dmr h LEU 344 N 0.37 0.00 0.51 1.22 3.38 -1.11 -1.02 115.31 118.66 3dmr h LEU 344 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3dmr h LEU 344 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3dmr h LEU 344 CO 0.01 0.53 -0.11 0.61 0.09 0.00 0.00 178.44 179.57 3dmr n GLY 345 N 0.11 0.37 0.80 0.83 0.00 -0.91 -4.70 105.19 101.69 3dmr n GLY 345 Ca -0.01 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.35 3dmr n GLY 345 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dmr n GLN 346 N -1.93 1.84 -1.69 1.61 6.02 -1.26 -4.98 117.38 116.99 3dmr n GLN 346 Ca -0.05 -1.79 -0.43 0.00 -0.01 0.00 0.00 57.00 54.72 3dmr n GLN 346 Cb 0.41 -1.37 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 3dmr n GLN 346 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3dmr n ILE 347 N 1.05 0.29 -0.54 5.09 5.41 -1.26 -1.67 119.36 127.72 3dmr n ILE 347 Ca 0.13 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3dmr n ILE 347 Cb 0.47 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 3dmr n ILE 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dmr n GLY 348 N 4.10 0.74 3.84 7.39 0.00 -1.25 -4.80 105.19 115.21 3dmr n GLY 348 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3dmr n GLY 348 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dmr s LEU 349 N 0.00 4.09 -0.00 0.99 1.43 -0.67 -4.14 118.68 120.38 3dmr s LEU 349 Ca 0.00 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.96 3dmr s LEU 349 Cb 0.00 -2.61 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 3dmr s LEU 349 CO 0.00 0.21 1.96 -2.65 0.23 0.00 0.00 176.35 176.09 3dmr n PRO 350 N 0.63 2.67 -0.39 1.29 -0.02 -1.26 -1.58 135.00 136.34 3dmr n PRO 350 Ca -0.09 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3dmr n PRO 350 Cb 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3dmr n PRO 350 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmr n GLY 351 N 4.55 1.57 3.70 -1.23 0.00 -1.26 -4.70 105.19 107.81 3dmr n GLY 351 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3dmr n GLY 351 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dmr s GLY 352 N -1.88 2.61 0.00 -0.02 0.00 -0.62 -3.84 107.32 103.58 3dmr s GLY 352 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.04 3dmr s GLY 352 CO 0.00 -2.08 0.00 0.61 0.00 0.00 0.00 173.10 171.63 3dmr n GLY 353 N -1.15 0.66 3.25 0.20 0.00 -0.93 -4.42 105.19 102.80 3dmr n GLY 353 Ca -0.08 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 3dmr n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dmr s PHE 354 N 0.00 0.24 -0.14 1.61 -0.71 -1.26 -1.78 117.98 115.93 3dmr s PHE 354 Ca 0.00 -0.65 -0.08 0.00 -1.04 0.00 0.00 56.93 55.16 3dmr s PHE 354 Cb 0.00 -0.06 0.05 0.00 -1.21 0.00 0.00 43.02 41.80 3dmr s PHE 354 CO 0.00 -0.61 0.34 0.20 -1.34 0.00 0.00 175.22 173.82 3dmr s GLY 355 N -2.90 -0.25 0.00 1.99 0.00 -0.00 -4.88 107.32 101.27 3dmr s GLY 355 Ca 0.09 1.28 0.18 0.00 0.00 0.00 0.00 44.72 46.27 3dmr s GLY 355 CO -0.07 1.44 1.27 1.04 0.00 0.00 0.00 173.10 176.79 3dmr n LEU 356 N 4.12 3.09 -0.97 0.66 4.77 -1.26 -1.90 117.00 125.51 3dmr n LEU 356 Ca -0.23 -1.59 0.04 0.00 -0.03 0.00 0.00 56.01 54.21 3dmr n LEU 356 Cb 0.55 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 3dmr n LEU 356 CO 0.11 0.70 0.22 -0.24 -1.33 0.00 0.00 177.39 176.84 3dmr n SER 357 N 1.10 1.14 0.20 -1.43 2.88 -1.26 -4.82 113.62 111.41 3dmr n SER 357 Ca 0.15 -2.59 0.14 0.00 -1.33 0.00 0.00 58.87 55.24 3dmr n SER 357 Cb 0.50 -0.35 0.49 0.00 -0.75 0.00 0.00 64.21 64.09 3dmr n SER 357 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3dmr h TYR 358 N 0.74 0.00 -0.02 0.66 0.05 -1.80 -2.89 116.97 113.71 3dmr h TYR 358 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.67 3dmr h TYR 358 Cb 1.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.24 3dmr h TYR 358 CO 0.30 0.00 -0.35 -2.39 -1.05 0.00 0.00 178.16 174.67 3dmr n HIS 359 N -2.71 0.00 -4.87 4.88 1.44 -1.26 -4.68 115.22 108.02 3dmr n HIS 359 Ca 0.02 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.43 3dmr n HIS 359 Cb 0.35 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.29 3dmr n HIS 359 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 3dmr s TYR 360 N -2.28 2.33 -1.75 -1.40 5.04 -1.09 -3.84 117.35 114.35 3dmr s TYR 360 Ca 0.20 -1.03 -0.17 0.00 -2.44 0.00 0.00 57.07 53.63 3dmr s TYR 360 Cb 0.18 -1.59 0.16 0.00 0.35 0.00 0.00 41.96 41.06 3dmr s TYR 360 CO 0.49 -0.46 0.53 0.43 -1.34 0.00 0.00 175.55 175.20 3dmr n SER 361 N 3.81 -1.63 -0.36 4.32 7.64 -1.26 -1.86 113.62 124.27 3dmr n SER 361 Ca -0.20 -1.18 -0.05 0.00 1.01 0.00 0.00 58.87 58.46 3dmr n SER 361 Cb 0.52 -1.99 -0.02 0.00 -1.01 0.00 0.00 64.21 61.71 3dmr n SER 361 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dmr n GLY 362 N -1.47 0.75 3.64 0.23 0.00 -1.26 -4.23 105.19 102.85 3dmr n GLY 362 Ca 0.00 -0.78 -0.50 0.00 0.00 0.00 0.00 46.02 44.75 3dmr n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmr n GLY 363 N -2.35 0.88 0.00 -0.02 0.00 -0.78 -1.01 105.19 101.92 3dmr n GLY 363 Ca -0.05 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.70 3dmr n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmr n GLY 364 N 3.25 1.80 3.68 -0.02 0.00 -1.26 -4.53 105.19 108.11 3dmr n GLY 364 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3dmr n GLY 364 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dmr s THR 365 N -2.36 4.04 0.10 2.61 2.01 -0.18 -1.17 115.64 120.68 3dmr s THR 365 Ca 0.00 1.35 -0.36 0.00 0.31 0.00 0.00 61.69 62.99 3dmr s THR 365 Cb 0.00 -3.87 -0.16 0.00 0.01 0.00 0.00 72.50 68.47 3dmr s THR 365 CO 0.00 -0.04 1.33 -2.65 -0.69 0.00 0.00 174.62 172.58 3dmr n PRO 366 N 5.70 1.19 -2.70 4.92 -0.02 -1.26 -4.07 135.00 138.75 3dmr n PRO 366 Ca 0.13 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 3dmr n PRO 366 Cb 0.45 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3dmr n PRO 366 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3dmr s SER 367 N 0.45 7.17 0.83 2.55 0.01 -1.26 -4.56 113.70 118.89 3dmr s SER 367 Ca 0.83 1.91 -0.05 0.00 1.31 0.00 0.00 55.95 59.95 3dmr s SER 367 Cb -0.93 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 62.81 3dmr s SER 367 CO 0.47 -0.19 0.61 0.35 0.41 0.00 0.00 173.24 174.89 3dmr n THR 368 N 0.39 0.00 -0.08 1.44 -2.24 0.14 -4.11 114.28 109.82 3dmr n THR 368 Ca 0.03 -0.62 0.09 0.00 -2.27 0.00 0.00 64.05 61.27 3dmr n THR 368 Cb 0.50 -1.50 0.20 0.00 -2.10 0.00 0.00 70.33 67.43 3dmr n THR 368 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dmr n SER 369 N -3.24 3.24 -4.64 3.42 3.41 -0.57 -4.92 113.62 110.32 3dmr n SER 369 Ca 0.08 -1.94 -0.31 0.00 -0.26 0.00 0.00 58.87 56.44 3dmr n SER 369 Cb 0.30 -0.29 0.18 0.00 -0.26 0.00 0.00 64.21 64.14 3dmr n SER 369 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dmr n GLY 370 N 1.06 -0.61 3.83 5.00 0.00 -1.26 -4.94 105.19 108.26 3dmr n GLY 370 Ca 0.16 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 3dmr n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dmr s PRO 371 N -4.60 1.28 0.06 1.61 0.04 -1.26 -5.06 135.00 127.08 3dmr s PRO 371 Ca 0.67 0.17 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 3dmr s PRO 371 Cb -0.23 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3dmr s PRO 371 CO 0.59 -2.07 0.46 0.00 0.04 0.00 0.00 177.00 176.02 3dmr s ALA 372 N -3.41 3.66 -0.17 8.56 0.00 -1.26 -5.05 121.76 124.08 3dmr s ALA 372 Ca 0.64 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 3dmr s ALA 372 Cb -0.13 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3dmr s ALA 372 CO 0.52 0.48 0.10 -1.17 0.00 0.00 0.00 175.76 175.70 3dmr s LEU 373 N -1.49 4.07 0.44 0.00 2.96 -1.26 -4.62 118.68 118.79 3dmr s LEU 373 Ca 0.30 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 3dmr s LEU 373 Cb -0.16 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3dmr s LEU 373 CO 0.17 0.23 0.39 0.00 -1.32 0.00 0.00 176.35 175.82 3dmr s ALA 374 N 0.06 4.12 0.18 5.97 0.00 -1.26 -5.03 121.76 125.79 3dmr s ALA 374 Ca 0.08 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 3dmr s ALA 374 Cb -0.12 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.06 3dmr s ALA 374 CO -0.00 -0.29 0.30 0.41 0.00 0.00 0.00 175.76 176.19 3dmr n GLY 375 N -1.60 2.08 3.74 0.00 0.00 -1.26 -4.82 105.19 103.32 3dmr n GLY 375 Ca 0.03 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 3dmr n GLY 375 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dmr n ILE 376 N -0.27 3.21 -4.13 -0.61 3.06 -0.85 -5.02 119.36 114.75 3dmr n ILE 376 Ca -0.02 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.48 3dmr n ILE 376 Cb 0.28 -1.69 -0.07 0.00 0.54 0.00 0.00 39.64 38.71 3dmr n ILE 376 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3dmr s THR 377 N -1.25 2.17 -1.69 9.51 -4.23 -1.26 -4.99 115.64 113.90 3dmr s THR 377 Ca 0.66 -1.69 0.27 0.00 -1.18 0.00 0.00 61.69 59.75 3dmr s THR 377 Cb -0.45 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 70.81 3dmr s THR 377 CO 0.54 0.00 1.59 -0.90 -0.54 0.00 0.00 174.62 175.31 3dmr n ASP 378 N -1.30 0.93 0.00 3.99 5.68 -1.26 -4.76 116.55 119.83 3dmr n ASP 378 Ca -0.02 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 3dmr n ASP 378 Cb 0.65 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 3dmr n ASP 378 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dmr n GLY 379 N 1.34 2.46 0.49 6.12 0.00 -1.26 -4.14 105.19 110.21 3dmr n GLY 379 Ca 0.12 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.45 3dmr n GLY 379 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dmr h GLY 380 N 0.00 0.02 1.81 -0.02 0.00 -1.95 -0.41 103.07 102.52 3dmr h GLY 380 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dmr h GLY 380 CO 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3dmr n ALA 381 N -2.73 2.08 -2.63 3.60 0.00 -1.26 -3.23 120.51 116.33 3dmr n ALA 381 Ca 0.21 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 3dmr n ALA 381 Cb 1.08 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 19.19 3dmr n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmr n ALA 382 N -1.40 3.61 -2.93 0.00 0.00 -0.17 -5.02 120.51 114.60 3dmr n ALA 382 Ca 0.08 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.23 3dmr n ALA 382 Cb 0.22 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3dmr n ALA 382 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dmr n THR 383 N -0.24 0.00 0.00 0.00 -2.24 -1.20 -5.07 114.28 105.54 3dmr n THR 383 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3dmr n THR 383 Cb 0.80 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3dmr n THR 383 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3dmr n LYS 384 N 0.00 0.00 0.00 -0.78 0.00 -1.26 -5.13 118.16 110.98 3dmr n LYS 384 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3dmr n LYS 384 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3dmr n LYS 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3dmr n GLY 385 N 0.00 -0.77 3.73 3.14 0.00 -1.26 -4.95 105.19 105.08 3dmr n GLY 385 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3dmr n GLY 385 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dmr s PRO 386 N 0.00 2.38 -0.57 1.61 0.02 -1.26 -4.96 135.00 132.22 3dmr s PRO 386 Ca 0.00 1.75 -0.20 0.00 0.02 0.00 0.00 61.00 62.57 3dmr s PRO 386 Cb 0.00 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.73 3dmr s PRO 386 CO 0.00 -1.65 0.76 -1.21 -0.33 0.00 0.00 177.00 174.57 3dmr s GLU 387 N -3.79 3.12 0.21 5.54 2.02 -1.26 -5.03 118.70 119.52 3dmr s GLU 387 Ca 0.75 -0.92 0.08 0.00 0.02 0.00 0.00 54.97 54.89 3dmr s GLU 387 Cb -0.29 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 29.73 3dmr s GLU 387 CO 0.42 -1.47 0.02 -0.46 0.02 0.00 0.00 175.26 173.80 3dmr s TRP 388 N 3.10 2.84 -0.20 1.61 -0.11 -1.26 -5.11 118.94 119.81 3dmr s TRP 388 Ca 0.17 -0.15 -0.29 0.00 1.22 0.00 0.00 56.10 57.05 3dmr s TRP 388 Cb -0.19 -1.34 0.14 0.00 -1.50 0.00 0.00 33.47 30.58 3dmr s TRP 388 CO 0.11 0.54 1.08 -0.48 -4.62 0.00 0.00 176.95 173.58 3dmr s LEU 389 N -3.23 -0.31 0.78 5.86 2.34 -1.26 -5.14 118.68 117.71 3dmr s LEU 389 Ca 0.29 0.38 -0.17 0.00 0.06 0.00 0.00 54.13 54.69 3dmr s LEU 389 Cb -0.08 1.71 -0.14 0.00 -0.56 0.00 0.00 46.19 47.11 3dmr s LEU 389 CO 0.20 -0.26 -0.42 0.00 -1.06 0.00 0.00 176.35 174.81 3dmr n ALA 390 N 0.90 -4.21 0.00 1.48 0.00 -1.26 -4.07 120.51 113.34 3dmr n ALA 390 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3dmr n ALA 390 Cb 0.58 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3dmr n ALA 390 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmr n ALA 391 N -2.12 -1.07 0.00 0.00 0.00 -1.26 -4.73 120.51 111.33 3dmr n ALA 391 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3dmr n ALA 391 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3dmr n ALA 391 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dmr n SER 392 N -0.53 0.00 0.00 0.00 7.64 -1.26 -4.76 113.62 114.71 3dmr n SER 392 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3dmr n SER 392 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3dmr n SER 392 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dmr n GLY 393 N 0.00 0.59 3.76 0.23 0.00 -1.26 -4.19 105.19 104.33 3dmr n GLY 393 Ca 0.00 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 3dmr n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmr s ALA 394 N -1.74 2.90 -1.40 4.61 0.00 0.56 -4.65 121.76 122.04 3dmr s ALA 394 Ca 0.00 1.28 0.24 0.00 0.00 0.00 0.00 51.96 53.49 3dmr s ALA 394 Cb 0.00 -3.54 0.40 0.00 0.00 0.00 0.00 23.12 19.98 3dmr s ALA 394 CO 0.00 -1.22 1.34 -1.13 0.00 0.00 0.00 175.76 174.75 3dmr n SER 395 N -0.81 0.97 -3.76 0.00 3.41 -1.26 -4.38 113.62 107.79 3dmr n SER 395 Ca 0.09 -0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 57.79 3dmr n SER 395 Cb 0.45 0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 64.61 3dmr n SER 395 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dmr s VAL 396 N -2.76 -0.05 0.12 -3.33 1.01 -1.26 -1.67 120.40 112.46 3dmr s VAL 396 Ca 0.16 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.43 3dmr s VAL 396 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 3dmr s VAL 396 CO 0.65 0.08 -0.21 0.27 0.00 0.00 0.00 175.10 175.89 3dmr s ILE 397 N 1.10 1.82 0.22 2.22 -4.36 -1.02 -4.97 121.20 116.20 3dmr s ILE 397 Ca -0.09 -1.65 -0.31 0.00 -0.26 0.00 0.00 60.65 58.34 3dmr s ILE 397 Cb -0.12 -1.68 -0.11 0.00 1.25 0.00 0.00 42.46 41.80 3dmr s ILE 397 CO -0.04 -0.09 1.60 -2.84 0.24 0.00 0.00 174.94 173.81 3dmr s PRO 398 N -2.10 4.18 0.27 0.37 0.02 -1.26 -1.30 135.00 135.18 3dmr s PRO 398 Ca 0.09 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.57 3dmr s PRO 398 Cb -0.09 -3.10 0.61 0.00 0.02 0.00 0.00 34.50 31.94 3dmr s PRO 398 CO 0.05 -0.62 1.63 -0.39 -0.33 0.00 0.00 177.00 177.33 3dmr h VAL 399 N 3.75 0.27 0.00 3.83 -1.51 -1.62 -1.30 116.25 119.67 3dmr h VAL 399 Ca -0.44 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3dmr h VAL 399 Cb 1.21 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3dmr h VAL 399 CO 0.88 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 177.24 3dmr n ALA 400 N -2.88 1.97 -0.52 5.19 0.00 -1.26 -3.13 120.51 119.88 3dmr n ALA 400 Ca 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.55 3dmr n ALA 400 Cb 0.61 -1.28 0.29 0.00 0.00 0.00 0.00 19.45 19.06 3dmr n ALA 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dmr n ARG 401 N -1.26 3.70 -0.29 0.00 5.12 -0.49 -4.54 116.66 118.91 3dmr n ARG 401 Ca 0.09 -2.44 -0.05 0.00 -1.93 0.00 0.00 57.85 53.51 3dmr n ARG 401 Cb 0.13 -2.07 0.07 0.00 -1.16 0.00 0.00 32.46 29.43 3dmr n ARG 401 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3dmr h VAL 402 N 2.72 1.25 -0.09 1.55 3.04 -1.73 -1.35 116.25 121.63 3dmr h VAL 402 Ca 0.09 -0.70 -0.24 0.00 -1.01 0.00 0.00 66.70 64.84 3dmr h VAL 402 Cb 1.80 0.24 0.01 0.00 -2.01 0.00 0.00 31.29 31.33 3dmr h VAL 402 CO 0.47 0.30 -0.88 0.58 -1.01 0.00 0.00 177.57 177.02 3dmr h VAL 403 N 1.13 1.28 -0.70 1.51 2.07 -1.90 -2.50 116.25 117.14 3dmr h VAL 403 Ca 0.27 -2.08 0.10 0.00 0.82 0.00 0.00 66.70 65.81 3dmr h VAL 403 Cb 0.11 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 3dmr h VAL 403 CO -0.04 0.65 0.33 0.44 0.02 0.00 0.00 177.57 178.98 3dmr h ASP 404 N 0.49 0.41 -0.00 0.57 3.32 -1.85 -0.92 116.42 118.44 3dmr h ASP 404 Ca -0.08 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dmr h ASP 404 Cb 1.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 3dmr h ASP 404 CO 0.18 0.23 -0.05 -0.03 -1.72 0.00 0.00 179.24 177.85 3dmr h MET 405 N 0.56 -0.08 -0.72 3.56 4.05 -1.18 0.87 114.93 121.99 3dmr h MET 405 Ca 0.35 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.82 3dmr h MET 405 Cb 0.39 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.15 3dmr h MET 405 CO -0.28 -0.06 0.43 -0.07 0.23 0.00 0.00 176.91 177.16 3dmr h LEU 406 N -0.09 0.67 -0.68 3.39 3.38 -0.90 -2.63 115.31 118.45 3dmr h LEU 406 Ca 0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3dmr h LEU 406 Cb 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3dmr h LEU 406 CO -0.05 0.44 -0.56 -0.33 0.09 0.00 0.00 178.44 178.02 3dmr h GLU 407 N 0.80 0.00 -2.11 1.13 5.08 -0.98 -3.39 114.58 115.12 3dmr h GLU 407 Ca 0.31 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.11 3dmr h GLU 407 Cb 0.12 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.96 3dmr h GLU 407 CO -0.15 0.56 -0.89 0.09 -1.00 0.00 0.00 179.01 177.62 3dmr n ASN 408 N -3.61 2.21 -4.71 1.42 3.02 0.28 -5.08 115.26 108.78 3dmr n ASN 408 Ca -0.00 -3.18 -0.42 0.00 -0.03 0.00 0.00 54.58 50.95 3dmr n ASN 408 Cb 0.62 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3dmr n ASN 408 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3dmr s PRO 409 N -2.30 4.19 0.00 3.52 0.02 -1.17 -1.79 135.00 137.46 3dmr s PRO 409 Ca 0.40 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.86 3dmr s PRO 409 Cb 0.23 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.56 3dmr s PRO 409 CO -0.08 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 3dmr n GLY 410 N 3.85 3.13 3.75 0.52 0.00 0.03 -4.97 105.19 111.49 3dmr n GLY 410 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3dmr n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmr s ALA 411 N -2.19 2.20 0.31 4.61 0.00 -0.74 -4.46 121.76 121.49 3dmr s ALA 411 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 3dmr s ALA 411 Cb 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 3dmr s ALA 411 CO 0.00 -1.74 0.61 -1.21 0.00 0.00 0.00 175.76 173.42 3dmr s GLU 412 N -4.32 3.68 0.04 0.00 2.02 -1.26 -0.88 118.70 117.96 3dmr s GLU 412 Ca 0.67 0.13 -0.04 0.00 0.02 0.00 0.00 54.97 55.75 3dmr s GLU 412 Cb -0.22 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 3dmr s GLU 412 CO 0.48 0.16 0.06 -0.59 0.02 0.00 0.00 175.26 175.39 3dmr s PHE 413 N -2.14 0.24 0.12 1.61 -0.71 0.10 -4.93 117.98 112.28 3dmr s PHE 413 Ca 0.46 -0.56 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 3dmr s PHE 413 Cb -0.11 -0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 3dmr s PHE 413 CO 0.30 -0.34 0.29 -0.51 -1.34 0.00 0.00 175.22 173.61 3dmr s ASP 414 N -2.10 6.37 -0.30 1.98 1.01 -1.26 -1.68 116.67 120.69 3dmr s ASP 414 Ca -0.05 0.30 -0.11 0.00 0.71 0.00 0.00 52.55 53.39 3dmr s ASP 414 Cb -0.02 -1.97 0.17 0.00 1.01 0.00 0.00 42.92 42.12 3dmr s ASP 414 CO -0.04 0.08 0.89 0.12 0.21 0.00 0.00 175.17 176.43 3dmr s PHE 415 N -1.66 -0.89 -1.53 4.23 5.36 -0.78 -4.85 117.98 117.85 3dmr s PHE 415 Ca 0.36 1.23 -0.05 0.00 -0.96 0.00 0.00 56.93 57.52 3dmr s PHE 415 Cb -0.12 0.42 0.04 0.00 -0.34 0.00 0.00 43.02 43.02 3dmr s PHE 415 CO 0.28 -0.47 0.37 -1.71 -1.46 0.00 0.00 175.22 172.24 3dmr n ASN 416 N 5.26 -0.56 0.00 6.13 5.15 0.03 -1.42 115.26 129.84 3dmr n ASN 416 Ca -0.07 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 3dmr n ASN 416 Cb 0.52 -2.50 0.00 0.00 -0.53 0.00 0.00 39.78 37.28 3dmr n ASN 416 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dmr n GLY 417 N -2.00 1.06 3.55 8.20 0.00 -1.26 -5.05 105.19 109.69 3dmr n GLY 417 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3dmr n GLY 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dmr s THR 418 N -2.74 2.43 -0.10 2.61 -4.23 -0.51 -5.06 115.64 108.04 3dmr s THR 418 Ca 0.00 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 3dmr s THR 418 Cb 0.00 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3dmr s THR 418 CO 0.00 -0.25 -0.21 -0.13 -0.54 0.00 0.00 174.62 173.49 3dmr s ARG 419 N -3.62 2.73 0.26 3.99 0.52 -1.26 -1.87 118.95 119.71 3dmr s ARG 419 Ca 0.32 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 3dmr s ARG 419 Cb 0.00 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 3dmr s ARG 419 CO 0.17 0.12 0.12 -1.12 0.02 0.00 0.00 175.30 174.61 3dmr s SER 420 N 0.47 1.16 0.10 0.23 0.01 -0.68 -4.96 113.70 110.03 3dmr s SER 420 Ca -0.17 -1.44 0.05 0.00 1.31 0.00 0.00 55.95 55.71 3dmr s SER 420 Cb -0.17 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 3dmr s SER 420 CO 0.07 -0.79 0.00 -0.54 0.41 0.00 0.00 173.24 172.39 3dmr s LYS 421 N -3.99 2.53 0.06 12.44 1.02 -1.26 -0.72 119.74 129.83 3dmr s LYS 421 Ca 0.37 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 3dmr s LYS 421 Cb 0.07 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 3dmr s LYS 421 CO 0.15 0.53 0.96 -0.06 -0.92 0.00 0.00 175.35 176.01 3dmr s PHE 422 N -1.36 3.75 0.84 3.18 0.08 -0.06 -0.32 117.98 124.07 3dmr s PHE 422 Ca 0.26 1.75 -0.12 0.00 0.12 0.00 0.00 56.93 58.94 3dmr s PHE 422 Cb -0.11 -3.07 0.09 0.00 -0.57 0.00 0.00 43.02 39.36 3dmr s PHE 422 CO 0.18 0.12 1.10 -1.25 -0.10 0.00 0.00 175.22 175.27 3dmr s PRO 423 N 0.41 1.75 -0.97 0.24 0.04 -1.26 -0.79 135.00 134.42 3dmr s PRO 423 Ca 0.49 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 3dmr s PRO 423 Cb -0.22 -1.88 0.24 0.00 0.04 0.00 0.00 34.50 32.68 3dmr s PRO 423 CO 0.29 -1.86 0.90 0.34 0.04 0.00 0.00 177.00 176.71 3dmr s ASP 424 N -3.78 6.63 0.23 6.66 -1.08 -1.26 -4.50 116.67 119.56 3dmr s ASP 424 Ca 0.62 -3.49 -0.30 0.00 -0.52 0.00 0.00 52.55 48.86 3dmr s ASP 424 Cb -0.15 -2.07 -0.09 0.00 -1.46 0.00 0.00 42.92 39.14 3dmr s ASP 424 CO 0.55 -0.29 1.21 -0.69 0.52 0.00 0.00 175.17 176.48 3dmr s VAL 425 N -1.05 3.34 -0.01 1.11 1.01 -1.24 -4.16 120.40 119.41 3dmr s VAL 425 Ca 0.27 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.46 3dmr s VAL 425 Cb -0.10 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3dmr s VAL 425 CO -0.09 0.23 0.02 0.29 0.00 0.00 0.00 175.10 175.55 3dmr n LYS 426 N 1.96 1.05 -4.02 2.72 4.76 0.99 -4.81 118.16 120.81 3dmr n LYS 426 Ca 0.03 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 3dmr n LYS 426 Cb 0.44 -0.95 -0.14 0.00 -1.84 0.00 0.00 35.03 32.54 3dmr n LYS 426 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3dmr s MET 427 N -1.91 0.27 -0.04 1.97 1.75 -0.24 -1.01 119.30 120.09 3dmr s MET 427 Ca -0.00 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.23 3dmr s MET 427 Cb 0.01 -0.19 0.00 0.00 2.84 0.00 0.00 34.83 37.49 3dmr s MET 427 CO 0.04 0.05 -0.12 0.00 -0.65 0.00 0.00 175.02 174.34 3dmr s ALA 428 N -0.38 1.13 -0.22 4.11 0.00 -0.95 -1.07 121.76 124.38 3dmr s ALA 428 Ca -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3dmr s ALA 428 Cb -0.03 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.70 3dmr s ALA 428 CO -0.00 0.17 -0.14 -0.47 0.00 0.00 0.00 175.76 175.32 3dmr s TYR 429 N 0.27 3.03 -0.12 0.00 6.14 -1.11 -1.95 117.35 123.61 3dmr s TYR 429 Ca -0.06 -1.91 0.03 0.00 0.64 0.00 0.00 57.07 55.77 3dmr s TYR 429 Cb -0.11 -1.95 0.01 0.00 0.42 0.00 0.00 41.96 40.33 3dmr s TYR 429 CO 0.02 -0.83 -0.23 -0.46 0.64 0.00 0.00 175.55 174.69 3dmr s TRP 430 N 1.22 2.60 0.03 4.97 -0.11 0.40 -4.45 118.94 123.59 3dmr s TRP 430 Ca -0.02 -1.21 0.04 0.00 1.22 0.00 0.00 56.10 56.13 3dmr s TRP 430 Cb -0.16 -1.76 -0.02 0.00 -1.50 0.00 0.00 33.47 30.03 3dmr s TRP 430 CO -0.08 -0.53 -0.13 0.14 -4.62 0.00 0.00 176.95 171.73 3dmr s VAL 431 N 0.63 0.99 -1.68 5.86 -7.23 -1.26 -2.21 120.40 115.49 3dmr s VAL 431 Ca -0.12 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3dmr s VAL 431 Cb -0.16 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.88 3dmr s VAL 431 CO 0.02 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 3dmr n GLY 432 N 2.08 0.06 3.26 2.32 0.00 -1.25 -4.67 105.19 106.98 3dmr n GLY 432 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3dmr n GLY 432 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dmr s GLY 433 N -2.18 0.84 -0.44 -0.02 0.00 -1.26 -1.48 107.32 102.80 3dmr s GLY 433 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.54 3dmr s GLY 433 CO 0.00 -1.13 0.54 -2.01 0.00 0.00 0.00 173.10 170.50 3dmr n ASN 434 N -0.18 0.71 0.25 1.64 5.15 -1.26 -4.97 115.26 116.60 3dmr n ASN 434 Ca -0.05 -2.79 0.14 0.00 -0.60 0.00 0.00 54.58 51.29 3dmr n ASN 434 Cb 0.64 -0.64 0.83 0.00 -0.53 0.00 0.00 39.78 40.07 3dmr n ASN 434 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3dmr h PRO 435 N 4.19 0.00 -0.15 1.20 0.13 -1.95 0.14 132.00 135.56 3dmr h PRO 435 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dmr h PRO 435 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3dmr h PRO 435 CO 0.51 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.47 3dmr n PHE 436 N -4.01 0.00 0.00 1.56 3.01 -1.26 -1.68 117.46 115.08 3dmr n PHE 436 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3dmr n PHE 436 Cb 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 3dmr n PHE 436 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3dmr n VAL 437 N -0.41 0.00 0.17 -4.37 0.31 -0.50 -4.65 118.33 108.88 3dmr n VAL 437 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 3dmr n VAL 437 Cb 0.04 -0.40 0.10 0.00 -0.91 0.00 0.00 33.84 32.67 3dmr n VAL 437 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 3dmr h HIS 438 N 0.00 0.00 -3.44 3.52 2.07 -0.76 -3.44 115.15 113.11 3dmr h HIS 438 Ca 0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 3dmr h HIS 438 Cb 0.31 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.26 3dmr h HIS 438 CO 0.00 0.30 -0.09 -1.58 -3.07 0.00 0.00 177.93 173.49 3dmr s HIS 439 N -3.09 3.46 0.54 6.12 5.04 -0.68 -5.02 115.29 121.67 3dmr s HIS 439 Ca 0.05 0.95 -0.16 0.00 -1.54 0.00 0.00 55.06 54.35 3dmr s HIS 439 Cb 0.07 -2.31 -0.07 0.00 0.04 0.00 0.00 32.58 30.31 3dmr s HIS 439 CO 0.71 0.29 1.01 -0.65 -2.34 0.00 0.00 174.74 173.75 3dmr s GLN 440 N -2.65 3.77 -0.67 2.88 1.11 -1.26 -4.48 119.66 118.36 3dmr s GLN 440 Ca 0.46 1.01 -0.08 0.00 0.01 0.00 0.00 55.36 56.76 3dmr s GLN 440 Cb -0.12 -2.11 0.01 0.00 -1.01 0.00 0.00 33.01 29.79 3dmr s GLN 440 CO 0.20 -0.43 0.65 -3.47 0.01 0.00 0.00 175.29 172.25 3dmr n ASP 441 N -1.75 -6.57 -0.21 5.90 -0.08 -0.60 -4.66 116.55 108.57 3dmr n ASP 441 Ca 0.07 -0.26 0.02 0.00 -1.51 0.00 0.00 54.79 53.11 3dmr n ASP 441 Cb 0.54 -3.66 0.12 0.00 2.34 0.00 0.00 41.12 40.46 3dmr n ASP 441 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3dmr h ARG 442 N 0.73 0.30 -0.81 -0.67 9.65 -1.60 -2.43 114.38 119.54 3dmr h ARG 442 Ca -0.28 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 3dmr h ARG 442 Cb 1.19 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.66 3dmr h ARG 442 CO 0.29 0.20 0.46 -0.91 2.80 0.00 0.00 179.97 182.82 3dmr h ASN 443 N 0.31 1.00 -0.33 -3.80 2.35 -1.84 0.24 115.58 113.51 3dmr h ASN 443 Ca 0.33 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3dmr h ASN 443 Cb 0.49 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3dmr h ASN 443 CO -0.39 0.80 0.21 -0.09 -1.65 0.00 0.00 177.43 176.30 3dmr h ARG 444 N 1.12 0.45 -0.01 0.81 2.43 -1.79 -2.91 114.38 114.49 3dmr h ARG 444 Ca 0.29 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3dmr h ARG 444 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3dmr h ARG 444 CO -0.05 0.33 -0.51 1.98 -1.51 0.00 0.00 179.97 180.21 3dmr h MET 445 N 0.44 0.03 -0.77 0.20 4.05 -1.03 -1.94 114.93 115.91 3dmr h MET 445 Ca 0.12 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 3dmr h MET 445 Cb -0.01 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 3dmr h MET 445 CO -0.02 0.53 0.27 0.28 0.23 0.00 0.00 176.91 178.20 3dmr h VAL 446 N 0.02 1.26 -0.07 -5.77 2.07 -0.36 -2.03 116.25 111.37 3dmr h VAL 446 Ca -0.00 -0.87 -0.22 0.00 0.82 0.00 0.00 66.70 66.42 3dmr h VAL 446 Cb 0.91 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3dmr h VAL 446 CO 0.07 0.35 -0.85 0.50 0.02 0.00 0.00 177.57 177.65 3dmr h LYS 447 N 1.14 0.60 0.00 1.57 1.63 -1.30 -3.25 116.57 116.95 3dmr h LYS 447 Ca 0.25 -0.55 -0.05 0.00 -0.85 0.00 0.00 60.65 59.45 3dmr h LYS 447 Cb 0.27 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3dmr h LYS 447 CO -0.01 1.17 -0.25 0.00 -3.45 0.00 0.00 179.45 176.91 3dmr h ALA 448 N 0.66 1.16 0.00 5.00 0.00 -1.21 -2.75 119.26 122.12 3dmr h ALA 448 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dmr h ALA 448 Cb 1.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3dmr h ALA 448 CO 0.16 0.31 0.00 2.35 0.00 0.00 0.00 179.25 182.07 3dmr h TRP 449 N 0.00 0.00 0.00 0.00 2.91 -1.40 -2.53 115.95 114.93 3dmr h TRP 449 Ca -0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 3dmr h TRP 449 Cb 0.63 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.28 3dmr h TRP 449 CO 0.00 0.00 -0.01 0.93 -1.03 0.00 0.00 178.44 178.33 3dmr h GLU 450 N 0.00 0.00 0.00 2.65 5.08 -1.66 -1.46 114.58 119.20 3dmr h GLU 450 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dmr h GLU 450 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dmr h GLU 450 CO 0.00 0.01 0.00 -0.22 -1.00 0.00 0.00 179.01 177.80 3dmr h LYS 451 N 0.00 0.00 -5.89 2.33 3.64 -1.68 -3.43 116.57 111.54 3dmr h LYS 451 Ca -0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 3dmr h LYS 451 Cb 0.10 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 3dmr h LYS 451 CO 0.00 0.00 0.00 -0.51 -2.27 0.00 0.00 179.45 176.67 3dmr s LEU 452 N -5.63 4.29 0.06 5.20 1.43 -0.55 -4.83 118.68 118.65 3dmr s LEU 452 Ca 0.02 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.94 3dmr s LEU 452 Cb 0.09 -2.91 -0.12 0.00 0.03 0.00 0.00 46.19 43.28 3dmr s LEU 452 CO 0.49 -0.08 1.43 -0.33 0.23 0.00 0.00 176.35 178.09 3dmr h GLU 453 N 6.80 0.38 -4.84 1.70 5.08 -1.35 -3.45 114.58 118.89 3dmr h GLU 453 Ca -0.40 -0.16 -0.44 0.00 -1.00 0.00 0.00 59.36 57.36 3dmr h GLU 453 Cb 1.19 -0.02 -0.30 0.00 0.50 0.00 0.00 28.75 30.12 3dmr h GLU 453 CO 0.76 0.66 -0.79 0.99 -1.00 0.00 0.00 179.01 179.63 3dmr s THR 454 N -4.65 0.87 -0.13 1.13 2.01 -1.22 -4.80 115.64 108.84 3dmr s THR 454 Ca -0.14 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 3dmr s THR 454 Cb 0.06 -0.75 0.05 0.00 0.01 0.00 0.00 72.50 71.87 3dmr s THR 454 CO 0.75 0.26 0.03 0.12 -0.69 0.00 0.00 174.62 175.08 3dmr s PHE 455 N -0.08 0.70 -0.13 4.92 5.36 -1.26 -2.24 117.98 125.26 3dmr s PHE 455 Ca 0.01 -0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 55.53 3dmr s PHE 455 Cb -0.06 -0.86 -0.02 0.00 -0.34 0.00 0.00 43.02 41.74 3dmr s PHE 455 CO 0.00 -0.46 -0.07 0.08 -1.46 0.00 0.00 175.22 173.31 3dmr s VAL 456 N 1.96 3.63 -0.00 3.12 1.01 -0.82 -0.83 120.40 128.47 3dmr s VAL 456 Ca 0.02 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3dmr s VAL 456 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3dmr s VAL 456 CO -0.07 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.75 3dmr s VAL 457 N 0.06 0.99 -0.07 2.92 1.01 -0.65 -0.45 120.40 124.20 3dmr s VAL 457 Ca -0.02 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3dmr s VAL 457 Cb -0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3dmr s VAL 457 CO 0.03 0.24 -0.24 -1.00 0.00 0.00 0.00 175.10 174.13 3dmr s HIS 458 N -0.36 2.47 0.18 5.22 3.76 -0.94 -0.93 115.29 124.69 3dmr s HIS 458 Ca 0.04 -0.84 -0.24 0.00 -0.15 0.00 0.00 55.06 53.87 3dmr s HIS 458 Cb -0.05 -1.63 0.05 0.00 1.11 0.00 0.00 32.58 32.06 3dmr s HIS 458 CO -0.00 -0.29 0.91 0.34 -0.85 0.00 0.00 174.74 174.84 3dmr s ASP 459 N 0.03 -0.19 0.00 1.40 -1.08 -1.11 -3.80 116.67 111.93 3dmr s ASP 459 Ca -0.09 -0.45 0.10 0.00 -0.52 0.00 0.00 52.55 51.58 3dmr s ASP 459 Cb -0.15 0.54 -0.01 0.00 -1.46 0.00 0.00 42.92 41.84 3dmr s ASP 459 CO 0.06 -1.00 0.61 2.22 0.52 0.00 0.00 175.17 177.58 3dmr n PHE 460 N -0.47 0.00 -4.70 -5.34 1.16 -1.26 -1.29 117.46 105.56 3dmr n PHE 460 Ca -0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.27 3dmr n PHE 460 Cb 0.60 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.33 3dmr n PHE 460 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3dmr s GLN 461 N -1.39 1.41 -1.24 3.97 -1.52 -1.26 -1.39 119.66 118.24 3dmr s GLN 461 Ca 0.08 -0.88 -0.18 0.00 -1.95 0.00 0.00 55.36 52.43 3dmr s GLN 461 Cb 0.08 -1.49 -0.00 0.00 -0.22 0.00 0.00 33.01 31.38 3dmr s GLN 461 CO 0.26 0.39 1.97 0.91 -0.25 0.00 0.00 175.29 178.57 3dmr n TRP 462 N 2.02 3.50 -1.86 0.91 7.02 0.84 -4.85 117.44 125.02 3dmr n TRP 462 Ca -0.17 -2.49 -0.29 0.00 -1.02 0.00 0.00 57.50 53.53 3dmr n TRP 462 Cb 0.53 -2.45 0.08 0.00 -2.42 0.00 0.00 31.31 27.06 3dmr n TRP 462 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3dmr s THR 463 N 5.07 2.46 0.31 -0.99 -4.23 -1.26 -4.84 115.64 112.15 3dmr s THR 463 Ca 0.54 0.15 0.03 0.00 -1.18 0.00 0.00 61.69 61.24 3dmr s THR 463 Cb 0.09 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 71.10 3dmr s THR 463 CO 0.04 -0.19 1.87 -0.65 -0.54 0.00 0.00 174.62 175.15 3dmr h PRO 464 N -0.97 0.89 -0.36 3.99 0.11 -1.90 -0.89 132.00 132.87 3dmr h PRO 464 Ca -0.46 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3dmr h PRO 464 Cb 1.31 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3dmr h PRO 464 CO 0.65 0.59 0.21 1.15 -0.21 0.00 0.00 178.00 180.39 3dmr h THR 465 N 0.92 1.03 -0.38 -1.15 2.02 -1.92 -2.59 112.91 110.84 3dmr h THR 465 Ca 0.45 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.37 3dmr h THR 465 Cb 0.46 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3dmr h THR 465 CO -0.21 0.08 -0.22 0.00 0.37 0.00 0.00 175.52 175.54 3dmr h ALA 466 N 1.16 0.90 0.00 6.16 0.00 -1.55 -2.88 119.26 123.04 3dmr h ALA 466 Ca 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3dmr h ALA 466 Cb 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dmr h ALA 466 CO -0.07 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.71 3dmr h ARG 467 N 0.66 0.00 -0.08 0.00 3.08 -1.00 -2.42 114.38 114.62 3dmr h ARG 467 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3dmr h ARG 467 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3dmr h ARG 467 CO 0.06 0.10 0.00 0.72 -1.07 0.00 0.00 179.97 179.77 3dmr n HIS 468 N -3.67 0.08 -1.98 3.04 8.25 -1.00 -2.74 115.22 117.21 3dmr n HIS 468 Ca -0.02 -0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.09 3dmr n HIS 468 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3dmr n HIS 468 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dmr s ALA 469 N -1.92 3.05 -0.03 -1.41 0.00 -0.91 -4.55 121.76 116.00 3dmr s ALA 469 Ca 0.35 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 3dmr s ALA 469 Cb 0.20 -3.10 -0.32 0.00 0.00 0.00 0.00 23.12 19.91 3dmr s ALA 469 CO 0.31 -0.62 0.76 -0.44 0.00 0.00 0.00 175.76 175.76 3dmr h ASP 470 N -0.04 0.65 -3.19 0.00 3.32 -1.32 -3.42 116.42 112.42 3dmr h ASP 470 Ca -0.45 -0.90 -0.57 0.00 0.02 0.00 0.00 57.03 55.14 3dmr h ASP 470 Cb 1.19 -0.21 -0.37 0.00 0.22 0.00 0.00 39.33 40.16 3dmr h ASP 470 CO 0.61 1.75 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.44 3dmr s ILE 471 N -2.59 1.31 -0.23 0.35 1.01 -1.13 0.55 121.20 120.48 3dmr s ILE 471 Ca -0.14 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 3dmr s ILE 471 Cb 0.05 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 3dmr s ILE 471 CO 0.88 0.36 -0.02 -0.69 0.00 0.00 0.00 174.94 175.47 3dmr s VAL 472 N 1.58 3.58 -0.14 2.92 1.01 -0.35 -1.64 120.40 127.36 3dmr s VAL 472 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3dmr s VAL 472 Cb -0.13 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3dmr s VAL 472 CO -0.09 0.41 -0.10 -0.76 0.00 0.00 0.00 175.10 174.55 3dmr s LEU 473 N 1.49 2.84 -0.33 3.92 1.43 -0.11 -1.40 118.68 126.53 3dmr s LEU 473 Ca 0.06 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 3dmr s LEU 473 Cb -0.14 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3dmr s LEU 473 CO -0.02 0.15 1.25 -2.16 0.23 0.00 0.00 176.35 175.81 3dmr s PRO 474 N 0.45 3.90 0.48 1.29 0.04 -1.26 -2.74 135.00 137.16 3dmr s PRO 474 Ca -0.08 1.12 -0.03 0.00 0.04 0.00 0.00 61.00 62.06 3dmr s PRO 474 Cb -0.15 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 3dmr s PRO 474 CO 0.04 -1.14 0.75 0.00 0.04 0.00 0.00 177.00 176.69 3dmr s ALA 475 N 4.34 3.52 0.44 8.56 0.00 -0.41 -1.81 121.76 136.39 3dmr s ALA 475 Ca 0.54 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 3dmr s ALA 475 Cb -0.15 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 3dmr s ALA 475 CO 0.23 -0.44 0.66 0.95 0.00 0.00 0.00 175.76 177.17 3dmr s THR 476 N -2.70 4.28 0.76 0.00 -4.23 -0.78 -4.30 115.64 108.68 3dmr s THR 476 Ca 0.48 -0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 3dmr s THR 476 Cb -0.10 -3.58 0.12 0.00 1.34 0.00 0.00 72.50 70.28 3dmr s THR 476 CO 0.42 -0.42 1.07 0.42 -0.54 0.00 0.00 174.62 175.56 3dmr s THR 477 N -2.53 2.17 0.54 3.99 -4.23 -1.26 -4.88 115.64 109.44 3dmr s THR 477 Ca 0.47 -0.37 0.20 0.00 -1.18 0.00 0.00 61.69 60.81 3dmr s THR 477 Cb -0.10 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 71.23 3dmr s THR 477 CO 0.38 0.00 2.17 0.28 -0.54 0.00 0.00 174.62 176.92 3dmr h SER 478 N -0.78 0.00 -0.05 3.99 0.02 -1.96 -2.87 113.55 111.90 3dmr h SER 478 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3dmr h SER 478 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3dmr h SER 478 CO 0.46 0.01 0.00 -1.22 -1.14 0.00 0.00 176.83 174.93 3dmr n TYR 479 N -4.32 0.06 -0.83 3.45 4.01 -1.26 -3.34 117.16 114.93 3dmr n TYR 479 Ca -0.03 -0.03 0.08 0.00 -0.16 0.00 0.00 57.90 57.76 3dmr n TYR 479 Cb 0.10 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.24 3dmr n TYR 479 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dmr n GLU 480 N -0.45 1.71 -3.68 -0.72 1.02 -1.08 -1.71 120.64 115.72 3dmr n GLU 480 Ca 0.14 -2.35 -0.10 0.00 -0.02 0.00 0.00 57.16 54.83 3dmr n GLU 480 Cb 0.14 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 3dmr n GLU 480 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3dmr n ARG 481 N -1.20 0.94 -4.28 3.49 1.85 -1.21 -4.44 116.66 111.82 3dmr n ARG 481 Ca 0.13 -2.27 -0.28 0.00 -1.00 0.00 0.00 57.85 54.43 3dmr n ARG 481 Cb 0.56 2.60 -0.10 0.00 -1.05 0.00 0.00 32.46 34.47 3dmr n ARG 481 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3dmr s ASN 482 N -2.98 4.21 0.24 2.89 0.01 -1.26 -2.33 114.94 115.71 3dmr s ASN 482 Ca 0.19 -0.53 -0.15 0.00 -0.71 0.00 0.00 52.86 51.66 3dmr s ASN 482 Cb -0.03 -0.71 0.06 0.00 0.41 0.00 0.00 41.25 40.97 3dmr s ASN 482 CO 0.14 0.14 0.77 -0.67 -1.51 0.00 0.00 177.10 175.97 3dmr n ASP 483 N 0.37 -1.67 -3.86 -1.22 -0.08 -0.32 -4.87 116.55 104.91 3dmr n ASP 483 Ca -0.12 -2.02 -0.12 0.00 -1.51 0.00 0.00 54.79 51.01 3dmr n ASP 483 Cb 0.54 2.75 -0.12 0.00 2.34 0.00 0.00 41.12 46.63 3dmr n ASP 483 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3dmr s ILE 484 N -2.19 0.02 0.07 5.18 2.07 -1.26 -1.23 121.20 123.87 3dmr s ILE 484 Ca 0.16 -0.18 -0.26 0.00 -1.41 0.00 0.00 60.65 58.96 3dmr s ILE 484 Cb -0.03 -0.19 0.07 0.00 0.13 0.00 0.00 42.46 42.44 3dmr s ILE 484 CO 0.07 -0.10 0.62 -0.70 -1.91 0.00 0.00 174.94 172.92 3dmr s GLU 485 N -0.29 1.18 0.38 3.50 2.56 -1.03 -1.15 118.70 123.85 3dmr s GLU 485 Ca -0.04 -0.19 -0.25 0.00 0.00 0.00 0.00 54.97 54.50 3dmr s GLU 485 Cb -0.02 0.55 -0.09 0.00 2.00 0.00 0.00 34.13 36.56 3dmr s GLU 485 CO 0.00 -0.46 1.05 0.99 -0.56 0.00 0.00 175.26 176.28 3dmr s THR 486 N -2.72 3.70 -0.34 -1.70 2.01 -1.26 -1.55 115.64 113.78 3dmr s THR 486 Ca -0.04 1.37 -0.10 0.00 0.31 0.00 0.00 61.69 63.22 3dmr s THR 486 Cb -0.01 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.77 3dmr s THR 486 CO -0.04 0.07 0.18 -0.63 -0.69 0.00 0.00 174.62 173.52 3dmr s ILE 487 N -1.57 4.66 0.00 1.82 1.01 -0.35 -2.10 121.20 124.67 3dmr s ILE 487 Ca 0.55 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3dmr s ILE 487 Cb -0.24 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3dmr s ILE 487 CO 0.30 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3dmr n GLY 488 N 5.00 0.13 0.35 6.18 0.00 0.19 -0.74 105.19 116.31 3dmr n GLY 488 Ca -0.13 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.15 3dmr n GLY 488 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dmr h ASP 489 N 0.00 0.46 0.00 1.61 3.32 -1.79 -1.73 116.42 118.29 3dmr h ASP 489 Ca 0.00 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3dmr h ASP 489 Cb 0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3dmr h ASP 489 CO 0.00 0.28 -1.45 -1.22 -1.72 0.00 0.00 179.24 175.14 3dmr n TYR 490 N -4.48 0.00 0.01 4.55 4.01 -1.26 -4.74 117.16 115.26 3dmr n TYR 490 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 3dmr n TYR 490 Cb 0.32 -0.31 0.03 0.00 -0.31 0.00 0.00 39.34 39.07 3dmr n TYR 490 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dmr h SER 491 N 0.00 0.62 -5.91 7.72 4.64 -1.71 -3.40 113.55 115.52 3dmr h SER 491 Ca -0.18 -0.37 -0.37 0.00 -0.47 0.00 0.00 61.79 60.41 3dmr h SER 491 Cb 1.30 -0.18 0.11 0.00 -0.31 0.00 0.00 62.40 63.32 3dmr h SER 491 CO -0.02 1.10 -0.86 -3.20 -0.87 0.00 0.00 176.83 172.98 3dmr n ASN 492 N -3.92 -3.59 -0.03 4.97 5.15 -0.65 -0.69 115.26 116.50 3dmr n ASN 492 Ca -0.04 -0.81 -0.00 0.00 -0.60 0.00 0.00 54.58 53.12 3dmr n ASN 492 Cb 0.65 -4.32 0.29 0.00 -0.53 0.00 0.00 39.78 35.87 3dmr n ASN 492 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3dmr h THR 493 N -1.68 1.19 0.00 -0.44 2.02 -1.17 -3.39 112.91 109.45 3dmr h THR 493 Ca -0.62 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 65.85 3dmr h THR 493 Cb 1.34 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3dmr h THR 493 CO 0.51 0.25 0.00 0.61 0.37 0.00 0.00 175.52 177.26 3dmr n GLY 494 N -0.96 -1.25 3.23 2.16 0.00 -1.20 -1.40 105.19 105.77 3dmr n GLY 494 Ca 0.02 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 3dmr n GLY 494 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmr s ILE 495 N -2.66 2.13 -0.08 -0.61 1.01 -0.53 -1.21 121.20 119.26 3dmr s ILE 495 Ca 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 3dmr s ILE 495 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3dmr s ILE 495 CO 0.00 0.56 -0.04 -0.22 0.00 0.00 0.00 174.94 175.24 3dmr s LEU 496 N 0.32 3.33 -0.31 2.97 2.96 -0.60 -1.86 118.68 125.50 3dmr s LEU 496 Ca -0.18 0.04 -0.22 0.00 -0.22 0.00 0.00 54.13 53.55 3dmr s LEU 496 Cb -0.18 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 3dmr s LEU 496 CO 0.09 0.36 0.72 0.00 -1.32 0.00 0.00 176.35 176.20 3dmr s ALA 497 N -0.81 3.52 -1.02 5.97 0.00 0.43 -2.46 121.76 127.39 3dmr s ALA 497 Ca 0.12 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 3dmr s ALA 497 Cb -0.11 -3.22 0.16 0.00 0.00 0.00 0.00 23.12 19.95 3dmr s ALA 497 CO 0.02 -1.18 1.19 -1.64 0.00 0.00 0.00 175.76 174.15 3dmr s MET 498 N 2.82 3.79 0.36 0.00 -1.94 -0.36 -4.51 119.30 119.46 3dmr s MET 498 Ca 0.29 -2.17 -0.24 0.00 -1.71 0.00 0.00 55.69 51.86 3dmr s MET 498 Cb -0.14 -4.90 -0.10 0.00 2.01 0.00 0.00 34.83 31.69 3dmr s MET 498 CO 0.13 -1.70 0.94 0.15 -0.01 0.00 0.00 175.02 174.53 3dmr s LYS 499 N 1.89 4.44 0.22 2.03 1.02 -1.23 -1.17 119.74 126.95 3dmr s LYS 499 Ca 0.34 1.24 -0.32 0.00 0.02 0.00 0.00 55.97 57.25 3dmr s LYS 499 Cb -0.05 -2.57 -0.12 0.00 -0.52 0.00 0.00 37.83 34.57 3dmr s LYS 499 CO -0.06 0.17 1.67 1.17 -0.92 0.00 0.00 175.35 177.37 3dmr n LYS 500 N 0.11 2.66 -0.12 1.68 4.81 -0.98 -4.76 118.16 121.56 3dmr n LYS 500 Ca 0.04 0.96 -0.20 0.00 -0.87 0.00 0.00 58.31 58.23 3dmr n LYS 500 Cb 0.52 -2.77 -0.10 0.00 0.02 0.00 0.00 35.03 32.69 3dmr n LYS 500 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3dmr n ILE 501 N 3.40 1.36 -4.07 3.15 5.41 -0.69 -4.96 119.36 122.96 3dmr n ILE 501 Ca 0.14 -0.46 -0.08 0.00 1.00 0.00 0.00 62.75 63.35 3dmr n ILE 501 Cb 0.34 -1.51 -0.09 0.00 -0.71 0.00 0.00 39.64 37.67 3dmr n ILE 501 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3dmr s VAL 502 N -2.47 0.15 0.51 1.39 -7.23 -0.97 -4.92 120.40 106.86 3dmr s VAL 502 Ca -0.33 -1.73 -0.20 0.00 -1.81 0.00 0.00 61.98 57.91 3dmr s VAL 502 Cb 0.10 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 35.25 3dmr s VAL 502 CO 0.51 -0.70 1.09 -1.61 -0.31 0.00 0.00 175.10 174.08 3dmr s GLU 503 N -3.96 3.59 0.21 4.82 0.41 -1.26 -4.15 118.70 118.35 3dmr s GLU 503 Ca 0.14 1.50 -0.31 0.00 -0.41 0.00 0.00 54.97 55.89 3dmr s GLU 503 Cb 0.07 -2.07 -0.15 0.00 -1.78 0.00 0.00 34.13 30.19 3dmr s GLU 503 CO -0.05 -0.63 1.06 -2.30 -0.49 0.00 0.00 175.26 172.84 3dmr n PRO 504 N -1.09 1.11 -2.87 0.39 -0.02 -1.26 -4.94 135.00 126.32 3dmr n PRO 504 Ca 0.10 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.68 3dmr n PRO 504 Cb 0.51 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3dmr n PRO 504 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dmr s LEU 505 N 0.78 3.83 0.00 2.45 1.43 -1.26 -4.90 118.68 121.01 3dmr s LEU 505 Ca 0.68 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3dmr s LEU 505 Cb -0.81 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 41.42 3dmr s LEU 505 CO 0.55 -0.40 0.00 -1.22 0.23 0.00 0.00 176.35 175.51 3dmr n TYR 506 N -1.32 0.00 -1.17 0.29 4.01 -1.26 -0.92 117.16 116.79 3dmr n TYR 506 Ca 0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.80 3dmr n TYR 506 Cb 0.54 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.80 3dmr n TYR 506 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dmr n GLU 507 N 14.00 2.37 -1.99 -0.72 1.02 -0.48 -5.02 120.64 129.82 3dmr n GLU 507 Ca 0.00 -2.94 -0.40 0.00 -0.02 0.00 0.00 57.16 53.80 3dmr n GLU 507 Cb 0.00 -1.81 -0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3dmr n GLU 507 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dmr s ALA 508 N -2.99 3.28 0.06 0.62 0.00 -0.09 -4.86 121.76 117.76 3dmr s ALA 508 Ca 0.42 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.70 3dmr s ALA 508 Cb 0.36 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3dmr s ALA 508 CO 0.05 -0.91 -0.07 1.03 0.00 0.00 0.00 175.76 175.85 3dmr s ARG 509 N -2.27 0.61 0.60 0.00 0.52 -0.75 -4.73 118.95 112.93 3dmr s ARG 509 Ca 0.57 -0.92 -0.17 0.00 -0.52 0.00 0.00 55.73 54.70 3dmr s ARG 509 Cb -0.40 -0.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.80 3dmr s ARG 509 CO 0.51 0.03 1.10 -1.54 0.02 0.00 0.00 175.30 175.42 3dmr s SER 510 N -2.00 5.50 0.24 0.23 1.04 -1.26 -1.86 113.70 115.59 3dmr s SER 510 Ca -0.04 2.00 -0.06 0.00 0.48 0.00 0.00 55.95 58.33 3dmr s SER 510 Cb -0.06 -2.56 0.32 0.00 0.10 0.00 0.00 66.02 63.82 3dmr s SER 510 CO -0.01 -1.36 1.87 0.44 0.98 0.00 0.00 173.24 175.15 3dmr h ASP 511 N 0.53 0.90 -0.47 7.02 3.32 -1.94 -2.16 116.42 123.62 3dmr h ASP 511 Ca -0.48 0.01 0.09 0.00 0.02 0.00 0.00 57.03 56.67 3dmr h ASP 511 Cb 1.24 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.53 3dmr h ASP 511 CO 0.56 0.59 -0.00 0.22 -1.72 0.00 0.00 179.24 178.89 3dmr h TYR 512 N 1.04 -0.03 -0.34 4.55 5.03 -1.94 0.40 116.97 125.67 3dmr h TYR 512 Ca 0.37 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.61 3dmr h TYR 512 Cb 0.11 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 3dmr h TYR 512 CO -0.02 -0.11 -0.24 -0.44 -1.32 0.00 0.00 178.16 176.03 3dmr h ASP 513 N 0.11 0.68 0.12 -2.11 3.32 -1.84 -0.79 116.42 115.91 3dmr h ASP 513 Ca 0.24 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dmr h ASP 513 Cb 0.35 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3dmr h ASP 513 CO -0.40 0.90 -0.06 0.40 -1.72 0.00 0.00 179.24 178.37 3dmr h ILE 514 N 0.58 1.01 -0.01 0.35 2.04 -0.76 -2.45 117.51 118.26 3dmr h ILE 514 Ca 0.08 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 3dmr h ILE 514 Cb 0.72 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3dmr h ILE 514 CO 0.06 0.13 -0.38 -0.26 0.00 0.00 0.00 178.15 177.69 3dmr h PHE 515 N -0.43 0.02 -0.18 1.37 0.04 -0.93 -2.06 116.94 114.78 3dmr h PHE 515 Ca -0.02 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.76 3dmr h PHE 515 Cb 0.34 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3dmr h PHE 515 CO 0.01 0.40 0.06 0.00 -0.60 0.00 0.00 178.31 178.18 3dmr h ALA 516 N 1.60 0.20 -0.33 2.45 0.00 -1.08 0.83 119.26 122.92 3dmr h ALA 516 Ca -0.00 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dmr h ALA 516 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3dmr h ALA 516 CO 0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 179.25 178.76 3dmr h ALA 517 N 1.11 1.08 -0.08 0.00 0.00 -1.04 -1.09 119.26 119.23 3dmr h ALA 517 Ca 0.08 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 3dmr h ALA 517 Cb 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dmr h ALA 517 CO -0.08 0.57 -0.73 0.28 0.00 0.00 0.00 179.25 179.29 3dmr h VAL 518 N 0.55 1.33 -0.38 0.00 2.07 -1.21 -2.91 116.25 115.69 3dmr h VAL 518 Ca 0.09 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 3dmr h VAL 518 Cb 0.61 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3dmr h VAL 518 CO 0.04 0.61 0.18 0.00 0.02 0.00 0.00 177.57 178.43 3dmr h ALA 519 N 0.46 1.60 -0.67 1.67 0.00 -0.58 -2.18 119.26 119.56 3dmr h ALA 519 Ca -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3dmr h ALA 519 Cb 1.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3dmr h ALA 519 CO 0.15 0.32 0.37 1.49 0.00 0.00 0.00 179.25 181.58 3dmr h GLU 520 N 0.53 0.94 0.00 0.00 4.57 -1.14 0.15 114.58 119.63 3dmr h GLU 520 Ca 0.14 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3dmr h GLU 520 Cb 0.06 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 3dmr h GLU 520 CO -0.02 0.70 0.00 0.00 -1.18 0.00 0.00 179.01 178.51 3dmr h ARG 521 N 0.92 0.00 -0.16 1.92 3.08 -1.20 -2.15 114.38 116.79 3dmr h ARG 521 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3dmr h ARG 521 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3dmr h ARG 521 CO -0.04 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 3dmr n LEU 522 N -2.53 2.15 0.00 3.04 4.77 -0.86 -4.92 117.00 118.64 3dmr n LEU 522 Ca 0.02 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3dmr n LEU 522 Cb 0.28 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3dmr n LEU 522 CO 0.23 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3dmr n GLY 523 N 1.24 0.44 2.28 -0.72 0.00 -0.81 -4.98 105.19 102.65 3dmr n GLY 523 Ca 0.17 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 3dmr n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dmr n LYS 524 N -2.64 2.49 0.27 1.61 4.76 -0.02 -4.94 118.16 119.69 3dmr n LYS 524 Ca 0.00 -3.72 -0.16 0.00 -2.87 0.00 0.00 58.31 51.56 3dmr n LYS 524 Cb 0.07 -1.83 -0.08 0.00 -1.84 0.00 0.00 35.03 31.34 3dmr n LYS 524 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3dmr h GLY 525 N 2.24 -0.68 1.68 0.72 0.00 -1.80 -2.53 103.07 102.70 3dmr h GLY 525 Ca 0.09 0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 3dmr h GLY 525 CO 0.43 -0.25 -0.06 0.00 0.00 0.00 0.00 176.54 176.66 3dmr h ALA 526 N -0.19 1.43 -0.59 3.60 0.00 -1.93 -1.38 119.26 120.20 3dmr h ALA 526 Ca -0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3dmr h ALA 526 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3dmr h ALA 526 CO 0.11 0.40 0.05 0.93 0.00 0.00 0.00 179.25 180.73 3dmr h GLU 527 N 0.38 0.98 0.08 0.00 3.07 -1.94 0.41 114.58 117.56 3dmr h GLU 527 Ca 0.08 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3dmr h GLU 527 Cb 0.35 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3dmr h GLU 527 CO 0.02 0.94 -0.04 0.35 -1.40 0.00 0.00 179.01 178.88 3dmr h PHE 528 N 0.91 -0.10 0.03 4.33 3.04 -0.86 -3.35 116.94 120.95 3dmr h PHE 528 Ca 0.18 -0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.90 3dmr h PHE 528 Cb 0.47 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 3dmr h PHE 528 CO 0.03 0.41 -1.05 1.79 -2.02 0.00 0.00 178.31 177.48 3dmr h THR 529 N -0.69 1.66 -0.36 4.41 1.35 -1.30 -3.48 112.91 114.51 3dmr h THR 529 Ca -0.01 -3.31 -0.16 0.00 -0.55 0.00 0.00 66.41 62.38 3dmr h THR 529 Cb 0.56 2.86 -0.06 0.00 -1.73 0.00 0.00 68.15 69.77 3dmr h THR 529 CO 0.02 0.95 -0.14 1.21 -0.25 0.00 0.00 175.52 177.31 3dmr n GLU 530 N -3.40 -0.56 -0.96 4.72 4.07 0.15 -2.38 120.64 122.27 3dmr n GLU 530 Ca -0.02 0.75 0.00 0.00 -0.06 0.00 0.00 57.16 57.83 3dmr n GLU 530 Cb 0.95 -4.58 0.00 0.00 -0.06 0.00 0.00 31.44 27.76 3dmr n GLU 530 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dmr n GLY 531 N -1.99 0.39 3.77 8.31 0.00 -1.26 -5.01 105.19 109.40 3dmr n GLY 531 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3dmr n GLY 531 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmr s LYS 532 N -0.64 2.82 0.43 1.61 1.02 -1.00 -5.11 119.74 118.86 3dmr s LYS 532 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.23 3dmr s LYS 532 Cb 0.00 -2.65 0.05 0.00 -0.52 0.00 0.00 37.83 34.71 3dmr s LYS 532 CO 0.00 0.52 0.42 -0.40 -0.92 0.00 0.00 175.35 174.97 3dmr n ASP 533 N 0.09 2.08 -0.19 2.83 5.75 -1.26 -4.89 116.55 120.96 3dmr n ASP 533 Ca -0.09 -2.35 -0.06 0.00 -0.01 0.00 0.00 54.79 52.28 3dmr n ASP 533 Cb 0.53 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.48 3dmr n ASP 533 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3dmr h GLU 534 N 0.00 -0.19 0.00 0.11 4.81 -2.00 -0.98 114.58 116.34 3dmr h GLU 534 Ca -0.24 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 3dmr h GLU 534 Cb 0.96 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3dmr h GLU 534 CO 0.37 -0.12 -0.30 0.52 -0.73 0.00 0.00 179.01 178.75 3dmr h MET 535 N -0.19 0.00 -0.27 1.92 2.86 -1.95 -2.52 114.93 114.77 3dmr h MET 535 Ca 0.21 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.71 3dmr h MET 535 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3dmr h MET 535 CO -0.66 0.30 -0.43 0.78 1.06 0.00 0.00 176.91 177.97 3dmr h GLY 536 N 1.90 0.74 0.70 8.32 0.00 -1.57 -0.96 103.07 112.20 3dmr h GLY 536 Ca -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 3dmr h GLY 536 CO 0.04 0.69 -0.14 1.49 0.00 0.00 0.00 176.54 178.62 3dmr h TRP 537 N 0.55 -0.36 -0.73 5.60 4.06 -1.21 -2.64 115.95 121.22 3dmr h TRP 537 Ca 0.04 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.04 3dmr h TRP 537 Cb 0.96 0.12 -0.06 0.00 -1.00 0.00 0.00 29.16 29.19 3dmr h TRP 537 CO 0.05 -0.04 0.43 0.82 -3.56 0.00 0.00 178.44 176.13 3dmr h ILE 538 N -0.69 1.01 -0.76 1.49 2.04 -1.42 -1.67 117.51 117.51 3dmr h ILE 538 Ca -0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3dmr h ILE 538 Cb 0.48 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3dmr h ILE 538 CO 0.06 0.15 0.44 0.50 0.00 0.00 0.00 178.15 179.30 3dmr h LYS 539 N 0.80 1.04 -0.08 2.37 3.64 -1.22 -2.48 116.57 120.63 3dmr h LYS 539 Ca 0.32 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3dmr h LYS 539 Cb 0.16 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3dmr h LYS 539 CO -0.17 0.75 -0.32 0.66 -2.27 0.00 0.00 179.45 178.10 3dmr h SER 540 N 1.04 0.16 -0.26 4.20 4.64 -0.95 -0.38 113.55 122.00 3dmr h SER 540 Ca 0.27 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 3dmr h SER 540 Cb -0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3dmr h SER 540 CO -0.05 0.48 -0.14 -0.26 -0.87 0.00 0.00 176.83 175.99 3dmr h PHE 541 N 0.14 0.65 -0.44 4.77 0.04 -0.94 -2.45 116.94 118.72 3dmr h PHE 541 Ca 0.02 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 3dmr h PHE 541 Cb 0.64 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3dmr h PHE 541 CO 0.01 0.82 0.14 -0.92 -0.60 0.00 0.00 178.31 177.76 3dmr h TYR 542 N 0.29 0.70 -0.75 -0.55 5.03 -1.28 -2.15 116.97 118.26 3dmr h TYR 542 Ca 0.06 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.30 3dmr h TYR 542 Cb 0.66 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.70 3dmr h TYR 542 CO 0.06 0.64 0.48 -0.44 -1.32 0.00 0.00 178.16 177.58 3dmr h ASP 543 N 0.56 0.89 -0.70 -2.11 3.32 -1.09 -0.64 116.42 116.65 3dmr h ASP 543 Ca 0.14 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3dmr h ASP 543 Cb 0.26 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3dmr h ASP 543 CO -0.00 0.66 0.27 0.44 -1.72 0.00 0.00 179.24 178.89 3dmr h ASP 544 N 1.03 0.99 -0.79 6.45 5.19 -1.24 -2.06 116.42 125.98 3dmr h ASP 544 Ca 0.27 -0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 3dmr h ASP 544 Cb -0.08 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.14 3dmr h ASP 544 CO -0.06 0.90 0.30 0.00 -3.12 0.00 0.00 179.24 177.27 3dmr h ALA 545 N 1.12 1.04 -0.70 3.45 0.00 -0.71 -2.45 119.26 121.01 3dmr h ALA 545 Ca 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dmr h ALA 545 Cb 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3dmr h ALA 545 CO -0.02 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.12 3dmr h ALA 546 N 1.16 1.05 -0.03 0.00 0.00 -0.85 0.34 119.26 120.94 3dmr h ALA 546 Ca 0.26 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3dmr h ALA 546 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dmr h ALA 546 CO -0.02 0.64 -0.62 -0.22 0.00 0.00 0.00 179.25 179.03 3dmr h LYS 547 N 1.04 0.10 -0.27 0.00 3.64 -1.20 0.36 116.57 120.24 3dmr h LYS 547 Ca 0.23 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3dmr h LYS 547 Cb 0.30 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3dmr h LYS 547 CO -0.01 0.69 -0.31 0.37 -2.27 0.00 0.00 179.45 177.92 3dmr h GLN 548 N 0.07 0.69 0.17 1.90 4.15 -1.05 -2.80 115.11 118.25 3dmr h GLN 548 Ca -0.01 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.03 3dmr h GLN 548 Cb 1.11 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 3dmr h GLN 548 CO 0.09 1.00 -0.14 0.78 -1.93 0.00 0.00 178.83 178.63 3dmr h GLY 549 N 0.43 -0.31 -0.25 2.39 0.00 0.08 -2.67 103.07 102.73 3dmr h GLY 549 Ca 0.04 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.61 3dmr h GLY 549 CO 0.08 -0.14 -0.35 1.70 0.00 0.00 0.00 176.54 177.82 3dmr h LYS 550 N -0.32 -0.24 -0.98 4.80 3.64 -0.88 0.57 116.57 123.16 3dmr h LYS 550 Ca -0.00 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.57 3dmr h LYS 550 Cb 0.29 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.07 3dmr h LYS 550 CO -0.02 -0.16 0.61 0.00 -2.27 0.00 0.00 179.45 177.61 3dmr h ALA 551 N 0.73 1.75 -0.03 5.00 0.00 -1.37 -0.25 119.26 125.10 3dmr h ALA 551 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3dmr h ALA 551 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dmr h ALA 551 CO -0.58 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.60 3dmr n ALA 552 N -2.37 2.59 -0.51 0.00 0.00 0.08 -4.92 120.51 115.38 3dmr n ALA 552 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3dmr n ALA 552 Cb 0.55 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3dmr n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmr n GLY 553 N 1.12 0.74 3.62 0.00 0.00 -0.10 -5.04 105.19 105.52 3dmr n GLY 553 Ca 0.20 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3dmr n GLY 553 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmr s VAL 554 N -2.00 5.32 0.05 1.61 1.01 -0.51 -4.99 120.40 120.89 3dmr s VAL 554 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 3dmr s VAL 554 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3dmr s VAL 554 CO 0.00 0.28 0.74 -1.10 0.00 0.00 0.00 175.10 175.02 3dmr s GLN 555 N 1.48 4.47 -0.01 2.72 -0.21 -1.26 -3.15 119.66 123.70 3dmr s GLN 555 Ca 0.08 1.02 0.02 0.00 0.02 0.00 0.00 55.36 56.50 3dmr s GLN 555 Cb -0.15 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.52 3dmr s GLN 555 CO 0.08 0.34 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.88 3dmr s MET 556 N -0.23 0.66 1.20 2.91 -1.94 -1.26 -5.05 119.30 115.59 3dmr s MET 556 Ca 0.37 -0.24 -0.14 0.00 -1.71 0.00 0.00 55.69 53.98 3dmr s MET 556 Cb -0.20 -0.64 0.30 0.00 2.01 0.00 0.00 34.83 36.29 3dmr s MET 556 CO 0.22 0.11 1.01 -1.25 -0.01 0.00 0.00 175.02 175.11 3dmr s PRO 557 N 0.05 -1.21 0.73 2.03 0.04 -1.26 -4.99 135.00 130.39 3dmr s PRO 557 Ca -0.00 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 3dmr s PRO 557 Cb -0.05 -1.53 0.03 0.00 0.04 0.00 0.00 34.50 32.99 3dmr s PRO 557 CO -0.00 -3.88 1.07 0.00 0.04 0.00 0.00 177.00 174.23 3dmr s ALA 558 N -2.45 2.51 0.14 8.56 0.00 -1.26 -4.76 121.76 124.50 3dmr s ALA 558 Ca 0.69 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 3dmr s ALA 558 Cb -0.24 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 3dmr s ALA 558 CO 0.64 -1.43 1.56 0.35 0.00 0.00 0.00 175.76 176.88 3dmr h PHE 559 N -0.87 -1.57 0.00 0.00 3.57 -1.96 -1.65 116.94 114.46 3dmr h PHE 559 Ca -0.45 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 3dmr h PHE 559 Cb 1.23 0.75 -0.00 0.00 2.79 0.00 0.00 35.95 40.71 3dmr h PHE 559 CO 0.58 -0.46 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.65 3dmr h ASP 560 N -0.33 0.00 -0.31 0.41 3.32 -1.98 0.25 116.42 117.78 3dmr h ASP 560 Ca 0.11 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 3dmr h ASP 560 Cb 0.58 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3dmr h ASP 560 CO -0.64 0.10 -0.42 0.00 -1.72 0.00 0.00 179.24 176.56 3dmr h ALA 561 N 1.90 0.47 -0.03 3.45 0.00 -1.70 -0.94 119.26 122.41 3dmr h ALA 561 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dmr h ALA 561 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dmr h ALA 561 CO 0.01 0.60 0.01 0.35 0.00 0.00 0.00 179.25 180.22 3dmr h PHE 562 N 0.62 0.05 -0.58 0.00 3.57 -0.67 -2.32 116.94 117.61 3dmr h PHE 562 Ca 0.04 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3dmr h PHE 562 Cb 1.02 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3dmr h PHE 562 CO 0.07 0.24 0.34 2.35 -2.23 0.00 0.00 178.31 179.09 3dmr h TRP 563 N -0.16 0.64 -0.78 0.41 2.91 -0.93 0.89 115.95 118.93 3dmr h TRP 563 Ca 0.01 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.09 3dmr h TRP 563 Cb 0.22 -0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 28.61 3dmr h TRP 563 CO -0.00 0.35 0.49 0.00 -1.03 0.00 0.00 178.44 178.25 3dmr h ALA 564 N 1.26 1.04 -0.24 2.65 0.00 -1.08 -2.35 119.26 120.53 3dmr h ALA 564 Ca 0.24 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 3dmr h ALA 564 Cb 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3dmr h ALA 564 CO -0.11 0.28 -0.42 0.93 0.00 0.00 0.00 179.25 179.93 3dmr h GLU 565 N 0.95 0.71 0.00 0.00 5.08 -0.82 -3.48 114.58 117.01 3dmr h GLU 565 Ca 0.32 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3dmr h GLU 565 Cb 0.05 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3dmr h GLU 565 CO -0.13 1.06 0.00 0.41 -1.00 0.00 0.00 179.01 179.35 3dmr n GLY 566 N 0.35 1.16 3.58 -3.84 0.00 0.30 -5.00 105.19 101.75 3dmr n GLY 566 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3dmr n GLY 566 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dmr s ILE 567 N -2.47 0.00 -0.06 -0.61 2.07 -1.25 -0.43 121.20 118.46 3dmr s ILE 567 Ca 0.00 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 3dmr s ILE 567 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 3dmr s ILE 567 CO 0.00 0.00 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.10 3dmr s VAL 568 N -0.43 1.96 -0.07 4.00 1.01 -0.78 -4.99 120.40 121.10 3dmr s VAL 568 Ca -0.04 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3dmr s VAL 568 Cb -0.03 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3dmr s VAL 568 CO 0.03 0.55 -0.18 -1.61 0.00 0.00 0.00 175.10 173.89 3dmr s GLU 569 N -0.10 2.74 0.18 2.72 2.02 -1.26 -1.45 118.70 123.54 3dmr s GLU 569 Ca -0.04 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3dmr s GLU 569 Cb -0.14 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 3dmr s GLU 569 CO 0.04 0.42 0.34 -0.06 0.02 0.00 0.00 175.26 176.02 3dmr s PHE 570 N -0.24 3.48 0.21 1.61 0.08 -0.50 -4.97 117.98 117.66 3dmr s PHE 570 Ca -0.00 0.22 -0.13 0.00 0.12 0.00 0.00 56.93 57.14 3dmr s PHE 570 Cb -0.13 -1.75 -0.07 0.00 -0.57 0.00 0.00 43.02 40.49 3dmr s PHE 570 CO 0.03 0.44 0.59 -1.25 -0.10 0.00 0.00 175.22 174.93 3dmr s PRO 571 N -3.32 3.92 -0.22 0.24 0.04 -1.26 -4.87 135.00 129.53 3dmr s PRO 571 Ca 0.36 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 3dmr s PRO 571 Cb -0.11 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3dmr s PRO 571 CO 0.29 0.36 0.47 0.08 0.04 0.00 0.00 177.00 178.24 3dmr s VAL 572 N -1.69 5.13 0.00 -0.36 1.01 -1.26 -1.50 120.40 121.73 3dmr s VAL 572 Ca 0.44 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.25 3dmr s VAL 572 Cb -0.13 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3dmr s VAL 572 CO 0.20 0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.83 3dmr n THR 573 N 4.65 0.00 0.41 3.92 -2.24 -1.26 -4.86 114.28 114.89 3dmr n THR 573 Ca -0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 3dmr n THR 573 Cb 0.50 -0.54 0.18 0.00 -2.10 0.00 0.00 70.33 68.38 3dmr n THR 573 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dmr n ASP 574 N -0.38 3.30 -0.24 3.42 5.75 -1.26 -4.60 116.55 122.55 3dmr n ASP 574 Ca 0.00 -1.97 0.20 0.00 -0.01 0.00 0.00 54.79 53.01 3dmr n ASP 574 Cb 0.00 -0.20 0.53 0.00 -1.03 0.00 0.00 41.12 40.42 3dmr n ASP 574 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3dmr h GLY 575 N 4.32 0.81 1.32 6.12 0.00 -1.90 -2.29 103.07 111.44 3dmr h GLY 575 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3dmr h GLY 575 CO 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 176.54 176.53 3dmr n ALA 576 N -2.53 2.58 -0.37 3.60 0.00 -1.26 -3.41 120.51 119.11 3dmr n ALA 576 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.53 3dmr n ALA 576 Cb 0.72 -1.50 0.21 0.00 0.00 0.00 0.00 19.45 18.87 3dmr n ALA 576 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dmr n ASP 577 N -1.16 3.36 -4.71 0.00 8.00 -0.86 -4.44 116.55 116.73 3dmr n ASP 577 Ca 0.18 -2.21 -0.42 0.00 0.71 0.00 0.00 54.79 53.05 3dmr n ASP 577 Cb 0.19 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 3dmr n ASP 577 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3dmr s PHE 578 N -1.39 3.29 -0.21 1.24 5.36 -1.22 -4.95 117.98 120.10 3dmr s PHE 578 Ca 0.31 1.03 0.01 0.00 -0.96 0.00 0.00 56.93 57.32 3dmr s PHE 578 Cb 0.19 -3.63 0.05 0.00 -0.34 0.00 0.00 43.02 39.29 3dmr s PHE 578 CO 0.17 -2.14 -0.10 0.08 -1.46 0.00 0.00 175.22 171.77 3dmr s VAL 579 N 1.10 1.66 0.26 3.12 1.01 -1.26 -1.64 120.40 124.65 3dmr s VAL 579 Ca 0.63 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3dmr s VAL 579 Cb -0.35 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 3dmr s VAL 579 CO 0.30 0.11 1.47 -0.60 0.00 0.00 0.00 175.10 176.38 3dmr s ARG 580 N 1.37 4.24 0.00 2.72 3.52 -1.26 -2.64 118.95 126.91 3dmr s ARG 580 Ca -0.03 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 3dmr s ARG 580 Cb -0.17 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3dmr s ARG 580 CO -0.08 -0.46 0.00 0.66 -0.81 0.00 0.00 175.30 174.61 3dmr n TYR 581 N 2.30 0.00 -0.18 5.12 4.01 -1.26 -3.88 117.16 123.27 3dmr n TYR 581 Ca 0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.75 3dmr n TYR 581 Cb 0.40 -0.60 0.04 0.00 -0.31 0.00 0.00 39.34 38.86 3dmr n TYR 581 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dmr h ALA 582 N 0.00 0.67 -0.37 -0.72 0.00 -1.66 -1.81 119.26 115.37 3dmr h ALA 582 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3dmr h ALA 582 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dmr h ALA 582 CO 0.00 0.05 -0.22 0.66 0.00 0.00 0.00 179.25 179.74 3dmr h SER 583 N 0.65 0.74 -0.81 0.00 4.64 -1.90 0.00 113.55 116.87 3dmr h SER 583 Ca 0.21 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3dmr h SER 583 Cb -0.01 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 3dmr h SER 583 CO -0.08 0.94 0.42 0.15 -0.87 0.00 0.00 176.83 177.39 3dmr h PHE 584 N 0.64 1.14 -0.30 4.77 3.57 -1.65 -2.15 116.94 122.96 3dmr h PHE 584 Ca 0.09 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3dmr h PHE 584 Cb 0.71 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3dmr h PHE 584 CO 0.03 0.81 -0.06 -0.09 -2.23 0.00 0.00 178.31 176.77 3dmr h ARG 585 N 1.14 0.58 -0.52 1.11 2.43 -0.98 -2.80 114.38 115.34 3dmr h ARG 585 Ca 0.28 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3dmr h ARG 585 Cb 0.07 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3dmr h ARG 585 CO -0.04 0.76 0.28 1.49 -1.51 0.00 0.00 179.97 180.95 3dmr h GLU 586 N 0.35 0.53 -1.29 0.20 4.81 -0.66 -3.40 114.58 115.12 3dmr h GLU 586 Ca 0.08 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 3dmr h GLU 586 Cb 0.54 -0.12 -0.23 0.00 0.63 0.00 0.00 28.75 29.58 3dmr h GLU 586 CO 0.03 0.35 -0.51 0.34 -0.73 0.00 0.00 179.01 178.49 3dmr s ASP 587 N -5.53 -0.74 0.40 1.04 -1.08 -0.84 -5.03 116.67 104.89 3dmr s ASP 587 Ca -0.13 -0.82 0.15 0.00 -0.52 0.00 0.00 52.55 51.23 3dmr s ASP 587 Cb 0.14 1.57 0.85 0.00 -1.46 0.00 0.00 42.92 44.02 3dmr s ASP 587 CO 0.74 -0.22 1.89 1.55 0.52 0.00 0.00 175.17 179.64 3dmr h PRO 588 N 7.24 0.00 -0.18 4.34 0.13 -1.72 -0.43 132.00 141.37 3dmr h PRO 588 Ca 0.03 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.95 3dmr h PRO 588 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3dmr h PRO 588 CO 0.14 0.30 -0.73 -0.07 -0.23 0.00 0.00 178.00 177.42 3dmr h LEU 589 N 0.00 0.93 0.04 1.56 3.38 -1.96 -2.44 115.31 116.82 3dmr h LEU 589 Ca -0.00 -0.59 -0.23 0.00 0.09 0.00 0.00 57.88 57.15 3dmr h LEU 589 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3dmr h LEU 589 CO 0.04 1.39 -1.10 0.25 0.09 0.00 0.00 178.44 179.10 3dmr h LEU 590 N 0.56 0.12 -5.88 1.67 5.85 -1.93 -3.39 115.31 112.32 3dmr h LEU 590 Ca -0.04 -0.14 -0.57 0.00 0.84 0.00 0.00 57.88 57.97 3dmr h LEU 590 Cb 1.35 -0.04 -0.41 0.00 0.37 0.00 0.00 40.66 41.93 3dmr h LEU 590 CO 0.15 1.11 -0.78 0.59 -0.34 0.00 0.00 178.44 179.17 3dmr n ASN 591 N -3.39 2.92 -4.89 1.25 3.02 -0.19 -5.11 115.26 108.87 3dmr n ASN 591 Ca -0.03 -3.32 -0.30 0.00 -0.03 0.00 0.00 54.58 50.90 3dmr n ASN 591 Cb 0.97 -0.63 0.04 0.00 -0.61 0.00 0.00 39.78 39.55 3dmr n ASN 591 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3dmr s PRO 592 N -2.51 2.97 0.71 3.52 0.04 -0.92 -4.14 135.00 134.67 3dmr s PRO 592 Ca 0.42 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 3dmr s PRO 592 Cb 0.22 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3dmr s PRO 592 CO -0.07 -0.92 1.08 -0.51 0.04 0.00 0.00 177.00 176.61 3dmr s LEU 593 N -5.28 2.93 -0.09 -3.56 1.43 -0.76 -4.95 118.68 108.40 3dmr s LEU 593 Ca 0.57 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 3dmr s LEU 593 Cb -0.11 -4.13 0.02 0.00 0.03 0.00 0.00 46.19 42.00 3dmr s LEU 593 CO 0.51 -1.43 2.25 0.61 0.23 0.00 0.00 176.35 178.53 3dmr n GLY 594 N -2.54 3.02 3.83 -3.19 0.00 -1.26 -4.14 105.19 100.91 3dmr n GLY 594 Ca 0.07 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 3dmr n GLY 594 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dmr s THR 595 N -0.50 3.70 0.20 2.61 -4.23 -1.26 -4.53 115.64 111.62 3dmr s THR 595 Ca 0.19 -1.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 3dmr s THR 595 Cb 0.12 -3.21 0.15 0.00 1.34 0.00 0.00 72.50 70.90 3dmr s THR 595 CO -0.01 -0.22 1.68 -0.65 -0.54 0.00 0.00 174.62 174.88 3dmr h PRO 596 N 1.35 0.14 0.00 3.99 0.11 -1.92 -0.86 132.00 134.81 3dmr h PRO 596 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3dmr h PRO 596 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3dmr h PRO 596 CO 0.59 0.10 -0.40 1.79 -0.21 0.00 0.00 178.00 179.87 3dmr h THR 597 N 0.15 0.47 0.00 -1.15 1.35 -1.96 -3.47 112.91 108.30 3dmr h THR 597 Ca 0.28 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3dmr h THR 597 Cb 0.44 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3dmr h THR 597 CO -0.44 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 3dmr n GLY 598 N 1.19 0.70 3.53 5.82 0.00 -0.33 -4.99 105.19 111.11 3dmr n GLY 598 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3dmr n GLY 598 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dmr s LEU 599 N 0.00 2.00 -0.17 0.99 1.43 -1.26 -1.83 118.68 119.84 3dmr s LEU 599 Ca 0.00 -1.71 -0.29 0.00 -1.03 0.00 0.00 54.13 51.10 3dmr s LEU 599 Cb 0.00 -0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 3dmr s LEU 599 CO 0.00 -0.96 1.41 -0.63 0.23 0.00 0.00 176.35 176.40 3dmr s ILE 600 N -3.17 4.01 -0.78 -0.59 1.01 0.02 -4.79 121.20 116.91 3dmr s ILE 600 Ca 0.22 1.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.87 3dmr s ILE 600 Cb 0.02 -3.86 0.12 0.00 0.01 0.00 0.00 42.46 38.75 3dmr s ILE 600 CO 0.14 -0.20 0.97 -1.61 0.00 0.00 0.00 174.94 174.24 3dmr s GLU 601 N 3.92 3.35 0.23 2.79 2.02 -0.77 -0.96 118.70 129.28 3dmr s GLU 601 Ca 0.62 -1.48 0.03 0.00 0.02 0.00 0.00 54.97 54.16 3dmr s GLU 601 Cb -0.24 -4.56 0.22 0.00 0.10 0.00 0.00 34.13 29.65 3dmr s GLU 601 CO 0.22 -1.70 1.54 0.82 0.02 0.00 0.00 175.26 176.16 3dmr h ILE 602 N 5.81 1.37 -3.43 -1.63 2.04 -1.67 -3.42 117.51 116.58 3dmr h ILE 602 Ca -0.06 -1.94 -0.67 0.00 1.00 0.00 0.00 64.86 63.19 3dmr h ILE 602 Cb 1.05 1.96 -0.29 0.00 -0.74 0.00 0.00 36.82 38.80 3dmr h ILE 602 CO 1.10 0.58 -0.81 -0.47 0.00 0.00 0.00 178.15 178.54 3dmr s TYR 603 N -3.80 2.69 -0.27 1.37 5.04 -1.18 -4.33 117.35 116.86 3dmr s TYR 603 Ca -0.05 -0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 53.79 3dmr s TYR 603 Cb 0.12 -1.76 0.02 0.00 0.35 0.00 0.00 41.96 40.68 3dmr s TYR 603 CO 0.81 -0.26 -0.00 0.45 -1.34 0.00 0.00 175.55 175.21 3dmr s SER 604 N 0.23 4.65 0.23 4.32 0.15 0.55 -4.74 113.70 119.09 3dmr s SER 604 Ca -0.12 -0.80 -0.07 0.00 0.70 0.00 0.00 55.95 55.67 3dmr s SER 604 Cb -0.16 -1.75 0.20 0.00 -1.71 0.00 0.00 66.02 62.60 3dmr s SER 604 CO 0.06 -0.15 1.80 0.11 1.20 0.00 0.00 173.24 176.26 3dmr h LYS 605 N 8.10 1.16 -0.28 5.44 1.57 -1.97 -0.25 116.57 130.34 3dmr h LYS 605 Ca -0.32 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3dmr h LYS 605 Cb 1.12 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 3dmr h LYS 605 CO 0.58 0.93 0.09 -0.97 -0.57 0.00 0.00 179.45 179.51 3dmr h ASN 606 N 1.13 0.08 0.29 0.86 -0.73 -1.98 -1.10 115.58 114.14 3dmr h ASN 606 Ca 0.26 0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.34 3dmr h ASN 606 Cb 0.20 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 3dmr h ASN 606 CO -0.02 0.08 -0.52 0.40 -0.37 0.00 0.00 177.43 177.00 3dmr h ILE 607 N 0.21 1.35 -0.26 2.57 2.04 -1.84 -2.95 117.51 118.63 3dmr h ILE 607 Ca 0.13 -1.78 0.04 0.00 1.00 0.00 0.00 64.86 64.25 3dmr h ILE 607 Cb 0.10 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 3dmr h ILE 607 CO -0.14 0.53 0.00 -0.08 0.00 0.00 0.00 178.15 178.46 3dmr h GLU 608 N 0.20 0.08 0.00 2.37 4.81 -0.59 -1.83 114.58 119.62 3dmr h GLU 608 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dmr h GLU 608 Cb 0.98 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3dmr h GLU 608 CO 0.08 0.05 0.00 0.87 -0.73 0.00 0.00 179.01 179.29 3dmr h LYS 609 N 0.08 0.00 0.00 1.92 1.57 -1.04 -2.21 116.57 116.90 3dmr h LYS 609 Ca 0.12 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3dmr h LYS 609 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3dmr h LYS 609 CO -0.20 0.00 -0.60 0.52 -0.57 0.00 0.00 179.45 178.59 3dmr h MET 610 N 0.00 0.00 -5.36 3.15 2.86 -1.29 -3.48 114.93 110.81 3dmr h MET 610 Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 3dmr h MET 610 Cb 0.17 0.00 0.12 0.00 0.06 0.00 0.00 31.60 31.95 3dmr h MET 610 CO 0.00 0.60 -0.62 0.41 1.06 0.00 0.00 176.91 178.36 3dmr n GLY 611 N 0.51 -0.42 3.67 8.32 0.00 -0.83 -4.98 105.19 111.45 3dmr n GLY 611 Ca -0.00 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3dmr n GLY 611 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dmr s TYR 612 N -3.28 3.42 0.24 1.61 2.02 -1.26 -4.96 117.35 115.13 3dmr s TYR 612 Ca 0.52 1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 58.17 3dmr s TYR 612 Cb -0.23 -2.80 0.29 0.00 -0.40 0.00 0.00 41.96 38.82 3dmr s TYR 612 CO 0.65 -0.12 1.89 0.38 -1.57 0.00 0.00 175.55 176.78 3dmr h ASP 613 N 7.31 0.99 -0.34 2.29 2.03 -2.00 -2.55 116.42 124.14 3dmr h ASP 613 Ca -0.33 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 3dmr h ASP 613 Cb 1.15 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 3dmr h ASP 613 CO 0.78 0.67 0.00 -0.90 -1.03 0.00 0.00 179.24 178.76 3dmr n ASP 614 N -4.51 2.53 -3.03 4.15 5.68 -1.26 -4.42 116.55 115.68 3dmr n ASP 614 Ca 0.12 -2.18 -0.10 0.00 -0.50 0.00 0.00 54.79 52.13 3dmr n ASP 614 Cb 0.10 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 3dmr n ASP 614 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dmr s PRO 616 N 0.88 -2.04 0.00 0.00 0.02 -1.25 -4.46 135.00 128.14 3dmr s PRO 616 Ca 0.27 0.48 0.11 0.00 0.02 0.00 0.00 61.00 61.88 3dmr s PRO 616 Cb -0.01 -1.45 0.42 0.00 0.02 0.00 0.00 34.50 33.47 3dmr s PRO 616 CO -0.08 -4.38 1.30 0.00 -0.33 0.00 0.00 177.00 173.52 3dmr n ALA 617 N -5.33 2.50 -3.24 -1.55 0.00 -1.26 -4.83 120.51 106.79 3dmr n ALA 617 Ca 0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 3dmr n ALA 617 Cb 0.57 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 3dmr n ALA 617 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3dmr s HIS 618 N -1.77 -0.37 -0.00 0.00 -3.43 -1.26 -0.33 115.29 108.13 3dmr s HIS 618 Ca 0.19 0.34 -0.36 0.00 -0.80 0.00 0.00 55.06 54.44 3dmr s HIS 618 Cb 0.10 0.32 -0.14 0.00 -1.43 0.00 0.00 32.58 31.42 3dmr s HIS 618 CO 0.14 -0.65 1.62 -2.30 -2.00 0.00 0.00 174.74 171.55 3dmr n PRO 619 N 0.31 1.69 -3.89 -0.38 -0.02 -1.26 -4.96 135.00 126.49 3dmr n PRO 619 Ca -0.18 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 3dmr n PRO 619 Cb 0.61 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 3dmr n PRO 619 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dmr s THR 620 N 2.03 0.03 -0.01 3.45 2.01 -1.26 -5.05 115.64 116.84 3dmr s THR 620 Ca 0.87 -0.24 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 3dmr s THR 620 Cb -0.83 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3dmr s THR 620 CO 0.49 -0.13 0.79 0.86 -0.69 0.00 0.00 174.62 175.93 3dmr s TRP 621 N -0.38 3.66 0.01 4.92 -0.11 -1.26 -4.95 118.94 120.83 3dmr s TRP 621 Ca -0.04 1.43 0.00 0.00 1.22 0.00 0.00 56.10 58.71 3dmr s TRP 621 Cb -0.03 -2.88 -0.01 0.00 -1.50 0.00 0.00 33.47 29.06 3dmr s TRP 621 CO -0.00 0.14 -0.02 -1.64 -4.62 0.00 0.00 176.95 170.81 3dmr s MET 622 N 0.52 0.17 -0.01 5.86 -1.94 -1.26 -5.12 119.30 117.52 3dmr s MET 622 Ca 0.41 -0.25 -0.30 0.00 -1.71 0.00 0.00 55.69 53.83 3dmr s MET 622 Cb -0.19 -0.02 -0.05 0.00 2.01 0.00 0.00 34.83 36.57 3dmr s MET 622 CO 0.22 -0.00 1.31 -1.21 -0.01 0.00 0.00 175.02 175.33 3dmr s GLU 623 N -0.56 4.32 0.85 2.03 0.41 -1.26 -5.01 118.70 119.49 3dmr s GLU 623 Ca -0.05 1.85 -0.12 0.00 -0.41 0.00 0.00 54.97 56.24 3dmr s GLU 623 Cb -0.04 -3.52 0.10 0.00 -1.78 0.00 0.00 34.13 28.89 3dmr s GLU 623 CO -0.00 -0.49 1.12 -1.25 -0.49 0.00 0.00 175.26 174.14 3dmr s PRO 624 N 2.11 1.62 0.21 0.39 0.04 -1.26 -4.96 135.00 133.15 3dmr s PRO 624 Ca 0.61 0.47 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 3dmr s PRO 624 Cb -0.29 -1.88 0.23 0.00 0.04 0.00 0.00 34.50 32.60 3dmr s PRO 624 CO 0.25 -1.91 1.63 1.25 0.04 0.00 0.00 177.00 178.27 3dmr h LEU 625 N -1.29 -0.58 -7.39 -3.56 5.85 -1.94 -3.42 115.31 102.98 3dmr h LEU 625 Ca -0.49 0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.28 3dmr h LEU 625 Cb 1.30 0.39 -0.24 0.00 0.37 0.00 0.00 40.66 42.47 3dmr h LEU 625 CO 0.61 -0.21 -0.31 -1.83 -0.34 0.00 0.00 178.44 176.36 3dmr s GLU 626 N -6.23 0.42 0.06 1.25 -1.05 -1.26 -5.08 118.70 106.81 3dmr s GLU 626 Ca -0.14 0.45 -0.16 0.00 -0.15 0.00 0.00 54.97 54.96 3dmr s GLU 626 Cb 0.19 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 34.11 3dmr s GLU 626 CO 0.74 -0.06 0.37 -0.98 0.95 0.00 0.00 175.26 176.28 3dmr s ARG 627 N 0.10 0.92 0.09 -4.83 1.70 -1.26 -4.75 118.95 110.92 3dmr s ARG 627 Ca -0.01 -0.51 -0.31 0.00 -0.47 0.00 0.00 55.73 54.44 3dmr s ARG 627 Cb -0.03 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.66 3dmr s ARG 627 CO 0.01 -0.32 1.90 -0.11 -1.08 0.00 0.00 175.30 175.70 3dmr n LEU 628 N 0.33 4.11 -1.77 -1.89 7.94 -1.26 -2.09 117.00 122.38 3dmr n LEU 628 Ca -0.18 0.95 -0.17 0.00 -1.11 0.00 0.00 56.01 55.51 3dmr n LEU 628 Cb 0.61 -1.54 -0.02 0.00 0.53 0.00 0.00 43.42 42.99 3dmr n LEU 628 CO 0.20 0.20 -0.20 0.47 -1.11 0.00 0.00 177.39 176.94 3dmr n ASP 629 N 6.42 -4.96 -4.86 1.96 8.00 -1.26 -4.99 116.55 116.86 3dmr n ASP 629 Ca 0.19 0.08 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 3dmr n ASP 629 Cb 0.39 -4.03 -0.04 0.00 -0.02 0.00 0.00 41.12 37.41 3dmr n ASP 629 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dmr s GLY 630 N -2.38 2.12 0.05 0.44 0.00 -0.89 -4.97 107.32 101.70 3dmr s GLY 630 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 44.72 44.34 3dmr s GLY 630 CO 0.00 0.19 1.62 -1.55 0.00 0.00 0.00 173.10 173.35 3dmr n PRO 631 N -0.98 1.89 -1.14 2.90 -0.04 -1.26 -1.17 135.00 135.20 3dmr n PRO 631 Ca 0.04 0.69 -0.05 0.00 -0.04 0.00 0.00 63.50 64.13 3dmr n PRO 631 Cb 0.54 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 3dmr n PRO 631 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dmr n GLY 632 N 3.54 0.64 3.67 0.55 0.00 -1.26 -4.95 105.19 107.38 3dmr n GLY 632 Ca 0.19 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 3dmr n GLY 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmr n ALA 633 N 1.09 1.41 0.11 4.61 0.00 -0.31 -4.91 120.51 122.50 3dmr n ALA 633 Ca -0.05 0.42 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 3dmr n ALA 633 Cb 0.33 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.26 3dmr n ALA 633 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3dmr h LYS 634 N 6.44 0.57 -6.25 0.00 3.64 -1.92 -3.47 116.57 115.59 3dmr h LYS 634 Ca -0.45 -0.84 -0.59 0.00 -1.27 0.00 0.00 60.65 57.50 3dmr h LYS 634 Cb 1.25 0.29 -0.09 0.00 -0.41 0.00 0.00 32.23 33.28 3dmr h LYS 634 CO 0.90 1.39 -0.60 0.71 -2.27 0.00 0.00 179.45 179.58 3dmr s TYR 635 N -2.84 3.04 -0.17 1.91 2.02 -1.26 -5.05 117.35 115.00 3dmr s TYR 635 Ca -0.09 -0.06 0.21 0.00 -0.37 0.00 0.00 57.07 56.77 3dmr s TYR 635 Cb 0.05 -1.47 -0.10 0.00 -0.40 0.00 0.00 41.96 40.05 3dmr s TYR 635 CO 0.93 0.52 0.86 -0.35 -1.57 0.00 0.00 175.55 175.95 3dmr n PRO 636 N -0.24 0.62 -4.73 -1.71 -0.04 -1.23 -4.75 135.00 122.93 3dmr n PRO 636 Ca -0.09 0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 3dmr n PRO 636 Cb 0.55 -1.76 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 3dmr n PRO 636 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dmr s LEU 637 N -5.29 2.92 -0.14 1.53 1.43 -0.57 -4.82 118.68 113.75 3dmr s LEU 637 Ca -0.03 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 3dmr s LEU 637 Cb 0.10 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 3dmr s LEU 637 CO 0.82 0.28 0.49 -2.28 0.23 0.00 0.00 176.35 175.89 3dmr s HIS 638 N -0.34 3.48 -0.46 0.29 5.65 -0.19 -0.22 115.29 123.50 3dmr s HIS 638 Ca 0.04 0.86 -0.20 0.00 0.25 0.00 0.00 55.06 56.01 3dmr s HIS 638 Cb -0.13 -2.58 0.03 0.00 -1.18 0.00 0.00 32.58 28.73 3dmr s HIS 638 CO 0.02 0.10 0.62 0.42 -0.65 0.00 0.00 174.74 175.26 3dmr s ILE 639 N 0.87 4.86 -1.05 0.89 1.01 -0.69 -0.34 121.20 126.75 3dmr s ILE 639 Ca 0.25 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.58 3dmr s ILE 639 Cb -0.15 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.14 3dmr s ILE 639 CO 0.10 -0.64 1.53 0.00 0.00 0.00 0.00 174.94 175.93 3dmr s ALA 640 N 2.72 2.69 -1.33 9.38 0.00 0.26 -4.68 121.76 130.81 3dmr s ALA 640 Ca 0.20 -2.28 -0.08 0.00 0.00 0.00 0.00 51.96 49.79 3dmr s ALA 640 Cb -0.16 -4.55 0.13 0.00 0.00 0.00 0.00 23.12 18.54 3dmr s ALA 640 CO 0.16 -3.69 2.17 0.00 0.00 0.00 0.00 175.76 174.41 3dmr n ALA 641 N 9.28 6.12 -2.05 0.00 0.00 -1.25 -3.25 120.51 129.36 3dmr n ALA 641 Ca 0.36 -4.15 -0.02 0.00 0.00 0.00 0.00 53.44 49.62 3dmr n ALA 641 Cb 0.50 -2.95 0.01 0.00 0.00 0.00 0.00 19.45 17.02 3dmr n ALA 641 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dmr n SER 642 N 3.06 0.11 -4.75 0.00 3.41 -1.26 -4.32 113.62 109.87 3dmr n SER 642 Ca 0.52 -1.10 -0.40 0.00 -0.26 0.00 0.00 58.87 57.63 3dmr n SER 642 Cb 0.31 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 3dmr n SER 642 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3dmr s HIS 643 N -0.31 3.80 0.36 7.33 3.76 -1.26 -0.44 115.29 128.53 3dmr s HIS 643 Ca 0.07 1.60 -0.28 0.00 -0.15 0.00 0.00 55.06 56.30 3dmr s HIS 643 Cb -0.00 -2.88 -0.10 0.00 1.11 0.00 0.00 32.58 30.71 3dmr s HIS 643 CO 0.04 0.31 1.38 -1.25 -0.85 0.00 0.00 174.74 174.37 3dmr s PRO 644 N -0.30 4.18 0.04 8.40 0.04 -1.26 -4.89 135.00 141.21 3dmr s PRO 644 Ca 0.40 2.35 -0.17 0.00 0.04 0.00 0.00 61.00 63.62 3dmr s PRO 644 Cb -0.22 -2.97 -0.21 0.00 0.04 0.00 0.00 34.50 31.14 3dmr s PRO 644 CO 0.26 -0.39 1.17 0.35 0.04 0.00 0.00 177.00 178.43 3dmr h PHE 645 N 3.09 0.80 -0.63 0.56 3.04 -1.95 -3.34 116.94 118.51 3dmr h PHE 645 Ca -0.50 -0.41 -0.34 0.00 3.98 0.00 0.00 57.97 60.70 3dmr h PHE 645 Cb 1.24 -0.10 -0.20 0.00 2.56 0.00 0.00 35.95 39.44 3dmr h PHE 645 CO 0.54 1.22 0.21 0.09 -2.02 0.00 0.00 178.31 178.35 3dmr n ASN 646 N -4.09 3.25 -3.82 0.41 3.02 -1.26 -4.94 115.26 107.83 3dmr n ASN 646 Ca -0.10 -3.73 -0.09 0.00 -0.03 0.00 0.00 54.58 50.63 3dmr n ASN 646 Cb 0.72 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 3dmr n ASN 646 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dmr s ARG 647 N -3.31 0.88 -0.60 3.52 0.52 -1.26 -4.93 118.95 113.76 3dmr s ARG 647 Ca 0.50 -0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 3dmr s ARG 647 Cb 0.44 0.36 0.16 0.00 0.52 0.00 0.00 34.95 36.43 3dmr s ARG 647 CO 0.04 -0.29 0.47 -1.17 0.02 0.00 0.00 175.30 174.37 3dmr s LEU 648 N -2.84 5.79 0.00 2.53 2.96 -1.16 -4.58 118.68 121.37 3dmr s LEU 648 Ca 0.05 -2.41 0.00 0.00 -0.22 0.00 0.00 54.13 51.54 3dmr s LEU 648 Cb 0.04 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.73 3dmr s LEU 648 CO -0.11 -0.56 0.00 1.41 -1.32 0.00 0.00 176.35 175.77 3dmr n HIS 649 N 4.21 0.00 0.53 5.38 8.25 -1.26 -0.12 115.22 132.21 3dmr n HIS 649 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 3dmr n HIS 649 Cb 0.41 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.60 3dmr n HIS 649 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3dmr n SER 650 N 10.09 0.65 -4.75 0.41 3.41 -1.25 -4.34 113.62 117.83 3dmr n SER 650 Ca 0.00 -0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 3dmr n SER 650 Cb 0.00 0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3dmr n SER 650 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dmr n GLN 651 N -2.07 2.72 -0.99 4.33 6.02 0.83 -2.48 117.38 125.75 3dmr n GLN 651 Ca 0.02 0.97 0.00 0.00 -0.01 0.00 0.00 57.00 57.98 3dmr n GLN 651 Cb 0.45 -2.75 0.00 0.00 1.02 0.00 0.00 30.24 28.96 3dmr n GLN 651 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3dmr n LEU 652 N 1.97 0.00 -0.02 1.08 4.77 -1.26 -3.01 117.00 120.53 3dmr n LEU 652 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 3dmr n LEU 652 Cb 0.37 -0.49 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 3dmr n LEU 652 CO 0.64 0.00 0.57 -1.13 -1.33 0.00 0.00 177.39 176.14 3dmr h ASN 653 N 0.00 0.66 -1.87 -1.43 -1.24 -1.84 -3.24 115.58 106.62 3dmr h ASN 653 Ca 0.00 -0.31 -0.74 0.00 0.71 0.00 0.00 56.30 55.96 3dmr h ASN 653 Cb 0.00 -0.19 -0.24 0.00 0.73 0.00 0.00 38.32 38.62 3dmr h ASN 653 CO 0.00 1.00 1.09 0.61 -1.29 0.00 0.00 177.43 178.84 3dmr n GLY 654 N 0.05 5.52 3.29 1.57 0.00 -1.26 -4.55 105.19 109.81 3dmr n GLY 654 Ca -0.02 -2.39 -0.20 0.00 0.00 0.00 0.00 46.02 43.41 3dmr n GLY 654 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dmr s THR 655 N -4.10 0.00 0.45 2.61 -4.23 -1.22 -4.71 115.64 104.43 3dmr s THR 655 Ca 0.49 -1.99 0.28 0.00 -1.18 0.00 0.00 61.69 59.29 3dmr s THR 655 Cb 0.33 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.97 3dmr s THR 655 CO -0.27 0.00 2.11 -0.37 -0.54 0.00 0.00 174.62 175.55 3dmr h VAL 656 N 2.12 0.56 -0.25 2.29 -1.51 -1.90 -2.78 116.25 114.78 3dmr h VAL 656 Ca -0.25 -0.42 0.06 0.00 -1.23 0.00 0.00 66.70 64.87 3dmr h VAL 656 Cb 1.23 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 3dmr h VAL 656 CO 0.36 0.09 0.18 -0.07 -1.23 0.00 0.00 177.57 176.90 3dmr h LEU 657 N 0.00 0.04 -2.32 4.19 3.38 -1.93 -2.85 115.31 115.82 3dmr h LEU 657 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dmr h LEU 657 Cb 0.26 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dmr h LEU 657 CO 0.01 0.02 -0.00 -0.09 0.09 0.00 0.00 178.44 178.47 3dmr h ARG 658 N 0.04 0.00 -0.15 1.13 2.43 -1.73 -2.34 114.38 113.76 3dmr h ARG 658 Ca 0.12 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3dmr h ARG 658 Cb 0.42 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3dmr h ARG 658 CO -0.01 0.00 -0.09 1.49 -1.51 0.00 0.00 179.97 179.86 3dmr h GLU 659 N 0.00 0.23 0.00 0.20 4.57 -1.74 -0.83 114.58 117.01 3dmr h GLU 659 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3dmr h GLU 659 Cb 0.01 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3dmr h GLU 659 CO 0.00 0.34 0.00 0.41 -1.18 0.00 0.00 179.01 178.58 3dmr n GLY 660 N -0.99 -1.55 0.00 1.92 0.00 -0.88 -4.28 105.19 99.41 3dmr n GLY 660 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3dmr n GLY 660 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dmr n TYR 661 N -2.24 0.00 -2.01 1.61 0.18 -1.03 -5.08 117.16 108.59 3dmr n TYR 661 Ca 0.04 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.47 3dmr n TYR 661 Cb 0.36 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.35 3dmr n TYR 661 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3dmr s ALA 662 N -0.82 2.54 -0.29 -3.48 0.00 -0.34 -4.32 121.76 115.05 3dmr s ALA 662 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3dmr s ALA 662 Cb 0.00 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.79 3dmr s ALA 662 CO 0.00 -1.12 -0.02 0.08 0.00 0.00 0.00 175.76 174.70 3dmr s VAL 663 N -1.76 1.97 -1.34 0.00 1.01 -0.03 -4.63 120.40 115.62 3dmr s VAL 663 Ca 0.75 -1.82 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 3dmr s VAL 663 Cb -0.27 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3dmr s VAL 663 CO 0.33 -0.33 0.38 0.00 0.00 0.00 0.00 175.10 175.48 3dmr n GLN 664 N 4.44 -3.42 -0.16 2.72 6.02 -1.26 -1.95 117.38 123.77 3dmr n GLN 664 Ca -0.05 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 3dmr n GLN 664 Cb 0.42 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 26.39 3dmr n GLN 664 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dmr n GLY 665 N -1.30 1.81 3.90 1.08 0.00 -1.26 -5.04 105.19 104.37 3dmr n GLY 665 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 3dmr n GLY 665 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dmr s HIS 666 N -2.86 3.00 0.32 1.61 3.76 -0.82 -4.99 115.29 115.31 3dmr s HIS 666 Ca 0.00 -0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 54.36 3dmr s HIS 666 Cb 0.00 -1.83 -0.11 0.00 1.11 0.00 0.00 32.58 31.76 3dmr s HIS 666 CO 0.00 0.15 1.44 -2.00 -0.85 0.00 0.00 174.74 173.48 3dmr s GLU 667 N -4.04 4.22 0.58 1.40 2.56 -0.86 -0.85 118.70 121.71 3dmr s GLU 667 Ca 0.41 2.40 -0.18 0.00 0.00 0.00 0.00 54.97 57.61 3dmr s GLU 667 Cb -0.07 -3.04 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 3dmr s GLU 667 CO 0.28 -0.42 1.11 -1.25 -0.56 0.00 0.00 175.26 174.42 3dmr s PRO 668 N -1.31 3.18 -0.13 4.30 0.04 -1.26 -1.44 135.00 138.39 3dmr s PRO 668 Ca 0.55 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 3dmr s PRO 668 Cb -0.44 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.15 3dmr s PRO 668 CO 0.53 -0.96 -0.02 0.00 0.04 0.00 0.00 177.00 176.59 3dmr s LEU 670 N 1.83 4.19 0.01 0.00 1.43 -0.68 -0.96 118.68 124.51 3dmr s LEU 670 Ca 0.03 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 3dmr s LEU 670 Cb -0.14 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 3dmr s LEU 670 CO -0.07 -0.32 -0.12 -0.32 0.23 0.00 0.00 176.35 175.75 3dmr s MET 671 N 1.89 0.92 0.35 1.70 1.75 -0.62 -2.25 119.30 123.04 3dmr s MET 671 Ca 0.35 -0.57 -0.27 0.00 -1.25 0.00 0.00 55.69 53.96 3dmr s MET 671 Cb -0.16 -0.89 -0.09 0.00 2.84 0.00 0.00 34.83 36.52 3dmr s MET 671 CO 0.13 0.23 1.14 -1.58 -0.65 0.00 0.00 175.02 174.29 3dmr s HIS 672 N -0.56 3.27 0.33 4.11 2.46 -1.21 -0.72 115.29 122.96 3dmr s HIS 672 Ca 0.03 1.60 0.08 0.00 0.47 0.00 0.00 55.06 57.24 3dmr s HIS 672 Cb -0.06 -3.34 0.79 0.00 -0.13 0.00 0.00 32.58 29.84 3dmr s HIS 672 CO 0.00 -1.00 1.81 -1.00 -2.47 0.00 0.00 174.74 172.09 3dmr h PRO 673 N 3.06 0.71 -0.52 2.88 0.13 -1.93 -1.02 132.00 135.30 3dmr h PRO 673 Ca -0.48 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 3dmr h PRO 673 Cb 1.22 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3dmr h PRO 673 CO 0.64 0.47 -0.09 -0.44 -0.23 0.00 0.00 178.00 178.35 3dmr h ASP 674 N 0.73 0.99 0.66 1.44 3.32 -1.95 0.35 116.42 121.95 3dmr h ASP 674 Ca 0.53 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3dmr h ASP 674 Cb 0.86 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3dmr h ASP 674 CO -0.30 1.10 -0.43 0.44 -1.72 0.00 0.00 179.24 178.33 3dmr h ASP 675 N 0.85 0.00 0.02 6.45 3.32 -1.74 -2.18 116.42 123.14 3dmr h ASP 675 Ca 0.14 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 3dmr h ASP 675 Cb 0.65 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.21 3dmr h ASP 675 CO 0.04 0.43 -0.56 0.00 -1.72 0.00 0.00 179.24 177.44 3dmr h ALA 676 N 1.57 0.04 -0.13 3.45 0.00 -0.96 -3.28 119.26 119.94 3dmr h ALA 676 Ca -0.00 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.38 3dmr h ALA 676 Cb 0.88 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3dmr h ALA 676 CO 0.06 0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.45 3dmr h ALA 677 N 0.27 -0.07 -0.68 0.00 0.00 -0.15 0.37 119.26 118.99 3dmr h ALA 677 Ca -0.07 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.06 3dmr h ALA 677 Cb 1.30 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 3dmr h ALA 677 CO 0.11 -0.61 0.48 0.00 0.00 0.00 0.00 179.25 179.23 3dmr h ALA 678 N 0.87 2.45 -0.31 0.00 0.00 -1.51 0.23 119.26 120.99 3dmr h ALA 678 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dmr h ALA 678 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dmr h ALA 678 CO -0.25 -0.64 0.00 0.54 0.00 0.00 0.00 179.25 178.90 3dmr n ARG 679 N -4.39 2.48 -3.44 0.00 1.74 -0.90 -4.95 116.66 107.20 3dmr n ARG 679 Ca 0.13 -2.21 -0.18 0.00 -0.77 0.00 0.00 57.85 54.82 3dmr n ARG 679 Cb 0.66 -1.51 0.09 0.00 -1.02 0.00 0.00 32.46 30.68 3dmr n ARG 679 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmr n GLY 680 N 1.48 -0.38 3.47 -0.13 0.00 0.81 -4.68 105.19 105.76 3dmr n GLY 680 Ca 0.18 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 3dmr n GLY 680 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmr s ILE 681 N -3.35 3.84 0.12 -0.61 1.01 0.12 -4.94 121.20 117.39 3dmr s ILE 681 Ca 0.11 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3dmr s ILE 681 Cb -0.05 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3dmr s ILE 681 CO 0.72 0.47 0.04 0.00 0.00 0.00 0.00 174.94 176.17 3dmr s ALA 682 N 0.58 3.36 0.09 9.38 0.00 -1.26 -4.34 121.76 129.57 3dmr s ALA 682 Ca -0.02 -1.17 -0.33 0.00 0.00 0.00 0.00 51.96 50.43 3dmr s ALA 682 Cb -0.14 -1.21 -0.13 0.00 0.00 0.00 0.00 23.12 21.64 3dmr s ALA 682 CO 0.02 0.63 1.71 -3.47 0.00 0.00 0.00 175.76 174.65 3dmr n ASP 683 N 0.24 3.39 0.00 0.00 2.03 -1.26 -1.94 116.55 119.00 3dmr n ASP 683 Ca -0.10 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.25 3dmr n ASP 683 Cb 0.53 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 3dmr n ASP 683 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dmr n GLY 684 N 3.85 0.26 3.78 0.27 0.00 -0.01 -5.00 105.19 108.33 3dmr n GLY 684 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3dmr n GLY 684 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dmr s ASP 685 N -1.94 5.95 0.03 1.61 1.01 -0.82 -4.69 116.67 117.82 3dmr s ASP 685 Ca 0.00 2.17 -0.28 0.00 0.71 0.00 0.00 52.55 55.14 3dmr s ASP 685 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3dmr s ASP 685 CO 0.00 -1.06 0.91 -0.69 0.21 0.00 0.00 175.17 174.53 3dmr s VAL 686 N -1.74 4.76 0.21 -1.27 1.01 -1.26 -1.50 120.40 120.60 3dmr s VAL 686 Ca 0.69 1.92 0.07 0.00 0.00 0.00 0.00 61.98 64.67 3dmr s VAL 686 Cb -0.24 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 3dmr s VAL 686 CO 0.28 0.25 -0.13 0.68 0.00 0.00 0.00 175.10 176.18 3dmr s VAL 687 N 0.50 1.67 -0.25 2.92 -7.23 0.04 -1.76 120.40 116.29 3dmr s VAL 687 Ca 0.46 -2.19 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 3dmr s VAL 687 Cb -0.21 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 3dmr s VAL 687 CO 0.27 -0.57 0.06 -0.60 -0.31 0.00 0.00 175.10 173.95 3dmr s ARG 688 N -3.67 3.64 -0.18 4.82 3.52 0.49 -1.82 118.95 125.74 3dmr s ARG 688 Ca 0.23 -0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 55.28 3dmr s ARG 688 Cb 0.00 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3dmr s ARG 688 CO 0.07 -0.18 0.04 0.08 -0.81 0.00 0.00 175.30 174.50 3dmr s VAL 689 N 1.59 4.52 0.15 7.11 1.01 0.11 -1.89 120.40 133.00 3dmr s VAL 689 Ca 0.06 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 3dmr s VAL 689 Cb -0.15 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.24 3dmr s VAL 689 CO 0.03 0.45 0.50 -1.38 0.00 0.00 0.00 175.10 174.70 3dmr s HIS 690 N 0.54 -0.29 0.00 5.22 -0.00 -0.43 -0.13 115.29 120.19 3dmr s HIS 690 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 55.06 55.08 3dmr s HIS 690 Cb -0.13 0.39 0.00 0.00 -0.00 0.00 0.00 32.58 32.84 3dmr s HIS 690 CO 0.01 -0.81 0.00 0.27 -0.00 0.00 0.00 174.74 174.22 3dmr n ASN 691 N -0.30 0.00 0.14 7.38 0.23 -0.87 -1.30 115.26 120.53 3dmr n ASN 691 Ca -0.15 -0.15 0.13 0.00 -0.53 0.00 0.00 54.58 53.88 3dmr n ASN 691 Cb 0.64 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.79 3dmr n ASN 691 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3dmr h ASP 692 N 0.00 0.00 0.34 0.53 3.32 -1.95 -3.30 116.42 115.37 3dmr h ASP 692 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3dmr h ASP 692 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3dmr h ASP 692 CO 0.00 0.00 -1.91 0.54 -1.72 0.00 0.00 179.24 176.15 3dmr n ARG 693 N -2.36 0.65 -3.26 3.56 1.74 -1.26 -5.06 116.66 110.67 3dmr n ARG 693 Ca 0.03 0.21 0.01 0.00 -0.77 0.00 0.00 57.85 57.34 3dmr n ARG 693 Cb 0.33 -1.71 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 3dmr n ARG 693 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmr n GLY 694 N 1.63 0.43 3.03 -0.13 0.00 -1.22 -4.69 105.19 104.23 3dmr n GLY 694 Ca -0.22 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 3dmr n GLY 694 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dmr s GLN 695 N -2.01 0.19 0.05 1.61 -2.07 -1.26 -2.05 119.66 114.11 3dmr s GLN 695 Ca 0.19 0.15 -0.01 0.00 -1.82 0.00 0.00 55.36 53.87 3dmr s GLN 695 Cb -0.01 0.09 -0.03 0.00 -1.09 0.00 0.00 33.01 31.97 3dmr s GLN 695 CO 0.00 -0.03 -0.02 0.96 -1.32 0.00 0.00 175.29 174.89 3dmr s ILE 696 N -0.05 0.20 -0.13 3.63 -4.36 0.81 -2.48 121.20 118.82 3dmr s ILE 696 Ca -0.01 -1.62 -0.05 0.00 -0.26 0.00 0.00 60.65 58.71 3dmr s ILE 696 Cb -0.02 -1.29 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 3dmr s ILE 696 CO 0.00 -0.89 0.05 -0.76 0.24 0.00 0.00 174.94 173.58 3dmr s LEU 697 N -2.65 3.83 0.32 0.37 1.43 -0.74 0.04 118.68 121.27 3dmr s LEU 697 Ca 0.03 0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 3dmr s LEU 697 Cb 0.05 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3dmr s LEU 697 CO -0.08 0.30 0.23 0.42 0.23 0.00 0.00 176.35 177.45 3dmr s THR 698 N -0.37 0.09 -0.14 5.49 -4.23 -0.76 -3.39 115.64 112.33 3dmr s THR 698 Ca 0.09 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3dmr s THR 698 Cb -0.12 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.25 3dmr s THR 698 CO 0.02 0.00 -0.20 -0.83 -0.54 0.00 0.00 174.62 173.07 3dmr s GLY 699 N -3.37 1.28 0.23 3.99 0.00 -0.52 -0.78 107.32 108.15 3dmr s GLY 699 Ca 0.38 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 3dmr s GLY 699 CO 0.23 0.07 0.99 0.14 0.00 0.00 0.00 173.10 174.54 3dmr s VAL 700 N 0.91 3.95 -0.22 1.40 1.01 -0.56 -0.28 120.40 126.60 3dmr s VAL 700 Ca -0.06 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.84 3dmr s VAL 700 Cb -0.15 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.07 3dmr s VAL 700 CO -0.03 0.43 -0.08 -0.54 0.00 0.00 0.00 175.10 174.88 3dmr s LYS 701 N -1.09 1.86 -0.18 2.72 1.02 -0.13 -0.83 119.74 123.11 3dmr s LYS 701 Ca 0.43 -0.96 -0.27 0.00 0.02 0.00 0.00 55.97 55.19 3dmr s LYS 701 Cb -0.27 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3dmr s LYS 701 CO 0.34 -0.52 0.92 0.08 -0.92 0.00 0.00 175.35 175.25 3dmr s VAL 702 N 1.37 4.81 0.07 3.17 1.01 -1.26 -1.58 120.40 127.98 3dmr s VAL 702 Ca -0.04 1.81 -0.17 0.00 0.00 0.00 0.00 61.98 63.57 3dmr s VAL 702 Cb -0.18 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.02 3dmr s VAL 702 CO -0.07 -0.04 0.40 -0.89 0.00 0.00 0.00 175.10 174.50 3dmr s THR 703 N 2.46 0.06 -0.53 3.92 2.01 0.10 -4.93 115.64 118.72 3dmr s THR 703 Ca 0.41 -0.52 0.16 0.00 0.31 0.00 0.00 61.69 62.05 3dmr s THR 703 Cb -0.16 -1.03 0.75 0.00 0.01 0.00 0.00 72.50 72.06 3dmr s THR 703 CO 0.11 -0.29 1.67 -0.90 -0.69 0.00 0.00 174.62 174.53 3dmr n ASP 704 N 0.24 5.18 0.03 3.53 5.75 -1.26 -3.35 116.55 126.67 3dmr n ASP 704 Ca -0.18 -2.77 -0.07 0.00 -0.01 0.00 0.00 54.79 51.76 3dmr n ASP 704 Cb 0.61 -0.63 0.10 0.00 -1.03 0.00 0.00 41.12 40.18 3dmr n ASP 704 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dmr h ALA 705 N 3.74 0.82 -2.67 2.12 0.00 -1.93 -3.42 119.26 117.93 3dmr h ALA 705 Ca 0.00 -0.49 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 3dmr h ALA 705 Cb 1.73 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 3dmr h ALA 705 CO 0.37 0.67 -0.17 0.14 0.00 0.00 0.00 179.25 180.26 3dmr s VAL 706 N -4.01 4.98 0.77 0.00 -7.23 -1.26 0.03 120.40 113.68 3dmr s VAL 706 Ca -0.06 0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 60.83 3dmr s VAL 706 Cb 0.12 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.38 3dmr s VAL 706 CO 0.82 0.50 1.09 0.00 -0.31 0.00 0.00 175.10 177.19 3dmr s MET 707 N -1.30 2.31 0.25 4.82 0.23 -0.91 -4.63 119.30 120.08 3dmr s MET 707 Ca 0.27 1.10 -0.30 0.00 -1.03 0.00 0.00 55.69 55.73 3dmr s MET 707 Cb -0.16 -1.91 -0.11 0.00 -1.53 0.00 0.00 34.83 31.12 3dmr s MET 707 CO 0.15 -1.58 1.54 0.21 -2.03 0.00 0.00 175.02 173.31 3dmr s LYS 708 N -4.94 4.19 0.00 3.16 2.20 -1.26 -2.28 119.74 120.82 3dmr s LYS 708 Ca 0.61 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 3dmr s LYS 708 Cb -0.17 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3dmr s LYS 708 CO 0.56 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3dmr n GLY 709 N 2.55 0.72 3.25 5.54 0.00 -1.26 -5.05 105.19 110.94 3dmr n GLY 709 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3dmr n GLY 709 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmr s VAL 710 N -2.35 1.92 0.15 1.61 1.01 -0.96 -1.02 120.40 120.75 3dmr s VAL 710 Ca 0.00 -1.01 0.11 0.00 0.00 0.00 0.00 61.98 61.08 3dmr s VAL 710 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3dmr s VAL 710 CO 0.00 0.54 -0.23 0.27 0.00 0.00 0.00 175.10 175.68 3dmr s ILE 711 N -0.27 2.49 -0.26 2.22 -4.36 0.54 -4.55 121.20 117.01 3dmr s ILE 711 Ca 0.01 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 3dmr s ILE 711 Cb -0.12 -2.15 0.05 0.00 1.25 0.00 0.00 42.46 41.49 3dmr s ILE 711 CO 0.02 0.01 -0.09 -1.58 0.24 0.00 0.00 174.94 173.54 3dmr s GLN 712 N -2.33 2.49 -0.27 0.37 0.74 -0.95 0.92 119.66 120.63 3dmr s GLN 712 Ca 0.18 -1.19 0.01 0.00 0.05 0.00 0.00 55.36 54.40 3dmr s GLN 712 Cb -0.09 -2.93 0.07 0.00 1.10 0.00 0.00 33.01 31.17 3dmr s GLN 712 CO 0.09 -0.50 -0.01 0.42 -0.55 0.00 0.00 175.29 174.74 3dmr s ILE 713 N 1.20 1.52 0.49 -2.34 1.01 -1.20 -1.68 121.20 120.20 3dmr s ILE 713 Ca -0.05 -1.43 -0.23 0.00 0.00 0.00 0.00 60.65 58.94 3dmr s ILE 713 Cb -0.18 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 3dmr s ILE 713 CO -0.05 -0.29 1.28 -0.31 0.00 0.00 0.00 174.94 175.57 3dmr s TYR 714 N 1.36 2.58 0.84 3.97 2.02 -1.26 -3.89 117.35 122.96 3dmr s TYR 714 Ca -0.00 1.43 -0.11 0.00 -0.37 0.00 0.00 57.07 58.02 3dmr s TYR 714 Cb -0.19 -3.63 0.09 0.00 -0.40 0.00 0.00 41.96 37.84 3dmr s TYR 714 CO -0.10 -2.28 1.09 -1.83 -1.57 0.00 0.00 175.55 170.87 3dmr s GLU 715 N -2.72 1.74 0.00 -0.62 4.04 0.41 -4.36 118.70 117.18 3dmr s GLU 715 Ca 0.66 0.96 0.00 0.00 0.04 0.00 0.00 54.97 56.63 3dmr s GLU 715 Cb -0.36 -1.85 0.00 0.00 0.02 0.00 0.00 34.13 31.94 3dmr s GLU 715 CO 0.43 -1.95 0.00 0.41 -1.84 0.00 0.00 175.26 172.32 3dmr n GLY 716 N -1.21 0.49 3.77 -3.83 0.00 -1.26 -4.26 105.19 98.89 3dmr n GLY 716 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3dmr n GLY 716 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dmr s GLY 717 N -1.39 2.98 -0.44 -0.02 0.00 -1.26 -3.96 107.32 103.23 3dmr s GLY 717 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 3dmr s GLY 717 CO 0.00 1.85 1.32 -0.98 0.00 0.00 0.00 173.10 175.30 3dmr s TRP 718 N -1.18 2.53 -0.22 1.90 0.52 -1.26 -4.30 118.94 116.93 3dmr s TRP 718 Ca 0.51 0.68 -0.39 0.00 0.02 0.00 0.00 56.10 56.92 3dmr s TRP 718 Cb -0.39 -4.36 -0.15 0.00 -1.15 0.00 0.00 33.47 27.42 3dmr s TRP 718 CO 0.51 -1.75 1.73 0.98 0.02 0.00 0.00 176.95 178.44 3dmr n TYR 719 N 8.53 2.06 -3.65 -1.98 9.36 -1.26 -4.56 117.16 125.67 3dmr n TYR 719 Ca 0.15 0.46 -0.28 0.00 3.32 0.00 0.00 57.90 61.55 3dmr n TYR 719 Cb 0.48 -2.48 -0.11 0.00 -0.63 0.00 0.00 39.34 36.60 3dmr n TYR 719 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3dmr s ASP 720 N 3.36 3.15 0.24 2.98 2.15 -1.26 -4.73 116.67 122.56 3dmr s ASP 720 Ca 0.96 -3.31 -0.30 0.00 0.43 0.00 0.00 52.55 50.33 3dmr s ASP 720 Cb -1.00 -1.01 -0.10 0.00 -0.30 0.00 0.00 42.92 40.51 3dmr s ASP 720 CO 0.62 -0.15 1.50 -2.16 -0.17 0.00 0.00 175.17 174.81 3dmr s PRO 721 N -0.49 4.22 0.16 4.34 0.04 -1.26 -1.19 135.00 140.82 3dmr s PRO 721 Ca 0.27 2.37 -0.16 0.00 0.04 0.00 0.00 61.00 63.53 3dmr s PRO 721 Cb -0.04 -3.10 0.04 0.00 0.04 0.00 0.00 34.50 31.44 3dmr s PRO 721 CO -0.15 -0.50 1.80 0.77 0.04 0.00 0.00 177.00 178.95 3dmr h SER 722 N 5.33 0.39 -2.45 6.66 0.02 -1.73 -3.42 113.55 118.35 3dmr h SER 722 Ca -0.46 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.33 3dmr h SER 722 Cb 1.22 -0.08 -0.31 0.00 0.14 0.00 0.00 62.40 63.37 3dmr h SER 722 CO 0.81 0.28 -0.48 -0.62 -1.14 0.00 0.00 176.83 175.68 3dmr s ASP 723 N -5.51 0.24 0.51 3.07 -1.08 -1.26 -5.04 116.67 107.60 3dmr s ASP 723 Ca -0.13 0.53 0.25 0.00 -0.52 0.00 0.00 52.55 52.68 3dmr s ASP 723 Cb 0.11 0.98 1.40 0.00 -1.46 0.00 0.00 42.92 43.96 3dmr s ASP 723 CO 0.72 -0.26 2.07 -0.37 0.52 0.00 0.00 175.17 177.85 3dmr h VAL 724 N 6.23 0.67 -0.00 1.11 -1.51 -1.91 -2.52 116.25 118.31 3dmr h VAL 724 Ca -0.16 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3dmr h VAL 724 Cb 1.13 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 3dmr h VAL 724 CO 0.18 0.12 -0.15 0.35 -1.23 0.00 0.00 177.57 176.84 3dmr n THR 725 N -3.79 0.00 -3.54 7.19 -2.24 -1.26 -4.74 114.28 105.90 3dmr n THR 725 Ca -0.02 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 3dmr n THR 725 Cb 0.22 0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 3dmr n THR 725 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dmr s GLU 726 N -2.49 3.56 0.20 -0.78 2.12 -0.95 -5.05 118.70 115.30 3dmr s GLU 726 Ca 0.27 -0.60 -0.33 0.00 0.36 0.00 0.00 54.97 54.68 3dmr s GLU 726 Cb 0.20 -3.79 -0.13 0.00 0.26 0.00 0.00 34.13 30.67 3dmr s GLU 726 CO 0.49 -0.41 1.54 -2.30 -0.54 0.00 0.00 175.26 174.04 3dmr n PRO 727 N 5.10 2.22 -1.97 4.30 -0.02 -1.26 -1.74 135.00 141.62 3dmr n PRO 727 Ca -0.13 0.80 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 3dmr n PRO 727 Cb 0.50 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 3dmr n PRO 727 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmr n GLY 728 N 2.99 0.53 3.55 -1.23 0.00 -1.26 -4.95 105.19 104.82 3dmr n GLY 728 Ca 0.15 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3dmr n GLY 728 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dmr n THR 729 N -3.37 1.64 -2.51 2.61 5.66 -0.71 -4.71 114.28 112.90 3dmr n THR 729 Ca -0.19 -0.29 -0.41 0.00 -3.05 0.00 0.00 64.05 60.11 3dmr n THR 729 Cb 0.62 -0.91 -0.04 0.00 -1.55 0.00 0.00 70.33 68.45 3dmr n THR 729 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3dmr s LEU 730 N -2.48 4.49 -0.23 1.09 2.96 -1.26 -4.71 118.68 118.54 3dmr s LEU 730 Ca 0.67 2.10 -0.25 0.00 -0.22 0.00 0.00 54.13 56.43 3dmr s LEU 730 Cb -0.30 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.78 3dmr s LEU 730 CO 0.57 -0.23 0.83 -0.62 -1.32 0.00 0.00 176.35 175.58 3dmr s ASP 731 N -0.11 6.86 0.27 3.68 2.15 -1.03 -1.99 116.67 126.50 3dmr s ASP 731 Ca 0.49 1.07 0.25 0.00 0.43 0.00 0.00 52.55 54.79 3dmr s ASP 731 Cb -0.29 -2.44 0.59 0.00 -0.30 0.00 0.00 42.92 40.47 3dmr s ASP 731 CO 0.35 -0.50 1.65 0.11 -0.17 0.00 0.00 175.17 176.61 3dmr h LYS 732 N 7.61 0.00 0.00 4.34 1.57 -1.48 -1.98 116.57 126.63 3dmr h LYS 732 Ca -0.24 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.11 3dmr h LYS 732 Cb 1.10 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 3dmr h LYS 732 CO 0.87 0.00 -2.43 0.98 -0.57 0.00 0.00 179.45 178.30 3dmr n TYR 733 N -2.52 0.00 0.00 -1.35 9.36 -1.26 -4.68 117.16 116.71 3dmr n TYR 733 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 3dmr n TYR 733 Cb 0.47 -0.95 0.00 0.00 -0.63 0.00 0.00 39.34 38.23 3dmr n TYR 733 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dmr n GLY 734 N 1.30 0.36 3.55 2.98 0.00 -1.22 -2.04 105.19 110.12 3dmr n GLY 734 Ca -0.51 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3dmr n GLY 734 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dmr s ASP 735 N 0.00 6.34 0.65 1.61 2.15 -1.26 -4.33 116.67 121.82 3dmr s ASP 735 Ca 0.00 -0.23 0.41 0.00 0.43 0.00 0.00 52.55 53.16 3dmr s ASP 735 Cb 0.00 -2.51 2.21 0.00 -0.30 0.00 0.00 42.92 42.32 3dmr s ASP 735 CO 0.00 -1.47 2.24 1.62 -0.17 0.00 0.00 175.17 177.39 3dmr h VAL 736 N 6.08 0.00 0.00 1.11 3.04 -1.87 -2.16 116.25 122.45 3dmr h VAL 736 Ca -0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 3dmr h VAL 736 Cb 1.06 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 3dmr h VAL 736 CO 1.17 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 178.32 3dmr n ASN 737 N -2.99 0.00 0.16 3.17 3.02 -1.26 -2.55 115.26 114.81 3dmr n ASN 737 Ca -0.03 -1.20 0.13 0.00 -0.03 0.00 0.00 54.58 53.45 3dmr n ASN 737 Cb 0.14 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.64 3dmr n ASN 737 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3dmr h VAL 738 N 0.00 0.00 0.00 2.41 2.07 -1.72 -1.42 116.25 117.60 3dmr h VAL 738 Ca 0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3dmr h VAL 738 Cb 0.00 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3dmr h VAL 738 CO 0.00 0.00 -1.39 0.18 0.02 0.00 0.00 177.57 176.38 3dmr n LEU 739 N -2.64 0.26 -4.86 2.57 4.77 -1.06 -3.45 117.00 112.60 3dmr n LEU 739 Ca 0.04 -0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.54 3dmr n LEU 739 Cb 0.45 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3dmr n LEU 739 CO 0.31 0.07 0.73 -0.94 -1.33 0.00 0.00 177.39 176.22 3dmr s SER 740 N -3.39 5.87 0.14 -1.43 1.04 -1.24 -4.83 113.70 109.85 3dmr s SER 740 Ca -0.02 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 57.77 3dmr s SER 740 Cb 0.11 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 3dmr s SER 740 CO 0.67 -1.10 0.32 0.00 0.98 0.00 0.00 173.24 174.11 3dmr s ALA 741 N -3.20 3.89 -0.97 5.32 0.00 -1.26 -2.29 121.76 123.24 3dmr s ALA 741 Ca 0.56 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 3dmr s ALA 741 Cb -0.12 -1.97 0.25 0.00 0.00 0.00 0.00 23.12 21.28 3dmr s ALA 741 CO 0.54 0.64 0.92 0.34 0.00 0.00 0.00 175.76 178.20 3dmr s ASP 742 N -2.75 6.82 0.08 0.00 2.15 -1.26 -4.59 116.67 117.12 3dmr s ASP 742 Ca 0.38 -3.34 0.02 0.00 0.43 0.00 0.00 52.55 50.04 3dmr s ASP 742 Cb -0.12 -2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 3dmr s ASP 742 CO 0.27 -0.35 -0.08 0.27 -0.17 0.00 0.00 175.17 175.12 3dmr s ILE 743 N -0.83 0.69 0.48 4.11 -4.36 -1.26 -5.02 121.20 115.00 3dmr s ILE 743 Ca 0.26 -1.57 -0.21 0.00 -0.26 0.00 0.00 60.65 58.88 3dmr s ILE 743 Cb -0.10 -1.23 -0.08 0.00 1.25 0.00 0.00 42.46 42.30 3dmr s ILE 743 CO -0.09 -0.63 1.05 -0.83 0.24 0.00 0.00 174.94 174.68 3dmr s GLY 744 N -2.39 2.55 0.21 6.27 0.00 -1.26 -3.77 107.32 108.92 3dmr s GLY 744 Ca 0.03 0.65 -0.10 0.00 0.00 0.00 0.00 44.72 45.30 3dmr s GLY 744 CO -0.02 0.98 1.84 -0.91 0.00 0.00 0.00 173.10 174.99 3dmr h THR 745 N 1.59 1.22 -1.89 0.90 1.35 -1.55 -3.44 112.91 111.09 3dmr h THR 745 Ca -0.49 -0.51 0.28 0.00 -0.55 0.00 0.00 66.41 65.13 3dmr h THR 745 Cb 1.22 0.18 -0.09 0.00 -1.73 0.00 0.00 68.15 67.74 3dmr h THR 745 CO 0.59 0.24 0.74 -0.94 -0.25 0.00 0.00 175.52 175.90 3dmr s SER 746 N -6.03 -0.06 0.56 5.36 1.04 -1.26 -0.83 113.70 112.48 3dmr s SER 746 Ca -0.13 -0.27 0.35 0.00 0.48 0.00 0.00 55.95 56.37 3dmr s SER 746 Cb 0.15 0.27 1.54 0.00 0.10 0.00 0.00 66.02 68.08 3dmr s SER 746 CO 0.80 -0.51 2.05 0.11 0.98 0.00 0.00 173.24 176.67 3dmr h LYS 747 N 2.00 0.00 -0.09 4.02 1.57 -1.90 -2.13 116.57 120.03 3dmr h LYS 747 Ca -0.27 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 3dmr h LYS 747 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 3dmr h LYS 747 CO 0.29 0.03 -0.12 1.25 -0.57 0.00 0.00 179.45 180.33 3dmr h LEU 748 N 0.00 0.27 0.00 2.94 5.85 -1.93 -3.22 115.31 119.22 3dmr h LEU 748 Ca -0.00 -0.51 -0.17 0.00 0.84 0.00 0.00 57.88 58.04 3dmr h LEU 748 Cb 0.42 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3dmr h LEU 748 CO 0.00 0.73 -1.64 0.00 -0.34 0.00 0.00 178.44 177.19 3dmr n ALA 749 N -2.41 1.77 -3.41 1.25 0.00 -1.23 -0.79 120.51 115.68 3dmr n ALA 749 Ca -0.07 -0.61 -0.22 0.00 0.00 0.00 0.00 53.44 52.54 3dmr n ALA 749 Cb 0.35 0.06 0.07 0.00 0.00 0.00 0.00 19.45 19.93 3dmr n ALA 749 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dmr n GLN 750 N -2.37 -6.89 -1.69 0.00 1.13 -0.80 -4.89 117.38 101.87 3dmr n GLN 750 Ca -0.16 0.79 -0.29 0.00 -1.94 0.00 0.00 57.00 55.41 3dmr n GLN 750 Cb 0.80 -5.66 0.12 0.00 0.11 0.00 0.00 30.24 25.61 3dmr n GLN 750 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3dmr s GLY 751 N -3.18 1.59 0.45 1.08 0.00 -1.26 -4.61 107.32 101.39 3dmr s GLY 751 Ca 0.50 -0.61 -0.14 0.00 0.00 0.00 0.00 44.72 44.47 3dmr s GLY 751 CO 0.61 -0.06 0.87 0.54 0.00 0.00 0.00 173.10 175.06 3dmr s ASN 752 N -4.28 6.58 -0.43 1.64 2.20 -1.26 -1.61 114.94 117.78 3dmr s ASN 752 Ca 0.64 1.34 0.05 0.00 -0.94 0.00 0.00 52.86 53.95 3dmr s ASN 752 Cb -0.13 -2.41 0.43 0.00 -2.00 0.00 0.00 41.25 37.14 3dmr s ASN 752 CO 0.52 -0.47 1.28 0.00 -2.94 0.00 0.00 177.10 175.48 3dmr n GLY 754 N -0.60 -0.61 0.40 0.00 0.00 -1.16 -1.55 105.19 101.67 3dmr n GLY 754 Ca 0.44 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.63 3dmr n GLY 754 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dmr n GLN 755 N -1.82 1.71 -3.37 1.61 6.02 -0.04 -4.82 117.38 116.66 3dmr n GLN 755 Ca -0.01 -2.79 -0.41 0.00 -0.01 0.00 0.00 57.00 53.79 3dmr n GLN 755 Cb 0.11 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.73 3dmr n GLN 755 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3dmr n THR 756 N -1.18 4.12 -3.82 5.09 -1.04 -0.60 -4.89 114.28 111.96 3dmr n THR 756 Ca 0.19 -5.41 -0.17 0.00 -2.04 0.00 0.00 64.05 56.62 3dmr n THR 756 Cb 0.73 -2.39 -0.16 0.00 -1.82 0.00 0.00 70.33 66.68 3dmr n THR 756 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3dmr s VAL 757 N -1.70 0.06 0.07 12.58 1.01 -1.26 -4.39 120.40 126.77 3dmr s VAL 757 Ca 0.31 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.56 3dmr s VAL 757 Cb -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3dmr s VAL 757 CO -0.05 0.14 -0.22 -0.76 0.00 0.00 0.00 175.10 174.21 3dmr s LEU 758 N 1.27 2.23 0.37 3.92 1.43 -1.26 -1.70 118.68 124.94 3dmr s LEU 758 Ca -0.06 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 3dmr s LEU 758 Cb -0.13 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.16 3dmr s LEU 758 CO -0.03 0.12 0.70 0.00 0.23 0.00 0.00 176.35 177.38 3dmr s ALA 759 N -0.97 -0.39 0.13 4.21 0.00 0.69 -4.82 121.76 120.61 3dmr s ALA 759 Ca 0.08 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.22 3dmr s ALA 759 Cb -0.09 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 3dmr s ALA 759 CO 0.03 -0.94 -0.24 -2.00 0.00 0.00 0.00 175.76 172.61 3dmr s GLU 760 N -2.61 1.52 -0.03 0.00 2.56 -0.42 -1.51 118.70 118.21 3dmr s GLU 760 Ca 0.19 -1.30 0.06 0.00 0.00 0.00 0.00 54.97 53.92 3dmr s GLU 760 Cb -0.04 -1.96 -0.01 0.00 2.00 0.00 0.00 34.13 34.11 3dmr s GLU 760 CO 0.13 0.46 -0.22 0.08 -0.56 0.00 0.00 175.26 175.15 3dmr s VAL 761 N -1.11 1.77 -0.00 3.70 1.01 -1.26 -1.31 120.40 123.19 3dmr s VAL 761 Ca 0.16 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3dmr s VAL 761 Cb -0.10 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3dmr s VAL 761 CO 0.07 0.50 0.09 -1.83 0.00 0.00 0.00 175.10 173.94 3dmr s GLU 762 N -0.33 0.37 0.31 2.72 -1.05 -0.79 -5.00 118.70 114.94 3dmr s GLU 762 Ca 0.03 -0.34 -0.29 0.00 -0.15 0.00 0.00 54.97 54.22 3dmr s GLU 762 Cb -0.10 0.15 -0.11 0.00 -0.44 0.00 0.00 34.13 33.63 3dmr s GLU 762 CO 0.01 -0.08 1.53 0.21 0.95 0.00 0.00 175.26 177.88 3dmr s LYS 763 N -1.12 4.15 -0.21 -4.83 2.20 -1.26 -0.38 119.74 118.28 3dmr s LYS 763 Ca -0.12 2.52 -0.25 0.00 -0.36 0.00 0.00 55.97 57.76 3dmr s LYS 763 Cb -0.07 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 3dmr s LYS 763 CO 0.01 -0.56 0.82 -0.47 -0.36 0.00 0.00 175.35 174.79 3dmr s TYR 764 N -0.32 3.36 0.00 4.03 5.04 -0.72 -4.68 117.35 124.06 3dmr s TYR 764 Ca 0.60 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 3dmr s TYR 764 Cb -0.46 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 38.83 3dmr s TYR 764 CO 0.51 -0.32 0.39 0.25 -1.34 0.00 0.00 175.55 175.04 3dmr n THR 765 N 5.00 0.00 -0.19 4.34 -2.24 -1.26 -4.87 114.28 115.05 3dmr n THR 765 Ca 0.05 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 3dmr n THR 765 Cb 0.48 1.17 0.09 0.00 -2.10 0.00 0.00 70.33 69.98 3dmr n THR 765 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dmr n GLY 766 N 0.04 -3.56 3.77 3.38 0.00 -1.26 -4.94 105.19 102.62 3dmr n GLY 766 Ca 0.00 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 3dmr n GLY 766 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dmr s PRO 767 N -3.70 3.80 0.62 1.61 0.04 -1.26 -4.93 135.00 131.18 3dmr s PRO 767 Ca 0.22 2.29 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 3dmr s PRO 767 Cb -0.04 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 3dmr s PRO 767 CO 0.18 -0.68 0.70 0.00 0.04 0.00 0.00 177.00 177.24 3dmr n ALA 768 N -0.08 -0.72 -2.56 8.56 0.00 -1.26 -5.00 120.51 119.46 3dmr n ALA 768 Ca 0.05 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 3dmr n ALA 768 Cb 0.43 -1.95 -0.13 0.00 0.00 0.00 0.00 19.45 17.80 3dmr n ALA 768 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dmr s VAL 769 N -1.70 1.58 -0.22 0.00 1.01 -1.26 -5.13 120.40 114.68 3dmr s VAL 769 Ca 0.71 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 3dmr s VAL 769 Cb -0.41 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3dmr s VAL 769 CO 0.52 -0.03 -0.01 -0.89 0.00 0.00 0.00 175.10 174.69 3dmr s THR 770 N -1.09 3.76 0.02 3.92 2.01 -1.26 -5.09 115.64 117.91 3dmr s THR 770 Ca 0.05 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 3dmr s THR 770 Cb -0.10 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 3dmr s THR 770 CO 0.03 0.41 1.11 -0.76 -0.69 0.00 0.00 174.62 174.72 3dmr s LEU 771 N 1.31 4.36 0.00 4.42 1.43 -1.26 -4.92 118.68 124.01 3dmr s LEU 771 Ca 0.04 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 3dmr s LEU 771 Cb -0.15 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3dmr s LEU 771 CO 0.00 -0.40 0.52 0.35 0.23 0.00 0.00 176.35 177.06 3dmr n THR 772 N 4.00 0.14 0.71 5.49 -2.24 -1.26 -4.77 114.28 116.35 3dmr n THR 772 Ca 0.08 -0.51 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3dmr n THR 772 Cb 0.48 1.03 0.47 0.00 -2.10 0.00 0.00 70.33 70.21 3dmr n THR 772 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dmr n GLY 773 N -0.07 -1.58 1.34 3.38 0.00 -1.26 -3.61 105.19 103.39 3dmr n GLY 773 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3dmr n GLY 773 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dmr n PHE 774 N -2.00 1.30 -4.33 1.61 3.72 -1.26 -4.91 117.46 111.58 3dmr n PHE 774 Ca 0.06 -0.67 -0.19 0.00 -0.05 0.00 0.00 57.45 56.60 3dmr n PHE 774 Cb 0.37 -0.26 -0.13 0.00 -0.94 0.00 0.00 39.48 38.52 3dmr n PHE 774 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3dmr s VAL 775 N -2.06 0.93 0.63 -4.37 -7.23 -1.24 -4.49 120.40 102.57 3dmr s VAL 775 Ca 0.46 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.63 3dmr s VAL 775 Cb 0.31 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 3dmr s VAL 775 CO 0.19 0.02 1.18 0.00 -0.31 0.00 0.00 175.10 176.18 3dmr s ALA 776 N -0.72 2.46 0.30 1.32 0.00 -1.25 -4.93 121.76 118.93 3dmr s ALA 776 Ca 0.01 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 3dmr s ALA 776 Cb -0.07 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 3dmr s ALA 776 CO 0.01 -1.29 0.95 -2.30 0.00 0.00 0.00 175.76 173.12 3dmr n PRO 777 N -1.94 1.21 -0.16 0.00 -0.02 -1.26 -4.84 135.00 127.99 3dmr n PRO 777 Ca 0.13 0.42 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 3dmr n PRO 777 Cb 0.50 -1.77 0.01 0.00 -0.02 0.00 0.00 33.50 32.22 3dmr n PRO 777 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3dmr h LYS 778 N 1.82 -0.15 0.00 -0.52 1.57 -1.92 -0.41 116.57 116.97 3dmr h LYS 778 Ca -0.39 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3dmr h LYS 778 Cb 1.35 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.70 3dmr h LYS 778 CO 0.60 -0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 3dmr n ALA 779 N -3.05 1.48 1.18 3.86 0.00 -1.26 -2.11 120.51 120.60 3dmr n ALA 779 Ca 0.04 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3dmr n ALA 779 Cb 0.34 -1.17 0.32 0.00 0.00 0.00 0.00 19.45 18.93 3dmr n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmr n ALA 780 N -1.51 2.51 1.61 0.00 0.00 -0.17 -4.73 120.51 118.23 3dmr n ALA 780 Ca 0.02 -0.60 0.13 0.00 0.00 0.00 0.00 53.44 53.00 3dmr n ALA 780 Cb 0.12 -0.99 0.76 0.00 0.00 0.00 0.00 19.45 19.34 3dmr n ALA 780 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89