#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmr s ALA 4 N 0.00 3.22 -0.06 -1.18 0.00 -1.26 -4.64 121.76 117.84 1dmr s ALA 4 Ca 0.00 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.87 1dmr s ALA 4 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1dmr s ALA 4 CO 0.00 -0.37 -0.06 -0.80 0.00 0.00 0.00 175.76 174.53 1dmr s ASN 5 N -1.13 1.32 0.00 0.00 0.01 -1.26 -0.96 114.94 112.92 1dmr s ASN 5 Ca 0.54 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1dmr s ASN 5 Cb -0.30 -0.56 0.00 0.00 0.41 0.00 0.00 41.25 40.80 1dmr s ASN 5 CO 0.37 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 1dmr n GLY 6 N 4.22 -0.97 3.19 0.66 0.00 -0.64 -4.99 105.19 106.66 1dmr n GLY 6 Ca -0.21 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 1dmr n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmr s THR 7 N -3.00 1.28 -0.04 2.61 -4.23 -1.26 -0.21 115.64 110.80 1dmr s THR 7 Ca 0.00 -1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1dmr s THR 7 Cb 0.00 -1.18 0.02 0.00 1.34 0.00 0.00 72.50 72.68 1dmr s THR 7 CO 0.00 -0.06 0.09 -0.69 -0.54 0.00 0.00 174.62 173.42 1dmr s VAL 8 N -1.04 -0.02 -0.09 2.29 1.01 -0.65 -4.96 120.40 116.95 1dmr s VAL 8 Ca 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1dmr s VAL 8 Cb -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1dmr s VAL 8 CO 0.02 0.02 0.25 -0.32 0.00 0.00 0.00 175.10 175.08 1dmr s MET 9 N 0.37 3.75 0.00 2.72 1.75 -1.26 0.47 119.30 127.10 1dmr s MET 9 Ca -0.03 0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.49 1dmr s MET 9 Cb -0.04 -3.24 0.00 0.00 2.84 0.00 0.00 34.83 34.39 1dmr s MET 9 CO -0.01 0.65 0.00 0.45 -0.65 0.00 0.00 175.02 175.46 1dmr n SER 10 N 2.22 0.00 -3.34 1.11 2.88 -0.51 -3.55 113.62 112.43 1dmr n SER 10 Ca -0.17 -0.65 -0.13 0.00 -1.33 0.00 0.00 58.87 56.59 1dmr n SER 10 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1dmr n SER 10 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1dmr s GLY 11 N -0.65 1.12 0.21 0.46 0.00 -1.26 -1.67 107.32 105.53 1dmr s GLY 11 Ca 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 44.72 43.31 1dmr s GLY 11 CO 0.00 -0.82 0.69 -1.14 0.00 0.00 0.00 173.10 171.84 1dmr n SER 12 N -1.21 -1.51 0.24 1.64 3.41 -0.64 -4.98 113.62 110.57 1dmr n SER 12 Ca -0.01 -1.93 0.17 0.00 -0.26 0.00 0.00 58.87 56.84 1dmr n SER 12 Cb 0.61 2.49 0.83 0.00 -0.26 0.00 0.00 64.21 67.88 1dmr n SER 12 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1dmr h HIS 13 N 1.74 0.00 -0.00 7.33 3.86 -1.87 -2.51 115.15 123.70 1dmr h HIS 13 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1dmr h HIS 13 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1dmr h HIS 13 CO 0.00 0.00 -0.68 0.91 0.86 0.00 0.00 177.93 179.02 1dmr n TRP 14 N -2.68 0.00 0.00 2.45 8.01 -1.26 -1.13 117.44 122.83 1dmr n TRP 14 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1dmr n TRP 14 Cb 0.11 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 1dmr n TRP 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1dmr n GLY 15 N 1.47 0.98 3.82 6.99 0.00 -0.94 -4.46 105.19 113.04 1dmr n GLY 15 Ca 0.06 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1dmr n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dmr s VAL 16 N -1.04 4.68 0.24 1.61 1.01 -1.26 -1.62 120.40 124.01 1dmr s VAL 16 Ca 0.00 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.03 1dmr s VAL 16 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1dmr s VAL 16 CO 0.00 0.37 0.49 0.72 0.00 0.00 0.00 175.10 176.69 1dmr s PHE 17 N -1.32 0.25 -0.13 5.22 -0.12 -0.67 -2.05 117.98 119.15 1dmr s PHE 17 Ca 0.36 -0.62 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 1dmr s PHE 17 Cb -0.18 0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1dmr s PHE 17 CO 0.20 -0.99 -0.17 0.99 -0.05 0.00 0.00 175.22 175.21 1dmr s THR 18 N -3.99 2.67 -0.03 -4.49 2.01 0.28 -1.42 115.64 110.67 1dmr s THR 18 Ca 0.19 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 1dmr s THR 18 Cb -0.01 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1dmr s THR 18 CO 0.07 0.53 0.26 0.00 -0.69 0.00 0.00 174.62 174.78 1dmr s ALA 19 N 0.52 3.83 -0.14 7.40 0.00 0.18 -0.51 121.76 133.03 1dmr s ALA 19 Ca -0.11 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 1dmr s ALA 19 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1dmr s ALA 19 CO 0.04 0.61 0.28 0.99 0.00 0.00 0.00 175.76 177.69 1dmr s THR 20 N -1.18 5.30 -0.11 0.00 2.01 -0.39 -1.64 115.64 119.63 1dmr s THR 20 Ca 0.23 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.80 1dmr s THR 20 Cb -0.13 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1dmr s THR 20 CO 0.12 0.43 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 1dmr s VAL 21 N 0.17 2.06 -0.16 3.82 1.01 0.71 -1.28 120.40 126.73 1dmr s VAL 21 Ca 0.17 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1dmr s VAL 21 Cb -0.13 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.49 1dmr s VAL 21 CO 0.05 0.56 -0.07 -1.61 0.00 0.00 0.00 175.10 174.02 1dmr s GLU 22 N 0.50 1.57 -1.42 2.72 2.02 -0.04 -1.62 118.70 122.43 1dmr s GLU 22 Ca -0.15 -0.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1dmr s GLU 22 Cb -0.17 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.14 1dmr s GLU 22 CO 0.05 -0.38 0.90 0.09 0.02 0.00 0.00 175.26 175.94 1dmr n ASN 23 N 4.86 -3.49 0.00 -0.19 3.02 -0.32 -1.92 115.26 117.23 1dmr n ASN 23 Ca -0.13 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1dmr n ASN 23 Cb 0.48 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 1dmr n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dmr n GLY 24 N -1.66 0.53 3.34 7.41 0.00 -0.13 -4.72 105.19 109.96 1dmr n GLY 24 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1dmr n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dmr s ARG 25 N -0.31 2.40 -0.00 1.61 3.52 -0.81 -4.73 118.95 120.63 1dmr s ARG 25 Ca 0.00 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 1dmr s ARG 25 Cb 0.00 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 31.16 1dmr s ARG 25 CO 0.00 0.51 1.14 0.00 -0.81 0.00 0.00 175.30 176.13 1dmr s ALA 26 N -0.46 3.38 -0.18 6.12 0.00 -1.26 -0.86 121.76 128.49 1dmr s ALA 26 Ca 0.05 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1dmr s ALA 26 Cb -0.12 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1dmr s ALA 26 CO 0.01 -0.51 0.18 0.25 0.00 0.00 0.00 175.76 175.69 1dmr n THR 27 N 4.19 0.00 -3.57 0.00 -2.24 -0.40 -4.95 114.28 107.30 1dmr n THR 27 Ca 0.09 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 1dmr n THR 27 Cb 0.47 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 1dmr n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dmr s ALA 28 N -1.58 -1.86 -0.20 6.98 0.00 -1.25 -4.99 121.76 118.86 1dmr s ALA 28 Ca 0.01 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1dmr s ALA 28 Cb 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1dmr s ALA 28 CO 0.19 -0.32 -0.15 -0.06 0.00 0.00 0.00 175.76 175.41 1dmr s PHE 29 N -0.76 2.90 -0.14 0.00 0.40 -1.26 -1.26 117.98 117.86 1dmr s PHE 29 Ca -0.04 -1.64 -0.03 0.00 -0.60 0.00 0.00 56.93 54.62 1dmr s PHE 29 Cb -0.01 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1dmr s PHE 29 CO 0.03 -0.78 -0.03 0.99 0.70 0.00 0.00 175.22 176.13 1dmr s THR 30 N 1.29 3.96 0.59 0.64 2.01 0.33 -4.85 115.64 119.61 1dmr s THR 30 Ca 0.03 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 1dmr s THR 30 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1dmr s THR 30 CO -0.10 0.52 1.25 -0.81 -0.69 0.00 0.00 174.62 174.79 1dmr n PRO 31 N 3.17 1.32 -1.70 4.92 -0.04 -1.26 -0.56 135.00 140.85 1dmr n PRO 31 Ca -0.18 0.50 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 1dmr n PRO 31 Cb 0.53 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 1dmr n PRO 31 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1dmr n TRP 32 N -1.47 2.40 0.28 0.54 -0.00 -0.87 -4.73 117.44 113.60 1dmr n TRP 32 Ca 0.13 0.41 0.14 0.00 -0.00 0.00 0.00 57.50 58.18 1dmr n TRP 32 Cb 0.46 -2.49 0.82 0.00 -0.00 0.00 0.00 31.31 30.10 1dmr n TRP 32 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1dmr h GLU 33 N 3.97 0.00 -0.14 5.87 4.11 -1.92 -2.19 114.58 124.28 1dmr h GLU 33 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1dmr h GLU 33 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1dmr h GLU 33 CO 0.73 0.06 0.00 1.63 0.07 0.00 0.00 179.01 181.51 1dmr n LYS 34 N -3.73 1.81 -2.61 1.06 5.02 -1.26 -4.86 118.16 113.58 1dmr n LYS 34 Ca -0.02 -1.20 -0.43 0.00 -2.02 0.00 0.00 58.31 54.64 1dmr n LYS 34 Cb 0.16 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1dmr n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dmr s ASP 35 N -1.70 7.09 0.53 4.39 -1.08 -0.83 -4.92 116.67 120.16 1dmr s ASP 35 Ca 0.34 1.46 0.33 0.00 -0.52 0.00 0.00 52.55 54.17 1dmr s ASP 35 Cb 0.19 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.48 1dmr s ASP 35 CO 0.29 -0.66 1.98 1.55 0.52 0.00 0.00 175.17 178.84 1dmr h PRO 36 N 7.55 0.00 -0.97 4.34 0.13 -1.88 -3.39 132.00 137.77 1dmr h PRO 36 Ca -0.22 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.77 1dmr h PRO 36 Cb 1.08 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.05 1dmr h PRO 36 CO 0.96 0.00 -0.47 -1.58 -0.23 0.00 0.00 178.00 176.68 1dmr s HIS 37 N -3.66 -1.58 0.72 1.56 2.46 -1.26 -4.94 115.29 108.59 1dmr s HIS 37 Ca 0.01 -0.50 -0.16 0.00 0.47 0.00 0.00 55.06 54.88 1dmr s HIS 37 Cb 0.09 0.31 0.01 0.00 -0.13 0.00 0.00 32.58 32.86 1dmr s HIS 37 CO 0.53 -1.24 1.03 -2.30 -2.47 0.00 0.00 174.74 170.29 1dmr n PRO 38 N 3.02 0.56 -3.29 2.88 -0.02 -1.26 -4.93 135.00 131.95 1dmr n PRO 38 Ca 0.17 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1dmr n PRO 38 Cb 0.56 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 1dmr n PRO 38 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dmr s SER 39 N -1.65 6.92 0.37 2.55 0.15 -1.26 -4.96 113.70 115.82 1dmr s SER 39 Ca 0.75 1.10 0.26 0.00 0.70 0.00 0.00 55.95 58.75 1dmr s SER 39 Cb -0.35 -2.33 1.32 0.00 -1.71 0.00 0.00 66.02 62.95 1dmr s SER 39 CO 0.49 0.17 1.79 -0.65 1.20 0.00 0.00 173.24 176.23 1dmr h PRO 40 N 5.39 0.00 0.00 5.44 0.11 -1.97 -2.53 132.00 138.43 1dmr h PRO 40 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dmr h PRO 40 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1dmr h PRO 40 CO 0.68 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.14 1dmr n MET 41 N -2.41 0.12 -0.35 1.05 2.81 -1.26 -3.84 117.12 113.24 1dmr n MET 41 Ca -0.01 0.30 0.16 0.00 -1.81 0.00 0.00 57.70 56.34 1dmr n MET 41 Cb 0.10 -1.71 0.36 0.00 -0.71 0.00 0.00 33.22 31.26 1dmr n MET 41 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dmr h LEU 42 N 0.00 0.71 -1.30 4.03 3.38 -1.84 -0.47 115.31 119.82 1dmr h LEU 42 Ca 0.00 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1dmr h LEU 42 Cb 0.38 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1dmr h LEU 42 CO 0.00 0.20 0.50 0.00 0.09 0.00 0.00 178.44 179.22 1dmr h ALA 43 N 1.68 1.59 -0.04 1.53 0.00 -1.86 -2.18 119.26 119.97 1dmr h ALA 43 Ca 0.60 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.37 1dmr h ALA 43 Cb 1.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1dmr h ALA 43 CO -0.41 0.32 -0.49 0.78 0.00 0.00 0.00 179.25 179.45 1dmr h GLY 44 N 0.89 0.12 0.95 0.00 0.00 -1.35 -2.49 103.07 101.19 1dmr h GLY 44 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1dmr h GLY 44 CO -0.10 0.11 0.17 -2.08 0.00 0.00 0.00 176.54 174.64 1dmr h VAL 45 N 0.09 1.14 -0.19 4.60 2.07 -1.19 0.21 116.25 122.98 1dmr h VAL 45 Ca 0.00 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1dmr h VAL 45 Cb 0.90 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1dmr h VAL 45 CO 0.07 0.14 0.10 0.25 0.02 0.00 0.00 177.57 178.15 1dmr h LEU 46 N 0.38 0.15 -1.74 2.57 5.85 -1.47 -2.64 115.31 118.42 1dmr h LEU 46 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1dmr h LEU 46 Cb 0.07 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1dmr h LEU 46 CO -0.02 0.12 0.15 -0.78 -0.34 0.00 0.00 178.44 177.57 1dmr h ASP 47 N 0.21 0.28 0.23 1.25 3.58 -1.08 -2.27 116.42 118.63 1dmr h ASP 47 Ca 0.07 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1dmr h ASP 47 Cb 0.01 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 1dmr h ASP 47 CO -0.05 0.21 -0.01 0.77 -2.88 0.00 0.00 179.24 177.29 1dmr h SER 48 N 0.33 0.00 -0.25 2.28 4.64 -0.57 0.04 113.55 120.02 1dmr h SER 48 Ca 0.09 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.31 1dmr h SER 48 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1dmr h SER 48 CO -0.02 0.01 -0.17 0.40 -0.87 0.00 0.00 176.83 176.18 1dmr h ILE 49 N 0.00 1.26 -0.00 0.95 2.04 -1.46 -3.36 117.51 116.94 1dmr h ILE 49 Ca -0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1dmr h ILE 49 Cb 0.13 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1dmr h ILE 49 CO 0.00 0.41 -0.01 -1.22 0.00 0.00 0.00 178.15 177.33 1dmr n TYR 50 N -4.14 0.00 -0.70 1.37 4.01 -0.67 -4.92 117.16 112.11 1dmr n TYR 50 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 1dmr n TYR 50 Cb 0.39 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.64 1dmr n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1dmr s SER 51 N -0.22 1.61 0.61 7.72 1.04 -0.09 -4.84 113.70 119.54 1dmr s SER 51 Ca 0.01 1.56 0.35 0.00 0.48 0.00 0.00 55.95 58.35 1dmr s SER 51 Cb 0.01 -2.27 2.01 0.00 0.10 0.00 0.00 66.02 65.87 1dmr s SER 51 CO 0.02 -3.82 2.29 -0.65 0.98 0.00 0.00 173.24 172.06 1dmr h PRO 52 N -2.36 0.00 -0.58 4.02 0.11 -1.86 -1.21 132.00 130.13 1dmr h PRO 52 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1dmr h PRO 52 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1dmr h PRO 52 CO 0.50 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 1dmr n THR 53 N -3.56 1.10 -2.00 -1.15 -2.24 -1.26 -3.71 114.28 101.47 1dmr n THR 53 Ca -0.03 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.57 1dmr n THR 53 Cb 0.09 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 1dmr n THR 53 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1dmr s ARG 54 N -1.64 4.26 -0.26 -0.78 6.06 -0.46 -0.42 118.95 125.70 1dmr s ARG 54 Ca 0.35 2.31 -0.27 0.00 -2.50 0.00 0.00 55.73 55.62 1dmr s ARG 54 Cb 0.21 -3.12 0.01 0.00 0.06 0.00 0.00 34.95 32.12 1dmr s ARG 54 CO 0.18 -0.45 0.98 0.42 -2.50 0.00 0.00 175.30 173.93 1dmr s ILE 55 N 0.16 4.68 -0.13 4.11 1.01 -0.75 -4.85 121.20 125.44 1dmr s ILE 55 Ca 0.61 1.77 -0.23 0.00 0.00 0.00 0.00 60.65 62.80 1dmr s ILE 55 Cb -0.42 -4.28 -0.26 0.00 0.01 0.00 0.00 42.46 37.52 1dmr s ILE 55 CO 0.42 -0.24 0.62 0.11 0.00 0.00 0.00 174.94 175.85 1dmr h LYS 56 N 7.73 0.10 -4.86 2.79 1.57 -1.92 -3.44 116.57 118.54 1dmr h LYS 56 Ca -0.21 -0.18 -0.28 0.00 -1.87 0.00 0.00 60.65 58.12 1dmr h LYS 56 Cb 1.07 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 1dmr h LYS 56 CO 0.96 1.09 -0.71 0.71 -0.57 0.00 0.00 179.45 180.93 1dmr s TYR 57 N -2.34 1.07 0.22 -1.35 2.02 -1.26 -1.44 117.35 114.27 1dmr s TYR 57 Ca -0.20 -0.83 -0.30 0.00 -0.37 0.00 0.00 57.07 55.36 1dmr s TYR 57 Cb 0.01 -0.58 -0.10 0.00 -0.40 0.00 0.00 41.96 40.90 1dmr s TYR 57 CO 0.71 -0.03 1.41 -1.25 -1.57 0.00 0.00 175.55 174.81 1dmr s PRO 58 N -3.75 4.30 0.06 -1.71 0.04 -1.26 -4.55 135.00 128.13 1dmr s PRO 58 Ca 0.14 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.43 1dmr s PRO 58 Cb 0.04 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1dmr s PRO 58 CO -0.02 -0.39 -0.10 -1.64 0.04 0.00 0.00 177.00 174.89 1dmr s MET 59 N -0.07 0.68 -0.04 4.56 -1.94 -0.45 -2.23 119.30 119.81 1dmr s MET 59 Ca 0.60 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.72 1dmr s MET 59 Cb -0.40 -0.51 -0.00 0.00 2.01 0.00 0.00 34.83 35.93 1dmr s MET 59 CO 0.40 0.10 -0.16 0.08 -0.01 0.00 0.00 175.02 175.43 1dmr s VAL 60 N -1.56 1.30 0.17 -6.03 1.01 -0.20 -0.99 120.40 114.10 1dmr s VAL 60 Ca -0.04 -0.65 -0.32 0.00 0.00 0.00 0.00 61.98 60.97 1dmr s VAL 60 Cb -0.09 -1.12 -0.11 0.00 0.00 0.00 0.00 36.38 35.07 1dmr s VAL 60 CO 0.01 0.38 1.73 -0.60 0.00 0.00 0.00 175.10 176.62 1dmr s ARG 61 N 0.04 4.14 0.18 2.72 3.52 -0.02 -0.20 118.95 129.34 1dmr s ARG 61 Ca -0.03 2.56 -0.15 0.00 -0.13 0.00 0.00 55.73 57.98 1dmr s ARG 61 Cb -0.11 -3.27 0.17 0.00 -1.56 0.00 0.00 34.95 30.18 1dmr s ARG 61 CO 0.02 -0.76 1.67 -0.09 -0.81 0.00 0.00 175.30 175.32 1dmr h ARG 62 N 7.41 0.05 -0.92 5.12 2.43 -1.48 -0.18 114.38 126.81 1dmr h ARG 62 Ca -0.44 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.79 1dmr h ARG 62 Cb 1.21 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1dmr h ARG 62 CO 0.95 0.03 0.58 0.93 -1.51 0.00 0.00 179.97 180.96 1dmr h GLU 63 N 0.05 1.03 -0.44 0.20 3.07 -1.91 -1.16 114.58 115.43 1dmr h GLU 63 Ca 0.24 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.91 1dmr h GLU 63 Cb 0.37 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1dmr h GLU 63 CO -0.46 0.68 -0.22 0.35 -1.40 0.00 0.00 179.01 177.97 1dmr h PHE 64 N 1.06 1.07 -0.56 4.33 3.57 -1.60 0.84 116.94 125.65 1dmr h PHE 64 Ca 0.40 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1dmr h PHE 64 Cb 0.16 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1dmr h PHE 64 CO -0.02 1.07 0.34 1.25 -2.23 0.00 0.00 178.31 178.72 1dmr h LEU 65 N 0.76 0.54 0.20 0.59 6.46 -0.51 0.25 115.31 123.60 1dmr h LEU 65 Ca 0.10 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.55 1dmr h LEU 65 Cb 0.79 -0.11 0.02 0.00 -0.73 0.00 0.00 40.66 40.64 1dmr h LEU 65 CO 0.07 0.38 -1.39 -0.33 -0.62 0.00 0.00 178.44 176.55 1dmr h GLU 66 N 0.66 0.43 -0.00 1.25 5.08 -1.14 -3.41 114.58 117.46 1dmr h GLU 66 Ca 0.23 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1dmr h GLU 66 Cb 0.03 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1dmr h GLU 66 CO -0.10 1.35 -0.01 1.63 -1.00 0.00 0.00 179.01 180.88 1dmr n LYS 67 N -3.64 2.95 0.00 2.33 5.02 0.28 -5.07 118.16 120.03 1dmr n LYS 67 Ca -0.13 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1dmr n LYS 67 Cb 1.07 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 1dmr n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dmr n GLY 68 N 0.51 3.68 0.27 0.72 0.00 0.07 -1.64 105.19 108.81 1dmr n GLY 68 Ca 0.00 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.21 1dmr n GLY 68 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1dmr h VAL 69 N 0.00 0.00 -0.18 1.61 -1.51 -1.88 -2.13 116.25 112.16 1dmr h VAL 69 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1dmr h VAL 69 Cb 0.00 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1dmr h VAL 69 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1dmr n ASN 70 N -2.93 1.55 -4.73 4.19 3.02 -0.65 -4.95 115.26 110.76 1dmr n ASN 70 Ca -0.00 -1.73 -0.35 0.00 -0.03 0.00 0.00 54.58 52.47 1dmr n ASN 70 Cb 0.23 -0.12 0.07 0.00 -0.61 0.00 0.00 39.78 39.35 1dmr n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dmr s ALA 71 N -1.77 2.27 -0.34 5.41 0.00 -0.80 -4.94 121.76 121.59 1dmr s ALA 71 Ca 0.30 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1dmr s ALA 71 Cb 0.16 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1dmr s ALA 71 CO 0.24 -1.64 1.32 0.34 0.00 0.00 0.00 175.76 176.03 1dmr s ASP 72 N -1.90 6.57 0.00 0.00 -1.08 -1.26 -4.89 116.67 114.10 1dmr s ASP 72 Ca 0.75 1.05 0.27 0.00 -0.52 0.00 0.00 52.55 54.10 1dmr s ASP 72 Cb -0.30 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.53 1dmr s ASP 72 CO 0.42 -1.20 1.67 0.54 0.52 0.00 0.00 175.17 177.12 1dmr n ARG 73 N 7.57 0.71 0.15 4.34 1.74 -1.26 -3.86 116.66 126.04 1dmr n ARG 73 Ca 0.15 -0.36 0.13 0.00 -0.77 0.00 0.00 57.85 57.00 1dmr n ARG 73 Cb 0.47 -1.49 0.45 0.00 -1.02 0.00 0.00 32.46 30.87 1dmr n ARG 73 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1dmr h SER 74 N 0.87 0.00 -0.12 0.55 4.64 -1.97 -3.00 113.55 114.53 1dmr h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dmr h SER 74 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1dmr h SER 74 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1dmr n THR 75 N -2.43 0.14 -1.70 2.95 -2.24 -1.25 -4.33 114.28 105.42 1dmr n THR 75 Ca 0.04 -0.34 -0.44 0.00 -2.27 0.00 0.00 64.05 61.04 1dmr n THR 75 Cb 0.35 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 1dmr n THR 75 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dmr n ARG 76 N 0.38 2.28 0.00 -0.78 1.74 -1.14 -2.26 116.66 116.88 1dmr n ARG 76 Ca 0.17 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1dmr n ARG 76 Cb 0.37 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 1dmr n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dmr n GLY 77 N 2.06 0.03 0.00 -0.13 0.00 -1.09 -4.87 105.19 101.20 1dmr n GLY 77 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1dmr n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dmr n ASN 78 N 0.00 0.00 0.00 1.61 6.94 -0.96 -4.85 115.26 118.01 1dmr n ASN 78 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1dmr n ASN 78 Cb 0.00 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1dmr n ASN 78 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1dmr n GLY 79 N 0.96 0.62 3.51 4.83 0.00 -1.26 -4.98 105.19 108.87 1dmr n GLY 79 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1dmr n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dmr s ASP 80 N -2.01 6.93 0.21 1.61 2.15 -1.26 -4.71 116.67 119.59 1dmr s ASP 80 Ca 0.00 -2.65 0.07 0.00 0.43 0.00 0.00 52.55 50.40 1dmr s ASP 80 Cb 0.00 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 1dmr s ASP 80 CO 0.00 -0.97 0.10 -0.36 -0.17 0.00 0.00 175.17 173.77 1dmr s PHE 81 N 2.83 2.98 -0.09 -5.34 0.08 -1.26 -1.25 117.98 115.92 1dmr s PHE 81 Ca 0.47 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.44 1dmr s PHE 81 Cb -0.00 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1dmr s PHE 81 CO 0.02 0.54 -0.22 0.08 -0.10 0.00 0.00 175.22 175.54 1dmr s VAL 82 N -1.97 2.26 0.13 -0.44 1.01 0.72 -4.79 120.40 117.32 1dmr s VAL 82 Ca 0.31 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1dmr s VAL 82 Cb -0.09 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 1dmr s VAL 82 CO 0.22 0.56 1.05 -0.60 0.00 0.00 0.00 175.10 176.33 1dmr s ARG 83 N 0.13 4.61 0.29 2.72 3.52 -1.26 -1.03 118.95 127.94 1dmr s ARG 83 Ca -0.11 1.61 0.04 0.00 -0.13 0.00 0.00 55.73 57.14 1dmr s ARG 83 Cb -0.16 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 1dmr s ARG 83 CO 0.06 0.09 0.03 0.14 -0.81 0.00 0.00 175.30 174.81 1dmr s VAL 84 N 0.04 1.20 0.62 7.11 -7.23 -0.95 -4.93 120.40 116.26 1dmr s VAL 84 Ca 0.50 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1dmr s VAL 84 Cb -0.27 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1dmr s VAL 84 CO 0.32 -0.12 1.03 -0.94 -0.31 0.00 0.00 175.10 175.08 1dmr s SER 85 N -3.43 6.18 0.22 4.85 1.04 -1.26 -4.44 113.70 116.85 1dmr s SER 85 Ca 0.34 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 58.12 1dmr s SER 85 Cb 0.07 -2.47 0.20 0.00 0.10 0.00 0.00 66.02 63.91 1dmr s SER 85 CO 0.13 -0.91 1.89 -0.50 0.98 0.00 0.00 173.24 174.84 1dmr h TRP 86 N -0.30 1.03 -0.82 5.02 4.06 -1.99 -1.48 115.95 121.48 1dmr h TRP 86 Ca -0.44 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.51 1dmr h TRP 86 Cb 1.19 -0.35 -0.04 0.00 -1.00 0.00 0.00 29.16 28.97 1dmr h TRP 86 CO 0.66 0.64 0.43 -0.44 -3.56 0.00 0.00 178.44 176.17 1dmr h ASP 87 N 1.10 1.03 -0.23 -3.49 3.32 -1.99 0.22 116.42 116.39 1dmr h ASP 87 Ca 0.31 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1dmr h ASP 87 Cb -0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1dmr h ASP 87 CO -0.07 0.84 0.08 1.56 -1.72 0.00 0.00 179.24 179.92 1dmr h GLN 88 N 1.15 0.35 -0.45 3.56 4.20 -1.85 -1.99 115.11 120.07 1dmr h GLN 88 Ca 0.29 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1dmr h GLN 88 Cb 0.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1dmr h GLN 88 CO -0.04 0.42 0.19 0.00 -0.67 0.00 0.00 178.83 178.73 1dmr h ALA 89 N 0.91 0.58 -0.58 3.87 0.00 -0.76 -2.07 119.26 121.22 1dmr h ALA 89 Ca 0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1dmr h ALA 89 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1dmr h ALA 89 CO -0.00 0.17 -0.01 -0.07 0.00 0.00 0.00 179.25 179.34 1dmr h LEU 90 N 0.58 1.00 -0.59 0.00 3.38 -0.94 -0.66 115.31 118.08 1dmr h LEU 90 Ca 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1dmr h LEU 90 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1dmr h LEU 90 CO -0.01 1.06 0.36 0.44 0.09 0.00 0.00 178.44 180.37 1dmr h ASP 91 N 0.93 0.70 -0.33 -0.43 3.32 -1.28 -1.15 116.42 118.18 1dmr h ASP 91 Ca 0.16 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1dmr h ASP 91 Cb 0.56 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1dmr h ASP 91 CO 0.03 0.54 0.04 0.25 -1.72 0.00 0.00 179.24 178.38 1dmr h LEU 92 N 0.79 0.53 -0.26 1.55 5.85 -1.08 -1.06 115.31 121.64 1dmr h LEU 92 Ca 0.21 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1dmr h LEU 92 Cb -0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1dmr h LEU 92 CO -0.04 0.67 0.13 0.58 -0.34 0.00 0.00 178.44 179.44 1dmr h VAL 93 N 0.38 1.14 -0.65 1.05 2.07 -1.00 -1.44 116.25 117.80 1dmr h VAL 93 Ca 0.10 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1dmr h VAL 93 Cb 0.38 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1dmr h VAL 93 CO 0.01 0.14 0.42 0.00 0.02 0.00 0.00 177.57 178.17 1dmr h ALA 94 N 0.99 0.83 -0.84 1.67 0.00 -1.19 -0.61 119.26 120.11 1dmr h ALA 94 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1dmr h ALA 94 Cb 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1dmr h ALA 94 CO -0.01 0.22 0.43 0.00 0.00 0.00 0.00 179.25 179.88 1dmr h ALA 95 N 1.26 1.08 -0.35 0.00 0.00 -1.02 -1.42 119.26 118.80 1dmr h ALA 95 Ca 0.25 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1dmr h ALA 95 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1dmr h ALA 95 CO -0.07 0.63 -0.29 0.93 0.00 0.00 0.00 179.25 180.44 1dmr h GLU 96 N 1.19 0.82 -0.29 0.00 4.39 -0.91 0.71 114.58 120.48 1dmr h GLU 96 Ca 0.29 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1dmr h GLU 96 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1dmr h GLU 96 CO -0.04 1.05 0.19 0.28 -1.16 0.00 0.00 179.01 179.32 1dmr h VAL 97 N 0.61 1.08 -0.53 3.13 2.07 -0.94 -1.75 116.25 119.92 1dmr h VAL 97 Ca 0.06 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1dmr h VAL 97 Cb 0.87 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1dmr h VAL 97 CO 0.08 0.08 0.11 0.50 0.02 0.00 0.00 177.57 178.35 1dmr h LYS 98 N 0.39 0.87 -0.24 1.57 1.63 -1.17 -1.39 116.57 118.22 1dmr h LYS 98 Ca 0.11 -0.22 0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1dmr h LYS 98 Cb -0.03 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 1dmr h LYS 98 CO -0.02 0.83 0.08 -0.09 -3.45 0.00 0.00 179.45 176.80 1dmr h ARG 99 N 0.76 0.18 -0.50 1.90 2.43 -0.69 -0.46 114.38 118.00 1dmr h ARG 99 Ca 0.16 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1dmr h ARG 99 Cb 0.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1dmr h ARG 99 CO 0.01 0.12 0.10 0.28 -1.51 0.00 0.00 179.97 178.96 1dmr h VAL 100 N 0.19 1.25 -0.78 0.20 2.07 -1.21 1.00 116.25 118.96 1dmr h VAL 100 Ca 0.11 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1dmr h VAL 100 Cb 0.08 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1dmr h VAL 100 CO -0.11 0.32 0.32 -0.33 0.02 0.00 0.00 177.57 177.79 1dmr h GLU 101 N 0.70 1.16 -0.10 1.57 4.39 -1.04 0.32 114.58 121.58 1dmr h GLU 101 Ca 0.15 -0.21 -0.23 0.00 0.34 0.00 0.00 59.36 59.41 1dmr h GLU 101 Cb 0.37 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1dmr h GLU 101 CO 0.01 0.94 -0.85 0.93 -1.16 0.00 0.00 179.01 178.87 1dmr h GLU 102 N 1.13 0.76 -0.03 2.33 4.39 -0.90 -0.96 114.58 121.30 1dmr h GLU 102 Ca 0.26 -0.68 -0.12 0.00 0.34 0.00 0.00 59.36 59.17 1dmr h GLU 102 Cb 0.20 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1dmr h GLU 102 CO -0.02 1.27 -0.44 1.15 -1.16 0.00 0.00 179.01 179.82 1dmr h THR 103 N 0.48 1.45 -0.00 1.13 2.02 -0.70 -3.39 112.91 113.89 1dmr h THR 103 Ca -0.08 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1dmr h THR 103 Cb 1.49 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1dmr h THR 103 CO 0.17 0.55 -0.36 -1.22 0.37 0.00 0.00 175.52 175.04 1dmr n TYR 104 N -4.34 0.00 0.00 3.16 4.01 0.09 -5.08 117.16 115.00 1dmr n TYR 104 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1dmr n TYR 104 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1dmr n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dmr n GLY 105 N 1.13 -0.83 0.27 2.72 0.00 -0.36 -3.98 105.19 104.14 1dmr n GLY 105 Ca 0.02 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.47 1dmr n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dmr h PRO 106 N 0.00 0.00 0.00 1.61 0.13 -1.80 -1.23 132.00 130.71 1dmr h PRO 106 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1dmr h PRO 106 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1dmr h PRO 106 CO 0.00 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.26 1dmr n GLU 107 N -3.68 0.16 0.03 0.86 4.71 -1.26 -2.33 120.64 119.13 1dmr n GLU 107 Ca -0.02 0.48 0.13 0.00 -0.01 0.00 0.00 57.16 57.74 1dmr n GLU 107 Cb 0.22 -1.87 0.39 0.00 -1.01 0.00 0.00 31.44 29.17 1dmr n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dmr n GLY 108 N -0.45 -1.46 3.31 0.62 0.00 -0.46 -3.77 105.19 102.98 1dmr n GLY 108 Ca 0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1dmr n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dmr s VAL 109 N -3.05 3.32 -0.32 1.61 1.01 -0.98 -0.60 120.40 121.38 1dmr s VAL 109 Ca 0.11 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1dmr s VAL 109 Cb 0.16 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1dmr s VAL 109 CO 0.63 0.43 0.56 0.12 0.00 0.00 0.00 175.10 176.83 1dmr s PHE 110 N 1.43 3.20 -0.15 5.22 5.36 -0.20 -0.32 117.98 132.52 1dmr s PHE 110 Ca 0.05 0.39 0.17 0.00 -0.96 0.00 0.00 56.93 56.58 1dmr s PHE 110 Cb -0.14 -2.93 0.32 0.00 -0.34 0.00 0.00 43.02 39.93 1dmr s PHE 110 CO -0.03 -0.49 1.17 0.41 -1.46 0.00 0.00 175.22 174.82 1dmr n GLY 111 N 4.61 4.93 0.25 13.12 0.00 0.21 -2.65 105.19 125.68 1dmr n GLY 111 Ca -0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 1dmr n GLY 111 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dmr h GLY 112 N 0.27 0.90 -7.03 -0.02 0.00 -1.84 -3.46 103.07 91.89 1dmr h GLY 112 Ca -0.00 -0.43 -0.61 0.00 0.00 0.00 0.00 47.33 46.28 1dmr h GLY 112 CO 0.00 0.41 -0.99 -1.26 0.00 0.00 0.00 176.54 174.70 1dmr n SER 113 N -4.55 -1.09 -4.72 0.19 2.88 -1.26 -4.71 113.62 100.36 1dmr n SER 113 Ca 0.04 -1.29 -0.43 0.00 -1.33 0.00 0.00 58.87 55.86 1dmr n SER 113 Cb 0.11 -1.61 -0.01 0.00 -0.75 0.00 0.00 64.21 61.94 1dmr n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dmr n TYR 114 N -4.80 2.49 0.00 0.66 9.36 -1.26 -4.71 117.16 118.90 1dmr n TYR 114 Ca -0.24 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1dmr n TYR 114 Cb 0.64 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 1dmr n TYR 114 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1dmr n GLY 115 N 1.24 1.94 0.15 2.98 0.00 -1.26 -4.22 105.19 106.02 1dmr n GLY 115 Ca 0.06 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1dmr n GLY 115 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1dmr h TRP 116 N 0.00 0.00 0.00 1.61 4.06 -1.88 -3.46 115.95 116.28 1dmr h TRP 116 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1dmr h TRP 116 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1dmr h TRP 116 CO 0.00 0.00 0.00 0.36 -3.56 0.00 0.00 178.44 175.24 1dmr n LYS 117 N -2.63 0.00 -4.11 0.49 2.85 -0.51 -4.73 118.16 109.53 1dmr n LYS 117 Ca 0.05 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.20 1dmr n LYS 117 Cb 0.48 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 1dmr n LYS 117 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1dmr s SER 118 N -4.00 0.88 0.96 -5.58 0.01 -1.26 -5.02 113.70 99.68 1dmr s SER 118 Ca 0.00 -0.83 -0.12 0.00 1.31 0.00 0.00 55.95 56.31 1dmr s SER 118 Cb 0.00 0.09 0.17 0.00 0.21 0.00 0.00 66.02 66.49 1dmr s SER 118 CO 0.00 -0.40 1.09 -2.84 0.41 0.00 0.00 173.24 171.51 1dmr s PRO 119 N -2.98 0.74 0.00 12.44 0.02 -1.26 -4.87 135.00 139.09 1dmr s PRO 119 Ca 0.02 0.64 0.00 0.00 0.02 0.00 0.00 61.00 61.68 1dmr s PRO 119 Cb -0.00 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1dmr s PRO 119 CO -0.04 -2.55 0.00 0.41 -0.33 0.00 0.00 177.00 174.49 1dmr n GLY 120 N -1.08 4.25 0.08 0.52 0.00 -1.26 -4.91 105.19 102.79 1dmr n GLY 120 Ca 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 1dmr n GLY 120 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dmr h ARG 121 N 0.00 0.00 0.00 1.61 2.47 -1.58 -3.36 114.38 113.52 1dmr h ARG 121 Ca 0.00 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.47 1dmr h ARG 121 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1dmr h ARG 121 CO 0.00 0.81 -1.44 -0.11 0.56 0.00 0.00 179.97 179.79 1dmr n LEU 122 N -3.28 1.88 -3.36 3.04 7.94 -1.26 -1.96 117.00 120.00 1dmr n LEU 122 Ca -0.01 0.43 -0.39 0.00 -1.11 0.00 0.00 56.01 54.93 1dmr n LEU 122 Cb 0.89 -0.91 -0.02 0.00 0.53 0.00 0.00 43.42 43.91 1dmr n LEU 122 CO 0.45 0.23 2.70 1.41 -1.11 0.00 0.00 177.39 181.07 1dmr n HIS 123 N -4.42 2.45 -3.24 1.96 8.25 -1.26 -4.81 115.22 114.15 1dmr n HIS 123 Ca -0.33 -2.86 -0.46 0.00 -0.26 0.00 0.00 57.72 53.81 1dmr n HIS 123 Cb 0.67 -2.04 -0.02 0.00 1.12 0.00 0.00 29.99 29.72 1dmr n HIS 123 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1dmr s ASN 124 N 1.02 6.80 0.34 0.41 3.84 -1.26 -4.78 114.94 121.31 1dmr s ASN 124 Ca 0.60 -2.66 0.04 0.00 0.21 0.00 0.00 52.86 51.05 1dmr s ASN 124 Cb 0.19 -2.25 0.67 0.00 -0.55 0.00 0.00 41.25 39.31 1dmr s ASN 124 CO -0.09 -0.65 1.94 0.00 -2.79 0.00 0.00 177.10 175.52 1dmr h THR 126 N 0.84 1.39 -0.27 0.00 1.35 -1.92 -0.47 112.91 113.84 1dmr h THR 126 Ca 0.34 -2.20 -0.16 0.00 -0.55 0.00 0.00 66.41 63.84 1dmr h THR 126 Cb 0.24 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1dmr h THR 126 CO -0.12 0.66 -0.47 0.74 -0.25 0.00 0.00 175.52 176.08 1dmr h THR 127 N 0.25 1.30 -0.36 6.82 2.02 -1.86 -2.30 112.91 118.77 1dmr h THR 127 Ca -0.03 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 65.40 1dmr h THR 127 Cb 1.33 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 1dmr h THR 127 CO 0.13 0.53 -0.09 -0.07 0.37 0.00 0.00 175.52 176.39 1dmr h LEU 128 N 0.56 0.60 0.02 2.58 3.38 -0.89 -0.03 115.31 121.52 1dmr h LEU 128 Ca 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1dmr h LEU 128 Cb 1.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1dmr h LEU 128 CO 0.10 0.73 -0.01 0.25 0.09 0.00 0.00 178.44 179.60 1dmr h LEU 129 N 0.57 -0.02 -1.41 1.67 5.85 -0.93 -1.73 115.31 119.31 1dmr h LEU 129 Ca 0.11 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1dmr h LEU 129 Cb 0.50 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1dmr h LEU 129 CO 0.03 0.02 -0.29 0.03 -0.34 0.00 0.00 178.44 177.89 1dmr h ARG 130 N -0.05 0.00 -0.44 1.25 3.08 -1.05 -0.55 114.38 116.62 1dmr h ARG 130 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1dmr h ARG 130 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1dmr h ARG 130 CO 0.00 0.29 0.19 -0.09 -1.07 0.00 0.00 179.97 179.29 1dmr h ARG 131 N 0.00 0.65 -0.23 0.04 2.43 -0.68 -0.37 114.38 116.22 1dmr h ARG 131 Ca -0.00 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1dmr h ARG 131 Cb 0.58 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1dmr h ARG 131 CO 0.04 0.58 -0.10 1.98 -1.51 0.00 0.00 179.97 180.96 1dmr h MET 132 N 0.56 0.46 -0.09 0.20 4.05 -0.76 -3.01 114.93 116.34 1dmr h MET 132 Ca 0.15 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 1dmr h MET 132 Cb 0.17 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1dmr h MET 132 CO -0.01 0.73 -0.17 -0.07 0.23 0.00 0.00 176.91 177.62 1dmr h LEU 133 N 0.18 0.14 -0.55 3.39 3.38 -1.01 -0.95 115.31 119.88 1dmr h LEU 133 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1dmr h LEU 133 Cb 0.58 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1dmr h LEU 133 CO 0.03 0.33 0.36 0.74 0.09 0.00 0.00 178.44 179.99 1dmr h THR 134 N 0.14 1.15 0.00 0.22 2.02 -0.99 -0.76 112.91 114.70 1dmr h THR 134 Ca 0.03 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1dmr h THR 134 Cb 0.39 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1dmr h THR 134 CO 0.03 0.14 -0.31 -0.07 0.37 0.00 0.00 175.52 175.68 1dmr h LEU 135 N 0.75 0.00 -0.14 2.58 3.38 -1.09 -2.65 115.31 118.14 1dmr h LEU 135 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1dmr h LEU 135 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1dmr h LEU 135 CO -0.04 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1dmr n ALA 136 N -2.48 2.13 0.00 1.53 0.00 -0.52 -4.89 120.51 116.28 1dmr n ALA 136 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1dmr n ALA 136 Cb 0.36 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1dmr n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dmr n GLY 137 N 1.00 0.91 0.00 0.00 0.00 -0.91 -4.91 105.19 101.29 1dmr n GLY 137 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1dmr n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmr n GLY 138 N 0.00 1.76 3.61 -0.02 0.00 -0.35 -4.55 105.19 105.64 1dmr n GLY 138 Ca 0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 1dmr n GLY 138 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dmr s TYR 139 N -1.49 -0.25 -0.10 1.61 1.13 -1.25 -4.70 117.35 112.31 1dmr s TYR 139 Ca 0.00 0.05 -0.18 0.00 -1.41 0.00 0.00 57.07 55.53 1dmr s TYR 139 Cb 0.00 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 1dmr s TYR 139 CO 0.00 -0.64 0.47 0.08 -2.51 0.00 0.00 175.55 172.95 1dmr s VAL 140 N -3.15 5.15 0.52 -3.49 1.01 0.57 -4.89 120.40 116.12 1dmr s VAL 140 Ca 0.08 0.95 0.06 0.00 0.00 0.00 0.00 61.98 63.07 1dmr s VAL 140 Cb -0.01 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1dmr s VAL 140 CO -0.04 0.36 0.43 0.21 0.00 0.00 0.00 175.10 176.06 1dmr s ASN 141 N 0.36 4.74 0.17 3.32 3.84 -0.33 -0.61 114.94 126.42 1dmr s ASN 141 Ca 0.26 -1.12 0.09 0.00 0.21 0.00 0.00 52.86 52.30 1dmr s ASN 141 Cb -0.15 0.20 -0.04 0.00 -0.55 0.00 0.00 41.25 40.70 1dmr s ASN 141 CO 0.11 -1.03 -0.12 -0.83 -2.79 0.00 0.00 177.10 172.45 1dmr s GLY 142 N -4.28 1.73 0.08 1.21 0.00 -1.26 -1.94 107.32 102.86 1dmr s GLY 142 Ca 0.39 -1.47 0.09 0.00 0.00 0.00 0.00 44.72 43.74 1dmr s GLY 142 CO 0.24 -1.48 -0.23 0.00 0.00 0.00 0.00 173.10 171.63 1dmr s ALA 143 N -1.63 1.97 0.00 3.20 0.00 0.29 -4.85 121.76 120.74 1dmr s ALA 143 Ca 0.24 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1dmr s ALA 143 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1dmr s ALA 143 CO 0.14 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1dmr n GLY 144 N 1.35 -1.38 3.66 0.00 0.00 -1.26 -1.64 105.19 105.92 1dmr n GLY 144 Ca -0.18 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 1dmr n GLY 144 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1dmr s ASP 145 N -4.00 0.21 0.00 1.61 1.47 -1.26 -4.79 116.67 109.91 1dmr s ASP 145 Ca 0.00 -1.12 0.29 0.00 1.18 0.00 0.00 52.55 52.90 1dmr s ASP 145 Cb 0.00 0.71 1.23 0.00 -0.34 0.00 0.00 42.92 44.51 1dmr s ASP 145 CO 0.00 -1.38 1.87 -1.22 0.68 0.00 0.00 175.17 175.12 1dmr n TYR 146 N -0.49 0.00 -0.09 2.11 4.02 -1.26 -3.31 117.16 118.13 1dmr n TYR 146 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.68 1dmr n TYR 146 Cb 0.61 -0.24 -0.11 0.00 -0.02 0.00 0.00 39.34 39.57 1dmr n TYR 146 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1dmr h SER 147 N 0.34 0.00 -0.52 7.72 0.02 -1.98 -3.41 113.55 115.72 1dmr h SER 147 Ca 0.00 -0.60 -0.35 0.00 -0.84 0.00 0.00 61.79 60.00 1dmr h SER 147 Cb 0.37 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.51 1dmr h SER 147 CO 0.00 1.29 -0.97 0.35 -1.14 0.00 0.00 176.83 176.36 1dmr n THR 148 N -4.50 1.75 -0.33 -2.27 -2.24 -1.26 -4.84 114.28 100.59 1dmr n THR 148 Ca -0.24 -3.36 0.13 0.00 -2.27 0.00 0.00 64.05 58.30 1dmr n THR 148 Cb 0.59 0.25 0.31 0.00 -2.10 0.00 0.00 70.33 69.37 1dmr n THR 148 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1dmr h GLY 149 N 2.30 1.69 0.10 3.38 0.00 -1.79 0.92 103.07 109.66 1dmr h GLY 149 Ca 0.07 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 1dmr h GLY 149 CO 0.40 -0.12 -0.87 0.00 0.00 0.00 0.00 176.54 175.95 1dmr h ALA 150 N 1.65 0.16 -0.64 3.60 0.00 -1.89 -3.38 119.26 118.76 1dmr h ALA 150 Ca 0.56 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1dmr h ALA 150 Cb 0.93 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1dmr h ALA 150 CO -0.42 0.49 0.36 0.00 0.00 0.00 0.00 179.25 179.69 1dmr h ALA 151 N -0.25 1.43 0.00 0.00 0.00 -1.77 -2.00 119.26 116.66 1dmr h ALA 151 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1dmr h ALA 151 Cb 1.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1dmr h ALA 151 CO -0.09 0.48 0.00 -0.56 0.00 0.00 0.00 179.25 179.08 1dmr h GLN 152 N 0.89 0.00 0.06 0.00 3.07 -1.02 -1.28 115.11 116.82 1dmr h GLN 152 Ca 0.23 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.61 1dmr h GLN 152 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.53 1dmr h GLN 152 CO -0.04 0.00 -2.13 0.28 0.09 0.00 0.00 178.83 177.03 1dmr n VAL 153 N -2.73 1.63 0.07 1.86 0.31 -0.86 -4.39 118.33 114.22 1dmr n VAL 153 Ca 0.01 -0.68 -0.10 0.00 -0.01 0.00 0.00 64.34 63.57 1dmr n VAL 153 Cb 0.26 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1dmr n VAL 153 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1dmr h ILE 154 N 0.03 1.43 -0.75 2.52 6.09 -1.26 -3.35 117.51 122.23 1dmr h ILE 154 Ca -0.46 -2.41 0.04 0.00 -1.37 0.00 0.00 64.86 60.67 1dmr h ILE 154 Cb 2.02 2.33 -0.05 0.00 0.47 0.00 0.00 36.82 41.58 1dmr h ILE 154 CO 0.03 0.71 0.46 0.24 -3.07 0.00 0.00 178.15 176.53 1dmr h MET 155 N 0.18 0.85 -0.14 2.19 2.86 -1.44 -1.38 114.93 118.06 1dmr h MET 155 Ca -0.05 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1dmr h MET 155 Cb 1.44 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1dmr h MET 155 CO 0.14 0.57 0.12 -1.35 1.06 0.00 0.00 176.91 177.44 1dmr h PRO 156 N 0.88 0.00 0.00 -0.22 0.11 -1.59 0.95 132.00 132.13 1dmr h PRO 156 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1dmr h PRO 156 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1dmr h PRO 156 CO -0.14 0.00 -0.20 0.45 -0.21 0.00 0.00 178.00 177.90 1dmr h HIS 157 N 0.00 0.00 0.00 0.65 3.86 -1.44 -2.68 115.15 115.55 1dmr h HIS 157 Ca 0.07 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.99 1dmr h HIS 157 Cb 0.31 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1dmr h HIS 157 CO 0.00 0.00 -1.93 0.28 0.86 0.00 0.00 177.93 177.14 1dmr n VAL 158 N -2.75 1.40 0.36 2.45 0.31 -0.27 -4.61 118.33 115.22 1dmr n VAL 158 Ca 0.04 -0.19 0.04 0.00 -0.01 0.00 0.00 64.34 64.22 1dmr n VAL 158 Cb 0.50 -1.97 0.01 0.00 -0.91 0.00 0.00 33.84 31.47 1dmr n VAL 158 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1dmr n VAL 159 N -4.19 0.00 0.00 2.52 0.24 0.17 -1.51 118.33 115.56 1dmr n VAL 159 Ca -0.38 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1dmr n VAL 159 Cb 0.73 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 1dmr n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dmr n GLY 160 N 0.71 3.32 3.51 7.63 0.00 -1.01 -4.14 105.19 115.21 1dmr n GLY 160 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1dmr n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmr s THR 161 N -2.76 0.76 0.24 2.61 -4.23 -1.26 -4.54 115.64 106.46 1dmr s THR 161 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1dmr s THR 161 Cb 0.00 -2.45 0.23 0.00 1.34 0.00 0.00 72.50 71.63 1dmr s THR 161 CO 0.00 0.00 1.90 -0.07 -0.54 0.00 0.00 174.62 175.91 1dmr h LEU 162 N 1.85 1.11 0.00 4.79 4.07 -1.88 -2.63 115.31 122.62 1dmr h LEU 162 Ca -0.37 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1dmr h LEU 162 Cb 1.27 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1dmr h LEU 162 CO 0.61 0.82 0.00 1.21 -1.08 0.00 0.00 178.44 180.00 1dmr n GLU 163 N -4.40 0.00 0.20 1.13 4.07 -1.26 -4.60 120.64 115.78 1dmr n GLU 163 Ca 0.11 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.26 1dmr n GLU 163 Cb 0.03 -0.12 0.42 0.00 -0.06 0.00 0.00 31.44 31.71 1dmr n GLU 163 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1dmr h VAL 164 N 0.00 1.07 -0.81 6.31 -1.51 -1.89 -3.18 116.25 116.23 1dmr h VAL 164 Ca 0.00 -1.18 -0.58 0.00 -1.23 0.00 0.00 66.70 63.71 1dmr h VAL 164 Cb 0.00 1.67 -0.40 0.00 -2.13 0.00 0.00 31.29 30.43 1dmr h VAL 164 CO 0.00 0.32 -0.43 -1.22 -1.23 0.00 0.00 177.57 175.01 1dmr n TYR 165 N -3.91 2.86 -4.39 5.19 4.01 -1.26 -4.45 117.16 115.22 1dmr n TYR 165 Ca -0.02 -2.41 -0.27 0.00 -0.16 0.00 0.00 57.90 55.05 1dmr n TYR 165 Cb 0.39 -0.59 -0.12 0.00 -0.31 0.00 0.00 39.34 38.71 1dmr n TYR 165 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1dmr s GLU 166 N -3.65 1.42 0.42 -0.72 2.02 -1.20 -5.10 118.70 111.87 1dmr s GLU 166 Ca 0.54 -1.41 -0.27 0.00 0.02 0.00 0.00 54.97 53.85 1dmr s GLU 166 Cb 0.43 -1.79 -0.10 0.00 0.10 0.00 0.00 34.13 32.78 1dmr s GLU 166 CO 0.03 0.40 1.46 0.94 0.02 0.00 0.00 175.26 178.11 1dmr n GLN 167 N 0.60 2.46 -3.12 1.61 -0.06 -1.26 -4.84 117.38 112.77 1dmr n GLN 167 Ca -0.15 0.87 -0.21 0.00 -2.00 0.00 0.00 57.00 55.50 1dmr n GLN 167 Cb 0.55 -2.65 0.01 0.00 -4.06 0.00 0.00 30.24 24.09 1dmr n GLN 167 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1dmr s GLN 168 N -2.28 3.01 0.13 3.69 -1.52 -1.26 -4.89 119.66 116.54 1dmr s GLN 168 Ca 0.57 -0.75 -0.35 0.00 -1.95 0.00 0.00 55.36 52.88 1dmr s GLN 168 Cb -0.46 -2.66 -0.15 0.00 -0.22 0.00 0.00 33.01 29.52 1dmr s GLN 168 CO 0.61 -0.20 1.46 2.41 -0.25 0.00 0.00 175.29 179.31 1dmr n THR 169 N -1.94 0.03 -1.66 -0.19 -1.04 -1.26 -4.38 114.28 103.83 1dmr n THR 169 Ca 0.02 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.63 1dmr n THR 169 Cb 0.58 -1.19 0.04 0.00 -1.82 0.00 0.00 70.33 67.94 1dmr n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dmr n ALA 170 N 2.94 0.75 -0.20 2.41 0.00 -0.43 -4.66 120.51 121.33 1dmr n ALA 170 Ca 0.17 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 1dmr n ALA 170 Cb 0.24 -2.20 0.10 0.00 0.00 0.00 0.00 19.45 17.59 1dmr n ALA 170 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1dmr h TRP 171 N 1.15 0.40 -0.34 0.00 4.06 -1.44 -1.12 115.95 118.66 1dmr h TRP 171 Ca -0.48 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1dmr h TRP 171 Cb 1.33 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.39 1dmr h TRP 171 CO 0.42 0.12 0.23 -1.35 -3.56 0.00 0.00 178.44 174.29 1dmr h PRO 172 N 0.42 0.45 -0.59 0.49 0.11 -1.85 -1.19 132.00 129.83 1dmr h PRO 172 Ca 0.29 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1dmr h PRO 172 Cb 0.34 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1dmr h PRO 172 CO -0.29 0.30 -0.01 0.28 -0.21 0.00 0.00 178.00 178.08 1dmr h VAL 173 N 0.46 1.26 -0.41 3.15 2.07 -1.42 -2.52 116.25 118.85 1dmr h VAL 173 Ca 0.13 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1dmr h VAL 173 Cb -0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1dmr h VAL 173 CO -0.03 0.42 0.16 -0.07 0.02 0.00 0.00 177.57 178.07 1dmr h LEU 174 N 0.96 0.57 -1.19 2.57 3.38 -0.88 -1.91 115.31 118.81 1dmr h LEU 174 Ca 0.17 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1dmr h LEU 174 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1dmr h LEU 174 CO 0.03 0.58 0.56 0.00 0.09 0.00 0.00 178.44 179.70 1dmr h ALA 175 N 1.00 1.46 0.00 1.53 0.00 -1.10 0.18 119.26 122.34 1dmr h ALA 175 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dmr h ALA 175 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1dmr h ALA 175 CO -0.01 0.46 -0.43 0.93 0.00 0.00 0.00 179.25 180.20 1dmr h GLU 176 N 1.07 0.00 0.00 0.00 4.39 -1.34 -3.42 114.58 115.27 1dmr h GLU 176 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1dmr h GLU 176 Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1dmr h GLU 176 CO -0.09 0.00 -0.76 0.09 -1.16 0.00 0.00 179.01 177.09 1dmr n ASN 177 N -2.81 3.81 -4.75 1.42 3.02 -0.73 -5.06 115.26 110.15 1dmr n ASN 177 Ca 0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 1dmr n ASN 177 Cb 0.52 0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 40.13 1dmr n ASN 177 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dmr s THR 178 N -1.70 3.62 -0.15 3.41 2.01 0.02 -4.81 115.64 118.03 1dmr s THR 178 Ca 0.00 1.55 0.09 0.00 0.31 0.00 0.00 61.69 63.64 1dmr s THR 178 Cb 0.00 -3.99 -0.16 0.00 0.01 0.00 0.00 72.50 68.37 1dmr s THR 178 CO 0.00 0.34 -0.02 -0.62 -0.69 0.00 0.00 174.62 173.63 1dmr n GLU 179 N 1.58 1.32 -3.85 4.92 1.02 -0.21 -4.90 120.64 120.51 1dmr n GLU 179 Ca 0.00 0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 1dmr n GLU 179 Cb 0.45 -1.36 -0.17 0.00 -0.02 0.00 0.00 31.44 30.34 1dmr n GLU 179 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1dmr s VAL 180 N -2.35 0.81 -0.22 2.62 1.01 -0.67 -2.27 120.40 119.33 1dmr s VAL 180 Ca -0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1dmr s VAL 180 Cb 0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1dmr s VAL 180 CO 0.53 0.23 0.01 -0.32 0.00 0.00 0.00 175.10 175.55 1dmr s MET 181 N 1.78 3.55 -0.21 2.72 1.75 -0.03 -1.70 119.30 127.17 1dmr s MET 181 Ca 0.04 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.89 1dmr s MET 181 Cb -0.13 -3.14 -0.02 0.00 2.84 0.00 0.00 34.83 34.37 1dmr s MET 181 CO -0.07 -0.13 -0.00 0.08 -0.65 0.00 0.00 175.02 174.25 1dmr s VAL 182 N 1.37 3.84 -0.48 10.11 1.01 -0.34 -1.06 120.40 134.85 1dmr s VAL 182 Ca 0.05 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1dmr s VAL 182 Cb -0.15 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.57 1dmr s VAL 182 CO 0.01 0.42 0.41 -0.36 0.00 0.00 0.00 175.10 175.57 1dmr s PHE 183 N 1.19 3.25 -0.43 5.22 0.08 0.44 -0.45 117.98 127.27 1dmr s PHE 183 Ca 0.03 -0.98 -0.14 0.00 0.12 0.00 0.00 56.93 55.97 1dmr s PHE 183 Cb -0.14 -3.25 0.05 0.00 -0.57 0.00 0.00 43.02 39.11 1dmr s PHE 183 CO 0.01 -0.83 0.32 -0.46 -0.10 0.00 0.00 175.22 174.16 1dmr s TRP 184 N 1.64 3.26 -1.32 0.36 -0.11 0.58 -1.30 118.94 122.04 1dmr s TRP 184 Ca 0.04 -0.93 -0.06 0.00 1.22 0.00 0.00 56.10 56.37 1dmr s TRP 184 Cb -0.25 -2.86 0.01 0.00 -1.50 0.00 0.00 33.47 28.86 1dmr s TRP 184 CO 0.06 -0.72 0.85 0.00 -4.62 0.00 0.00 176.95 172.52 1dmr n ALA 185 N 5.12 -1.06 -3.09 5.86 0.00 -0.25 -0.96 120.51 126.13 1dmr n ALA 185 Ca -0.12 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1dmr n ALA 185 Cb 0.45 -4.45 -0.15 0.00 0.00 0.00 0.00 19.45 15.31 1dmr n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dmr s ALA 186 N -3.22 0.08 -0.56 0.00 0.00 -1.26 -3.03 121.76 113.77 1dmr s ALA 186 Ca 0.42 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1dmr s ALA 186 Cb -0.19 -0.08 0.18 0.00 0.00 0.00 0.00 23.12 23.04 1dmr s ALA 186 CO 0.52 -0.02 0.45 -3.47 0.00 0.00 0.00 175.76 173.25 1dmr n ASP 187 N 3.35 1.45 0.11 0.00 2.03 -1.26 -4.90 116.55 117.32 1dmr n ASP 187 Ca -0.16 -2.85 0.05 0.00 0.52 0.00 0.00 54.79 52.35 1dmr n ASP 187 Cb 0.57 -0.66 0.50 0.00 -0.72 0.00 0.00 41.12 40.81 1dmr n ASP 187 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1dmr h PRO 188 N 5.31 0.30 -0.75 -0.67 0.13 -1.91 -1.65 132.00 132.75 1dmr h PRO 188 Ca 0.20 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1dmr h PRO 188 Cb 0.82 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 1dmr h PRO 188 CO 0.57 0.23 0.33 0.82 -0.23 0.00 0.00 178.00 179.72 1dmr h ILE 189 N 0.31 1.25 0.13 -3.56 2.04 -1.93 -1.24 117.51 114.50 1dmr h ILE 189 Ca 0.08 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1dmr h ILE 189 Cb 0.03 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1dmr h ILE 189 CO -0.01 0.31 -0.06 0.50 0.00 0.00 0.00 178.15 178.88 1dmr h LYS 190 N 1.07 -0.17 0.00 2.37 3.64 -1.83 -3.36 116.57 118.29 1dmr h LYS 190 Ca 0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1dmr h LYS 190 Cb 0.16 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1dmr h LYS 190 CO -0.03 0.27 -0.03 0.25 -2.27 0.00 0.00 179.45 177.64 1dmr n THR 191 N -4.93 0.10 1.68 1.00 -2.24 -0.68 -3.60 114.28 105.61 1dmr n THR 191 Ca -0.08 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1dmr n THR 191 Cb 0.27 -0.47 0.55 0.00 -2.10 0.00 0.00 70.33 68.58 1dmr n THR 191 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1dmr n SER 192 N -1.63 0.75 0.23 3.42 7.64 -0.47 -3.94 113.62 119.61 1dmr n SER 192 Ca 0.07 -1.46 0.09 0.00 1.01 0.00 0.00 58.87 58.58 1dmr n SER 192 Cb 0.36 -0.03 0.53 0.00 -1.01 0.00 0.00 64.21 64.05 1dmr n SER 192 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1dmr h GLN 193 N 1.05 0.00 -5.81 1.43 4.20 -1.78 -3.44 115.11 110.77 1dmr h GLN 193 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 1dmr h GLN 193 Cb 0.23 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.87 1dmr h GLN 193 CO 0.00 0.24 -0.64 0.96 -0.67 0.00 0.00 178.83 178.71 1dmr s ILE 194 N -3.97 2.13 0.06 2.54 -5.25 -1.25 -4.61 121.20 110.85 1dmr s ILE 194 Ca -0.02 -2.11 -0.01 0.00 -0.99 0.00 0.00 60.65 57.53 1dmr s ILE 194 Cb 0.12 -2.81 -0.04 0.00 2.95 0.00 0.00 42.46 42.68 1dmr s ILE 194 CO 0.64 -0.11 -0.03 -0.83 -1.79 0.00 0.00 174.94 172.83 1dmr s GLY 195 N -3.66 0.54 -0.06 6.27 0.00 -0.28 -4.06 107.32 106.08 1dmr s GLY 195 Ca 0.34 -1.24 -0.25 0.00 0.00 0.00 0.00 44.72 43.57 1dmr s GLY 195 CO 0.17 -1.34 1.01 -0.25 0.00 0.00 0.00 173.10 172.69 1dmr h TRP 196 N 3.11 -0.08 -4.44 1.90 2.91 -1.93 -3.42 115.95 114.00 1dmr h TRP 196 Ca -0.34 -0.00 -0.22 0.00 1.13 0.00 0.00 58.89 59.46 1dmr h TRP 196 Cb 1.15 0.03 0.04 0.00 -0.51 0.00 0.00 29.16 29.86 1dmr h TRP 196 CO 0.53 0.50 0.04 1.33 -1.03 0.00 0.00 178.44 179.81 1dmr n VAL 197 N -4.83 0.00 -1.74 2.65 0.24 -1.26 -4.49 118.33 108.89 1dmr n VAL 197 Ca -0.08 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.03 1dmr n VAL 197 Cb 0.30 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.54 1dmr n VAL 197 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1dmr s ILE 198 N -1.26 2.04 0.45 1.34 -1.09 -0.97 -4.77 121.20 116.93 1dmr s ILE 198 Ca 0.31 0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.55 1dmr s ILE 198 Cb -0.02 -3.02 -0.10 0.00 -1.58 0.00 0.00 42.46 37.74 1dmr s ILE 198 CO 0.21 0.00 0.98 -2.16 -1.23 0.00 0.00 174.94 172.74 1dmr s PRO 199 N 0.83 4.10 0.00 2.79 0.04 -1.26 -0.12 135.00 141.38 1dmr s PRO 199 Ca 0.72 1.19 0.18 0.00 0.04 0.00 0.00 61.00 63.13 1dmr s PRO 199 Cb -0.49 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 31.92 1dmr s PRO 199 CO 0.35 -0.15 0.95 -0.85 0.04 0.00 0.00 177.00 177.34 1dmr n GLU 200 N -0.75 1.58 -3.46 4.56 0.00 -1.26 -4.59 120.64 116.72 1dmr n GLU 200 Ca 0.08 -1.02 -0.25 0.00 0.00 0.00 0.00 57.16 55.97 1dmr n GLU 200 Cb 0.54 -1.33 0.05 0.00 0.00 0.00 0.00 31.44 30.69 1dmr n GLU 200 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1dmr n HIS 201 N 0.15 -2.36 0.30 -1.84 8.25 -1.26 -4.55 115.22 113.91 1dmr n HIS 201 Ca 0.08 0.78 0.18 0.00 -0.26 0.00 0.00 57.72 58.49 1dmr n HIS 201 Cb 0.39 -4.42 0.75 0.00 1.12 0.00 0.00 29.99 27.83 1dmr n HIS 201 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1dmr h GLY 202 N -1.97 0.00 1.93 -1.41 0.00 -1.90 -2.92 103.07 96.80 1dmr h GLY 202 Ca -0.55 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 1dmr h GLY 202 CO 0.59 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.77 1dmr h ALA 203 N 2.03 1.34 -0.00 3.60 0.00 -1.90 -3.20 119.26 121.12 1dmr h ALA 203 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1dmr h ALA 203 Cb 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dmr h ALA 203 CO 0.00 0.48 0.00 1.88 0.00 0.00 0.00 179.25 181.61 1dmr h TYR 204 N 0.07 0.00 -0.89 0.00 0.05 -1.91 0.19 116.97 114.48 1dmr h TYR 204 Ca 0.01 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1dmr h TYR 204 Cb 0.66 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.35 1dmr h TYR 204 CO 0.00 0.16 0.59 -1.35 -1.05 0.00 0.00 178.16 176.51 1dmr h PRO 205 N -0.15 1.18 -0.33 4.88 0.11 -1.77 -0.69 132.00 135.21 1dmr h PRO 205 Ca 0.00 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.04 1dmr h PRO 205 Cb 0.16 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 1dmr h PRO 205 CO -0.00 0.78 0.21 0.78 -0.21 0.00 0.00 178.00 179.56 1dmr h GLY 206 N 1.21 0.47 1.05 -0.55 0.00 -1.41 -1.25 103.07 102.59 1dmr h GLY 206 Ca 0.33 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1dmr h GLY 206 CO -0.07 0.15 0.08 1.41 0.00 0.00 0.00 176.54 178.11 1dmr h LEU 207 N 0.43 1.00 -0.94 3.11 3.38 -0.17 -2.75 115.31 119.37 1dmr h LEU 207 Ca 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1dmr h LEU 207 Cb -0.03 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1dmr h LEU 207 CO -0.04 1.02 0.56 -0.33 0.09 0.00 0.00 178.44 179.74 1dmr h GLU 208 N 0.95 1.29 -0.44 1.13 5.08 -0.95 -2.25 114.58 119.39 1dmr h GLU 208 Ca 0.19 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1dmr h GLU 208 Cb 0.46 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1dmr h GLU 208 CO 0.02 0.91 -0.02 0.00 -1.00 0.00 0.00 179.01 178.91 1dmr h ALA 209 N 1.31 1.13 -0.57 3.43 0.00 -1.05 -0.94 119.26 122.56 1dmr h ALA 209 Ca 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dmr h ALA 209 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1dmr h ALA 209 CO -0.06 0.55 0.26 -0.07 0.00 0.00 0.00 179.25 179.94 1dmr h LEU 210 N 0.69 0.76 -0.58 0.00 3.38 -1.15 -2.03 115.31 116.38 1dmr h LEU 210 Ca 0.13 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1dmr h LEU 210 Cb 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1dmr h LEU 210 CO 0.02 0.69 0.09 0.50 0.09 0.00 0.00 178.44 179.83 1dmr h LYS 211 N 0.78 0.96 -0.09 1.13 3.64 -1.13 -2.78 116.57 119.08 1dmr h LYS 211 Ca 0.19 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1dmr h LYS 211 Cb 0.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1dmr h LYS 211 CO -0.02 0.91 -0.23 0.00 -2.27 0.00 0.00 179.45 177.84 1dmr h ALA 212 N 1.01 1.45 0.00 5.00 0.00 -0.98 -2.24 119.26 123.49 1dmr h ALA 212 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dmr h ALA 212 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dmr h ALA 212 CO 0.01 0.39 0.00 0.87 0.00 0.00 0.00 179.25 180.52 1dmr h LYS 213 N 0.14 0.00 -0.02 0.00 1.79 -1.19 -3.47 116.57 113.82 1dmr h LYS 213 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1dmr h LYS 213 Cb 0.49 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1dmr h LYS 213 CO 0.03 0.00 -0.01 0.41 -1.08 0.00 0.00 179.45 178.81 1dmr n GLY 214 N 0.65 0.40 3.76 3.86 0.00 -0.84 -5.02 105.19 108.00 1dmr n GLY 214 Ca 0.03 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1dmr n GLY 214 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dmr n THR 215 N -3.13 2.65 -2.49 2.61 -1.04 -1.15 -4.95 114.28 106.78 1dmr n THR 215 Ca -0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 1dmr n THR 215 Cb 0.08 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.70 1dmr n THR 215 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1dmr s LYS 216 N -2.38 4.42 -0.10 -2.82 2.20 -0.96 -4.91 119.74 115.19 1dmr s LYS 216 Ca 0.60 1.67 0.02 0.00 -0.36 0.00 0.00 55.97 57.90 1dmr s LYS 216 Cb -0.46 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.39 1dmr s LYS 216 CO 0.59 -0.31 -0.16 0.08 -0.36 0.00 0.00 175.35 175.18 1dmr s VAL 217 N 1.57 2.80 -0.08 4.02 1.01 -1.26 -0.85 120.40 127.62 1dmr s VAL 217 Ca 0.56 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1dmr s VAL 217 Cb -0.26 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1dmr s VAL 217 CO 0.26 0.55 -0.23 -0.63 0.00 0.00 0.00 175.10 175.04 1dmr s ILE 218 N 0.04 1.97 -0.14 2.22 1.01 -0.22 -2.07 121.20 124.00 1dmr s ILE 218 Ca -0.06 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1dmr s ILE 218 Cb -0.15 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 1dmr s ILE 218 CO 0.05 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.66 1dmr s VAL 219 N 0.13 2.45 -0.39 2.92 1.01 -0.17 -0.42 120.40 125.94 1dmr s VAL 219 Ca -0.12 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1dmr s VAL 219 Cb -0.16 -2.00 0.09 0.00 0.00 0.00 0.00 36.38 34.31 1dmr s VAL 219 CO 0.06 0.53 0.17 -0.63 0.00 0.00 0.00 175.10 175.23 1dmr s ILE 220 N 0.64 3.32 -0.28 2.22 1.01 -0.42 -1.07 121.20 126.62 1dmr s ILE 220 Ca -0.10 -1.86 -0.25 0.00 0.00 0.00 0.00 60.65 58.45 1dmr s ILE 220 Cb -0.16 -3.18 0.10 0.00 0.01 0.00 0.00 42.46 39.23 1dmr s ILE 220 CO 0.02 -0.56 0.89 -0.62 0.00 0.00 0.00 174.94 174.67 1dmr s ASP 221 N 1.73 -0.59 0.27 3.58 -1.08 -0.60 -1.09 116.67 118.89 1dmr s ASP 221 Ca 0.05 1.14 0.22 0.00 -0.52 0.00 0.00 52.55 53.44 1dmr s ASP 221 Cb -0.22 1.16 1.02 0.00 -1.46 0.00 0.00 42.92 43.41 1dmr s ASP 221 CO -0.03 -0.20 1.66 -0.81 0.52 0.00 0.00 175.17 176.31 1dmr n PRO 222 N 2.49 0.16 -5.02 4.34 -0.04 -1.26 -4.31 135.00 131.35 1dmr n PRO 222 Ca -0.13 0.51 -0.32 0.00 -0.04 0.00 0.00 63.50 63.52 1dmr n PRO 222 Cb 0.56 -1.89 -0.14 0.00 -0.04 0.00 0.00 33.50 31.99 1dmr n PRO 222 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dmr s VAL 223 N -3.40 2.73 -0.99 0.52 1.01 -1.26 -2.03 120.40 116.98 1dmr s VAL 223 Ca 0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1dmr s VAL 223 Cb 0.08 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 34.48 1dmr s VAL 223 CO 0.29 0.58 1.40 -0.60 0.00 0.00 0.00 175.10 176.78 1dmr s ARG 224 N -0.71 3.57 0.87 2.72 3.52 0.77 -4.98 118.95 124.71 1dmr s ARG 224 Ca 0.11 -1.15 -0.10 0.00 -0.13 0.00 0.00 55.73 54.46 1dmr s ARG 224 Cb -0.10 -5.25 0.17 0.00 -1.56 0.00 0.00 34.95 28.21 1dmr s ARG 224 CO 0.00 -2.16 1.20 0.95 -0.81 0.00 0.00 175.30 174.48 1dmr s THR 225 N 4.76 2.05 0.40 4.11 -4.23 -1.26 -4.91 115.64 116.56 1dmr s THR 225 Ca 0.44 -0.21 0.20 0.00 -1.18 0.00 0.00 61.69 60.94 1dmr s THR 225 Cb -0.01 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 71.20 1dmr s THR 225 CO -0.09 0.00 1.98 0.11 -0.54 0.00 0.00 174.62 176.08 1dmr h LYS 226 N -1.23 0.00 -0.53 3.99 1.57 -1.98 -1.85 116.57 116.54 1dmr h LYS 226 Ca -0.42 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1dmr h LYS 226 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 1dmr h LYS 226 CO 0.40 0.20 0.28 1.15 -0.57 0.00 0.00 179.45 180.91 1dmr h THR 227 N 0.00 1.18 0.00 -0.16 2.02 -1.93 0.37 112.91 114.40 1dmr h THR 227 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1dmr h THR 227 Cb 0.43 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1dmr h THR 227 CO 0.03 0.20 -0.02 0.58 0.37 0.00 0.00 175.52 176.68 1dmr h VAL 228 N 0.71 0.95 -0.60 3.16 2.07 -1.73 -3.11 116.25 117.72 1dmr h VAL 228 Ca 0.19 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 1dmr h VAL 228 Cb 0.06 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1dmr h VAL 228 CO -0.03 0.00 0.17 -0.33 0.02 0.00 0.00 177.57 177.40 1dmr h GLU 229 N -0.03 0.91 -0.67 1.57 5.08 -1.13 0.02 114.58 120.32 1dmr h GLU 229 Ca 0.01 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1dmr h GLU 229 Cb 0.04 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1dmr h GLU 229 CO -0.02 0.80 0.11 0.35 -1.00 0.00 0.00 179.01 179.25 1dmr h PHE 230 N 0.88 1.19 0.00 4.33 3.57 -0.90 -3.03 116.94 122.97 1dmr h PHE 230 Ca 0.19 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1dmr h PHE 230 Cb 0.28 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1dmr h PHE 230 CO 0.02 0.99 -0.69 1.19 -2.23 0.00 0.00 178.31 177.59 1dmr n PHE 231 N -4.22 0.03 -3.55 0.41 3.72 -1.16 -4.95 117.46 107.75 1dmr n PHE 231 Ca 0.04 0.01 -0.23 0.00 -0.05 0.00 0.00 57.45 57.23 1dmr n PHE 231 Cb 0.29 -0.20 0.08 0.00 -0.94 0.00 0.00 39.48 38.71 1dmr n PHE 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dmr n GLY 232 N 1.49 -0.49 3.78 1.37 0.00 -0.06 -4.91 105.19 106.36 1dmr n GLY 232 Ca 0.05 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1dmr n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmr s ALA 233 N -3.32 2.60 -0.01 4.61 0.00 -0.85 -4.97 121.76 119.82 1dmr s ALA 233 Ca 0.50 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1dmr s ALA 233 Cb -0.22 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1dmr s ALA 233 CO 0.71 -1.04 1.46 -2.00 0.00 0.00 0.00 175.76 174.90 1dmr s GLU 234 N -4.01 4.25 -0.24 0.00 2.12 -0.88 -4.87 118.70 115.07 1dmr s GLU 234 Ca 0.66 2.03 -0.03 0.00 0.36 0.00 0.00 54.97 57.99 1dmr s GLU 234 Cb -0.19 -3.66 0.02 0.00 0.26 0.00 0.00 34.13 30.56 1dmr s GLU 234 CO 0.38 -0.65 -0.05 -1.58 -0.54 0.00 0.00 175.26 172.82 1dmr s HIS 235 N 2.78 3.03 -0.19 5.30 5.65 -1.26 -1.00 115.29 129.61 1dmr s HIS 235 Ca 0.66 -1.34 -0.08 0.00 0.25 0.00 0.00 55.06 54.55 1dmr s HIS 235 Cb -0.32 -2.09 -0.04 0.00 -1.18 0.00 0.00 32.58 28.95 1dmr s HIS 235 CO 0.27 -0.67 0.07 0.42 -0.65 0.00 0.00 174.74 174.17 1dmr s ILE 236 N 1.38 4.79 -0.47 0.89 -1.09 -0.23 -5.01 121.20 121.46 1dmr s ILE 236 Ca 0.02 -0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1dmr s ILE 236 Cb -0.16 -3.17 0.12 0.00 -1.58 0.00 0.00 42.46 37.68 1dmr s ILE 236 CO -0.04 0.45 0.20 0.42 -1.23 0.00 0.00 174.94 174.74 1dmr s THR 237 N 0.49 2.60 0.47 2.92 -4.23 -1.26 -1.56 115.64 115.06 1dmr s THR 237 Ca 0.03 -2.95 -0.19 0.00 -1.18 0.00 0.00 61.69 57.41 1dmr s THR 237 Cb -0.13 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.79 1dmr s THR 237 CO 0.01 -0.74 0.96 -2.16 -0.54 0.00 0.00 174.62 172.15 1dmr s PRO 238 N 0.15 4.08 0.28 3.99 0.04 -1.26 -4.77 135.00 137.50 1dmr s PRO 238 Ca 0.15 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1dmr s PRO 238 Cb -0.23 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 1dmr s PRO 238 CO -0.03 -0.14 1.47 0.15 0.04 0.00 0.00 177.00 178.49 1dmr s LYS 239 N -3.61 4.23 0.37 4.56 1.02 -0.78 -4.45 119.74 121.08 1dmr s LYS 239 Ca 0.60 2.38 -0.27 0.00 0.02 0.00 0.00 55.97 58.71 1dmr s LYS 239 Cb -0.09 -3.08 -0.12 0.00 -0.52 0.00 0.00 37.83 34.02 1dmr s LYS 239 CO 0.22 -0.46 1.19 -2.30 -0.92 0.00 0.00 175.35 173.08 1dmr n PRO 240 N 2.04 1.82 -0.94 -1.68 -0.02 -1.26 -2.48 135.00 132.47 1dmr n PRO 240 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1dmr n PRO 240 Cb 0.40 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1dmr n PRO 240 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1dmr n GLN 241 N 0.36 0.00 -0.13 -0.52 6.02 -1.26 -4.58 117.38 117.27 1dmr n GLN 241 Ca 0.07 0.08 0.04 0.00 -0.01 0.00 0.00 57.00 57.18 1dmr n GLN 241 Cb 0.37 -2.99 0.10 0.00 1.02 0.00 0.00 30.24 28.75 1dmr n GLN 241 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1dmr n THR 242 N -2.94 1.16 -0.23 5.09 -2.24 -1.04 -4.72 114.28 109.37 1dmr n THR 242 Ca 0.00 -1.15 0.05 0.00 -2.27 0.00 0.00 64.05 60.68 1dmr n THR 242 Cb 0.00 0.39 0.30 0.00 -2.10 0.00 0.00 70.33 68.93 1dmr n THR 242 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1dmr h ASP 243 N 1.13 0.77 -0.54 3.42 5.19 -1.92 -1.50 116.42 122.97 1dmr h ASP 243 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1dmr h ASP 243 Cb 0.72 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 1dmr h ASP 243 CO 0.02 0.50 0.19 0.58 -3.12 0.00 0.00 179.24 177.41 1dmr h VAL 244 N 0.87 1.22 -0.52 -1.35 2.07 -1.93 -0.46 116.25 116.15 1dmr h VAL 244 Ca 0.34 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1dmr h VAL 244 Cb 0.21 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1dmr h VAL 244 CO -0.11 0.29 0.27 0.00 0.02 0.00 0.00 177.57 178.04 1dmr h ALA 245 N 1.36 0.67 -0.63 1.67 0.00 -1.63 -1.13 119.26 119.57 1dmr h ALA 245 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1dmr h ALA 245 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1dmr h ALA 245 CO -0.01 0.21 0.42 0.82 0.00 0.00 0.00 179.25 180.68 1dmr h ILE 246 N 0.69 1.16 -0.58 0.00 2.04 -1.10 -0.94 117.51 118.79 1dmr h ILE 246 Ca 0.18 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1dmr h ILE 246 Cb 0.08 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1dmr h ILE 246 CO -0.03 0.16 0.16 0.24 0.00 0.00 0.00 178.15 178.68 1dmr h MET 247 N 0.85 0.88 -0.49 2.37 2.86 -0.75 -1.58 114.93 119.08 1dmr h MET 247 Ca 0.23 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1dmr h MET 247 Cb -0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1dmr h MET 247 CO -0.05 0.77 -0.17 -0.07 1.06 0.00 0.00 176.91 178.45 1dmr h LEU 248 N 0.85 0.97 -1.05 1.22 3.38 -0.84 -1.14 115.31 118.70 1dmr h LEU 248 Ca 0.19 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1dmr h LEU 248 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1dmr h LEU 248 CO -0.01 1.12 0.23 1.23 0.09 0.00 0.00 178.44 181.10 1dmr h GLY 249 N 0.92 0.98 0.85 0.83 0.00 -0.75 0.88 103.07 106.77 1dmr h GLY 249 Ca 0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1dmr h GLY 249 CO 0.06 0.48 0.03 -0.33 0.00 0.00 0.00 176.54 176.78 1dmr h MET 250 N 0.89 0.37 -0.75 4.80 2.86 -1.03 -1.66 114.93 120.41 1dmr h MET 250 Ca 0.21 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1dmr h MET 250 Cb 0.20 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 1dmr h MET 250 CO -0.02 0.52 0.45 0.00 1.06 0.00 0.00 176.91 178.92 1dmr h ALA 251 N 0.84 0.95 -0.50 6.32 0.00 -0.86 -1.05 119.26 124.96 1dmr h ALA 251 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dmr h ALA 251 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dmr h ALA 251 CO 0.00 0.43 0.30 1.25 0.00 0.00 0.00 179.25 181.23 1dmr h HIS 252 N 1.02 0.67 -0.56 0.00 6.17 -0.74 -1.80 115.15 119.91 1dmr h HIS 252 Ca 0.27 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.37 1dmr h HIS 252 Cb -0.03 -0.22 -0.04 0.00 2.52 0.00 0.00 27.41 29.64 1dmr h HIS 252 CO -0.01 0.47 0.33 1.15 0.71 0.00 0.00 177.93 180.58 1dmr h THR 253 N 0.67 1.04 -0.19 6.26 2.02 -0.90 0.58 112.91 122.38 1dmr h THR 253 Ca 0.18 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1dmr h THR 253 Cb 0.00 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1dmr h THR 253 CO -0.03 0.12 0.01 -0.07 0.37 0.00 0.00 175.52 175.91 1dmr h LEU 254 N 0.65 0.25 0.04 2.58 3.38 -0.67 -1.14 115.31 120.39 1dmr h LEU 254 Ca 0.23 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1dmr h LEU 254 Cb 0.05 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1dmr h LEU 254 CO -0.11 0.29 -0.34 0.58 0.09 0.00 0.00 178.44 178.95 1dmr h VAL 255 N 0.27 1.61 -0.60 1.22 2.07 -0.63 -0.05 116.25 120.14 1dmr h VAL 255 Ca 0.07 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.36 1dmr h VAL 255 Cb 0.18 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1dmr h VAL 255 CO 0.00 0.61 0.35 0.00 0.02 0.00 0.00 177.57 178.55 1dmr h ALA 256 N 0.14 1.49 -0.37 1.67 0.00 -0.72 -1.63 119.26 119.84 1dmr h ALA 256 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dmr h ALA 256 Cb 1.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1dmr h ALA 256 CO 0.07 0.44 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1dmr n GLU 257 N -4.41 2.19 -3.83 0.00 1.02 -0.45 -4.95 120.64 110.21 1dmr n GLU 257 Ca 0.06 -1.82 -0.27 0.00 -0.02 0.00 0.00 57.16 55.12 1dmr n GLU 257 Cb 0.08 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1dmr n GLU 257 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1dmr n ASP 258 N 1.01 -3.32 -0.03 1.62 2.03 -0.61 -4.90 116.55 112.34 1dmr n ASP 258 Ca 0.18 -0.80 0.04 0.00 0.52 0.00 0.00 54.79 54.74 1dmr n ASP 258 Cb 0.47 -3.95 -0.15 0.00 -0.72 0.00 0.00 41.12 36.77 1dmr n ASP 258 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1dmr n LEU 259 N -4.53 0.00 -4.70 -2.67 4.77 -0.05 -5.03 117.00 104.79 1dmr n LEU 259 Ca -0.10 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.57 1dmr n LEU 259 Cb 0.59 0.14 0.14 0.00 -2.33 0.00 0.00 43.42 41.96 1dmr n LEU 259 CO 0.73 0.14 0.68 -0.72 -1.33 0.00 0.00 177.39 176.89 1dmr s TYR 260 N -3.13 1.97 -0.90 -1.77 1.13 -1.12 -4.90 117.35 108.62 1dmr s TYR 260 Ca -0.08 1.68 -0.24 0.00 -1.41 0.00 0.00 57.07 57.02 1dmr s TYR 260 Cb 0.11 -3.23 0.05 0.00 -1.10 0.00 0.00 41.96 37.79 1dmr s TYR 260 CO 0.82 -2.47 1.35 0.34 -2.51 0.00 0.00 175.55 173.08 1dmr s ASP 261 N -2.94 6.37 0.36 -0.18 -1.08 -0.23 -4.85 116.67 114.11 1dmr s ASP 261 Ca 0.65 -1.09 0.10 0.00 -0.52 0.00 0.00 52.55 51.68 1dmr s ASP 261 Cb -0.21 -2.55 0.70 0.00 -1.46 0.00 0.00 42.92 39.40 1dmr s ASP 261 CO 0.57 -1.61 1.85 0.11 0.52 0.00 0.00 175.17 176.62 1dmr h LYS 262 N 9.83 0.18 -0.29 4.34 1.57 -1.90 -2.37 116.57 127.92 1dmr h LYS 262 Ca 0.00 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1dmr h LYS 262 Cb 1.03 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1dmr h LYS 262 CO 1.35 0.42 -0.30 -0.44 -0.57 0.00 0.00 179.45 179.91 1dmr h ASP 263 N 0.16 0.77 -0.23 0.86 3.32 -1.99 -0.81 116.42 118.50 1dmr h ASP 263 Ca 0.03 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 1dmr h ASP 263 Cb 0.54 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1dmr h ASP 263 CO 0.04 1.08 0.12 0.15 -1.72 0.00 0.00 179.24 178.91 1dmr h PHE 264 N 0.47 0.33 -0.52 4.55 3.04 -1.87 -1.99 116.94 120.95 1dmr h PHE 264 Ca 0.05 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.02 1dmr h PHE 264 Cb 0.87 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.24 1dmr h PHE 264 CO 0.07 0.30 0.28 0.82 -2.02 0.00 0.00 178.31 177.77 1dmr h ILE 265 N 0.26 0.99 -0.60 1.41 1.08 -1.38 -0.77 117.51 118.49 1dmr h ILE 265 Ca 0.08 -0.19 -0.08 0.00 -0.39 0.00 0.00 64.86 64.28 1dmr h ILE 265 Cb 0.09 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1dmr h ILE 265 CO -0.01 0.10 0.07 0.00 -0.69 0.00 0.00 178.15 177.62 1dmr h ALA 266 N 1.26 0.99 0.00 1.87 0.00 -0.93 -2.93 119.26 119.52 1dmr h ALA 266 Ca 0.22 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1dmr h ALA 266 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1dmr h ALA 266 CO -0.14 0.63 -1.71 0.09 0.00 0.00 0.00 179.25 178.13 1dmr n ASN 267 N -4.21 0.33 0.00 0.00 3.02 -0.77 -4.62 115.26 109.01 1dmr n ASN 267 Ca 0.04 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1dmr n ASN 267 Cb 0.29 1.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 1dmr n ASN 267 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1dmr n TYR 268 N -2.50 0.00 -4.37 3.10 4.01 -0.31 -5.02 117.16 112.07 1dmr n TYR 268 Ca -0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.48 1dmr n TYR 268 Cb 0.66 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.59 1dmr n TYR 268 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1dmr s THR 269 N -0.18 1.42 -0.03 -0.72 -4.23 -1.11 -1.34 115.64 109.46 1dmr s THR 269 Ca 0.00 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1dmr s THR 269 Cb 0.00 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1dmr s THR 269 CO 0.00 -0.38 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.05 1dmr s SER 270 N -3.36 1.33 0.00 3.99 0.15 0.84 -4.81 113.70 111.84 1dmr s SER 270 Ca 0.27 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1dmr s SER 270 Cb 0.04 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 1dmr s SER 270 CO 0.09 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1dmr n GLY 271 N 3.29 0.79 0.29 9.45 0.00 -1.26 -0.72 105.19 117.03 1dmr n GLY 271 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1dmr n GLY 271 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dmr h PHE 272 N 0.00 0.63 0.00 1.61 3.57 -1.93 -1.48 116.94 119.34 1dmr h PHE 272 Ca 0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1dmr h PHE 272 Cb 0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1dmr h PHE 272 CO 0.00 0.53 -0.06 0.38 -2.23 0.00 0.00 178.31 176.93 1dmr h ASP 273 N 0.62 0.00 0.99 0.41 2.03 -2.00 -0.70 116.42 117.76 1dmr h ASP 273 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1dmr h ASP 273 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1dmr h ASP 273 CO -0.01 0.06 -0.64 0.11 -1.03 0.00 0.00 179.24 177.73 1dmr h LYS 274 N 0.00 0.00 0.03 4.15 1.57 -1.69 -3.35 116.57 117.28 1dmr h LYS 274 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1dmr h LYS 274 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1dmr h LYS 274 CO 0.01 0.00 -1.66 0.35 -0.57 0.00 0.00 179.45 177.58 1dmr h PHE 275 N 0.00 0.10 -0.46 -1.35 3.57 -0.97 -3.40 116.94 114.43 1dmr h PHE 275 Ca 0.00 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.51 1dmr h PHE 275 Cb 0.82 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 1dmr h PHE 275 CO 0.00 1.14 0.06 1.25 -2.23 0.00 0.00 178.31 178.52 1dmr h LEU 276 N 0.02 -0.07 -1.42 0.59 5.85 -1.34 -1.82 115.31 117.11 1dmr h LEU 276 Ca -0.27 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1dmr h LEU 276 Cb 1.99 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 43.12 1dmr h LEU 276 CO 0.09 -0.00 0.45 -0.65 -0.34 0.00 0.00 178.44 177.99 1dmr h PRO 277 N 0.18 0.68 -0.14 5.25 0.11 -1.77 -0.44 132.00 135.87 1dmr h PRO 277 Ca 0.23 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1dmr h PRO 277 Cb 0.32 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 1dmr h PRO 277 CO -0.33 0.45 -0.10 -0.92 -0.21 0.00 0.00 178.00 176.88 1dmr h TYR 278 N 0.70 0.37 -0.99 0.65 3.20 -1.58 0.98 116.97 120.29 1dmr h TYR 278 Ca 0.30 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1dmr h TYR 278 Cb 0.28 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 1dmr h TYR 278 CO -0.00 0.68 0.65 1.25 -1.64 0.00 0.00 178.16 179.09 1dmr h LEU 279 N -0.05 1.15 -0.11 2.82 5.85 -0.68 -2.26 115.31 122.02 1dmr h LEU 279 Ca 0.03 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1dmr h LEU 279 Cb 0.60 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1dmr h LEU 279 CO 0.03 0.84 -0.09 0.47 -0.34 0.00 0.00 178.44 179.34 1dmr n ASP 280 N -4.38 0.27 -0.01 1.25 8.00 -0.24 -1.77 116.55 119.68 1dmr n ASP 280 Ca 0.12 -0.27 -0.00 0.00 0.71 0.00 0.00 54.79 55.34 1dmr n ASP 280 Cb 0.02 -0.17 -0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1dmr n ASP 280 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmr n GLY 281 N 1.33 0.38 0.14 0.44 0.00 -0.85 -4.12 105.19 102.52 1dmr n GLY 281 Ca 0.13 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 1dmr n GLY 281 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dmr h GLU 282 N 0.00 0.07 0.00 1.61 5.08 -1.08 -0.98 114.58 119.29 1dmr h GLU 282 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1dmr h GLU 282 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1dmr h GLU 282 CO 0.00 0.67 -0.79 1.79 -1.00 0.00 0.00 179.01 179.68 1dmr h THR 283 N 0.05 0.13 0.00 1.13 1.35 -1.87 -3.40 112.91 110.30 1dmr h THR 283 Ca -0.01 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1dmr h THR 283 Cb 1.11 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1dmr h THR 283 CO 0.09 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 174.53 1dmr n ASP 284 N -2.84 0.11 -1.28 5.36 5.68 -1.24 -5.01 116.55 117.33 1dmr n ASP 284 Ca -0.00 -1.06 -0.16 0.00 -0.50 0.00 0.00 54.79 53.07 1dmr n ASP 284 Cb 0.60 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 1dmr n ASP 284 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1dmr n SER 285 N -0.03 -4.89 -3.58 -1.12 7.64 -0.38 -4.94 113.62 106.32 1dmr n SER 285 Ca 0.00 0.35 -0.29 0.00 1.01 0.00 0.00 58.87 59.94 1dmr n SER 285 Cb 0.47 -3.82 -0.12 0.00 -1.01 0.00 0.00 64.21 59.73 1dmr n SER 285 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1dmr s THR 286 N -2.61 0.94 0.17 0.44 2.01 -1.22 -5.03 115.64 110.33 1dmr s THR 286 Ca 0.00 -2.54 -0.34 0.00 0.31 0.00 0.00 61.69 59.12 1dmr s THR 286 Cb 0.00 -1.65 -0.14 0.00 0.01 0.00 0.00 72.50 70.72 1dmr s THR 286 CO 0.00 -1.03 1.51 -2.65 -0.69 0.00 0.00 174.62 171.76 1dmr n PRO 287 N 3.32 1.99 -1.69 4.92 -0.02 -1.26 -4.18 135.00 138.09 1dmr n PRO 287 Ca 0.17 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 1dmr n PRO 287 Cb 0.39 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1dmr n PRO 287 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1dmr n LYS 288 N 3.01 4.06 -1.35 -0.52 4.76 -0.73 -4.80 118.16 122.59 1dmr n LYS 288 Ca 0.16 -2.86 -0.29 0.00 -2.87 0.00 0.00 58.31 52.45 1dmr n LYS 288 Cb 0.28 -2.63 0.15 0.00 -1.84 0.00 0.00 35.03 30.99 1dmr n LYS 288 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1dmr s THR 289 N 0.00 2.13 0.36 -0.18 -4.23 -1.26 -3.61 115.64 108.86 1dmr s THR 289 Ca 0.60 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1dmr s THR 289 Cb 0.20 -2.66 0.25 0.00 1.34 0.00 0.00 72.50 71.63 1dmr s THR 289 CO -0.09 -0.06 2.00 0.00 -0.54 0.00 0.00 174.62 175.93 1dmr h ALA 290 N -1.67 1.55 -0.59 3.99 0.00 -1.91 -0.91 119.26 119.72 1dmr h ALA 290 Ca -0.52 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1dmr h ALA 290 Cb 1.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1dmr h ALA 290 CO 0.59 0.39 -0.01 0.93 0.00 0.00 0.00 179.25 181.15 1dmr h GLU 291 N 0.75 1.05 -0.44 0.00 3.07 -1.92 -0.24 114.58 116.84 1dmr h GLU 291 Ca 0.20 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 1dmr h GLU 291 Cb -0.02 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1dmr h GLU 291 CO -0.04 1.03 0.24 2.35 -1.40 0.00 0.00 179.01 181.19 1dmr h TRP 292 N 0.94 0.61 -0.34 4.33 7.01 -1.71 -2.48 115.95 124.30 1dmr h TRP 292 Ca 0.16 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 1dmr h TRP 292 Cb 0.57 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 1dmr h TRP 292 CO 0.04 0.46 0.03 0.00 -2.79 0.00 0.00 178.44 176.19 1dmr h ALA 293 N 1.09 1.41 -0.62 2.65 0.00 -0.87 -2.15 119.26 120.77 1dmr h ALA 293 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1dmr h ALA 293 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1dmr h ALA 293 CO -0.02 0.42 0.23 1.49 0.00 0.00 0.00 179.25 181.37 1dmr h GLU 294 N 0.50 0.94 -0.45 0.00 4.81 -0.80 0.44 114.58 120.03 1dmr h GLU 294 Ca 0.11 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1dmr h GLU 294 Cb 0.28 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1dmr h GLU 294 CO 0.01 0.81 0.30 0.78 -0.73 0.00 0.00 179.01 180.18 1dmr h GLY 295 N 0.88 0.58 0.32 1.92 0.00 -0.93 0.11 103.07 105.94 1dmr h GLY 295 Ca 0.21 -0.20 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1dmr h GLY 295 CO -0.01 0.18 -1.31 -2.22 0.00 0.00 0.00 176.54 173.18 1dmr h ILE 296 N 0.52 1.00 0.00 2.60 2.04 -1.36 -3.41 117.51 118.90 1dmr h ILE 296 Ca 0.18 -2.31 -0.11 0.00 1.00 0.00 0.00 64.86 63.62 1dmr h ILE 296 Cb 0.08 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1dmr h ILE 296 CO -0.04 0.59 -1.22 0.77 0.00 0.00 0.00 178.15 178.24 1dmr h SER 297 N -0.56 0.00 0.00 1.72 4.64 -0.89 -3.46 113.55 115.01 1dmr h SER 297 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1dmr h SER 297 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1dmr h SER 297 CO -0.04 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1dmr n GLY 298 N 1.31 1.60 3.72 -0.77 0.00 0.36 -1.87 105.19 109.55 1dmr n GLY 298 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1dmr n GLY 298 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dmr s VAL 299 N -2.95 4.97 0.22 1.61 1.01 -1.26 -4.99 120.40 119.01 1dmr s VAL 299 Ca 0.00 1.62 -0.32 0.00 0.00 0.00 0.00 61.98 63.29 1dmr s VAL 299 Cb 0.00 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1dmr s VAL 299 CO 0.00 0.24 1.43 -2.65 0.00 0.00 0.00 175.10 174.12 1dmr n PRO 300 N 3.71 2.01 -0.28 2.72 -0.02 -1.26 -4.14 135.00 137.75 1dmr n PRO 300 Ca 0.01 0.72 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1dmr n PRO 300 Cb 0.51 -2.39 0.24 0.00 -0.02 0.00 0.00 33.50 31.84 1dmr n PRO 300 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dmr h ALA 301 N 4.50 1.22 -0.02 3.55 0.00 -1.93 -0.54 119.26 126.04 1dmr h ALA 301 Ca -0.45 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1dmr h ALA 301 Cb 1.27 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1dmr h ALA 301 CO 0.78 -0.26 -0.34 0.93 0.00 0.00 0.00 179.25 180.36 1dmr h GLU 302 N 0.43 0.03 -0.31 0.00 4.39 -1.92 -1.04 114.58 116.17 1dmr h GLU 302 Ca 0.48 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.05 1dmr h GLU 302 Cb 0.81 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1dmr h GLU 302 CO -0.46 0.37 -0.29 1.15 -1.16 0.00 0.00 179.01 178.62 1dmr h THR 303 N 0.03 1.30 -0.15 1.13 2.02 -1.50 -0.77 112.91 114.96 1dmr h THR 303 Ca 0.00 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.75 1dmr h THR 303 Cb 0.61 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1dmr h THR 303 CO 0.04 0.47 0.04 0.40 0.37 0.00 0.00 175.52 176.84 1dmr h ILE 304 N 0.49 0.95 -0.56 3.11 2.04 -0.93 -1.23 117.51 121.38 1dmr h ILE 304 Ca 0.05 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1dmr h ILE 304 Cb 0.86 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1dmr h ILE 304 CO 0.07 0.02 0.31 0.11 0.00 0.00 0.00 178.15 178.66 1dmr h LYS 305 N 0.10 0.78 -0.50 2.37 1.57 -1.12 -2.29 116.57 117.48 1dmr h LYS 305 Ca 0.06 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1dmr h LYS 305 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1dmr h LYS 305 CO -0.08 0.60 0.05 0.93 -0.57 0.00 0.00 179.45 180.38 1dmr h GLU 306 N 0.75 0.80 -0.47 3.15 5.08 -0.88 -1.99 114.58 121.03 1dmr h GLU 306 Ca 0.20 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1dmr h GLU 306 Cb 0.05 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1dmr h GLU 306 CO -0.03 0.78 0.12 -0.07 -1.00 0.00 0.00 179.01 178.81 1dmr h LEU 307 N 0.76 0.70 -0.13 1.33 4.07 -1.11 -1.28 115.31 119.64 1dmr h LEU 307 Ca 0.15 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.91 1dmr h LEU 307 Cb 0.39 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 1dmr h LEU 307 CO 0.01 0.74 -0.02 0.00 -1.08 0.00 0.00 178.44 178.10 1dmr h ALA 308 N 0.98 0.10 -0.89 1.53 0.00 -1.06 -0.51 119.26 119.41 1dmr h ALA 308 Ca 0.15 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1dmr h ALA 308 Cb 0.31 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1dmr h ALA 308 CO 0.00 -0.47 0.59 0.00 0.00 0.00 0.00 179.25 179.37 1dmr h ARG 309 N 0.02 1.16 -0.36 0.00 3.08 -1.27 -2.39 114.38 114.61 1dmr h ARG 309 Ca 0.06 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1dmr h ARG 309 Cb 0.08 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1dmr h ARG 309 CO -0.12 0.77 0.07 1.25 -1.07 0.00 0.00 179.97 180.88 1dmr h LEU 310 N 1.20 0.56 -1.42 3.04 5.85 -0.76 -2.37 115.31 121.42 1dmr h LEU 310 Ca 0.33 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1dmr h LEU 310 Cb -0.13 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1dmr h LEU 310 CO -0.07 0.66 0.33 -0.26 -0.34 0.00 0.00 178.44 178.76 1dmr h PHE 311 N 0.44 0.69 0.00 1.25 0.04 -0.91 -2.44 116.94 116.01 1dmr h PHE 311 Ca 0.11 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.76 1dmr h PHE 311 Cb 0.33 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1dmr h PHE 311 CO 0.02 0.46 -0.63 1.49 -0.60 0.00 0.00 178.31 179.06 1dmr h GLU 312 N 0.74 0.00 -0.01 1.51 4.57 -1.23 -3.31 114.58 116.85 1dmr h GLU 312 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1dmr h GLU 312 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1dmr h GLU 312 CO -0.04 0.63 -0.53 -1.13 -1.18 0.00 0.00 179.01 176.76 1dmr n SER 313 N -3.59 1.40 -4.34 1.04 3.41 -0.91 -4.96 113.62 105.67 1dmr n SER 313 Ca -0.00 -1.11 -0.18 0.00 -0.26 0.00 0.00 58.87 57.31 1dmr n SER 313 Cb 0.67 0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 64.98 1dmr n SER 313 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1dmr s LYS 314 N -2.65 1.31 -0.40 4.33 -0.14 -0.98 -5.08 119.74 116.13 1dmr s LYS 314 Ca 0.17 -1.56 -0.28 0.00 -1.36 0.00 0.00 55.97 52.94 1dmr s LYS 314 Cb 0.18 -1.11 -0.00 0.00 -1.68 0.00 0.00 37.83 35.21 1dmr s LYS 314 CO 0.63 0.19 1.60 0.50 -0.76 0.00 0.00 175.35 177.51 1dmr s ARG 315 N -3.56 3.39 -0.09 1.68 6.06 -1.26 -4.83 118.95 120.34 1dmr s ARG 315 Ca 0.21 1.08 0.03 0.00 -2.50 0.00 0.00 55.73 54.55 1dmr s ARG 315 Cb -0.01 -4.13 -0.02 0.00 0.06 0.00 0.00 34.95 30.86 1dmr s ARG 315 CO 0.06 -1.79 -0.17 0.99 -2.50 0.00 0.00 175.30 171.89 1dmr s THR 316 N 6.31 2.74 -0.20 4.11 2.01 -1.26 -1.05 115.64 128.30 1dmr s THR 316 Ca 0.68 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1dmr s THR 316 Cb -0.17 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1dmr s THR 316 CO 0.32 0.56 -0.04 -0.32 -0.69 0.00 0.00 174.62 174.45 1dmr s MET 317 N -0.09 3.47 -0.60 4.92 1.75 -0.69 -2.35 119.30 125.71 1dmr s MET 317 Ca -0.03 -0.59 -0.18 0.00 -1.25 0.00 0.00 55.69 53.64 1dmr s MET 317 Cb -0.14 -3.00 0.12 0.00 2.84 0.00 0.00 34.83 34.66 1dmr s MET 317 CO 0.04 -0.08 0.66 -0.51 -0.65 0.00 0.00 175.02 174.48 1dmr s LEU 318 N 1.18 5.74 -0.47 4.11 1.43 -0.68 -1.20 118.68 128.79 1dmr s LEU 318 Ca 0.02 -1.66 -0.18 0.00 -1.03 0.00 0.00 54.13 51.28 1dmr s LEU 318 Cb -0.14 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.85 1dmr s LEU 318 CO -0.00 -0.99 0.55 0.00 0.23 0.00 0.00 176.35 176.13 1dmr s ALA 319 N 2.15 3.42 -0.04 4.21 0.00 0.41 -1.33 121.76 130.58 1dmr s ALA 319 Ca 0.10 -1.69 -0.00 0.00 0.00 0.00 0.00 51.96 50.37 1dmr s ALA 319 Cb -0.25 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1dmr s ALA 319 CO 0.04 -1.85 0.01 0.00 0.00 0.00 0.00 175.76 173.96 1dmr s ALA 320 N 2.39 3.31 0.32 0.00 0.00 -0.68 -0.30 121.76 126.79 1dmr s ALA 320 Ca 0.14 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1dmr s ALA 320 Cb -0.19 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.53 1dmr s ALA 320 CO 0.12 0.62 0.16 0.41 0.00 0.00 0.00 175.76 177.08 1dmr n GLY 321 N 1.74 1.19 0.36 0.00 0.00 -0.14 -4.49 105.19 103.85 1dmr n GLY 321 Ca -0.16 -2.03 0.05 0.00 0.00 0.00 0.00 46.02 43.87 1dmr n GLY 321 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dmr n TRP 322 N -1.48 0.00 -0.29 1.61 8.01 -1.25 -4.58 117.44 119.45 1dmr n TRP 322 Ca 0.03 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.18 1dmr n TRP 322 Cb 0.10 0.00 0.11 0.00 -2.01 0.00 0.00 31.31 29.51 1dmr n TRP 322 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1dmr h SER 323 N 1.78 1.07 0.49 -0.99 4.64 -1.90 -2.66 113.55 115.98 1dmr h SER 323 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1dmr h SER 323 Cb 0.42 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1dmr h SER 323 CO 0.00 0.89 0.00 1.15 -0.87 0.00 0.00 176.83 178.00 1dmr n MET 324 N -4.32 0.04 0.00 4.77 0.00 -1.26 -1.39 117.12 114.97 1dmr n MET 324 Ca 0.08 0.31 0.09 0.00 0.00 0.00 0.00 57.70 58.19 1dmr n MET 324 Cb 0.13 -1.58 0.07 0.00 0.00 0.00 0.00 33.22 31.83 1dmr n MET 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1dmr n GLN 325 N -1.66 1.57 -1.61 3.17 -0.00 -1.02 -4.55 117.38 113.28 1dmr n GLN 325 Ca 0.03 -1.49 -0.31 0.00 -0.00 0.00 0.00 57.00 55.23 1dmr n GLN 325 Cb 0.16 -1.35 -0.02 0.00 -0.00 0.00 0.00 30.24 29.03 1dmr n GLN 325 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1dmr n ARG 326 N 0.87 2.50 -3.74 2.61 0.63 -0.48 -4.33 116.66 114.72 1dmr n ARG 326 Ca 0.10 -2.72 -0.09 0.00 -0.92 0.00 0.00 57.85 54.22 1dmr n ARG 326 Cb 0.45 -2.17 -0.03 0.00 0.45 0.00 0.00 32.46 31.15 1dmr n ARG 326 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1dmr s MET 327 N -2.51 1.43 0.28 -0.14 -1.94 -1.23 -1.06 119.30 114.13 1dmr s MET 327 Ca 0.56 -0.86 -0.30 0.00 -1.71 0.00 0.00 55.69 53.37 1dmr s MET 327 Cb 0.40 0.53 -0.12 0.00 2.01 0.00 0.00 34.83 37.66 1dmr s MET 327 CO -0.28 -0.61 1.56 1.58 -0.01 0.00 0.00 175.02 177.26 1dmr n HIS 328 N -0.36 2.71 -2.80 -0.03 -0.00 -1.26 -0.77 115.22 112.72 1dmr n HIS 328 Ca -0.10 0.28 -0.21 0.00 0.46 0.00 0.00 57.72 58.16 1dmr n HIS 328 Cb 0.62 -2.57 0.02 0.00 -0.12 0.00 0.00 29.99 27.94 1dmr n HIS 328 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1dmr n HIS 329 N 2.15 -1.58 0.32 1.57 8.25 -0.01 -4.89 115.22 121.03 1dmr n HIS 329 Ca 0.09 0.35 0.20 0.00 -0.26 0.00 0.00 57.72 58.10 1dmr n HIS 329 Cb 0.36 -4.14 1.07 0.00 1.12 0.00 0.00 29.99 28.39 1dmr n HIS 329 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1dmr h GLY 330 N -0.93 0.00 1.35 -1.41 0.00 -1.14 -2.22 103.07 98.72 1dmr h GLY 330 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1dmr h GLY 330 CO 0.54 0.00 0.34 0.83 0.00 0.00 0.00 176.54 178.25 1dmr h GLU 331 N 0.00 0.52 -0.11 4.80 3.07 -1.85 -2.71 114.58 118.30 1dmr h GLU 331 Ca -0.00 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.74 1dmr h GLU 331 Cb 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1dmr h GLU 331 CO 0.00 0.35 -0.31 1.96 -1.40 0.00 0.00 179.01 179.61 1dmr h GLN 332 N 0.54 0.22 0.27 2.33 1.08 -1.76 -3.20 115.11 114.58 1dmr h GLN 332 Ca 0.21 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1dmr h GLN 332 Cb 0.16 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1dmr h GLN 332 CO -0.06 0.51 -0.24 0.00 -0.95 0.00 0.00 178.83 178.09 1dmr h ALA 333 N 1.49 -0.51 0.00 3.87 0.00 -1.66 -0.36 119.26 122.09 1dmr h ALA 333 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1dmr h ALA 333 Cb 0.65 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1dmr h ALA 333 CO 0.05 -0.82 -0.29 0.45 0.00 0.00 0.00 179.25 178.64 1dmr h HIS 334 N -0.53 0.00 -0.22 0.00 3.86 -1.75 -2.01 115.15 114.51 1dmr h HIS 334 Ca -0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1dmr h HIS 334 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1dmr h HIS 334 CO -0.15 0.18 0.02 2.35 0.86 0.00 0.00 177.93 181.19 1dmr h TRP 335 N 0.00 0.41 -0.18 2.45 2.91 -1.52 -1.48 115.95 118.54 1dmr h TRP 335 Ca -0.01 -0.06 -0.10 0.00 1.13 0.00 0.00 58.89 59.85 1dmr h TRP 335 Cb 1.15 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 1dmr h TRP 335 CO 0.00 0.53 -0.33 1.98 -1.03 0.00 0.00 178.44 179.59 1dmr h MET 336 N 0.16 0.36 -0.64 2.65 4.05 -1.03 -1.94 114.93 118.54 1dmr h MET 336 Ca 0.07 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1dmr h MET 336 Cb 0.36 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1dmr h MET 336 CO 0.01 0.65 0.32 1.25 0.23 0.00 0.00 176.91 179.37 1dmr h LEU 337 N 0.31 0.82 -0.93 3.39 5.85 -1.10 0.16 115.31 123.80 1dmr h LEU 337 Ca 0.04 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1dmr h LEU 337 Cb 0.74 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1dmr h LEU 337 CO 0.06 0.71 -0.31 0.58 -0.34 0.00 0.00 178.44 179.13 1dmr h VAL 338 N 0.87 1.28 -0.22 1.05 2.07 -1.11 0.29 116.25 120.48 1dmr h VAL 338 Ca 0.22 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1dmr h VAL 338 Cb 0.09 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1dmr h VAL 338 CO -0.03 0.42 0.05 0.74 0.02 0.00 0.00 177.57 178.77 1dmr h THR 339 N 0.35 1.21 -0.52 2.57 2.02 -0.84 0.46 112.91 118.16 1dmr h THR 339 Ca 0.04 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1dmr h THR 339 Cb 0.73 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1dmr h THR 339 CO 0.06 0.22 0.23 0.25 0.37 0.00 0.00 175.52 176.65 1dmr h LEU 340 N 0.17 0.70 -1.33 2.58 5.85 -0.43 -1.98 115.31 120.86 1dmr h LEU 340 Ca 0.07 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1dmr h LEU 340 Cb 0.29 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1dmr h LEU 340 CO 0.00 0.65 0.47 0.00 -0.34 0.00 0.00 178.44 179.22 1dmr h ALA 341 N 1.08 1.58 -0.67 1.25 0.00 -0.74 -1.47 119.26 120.29 1dmr h ALA 341 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1dmr h ALA 341 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1dmr h ALA 341 CO -0.02 0.35 0.10 0.77 0.00 0.00 0.00 179.25 180.45 1dmr h SER 342 N 0.88 1.06 -0.00 0.00 0.02 -0.40 -2.48 113.55 112.62 1dmr h SER 342 Ca 0.28 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1dmr h SER 342 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1dmr h SER 342 CO -0.08 1.06 -0.13 0.24 -1.14 0.00 0.00 176.83 176.78 1dmr h MET 343 N 1.03 0.28 0.00 3.45 2.07 -0.56 -2.46 114.93 118.74 1dmr h MET 343 Ca 0.20 -0.07 -0.11 0.00 -2.07 0.00 0.00 59.70 57.66 1dmr h MET 343 Cb 0.45 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.13 1dmr h MET 343 CO 0.01 0.42 -0.51 -0.07 1.07 0.00 0.00 176.91 177.83 1dmr h LEU 344 N 0.27 0.00 0.10 1.22 3.38 -1.01 -0.60 115.31 118.67 1dmr h LEU 344 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1dmr h LEU 344 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1dmr h LEU 344 CO 0.02 0.51 -0.04 0.61 0.09 0.00 0.00 178.44 179.64 1dmr n GLY 345 N 0.30 0.56 0.80 0.83 0.00 -0.93 -4.68 105.19 102.07 1dmr n GLY 345 Ca -0.01 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.22 1dmr n GLY 345 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dmr n GLN 346 N -2.89 2.09 -1.71 1.61 6.02 -1.26 -4.96 117.38 116.28 1dmr n GLN 346 Ca -0.02 -1.91 -0.43 0.00 -0.01 0.00 0.00 57.00 54.63 1dmr n GLN 346 Cb 0.08 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 1dmr n GLN 346 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1dmr n ILE 347 N 0.95 0.10 -0.17 5.09 5.41 -1.26 -1.46 119.36 128.02 1dmr n ILE 347 Ca 0.13 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1dmr n ILE 347 Cb 0.46 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 1dmr n ILE 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dmr n GLY 348 N 3.99 0.89 3.86 7.39 0.00 -1.25 -4.81 105.19 115.26 1dmr n GLY 348 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1dmr n GLY 348 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dmr s LEU 349 N 0.00 4.27 -0.04 0.99 1.43 -0.53 -4.11 118.68 120.69 1dmr s LEU 349 Ca 0.00 0.96 -0.33 0.00 -1.03 0.00 0.00 54.13 53.72 1dmr s LEU 349 Cb 0.00 -3.38 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 1dmr s LEU 349 CO 0.00 0.05 1.89 -2.65 0.23 0.00 0.00 176.35 175.87 1dmr n PRO 350 N 0.45 2.35 -1.00 1.29 -0.02 -1.26 -1.54 135.00 135.26 1dmr n PRO 350 Ca -0.03 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1dmr n PRO 350 Cb 0.52 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1dmr n PRO 350 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dmr n GLY 351 N 4.40 0.87 3.72 -1.23 0.00 -1.26 -4.69 105.19 107.00 1dmr n GLY 351 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1dmr n GLY 351 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dmr s GLY 352 N -2.00 2.54 0.00 -0.02 0.00 -0.59 -3.90 107.32 103.34 1dmr s GLY 352 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.98 1dmr s GLY 352 CO 0.00 -2.03 0.00 0.61 0.00 0.00 0.00 173.10 171.68 1dmr n GLY 353 N -1.21 0.89 3.26 0.20 0.00 -0.99 -4.47 105.19 102.87 1dmr n GLY 353 Ca -0.06 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1dmr n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dmr s PHE 354 N 0.00 0.35 -0.16 1.61 -0.71 -1.26 -1.68 117.98 116.12 1dmr s PHE 354 Ca 0.00 -0.75 -0.10 0.00 -1.04 0.00 0.00 56.93 55.05 1dmr s PHE 354 Cb 0.00 -0.11 0.06 0.00 -1.21 0.00 0.00 43.02 41.76 1dmr s PHE 354 CO 0.00 -0.62 0.40 0.20 -1.34 0.00 0.00 175.22 173.86 1dmr s GLY 355 N -2.93 -0.31 -0.07 1.99 0.00 -0.44 -4.88 107.32 100.67 1dmr s GLY 355 Ca 0.13 1.45 0.15 0.00 0.00 0.00 0.00 44.72 46.46 1dmr s GLY 355 CO -0.04 1.57 1.43 1.04 0.00 0.00 0.00 173.10 177.10 1dmr n LEU 356 N 4.08 3.77 -1.52 0.66 4.77 -1.26 -1.69 117.00 125.81 1dmr n LEU 356 Ca -0.22 -2.33 0.04 0.00 -0.03 0.00 0.00 56.01 53.47 1dmr n LEU 356 Cb 0.55 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1dmr n LEU 356 CO 0.09 0.78 0.06 -0.24 -1.33 0.00 0.00 177.39 176.75 1dmr n SER 357 N 0.63 1.01 0.17 -1.43 2.88 -1.26 -4.84 113.62 110.77 1dmr n SER 357 Ca 0.19 -2.00 0.13 0.00 -1.33 0.00 0.00 58.87 55.86 1dmr n SER 357 Cb 0.67 -0.30 0.42 0.00 -0.75 0.00 0.00 64.21 64.25 1dmr n SER 357 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1dmr h TYR 358 N 1.03 0.00 -0.03 0.66 0.05 -1.81 -2.96 116.97 113.91 1dmr h TYR 358 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1dmr h TYR 358 Cb 1.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.63 1dmr h TYR 358 CO 0.18 0.00 -0.07 -2.39 -1.05 0.00 0.00 178.16 174.84 1dmr n HIS 359 N -2.62 0.00 -4.54 4.88 1.44 -1.26 -4.66 115.22 108.46 1dmr n HIS 359 Ca 0.03 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.49 1dmr n HIS 359 Cb 0.38 -0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.33 1dmr n HIS 359 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1dmr s TYR 360 N -2.07 1.57 -1.63 -1.40 5.04 -1.12 -3.82 117.35 113.92 1dmr s TYR 360 Ca 0.27 -0.63 -0.18 0.00 -2.44 0.00 0.00 57.07 54.10 1dmr s TYR 360 Cb 0.20 -1.16 0.16 0.00 0.35 0.00 0.00 41.96 41.51 1dmr s TYR 360 CO 0.34 -0.33 0.71 0.43 -1.34 0.00 0.00 175.55 175.36 1dmr n SER 361 N 3.95 -3.13 -0.62 4.32 7.64 -1.26 -2.16 113.62 122.37 1dmr n SER 361 Ca -0.21 -0.92 -0.07 0.00 1.01 0.00 0.00 58.87 58.68 1dmr n SER 361 Cb 0.52 -2.58 -0.02 0.00 -1.01 0.00 0.00 64.21 61.11 1dmr n SER 361 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dmr n GLY 362 N -1.28 0.70 3.67 0.23 0.00 -1.26 -4.25 105.19 102.99 1dmr n GLY 362 Ca 0.07 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 1dmr n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmr n GLY 363 N -1.81 0.95 0.00 -0.02 0.00 -0.92 -0.87 105.19 102.52 1dmr n GLY 363 Ca -0.08 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1dmr n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmr n GLY 364 N 2.78 3.01 3.69 -0.02 0.00 -1.26 -4.51 105.19 108.89 1dmr n GLY 364 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1dmr n GLY 364 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dmr s THR 365 N -2.76 3.64 0.05 2.61 2.01 -0.05 -1.12 115.64 120.02 1dmr s THR 365 Ca 0.00 1.07 -0.37 0.00 0.31 0.00 0.00 61.69 62.70 1dmr s THR 365 Cb 0.00 -3.69 -0.17 0.00 0.01 0.00 0.00 72.50 68.65 1dmr s THR 365 CO 0.00 0.02 1.36 -2.65 -0.69 0.00 0.00 174.62 172.65 1dmr n PRO 366 N 5.07 1.06 -2.66 4.92 -0.02 -1.26 -4.19 135.00 137.92 1dmr n PRO 366 Ca 0.13 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 1dmr n PRO 366 Cb 0.43 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1dmr n PRO 366 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1dmr s SER 367 N 0.73 6.88 0.80 2.55 0.01 -1.26 -4.60 113.70 118.81 1dmr s SER 367 Ca 0.86 1.90 -0.04 0.00 1.31 0.00 0.00 55.95 59.97 1dmr s SER 367 Cb -0.99 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 62.83 1dmr s SER 367 CO 0.49 -0.40 1.04 0.35 0.41 0.00 0.00 173.24 175.13 1dmr n THR 368 N -0.18 0.00 -0.58 1.44 -2.24 -0.44 -3.97 114.28 108.31 1dmr n THR 368 Ca 0.05 -1.35 0.10 0.00 -2.27 0.00 0.00 64.05 60.58 1dmr n THR 368 Cb 0.51 -1.08 0.35 0.00 -2.10 0.00 0.00 70.33 68.01 1dmr n THR 368 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1dmr n SER 369 N -3.16 4.62 -4.74 3.42 3.41 -0.51 -4.91 113.62 111.76 1dmr n SER 369 Ca 0.16 -2.37 -0.30 0.00 -0.26 0.00 0.00 58.87 56.10 1dmr n SER 369 Cb 0.56 -0.56 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1dmr n SER 369 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1dmr s GLY 370 N -0.94 1.61 0.75 5.00 0.00 -1.26 -4.93 107.32 107.55 1dmr s GLY 370 Ca 0.51 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.98 1dmr s GLY 370 CO 0.26 0.36 1.09 2.56 0.00 0.00 0.00 173.10 177.37 1dmr s PRO 371 N -5.00 2.48 0.12 2.90 0.04 -1.26 -5.05 135.00 129.23 1dmr s PRO 371 Ca 0.63 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1dmr s PRO 371 Cb -0.17 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1dmr s PRO 371 CO 0.56 -1.34 0.58 0.00 0.04 0.00 0.00 177.00 176.84 1dmr s ALA 372 N -3.20 3.57 -0.12 8.56 0.00 -1.26 -5.05 121.76 124.26 1dmr s ALA 372 Ca 0.59 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 1dmr s ALA 372 Cb -0.13 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 1dmr s ALA 372 CO 0.54 0.42 0.21 -1.17 0.00 0.00 0.00 175.76 175.75 1dmr s LEU 373 N -1.55 4.36 0.40 0.00 2.96 -1.26 -4.66 118.68 118.93 1dmr s LEU 373 Ca 0.34 0.53 0.08 0.00 -0.22 0.00 0.00 54.13 54.85 1dmr s LEU 373 Cb -0.17 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1dmr s LEU 373 CO 0.19 0.32 0.27 0.00 -1.32 0.00 0.00 176.35 175.82 1dmr s ALA 374 N -0.63 3.81 0.00 5.97 0.00 -1.26 -5.04 121.76 124.61 1dmr s ALA 374 Ca 0.16 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1dmr s ALA 374 Cb -0.13 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1dmr s ALA 374 CO 0.05 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1dmr n GLY 375 N -1.38 3.71 3.76 0.00 0.00 -1.26 -4.83 105.19 105.19 1dmr n GLY 375 Ca 0.01 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1dmr n GLY 375 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dmr s ILE 376 N -2.14 2.52 0.41 -0.61 2.07 -0.83 -5.04 121.20 117.58 1dmr s ILE 376 Ca 0.00 0.38 0.07 0.00 -1.41 0.00 0.00 60.65 59.69 1dmr s ILE 376 Cb 0.00 -3.18 -0.06 0.00 0.13 0.00 0.00 42.46 39.35 1dmr s ILE 376 CO 0.00 -0.02 0.13 0.42 -1.91 0.00 0.00 174.94 173.56 1dmr s THR 377 N -1.43 2.26 -1.59 4.00 -4.23 -1.26 -4.99 115.64 108.39 1dmr s THR 377 Ca 0.70 -1.79 0.29 0.00 -1.18 0.00 0.00 61.69 59.70 1dmr s THR 377 Cb -0.35 -2.99 0.43 0.00 1.34 0.00 0.00 72.50 70.93 1dmr s THR 377 CO 0.41 -0.02 1.85 -0.90 -0.54 0.00 0.00 174.62 175.42 1dmr n ASP 378 N -1.15 0.45 0.00 3.99 5.68 -1.26 -4.74 116.55 119.51 1dmr n ASP 378 Ca -0.02 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 1dmr n ASP 378 Cb 0.65 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1dmr n ASP 378 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dmr n GLY 379 N 1.30 2.64 0.42 6.12 0.00 -1.26 -4.16 105.19 110.24 1dmr n GLY 379 Ca 0.14 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.38 1dmr n GLY 379 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dmr h GLY 380 N 0.00 0.94 1.32 -0.02 0.00 -1.94 -2.44 103.07 100.94 1dmr h GLY 380 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1dmr h GLY 380 CO 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.47 1dmr n ALA 381 N -2.52 2.56 -2.84 3.60 0.00 -1.26 -3.73 120.51 116.32 1dmr n ALA 381 Ca 0.23 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1dmr n ALA 381 Cb 0.83 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 1dmr n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dmr n ALA 382 N -1.16 3.27 -2.45 0.00 0.00 -0.92 -5.03 120.51 114.22 1dmr n ALA 382 Ca 0.18 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 50.10 1dmr n ALA 382 Cb 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1dmr n ALA 382 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dmr n THR 383 N -0.02 0.00 0.00 0.00 -2.24 -1.24 -5.07 114.28 105.71 1dmr n THR 383 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1dmr n THR 383 Cb 0.70 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1dmr n THR 383 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1dmr n LYS 384 N 0.00 0.00 0.00 -0.78 5.02 -1.26 -5.17 118.16 115.97 1dmr n LYS 384 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1dmr n LYS 384 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1dmr n LYS 384 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dmr n GLY 385 N 0.00 -1.12 3.73 0.72 0.00 -1.26 -4.98 105.19 102.28 1dmr n GLY 385 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 1dmr n GLY 385 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dmr s PRO 386 N 0.00 2.38 -0.57 1.61 0.02 -1.26 -4.96 135.00 132.22 1dmr s PRO 386 Ca 0.00 1.75 -0.20 0.00 0.02 0.00 0.00 61.00 62.57 1dmr s PRO 386 Cb 0.00 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.73 1dmr s PRO 386 CO 0.00 -1.65 0.76 -1.21 -0.33 0.00 0.00 177.00 174.57 1dmr s GLU 387 N -3.79 3.12 0.21 5.54 2.02 -1.26 -5.03 118.70 119.52 1dmr s GLU 387 Ca 0.75 -0.92 0.08 0.00 0.02 0.00 0.00 54.97 54.89 1dmr s GLU 387 Cb -0.29 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 29.73 1dmr s GLU 387 CO 0.42 -1.47 0.02 -0.46 0.02 0.00 0.00 175.26 173.80 1dmr s TRP 388 N 3.10 2.84 -0.20 1.61 -0.11 -1.26 -5.11 118.94 119.81 1dmr s TRP 388 Ca 0.17 -0.15 -0.29 0.00 1.22 0.00 0.00 56.10 57.05 1dmr s TRP 388 Cb -0.19 -1.34 0.14 0.00 -1.50 0.00 0.00 33.47 30.58 1dmr s TRP 388 CO 0.11 0.54 1.08 -0.48 -4.62 0.00 0.00 176.95 173.58 1dmr s LEU 389 N -3.23 -0.31 0.78 5.86 2.34 -1.26 -5.14 118.68 117.71 1dmr s LEU 389 Ca 0.29 0.38 -0.17 0.00 0.06 0.00 0.00 54.13 54.69 1dmr s LEU 389 Cb -0.08 1.71 -0.14 0.00 -0.56 0.00 0.00 46.19 47.11 1dmr s LEU 389 CO 0.20 -0.26 -0.42 0.00 -1.06 0.00 0.00 176.35 174.81 1dmr n ALA 390 N 0.90 -4.21 0.00 1.48 0.00 -1.26 -4.46 120.51 112.95 1dmr n ALA 390 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1dmr n ALA 390 Cb 0.58 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1dmr n ALA 390 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dmr n ALA 391 N -2.12 -1.07 0.00 0.00 0.00 -1.26 -4.80 120.51 111.26 1dmr n ALA 391 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1dmr n ALA 391 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1dmr n ALA 391 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dmr n SER 392 N -0.53 0.00 0.00 0.00 7.64 -1.26 -4.80 113.62 114.66 1dmr n SER 392 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1dmr n SER 392 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1dmr n SER 392 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dmr n GLY 393 N -1.85 -2.21 3.41 0.23 0.00 -1.26 -4.22 105.19 99.30 1dmr n GLY 393 Ca 0.00 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 1dmr n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmr n ALA 394 N -1.55 -2.04 0.91 4.61 0.00 0.14 -4.72 120.51 117.86 1dmr n ALA 394 Ca 0.00 0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1dmr n ALA 394 Cb 0.00 -1.68 0.33 0.00 0.00 0.00 0.00 19.45 18.10 1dmr n ALA 394 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1dmr n SER 395 N 1.68 0.43 -3.90 0.00 3.41 -1.26 -4.39 113.62 109.59 1dmr n SER 395 Ca 0.12 0.02 -0.15 0.00 -0.26 0.00 0.00 58.87 58.60 1dmr n SER 395 Cb 0.37 0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 1dmr n SER 395 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dmr s VAL 396 N -3.03 0.25 0.13 -3.33 1.01 -1.26 -1.19 120.40 112.98 1dmr s VAL 396 Ca 0.11 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1dmr s VAL 396 Cb 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1dmr s VAL 396 CO 0.66 0.10 -0.18 0.27 0.00 0.00 0.00 175.10 175.95 1dmr s ILE 397 N 0.26 1.65 0.26 2.22 -4.36 -0.82 -4.95 121.20 115.45 1dmr s ILE 397 Ca -0.02 -1.71 -0.31 0.00 -0.26 0.00 0.00 60.65 58.34 1dmr s ILE 397 Cb -0.05 -1.64 -0.12 0.00 1.25 0.00 0.00 42.46 41.90 1dmr s ILE 397 CO -0.01 -0.24 1.64 -2.65 0.24 0.00 0.00 174.94 173.92 1dmr n PRO 398 N 0.67 2.69 -0.32 0.37 -0.02 -1.26 -0.55 135.00 136.58 1dmr n PRO 398 Ca -0.16 0.96 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 1dmr n PRO 398 Cb 0.56 -2.76 0.29 0.00 -0.02 0.00 0.00 33.50 31.57 1dmr n PRO 398 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1dmr h VAL 399 N 3.51 0.65 0.00 -1.45 -1.51 -1.62 -1.37 116.25 114.46 1dmr h VAL 399 Ca -0.45 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1dmr h VAL 399 Cb 1.22 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1dmr h VAL 399 CO 0.86 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 177.31 1dmr n ALA 400 N -2.39 2.55 -0.19 5.19 0.00 -1.26 -3.09 120.51 121.31 1dmr n ALA 400 Ca 0.21 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.55 1dmr n ALA 400 Cb 0.56 -1.46 0.29 0.00 0.00 0.00 0.00 19.45 18.84 1dmr n ALA 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dmr n ARG 401 N -1.00 3.32 -0.33 0.00 5.12 -0.52 -4.55 116.66 118.71 1dmr n ARG 401 Ca 0.21 -2.27 -0.01 0.00 -1.93 0.00 0.00 57.85 53.85 1dmr n ARG 401 Cb 0.10 -1.83 0.12 0.00 -1.16 0.00 0.00 32.46 29.69 1dmr n ARG 401 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 1dmr h VAL 402 N 3.17 1.14 -0.01 1.55 3.04 -1.72 -0.05 116.25 123.38 1dmr h VAL 402 Ca 0.00 -0.38 -0.24 0.00 -1.01 0.00 0.00 66.70 65.07 1dmr h VAL 402 Cb 1.29 -0.07 0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1dmr h VAL 402 CO 0.23 0.20 -0.97 0.58 -1.01 0.00 0.00 177.57 176.60 1dmr h VAL 403 N 1.12 1.35 -0.72 1.51 2.07 -1.90 -2.41 116.25 117.27 1dmr h VAL 403 Ca 0.36 -2.36 0.07 0.00 0.82 0.00 0.00 66.70 65.59 1dmr h VAL 403 Cb 0.01 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 1dmr h VAL 403 CO -0.12 0.71 0.40 0.44 0.02 0.00 0.00 177.57 179.02 1dmr h ASP 404 N 0.30 0.58 -0.13 0.57 3.32 -1.79 -1.32 116.42 117.94 1dmr h ASP 404 Ca -0.10 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1dmr h ASP 404 Cb 1.61 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.06 1dmr h ASP 404 CO 0.18 0.36 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.99 1dmr h MET 405 N 0.71 -0.00 -0.81 3.56 4.05 -0.89 -1.03 114.93 120.53 1dmr h MET 405 Ca 0.33 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.74 1dmr h MET 405 Cb 0.24 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1dmr h MET 405 CO -0.21 -0.00 0.46 -0.07 0.23 0.00 0.00 176.91 177.33 1dmr h LEU 406 N -0.00 0.98 -0.19 3.39 3.38 -0.90 -2.91 115.31 119.07 1dmr h LEU 406 Ca 0.06 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1dmr h LEU 406 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1dmr h LEU 406 CO -0.14 0.77 -0.40 -0.33 0.09 0.00 0.00 178.44 178.44 1dmr h GLU 407 N 1.12 0.00 -2.08 1.13 5.08 -1.04 -3.39 114.58 115.39 1dmr h GLU 407 Ca 0.29 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.12 1dmr h GLU 407 Cb -0.01 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.83 1dmr h GLU 407 CO -0.05 0.40 -0.95 0.09 -1.00 0.00 0.00 179.01 177.50 1dmr n ASN 408 N -3.24 2.50 -4.71 1.42 3.02 -0.41 -5.10 115.26 108.74 1dmr n ASN 408 Ca 0.02 -3.31 -0.43 0.00 -0.03 0.00 0.00 54.58 50.83 1dmr n ASN 408 Cb 0.66 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1dmr n ASN 408 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1dmr n PRO 409 N 0.03 2.29 0.00 3.52 -0.04 -1.16 -1.83 135.00 137.81 1dmr n PRO 409 Ca 0.27 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 1dmr n PRO 409 Cb 0.55 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1dmr n PRO 409 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dmr n GLY 410 N 1.39 2.93 3.81 0.55 0.00 0.27 -4.95 105.19 109.19 1dmr n GLY 410 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1dmr n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmr s ALA 411 N -2.38 2.78 0.35 4.61 0.00 -0.76 -4.57 121.76 121.79 1dmr s ALA 411 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 1dmr s ALA 411 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 1dmr s ALA 411 CO 0.00 -0.79 0.71 -1.21 0.00 0.00 0.00 175.76 174.46 1dmr s GLU 412 N -4.26 3.82 0.03 0.00 2.02 -1.26 -1.18 118.70 117.87 1dmr s GLU 412 Ca 0.62 0.44 -0.00 0.00 0.02 0.00 0.00 54.97 56.04 1dmr s GLU 412 Cb -0.15 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.59 1dmr s GLU 412 CO 0.39 0.09 -0.03 -0.59 0.02 0.00 0.00 175.26 175.14 1dmr s PHE 413 N -2.16 0.32 0.18 1.61 -0.12 0.22 -4.94 117.98 113.09 1dmr s PHE 413 Ca 0.51 -0.66 -0.06 0.00 -0.05 0.00 0.00 56.93 56.66 1dmr s PHE 413 Cb -0.10 -0.24 -0.06 0.00 -0.63 0.00 0.00 43.02 41.99 1dmr s PHE 413 CO 0.26 -0.24 0.44 -0.51 -0.05 0.00 0.00 175.22 175.12 1dmr s ASP 414 N -1.83 6.52 -0.30 1.98 1.01 -1.26 -1.49 116.67 121.30 1dmr s ASP 414 Ca -0.10 0.68 -0.05 0.00 0.71 0.00 0.00 52.55 53.79 1dmr s ASP 414 Cb -0.05 -2.13 0.17 0.00 1.01 0.00 0.00 42.92 41.92 1dmr s ASP 414 CO -0.03 -0.00 0.65 0.12 0.21 0.00 0.00 175.17 176.12 1dmr s PHE 415 N -1.74 -1.45 -1.54 4.23 5.36 -0.05 -4.83 117.98 117.95 1dmr s PHE 415 Ca 0.43 1.82 -0.10 0.00 -0.96 0.00 0.00 56.93 58.12 1dmr s PHE 415 Cb -0.12 0.61 0.08 0.00 -0.34 0.00 0.00 43.02 43.25 1dmr s PHE 415 CO 0.24 -0.77 0.67 -1.71 -1.46 0.00 0.00 175.22 172.19 1dmr n ASN 416 N 5.42 -2.27 0.00 6.13 5.15 0.70 -1.73 115.26 128.66 1dmr n ASN 416 Ca -0.05 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 1dmr n ASN 416 Cb 0.51 -3.11 0.00 0.00 -0.53 0.00 0.00 39.78 36.65 1dmr n ASN 416 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dmr n GLY 417 N -1.69 0.81 3.45 8.20 0.00 -1.26 -5.05 105.19 109.65 1dmr n GLY 417 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1dmr n GLY 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmr s THR 418 N -2.91 2.41 -0.04 2.61 -4.23 -0.71 -5.06 115.64 107.71 1dmr s THR 418 Ca 0.00 -2.26 0.05 0.00 -1.18 0.00 0.00 61.69 58.30 1dmr s THR 418 Cb 0.00 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 1dmr s THR 418 CO 0.00 -0.30 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.47 1dmr s ARG 419 N -3.19 2.43 0.18 3.99 0.52 -1.26 -0.87 118.95 120.74 1dmr s ARG 419 Ca 0.26 -0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1dmr s ARG 419 Cb -0.06 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1dmr s ARG 419 CO 0.13 0.58 0.14 -1.12 0.02 0.00 0.00 175.30 175.04 1dmr s SER 420 N -0.63 0.18 0.00 0.23 0.01 -0.56 -4.96 113.70 107.97 1dmr s SER 420 Ca 0.10 -1.27 0.04 0.00 1.31 0.00 0.00 55.95 56.12 1dmr s SER 420 Cb -0.11 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 1dmr s SER 420 CO 0.00 -0.82 -0.08 -0.54 0.41 0.00 0.00 173.24 172.21 1dmr s LYS 421 N -4.10 2.51 0.18 12.44 1.02 -1.26 -0.61 119.74 129.91 1dmr s LYS 421 Ca 0.32 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 1dmr s LYS 421 Cb 0.06 -2.47 -0.08 0.00 -0.52 0.00 0.00 37.83 34.83 1dmr s LYS 421 CO 0.08 0.60 1.18 -0.06 -0.92 0.00 0.00 175.35 176.22 1dmr s PHE 422 N -0.97 3.46 0.75 3.18 0.08 -0.32 0.25 117.98 124.40 1dmr s PHE 422 Ca 0.16 1.45 -0.11 0.00 0.12 0.00 0.00 56.93 58.56 1dmr s PHE 422 Cb -0.11 -3.40 0.04 0.00 -0.57 0.00 0.00 43.02 38.98 1dmr s PHE 422 CO 0.07 -1.08 1.08 -1.25 -0.10 0.00 0.00 175.22 173.94 1dmr s PRO 423 N -0.18 2.51 -0.93 0.24 0.04 -1.26 -0.57 135.00 134.84 1dmr s PRO 423 Ca 0.52 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.17 1dmr s PRO 423 Cb -0.32 -1.96 0.23 0.00 0.04 0.00 0.00 34.50 32.49 1dmr s PRO 423 CO 0.36 -1.35 0.92 0.34 0.04 0.00 0.00 177.00 177.31 1dmr s ASP 424 N -3.92 6.92 0.20 6.66 2.15 -1.26 -4.51 116.67 122.91 1dmr s ASP 424 Ca 0.59 -2.90 -0.30 0.00 0.43 0.00 0.00 52.55 50.37 1dmr s ASP 424 Cb -0.14 -2.23 -0.08 0.00 -0.30 0.00 0.00 42.92 40.17 1dmr s ASP 424 CO 0.54 -0.54 0.94 -0.69 -0.17 0.00 0.00 175.17 175.25 1dmr s VAL 425 N 0.04 4.22 0.00 1.11 1.01 -1.25 -4.11 120.40 121.43 1dmr s VAL 425 Ca 0.24 2.07 0.00 0.00 0.00 0.00 0.00 61.98 64.28 1dmr s VAL 425 Cb -0.09 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1dmr s VAL 425 CO -0.08 0.44 0.00 0.29 0.00 0.00 0.00 175.10 175.75 1dmr n LYS 426 N 1.91 4.17 -3.91 2.72 4.76 0.23 -4.77 118.16 123.27 1dmr n LYS 426 Ca -0.01 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1dmr n LYS 426 Cb 0.48 -0.70 -0.12 0.00 -1.84 0.00 0.00 35.03 32.85 1dmr n LYS 426 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1dmr s MET 427 N -1.39 0.19 -0.00 1.97 1.75 -0.59 -0.25 119.30 120.97 1dmr s MET 427 Ca 0.00 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.21 1dmr s MET 427 Cb 0.00 0.07 -0.01 0.00 2.84 0.00 0.00 34.83 37.73 1dmr s MET 427 CO 0.00 -0.03 -0.14 0.00 -0.65 0.00 0.00 175.02 174.20 1dmr s ALA 428 N -0.72 1.13 -0.18 4.11 0.00 -0.89 -1.04 121.76 124.17 1dmr s ALA 428 Ca -0.08 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1dmr s ALA 428 Cb -0.05 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1dmr s ALA 428 CO -0.00 0.26 -0.12 -0.47 0.00 0.00 0.00 175.76 175.43 1dmr s TYR 429 N -0.42 2.31 -0.09 0.00 6.14 -1.08 -2.01 117.35 122.20 1dmr s TYR 429 Ca 0.04 -1.42 0.04 0.00 0.64 0.00 0.00 57.07 56.37 1dmr s TYR 429 Cb -0.06 -1.63 0.00 0.00 0.42 0.00 0.00 41.96 40.70 1dmr s TYR 429 CO -0.00 -0.71 -0.21 -0.46 0.64 0.00 0.00 175.55 174.80 1dmr s TRP 430 N 1.44 2.28 0.03 4.97 -0.11 -0.16 -4.46 118.94 122.93 1dmr s TRP 430 Ca 0.02 -0.90 0.02 0.00 1.22 0.00 0.00 56.10 56.46 1dmr s TRP 430 Cb -0.15 -1.55 -0.02 0.00 -1.50 0.00 0.00 33.47 30.26 1dmr s TRP 430 CO -0.09 -0.37 -0.08 0.14 -4.62 0.00 0.00 176.95 171.93 1dmr s VAL 431 N 0.38 0.57 -1.57 5.86 -7.23 -1.26 -1.85 120.40 115.29 1dmr s VAL 431 Ca -0.17 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1dmr s VAL 431 Cb -0.17 -0.58 0.01 0.00 0.56 0.00 0.00 36.38 36.20 1dmr s VAL 431 CO 0.07 -0.19 0.35 0.61 -0.31 0.00 0.00 175.10 175.63 1dmr n GLY 432 N 1.95 -0.51 3.50 2.32 0.00 -1.24 -4.69 105.19 106.52 1dmr n GLY 432 Ca -0.19 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1dmr n GLY 432 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dmr s GLY 433 N -2.43 0.07 -0.40 -0.02 0.00 -1.26 -1.43 107.32 101.85 1dmr s GLY 433 Ca 0.19 -0.41 0.08 0.00 0.00 0.00 0.00 44.72 44.57 1dmr s GLY 433 CO 0.23 -0.40 0.52 -2.01 0.00 0.00 0.00 173.10 171.43 1dmr n ASN 434 N -0.32 0.28 0.29 1.64 5.15 -1.26 -4.96 115.26 116.07 1dmr n ASN 434 Ca -0.09 -2.70 0.13 0.00 -0.60 0.00 0.00 54.58 51.33 1dmr n ASN 434 Cb 0.62 -0.64 0.85 0.00 -0.53 0.00 0.00 39.78 40.09 1dmr n ASN 434 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1dmr h PRO 435 N 4.13 0.00 0.00 1.20 0.13 -1.96 0.92 132.00 136.42 1dmr h PRO 435 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1dmr h PRO 435 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1dmr h PRO 435 CO 0.47 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 179.44 1dmr n PHE 436 N -3.96 0.00 0.00 1.56 3.01 -1.26 -1.65 117.46 115.16 1dmr n PHE 436 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1dmr n PHE 436 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1dmr n PHE 436 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1dmr n VAL 437 N -0.52 0.00 0.15 -4.37 0.31 -0.30 -4.62 118.33 108.98 1dmr n VAL 437 Ca 0.01 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1dmr n VAL 437 Cb 0.00 -0.50 0.06 0.00 -0.91 0.00 0.00 33.84 32.49 1dmr n VAL 437 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1dmr h HIS 438 N 0.00 0.00 -3.49 3.52 2.07 -0.79 -3.44 115.15 113.03 1dmr h HIS 438 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1dmr h HIS 438 Cb 0.52 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.48 1dmr h HIS 438 CO 0.00 0.33 -0.02 -1.58 -3.07 0.00 0.00 177.93 173.60 1dmr s HIS 439 N -3.05 3.45 0.43 6.12 5.04 -0.66 -5.03 115.29 121.58 1dmr s HIS 439 Ca 0.04 0.90 -0.12 0.00 -1.54 0.00 0.00 55.06 54.34 1dmr s HIS 439 Cb 0.07 -2.31 -0.07 0.00 0.04 0.00 0.00 32.58 30.31 1dmr s HIS 439 CO 0.73 0.09 0.82 -0.65 -2.34 0.00 0.00 174.74 173.38 1dmr s GLN 440 N -3.43 3.83 -0.76 2.88 1.11 -1.26 -4.51 119.66 117.52 1dmr s GLN 440 Ca 0.48 0.59 -0.00 0.00 0.01 0.00 0.00 55.36 56.44 1dmr s GLN 440 Cb -0.11 -2.33 -0.00 0.00 -1.01 0.00 0.00 33.01 29.56 1dmr s GLN 440 CO 0.27 -0.08 0.70 -3.47 0.01 0.00 0.00 175.29 172.72 1dmr n ASP 441 N -1.31 -7.52 -0.29 5.90 -0.08 -0.84 -4.63 116.55 107.78 1dmr n ASP 441 Ca 0.03 -0.17 0.08 0.00 -1.51 0.00 0.00 54.79 53.23 1dmr n ASP 441 Cb 0.54 -5.02 0.24 0.00 2.34 0.00 0.00 41.12 39.22 1dmr n ASP 441 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1dmr h ARG 442 N 0.33 0.51 -0.53 -0.67 9.65 -1.54 -1.86 114.38 120.27 1dmr h ARG 442 Ca -0.08 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.68 1dmr h ARG 442 Cb 1.04 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.49 1dmr h ARG 442 CO 0.31 0.34 -0.03 -0.91 2.80 0.00 0.00 179.97 182.48 1dmr h ASN 443 N 0.53 0.91 -0.46 -3.80 2.35 -1.84 0.51 115.58 113.78 1dmr h ASN 443 Ca 0.47 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1dmr h ASN 443 Cb 0.75 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1dmr h ASN 443 CO -0.41 0.98 0.21 -0.09 -1.65 0.00 0.00 177.43 176.47 1dmr h ARG 444 N 0.85 0.67 -0.65 0.81 2.43 -1.73 -3.02 114.38 113.73 1dmr h ARG 444 Ca 0.15 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1dmr h ARG 444 Cb 0.55 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1dmr h ARG 444 CO 0.03 0.58 0.26 1.98 -1.51 0.00 0.00 179.97 181.31 1dmr h MET 445 N 0.60 0.97 -0.74 0.20 4.05 -0.99 -1.13 114.93 117.90 1dmr h MET 445 Ca 0.16 -0.18 0.05 0.00 -0.28 0.00 0.00 59.70 59.45 1dmr h MET 445 Cb 0.14 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 1dmr h MET 445 CO -0.02 0.82 0.44 0.28 0.23 0.00 0.00 176.91 178.66 1dmr h VAL 446 N 0.92 1.03 -0.29 -5.77 2.07 -0.81 -0.96 116.25 112.44 1dmr h VAL 446 Ca 0.22 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 1dmr h VAL 446 Cb 0.21 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1dmr h VAL 446 CO -0.02 0.15 -0.51 0.50 0.02 0.00 0.00 177.57 177.71 1dmr h LYS 447 N 0.83 0.85 -0.28 1.57 1.63 -1.39 -3.22 116.57 116.56 1dmr h LYS 447 Ca 0.32 -0.53 -0.05 0.00 -0.85 0.00 0.00 60.65 59.53 1dmr h LYS 447 Cb 0.13 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1dmr h LYS 447 CO -0.16 1.17 -0.04 0.00 -3.45 0.00 0.00 179.45 176.98 1dmr h ALA 448 N 0.68 1.41 0.00 5.00 0.00 -0.83 -2.51 119.26 123.01 1dmr h ALA 448 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dmr h ALA 448 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dmr h ALA 448 CO 0.12 0.41 0.00 1.87 0.00 0.00 0.00 179.25 181.65 1dmr n TRP 449 N -4.28 0.74 0.36 0.00 -0.00 -0.40 -1.73 117.44 112.14 1dmr n TRP 449 Ca 0.01 0.36 0.12 0.00 -0.00 0.00 0.00 57.50 57.98 1dmr n TRP 449 Cb 0.25 -1.07 0.51 0.00 -0.00 0.00 0.00 31.31 31.00 1dmr n TRP 449 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1dmr n GLU 450 N -2.24 0.19 0.25 5.87 1.02 -0.95 -1.92 120.64 122.87 1dmr n GLU 450 Ca -0.00 0.46 0.14 0.00 -0.02 0.00 0.00 57.16 57.73 1dmr n GLU 450 Cb 0.09 -1.90 0.52 0.00 -0.02 0.00 0.00 31.44 30.13 1dmr n GLU 450 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1dmr h LYS 451 N 0.00 0.00 -6.31 3.49 3.11 -1.55 -3.44 116.57 111.87 1dmr h LYS 451 Ca 0.00 0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.30 1dmr h LYS 451 Cb 0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.51 1dmr h LYS 451 CO 0.00 0.09 0.17 -0.51 -2.81 0.00 0.00 179.45 176.39 1dmr s LEU 452 N -6.39 4.45 0.07 5.20 1.43 -0.81 -4.82 118.68 117.80 1dmr s LEU 452 Ca 0.02 1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 1dmr s LEU 452 Cb 0.09 -3.26 -0.15 0.00 0.03 0.00 0.00 46.19 42.90 1dmr s LEU 452 CO 0.60 0.00 1.30 -0.33 0.23 0.00 0.00 176.35 178.15 1dmr h GLU 453 N 5.72 0.60 -3.71 1.70 5.08 -0.92 -3.46 114.58 119.60 1dmr h GLU 453 Ca -0.44 -0.42 -0.28 0.00 -1.00 0.00 0.00 59.36 57.22 1dmr h GLU 453 Cb 1.21 0.07 -0.31 0.00 0.50 0.00 0.00 28.75 30.21 1dmr h GLU 453 CO 0.71 1.04 -0.73 0.99 -1.00 0.00 0.00 179.01 180.02 1dmr s THR 454 N -3.91 0.04 -0.13 1.13 2.01 -1.20 -4.78 115.64 108.80 1dmr s THR 454 Ca -0.12 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1dmr s THR 454 Cb 0.07 -0.10 0.04 0.00 0.01 0.00 0.00 72.50 72.51 1dmr s THR 454 CO 0.83 0.06 -0.01 0.12 -0.69 0.00 0.00 174.62 174.93 1dmr s PHE 455 N 0.51 1.11 -0.07 4.92 5.36 -1.26 -2.10 117.98 126.45 1dmr s PHE 455 Ca -0.04 -0.63 0.02 0.00 -0.96 0.00 0.00 56.93 55.32 1dmr s PHE 455 Cb -0.07 -1.04 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1dmr s PHE 455 CO -0.01 -0.49 -0.13 0.08 -1.46 0.00 0.00 175.22 173.20 1dmr s VAL 456 N 1.83 3.11 0.00 3.12 1.01 -0.85 -0.36 120.40 128.25 1dmr s VAL 456 Ca 0.03 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1dmr s VAL 456 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1dmr s VAL 456 CO -0.07 0.57 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 1dmr s VAL 457 N -0.44 0.59 -0.08 2.92 1.01 -0.57 -0.99 120.40 122.84 1dmr s VAL 457 Ca 0.05 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1dmr s VAL 457 Cb -0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1dmr s VAL 457 CO 0.02 0.10 -0.19 -1.00 0.00 0.00 0.00 175.10 174.04 1dmr s HIS 458 N -0.31 2.62 0.26 5.22 3.76 -0.77 -1.43 115.29 124.64 1dmr s HIS 458 Ca 0.02 -0.57 -0.22 0.00 -0.15 0.00 0.00 55.06 54.14 1dmr s HIS 458 Cb -0.04 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 32.00 1dmr s HIS 458 CO -0.00 -0.12 0.76 0.34 -0.85 0.00 0.00 174.74 174.87 1dmr s ASP 459 N -0.14 -0.24 0.00 1.40 -1.08 -1.14 -3.69 116.67 111.78 1dmr s ASP 459 Ca -0.03 -0.58 0.14 0.00 -0.52 0.00 0.00 52.55 51.56 1dmr s ASP 459 Cb -0.14 0.69 0.04 0.00 -1.46 0.00 0.00 42.92 42.05 1dmr s ASP 459 CO 0.04 -1.28 0.82 2.22 0.52 0.00 0.00 175.17 177.49 1dmr n PHE 460 N -0.46 0.00 -4.47 -5.34 1.16 -1.26 -1.62 117.46 105.47 1dmr n PHE 460 Ca -0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.28 1dmr n PHE 460 Cb 0.59 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.33 1dmr n PHE 460 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1dmr s GLN 461 N -1.48 1.33 -1.28 3.97 -1.52 -1.26 -1.80 119.66 117.61 1dmr s GLN 461 Ca 0.13 -1.13 -0.17 0.00 -1.95 0.00 0.00 55.36 52.24 1dmr s GLN 461 Cb 0.11 -1.59 -0.00 0.00 -0.22 0.00 0.00 33.01 31.31 1dmr s GLN 461 CO 0.28 0.39 2.06 0.91 -0.25 0.00 0.00 175.29 178.67 1dmr n TRP 462 N 1.34 3.40 -1.71 0.91 7.02 0.44 -4.81 117.44 124.01 1dmr n TRP 462 Ca -0.18 -2.63 -0.29 0.00 -1.02 0.00 0.00 57.50 53.38 1dmr n TRP 462 Cb 0.53 -2.42 0.11 0.00 -2.42 0.00 0.00 31.31 27.11 1dmr n TRP 462 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1dmr s THR 463 N 4.25 2.11 0.43 -0.99 -4.23 -1.26 -4.80 115.64 111.16 1dmr s THR 463 Ca 0.52 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 61.22 1dmr s THR 463 Cb 0.11 -2.91 0.35 0.00 1.34 0.00 0.00 72.50 71.39 1dmr s THR 463 CO -0.00 -0.05 1.95 -0.65 -0.54 0.00 0.00 174.62 175.33 1dmr h PRO 464 N -1.25 0.38 -0.14 3.99 0.11 -1.89 -0.44 132.00 132.77 1dmr h PRO 464 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1dmr h PRO 464 Cb 1.33 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1dmr h PRO 464 CO 0.64 0.25 -0.00 1.15 -0.21 0.00 0.00 178.00 179.83 1dmr h THR 465 N 0.39 1.26 -0.92 -1.15 2.02 -1.91 -2.48 112.91 110.12 1dmr h THR 465 Ca 0.32 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1dmr h THR 465 Cb 0.72 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1dmr h THR 465 CO -0.09 0.25 0.55 0.00 0.37 0.00 0.00 175.52 176.59 1dmr h ALA 466 N 0.75 1.23 0.00 6.16 0.00 -1.69 -2.00 119.26 123.71 1dmr h ALA 466 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dmr h ALA 466 Cb 0.38 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dmr h ALA 466 CO 0.01 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.89 1dmr h ARG 467 N 1.27 0.00 -0.25 0.00 3.08 -0.99 -2.42 114.38 115.08 1dmr h ARG 467 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1dmr h ARG 467 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1dmr h ARG 467 CO -0.06 0.02 0.00 0.72 -1.07 0.00 0.00 179.97 179.58 1dmr n HIS 468 N -4.22 0.31 -1.97 3.04 8.25 -0.76 -2.67 115.22 117.19 1dmr n HIS 468 Ca -0.03 -0.16 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 1dmr n HIS 468 Cb 0.10 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.22 1dmr n HIS 468 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dmr s ALA 469 N -1.69 3.13 -0.03 -1.41 0.00 -0.91 -4.55 121.76 116.30 1dmr s ALA 469 Ca 0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 1dmr s ALA 469 Cb 0.19 -3.01 -0.28 0.00 0.00 0.00 0.00 23.12 20.02 1dmr s ALA 469 CO 0.28 -0.66 0.73 -0.44 0.00 0.00 0.00 175.76 175.67 1dmr h ASP 470 N -0.26 0.45 -3.32 0.00 3.32 -1.04 -3.42 116.42 112.16 1dmr h ASP 470 Ca -0.44 -0.69 -0.50 0.00 0.02 0.00 0.00 57.03 55.42 1dmr h ASP 470 Cb 1.19 -0.15 -0.35 0.00 0.22 0.00 0.00 39.33 40.24 1dmr h ASP 470 CO 0.62 1.58 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.29 1dmr s ILE 471 N -2.60 0.96 -0.16 0.35 1.01 -1.09 -0.84 121.20 118.83 1dmr s ILE 471 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1dmr s ILE 471 Cb 0.06 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1dmr s ILE 471 CO 0.84 0.34 -0.17 -0.69 0.00 0.00 0.00 174.94 175.27 1dmr s VAL 472 N 1.21 2.49 -0.11 2.92 1.01 -0.17 -1.52 120.40 126.23 1dmr s VAL 472 Ca -0.05 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1dmr s VAL 472 Cb -0.14 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1dmr s VAL 472 CO -0.02 0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 174.65 1dmr s LEU 473 N 0.97 2.42 -0.28 3.92 1.43 -0.51 -1.35 118.68 125.28 1dmr s LEU 473 Ca -0.03 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1dmr s LEU 473 Cb -0.15 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1dmr s LEU 473 CO -0.03 0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.67 1dmr s PRO 474 N 0.28 4.12 0.45 1.29 0.04 -1.26 -2.90 135.00 137.02 1dmr s PRO 474 Ca -0.13 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1dmr s PRO 474 Cb -0.16 -3.73 -0.01 0.00 0.04 0.00 0.00 34.50 30.64 1dmr s PRO 474 CO 0.07 -0.83 0.69 0.00 0.04 0.00 0.00 177.00 176.96 1dmr s ALA 475 N 3.60 3.66 0.53 8.56 0.00 -0.64 -1.45 121.76 136.02 1dmr s ALA 475 Ca 0.47 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1dmr s ALA 475 Cb -0.14 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.76 1dmr s ALA 475 CO 0.14 -0.36 0.79 0.95 0.00 0.00 0.00 175.76 177.27 1dmr s THR 476 N -2.58 3.56 0.74 0.00 -4.23 -0.79 -4.31 115.64 108.04 1dmr s THR 476 Ca 0.47 -0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1dmr s THR 476 Cb -0.10 -3.36 0.10 0.00 1.34 0.00 0.00 72.50 70.48 1dmr s THR 476 CO 0.39 -0.30 1.04 0.42 -0.54 0.00 0.00 174.62 175.63 1dmr s THR 477 N -2.78 2.22 0.48 3.99 -4.23 -1.26 -4.85 115.64 109.21 1dmr s THR 477 Ca 0.52 -0.33 0.29 0.00 -1.18 0.00 0.00 61.69 60.99 1dmr s THR 477 Cb -0.10 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.16 1dmr s THR 477 CO 0.41 0.00 2.14 0.28 -0.54 0.00 0.00 174.62 176.91 1dmr h SER 478 N -0.71 0.00 0.65 3.99 0.02 -1.95 -2.70 113.55 112.84 1dmr h SER 478 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1dmr h SER 478 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1dmr h SER 478 CO 0.51 0.07 0.00 -1.22 -1.14 0.00 0.00 176.83 175.05 1dmr n TYR 479 N -3.70 0.00 -1.08 3.45 4.01 -1.26 -3.15 117.16 115.43 1dmr n TYR 479 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 1dmr n TYR 479 Cb 0.18 -0.38 0.26 0.00 -0.31 0.00 0.00 39.34 39.09 1dmr n TYR 479 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1dmr n GLU 480 N -1.38 2.87 -3.82 -0.72 1.02 -1.02 -1.10 120.64 116.49 1dmr n GLU 480 Ca 0.10 -2.95 -0.08 0.00 -0.02 0.00 0.00 57.16 54.21 1dmr n GLU 480 Cb 0.24 -1.90 0.01 0.00 -0.02 0.00 0.00 31.44 29.78 1dmr n GLU 480 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1dmr s ARG 481 N -2.93 2.11 0.13 3.49 1.70 -1.19 -4.42 118.95 117.85 1dmr s ARG 481 Ca 0.45 -1.32 0.07 0.00 -0.47 0.00 0.00 55.73 54.45 1dmr s ARG 481 Cb 0.37 0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 35.32 1dmr s ARG 481 CO 0.08 -0.98 -0.03 -0.80 -1.08 0.00 0.00 175.30 172.48 1dmr s ASN 482 N -3.05 4.71 0.18 -2.89 0.01 -1.26 -2.59 114.94 110.05 1dmr s ASN 482 Ca 0.15 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 51.82 1dmr s ASN 482 Cb -0.05 -1.00 0.05 0.00 0.41 0.00 0.00 41.25 40.66 1dmr s ASN 482 CO 0.10 0.13 0.62 -0.67 -1.51 0.00 0.00 177.10 175.78 1dmr n ASP 483 N 0.28 -1.33 -3.84 -1.22 -0.08 -0.27 -4.84 116.55 105.25 1dmr n ASP 483 Ca -0.11 -1.80 -0.12 0.00 -1.51 0.00 0.00 54.79 51.25 1dmr n ASP 483 Cb 0.54 2.18 -0.11 0.00 2.34 0.00 0.00 41.12 46.06 1dmr n ASP 483 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1dmr s ILE 484 N -2.30 0.03 0.11 5.18 2.07 -1.26 -0.63 121.20 124.40 1dmr s ILE 484 Ca 0.13 -0.29 -0.23 0.00 -1.41 0.00 0.00 60.65 58.86 1dmr s ILE 484 Cb -0.02 -0.31 0.06 0.00 0.13 0.00 0.00 42.46 42.32 1dmr s ILE 484 CO 0.06 -0.16 0.57 -0.70 -1.91 0.00 0.00 174.94 172.79 1dmr s GLU 485 N -0.52 1.18 0.41 3.50 2.56 -0.84 -1.36 118.70 123.62 1dmr s GLU 485 Ca -0.06 -0.38 -0.24 0.00 0.00 0.00 0.00 54.97 54.30 1dmr s GLU 485 Cb -0.04 0.54 -0.09 0.00 2.00 0.00 0.00 34.13 36.54 1dmr s GLU 485 CO 0.01 -0.48 1.04 0.99 -0.56 0.00 0.00 175.26 176.26 1dmr s THR 486 N -3.22 3.77 -0.36 -1.70 2.01 -1.26 -0.61 115.64 114.27 1dmr s THR 486 Ca -0.01 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.19 1dmr s THR 486 Cb -0.00 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1dmr s THR 486 CO -0.08 -0.03 0.23 -0.63 -0.69 0.00 0.00 174.62 173.42 1dmr s ILE 487 N -1.71 4.91 0.00 1.82 1.01 0.23 -2.30 121.20 125.16 1dmr s ILE 487 Ca 0.59 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1dmr s ILE 487 Cb -0.21 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1dmr s ILE 487 CO 0.26 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1dmr n GLY 488 N 5.06 0.42 0.37 6.18 0.00 0.83 -0.53 105.19 117.52 1dmr n GLY 488 Ca -0.12 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.17 1dmr n GLY 488 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dmr h ASP 489 N 0.00 0.85 0.00 1.61 3.32 -1.79 -1.70 116.42 118.71 1dmr h ASP 489 Ca 0.00 0.05 -0.25 0.00 0.02 0.00 0.00 57.03 56.85 1dmr h ASP 489 Cb 0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1dmr h ASP 489 CO 0.00 0.44 -1.93 -1.22 -1.72 0.00 0.00 179.24 174.81 1dmr n TYR 490 N -4.61 0.00 0.12 4.55 4.01 -1.26 -4.69 117.16 115.28 1dmr n TYR 490 Ca 0.19 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.90 1dmr n TYR 490 Cb 0.39 -0.63 0.15 0.00 -0.31 0.00 0.00 39.34 38.94 1dmr n TYR 490 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1dmr h SER 491 N 0.00 0.10 -6.33 7.72 4.64 -1.73 -3.40 113.55 114.55 1dmr h SER 491 Ca -0.37 -0.06 -0.46 0.00 -0.47 0.00 0.00 61.79 60.43 1dmr h SER 491 Cb 1.59 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 63.66 1dmr h SER 491 CO -0.05 0.69 -0.89 -3.20 -0.87 0.00 0.00 176.83 172.51 1dmr n ASN 492 N -3.83 -1.78 -0.23 4.97 5.15 -0.64 -1.32 115.26 117.59 1dmr n ASN 492 Ca -0.02 -0.97 -0.00 0.00 -0.60 0.00 0.00 54.58 53.00 1dmr n ASN 492 Cb 0.62 -3.36 0.23 0.00 -0.53 0.00 0.00 39.78 36.73 1dmr n ASN 492 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1dmr h THR 493 N -1.86 1.20 0.00 -0.44 2.02 -1.05 -3.40 112.91 109.39 1dmr h THR 493 Ca -0.64 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1dmr h THR 493 Cb 1.37 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1dmr h THR 493 CO 0.57 0.20 0.00 0.61 0.37 0.00 0.00 175.52 177.28 1dmr n GLY 494 N -1.37 -1.25 3.16 2.16 0.00 -1.19 -1.60 105.19 105.10 1dmr n GLY 494 Ca 0.08 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1dmr n GLY 494 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dmr s ILE 495 N -2.97 1.69 -0.02 -0.61 1.01 -0.49 -0.60 121.20 119.20 1dmr s ILE 495 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1dmr s ILE 495 Cb 0.00 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1dmr s ILE 495 CO 0.00 0.48 -0.12 -0.22 0.00 0.00 0.00 174.94 175.08 1dmr s LEU 496 N 0.24 2.89 -0.31 2.97 2.96 0.22 -1.78 118.68 125.86 1dmr s LEU 496 Ca -0.11 -0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 53.37 1dmr s LEU 496 Cb -0.15 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1dmr s LEU 496 CO 0.05 0.32 0.80 0.00 -1.32 0.00 0.00 176.35 176.20 1dmr s ALA 497 N -0.85 3.52 -1.11 5.97 0.00 -0.17 -1.99 121.76 127.14 1dmr s ALA 497 Ca 0.14 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 1dmr s ALA 497 Cb -0.11 -3.32 0.17 0.00 0.00 0.00 0.00 23.12 19.86 1dmr s ALA 497 CO 0.03 -1.24 1.29 -1.64 0.00 0.00 0.00 175.76 174.20 1dmr s MET 498 N 3.00 3.95 0.37 0.00 1.00 0.20 -4.53 119.30 123.29 1dmr s MET 498 Ca 0.33 -2.43 -0.25 0.00 0.00 0.00 0.00 55.69 53.34 1dmr s MET 498 Cb -0.14 -4.94 -0.09 0.00 0.00 0.00 0.00 34.83 29.66 1dmr s MET 498 CO 0.13 -1.69 1.05 0.15 0.00 0.00 0.00 175.02 174.66 1dmr s LYS 499 N 1.50 4.30 0.26 2.03 1.02 -1.23 -1.11 119.74 126.50 1dmr s LYS 499 Ca 0.38 1.56 -0.31 0.00 0.02 0.00 0.00 55.97 57.61 1dmr s LYS 499 Cb -0.04 -2.70 -0.12 0.00 -0.52 0.00 0.00 37.83 34.45 1dmr s LYS 499 CO -0.04 -0.03 1.65 1.17 -0.92 0.00 0.00 175.35 177.18 1dmr n LYS 500 N 0.25 2.72 -0.11 1.68 4.81 -1.07 -4.77 118.16 121.68 1dmr n LYS 500 Ca 0.03 0.97 -0.22 0.00 -0.87 0.00 0.00 58.31 58.23 1dmr n LYS 500 Cb 0.49 -2.78 -0.09 0.00 0.02 0.00 0.00 35.03 32.67 1dmr n LYS 500 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1dmr n ILE 501 N 2.93 1.23 -4.26 3.15 5.41 -0.26 -4.96 119.36 122.60 1dmr n ILE 501 Ca 0.12 -0.35 -0.14 0.00 1.00 0.00 0.00 62.75 63.37 1dmr n ILE 501 Cb 0.36 -1.66 -0.10 0.00 -0.71 0.00 0.00 39.64 37.52 1dmr n ILE 501 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1dmr s VAL 502 N -2.42 0.82 0.61 1.39 -7.23 -0.92 -4.93 120.40 107.73 1dmr s VAL 502 Ca -0.31 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.71 1dmr s VAL 502 Cb 0.11 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1dmr s VAL 502 CO 0.42 -0.50 1.07 -1.61 -0.31 0.00 0.00 175.10 174.16 1dmr s GLU 503 N -3.88 3.21 0.22 4.82 0.41 -1.26 -4.20 118.70 118.02 1dmr s GLU 503 Ca 0.23 1.23 -0.31 0.00 -0.41 0.00 0.00 54.97 55.71 1dmr s GLU 503 Cb 0.05 -2.02 -0.15 0.00 -1.78 0.00 0.00 34.13 30.24 1dmr s GLU 503 CO 0.04 -0.90 1.19 -2.30 -0.49 0.00 0.00 175.26 172.79 1dmr n PRO 504 N -2.14 1.43 -3.00 0.39 -0.02 -1.26 -4.92 135.00 125.49 1dmr n PRO 504 Ca 0.09 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1dmr n PRO 504 Cb 0.53 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1dmr n PRO 504 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dmr s LEU 505 N 0.45 4.00 0.00 2.45 1.43 -1.26 -4.88 118.68 120.87 1dmr s LEU 505 Ca 0.68 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1dmr s LEU 505 Cb -0.76 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.18 1dmr s LEU 505 CO 0.54 -0.28 0.00 -1.22 0.23 0.00 0.00 176.35 175.62 1dmr n TYR 506 N -0.50 0.00 -1.15 0.29 4.01 -1.26 -1.24 117.16 117.31 1dmr n TYR 506 Ca 0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.77 1dmr n TYR 506 Cb 0.54 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.82 1dmr n TYR 506 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1dmr n GLU 507 N 14.00 2.92 -2.12 -0.72 1.02 -0.52 -5.03 120.64 130.19 1dmr n GLU 507 Ca 0.00 -3.04 -0.37 0.00 -0.02 0.00 0.00 57.16 53.73 1dmr n GLU 507 Cb 0.00 -2.00 0.01 0.00 -0.02 0.00 0.00 31.44 29.42 1dmr n GLU 507 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dmr s ALA 508 N -3.03 2.92 0.06 0.62 0.00 -0.37 -4.86 121.76 117.10 1dmr s ALA 508 Ca 0.49 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.51 1dmr s ALA 508 Cb 0.41 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1dmr s ALA 508 CO 0.08 -0.87 -0.07 1.03 0.00 0.00 0.00 175.76 175.94 1dmr s ARG 509 N -2.77 0.63 0.69 0.00 0.52 -0.53 -4.75 118.95 112.74 1dmr s ARG 509 Ca 0.66 -0.99 -0.16 0.00 -0.52 0.00 0.00 55.73 54.72 1dmr s ARG 509 Cb -0.32 -0.20 0.02 0.00 0.52 0.00 0.00 34.95 34.96 1dmr s ARG 509 CO 0.38 0.01 1.18 -1.54 0.02 0.00 0.00 175.30 175.36 1dmr s SER 510 N -2.20 4.59 0.39 0.23 1.04 -1.26 -1.88 113.70 114.61 1dmr s SER 510 Ca -0.01 2.28 0.06 0.00 0.48 0.00 0.00 55.95 58.76 1dmr s SER 510 Cb -0.03 -2.58 0.79 0.00 0.10 0.00 0.00 66.02 64.30 1dmr s SER 510 CO -0.02 -1.99 2.04 0.44 0.98 0.00 0.00 173.24 174.69 1dmr h ASP 511 N 0.00 0.54 -0.21 7.02 3.32 -1.94 -1.87 116.42 123.28 1dmr h ASP 511 Ca -0.48 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.58 1dmr h ASP 511 Cb 1.28 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1dmr h ASP 511 CO 0.52 0.40 0.03 0.22 -1.72 0.00 0.00 179.24 178.69 1dmr h TYR 512 N 0.63 0.06 -0.61 4.55 5.03 -1.94 0.13 116.97 124.81 1dmr h TYR 512 Ca 0.17 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.44 1dmr h TYR 512 Cb -0.06 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.20 1dmr h TYR 512 CO 0.00 0.01 0.16 -0.44 -1.32 0.00 0.00 178.16 176.57 1dmr h ASP 513 N 0.11 0.89 0.13 -2.11 3.32 -1.73 -0.54 116.42 116.49 1dmr h ASP 513 Ca 0.10 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1dmr h ASP 513 Cb 0.10 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1dmr h ASP 513 CO -0.13 0.85 -0.06 0.40 -1.72 0.00 0.00 179.24 178.58 1dmr h ILE 514 N 0.91 0.99 -0.02 0.35 2.04 -1.02 -2.46 117.51 118.30 1dmr h ILE 514 Ca 0.20 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1dmr h ILE 514 Cb 0.31 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1dmr h ILE 514 CO -0.00 0.12 -0.41 -0.26 0.00 0.00 0.00 178.15 177.59 1dmr h PHE 515 N -0.41 0.05 -0.66 1.37 0.04 -0.82 -1.88 116.94 114.63 1dmr h PHE 515 Ca -0.02 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 1dmr h PHE 515 Cb 0.33 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 1dmr h PHE 515 CO 0.00 0.45 0.20 0.00 -0.60 0.00 0.00 178.31 178.37 1dmr h ALA 516 N 1.55 1.10 -0.15 2.45 0.00 -1.07 0.80 119.26 123.94 1dmr h ALA 516 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1dmr h ALA 516 Cb 0.75 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1dmr h ALA 516 CO 0.06 0.61 -0.55 0.00 0.00 0.00 0.00 179.25 179.37 1dmr h ALA 517 N 1.24 0.78 -0.22 0.00 0.00 -1.03 -1.01 119.26 119.02 1dmr h ALA 517 Ca 0.22 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1dmr h ALA 517 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dmr h ALA 517 CO -0.01 0.69 -0.31 0.28 0.00 0.00 0.00 179.25 179.90 1dmr h VAL 518 N 0.34 1.32 -0.63 0.00 2.07 -1.02 -2.78 116.25 115.56 1dmr h VAL 518 Ca 0.01 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1dmr h VAL 518 Cb 1.06 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 1dmr h VAL 518 CO 0.10 0.47 0.41 0.00 0.02 0.00 0.00 177.57 178.57 1dmr h ALA 519 N 0.64 1.57 -0.84 1.67 0.00 -0.75 -1.45 119.26 120.11 1dmr h ALA 519 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1dmr h ALA 519 Cb 0.89 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1dmr h ALA 519 CO 0.07 0.40 0.44 1.49 0.00 0.00 0.00 179.25 181.65 1dmr h GLU 520 N 0.84 1.18 0.00 0.00 4.57 -1.06 -0.36 114.58 119.74 1dmr h GLU 520 Ca 0.23 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1dmr h GLU 520 Cb -0.08 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.29 1dmr h GLU 520 CO -0.05 0.88 0.00 0.00 -1.18 0.00 0.00 179.01 178.65 1dmr h ARG 521 N 1.17 0.00 -0.06 1.92 3.08 -0.99 -1.85 114.38 117.65 1dmr h ARG 521 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1dmr h ARG 521 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1dmr h ARG 521 CO -0.04 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 1dmr n LEU 522 N -2.82 1.51 0.00 3.04 4.77 -0.81 -4.92 117.00 117.77 1dmr n LEU 522 Ca 0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1dmr n LEU 522 Cb 0.27 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1dmr n LEU 522 CO 0.24 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1dmr n GLY 523 N 1.16 0.44 1.83 -0.72 0.00 -0.69 -4.97 105.19 102.23 1dmr n GLY 523 Ca 0.18 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 1dmr n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dmr n LYS 524 N -2.93 2.14 0.17 1.61 4.76 -0.21 -4.92 118.16 118.78 1dmr n LYS 524 Ca 0.00 -3.48 -0.14 0.00 -2.87 0.00 0.00 58.31 51.81 1dmr n LYS 524 Cb 0.00 -1.62 -0.08 0.00 -1.84 0.00 0.00 35.03 31.49 1dmr n LYS 524 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1dmr h GLY 525 N 1.84 -0.40 1.68 0.72 0.00 -1.80 -2.59 103.07 102.53 1dmr h GLY 525 Ca 0.07 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1dmr h GLY 525 CO 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 176.54 176.72 1dmr h ALA 526 N 0.25 1.48 -0.69 3.60 0.00 -1.93 -2.07 119.26 119.90 1dmr h ALA 526 Ca -0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1dmr h ALA 526 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1dmr h ALA 526 CO 0.06 0.37 0.23 0.93 0.00 0.00 0.00 179.25 180.84 1dmr h GLU 527 N 0.39 1.05 0.01 0.00 3.07 -1.92 0.74 114.58 117.91 1dmr h GLU 527 Ca 0.09 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1dmr h GLU 527 Cb 0.30 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1dmr h GLU 527 CO 0.01 0.89 -0.00 0.35 -1.40 0.00 0.00 179.01 178.85 1dmr h PHE 528 N 1.01 -0.01 0.00 4.33 3.57 -0.99 -3.35 116.94 121.50 1dmr h PHE 528 Ca 0.23 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 1dmr h PHE 528 Cb 0.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1dmr h PHE 528 CO 0.02 0.51 -0.61 1.79 -2.23 0.00 0.00 178.31 177.79 1dmr h THR 529 N -0.55 0.66 -0.85 4.41 1.35 -1.39 -3.48 112.91 113.06 1dmr h THR 529 Ca -0.00 -1.98 -0.34 0.00 -0.55 0.00 0.00 66.41 63.54 1dmr h THR 529 Cb 0.53 2.26 -0.13 0.00 -1.73 0.00 0.00 68.15 69.09 1dmr h THR 529 CO 0.00 0.38 -0.31 1.21 -0.25 0.00 0.00 175.52 176.55 1dmr n GLU 530 N -3.13 -1.16 -1.09 4.72 4.07 0.25 -1.95 120.64 122.36 1dmr n GLU 530 Ca 0.00 1.07 -0.03 0.00 -0.06 0.00 0.00 57.16 58.14 1dmr n GLU 530 Cb 0.72 -5.28 -0.01 0.00 -0.06 0.00 0.00 31.44 26.80 1dmr n GLU 530 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1dmr n GLY 531 N -0.95 0.52 3.77 8.31 0.00 -1.26 -5.01 105.19 110.58 1dmr n GLY 531 Ca -0.17 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1dmr n GLY 531 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dmr s LYS 532 N -1.58 2.84 0.48 1.61 1.02 -0.82 -5.12 119.74 118.17 1dmr s LYS 532 Ca 0.00 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.26 1dmr s LYS 532 Cb 0.00 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1dmr s LYS 532 CO 0.00 0.53 0.41 -0.40 -0.92 0.00 0.00 175.35 174.97 1dmr n ASP 533 N 0.17 2.43 -0.12 2.83 5.75 -1.26 -4.88 116.55 121.47 1dmr n ASP 533 Ca -0.09 -2.61 -0.11 0.00 -0.01 0.00 0.00 54.79 51.97 1dmr n ASP 533 Cb 0.53 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.47 1dmr n ASP 533 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1dmr h GLU 534 N 0.00 -0.35 0.00 0.11 4.81 -2.00 -1.39 114.58 115.76 1dmr h GLU 534 Ca -0.29 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1dmr h GLU 534 Cb 1.11 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1dmr h GLU 534 CO 0.46 -0.24 -0.34 0.52 -0.73 0.00 0.00 179.01 178.68 1dmr h MET 535 N -0.37 0.00 -0.40 1.92 2.86 -1.96 -2.07 114.93 114.92 1dmr h MET 535 Ca 0.11 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1dmr h MET 535 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1dmr h MET 535 CO -0.57 0.34 0.03 0.78 1.06 0.00 0.00 176.91 178.56 1dmr h GLY 536 N 1.37 0.74 0.89 8.32 0.00 -1.74 0.25 103.07 112.90 1dmr h GLY 536 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1dmr h GLY 536 CO 0.04 0.48 -0.06 1.49 0.00 0.00 0.00 176.54 178.49 1dmr h TRP 537 N 0.52 -0.17 -0.59 5.60 4.06 -1.05 -2.13 115.95 122.19 1dmr h TRP 537 Ca 0.12 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.11 1dmr h TRP 537 Cb 0.42 0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.59 1dmr h TRP 537 CO 0.03 -0.01 0.33 0.82 -3.56 0.00 0.00 178.44 176.05 1dmr h ILE 538 N -0.29 0.99 -0.77 1.49 2.04 -1.30 -2.07 117.51 117.60 1dmr h ILE 538 Ca -0.02 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1dmr h ILE 538 Cb 0.23 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1dmr h ILE 538 CO 0.03 0.11 0.27 0.50 0.00 0.00 0.00 178.15 179.07 1dmr h LYS 539 N 0.63 1.17 -0.41 2.37 3.64 -0.91 -2.27 116.57 120.78 1dmr h LYS 539 Ca 0.26 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1dmr h LYS 539 Cb 0.13 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1dmr h LYS 539 CO -0.15 0.97 0.16 0.66 -2.27 0.00 0.00 179.45 178.82 1dmr h SER 540 N 1.13 0.52 -0.22 4.20 4.64 -0.72 0.87 113.55 123.97 1dmr h SER 540 Ca 0.25 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 1dmr h SER 540 Cb 0.26 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1dmr h SER 540 CO -0.01 0.47 -0.35 -0.26 -0.87 0.00 0.00 176.83 175.81 1dmr h PHE 541 N 0.58 0.78 -0.03 4.77 0.04 -1.11 -2.57 116.94 119.40 1dmr h PHE 541 Ca 0.14 -0.27 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1dmr h PHE 541 Cb 0.12 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1dmr h PHE 541 CO 0.01 1.01 0.01 -0.92 -0.60 0.00 0.00 178.31 177.82 1dmr h TYR 542 N 0.32 0.03 -0.86 -0.55 3.20 -1.02 -2.08 116.97 116.02 1dmr h TYR 542 Ca 0.02 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1dmr h TYR 542 Cb 0.94 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 1dmr h TYR 542 CO 0.08 0.10 0.56 -0.44 -1.64 0.00 0.00 178.16 176.82 1dmr h ASP 543 N -0.04 0.87 -0.48 -2.11 3.32 -0.88 0.47 116.42 117.58 1dmr h ASP 543 Ca 0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1dmr h ASP 543 Cb 0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1dmr h ASP 543 CO -0.00 0.57 -0.04 0.44 -1.72 0.00 0.00 179.24 178.49 1dmr h ASP 544 N 0.99 0.87 -0.52 6.45 5.19 -1.30 -1.54 116.42 126.56 1dmr h ASP 544 Ca 0.36 -0.33 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1dmr h ASP 544 Cb 0.16 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1dmr h ASP 544 CO -0.13 0.99 0.11 0.00 -3.12 0.00 0.00 179.24 177.10 1dmr h ALA 545 N 0.91 0.69 -0.81 3.45 0.00 -0.59 -2.15 119.26 120.76 1dmr h ALA 545 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dmr h ALA 545 Cb 0.57 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1dmr h ALA 545 CO 0.03 0.40 0.40 0.00 0.00 0.00 0.00 179.25 180.09 1dmr h ALA 546 N 1.00 1.19 -0.66 0.00 0.00 -0.81 0.24 119.26 120.22 1dmr h ALA 546 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1dmr h ALA 546 Cb 0.36 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1dmr h ALA 546 CO 0.00 0.63 0.18 -0.22 0.00 0.00 0.00 179.25 179.84 1dmr h LYS 547 N 1.14 1.05 -0.53 0.00 3.64 -1.11 0.16 116.57 120.92 1dmr h LYS 547 Ca 0.28 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1dmr h LYS 547 Cb 0.09 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1dmr h LYS 547 CO -0.04 0.93 -0.15 0.37 -2.27 0.00 0.00 179.45 178.29 1dmr h GLN 548 N 0.98 1.03 -0.38 1.90 4.15 -0.78 -2.80 115.11 119.20 1dmr h GLN 548 Ca 0.21 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1dmr h GLN 548 Cb 0.34 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1dmr h GLN 548 CO -0.00 1.09 0.15 0.78 -1.93 0.00 0.00 178.83 178.92 1dmr h GLY 549 N 0.91 0.62 0.08 2.39 0.00 -0.29 -2.81 103.07 103.97 1dmr h GLY 549 Ca 0.13 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.19 1dmr h GLY 549 CO 0.06 0.33 -0.22 0.50 0.00 0.00 0.00 176.54 177.20 1dmr h LYS 550 N 0.47 -0.18 -0.77 4.80 1.57 -0.83 -0.27 116.57 121.37 1dmr h LYS 550 Ca 0.13 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1dmr h LYS 550 Cb 0.20 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1dmr h LYS 550 CO -0.01 -0.12 0.50 0.00 -0.57 0.00 0.00 179.45 179.26 1dmr h ALA 551 N 0.97 1.65 -0.01 3.86 0.00 -1.38 -1.70 119.26 122.65 1dmr h ALA 551 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dmr h ALA 551 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dmr h ALA 551 CO -0.43 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1dmr n ALA 552 N -2.43 2.63 -0.70 0.00 0.00 -0.66 -4.93 120.51 114.42 1dmr n ALA 552 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1dmr n ALA 552 Cb 0.21 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1dmr n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dmr n GLY 553 N 1.09 0.62 3.50 0.00 0.00 -0.62 -5.04 105.19 104.73 1dmr n GLY 553 Ca 0.21 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1dmr n GLY 553 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dmr s VAL 554 N -2.00 4.96 0.05 1.61 1.01 -0.21 -5.00 120.40 120.82 1dmr s VAL 554 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 1dmr s VAL 554 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1dmr s VAL 554 CO 0.00 0.07 0.82 -1.10 0.00 0.00 0.00 175.10 174.89 1dmr s GLN 555 N 1.68 4.54 0.00 2.72 -0.21 -1.26 -3.40 119.66 123.73 1dmr s GLN 555 Ca 0.06 1.17 0.04 0.00 0.02 0.00 0.00 55.36 56.64 1dmr s GLN 555 Cb -0.17 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.45 1dmr s GLN 555 CO 0.08 0.23 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.72 1dmr s MET 556 N 0.07 1.04 1.03 2.91 -1.94 -1.26 -5.07 119.30 116.08 1dmr s MET 556 Ca 0.41 -0.53 -0.12 0.00 -1.71 0.00 0.00 55.69 53.74 1dmr s MET 556 Cb -0.21 -1.01 0.21 0.00 2.01 0.00 0.00 34.83 35.82 1dmr s MET 556 CO 0.25 0.27 1.07 -1.25 -0.01 0.00 0.00 175.02 175.35 1dmr s PRO 557 N -0.49 0.18 0.75 2.03 0.04 -1.26 -5.01 135.00 131.25 1dmr s PRO 557 Ca 0.04 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 1dmr s PRO 557 Cb -0.06 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.85 1dmr s PRO 557 CO -0.00 -2.98 1.10 0.00 0.04 0.00 0.00 177.00 175.16 1dmr s ALA 558 N -2.74 2.28 0.19 8.56 0.00 -1.26 -4.70 121.76 124.09 1dmr s ALA 558 Ca 0.66 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 1dmr s ALA 558 Cb -0.21 -3.29 0.15 0.00 0.00 0.00 0.00 23.12 19.77 1dmr s ALA 558 CO 0.60 -1.69 1.61 0.35 0.00 0.00 0.00 175.76 176.63 1dmr h PHE 559 N -0.88 -0.65 -0.15 0.00 3.57 -1.97 -0.69 116.94 116.18 1dmr h PHE 559 Ca -0.44 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.05 1dmr h PHE 559 Cb 1.24 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 1dmr h PHE 559 CO 0.57 -0.33 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.68 1dmr h ASP 560 N -0.12 0.24 -0.37 0.41 3.32 -1.99 -0.02 116.42 117.89 1dmr h ASP 560 Ca 0.24 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 1dmr h ASP 560 Cb 0.51 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1dmr h ASP 560 CO -0.62 0.45 -0.36 0.00 -1.72 0.00 0.00 179.24 177.00 1dmr h ALA 561 N 1.57 0.62 -0.15 3.45 0.00 -1.70 -1.73 119.26 121.32 1dmr h ALA 561 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1dmr h ALA 561 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1dmr h ALA 561 CO 0.03 0.68 0.09 0.35 0.00 0.00 0.00 179.25 180.40 1dmr h PHE 562 N 0.76 0.20 -0.91 0.00 3.57 -0.63 -2.30 116.94 117.63 1dmr h PHE 562 Ca 0.07 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1dmr h PHE 562 Cb 0.94 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1dmr h PHE 562 CO 0.06 0.18 0.60 2.35 -2.23 0.00 0.00 178.31 179.27 1dmr h TRP 563 N 0.17 1.15 -0.71 0.41 2.91 -0.94 0.32 115.95 119.25 1dmr h TRP 563 Ca 0.05 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.05 1dmr h TRP 563 Cb 0.04 -0.39 -0.03 0.00 -0.51 0.00 0.00 29.16 28.27 1dmr h TRP 563 CO -0.05 0.73 0.26 0.00 -1.03 0.00 0.00 178.44 178.35 1dmr h ALA 564 N 1.42 0.93 -0.03 2.65 0.00 -1.14 -2.77 119.26 120.31 1dmr h ALA 564 Ca 0.33 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1dmr h ALA 564 Cb -0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1dmr h ALA 564 CO -0.07 0.57 -0.83 0.93 0.00 0.00 0.00 179.25 179.86 1dmr h GLU 565 N 1.03 0.34 0.00 0.00 5.08 -0.82 -3.48 114.58 116.74 1dmr h GLU 565 Ca 0.24 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1dmr h GLU 565 Cb 0.25 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1dmr h GLU 565 CO -0.01 1.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.40 1dmr n GLY 566 N 0.74 1.96 3.49 -3.84 0.00 0.11 -4.99 105.19 102.66 1dmr n GLY 566 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1dmr n GLY 566 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dmr s ILE 567 N -2.38 0.01 -0.04 -0.61 2.07 -1.25 -0.99 121.20 118.00 1dmr s ILE 567 Ca 0.00 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 1dmr s ILE 567 Cb 0.00 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1dmr s ILE 567 CO 0.00 -0.03 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.17 1dmr s VAL 568 N -1.08 1.17 0.09 4.00 1.01 -0.73 -5.00 120.40 119.86 1dmr s VAL 568 Ca -0.10 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1dmr s VAL 568 Cb -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1dmr s VAL 568 CO 0.09 0.35 -0.17 -1.61 0.00 0.00 0.00 175.10 173.76 1dmr s GLU 569 N 0.19 1.93 0.13 2.72 2.02 -1.26 -1.40 118.70 123.02 1dmr s GLU 569 Ca -0.05 -1.09 0.05 0.00 0.02 0.00 0.00 54.97 53.90 1dmr s GLU 569 Cb -0.11 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 1dmr s GLU 569 CO 0.02 0.51 0.07 -0.06 0.02 0.00 0.00 175.26 175.81 1dmr s PHE 570 N -1.08 3.07 0.38 1.61 0.08 -0.63 -4.98 117.98 116.44 1dmr s PHE 570 Ca 0.17 -0.01 -0.21 0.00 0.12 0.00 0.00 56.93 57.00 1dmr s PHE 570 Cb -0.11 -1.52 -0.10 0.00 -0.57 0.00 0.00 43.02 40.72 1dmr s PHE 570 CO 0.09 0.51 0.89 -1.25 -0.10 0.00 0.00 175.22 175.36 1dmr s PRO 571 N -2.70 4.26 -0.20 0.24 0.04 -1.26 -4.86 135.00 130.52 1dmr s PRO 571 Ca 0.29 1.06 -0.16 0.00 0.04 0.00 0.00 61.00 62.23 1dmr s PRO 571 Cb -0.11 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1dmr s PRO 571 CO 0.21 0.09 0.40 0.08 0.04 0.00 0.00 177.00 177.82 1dmr s VAL 572 N -1.99 5.20 0.00 -0.36 1.01 -1.26 -1.43 120.40 121.57 1dmr s VAL 572 Ca 0.57 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1dmr s VAL 572 Cb -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1dmr s VAL 572 CO 0.16 0.26 0.00 0.35 0.00 0.00 0.00 175.10 175.87 1dmr n THR 573 N 4.31 0.00 0.10 3.92 -2.24 -1.26 -4.88 114.28 114.22 1dmr n THR 573 Ca -0.08 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1dmr n THR 573 Cb 0.51 -0.73 0.16 0.00 -2.10 0.00 0.00 70.33 68.17 1dmr n THR 573 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1dmr n ASP 574 N -0.88 2.93 0.21 3.42 5.75 -1.26 -4.63 116.55 122.09 1dmr n ASP 574 Ca 0.00 -1.87 0.14 0.00 -0.01 0.00 0.00 54.79 53.05 1dmr n ASP 574 Cb 0.00 -0.20 0.75 0.00 -1.03 0.00 0.00 41.12 40.64 1dmr n ASP 574 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1dmr h GLY 575 N 2.96 0.00 1.93 6.12 0.00 -1.90 -2.14 103.07 110.03 1dmr h GLY 575 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dmr h GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1dmr n ALA 576 N -2.46 2.03 0.30 3.60 0.00 -1.26 -3.19 120.51 119.53 1dmr n ALA 576 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1dmr n ALA 576 Cb 0.23 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.49 1dmr n ALA 576 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1dmr n ASP 577 N -1.46 3.04 -4.69 0.00 8.00 -0.80 -4.42 116.55 116.22 1dmr n ASP 577 Ca 0.06 -1.89 -0.42 0.00 0.71 0.00 0.00 54.79 53.25 1dmr n ASP 577 Cb 0.24 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1dmr n ASP 577 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1dmr s PHE 578 N -1.33 2.32 -0.23 1.24 5.36 -1.19 -4.92 117.98 119.25 1dmr s PHE 578 Ca 0.30 0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.45 1dmr s PHE 578 Cb 0.18 -4.07 0.05 0.00 -0.34 0.00 0.00 43.02 38.84 1dmr s PHE 578 CO 0.25 -4.35 -0.12 0.08 -1.46 0.00 0.00 175.22 169.63 1dmr s VAL 579 N 2.59 1.92 0.29 3.12 1.01 -1.26 -1.31 120.40 126.75 1dmr s VAL 579 Ca 0.77 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1dmr s VAL 579 Cb -0.43 -1.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.86 1dmr s VAL 579 CO 0.34 0.12 1.49 -0.60 0.00 0.00 0.00 175.10 176.45 1dmr s ARG 580 N 1.26 4.20 0.00 2.72 3.52 -1.26 -2.62 118.95 126.76 1dmr s ARG 580 Ca -0.04 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 1dmr s ARG 580 Cb -0.18 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1dmr s ARG 580 CO -0.07 -0.50 0.00 0.66 -0.81 0.00 0.00 175.30 174.58 1dmr n TYR 581 N 1.88 0.00 -0.32 5.12 4.01 -1.26 -3.82 117.16 122.76 1dmr n TYR 581 Ca 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 1dmr n TYR 581 Cb 0.39 -0.62 0.08 0.00 -0.31 0.00 0.00 39.34 38.89 1dmr n TYR 581 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dmr h ALA 582 N 0.00 1.10 -0.25 -0.72 0.00 -1.65 -1.35 119.26 116.39 1dmr h ALA 582 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1dmr h ALA 582 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dmr h ALA 582 CO 0.00 0.52 -0.45 0.66 0.00 0.00 0.00 179.25 179.97 1dmr h SER 583 N 1.18 0.68 -0.19 0.00 4.64 -1.90 -0.81 113.55 117.15 1dmr h SER 583 Ca 0.32 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1dmr h SER 583 Cb -0.12 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 1dmr h SER 583 CO -0.07 1.04 0.12 0.15 -0.87 0.00 0.00 176.83 177.20 1dmr h PHE 584 N 0.51 0.24 -0.58 4.77 3.57 -1.67 -1.78 116.94 122.00 1dmr h PHE 584 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1dmr h PHE 584 Cb 0.98 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1dmr h PHE 584 CO 0.04 0.16 0.33 -0.09 -2.23 0.00 0.00 178.31 176.53 1dmr h ARG 585 N 0.25 0.80 -0.54 1.11 2.43 -1.13 -2.16 114.38 115.13 1dmr h ARG 585 Ca 0.07 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1dmr h ARG 585 Cb -0.02 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1dmr h ARG 585 CO -0.01 0.59 0.27 1.49 -1.51 0.00 0.00 179.97 180.80 1dmr h GLU 586 N 0.78 0.77 -1.34 0.20 4.81 -0.93 -3.40 114.58 115.48 1dmr h GLU 586 Ca 0.21 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 1dmr h GLU 586 Cb 0.01 -0.14 -0.24 0.00 0.63 0.00 0.00 28.75 29.01 1dmr h GLU 586 CO -0.04 0.62 -0.52 0.34 -0.73 0.00 0.00 179.01 178.69 1dmr s ASP 587 N -5.91 -0.60 0.52 1.04 -1.08 -0.69 -5.03 116.67 104.92 1dmr s ASP 587 Ca -0.13 -0.84 0.30 0.00 -0.52 0.00 0.00 52.55 51.35 1dmr s ASP 587 Cb 0.12 1.50 1.35 0.00 -1.46 0.00 0.00 42.92 44.44 1dmr s ASP 587 CO 0.77 -0.23 2.00 1.55 0.52 0.00 0.00 175.17 179.78 1dmr h PRO 588 N 7.26 0.00 0.10 4.34 0.13 -1.61 0.06 132.00 142.28 1dmr h PRO 588 Ca 0.03 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.88 1dmr h PRO 588 Cb 1.14 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.29 1dmr h PRO 588 CO 0.15 0.11 -1.19 -0.07 -0.23 0.00 0.00 178.00 176.77 1dmr h LEU 589 N 0.00 0.75 0.04 1.56 3.38 -1.95 -2.78 115.31 116.30 1dmr h LEU 589 Ca -0.00 -0.68 -0.24 0.00 0.09 0.00 0.00 57.88 57.04 1dmr h LEU 589 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1dmr h LEU 589 CO 0.01 1.50 -1.20 0.25 0.09 0.00 0.00 178.44 179.10 1dmr h LEU 590 N 0.24 0.12 -5.77 1.67 5.85 -1.92 -3.39 115.31 112.11 1dmr h LEU 590 Ca -0.16 -0.15 -0.58 0.00 0.84 0.00 0.00 57.88 57.83 1dmr h LEU 590 Cb 1.86 -0.04 -0.42 0.00 0.37 0.00 0.00 40.66 42.44 1dmr h LEU 590 CO 0.22 1.12 -0.71 0.59 -0.34 0.00 0.00 178.44 179.32 1dmr n ASN 591 N -3.36 3.53 -4.81 1.25 3.02 -0.01 -5.11 115.26 109.78 1dmr n ASN 591 Ca -0.06 -3.45 -0.31 0.00 -0.03 0.00 0.00 54.58 50.73 1dmr n ASN 591 Cb 0.98 -0.62 0.06 0.00 -0.61 0.00 0.00 39.78 39.60 1dmr n ASN 591 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1dmr s PRO 592 N -2.80 2.74 0.68 3.52 0.04 -1.05 -4.21 135.00 133.92 1dmr s PRO 592 Ca 0.43 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1dmr s PRO 592 Cb 0.23 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.80 1dmr s PRO 592 CO -0.08 -1.24 1.06 -0.51 0.04 0.00 0.00 177.00 176.27 1dmr s LEU 593 N -5.63 3.04 -0.05 -3.56 1.43 -0.70 -4.95 118.68 108.27 1dmr s LEU 593 Ca 0.59 1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 1dmr s LEU 593 Cb -0.15 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 1dmr s LEU 593 CO 0.55 -1.26 2.24 0.61 0.23 0.00 0.00 176.35 178.72 1dmr n GLY 594 N -2.58 2.80 3.92 -3.19 0.00 -1.26 -4.16 105.19 100.70 1dmr n GLY 594 Ca 0.07 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1dmr n GLY 594 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmr s THR 595 N -0.18 3.05 0.26 2.61 -4.23 -1.26 -4.51 115.64 111.39 1dmr s THR 595 Ca 0.14 -1.23 -0.02 0.00 -1.18 0.00 0.00 61.69 59.40 1dmr s THR 595 Cb 0.08 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 71.10 1dmr s THR 595 CO -0.00 -0.05 1.85 -0.65 -0.54 0.00 0.00 174.62 175.22 1dmr h PRO 596 N 0.96 0.98 0.00 3.99 0.11 -1.90 -1.36 132.00 134.78 1dmr h PRO 596 Ca -0.42 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dmr h PRO 596 Cb 1.27 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1dmr h PRO 596 CO 0.54 0.65 -0.70 1.79 -0.21 0.00 0.00 178.00 180.07 1dmr h THR 597 N 1.01 0.00 0.00 -1.15 1.35 -1.95 -3.47 112.91 108.69 1dmr h THR 597 Ca 0.44 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1dmr h THR 597 Cb 0.31 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1dmr h THR 597 CO -0.22 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.66 1dmr n GLY 598 N 1.27 0.80 3.64 5.82 0.00 -0.51 -4.99 105.19 111.21 1dmr n GLY 598 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1dmr n GLY 598 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dmr s LEU 599 N 0.00 2.36 -0.11 0.99 1.43 -1.26 -1.72 118.68 120.37 1dmr s LEU 599 Ca 0.00 -1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 51.25 1dmr s LEU 599 Cb 0.00 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1dmr s LEU 599 CO 0.00 -0.74 1.33 -0.63 0.23 0.00 0.00 176.35 176.55 1dmr s ILE 600 N -2.96 4.10 -0.56 -0.59 1.01 -0.45 -4.74 121.20 117.01 1dmr s ILE 600 Ca 0.21 1.37 -0.19 0.00 0.00 0.00 0.00 60.65 62.03 1dmr s ILE 600 Cb 0.05 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.72 1dmr s ILE 600 CO 0.11 -0.09 0.69 -1.61 0.00 0.00 0.00 174.94 174.04 1dmr s GLU 601 N 3.28 3.08 0.14 2.79 2.02 -0.57 -0.11 118.70 129.33 1dmr s GLU 601 Ca 0.59 -1.11 0.02 0.00 0.02 0.00 0.00 54.97 54.49 1dmr s GLU 601 Cb -0.25 -4.20 -0.11 0.00 0.10 0.00 0.00 34.13 29.67 1dmr s GLU 601 CO 0.19 -1.44 1.30 0.82 0.02 0.00 0.00 175.26 176.16 1dmr h ILE 602 N 5.91 1.55 -3.36 -1.63 2.04 -1.25 -3.42 117.51 117.36 1dmr h ILE 602 Ca -0.29 -2.90 -0.67 0.00 1.00 0.00 0.00 64.86 62.00 1dmr h ILE 602 Cb 1.09 2.66 -0.31 0.00 -0.74 0.00 0.00 36.82 39.52 1dmr h ILE 602 CO 1.05 0.84 -0.85 -0.47 0.00 0.00 0.00 178.15 178.73 1dmr s TYR 603 N -2.97 2.63 -0.25 1.37 6.14 -1.13 -4.24 117.35 118.90 1dmr s TYR 603 Ca -0.02 -0.92 -0.04 0.00 0.64 0.00 0.00 57.07 56.73 1dmr s TYR 603 Cb 0.09 -1.74 0.01 0.00 0.42 0.00 0.00 41.96 40.74 1dmr s TYR 603 CO 0.84 -0.35 -0.02 0.45 0.64 0.00 0.00 175.55 177.11 1dmr s SER 604 N 0.32 4.53 0.33 4.32 0.15 0.29 -4.64 113.70 119.00 1dmr s SER 604 Ca -0.16 -0.70 0.06 0.00 0.70 0.00 0.00 55.95 55.85 1dmr s SER 604 Cb -0.17 -1.74 0.57 0.00 -1.71 0.00 0.00 66.02 62.97 1dmr s SER 604 CO 0.08 -0.12 1.80 0.11 1.20 0.00 0.00 173.24 176.31 1dmr h LYS 605 N 8.10 0.33 -0.34 5.44 1.57 -1.97 -1.79 116.57 127.91 1dmr h LYS 605 Ca -0.35 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1dmr h LYS 605 Cb 1.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1dmr h LYS 605 CO 0.59 0.55 0.20 -0.97 -0.57 0.00 0.00 179.45 179.25 1dmr h ASN 606 N 0.30 0.41 0.09 0.86 -0.73 -1.98 -2.28 115.58 112.25 1dmr h ASN 606 Ca 0.05 -0.05 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 1dmr h ASN 606 Cb 0.57 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 1dmr h ASN 606 CO 0.04 0.34 -0.47 0.40 -0.37 0.00 0.00 177.43 177.37 1dmr h ILE 607 N 0.44 1.32 -0.97 2.57 2.04 -1.88 -2.92 117.51 118.12 1dmr h ILE 607 Ca 0.12 -1.68 0.08 0.00 1.00 0.00 0.00 64.86 64.38 1dmr h ILE 607 Cb 0.01 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 1dmr h ILE 607 CO -0.02 0.52 0.61 -0.08 0.00 0.00 0.00 178.15 179.18 1dmr h GLU 608 N 0.36 1.05 0.00 2.37 4.81 -1.09 -1.77 114.58 120.31 1dmr h GLU 608 Ca 0.02 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1dmr h GLU 608 Cb 0.97 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1dmr h GLU 608 CO 0.08 0.69 -0.10 0.87 -0.73 0.00 0.00 179.01 179.83 1dmr h LYS 609 N 1.08 0.00 0.00 1.92 1.57 -1.22 -2.35 116.57 117.57 1dmr h LYS 609 Ca 0.43 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.11 1dmr h LYS 609 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1dmr h LYS 609 CO -0.20 0.10 -0.48 0.52 -0.57 0.00 0.00 179.45 178.82 1dmr h MET 610 N 0.00 0.00 -5.17 3.15 2.86 -1.27 -3.48 114.93 111.03 1dmr h MET 610 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 1dmr h MET 610 Cb 0.44 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.22 1dmr h MET 610 CO 0.01 0.48 -0.59 0.41 1.06 0.00 0.00 176.91 178.29 1dmr n GLY 611 N 0.14 -0.33 3.68 8.32 0.00 -0.88 -4.98 105.19 111.13 1dmr n GLY 611 Ca -0.01 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1dmr n GLY 611 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dmr s TYR 612 N -3.28 3.44 0.40 1.61 2.02 -1.26 -4.95 117.35 115.33 1dmr s TYR 612 Ca 0.49 1.01 0.11 0.00 -0.37 0.00 0.00 57.07 58.31 1dmr s TYR 612 Cb -0.22 -2.77 0.81 0.00 -0.40 0.00 0.00 41.96 39.39 1dmr s TYR 612 CO 0.63 -0.07 1.91 0.38 -1.57 0.00 0.00 175.55 176.83 1dmr h ASP 613 N 7.21 0.12 -0.57 2.29 2.03 -2.00 -2.86 116.42 122.63 1dmr h ASP 613 Ca -0.35 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 1dmr h ASP 613 Cb 1.16 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1dmr h ASP 613 CO 0.77 0.34 0.00 -0.90 -1.03 0.00 0.00 179.24 178.42 1dmr n ASP 614 N -4.24 3.51 -3.09 4.15 5.68 -1.26 -4.53 116.55 116.76 1dmr n ASP 614 Ca -0.01 -2.14 -0.13 0.00 -0.50 0.00 0.00 54.79 52.00 1dmr n ASP 614 Cb 0.30 -0.45 -0.04 0.00 -1.14 0.00 0.00 41.12 39.79 1dmr n ASP 614 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dmr s PRO 616 N 0.77 -1.43 0.00 0.00 0.02 -1.25 -4.47 135.00 128.63 1dmr s PRO 616 Ca 0.28 0.34 0.24 0.00 0.02 0.00 0.00 61.00 61.87 1dmr s PRO 616 Cb -0.02 -1.54 1.20 0.00 0.02 0.00 0.00 34.50 34.17 1dmr s PRO 616 CO -0.09 -3.94 1.80 0.00 -0.33 0.00 0.00 177.00 174.43 1dmr n ALA 617 N -4.99 2.60 -2.74 -1.55 0.00 -1.26 -4.79 120.51 107.78 1dmr n ALA 617 Ca 0.08 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1dmr n ALA 617 Cb 0.58 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1dmr n ALA 617 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1dmr s HIS 618 N -1.95 0.02 0.15 0.00 -3.43 -1.26 -0.55 115.29 108.27 1dmr s HIS 618 Ca 0.35 -0.38 -0.34 0.00 -0.80 0.00 0.00 55.06 53.88 1dmr s HIS 618 Cb 0.17 0.05 -0.15 0.00 -1.43 0.00 0.00 32.58 31.23 1dmr s HIS 618 CO 0.28 -0.59 1.45 -2.30 -2.00 0.00 0.00 174.74 171.58 1dmr n PRO 619 N -0.04 1.75 -3.84 -0.38 -0.02 -1.26 -4.97 135.00 126.23 1dmr n PRO 619 Ca -0.16 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1dmr n PRO 619 Cb 0.62 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 1dmr n PRO 619 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1dmr s THR 620 N 0.55 0.00 -0.17 3.45 2.01 -1.26 -5.05 115.64 115.16 1dmr s THR 620 Ca 0.78 -0.01 -0.27 0.00 0.31 0.00 0.00 61.69 62.51 1dmr s THR 620 Cb -0.77 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1dmr s THR 620 CO 0.43 -0.00 0.91 0.86 -0.69 0.00 0.00 174.62 176.13 1dmr s TRP 621 N 0.03 3.42 0.05 4.92 -0.11 -1.26 -4.93 118.94 121.06 1dmr s TRP 621 Ca -0.00 1.37 0.05 0.00 1.22 0.00 0.00 56.10 58.74 1dmr s TRP 621 Cb -0.01 -3.10 -0.02 0.00 -1.50 0.00 0.00 33.47 28.84 1dmr s TRP 621 CO 0.00 -0.29 -0.14 -1.64 -4.62 0.00 0.00 176.95 170.27 1dmr s MET 622 N 2.33 0.87 0.15 5.86 -1.94 -1.26 -5.12 119.30 120.19 1dmr s MET 622 Ca 0.42 -0.80 -0.30 0.00 -1.71 0.00 0.00 55.69 53.30 1dmr s MET 622 Cb -0.17 -0.87 -0.07 0.00 2.01 0.00 0.00 34.83 35.73 1dmr s MET 622 CO 0.12 0.21 1.21 -1.21 -0.01 0.00 0.00 175.02 175.34 1dmr s GLU 623 N -1.30 4.47 0.77 2.03 0.41 -1.26 -5.02 118.70 118.80 1dmr s GLU 623 Ca 0.00 1.86 -0.10 0.00 -0.41 0.00 0.00 54.97 56.32 1dmr s GLU 623 Cb -0.08 -3.27 0.07 0.00 -1.78 0.00 0.00 34.13 29.07 1dmr s GLU 623 CO 0.01 -0.15 1.12 -1.25 -0.49 0.00 0.00 175.26 174.51 1dmr s PRO 624 N 0.17 2.10 0.24 0.39 0.04 -1.26 -4.96 135.00 131.72 1dmr s PRO 624 Ca 0.55 0.02 -0.07 0.00 0.04 0.00 0.00 61.00 61.54 1dmr s PRO 624 Cb -0.32 -2.02 0.43 0.00 0.04 0.00 0.00 34.50 32.62 1dmr s PRO 624 CO 0.34 -1.45 1.66 1.25 0.04 0.00 0.00 177.00 178.84 1dmr h LEU 625 N -0.89 -0.20 -7.29 -3.56 5.85 -1.95 -3.42 115.31 103.87 1dmr h LEU 625 Ca -0.45 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 1dmr h LEU 625 Cb 1.32 0.28 -0.23 0.00 0.37 0.00 0.00 40.66 42.39 1dmr h LEU 625 CO 0.64 -0.12 -0.19 -1.83 -0.34 0.00 0.00 178.44 176.60 1dmr s GLU 626 N -6.09 0.53 0.07 1.25 -1.05 -1.26 -5.08 118.70 107.07 1dmr s GLU 626 Ca -0.13 0.58 -0.15 0.00 -0.15 0.00 0.00 54.97 55.12 1dmr s GLU 626 Cb 0.21 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 34.19 1dmr s GLU 626 CO 0.75 -0.07 0.34 -0.98 0.95 0.00 0.00 175.26 176.25 1dmr s ARG 627 N 0.16 0.91 0.11 -4.83 1.70 -1.26 -4.77 118.95 110.97 1dmr s ARG 627 Ca -0.01 -0.59 -0.32 0.00 -0.47 0.00 0.00 55.73 54.35 1dmr s ARG 627 Cb -0.03 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.63 1dmr s ARG 627 CO 0.01 -0.32 1.82 -0.11 -1.08 0.00 0.00 175.30 175.63 1dmr n LEU 628 N 0.25 3.94 -1.92 -1.89 7.94 -1.26 -1.43 117.00 122.64 1dmr n LEU 628 Ca -0.17 0.99 -0.19 0.00 -1.11 0.00 0.00 56.01 55.53 1dmr n LEU 628 Cb 0.61 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 43.00 1dmr n LEU 628 CO 0.20 0.13 -0.22 0.47 -1.11 0.00 0.00 177.39 176.86 1dmr n ASP 629 N 5.54 -5.39 -4.87 1.96 8.00 -1.26 -4.99 116.55 115.55 1dmr n ASP 629 Ca 0.18 0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.52 1dmr n ASP 629 Cb 0.36 -4.47 -0.01 0.00 -0.02 0.00 0.00 41.12 36.98 1dmr n ASP 629 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1dmr s GLY 630 N -2.36 1.76 0.10 0.44 0.00 -0.51 -4.95 107.32 101.79 1dmr s GLY 630 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.32 1dmr s GLY 630 CO 0.00 0.16 1.88 -1.55 0.00 0.00 0.00 173.10 173.58 1dmr n PRO 631 N -2.26 2.80 -1.34 2.90 -0.04 -1.26 -1.68 135.00 134.13 1dmr n PRO 631 Ca 0.05 1.02 -0.12 0.00 -0.04 0.00 0.00 63.50 64.42 1dmr n PRO 631 Cb 0.54 -2.93 -0.05 0.00 -0.04 0.00 0.00 33.50 31.02 1dmr n PRO 631 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dmr n GLY 632 N 4.32 1.27 3.74 0.55 0.00 -1.26 -4.97 105.19 108.84 1dmr n GLY 632 Ca 0.19 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1dmr n GLY 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmr s ALA 633 N -2.42 3.62 0.02 4.61 0.00 -0.67 -4.95 121.76 121.96 1dmr s ALA 633 Ca 0.00 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 1dmr s ALA 633 Cb 0.00 -3.55 -0.33 0.00 0.00 0.00 0.00 23.12 19.24 1dmr s ALA 633 CO 0.00 -0.70 0.94 -0.22 0.00 0.00 0.00 175.76 175.78 1dmr h LYS 634 N 5.31 0.46 -6.17 0.00 3.64 -1.93 -3.47 116.57 114.41 1dmr h LYS 634 Ca -0.45 -0.79 -0.65 0.00 -1.27 0.00 0.00 60.65 57.49 1dmr h LYS 634 Cb 1.22 0.30 -0.10 0.00 -0.41 0.00 0.00 32.23 33.23 1dmr h LYS 634 CO 0.79 1.37 -0.61 0.71 -2.27 0.00 0.00 179.45 179.44 1dmr s TYR 635 N -2.60 3.17 -0.62 1.91 2.02 -1.26 -5.05 117.35 114.91 1dmr s TYR 635 Ca -0.10 0.09 0.24 0.00 -0.37 0.00 0.00 57.07 56.93 1dmr s TYR 635 Cb 0.05 -1.63 0.25 0.00 -0.40 0.00 0.00 41.96 40.23 1dmr s TYR 635 CO 0.92 0.52 1.23 -0.35 -1.57 0.00 0.00 175.55 176.29 1dmr n PRO 636 N 0.68 0.30 -5.03 -1.71 -0.04 -1.24 -4.74 135.00 123.22 1dmr n PRO 636 Ca -0.10 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 1dmr n PRO 636 Cb 0.52 -1.66 -0.16 0.00 -0.04 0.00 0.00 33.50 32.16 1dmr n PRO 636 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dmr s LEU 637 N -4.16 1.99 0.06 1.53 1.43 -0.90 -4.82 118.68 113.82 1dmr s LEU 637 Ca 0.05 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1dmr s LEU 637 Cb 0.14 -1.14 -0.06 0.00 0.03 0.00 0.00 46.19 45.15 1dmr s LEU 637 CO 0.75 0.21 0.67 -2.28 0.23 0.00 0.00 176.35 175.92 1dmr s HIS 638 N -0.13 3.77 -0.37 0.29 5.65 -0.45 -0.61 115.29 123.45 1dmr s HIS 638 Ca -0.02 1.38 -0.14 0.00 0.25 0.00 0.00 55.06 56.53 1dmr s HIS 638 Cb -0.12 -2.67 -0.00 0.00 -1.18 0.00 0.00 32.58 28.61 1dmr s HIS 638 CO 0.02 0.42 0.28 0.42 -0.65 0.00 0.00 174.74 175.23 1dmr s ILE 639 N -0.56 5.26 -0.97 0.89 1.01 -0.19 -1.07 121.20 125.58 1dmr s ILE 639 Ca 0.33 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 1dmr s ILE 639 Cb -0.20 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1dmr s ILE 639 CO 0.21 -0.14 1.77 0.00 0.00 0.00 0.00 174.94 176.78 1dmr s ALA 640 N 1.75 2.08 -1.36 9.38 0.00 0.40 -4.64 121.76 129.38 1dmr s ALA 640 Ca 0.06 -1.84 -0.08 0.00 0.00 0.00 0.00 51.96 50.10 1dmr s ALA 640 Cb -0.18 -4.56 0.10 0.00 0.00 0.00 0.00 23.12 18.49 1dmr s ALA 640 CO 0.11 -4.37 2.28 0.00 0.00 0.00 0.00 175.76 173.77 1dmr n ALA 641 N 12.05 6.33 -2.87 0.00 0.00 -1.26 -3.19 120.51 131.58 1dmr n ALA 641 Ca 0.38 -4.07 -0.12 0.00 0.00 0.00 0.00 53.44 49.63 1dmr n ALA 641 Cb 0.48 -2.99 0.04 0.00 0.00 0.00 0.00 19.45 16.98 1dmr n ALA 641 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1dmr n SER 642 N 3.06 0.97 -4.75 0.00 3.41 -1.26 -4.30 113.62 110.76 1dmr n SER 642 Ca 0.56 -1.72 -0.40 0.00 -0.26 0.00 0.00 58.87 57.04 1dmr n SER 642 Cb 0.29 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1dmr n SER 642 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1dmr s HIS 643 N -0.98 3.78 0.40 7.33 3.76 -1.26 -0.75 115.29 127.57 1dmr s HIS 643 Ca 0.31 1.78 -0.26 0.00 -0.15 0.00 0.00 55.06 56.75 1dmr s HIS 643 Cb -0.02 -3.13 -0.09 0.00 1.11 0.00 0.00 32.58 30.45 1dmr s HIS 643 CO 0.20 -0.04 1.31 -1.25 -0.85 0.00 0.00 174.74 174.10 1dmr s PRO 644 N -0.91 3.99 0.03 8.40 0.04 -1.26 -4.90 135.00 140.39 1dmr s PRO 644 Ca 0.44 2.17 -0.19 0.00 0.04 0.00 0.00 61.00 63.46 1dmr s PRO 644 Cb -0.28 -2.77 -0.19 0.00 0.04 0.00 0.00 34.50 31.30 1dmr s PRO 644 CO 0.35 -0.48 1.21 0.35 0.04 0.00 0.00 177.00 178.46 1dmr h PHE 645 N 2.71 0.64 -0.56 0.56 3.04 -1.94 -3.36 116.94 118.04 1dmr h PHE 645 Ca -0.50 -0.29 -0.25 0.00 3.98 0.00 0.00 57.97 60.91 1dmr h PHE 645 Cb 1.25 -0.10 -0.15 0.00 2.56 0.00 0.00 35.95 39.51 1dmr h PHE 645 CO 0.53 1.06 0.17 0.09 -2.02 0.00 0.00 178.31 178.14 1dmr n ASN 646 N -4.27 3.29 -4.07 0.41 3.02 -1.26 -4.93 115.26 107.45 1dmr n ASN 646 Ca -0.08 -3.57 -0.10 0.00 -0.03 0.00 0.00 54.58 50.80 1dmr n ASN 646 Cb 0.59 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 1dmr n ASN 646 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dmr s ARG 647 N -3.18 1.10 -0.52 3.52 0.52 -1.26 -4.92 118.95 114.21 1dmr s ARG 647 Ca 0.49 -1.34 -0.08 0.00 -0.52 0.00 0.00 55.73 54.28 1dmr s ARG 647 Cb 0.42 0.32 0.13 0.00 0.52 0.00 0.00 34.95 36.34 1dmr s ARG 647 CO 0.06 -0.37 0.38 -1.17 0.02 0.00 0.00 175.30 174.22 1dmr s LEU 648 N -3.03 5.69 0.00 2.53 2.96 -1.16 -4.61 118.68 121.06 1dmr s LEU 648 Ca 0.23 -2.13 0.00 0.00 -0.22 0.00 0.00 54.13 52.01 1dmr s LEU 648 Cb 0.05 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1dmr s LEU 648 CO 0.03 -0.62 0.00 1.41 -1.32 0.00 0.00 176.35 175.84 1dmr n HIS 649 N 4.59 0.00 0.57 5.38 8.25 -1.26 -0.49 115.22 132.26 1dmr n HIS 649 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 1dmr n HIS 649 Cb 0.41 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.69 1dmr n HIS 649 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1dmr n SER 650 N 8.30 0.69 -4.76 0.41 3.41 -1.25 -4.36 113.62 116.06 1dmr n SER 650 Ca 0.00 0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 1dmr n SER 650 Cb 0.00 0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1dmr n SER 650 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dmr s GLN 651 N -3.17 4.20 0.00 4.33 -0.21 0.35 -2.36 119.66 122.81 1dmr s GLN 651 Ca 0.06 2.43 0.00 0.00 0.02 0.00 0.00 55.36 57.87 1dmr s GLN 651 Cb 0.13 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 31.09 1dmr s GLN 651 CO 0.72 -0.48 0.00 1.28 -2.12 0.00 0.00 175.29 174.69 1dmr n LEU 652 N 1.76 0.03 -0.05 2.90 4.77 -1.26 -2.99 117.00 122.15 1dmr n LEU 652 Ca 0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1dmr n LEU 652 Cb 0.39 -0.33 0.23 0.00 -2.33 0.00 0.00 43.42 41.39 1dmr n LEU 652 CO 0.62 -0.02 0.90 -1.13 -1.33 0.00 0.00 177.39 176.43 1dmr h ASN 653 N 0.00 0.60 -1.32 -1.43 -1.24 -1.82 -3.12 115.58 107.26 1dmr h ASN 653 Ca 0.00 -0.13 -0.59 0.00 0.71 0.00 0.00 56.30 56.29 1dmr h ASN 653 Cb 0.02 -0.16 -0.19 0.00 0.73 0.00 0.00 38.32 38.71 1dmr h ASN 653 CO 0.00 0.68 0.75 0.61 -1.29 0.00 0.00 177.43 178.18 1dmr n GLY 654 N -0.76 4.74 3.28 1.57 0.00 -1.26 -4.58 105.19 108.18 1dmr n GLY 654 Ca 0.02 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 1dmr n GLY 654 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmr s THR 655 N -2.82 0.00 0.57 2.61 -4.23 -1.18 -4.69 115.64 105.90 1dmr s THR 655 Ca 0.56 -1.98 0.37 0.00 -1.18 0.00 0.00 61.69 59.46 1dmr s THR 655 Cb 0.37 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 72.10 1dmr s THR 655 CO -0.25 0.00 2.27 -0.37 -0.54 0.00 0.00 174.62 175.73 1dmr h VAL 656 N 2.23 0.23 0.00 2.29 -1.51 -1.90 -2.39 116.25 115.21 1dmr h VAL 656 Ca -0.27 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 1dmr h VAL 656 Cb 1.24 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1dmr h VAL 656 CO 0.40 0.02 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.66 1dmr h LEU 657 N 0.00 0.00 -1.78 4.19 3.38 -1.92 -2.66 115.31 116.52 1dmr h LEU 657 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1dmr h LEU 657 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1dmr h LEU 657 CO 0.00 0.03 0.23 -0.09 0.09 0.00 0.00 178.44 178.70 1dmr h ARG 658 N 0.00 0.27 -0.34 1.13 2.43 -1.67 -1.70 114.38 114.50 1dmr h ARG 658 Ca -0.00 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1dmr h ARG 658 Cb 0.05 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1dmr h ARG 658 CO 0.00 0.18 0.23 1.49 -1.51 0.00 0.00 179.97 180.37 1dmr h GLU 659 N 0.28 0.17 0.00 0.20 4.57 -1.69 0.09 114.58 118.19 1dmr h GLU 659 Ca 0.15 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1dmr h GLU 659 Cb 0.24 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1dmr h GLU 659 CO -0.03 0.11 0.00 0.78 -1.18 0.00 0.00 179.01 178.69 1dmr h GLY 660 N 0.17 0.00 0.00 1.92 0.00 -1.49 -3.37 103.07 100.30 1dmr h GLY 660 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1dmr h GLY 660 CO -0.02 0.00 -0.18 1.58 0.00 0.00 0.00 176.54 177.92 1dmr n TYR 661 N -3.00 0.00 -2.04 5.60 0.18 -0.87 -5.08 117.16 111.95 1dmr n TYR 661 Ca 0.02 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.44 1dmr n TYR 661 Cb 0.37 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.36 1dmr n TYR 661 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1dmr s ALA 662 N -0.57 2.56 -0.26 -3.48 0.00 -0.04 -4.33 121.76 115.63 1dmr s ALA 662 Ca 0.00 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1dmr s ALA 662 Cb 0.00 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.75 1dmr s ALA 662 CO 0.00 -1.11 -0.08 0.08 0.00 0.00 0.00 175.76 174.65 1dmr s VAL 663 N -1.65 2.01 -1.45 0.00 1.01 -0.40 -4.61 120.40 115.32 1dmr s VAL 663 Ca 0.76 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1dmr s VAL 663 Cb -0.29 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1dmr s VAL 663 CO 0.32 -0.11 0.74 0.00 0.00 0.00 0.00 175.10 176.05 1dmr n GLN 664 N 4.48 -4.89 -0.07 2.72 6.02 -1.26 -1.27 117.38 123.10 1dmr n GLN 664 Ca -0.12 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1dmr n GLN 664 Cb 0.42 -5.51 0.00 0.00 1.02 0.00 0.00 30.24 26.18 1dmr n GLN 664 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dmr n GLY 665 N -1.51 2.35 3.97 1.08 0.00 -1.26 -5.04 105.19 104.78 1dmr n GLY 665 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1dmr n GLY 665 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dmr s HIS 666 N -2.90 2.98 0.38 1.61 3.76 -0.40 -4.98 115.29 115.75 1dmr s HIS 666 Ca 0.00 -0.30 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 1dmr s HIS 666 Cb 0.00 -2.08 -0.10 0.00 1.11 0.00 0.00 32.58 31.51 1dmr s HIS 666 CO 0.00 -0.10 1.35 -2.00 -0.85 0.00 0.00 174.74 173.14 1dmr s GLU 667 N -4.19 4.09 0.48 1.40 2.56 -0.48 -1.27 118.70 121.28 1dmr s GLU 667 Ca 0.47 2.28 -0.21 0.00 0.00 0.00 0.00 54.97 57.51 1dmr s GLU 667 Cb -0.09 -2.89 -0.08 0.00 2.00 0.00 0.00 34.13 33.08 1dmr s GLU 667 CO 0.31 -0.44 1.09 -1.25 -0.56 0.00 0.00 175.26 174.41 1dmr s PRO 668 N -2.09 3.75 -0.18 4.30 0.04 -1.26 -1.21 135.00 138.34 1dmr s PRO 668 Ca 0.54 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 1dmr s PRO 668 Cb -0.41 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 31.96 1dmr s PRO 668 CO 0.54 -0.51 -0.07 0.00 0.04 0.00 0.00 177.00 177.00 1dmr s LEU 670 N 1.55 4.32 -0.00 0.00 1.43 -0.63 -1.15 118.68 124.19 1dmr s LEU 670 Ca -0.00 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1dmr s LEU 670 Cb -0.16 -3.17 -0.00 0.00 0.03 0.00 0.00 46.19 42.89 1dmr s LEU 670 CO -0.08 -0.16 -0.04 -0.32 0.23 0.00 0.00 176.35 175.99 1dmr s MET 671 N 0.91 0.34 0.46 1.70 1.75 -0.43 -1.88 119.30 122.16 1dmr s MET 671 Ca 0.40 -0.14 -0.24 0.00 -1.25 0.00 0.00 55.69 54.47 1dmr s MET 671 Cb -0.18 -0.34 -0.07 0.00 2.84 0.00 0.00 34.83 37.08 1dmr s MET 671 CO 0.19 0.08 1.27 -1.58 -0.65 0.00 0.00 175.02 174.33 1dmr s HIS 672 N -0.03 2.69 0.26 4.11 2.46 -1.24 -0.72 115.29 122.81 1dmr s HIS 672 Ca 0.01 1.44 -0.02 0.00 0.47 0.00 0.00 55.06 56.96 1dmr s HIS 672 Cb -0.02 -3.60 0.52 0.00 -0.13 0.00 0.00 32.58 29.34 1dmr s HIS 672 CO -0.00 -2.11 1.72 -1.35 -2.47 0.00 0.00 174.74 170.53 1dmr h PRO 673 N 2.11 0.44 -0.30 2.88 0.11 -1.92 -0.72 132.00 134.59 1dmr h PRO 673 Ca -0.50 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1dmr h PRO 673 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1dmr h PRO 673 CO 0.60 0.29 -0.24 -0.44 -0.21 0.00 0.00 178.00 178.00 1dmr h ASP 674 N 0.45 0.60 0.16 -2.05 3.32 -1.97 0.17 116.42 117.10 1dmr h ASP 674 Ca 0.45 -0.21 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 1dmr h ASP 674 Cb 0.71 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1dmr h ASP 674 CO -0.43 0.83 -0.68 0.44 -1.72 0.00 0.00 179.24 177.68 1dmr h ASP 675 N 0.52 0.55 -0.20 6.45 3.32 -1.77 -2.29 116.42 123.00 1dmr h ASP 675 Ca 0.07 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1dmr h ASP 675 Cb 0.69 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1dmr h ASP 675 CO 0.05 1.07 -0.15 0.00 -1.72 0.00 0.00 179.24 178.50 1dmr h ALA 676 N 0.92 0.28 -0.92 3.45 0.00 -0.88 -3.24 119.26 118.88 1dmr h ALA 676 Ca -0.02 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1dmr h ALA 676 Cb 1.25 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1dmr h ALA 676 CO 0.12 0.17 0.60 0.00 0.00 0.00 0.00 179.25 180.14 1dmr h ALA 677 N 0.66 1.21 0.00 0.00 0.00 -0.64 -1.33 119.26 119.15 1dmr h ALA 677 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dmr h ALA 677 Cb 0.67 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dmr h ALA 677 CO 0.04 0.46 -0.02 0.00 0.00 0.00 0.00 179.25 179.73 1dmr h ALA 678 N 1.38 1.26 -0.02 0.00 0.00 -1.44 -1.66 119.26 118.78 1dmr h ALA 678 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1dmr h ALA 678 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dmr h ALA 678 CO -0.12 0.02 -0.00 0.54 0.00 0.00 0.00 179.25 179.69 1dmr n ARG 679 N -3.48 1.56 -2.79 0.00 1.74 -0.75 -4.97 116.66 107.96 1dmr n ARG 679 Ca -0.03 -1.59 -0.14 0.00 -0.77 0.00 0.00 57.85 55.33 1dmr n ARG 679 Cb 0.11 -1.35 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1dmr n ARG 679 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dmr n GLY 680 N 1.04 -0.02 3.69 -0.13 0.00 -0.62 -4.64 105.19 104.50 1dmr n GLY 680 Ca 0.11 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1dmr n GLY 680 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dmr s ILE 681 N -2.97 4.81 0.21 -0.61 1.01 -0.58 -4.94 121.20 118.13 1dmr s ILE 681 Ca 0.21 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.91 1dmr s ILE 681 Cb -0.09 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1dmr s ILE 681 CO 0.26 0.52 -0.03 0.00 0.00 0.00 0.00 174.94 175.69 1dmr s ALA 682 N -0.13 3.11 0.09 9.38 0.00 -1.26 -4.34 121.76 128.62 1dmr s ALA 682 Ca 0.07 -1.49 -0.35 0.00 0.00 0.00 0.00 51.96 50.19 1dmr s ALA 682 Cb -0.12 -0.85 -0.15 0.00 0.00 0.00 0.00 23.12 22.00 1dmr s ALA 682 CO 0.01 0.41 1.53 -3.47 0.00 0.00 0.00 175.76 174.24 1dmr n ASP 683 N -0.32 2.60 0.00 0.00 2.03 -1.26 -1.78 116.55 117.82 1dmr n ASP 683 Ca -0.09 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.31 1dmr n ASP 683 Cb 0.56 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1dmr n ASP 683 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmr n GLY 684 N 3.24 0.61 3.77 0.27 0.00 0.79 -5.00 105.19 108.87 1dmr n GLY 684 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1dmr n GLY 684 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dmr s ASP 685 N -2.34 5.40 -0.06 1.61 1.01 -0.73 -4.63 116.67 116.93 1dmr s ASP 685 Ca 0.00 2.16 -0.21 0.00 0.71 0.00 0.00 52.55 55.20 1dmr s ASP 685 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1dmr s ASP 685 CO 0.00 -1.43 0.62 -0.69 0.21 0.00 0.00 175.17 173.88 1dmr s VAL 686 N -1.93 5.04 0.13 -1.27 1.01 -1.26 -1.08 120.40 121.04 1dmr s VAL 686 Ca 0.72 1.28 0.08 0.00 0.00 0.00 0.00 61.98 64.05 1dmr s VAL 686 Cb -0.24 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1dmr s VAL 686 CO 0.33 0.31 -0.18 0.68 0.00 0.00 0.00 175.10 176.24 1dmr s VAL 687 N 0.49 1.66 -0.26 2.92 -7.23 -0.25 -1.25 120.40 116.48 1dmr s VAL 687 Ca 0.33 -1.71 -0.10 0.00 -1.81 0.00 0.00 61.98 58.69 1dmr s VAL 687 Cb -0.17 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1dmr s VAL 687 CO 0.16 -0.23 0.16 -0.60 -0.31 0.00 0.00 175.10 174.28 1dmr s ARG 688 N -2.38 3.93 -0.24 4.82 3.52 0.18 -1.64 118.95 127.15 1dmr s ARG 688 Ca 0.10 -0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.29 1dmr s ARG 688 Cb -0.07 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1dmr s ARG 688 CO 0.05 -0.10 0.09 0.08 -0.81 0.00 0.00 175.30 174.60 1dmr s VAL 689 N 1.51 4.58 0.07 7.11 1.01 0.23 -2.03 120.40 132.88 1dmr s VAL 689 Ca 0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 1dmr s VAL 689 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1dmr s VAL 689 CO 0.08 0.36 0.24 -1.38 0.00 0.00 0.00 175.10 174.39 1dmr s HIS 690 N 1.32 0.03 0.00 5.22 -0.00 -0.35 -1.29 115.29 120.22 1dmr s HIS 690 Ca 0.05 -0.33 0.00 0.00 -0.00 0.00 0.00 55.06 54.78 1dmr s HIS 690 Cb -0.15 0.01 0.00 0.00 -0.00 0.00 0.00 32.58 32.45 1dmr s HIS 690 CO 0.04 -0.52 0.00 0.27 -0.00 0.00 0.00 174.74 174.53 1dmr n ASN 691 N 0.26 0.00 0.16 7.38 0.23 -0.67 -1.25 115.26 121.38 1dmr n ASN 691 Ca -0.17 -0.14 0.13 0.00 -0.53 0.00 0.00 54.58 53.87 1dmr n ASN 691 Cb 0.61 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.75 1dmr n ASN 691 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1dmr h ASP 692 N 0.00 0.00 0.49 0.53 3.32 -1.95 -3.26 116.42 115.55 1dmr h ASP 692 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1dmr h ASP 692 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1dmr h ASP 692 CO 0.00 0.00 -1.68 0.54 -1.72 0.00 0.00 179.24 176.38 1dmr n ARG 693 N -2.53 0.64 -2.51 3.56 1.74 -1.26 -5.07 116.66 111.22 1dmr n ARG 693 Ca 0.03 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1dmr n ARG 693 Cb 0.36 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 30.08 1dmr n ARG 693 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dmr n GLY 694 N 1.47 0.71 3.28 -0.13 0.00 -1.23 -4.70 105.19 104.58 1dmr n GLY 694 Ca -0.14 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1dmr n GLY 694 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dmr s GLN 695 N -2.01 0.42 0.09 1.61 -2.07 -1.26 -1.67 119.66 114.78 1dmr s GLN 695 Ca 0.10 0.68 0.01 0.00 -1.82 0.00 0.00 55.36 54.33 1dmr s GLN 695 Cb -0.01 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 1dmr s GLN 695 CO 0.01 -0.11 -0.06 0.96 -1.32 0.00 0.00 175.29 174.76 1dmr s ILE 696 N 0.87 0.64 -0.12 3.63 -4.36 -0.41 -2.40 121.20 119.04 1dmr s ILE 696 Ca -0.05 -1.92 -0.05 0.00 -0.26 0.00 0.00 60.65 58.37 1dmr s ILE 696 Cb -0.06 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 1dmr s ILE 696 CO -0.07 -0.89 0.08 -0.76 0.24 0.00 0.00 174.94 173.54 1dmr s LEU 697 N -3.02 4.01 0.22 0.37 1.43 -0.51 -0.60 118.68 120.58 1dmr s LEU 697 Ca 0.11 0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1dmr s LEU 697 Cb 0.06 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1dmr s LEU 697 CO -0.05 0.36 0.12 0.42 0.23 0.00 0.00 176.35 177.42 1dmr s THR 698 N -0.75 0.21 -0.12 5.49 -4.23 -0.65 -3.18 115.64 112.41 1dmr s THR 698 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1dmr s THR 698 Cb -0.12 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1dmr s THR 698 CO 0.03 -0.01 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.14 1dmr s GLY 699 N -3.22 1.56 0.11 3.99 0.00 -0.35 -1.09 107.32 108.31 1dmr s GLY 699 Ca 0.38 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 1dmr s GLY 699 CO 0.12 -0.26 0.59 0.14 0.00 0.00 0.00 173.10 173.70 1dmr s VAL 700 N 0.19 4.72 -0.21 1.40 1.01 -0.24 -0.70 120.40 126.57 1dmr s VAL 700 Ca -0.07 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.11 1dmr s VAL 700 Cb -0.15 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1dmr s VAL 700 CO 0.05 0.47 -0.15 -0.54 0.00 0.00 0.00 175.10 174.92 1dmr s LYS 701 N -1.34 2.57 -0.16 2.72 1.02 -0.30 -0.15 119.74 124.10 1dmr s LYS 701 Ca 0.32 -1.02 -0.25 0.00 0.02 0.00 0.00 55.97 55.05 1dmr s LYS 701 Cb -0.19 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1dmr s LYS 701 CO 0.20 -0.37 0.80 0.08 -0.92 0.00 0.00 175.35 175.14 1dmr s VAL 702 N 1.24 4.91 -0.11 3.17 1.01 -1.26 -1.32 120.40 128.04 1dmr s VAL 702 Ca -0.01 1.58 -0.22 0.00 0.00 0.00 0.00 61.98 63.34 1dmr s VAL 702 Cb -0.16 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.16 1dmr s VAL 702 CO -0.09 0.06 0.53 -0.89 0.00 0.00 0.00 175.10 174.70 1dmr s THR 703 N 1.97 0.02 -1.47 3.92 2.01 0.10 -4.92 115.64 117.26 1dmr s THR 703 Ca 0.38 -0.12 0.09 0.00 0.31 0.00 0.00 61.69 62.34 1dmr s THR 703 Cb -0.17 -0.80 0.32 0.00 0.01 0.00 0.00 72.50 71.87 1dmr s THR 703 CO 0.13 -0.07 1.17 -0.90 -0.69 0.00 0.00 174.62 174.26 1dmr n ASP 704 N 1.80 2.31 0.16 3.53 5.68 -1.26 -3.61 116.55 125.16 1dmr n ASP 704 Ca -0.17 -2.16 0.01 0.00 -0.50 0.00 0.00 54.79 51.97 1dmr n ASP 704 Cb 0.56 -0.36 0.33 0.00 -1.14 0.00 0.00 41.12 40.50 1dmr n ASP 704 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dmr h ALA 705 N 3.33 1.32 -2.67 2.12 0.00 -1.92 -3.41 119.26 118.02 1dmr h ALA 705 Ca 0.00 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.94 1dmr h ALA 705 Cb 0.73 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1dmr h ALA 705 CO 0.09 0.50 -0.28 0.14 0.00 0.00 0.00 179.25 179.69 1dmr s VAL 706 N -4.20 5.16 0.65 0.00 -7.23 -1.24 -0.17 120.40 113.38 1dmr s VAL 706 Ca -0.03 0.57 -0.15 0.00 -1.81 0.00 0.00 61.98 60.56 1dmr s VAL 706 Cb 0.14 -3.63 -0.00 0.00 0.56 0.00 0.00 36.38 33.45 1dmr s VAL 706 CO 0.74 0.50 1.11 0.00 -0.31 0.00 0.00 175.10 177.13 1dmr s MET 707 N -1.33 2.84 0.29 4.82 0.23 -0.86 -4.53 119.30 120.75 1dmr s MET 707 Ca 0.25 1.37 -0.30 0.00 -1.03 0.00 0.00 55.69 55.98 1dmr s MET 707 Cb -0.15 -1.96 -0.12 0.00 -1.53 0.00 0.00 34.83 31.08 1dmr s MET 707 CO 0.13 -1.22 1.57 1.17 -2.03 0.00 0.00 175.02 174.65 1dmr n LYS 708 N -2.39 2.62 -0.09 3.16 4.81 -1.26 -1.97 118.16 123.04 1dmr n LYS 708 Ca 0.10 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1dmr n LYS 708 Cb 0.52 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1dmr n LYS 708 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dmr n GLY 709 N 2.16 0.58 3.18 3.14 0.00 -1.26 -5.05 105.19 107.94 1dmr n GLY 709 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1dmr n GLY 709 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dmr s VAL 710 N -2.28 1.59 0.13 1.61 1.01 -0.83 -1.34 120.40 120.29 1dmr s VAL 710 Ca 0.00 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.26 1dmr s VAL 710 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1dmr s VAL 710 CO 0.00 0.45 -0.21 0.27 0.00 0.00 0.00 175.10 175.61 1dmr s ILE 711 N -0.14 2.62 -0.24 2.22 -4.36 -0.23 -4.47 121.20 116.60 1dmr s ILE 711 Ca -0.01 -1.64 -0.04 0.00 -0.26 0.00 0.00 60.65 58.71 1dmr s ILE 711 Cb -0.11 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1dmr s ILE 711 CO 0.02 0.07 -0.03 -1.58 0.24 0.00 0.00 174.94 173.66 1dmr s GLN 712 N -2.19 3.20 -0.24 0.37 0.74 -0.79 -0.45 119.66 120.31 1dmr s GLN 712 Ca 0.17 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.83 1dmr s GLN 712 Cb -0.10 -3.06 0.07 0.00 1.10 0.00 0.00 33.01 31.02 1dmr s GLN 712 CO 0.09 -0.29 0.02 0.42 -0.55 0.00 0.00 175.29 174.99 1dmr s ILE 713 N 1.45 0.97 0.70 -2.34 1.01 -1.19 -1.60 121.20 120.19 1dmr s ILE 713 Ca 0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1dmr s ILE 713 Cb -0.15 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1dmr s ILE 713 CO -0.03 -0.30 1.18 -0.31 0.00 0.00 0.00 174.94 175.49 1dmr s TYR 714 N 1.63 2.23 0.76 3.97 2.02 -1.26 -4.07 117.35 122.62 1dmr s TYR 714 Ca 0.00 1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 58.17 1dmr s TYR 714 Cb -0.18 -3.40 0.05 0.00 -0.40 0.00 0.00 41.96 38.03 1dmr s TYR 714 CO -0.12 -2.33 1.08 -1.83 -1.57 0.00 0.00 175.55 170.78 1dmr s GLU 715 N -3.88 2.40 0.00 -0.62 4.04 0.07 -4.35 118.70 116.36 1dmr s GLU 715 Ca 0.73 0.95 0.00 0.00 0.04 0.00 0.00 54.97 56.69 1dmr s GLU 715 Cb -0.27 -1.93 0.00 0.00 0.02 0.00 0.00 34.13 31.95 1dmr s GLU 715 CO 0.43 -1.48 0.00 0.41 -1.84 0.00 0.00 175.26 172.78 1dmr n GLY 716 N -1.69 0.58 3.77 -3.83 0.00 -1.26 -4.29 105.19 98.47 1dmr n GLY 716 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1dmr n GLY 716 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dmr s GLY 717 N -1.55 2.98 -0.58 -0.02 0.00 -1.26 -3.89 107.32 103.00 1dmr s GLY 717 Ca 0.00 1.23 -0.28 0.00 0.00 0.00 0.00 44.72 45.68 1dmr s GLY 717 CO 0.00 1.90 1.50 -0.98 0.00 0.00 0.00 173.10 175.51 1dmr s TRP 718 N -1.08 2.14 -0.11 1.90 0.52 -1.26 -4.29 118.94 116.76 1dmr s TRP 718 Ca 0.49 0.47 -0.40 0.00 0.02 0.00 0.00 56.10 56.67 1dmr s TRP 718 Cb -0.39 -4.36 -0.18 0.00 -1.15 0.00 0.00 33.47 27.39 1dmr s TRP 718 CO 0.52 -2.10 1.37 0.98 0.02 0.00 0.00 176.95 177.73 1dmr n TYR 719 N 10.16 1.37 -3.54 -1.98 9.36 -1.26 -4.64 117.16 126.63 1dmr n TYR 719 Ca 0.13 0.85 -0.27 0.00 3.32 0.00 0.00 57.90 61.93 1dmr n TYR 719 Cb 0.50 -2.26 -0.11 0.00 -0.63 0.00 0.00 39.34 36.84 1dmr n TYR 719 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1dmr s ASP 720 N 1.32 2.44 0.30 2.98 2.15 -1.26 -4.72 116.67 119.87 1dmr s ASP 720 Ca 0.93 -3.24 -0.29 0.00 0.43 0.00 0.00 52.55 50.37 1dmr s ASP 720 Cb -1.18 -0.77 -0.11 0.00 -0.30 0.00 0.00 42.92 40.57 1dmr s ASP 720 CO 0.60 -0.15 1.46 -2.16 -0.17 0.00 0.00 175.17 174.74 1dmr s PRO 721 N -0.31 4.22 0.13 4.34 0.04 -1.26 -0.65 135.00 141.52 1dmr s PRO 721 Ca 0.30 2.39 -0.16 0.00 0.04 0.00 0.00 61.00 63.57 1dmr s PRO 721 Cb -0.00 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.48 1dmr s PRO 721 CO -0.18 -0.44 1.69 0.77 0.04 0.00 0.00 177.00 178.88 1dmr h SER 722 N 4.35 0.54 -2.42 6.66 0.02 -1.54 -3.42 113.55 117.74 1dmr h SER 722 Ca -0.48 -0.16 -0.27 0.00 -0.84 0.00 0.00 61.79 60.05 1dmr h SER 722 Cb 1.22 -0.14 -0.34 0.00 0.14 0.00 0.00 62.40 63.28 1dmr h SER 722 CO 0.73 0.55 -0.58 -0.62 -1.14 0.00 0.00 176.83 175.77 1dmr s ASP 723 N -5.83 1.02 0.58 3.07 -1.08 -1.26 -5.03 116.67 108.14 1dmr s ASP 723 Ca -0.13 -0.04 0.30 0.00 -0.52 0.00 0.00 52.55 52.16 1dmr s ASP 723 Cb 0.10 0.57 1.79 0.00 -1.46 0.00 0.00 42.92 43.93 1dmr s ASP 723 CO 0.75 -0.31 2.23 -0.37 0.52 0.00 0.00 175.17 177.99 1dmr h VAL 724 N 6.28 0.51 -0.01 1.11 -1.51 -1.91 -1.63 116.25 119.09 1dmr h VAL 724 Ca -0.17 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1dmr h VAL 724 Cb 1.15 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1dmr h VAL 724 CO 0.26 0.02 -0.16 0.35 -1.23 0.00 0.00 177.57 176.82 1dmr n THR 725 N -3.79 0.00 -3.24 7.19 -2.24 -1.26 -4.77 114.28 106.17 1dmr n THR 725 Ca -0.03 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1dmr n THR 725 Cb 0.11 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 1dmr n THR 725 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1dmr s GLU 726 N -2.40 3.56 0.19 -0.78 2.12 -0.62 -5.04 118.70 115.74 1dmr s GLU 726 Ca 0.29 -0.23 -0.32 0.00 0.36 0.00 0.00 54.97 55.07 1dmr s GLU 726 Cb 0.20 -3.83 -0.12 0.00 0.26 0.00 0.00 34.13 30.64 1dmr s GLU 726 CO 0.47 -0.68 1.74 -0.35 -0.54 0.00 0.00 175.26 175.90 1dmr n PRO 727 N 5.75 2.76 -1.30 4.30 -0.04 -1.26 -1.69 135.00 143.52 1dmr n PRO 727 Ca -0.05 1.00 -0.08 0.00 -0.04 0.00 0.00 63.50 64.32 1dmr n PRO 727 Cb 0.49 -2.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 1dmr n PRO 727 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dmr n GLY 728 N 3.99 0.96 3.57 0.55 0.00 -1.26 -4.97 105.19 108.03 1dmr n GLY 728 Ca 0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1dmr n GLY 728 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dmr n THR 729 N -2.84 2.75 -2.06 2.61 5.66 -0.68 -4.70 114.28 115.02 1dmr n THR 729 Ca -0.08 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.00 1dmr n THR 729 Cb 0.29 -1.01 -0.03 0.00 -1.55 0.00 0.00 70.33 68.04 1dmr n THR 729 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1dmr s LEU 730 N -0.56 4.38 -0.22 1.09 2.96 -1.26 -4.74 118.68 120.33 1dmr s LEU 730 Ca 0.68 2.49 -0.25 0.00 -0.22 0.00 0.00 54.13 56.83 1dmr s LEU 730 Cb -0.49 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.60 1dmr s LEU 730 CO 0.53 -0.71 0.84 -0.62 -1.32 0.00 0.00 176.35 175.07 1dmr s ASP 731 N 0.95 6.88 0.30 3.68 2.15 -1.01 -1.39 116.67 128.22 1dmr s ASP 731 Ca 0.65 1.09 0.25 0.00 0.43 0.00 0.00 52.55 54.97 1dmr s ASP 731 Cb -0.40 -2.44 0.67 0.00 -0.30 0.00 0.00 42.92 40.44 1dmr s ASP 731 CO 0.33 -0.49 1.72 0.11 -0.17 0.00 0.00 175.17 176.67 1dmr h LYS 732 N 7.57 0.00 0.00 4.34 1.57 -1.22 -1.34 116.57 127.49 1dmr h LYS 732 Ca -0.25 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.21 1dmr h LYS 732 Cb 1.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 1dmr h LYS 732 CO 0.87 0.00 -2.07 0.98 -0.57 0.00 0.00 179.45 178.66 1dmr n TYR 733 N -2.57 0.04 0.00 -1.35 9.36 -1.26 -4.63 117.16 116.75 1dmr n TYR 733 Ca 0.05 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1dmr n TYR 733 Cb 0.46 -0.86 0.00 0.00 -0.63 0.00 0.00 39.34 38.30 1dmr n TYR 733 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1dmr n GLY 734 N 1.32 0.03 3.55 2.98 0.00 -1.19 -1.38 105.19 110.48 1dmr n GLY 734 Ca -0.43 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1dmr n GLY 734 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dmr s ASP 735 N 0.00 6.41 0.59 1.61 2.15 -1.26 -4.33 116.67 121.84 1dmr s ASP 735 Ca 0.00 -0.06 0.39 0.00 0.43 0.00 0.00 52.55 53.31 1dmr s ASP 735 Cb 0.00 -2.36 1.91 0.00 -0.30 0.00 0.00 42.92 42.17 1dmr s ASP 735 CO 0.00 -0.80 2.17 1.62 -0.17 0.00 0.00 175.17 177.98 1dmr h VAL 736 N 5.87 0.00 0.00 1.11 3.04 -1.86 -2.26 116.25 122.15 1dmr h VAL 736 Ca -0.25 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1dmr h VAL 736 Cb 1.09 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1dmr h VAL 736 CO 0.92 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 178.07 1dmr n ASN 737 N -3.01 0.00 0.23 3.17 3.02 -1.26 -1.67 115.26 115.74 1dmr n ASN 737 Ca -0.01 -1.06 0.12 0.00 -0.03 0.00 0.00 54.58 53.60 1dmr n ASN 737 Cb 0.17 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.78 1dmr n ASN 737 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dmr h VAL 738 N 0.00 0.26 0.00 2.41 2.07 -1.74 -1.61 116.25 117.64 1dmr h VAL 738 Ca 0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1dmr h VAL 738 Cb 0.00 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1dmr h VAL 738 CO 0.00 0.12 -1.14 0.18 0.02 0.00 0.00 177.57 176.75 1dmr n LEU 739 N -3.20 0.53 -4.89 2.57 4.77 -0.67 -3.62 117.00 112.50 1dmr n LEU 739 Ca 0.01 -0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.37 1dmr n LEU 739 Cb 0.43 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1dmr n LEU 739 CO 0.32 0.13 0.68 -0.94 -1.33 0.00 0.00 177.39 176.26 1dmr s SER 740 N -3.08 5.73 0.10 -1.43 1.04 -1.22 -4.84 113.70 110.00 1dmr s SER 740 Ca 0.02 1.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.53 1dmr s SER 740 Cb 0.12 -2.05 -0.05 0.00 0.10 0.00 0.00 66.02 64.14 1dmr s SER 740 CO 0.71 -1.11 0.32 0.00 0.98 0.00 0.00 173.24 174.14 1dmr s ALA 741 N -3.20 3.85 -0.97 5.32 0.00 -1.26 -2.65 121.76 122.84 1dmr s ALA 741 Ca 0.56 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1dmr s ALA 741 Cb -0.11 -2.06 0.24 0.00 0.00 0.00 0.00 23.12 21.20 1dmr s ALA 741 CO 0.51 0.70 0.91 0.34 0.00 0.00 0.00 175.76 178.22 1dmr s ASP 742 N -2.29 6.64 0.10 0.00 2.15 -1.26 -4.61 116.67 117.40 1dmr s ASP 742 Ca 0.37 -3.50 0.02 0.00 0.43 0.00 0.00 52.55 49.87 1dmr s ASP 742 Cb -0.13 -2.08 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1dmr s ASP 742 CO 0.24 -0.28 -0.07 0.27 -0.17 0.00 0.00 175.17 175.15 1dmr s ILE 743 N -1.07 0.77 0.48 4.11 -4.36 -1.26 -5.02 121.20 114.85 1dmr s ILE 743 Ca 0.27 -1.86 -0.17 0.00 -0.26 0.00 0.00 60.65 58.63 1dmr s ILE 743 Cb -0.10 -1.59 -0.09 0.00 1.25 0.00 0.00 42.46 41.93 1dmr s ILE 743 CO -0.09 -0.79 0.95 -0.83 0.24 0.00 0.00 174.94 174.42 1dmr s GLY 744 N -2.89 2.17 0.24 6.27 0.00 -1.26 -3.81 107.32 108.04 1dmr s GLY 744 Ca 0.10 0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.98 1dmr s GLY 744 CO -0.03 0.49 1.90 -0.91 0.00 0.00 0.00 173.10 174.55 1dmr h THR 745 N 1.27 1.18 -2.35 0.90 1.35 -1.31 -3.44 112.91 110.51 1dmr h THR 745 Ca -0.48 -0.41 0.22 0.00 -0.55 0.00 0.00 66.41 65.20 1dmr h THR 745 Cb 1.18 -0.12 -0.05 0.00 -1.73 0.00 0.00 68.15 67.43 1dmr h THR 745 CO 0.62 0.22 0.69 -0.94 -0.25 0.00 0.00 175.52 175.85 1dmr s SER 746 N -5.98 -0.01 0.33 5.36 1.04 -1.26 -0.83 113.70 112.36 1dmr s SER 746 Ca -0.13 -0.50 0.26 0.00 0.48 0.00 0.00 55.95 56.07 1dmr s SER 746 Cb 0.18 0.38 1.03 0.00 0.10 0.00 0.00 66.02 67.71 1dmr s SER 746 CO 0.80 -0.75 1.78 0.11 0.98 0.00 0.00 173.24 176.17 1dmr h LYS 747 N 2.00 0.00 0.29 4.02 1.57 -1.90 -1.48 116.57 121.07 1dmr h LYS 747 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1dmr h LYS 747 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1dmr h LYS 747 CO 0.34 0.00 -0.14 1.25 -0.57 0.00 0.00 179.45 180.33 1dmr h LEU 748 N 0.00 -0.33 0.00 2.94 5.85 -1.92 -3.27 115.31 118.58 1dmr h LEU 748 Ca 0.00 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 1dmr h LEU 748 Cb 0.47 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1dmr h LEU 748 CO 0.00 0.11 -1.71 0.00 -0.34 0.00 0.00 178.44 176.50 1dmr n ALA 749 N -2.55 2.26 -3.62 1.25 0.00 -1.23 -0.22 120.51 116.40 1dmr n ALA 749 Ca -0.09 -0.49 -0.27 0.00 0.00 0.00 0.00 53.44 52.60 1dmr n ALA 749 Cb 0.27 -0.34 0.03 0.00 0.00 0.00 0.00 19.45 19.41 1dmr n ALA 749 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1dmr n GLN 750 N -2.13 -5.63 -1.87 0.00 1.13 -0.56 -4.86 117.38 103.47 1dmr n GLN 750 Ca -0.08 0.68 -0.29 0.00 -1.94 0.00 0.00 57.00 55.37 1dmr n GLN 750 Cb 0.53 -5.58 0.09 0.00 0.11 0.00 0.00 30.24 25.39 1dmr n GLN 750 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1dmr s GLY 751 N -3.11 1.59 0.51 1.08 0.00 -1.26 -4.62 107.32 101.51 1dmr s GLY 751 Ca 0.55 -0.59 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 1dmr s GLY 751 CO 0.68 -0.12 0.91 0.54 0.00 0.00 0.00 173.10 175.12 1dmr s ASN 752 N -4.50 6.43 -0.44 1.64 2.20 -1.26 -0.97 114.94 118.03 1dmr s ASN 752 Ca 0.62 1.31 0.05 0.00 -0.94 0.00 0.00 52.86 53.89 1dmr s ASN 752 Cb -0.11 -2.41 0.42 0.00 -2.00 0.00 0.00 41.25 37.15 1dmr s ASN 752 CO 0.50 -0.62 1.21 0.00 -2.94 0.00 0.00 177.10 175.25 1dmr h GLY 754 N 2.51 0.00 -0.73 0.00 0.00 -1.79 -2.29 103.07 100.77 1dmr h GLY 754 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1dmr h GLY 754 CO 0.89 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.37 1dmr n GLN 755 N -2.29 2.28 -3.28 4.80 6.02 -0.22 -4.76 117.38 119.92 1dmr n GLN 755 Ca -0.01 -2.47 -0.45 0.00 -0.01 0.00 0.00 57.00 54.05 1dmr n GLN 755 Cb 0.08 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.81 1dmr n GLN 755 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1dmr n THR 756 N -0.76 4.57 -3.71 5.09 -1.04 -0.86 -4.84 114.28 112.73 1dmr n THR 756 Ca 0.15 -5.33 -0.17 0.00 -2.04 0.00 0.00 64.05 56.66 1dmr n THR 756 Cb 0.66 -2.56 -0.16 0.00 -1.82 0.00 0.00 70.33 66.44 1dmr n THR 756 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1dmr s VAL 757 N -1.02 -0.12 0.10 12.58 1.01 -1.26 -4.48 120.40 127.21 1dmr s VAL 757 Ca 0.32 0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.72 1dmr s VAL 757 Cb -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1dmr s VAL 757 CO -0.06 0.13 -0.23 -0.76 0.00 0.00 0.00 175.10 174.18 1dmr s LEU 758 N 1.75 2.45 0.34 3.92 1.43 -1.26 -1.02 118.68 126.29 1dmr s LEU 758 Ca -0.01 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.30 1dmr s LEU 758 Cb -0.12 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1dmr s LEU 758 CO -0.04 0.20 0.71 0.00 0.23 0.00 0.00 176.35 177.45 1dmr s ALA 759 N -1.03 -0.68 0.19 4.21 0.00 0.22 -4.79 121.76 119.88 1dmr s ALA 759 Ca 0.15 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.49 1dmr s ALA 759 Cb -0.10 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1dmr s ALA 759 CO 0.07 -0.97 -0.15 -2.00 0.00 0.00 0.00 175.76 172.70 1dmr s GLU 760 N -2.99 1.84 -0.02 0.00 2.56 -0.38 -2.11 118.70 117.60 1dmr s GLU 760 Ca 0.16 -1.40 0.04 0.00 0.00 0.00 0.00 54.97 53.77 1dmr s GLU 760 Cb -0.05 -2.02 -0.01 0.00 2.00 0.00 0.00 34.13 34.06 1dmr s GLU 760 CO 0.11 0.41 -0.15 0.08 -0.56 0.00 0.00 175.26 175.15 1dmr s VAL 761 N -1.77 1.21 0.02 3.70 1.01 -1.26 -1.21 120.40 122.10 1dmr s VAL 761 Ca 0.24 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1dmr s VAL 761 Cb -0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1dmr s VAL 761 CO 0.13 0.35 0.00 -1.83 0.00 0.00 0.00 175.10 173.76 1dmr s GLU 762 N -0.14 0.35 0.27 2.72 -1.05 -0.86 -5.00 118.70 114.99 1dmr s GLU 762 Ca 0.01 -0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 53.95 1dmr s GLU 762 Cb -0.08 0.13 -0.11 0.00 -0.44 0.00 0.00 34.13 33.63 1dmr s GLU 762 CO 0.00 -0.07 1.52 0.21 0.95 0.00 0.00 175.26 177.88 1dmr s LYS 763 N -1.51 4.20 -0.23 -4.83 2.20 -1.26 -0.64 119.74 117.66 1dmr s LYS 763 Ca -0.15 2.44 -0.26 0.00 -0.36 0.00 0.00 55.97 57.64 1dmr s LYS 763 Cb -0.09 -3.07 -0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1dmr s LYS 763 CO -0.01 -0.53 0.88 -0.47 -0.36 0.00 0.00 175.35 174.87 1dmr s TYR 764 N 0.01 3.33 0.00 4.03 5.04 -0.38 -4.68 117.35 124.70 1dmr s TYR 764 Ca 0.61 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 56.48 1dmr s TYR 764 Cb -0.45 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 38.76 1dmr s TYR 764 CO 0.45 -0.40 0.65 0.25 -1.34 0.00 0.00 175.55 175.16 1dmr n THR 765 N 5.22 0.32 -0.56 4.34 -2.24 -1.26 -4.85 114.28 115.25 1dmr n THR 765 Ca 0.07 -0.64 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1dmr n THR 765 Cb 0.47 0.87 0.09 0.00 -2.10 0.00 0.00 70.33 69.66 1dmr n THR 765 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dmr n GLY 766 N -0.16 -2.83 3.74 3.38 0.00 -1.26 -4.97 105.19 103.09 1dmr n GLY 766 Ca 0.00 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 1dmr n GLY 766 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dmr n PRO 767 N -2.81 1.66 -1.70 1.61 -0.02 -1.26 -4.93 135.00 127.55 1dmr n PRO 767 Ca 0.05 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 1dmr n PRO 767 Cb 0.21 -2.56 0.06 0.00 -0.02 0.00 0.00 33.50 31.19 1dmr n PRO 767 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dmr n ALA 768 N -1.07 0.92 -2.46 3.55 0.00 -1.26 -5.01 120.51 115.18 1dmr n ALA 768 Ca 0.11 0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.29 1dmr n ALA 768 Cb 0.45 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 1dmr n ALA 768 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dmr s VAL 769 N -1.41 1.83 -0.18 0.00 0.11 -1.26 -5.13 120.40 114.36 1dmr s VAL 769 Ca 0.81 -1.40 -0.06 0.00 -2.93 0.00 0.00 61.98 58.40 1dmr s VAL 769 Cb -0.39 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 1dmr s VAL 769 CO 0.42 0.14 0.01 -0.89 -3.33 0.00 0.00 175.10 171.46 1dmr s THR 770 N -0.94 4.23 0.07 5.04 2.01 -1.26 -5.09 115.64 119.71 1dmr s THR 770 Ca 0.09 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1dmr s THR 770 Cb -0.09 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1dmr s THR 770 CO 0.03 0.45 0.96 -0.76 -0.69 0.00 0.00 174.62 174.62 1dmr s LEU 771 N 0.62 4.46 0.00 4.42 1.43 -1.26 -4.93 118.68 123.41 1dmr s LEU 771 Ca 0.00 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1dmr s LEU 771 Cb -0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1dmr s LEU 771 CO 0.02 -0.12 0.50 0.35 0.23 0.00 0.00 176.35 177.32 1dmr n THR 772 N 3.14 0.15 0.82 5.49 -2.24 -1.26 -4.78 114.28 115.60 1dmr n THR 772 Ca 0.03 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1dmr n THR 772 Cb 0.50 1.08 0.51 0.00 -2.10 0.00 0.00 70.33 70.32 1dmr n THR 772 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dmr n GLY 773 N -0.07 -1.59 1.05 3.38 0.00 -1.26 -3.80 105.19 102.89 1dmr n GLY 773 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1dmr n GLY 773 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dmr n PHE 774 N -1.86 1.02 -4.34 1.61 3.72 -1.26 -4.91 117.46 111.45 1dmr n PHE 774 Ca 0.06 -0.72 -0.20 0.00 -0.05 0.00 0.00 57.45 56.55 1dmr n PHE 774 Cb 0.38 -0.25 -0.13 0.00 -0.94 0.00 0.00 39.48 38.55 1dmr n PHE 774 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1dmr s VAL 775 N -2.17 1.06 0.77 -4.37 -7.23 -1.25 -4.44 120.40 102.78 1dmr s VAL 775 Ca 0.40 -0.97 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 1dmr s VAL 775 Cb 0.29 -0.96 0.06 0.00 0.56 0.00 0.00 36.38 36.33 1dmr s VAL 775 CO 0.14 -0.01 1.14 0.00 -0.31 0.00 0.00 175.10 176.06 1dmr s ALA 776 N -0.85 2.06 0.33 1.32 0.00 -1.24 -4.94 121.76 118.44 1dmr s ALA 776 Ca 0.01 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 1dmr s ALA 776 Cb -0.08 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1dmr s ALA 776 CO 0.01 -1.95 1.17 -2.30 0.00 0.00 0.00 175.76 172.69 1dmr n PRO 777 N -3.26 1.80 -0.26 0.00 -0.02 -1.26 -4.88 135.00 127.12 1dmr n PRO 777 Ca 0.11 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 1dmr n PRO 777 Cb 0.52 -2.14 0.17 0.00 -0.02 0.00 0.00 33.50 32.03 1dmr n PRO 777 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1dmr h LYS 778 N 2.28 0.11 0.00 -0.52 1.57 -1.92 0.12 116.57 118.21 1dmr h LYS 778 Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1dmr h LYS 778 Cb 1.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1dmr h LYS 778 CO 0.61 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 179.57 1dmr n ALA 779 N -2.92 1.52 0.69 3.86 0.00 -1.26 -2.81 120.51 119.58 1dmr n ALA 779 Ca 0.14 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1dmr n ALA 779 Cb 0.49 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.84 1dmr n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dmr n ALA 780 N -1.77 2.46 1.75 0.00 0.00 0.03 -4.71 120.51 118.26 1dmr n ALA 780 Ca 0.01 -0.81 0.14 0.00 0.00 0.00 0.00 53.44 52.79 1dmr n ALA 780 Cb 0.18 -0.95 0.83 0.00 0.00 0.00 0.00 19.45 19.52 1dmr n ALA 780 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89