#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmr s ALA 4 N 0.00 2.76 -0.13 -1.18 0.00 -1.26 -4.66 121.76 117.29 2dmr s ALA 4 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.82 2dmr s ALA 4 Cb 0.00 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.78 2dmr s ALA 4 CO 0.00 -0.84 0.30 -0.80 0.00 0.00 0.00 175.76 174.42 2dmr s ASN 5 N -1.56 -0.07 0.00 0.00 0.01 -1.26 -0.94 114.94 111.12 2dmr s ASN 5 Ca 0.71 0.66 0.00 0.00 -0.71 0.00 0.00 52.86 53.52 2dmr s ASN 5 Cb -0.27 0.68 0.00 0.00 0.41 0.00 0.00 41.25 42.06 2dmr s ASN 5 CO 0.32 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 2dmr n GLY 6 N 4.79 -0.51 2.92 0.66 0.00 -1.14 -5.00 105.19 106.91 2dmr n GLY 6 Ca -0.16 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2dmr n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmr s THR 7 N -3.12 0.01 -0.02 2.61 -4.23 -1.26 -2.03 115.64 107.60 2dmr s THR 7 Ca 0.00 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 2dmr s THR 7 Cb 0.00 -0.09 0.02 0.00 1.34 0.00 0.00 72.50 73.77 2dmr s THR 7 CO 0.00 -0.04 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.34 2dmr s VAL 8 N -0.09 0.25 -0.03 2.29 1.01 -0.88 -4.95 120.40 118.01 2dmr s VAL 8 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2dmr s VAL 8 Cb -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 2dmr s VAL 8 CO 0.00 0.13 0.31 -0.32 0.00 0.00 0.00 175.10 175.23 2dmr s MET 9 N 0.65 3.72 0.00 2.72 1.75 -1.26 0.54 119.30 127.43 2dmr s MET 9 Ca -0.07 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.54 2dmr s MET 9 Cb -0.10 -3.17 0.00 0.00 2.84 0.00 0.00 34.83 34.40 2dmr s MET 9 CO -0.01 0.70 0.00 0.45 -0.65 0.00 0.00 175.02 175.51 2dmr n SER 10 N 1.69 0.00 -3.38 1.11 2.88 -0.59 -3.63 113.62 111.70 2dmr n SER 10 Ca -0.15 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.34 2dmr n SER 10 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 2dmr n SER 10 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmr s GLY 11 N 0.00 0.09 0.00 0.46 0.00 -1.26 -1.28 107.32 105.33 2dmr s GLY 11 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2dmr s GLY 11 CO 0.00 0.64 0.00 -1.14 0.00 0.00 0.00 173.10 172.60 2dmr n SER 12 N -1.01 0.00 0.13 1.64 3.41 -0.22 -4.99 113.62 112.59 2dmr n SER 12 Ca -0.06 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.39 2dmr n SER 12 Cb 0.60 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.98 2dmr n SER 12 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2dmr h HIS 13 N 0.29 0.00 0.00 7.33 3.86 -1.86 -3.20 115.15 121.56 2dmr h HIS 13 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2dmr h HIS 13 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2dmr h HIS 13 CO 0.00 0.00 -1.43 0.91 0.86 0.00 0.00 177.93 178.27 2dmr n TRP 14 N -2.37 0.00 -0.62 2.45 8.01 -1.26 -0.48 117.44 123.17 2dmr n TRP 14 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 2dmr n TRP 14 Cb 0.36 -0.22 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 2dmr n TRP 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2dmr n GLY 15 N 1.40 -0.47 3.79 6.99 0.00 -1.21 -4.44 105.19 111.24 2dmr n GLY 15 Ca 0.00 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2dmr n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmr s VAL 16 N -1.79 4.97 0.29 1.61 1.01 -1.26 -1.05 120.40 124.18 2dmr s VAL 16 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.93 2dmr s VAL 16 Cb 0.00 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2dmr s VAL 16 CO 0.00 0.48 0.46 0.72 0.00 0.00 0.00 175.10 176.76 2dmr s PHE 17 N -0.51 0.72 -0.12 5.22 -0.12 -0.40 -1.59 117.98 121.17 2dmr s PHE 17 Ca 0.27 -1.03 0.03 0.00 -0.05 0.00 0.00 56.93 56.15 2dmr s PHE 17 Cb -0.17 0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 2dmr s PHE 17 CO 0.15 -1.04 -0.22 0.99 -0.05 0.00 0.00 175.22 175.04 2dmr s THR 18 N -3.56 1.98 0.18 -4.49 2.01 0.26 -1.55 115.64 110.47 2dmr s THR 18 Ca 0.27 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2dmr s THR 18 Cb 0.00 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 2dmr s THR 18 CO 0.14 0.54 0.44 0.00 -0.69 0.00 0.00 174.62 175.05 2dmr s ALA 19 N 0.63 3.72 -0.26 7.40 0.00 0.19 -0.23 121.76 133.21 2dmr s ALA 19 Ca -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 2dmr s ALA 19 Cb -0.16 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.75 2dmr s ALA 19 CO 0.03 0.59 -0.01 0.99 0.00 0.00 0.00 175.76 177.35 2dmr s THR 20 N -1.74 3.31 -0.17 0.00 2.01 -0.33 -2.07 115.64 116.65 2dmr s THR 20 Ca 0.43 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 2dmr s THR 20 Cb -0.12 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 2dmr s THR 20 CO 0.24 0.20 0.09 -0.69 -0.69 0.00 0.00 174.62 173.77 2dmr s VAL 21 N 1.41 5.07 -0.20 3.82 1.01 -0.86 0.21 120.40 130.86 2dmr s VAL 21 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 2dmr s VAL 21 Cb -0.16 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.00 2dmr s VAL 21 CO -0.02 0.50 -0.04 -1.61 0.00 0.00 0.00 175.10 173.93 2dmr s GLU 22 N -0.02 1.36 -1.44 2.72 2.02 -0.07 -2.88 118.70 120.38 2dmr s GLU 22 Ca 0.08 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.28 2dmr s GLU 22 Cb -0.12 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 31.89 2dmr s GLU 22 CO 0.00 -0.54 1.05 0.09 0.02 0.00 0.00 175.26 175.88 2dmr n ASN 23 N 4.83 -5.71 0.00 -0.19 3.02 -0.11 -2.21 115.26 114.89 2dmr n ASN 23 Ca -0.11 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 2dmr n ASN 23 Cb 0.46 -4.52 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 2dmr n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dmr n GLY 24 N -1.83 0.56 3.07 7.41 0.00 -0.61 -4.65 105.19 109.15 2dmr n GLY 24 Ca 0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2dmr n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dmr s ARG 25 N -0.28 1.86 -0.23 1.61 3.52 -0.94 -4.71 118.95 119.78 2dmr s ARG 25 Ca 0.00 -0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 2dmr s ARG 25 Cb 0.00 -1.53 -0.02 0.00 -1.56 0.00 0.00 34.95 31.84 2dmr s ARG 25 CO 0.00 0.10 1.51 0.00 -0.81 0.00 0.00 175.30 176.10 2dmr s ALA 26 N 0.47 3.34 -0.10 6.12 0.00 -1.26 -0.89 121.76 129.44 2dmr s ALA 26 Ca -0.12 0.39 0.20 0.00 0.00 0.00 0.00 51.96 52.43 2dmr s ALA 26 Cb -0.15 -3.81 -0.29 0.00 0.00 0.00 0.00 23.12 18.87 2dmr s ALA 26 CO 0.04 -1.82 0.37 0.25 0.00 0.00 0.00 175.76 174.60 2dmr n THR 27 N 6.24 0.53 -3.69 0.00 -2.24 0.13 -4.97 114.28 110.28 2dmr n THR 27 Ca 0.17 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 2dmr n THR 27 Cb 0.45 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 2dmr n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmr s ALA 28 N -3.15 -0.92 -0.22 6.98 0.00 -1.23 -4.97 121.76 118.25 2dmr s ALA 28 Ca -0.08 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2dmr s ALA 28 Cb 0.11 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.58 2dmr s ALA 28 CO 0.88 -0.42 -0.07 -0.06 0.00 0.00 0.00 175.76 176.09 2dmr s PHE 29 N -2.32 2.39 -0.11 0.00 0.40 -1.26 -1.19 117.98 115.89 2dmr s PHE 29 Ca -0.06 -1.70 -0.02 0.00 -0.60 0.00 0.00 56.93 54.54 2dmr s PHE 29 Cb -0.01 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 2dmr s PHE 29 CO -0.01 -0.76 -0.02 0.99 0.70 0.00 0.00 175.22 176.11 2dmr s THR 30 N 1.40 4.10 0.67 0.64 2.01 0.68 -4.85 115.64 120.29 2dmr s THR 30 Ca -0.05 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 2dmr s THR 30 Cb -0.18 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2dmr s THR 30 CO -0.07 0.55 1.17 -2.16 -0.69 0.00 0.00 174.62 173.43 2dmr s PRO 31 N -0.34 2.61 0.58 4.92 0.04 -1.26 0.89 135.00 142.45 2dmr s PRO 31 Ca 0.06 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 2dmr s PRO 31 Cb -0.12 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2dmr s PRO 31 CO 0.02 -1.45 1.25 1.87 0.04 0.00 0.00 177.00 178.73 2dmr n TRP 32 N -2.29 1.86 0.13 0.56 -0.00 -0.62 -4.69 117.44 112.39 2dmr n TRP 32 Ca 0.12 0.43 -0.02 0.00 -0.00 0.00 0.00 57.50 58.04 2dmr n TRP 32 Cb 0.51 -2.28 0.16 0.00 -0.00 0.00 0.00 31.31 29.69 2dmr n TRP 32 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 2dmr h GLU 33 N 0.97 0.02 -0.09 5.87 4.11 -1.93 -2.75 114.58 120.78 2dmr h GLU 33 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2dmr h GLU 33 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2dmr h GLU 33 CO 0.55 0.64 0.00 1.63 0.07 0.00 0.00 179.01 181.90 2dmr n LYS 34 N -3.80 1.53 -2.47 1.06 5.02 -1.26 -4.80 118.16 113.44 2dmr n LYS 34 Ca -0.01 -0.79 -0.43 0.00 -2.02 0.00 0.00 58.31 55.06 2dmr n LYS 34 Cb 0.62 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 34.21 2dmr n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dmr s ASP 35 N -1.70 6.59 0.37 4.39 -1.08 -1.04 -4.89 116.67 119.30 2dmr s ASP 35 Ca 0.34 0.88 0.27 0.00 -0.52 0.00 0.00 52.55 53.52 2dmr s ASP 35 Cb 0.18 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.31 2dmr s ASP 35 CO 0.28 -1.21 1.82 1.55 0.52 0.00 0.00 175.17 178.12 2dmr h PRO 36 N 9.58 0.00 -0.90 4.34 0.13 -1.87 -3.38 132.00 139.90 2dmr h PRO 36 Ca -0.25 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.73 2dmr h PRO 36 Cb 1.09 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 2dmr h PRO 36 CO 1.07 0.00 -0.47 1.58 -0.23 0.00 0.00 178.00 179.95 2dmr n HIS 37 N -2.51 -3.69 -1.11 1.56 -0.00 -1.26 -4.96 115.22 103.27 2dmr n HIS 37 Ca 0.01 -1.36 -0.34 0.00 0.46 0.00 0.00 57.72 56.50 2dmr n HIS 37 Cb 0.20 1.48 0.13 0.00 -0.12 0.00 0.00 29.99 31.68 2dmr n HIS 37 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2dmr n PRO 38 N 2.84 0.18 -3.62 1.57 -0.05 -1.26 -4.95 135.00 129.70 2dmr n PRO 38 Ca 0.17 0.13 -0.36 0.00 -0.05 0.00 0.00 63.50 63.39 2dmr n PRO 38 Cb 0.57 -2.39 -0.07 0.00 -0.05 0.00 0.00 33.50 31.56 2dmr n PRO 38 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 2dmr s SER 39 N -2.08 6.43 0.47 3.54 0.15 -1.26 -4.98 113.70 115.97 2dmr s SER 39 Ca 0.73 0.51 0.30 0.00 0.70 0.00 0.00 55.95 58.19 2dmr s SER 39 Cb -0.29 -2.16 1.66 0.00 -1.71 0.00 0.00 66.02 63.52 2dmr s SER 39 CO 0.52 0.19 1.93 -0.65 1.20 0.00 0.00 173.24 176.43 2dmr h PRO 40 N 6.14 0.00 0.00 5.44 0.11 -1.97 -2.28 132.00 139.44 2dmr h PRO 40 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dmr h PRO 40 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2dmr h PRO 40 CO 0.71 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.17 2dmr n MET 41 N -2.59 0.06 -0.30 1.05 2.81 -1.26 -4.05 117.12 112.83 2dmr n MET 41 Ca -0.02 0.12 0.09 0.00 -1.81 0.00 0.00 57.70 56.07 2dmr n MET 41 Cb 0.08 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.33 2dmr n MET 41 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dmr h LEU 42 N 0.00 0.53 -1.22 4.03 3.38 -1.79 -0.67 115.31 119.57 2dmr h LEU 42 Ca 0.00 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2dmr h LEU 42 Cb 0.35 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2dmr h LEU 42 CO 0.00 0.20 0.56 0.00 0.09 0.00 0.00 178.44 179.29 2dmr h ALA 43 N 1.59 1.62 -0.49 1.53 0.00 -1.86 -1.83 119.26 119.82 2dmr h ALA 43 Ca 0.49 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.29 2dmr h ALA 43 Cb 0.74 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2dmr h ALA 43 CO -0.39 0.22 -0.09 0.78 0.00 0.00 0.00 179.25 179.77 2dmr h GLY 44 N 0.89 0.97 0.73 0.00 0.00 -1.39 -2.47 103.07 101.80 2dmr h GLY 44 Ca 0.39 -0.74 0.05 0.00 0.00 0.00 0.00 47.33 47.02 2dmr h GLY 44 CO -0.15 0.68 0.38 -2.08 0.00 0.00 0.00 176.54 175.37 2dmr h VAL 45 N 0.81 1.00 -0.13 4.60 2.07 -1.11 -0.71 116.25 122.78 2dmr h VAL 45 Ca 0.13 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2dmr h VAL 45 Cb 0.61 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2dmr h VAL 45 CO 0.04 0.13 0.06 0.25 0.02 0.00 0.00 177.57 178.07 2dmr h LEU 46 N 0.72 0.18 -1.18 2.57 5.85 -1.36 -2.98 115.31 119.10 2dmr h LEU 46 Ca 0.29 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.98 2dmr h LEU 46 Cb 0.14 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2dmr h LEU 46 CO -0.16 0.27 0.59 -0.78 -0.34 0.00 0.00 178.44 178.02 2dmr h ASP 47 N 0.07 0.79 0.00 1.25 3.58 -1.04 -2.07 116.42 118.99 2dmr h ASP 47 Ca 0.04 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2dmr h ASP 47 Cb 0.15 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2dmr h ASP 47 CO -0.00 0.43 0.04 0.77 -2.88 0.00 0.00 179.24 177.59 2dmr h SER 48 N 0.85 0.00 -0.30 2.28 4.64 -0.97 0.19 113.55 120.25 2dmr h SER 48 Ca 0.45 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.59 2dmr h SER 48 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2dmr h SER 48 CO -0.21 0.00 -0.50 0.40 -0.87 0.00 0.00 176.83 175.65 2dmr h ILE 49 N 0.00 1.28 -0.00 0.95 2.04 -1.49 -3.38 117.51 116.91 2dmr h ILE 49 Ca 0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 2dmr h ILE 49 Cb 0.08 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2dmr h ILE 49 CO 0.00 0.55 -0.19 -1.22 0.00 0.00 0.00 178.15 177.29 2dmr n TYR 50 N -4.05 0.00 -0.67 1.37 4.01 -0.67 -4.94 117.16 112.21 2dmr n TYR 50 Ca -0.04 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.39 2dmr n TYR 50 Cb 0.60 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.80 2dmr n TYR 50 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2dmr n SER 51 N -0.61 -1.01 0.23 7.72 3.41 0.59 -4.87 113.62 119.08 2dmr n SER 51 Ca 0.02 0.23 0.16 0.00 -0.26 0.00 0.00 58.87 59.02 2dmr n SER 51 Cb 0.13 -1.31 0.75 0.00 -0.26 0.00 0.00 64.21 63.52 2dmr n SER 51 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2dmr h PRO 52 N -1.98 0.00 -0.60 4.33 0.11 -1.88 -2.39 132.00 129.59 2dmr h PRO 52 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2dmr h PRO 52 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2dmr h PRO 52 CO 0.40 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.44 2dmr n THR 53 N -2.65 1.24 -2.30 -1.15 -2.24 -1.26 -3.79 114.28 102.13 2dmr n THR 53 Ca -0.01 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.54 2dmr n THR 53 Cb 0.15 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 2dmr n THR 53 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2dmr s ARG 54 N -1.73 4.40 -0.18 -0.78 6.06 -0.90 0.67 118.95 126.49 2dmr s ARG 54 Ca 0.36 1.92 -0.25 0.00 -2.50 0.00 0.00 55.73 55.26 2dmr s ARG 54 Cb 0.23 -3.28 -0.01 0.00 0.06 0.00 0.00 34.95 31.95 2dmr s ARG 54 CO 0.18 -0.29 0.85 0.42 -2.50 0.00 0.00 175.30 173.95 2dmr s ILE 55 N 0.78 4.86 -0.16 4.11 1.01 -0.32 -4.86 121.20 126.61 2dmr s ILE 55 Ca 0.59 1.66 -0.13 0.00 0.00 0.00 0.00 60.65 62.77 2dmr s ILE 55 Cb -0.33 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 2dmr s ILE 55 CO 0.32 0.00 -0.04 0.29 0.00 0.00 0.00 174.94 175.51 2dmr n LYS 56 N 5.38 0.49 -4.42 2.79 5.02 -1.26 -4.71 118.16 121.45 2dmr n LYS 56 Ca 0.05 0.55 -0.24 0.00 -2.02 0.00 0.00 58.31 56.65 2dmr n LYS 56 Cb 0.48 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 2dmr n LYS 56 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2dmr s TYR 57 N -2.28 2.41 0.15 2.13 2.02 -1.26 -1.76 117.35 118.75 2dmr s TYR 57 Ca -0.20 -0.30 -0.31 0.00 -0.37 0.00 0.00 57.07 55.89 2dmr s TYR 57 Cb 0.03 -1.05 -0.10 0.00 -0.40 0.00 0.00 41.96 40.44 2dmr s TYR 57 CO 0.35 0.69 1.60 -2.14 -1.57 0.00 0.00 175.55 174.48 2dmr s PRO 58 N -3.54 4.20 0.01 -1.71 0.02 -1.26 -4.48 135.00 128.24 2dmr s PRO 58 Ca 0.30 2.38 0.06 0.00 0.02 0.00 0.00 61.00 63.77 2dmr s PRO 58 Cb -0.05 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 2dmr s PRO 58 CO 0.16 -0.65 -0.20 -1.64 -0.33 0.00 0.00 177.00 174.35 2dmr s MET 59 N 1.46 1.49 -0.08 5.54 -1.94 0.47 -2.33 119.30 123.91 2dmr s MET 59 Ca 0.71 -0.78 0.04 0.00 -1.71 0.00 0.00 55.69 53.96 2dmr s MET 59 Cb -0.44 -1.50 0.00 0.00 2.01 0.00 0.00 34.83 34.91 2dmr s MET 59 CO 0.32 0.40 -0.21 0.08 -0.01 0.00 0.00 175.02 175.60 2dmr s VAL 60 N -0.58 1.76 0.07 -6.03 1.01 -0.19 -0.93 120.40 115.51 2dmr s VAL 60 Ca 0.07 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 60.87 2dmr s VAL 60 Cb -0.08 -1.53 -0.11 0.00 0.00 0.00 0.00 36.38 34.66 2dmr s VAL 60 CO 0.00 0.50 1.86 -1.14 0.00 0.00 0.00 175.10 176.32 2dmr n ARG 61 N 3.45 2.66 -0.22 2.72 0.63 0.23 0.40 116.66 126.54 2dmr n ARG 61 Ca -0.20 0.97 0.01 0.00 -0.92 0.00 0.00 57.85 57.72 2dmr n ARG 61 Cb 0.53 -2.87 0.09 0.00 0.45 0.00 0.00 32.46 30.66 2dmr n ARG 61 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2dmr h ARG 62 N 9.01 0.05 -0.68 -0.14 2.43 -1.46 0.13 114.38 123.73 2dmr h ARG 62 Ca -0.48 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.80 2dmr h ARG 62 Cb 1.24 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.70 2dmr h ARG 62 CO 0.94 0.03 0.27 0.93 -1.51 0.00 0.00 179.97 180.63 2dmr h GLU 63 N 0.05 0.43 -0.03 0.20 3.07 -1.90 -2.64 114.58 113.76 2dmr h GLU 63 Ca 0.33 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.98 2dmr h GLU 63 Cb 0.54 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2dmr h GLU 63 CO -0.62 0.29 -0.78 0.35 -1.40 0.00 0.00 179.01 176.84 2dmr h PHE 64 N 0.44 0.40 0.00 4.33 3.57 -1.14 -2.64 116.94 121.90 2dmr h PHE 64 Ca 0.35 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2dmr h PHE 64 Cb 0.47 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2dmr h PHE 64 CO -0.16 0.96 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.78 2dmr h LEU 65 N 0.18 -0.06 0.06 0.59 3.38 -0.79 -1.64 115.31 117.04 2dmr h LEU 65 Ca -0.04 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.69 2dmr h LEU 65 Cb 1.37 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2dmr h LEU 65 CO 0.13 -0.03 -1.25 -0.33 0.09 0.00 0.00 178.44 177.05 2dmr h GLU 66 N -0.04 0.13 -0.00 1.13 5.08 -1.53 -3.40 114.58 115.95 2dmr h GLU 66 Ca 0.01 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2dmr h GLU 66 Cb 0.05 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2dmr h GLU 66 CO -0.02 1.04 -0.01 1.63 -1.00 0.00 0.00 179.01 180.65 2dmr n LYS 67 N -3.40 -0.14 0.00 2.33 5.02 -1.00 -5.07 118.16 115.91 2dmr n LYS 67 Ca -0.07 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 2dmr n LYS 67 Cb 1.00 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2dmr n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dmr n GLY 68 N 0.18 2.88 0.11 0.72 0.00 -0.62 -0.60 105.19 107.85 2dmr n GLY 68 Ca 0.01 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2dmr n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dmr n VAL 69 N 0.00 0.90 0.02 1.61 0.24 -1.26 -1.71 118.33 118.13 2dmr n VAL 69 Ca 0.00 0.28 0.08 0.00 -2.04 0.00 0.00 64.34 62.66 2dmr n VAL 69 Cb 0.00 -1.19 0.27 0.00 -1.47 0.00 0.00 33.84 31.45 2dmr n VAL 69 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dmr n ASN 70 N -2.11 3.48 -4.81 -1.34 3.02 0.23 -4.99 115.26 108.74 2dmr n ASN 70 Ca 0.02 -2.21 -0.32 0.00 -0.03 0.00 0.00 54.58 52.04 2dmr n ASN 70 Cb 0.20 -0.45 0.02 0.00 -0.61 0.00 0.00 39.78 38.93 2dmr n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dmr s ALA 71 N -1.57 2.74 -0.26 5.41 0.00 -0.69 -4.94 121.76 122.44 2dmr s ALA 71 Ca 0.39 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 2dmr s ALA 71 Cb 0.23 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 2dmr s ALA 71 CO 0.21 -0.89 1.29 0.34 0.00 0.00 0.00 175.76 176.72 2dmr s ASP 72 N -3.05 6.75 0.00 0.00 2.15 -1.26 -4.89 116.67 116.37 2dmr s ASP 72 Ca 0.62 1.37 0.30 0.00 0.43 0.00 0.00 52.55 55.26 2dmr s ASP 72 Cb -0.15 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.34 2dmr s ASP 72 CO 0.41 -0.98 1.96 0.54 -0.17 0.00 0.00 175.17 176.93 2dmr n ARG 73 N 7.09 1.08 0.16 4.34 1.74 -1.26 -3.67 116.66 126.13 2dmr n ARG 73 Ca 0.15 -0.36 0.12 0.00 -0.77 0.00 0.00 57.85 56.99 2dmr n ARG 73 Cb 0.46 -1.49 0.26 0.00 -1.02 0.00 0.00 32.46 30.67 2dmr n ARG 73 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2dmr h SER 74 N 0.88 0.00 0.02 0.55 4.64 -1.95 -3.26 113.55 114.42 2dmr h SER 74 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2dmr h SER 74 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2dmr h SER 74 CO 0.00 0.01 -0.04 0.35 -0.87 0.00 0.00 176.83 176.27 2dmr n THR 75 N -2.66 0.00 -1.59 2.95 -2.24 -1.24 -4.33 114.28 105.16 2dmr n THR 75 Ca 0.04 -0.25 -0.48 0.00 -2.27 0.00 0.00 64.05 61.09 2dmr n THR 75 Cb 0.48 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 2dmr n THR 75 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dmr n ARG 76 N 0.15 1.30 -0.00 -0.78 1.74 -1.23 -1.85 116.66 115.99 2dmr n ARG 76 Ca 0.17 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 2dmr n ARG 76 Cb 0.38 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 2dmr n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dmr n GLY 77 N 1.98 0.11 0.01 -0.13 0.00 -1.00 -4.87 105.19 101.28 2dmr n GLY 77 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 2dmr n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dmr n ASN 78 N 0.00 0.06 0.00 1.61 6.94 -0.77 -4.80 115.26 118.30 2dmr n ASN 78 Ca 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 2dmr n ASN 78 Cb 0.00 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 2dmr n ASN 78 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dmr n GLY 79 N 1.44 0.75 3.54 4.83 0.00 -1.26 -4.99 105.19 109.50 2dmr n GLY 79 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2dmr n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dmr n ASP 80 N 0.00 5.00 -4.69 1.61 -0.08 -1.26 -4.70 116.55 112.43 2dmr n ASP 80 Ca 0.00 -2.93 -0.32 0.00 -1.51 0.00 0.00 54.79 50.02 2dmr n ASP 80 Cb 0.00 -1.71 -0.09 0.00 2.34 0.00 0.00 41.12 41.67 2dmr n ASP 80 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2dmr s PHE 81 N 3.58 3.08 -0.20 -0.67 0.08 -1.26 -1.16 117.98 121.43 2dmr s PHE 81 Ca 0.51 0.08 -0.06 0.00 0.12 0.00 0.00 56.93 57.59 2dmr s PHE 81 Cb 0.02 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2dmr s PHE 81 CO 0.06 0.47 0.02 0.08 -0.10 0.00 0.00 175.22 175.74 2dmr s VAL 82 N -1.11 4.11 0.22 -0.44 1.01 0.16 -4.78 120.40 119.57 2dmr s VAL 82 Ca 0.20 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2dmr s VAL 82 Cb -0.12 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 2dmr s VAL 82 CO 0.11 0.42 1.23 -0.60 0.00 0.00 0.00 175.10 176.26 2dmr s ARG 83 N 0.98 4.47 0.17 2.72 3.52 -1.26 -1.02 118.95 128.52 2dmr s ARG 83 Ca 0.02 1.96 0.03 0.00 -0.13 0.00 0.00 55.73 57.61 2dmr s ARG 83 Cb -0.14 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 2dmr s ARG 83 CO 0.02 -0.10 -0.05 0.14 -0.81 0.00 0.00 175.30 174.50 2dmr s VAL 84 N -0.31 0.97 0.72 7.11 -7.23 -0.99 -4.93 120.40 115.75 2dmr s VAL 84 Ca 0.52 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 2dmr s VAL 84 Cb -0.34 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 34.60 2dmr s VAL 84 CO 0.40 -0.60 1.07 -0.94 -0.31 0.00 0.00 175.10 174.72 2dmr s SER 85 N -3.19 5.20 0.26 4.85 1.04 -1.26 -4.42 113.70 116.18 2dmr s SER 85 Ca 0.21 1.49 -0.05 0.00 0.48 0.00 0.00 55.95 58.08 2dmr s SER 85 Cb 0.04 -2.34 0.32 0.00 0.10 0.00 0.00 66.02 64.14 2dmr s SER 85 CO 0.03 -1.54 1.91 -0.50 0.98 0.00 0.00 173.24 174.12 2dmr h TRP 86 N -0.79 1.23 -0.60 5.02 4.06 -1.99 -2.03 115.95 120.86 2dmr h TRP 86 Ca -0.45 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.53 2dmr h TRP 86 Cb 1.23 -0.41 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 2dmr h TRP 86 CO 0.57 0.72 0.35 -0.44 -3.56 0.00 0.00 178.44 176.08 2dmr h ASP 87 N 1.28 0.73 0.52 -3.49 3.32 -1.99 -0.67 116.42 116.11 2dmr h ASP 87 Ca 0.39 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2dmr h ASP 87 Cb -0.02 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.35 2dmr h ASP 87 CO -0.12 0.59 -0.25 1.56 -1.72 0.00 0.00 179.24 179.30 2dmr h GLN 88 N 0.81 -0.67 -0.70 3.56 4.20 -1.83 -2.35 115.11 118.13 2dmr h GLN 88 Ca 0.21 0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.09 2dmr h GLN 88 Cb 0.00 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 27.85 2dmr h GLN 88 CO -0.04 -0.41 0.28 0.00 -0.67 0.00 0.00 178.83 178.00 2dmr h ALA 89 N -0.34 0.95 -0.56 3.87 0.00 -1.15 -0.92 119.26 121.11 2dmr h ALA 89 Ca -0.07 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2dmr h ALA 89 Cb 0.57 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2dmr h ALA 89 CO 0.12 -0.18 0.05 -0.07 0.00 0.00 0.00 179.25 179.17 2dmr h LEU 90 N 0.45 0.92 -0.55 0.00 3.38 -1.12 -0.71 115.31 117.69 2dmr h LEU 90 Ca 0.37 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2dmr h LEU 90 Cb 0.51 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2dmr h LEU 90 CO -0.35 0.97 0.30 0.44 0.09 0.00 0.00 178.44 179.89 2dmr h ASP 91 N 0.84 0.44 0.29 -0.43 3.32 -0.77 -2.27 116.42 117.84 2dmr h ASP 91 Ca 0.17 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2dmr h ASP 91 Cb 0.47 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2dmr h ASP 91 CO 0.02 0.30 -0.14 0.25 -1.72 0.00 0.00 179.24 177.95 2dmr h LEU 92 N 0.57 -0.32 -0.47 1.55 5.85 -0.90 -1.74 115.31 119.85 2dmr h LEU 92 Ca 0.24 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2dmr h LEU 92 Cb 0.12 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2dmr h LEU 92 CO -0.15 -0.14 0.22 0.58 -0.34 0.00 0.00 178.44 178.61 2dmr h VAL 93 N -0.49 0.94 -0.34 1.05 2.07 -0.96 -0.47 116.25 118.05 2dmr h VAL 93 Ca -0.04 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2dmr h VAL 93 Cb 0.37 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2dmr h VAL 93 CO 0.06 0.08 0.01 0.00 0.02 0.00 0.00 177.57 177.75 2dmr h ALA 94 N 1.26 0.46 -0.11 1.67 0.00 -1.47 0.84 119.26 121.91 2dmr h ALA 94 Ca 0.21 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dmr h ALA 94 Cb 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2dmr h ALA 94 CO -0.16 0.20 -0.11 0.00 0.00 0.00 0.00 179.25 179.18 2dmr h ALA 95 N 0.87 -0.02 -0.61 0.00 0.00 -1.05 -0.55 119.26 117.89 2dmr h ALA 95 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2dmr h ALA 95 Cb 0.43 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2dmr h ALA 95 CO 0.01 -0.56 0.25 0.93 0.00 0.00 0.00 179.25 179.89 2dmr h GLU 96 N -0.13 0.91 -0.08 0.00 4.39 -0.99 0.19 114.58 118.87 2dmr h GLU 96 Ca 0.08 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.63 2dmr h GLU 96 Cb 0.24 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2dmr h GLU 96 CO -0.19 0.77 0.01 0.28 -1.16 0.00 0.00 179.01 178.71 2dmr h VAL 97 N 0.85 0.96 -0.34 3.13 2.07 -0.56 -2.38 116.25 119.99 2dmr h VAL 97 Ca 0.21 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2dmr h VAL 97 Cb 0.19 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2dmr h VAL 97 CO -0.02 0.01 0.02 0.50 0.02 0.00 0.00 177.57 178.10 2dmr h LYS 98 N 0.04 0.51 -0.60 1.57 1.63 -0.87 -1.67 116.57 117.19 2dmr h LYS 98 Ca 0.04 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2dmr h LYS 98 Cb 0.03 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2dmr h LYS 98 CO -0.05 0.53 0.27 -0.09 -3.45 0.00 0.00 179.45 176.66 2dmr h ARG 99 N 0.49 0.87 -0.00 1.90 2.43 -0.69 -0.30 114.38 119.08 2dmr h ARG 99 Ca 0.11 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2dmr h ARG 99 Cb 0.30 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2dmr h ARG 99 CO 0.01 0.71 -0.79 0.28 -1.51 0.00 0.00 179.97 178.67 2dmr h VAL 100 N 0.82 1.53 -0.14 0.20 2.07 -1.15 -1.83 116.25 117.74 2dmr h VAL 100 Ca 0.20 -2.59 -0.22 0.00 0.82 0.00 0.00 66.70 64.91 2dmr h VAL 100 Cb 0.14 2.41 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2dmr h VAL 100 CO -0.02 0.75 -0.77 -0.33 0.02 0.00 0.00 177.57 177.21 2dmr h GLU 101 N 0.04 0.73 -0.25 1.57 4.39 -1.04 0.34 114.58 120.35 2dmr h GLU 101 Ca -0.02 -0.60 -0.16 0.00 0.34 0.00 0.00 59.36 58.93 2dmr h GLU 101 Cb 1.38 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 2dmr h GLU 101 CO 0.11 1.21 -0.45 0.93 -1.16 0.00 0.00 179.01 179.64 2dmr h GLU 102 N 0.50 0.76 0.06 2.33 4.39 -1.05 -1.89 114.58 119.67 2dmr h GLU 102 Ca -0.05 -0.47 -0.09 0.00 0.34 0.00 0.00 59.36 59.08 2dmr h GLU 102 Cb 1.39 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 30.11 2dmr h GLU 102 CO 0.16 1.10 -0.40 1.15 -1.16 0.00 0.00 179.01 179.86 2dmr h THR 103 N 0.50 1.63 0.00 1.13 2.02 -1.40 -3.41 112.91 113.38 2dmr h THR 103 Ca 0.02 -2.35 -0.05 0.00 0.77 0.00 0.00 66.41 64.79 2dmr h THR 103 Cb 1.06 3.19 -0.01 0.00 -1.74 0.00 0.00 68.15 70.65 2dmr h THR 103 CO 0.10 0.64 -1.92 -1.22 0.37 0.00 0.00 175.52 173.50 2dmr n TYR 104 N -4.38 0.00 -1.09 3.16 4.01 0.07 -5.07 117.16 113.86 2dmr n TYR 104 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2dmr n TYR 104 Cb 0.63 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2dmr n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dmr n GLY 105 N 1.51 -2.23 0.19 2.72 0.00 -0.71 -4.17 105.19 102.50 2dmr n GLY 105 Ca -0.08 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.11 2dmr n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmr h PRO 106 N 0.00 0.03 0.00 1.61 0.13 -1.81 -2.15 132.00 129.81 2dmr h PRO 106 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2dmr h PRO 106 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dmr h PRO 106 CO 0.00 0.36 0.00 0.93 -0.23 0.00 0.00 178.00 179.06 2dmr h GLU 107 N 0.03 0.00 -0.00 0.86 3.07 -1.89 -2.61 114.58 114.04 2dmr h GLU 107 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2dmr h GLU 107 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2dmr h GLU 107 CO 0.04 0.00 -0.31 0.41 -1.40 0.00 0.00 179.01 177.76 2dmr n GLY 108 N -0.75 -1.14 3.37 -3.84 0.00 -0.81 -3.80 105.19 98.23 2dmr n GLY 108 Ca -0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2dmr n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmr s VAL 109 N -2.83 3.80 -0.35 1.61 1.01 -0.98 -0.99 120.40 121.67 2dmr s VAL 109 Ca 0.17 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 2dmr s VAL 109 Cb 0.18 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2dmr s VAL 109 CO 0.60 0.39 0.30 0.12 0.00 0.00 0.00 175.10 176.51 2dmr s PHE 110 N 1.52 3.22 -0.19 5.22 5.36 0.43 0.05 117.98 133.59 2dmr s PHE 110 Ca 0.06 -0.18 0.13 0.00 -0.96 0.00 0.00 56.93 55.97 2dmr s PHE 110 Cb -0.15 -2.58 0.43 0.00 -0.34 0.00 0.00 43.02 40.38 2dmr s PHE 110 CO -0.00 -0.43 1.21 0.41 -1.46 0.00 0.00 175.22 174.95 2dmr n GLY 111 N 5.05 4.72 0.29 13.12 0.00 0.39 -2.11 105.19 126.65 2dmr n GLY 111 Ca -0.11 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 2dmr n GLY 111 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dmr h GLY 112 N 1.16 1.07 -6.73 -0.02 0.00 -1.83 -3.46 103.07 93.26 2dmr h GLY 112 Ca 0.01 -0.77 -0.51 0.00 0.00 0.00 0.00 47.33 46.05 2dmr h GLY 112 CO 0.10 0.71 -1.00 -1.26 0.00 0.00 0.00 176.54 175.09 2dmr n SER 113 N -4.25 -4.70 -4.75 0.19 2.88 -1.26 -4.77 113.62 96.95 2dmr n SER 113 Ca 0.02 -1.09 -0.41 0.00 -1.33 0.00 0.00 58.87 56.06 2dmr n SER 113 Cb 0.32 -2.00 -0.03 0.00 -0.75 0.00 0.00 64.21 61.76 2dmr n SER 113 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2dmr s TYR 114 N -3.28 3.37 0.00 0.66 5.04 -1.26 -4.76 117.35 117.11 2dmr s TYR 114 Ca 0.28 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 2dmr s TYR 114 Cb -0.14 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.70 2dmr s TYR 114 CO 0.92 -1.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 2dmr n GLY 115 N 1.72 1.81 0.04 8.97 0.00 -1.26 -4.06 105.19 112.41 2dmr n GLY 115 Ca 0.02 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.48 2dmr n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dmr n TRP 116 N -0.45 0.00 0.00 1.61 7.02 -1.11 -4.84 117.44 119.67 2dmr n TRP 116 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2dmr n TRP 116 Cb 0.00 -0.27 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 2dmr n TRP 116 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 2dmr n LYS 117 N -1.21 0.00 -3.89 -0.99 2.85 -0.28 -4.74 118.16 109.89 2dmr n LYS 117 Ca 0.13 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.28 2dmr n LYS 117 Cb 0.27 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.55 2dmr n LYS 117 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2dmr s SER 118 N -2.01 0.07 0.89 -5.58 0.01 -1.26 -5.06 113.70 100.76 2dmr s SER 118 Ca 0.00 -0.26 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 2dmr s SER 118 Cb 0.00 0.18 0.13 0.00 0.21 0.00 0.00 66.02 66.54 2dmr s SER 118 CO 0.00 -0.35 1.11 -2.84 0.41 0.00 0.00 173.24 171.58 2dmr s PRO 119 N -1.36 1.28 0.00 12.44 0.02 -1.26 -4.83 135.00 141.29 2dmr s PRO 119 Ca -0.15 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2dmr s PRO 119 Cb -0.08 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2dmr s PRO 119 CO 0.01 -2.37 0.00 0.41 -0.33 0.00 0.00 177.00 174.72 2dmr n GLY 120 N -0.34 3.82 0.19 0.52 0.00 -1.26 -4.90 105.19 103.22 2dmr n GLY 120 Ca 0.10 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.43 2dmr n GLY 120 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dmr h ARG 121 N 0.00 0.00 0.00 1.61 2.47 -1.46 -3.32 114.38 113.68 2dmr h ARG 121 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 2dmr h ARG 121 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2dmr h ARG 121 CO 0.00 0.00 -1.02 -0.11 0.56 0.00 0.00 179.97 179.40 2dmr n LEU 122 N -2.84 1.88 -2.84 3.04 7.94 -1.26 -1.92 117.00 121.00 2dmr n LEU 122 Ca 0.04 0.47 -0.29 0.00 -1.11 0.00 0.00 56.01 55.12 2dmr n LEU 122 Cb 0.48 -0.83 -0.07 0.00 0.53 0.00 0.00 43.42 43.53 2dmr n LEU 122 CO 0.32 -0.18 2.49 1.41 -1.11 0.00 0.00 177.39 180.32 2dmr n HIS 123 N -4.49 1.61 -3.11 1.96 8.25 -1.26 -4.77 115.22 113.41 2dmr n HIS 123 Ca -0.19 -2.43 -0.45 0.00 -0.26 0.00 0.00 57.72 54.40 2dmr n HIS 123 Cb 0.48 -1.98 -0.03 0.00 1.12 0.00 0.00 29.99 29.58 2dmr n HIS 123 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2dmr s ASN 124 N 1.61 6.45 0.19 0.41 3.84 -1.25 -4.80 114.94 121.39 2dmr s ASN 124 Ca 0.65 -1.91 -0.12 0.00 0.21 0.00 0.00 52.86 51.69 2dmr s ASN 124 Cb 0.25 -2.31 0.13 0.00 -0.55 0.00 0.00 41.25 38.77 2dmr s ASN 124 CO -0.07 -0.97 1.82 0.00 -2.79 0.00 0.00 177.10 175.09 2dmr h THR 126 N 0.68 1.26 -0.48 0.00 1.35 -1.91 0.80 112.91 114.62 2dmr h THR 126 Ca 0.23 -1.06 -0.13 0.00 -0.55 0.00 0.00 66.41 64.90 2dmr h THR 126 Cb 0.02 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 2dmr h THR 126 CO -0.10 0.39 -0.22 0.74 -0.25 0.00 0.00 175.52 176.08 2dmr h THR 127 N 0.94 1.27 -0.82 6.82 2.02 -1.90 -2.88 112.91 118.37 2dmr h THR 127 Ca 0.18 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 2dmr h THR 127 Cb 0.47 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2dmr h THR 127 CO 0.02 0.48 0.48 -0.07 0.37 0.00 0.00 175.52 176.80 2dmr h LEU 128 N 0.85 0.98 -0.76 2.58 3.38 -0.52 -1.59 115.31 120.25 2dmr h LEU 128 Ca 0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2dmr h LEU 128 Cb 0.80 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2dmr h LEU 128 CO 0.07 0.76 -0.09 0.25 0.09 0.00 0.00 178.44 179.53 2dmr h LEU 129 N 1.13 0.84 -0.91 1.67 5.85 -0.72 -2.34 115.31 120.83 2dmr h LEU 129 Ca 0.29 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 2dmr h LEU 129 Cb -0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2dmr h LEU 129 CO -0.05 0.96 -0.46 0.03 -0.34 0.00 0.00 178.44 178.58 2dmr h ARG 130 N 0.78 0.00 0.20 1.25 3.08 -1.22 0.17 114.38 118.63 2dmr h ARG 130 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2dmr h ARG 130 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2dmr h ARG 130 CO 0.04 0.46 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.21 2dmr h ARG 131 N 0.00 -0.26 -0.30 0.04 2.43 -0.95 0.22 114.38 115.56 2dmr h ARG 131 Ca -0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2dmr h ARG 131 Cb 0.94 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2dmr h ARG 131 CO 0.06 -0.02 0.08 1.98 -1.51 0.00 0.00 179.97 180.56 2dmr h MET 132 N -0.47 0.47 -0.27 0.20 4.05 -1.27 -2.85 114.93 114.79 2dmr h MET 132 Ca -0.03 -0.11 0.01 0.00 -0.28 0.00 0.00 59.70 59.29 2dmr h MET 132 Cb 0.36 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2dmr h MET 132 CO 0.05 0.53 0.18 -0.07 0.23 0.00 0.00 176.91 177.83 2dmr h LEU 133 N 0.31 0.29 -0.98 3.39 3.38 -0.86 0.07 115.31 120.92 2dmr h LEU 133 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2dmr h LEU 133 Cb 0.27 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2dmr h LEU 133 CO -0.00 0.21 0.33 0.74 0.09 0.00 0.00 178.44 179.81 2dmr h THR 134 N 0.34 1.24 0.00 0.22 2.02 -0.32 -1.63 112.91 114.79 2dmr h THR 134 Ca 0.10 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 2dmr h THR 134 Cb -0.01 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2dmr h THR 134 CO -0.02 0.29 -0.36 -0.07 0.37 0.00 0.00 175.52 175.73 2dmr h LEU 135 N 1.05 0.00 -0.15 2.58 3.38 -0.89 -3.13 115.31 118.15 2dmr h LEU 135 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2dmr h LEU 135 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2dmr h LEU 135 CO -0.03 0.36 -0.06 0.00 0.09 0.00 0.00 178.44 178.80 2dmr n ALA 136 N -2.35 2.67 0.00 1.53 0.00 -0.77 -4.89 120.51 116.69 2dmr n ALA 136 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2dmr n ALA 136 Cb 0.45 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2dmr n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmr n GLY 137 N 1.25 1.47 0.00 0.00 0.00 -1.14 -4.88 105.19 101.89 2dmr n GLY 137 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2dmr n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmr n GLY 138 N 0.00 2.16 3.80 -0.02 0.00 -0.67 -4.58 105.19 105.89 2dmr n GLY 138 Ca 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.82 2dmr n GLY 138 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dmr s TYR 139 N -1.71 -0.23 -0.21 1.61 1.13 -1.26 -4.66 117.35 112.03 2dmr s TYR 139 Ca 0.00 -0.19 -0.10 0.00 -1.41 0.00 0.00 57.07 55.36 2dmr s TYR 139 Cb 0.00 0.69 -0.05 0.00 -1.10 0.00 0.00 41.96 41.50 2dmr s TYR 139 CO 0.00 -1.16 0.15 0.08 -2.51 0.00 0.00 175.55 172.11 2dmr s VAL 140 N -3.85 5.39 0.39 -3.49 1.01 0.11 -4.87 120.40 115.09 2dmr s VAL 140 Ca 0.10 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2dmr s VAL 140 Cb -0.05 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2dmr s VAL 140 CO 0.04 0.41 0.36 0.21 0.00 0.00 0.00 175.10 176.12 2dmr s ASN 141 N 0.57 5.16 0.14 3.32 3.84 0.08 -0.47 114.94 127.58 2dmr s ASN 141 Ca 0.09 -0.65 0.06 0.00 0.21 0.00 0.00 52.86 52.57 2dmr s ASN 141 Cb -0.12 -0.70 -0.04 0.00 -0.55 0.00 0.00 41.25 39.84 2dmr s ASN 141 CO 0.00 -0.57 0.02 -0.83 -2.79 0.00 0.00 177.10 172.94 2dmr s GLY 142 N -4.10 1.81 0.12 1.21 0.00 -1.26 -1.90 107.32 103.19 2dmr s GLY 142 Ca 0.46 -1.23 0.09 0.00 0.00 0.00 0.00 44.72 44.05 2dmr s GLY 142 CO 0.28 -1.23 -0.23 0.00 0.00 0.00 0.00 173.10 171.91 2dmr s ALA 143 N -1.55 2.07 0.00 3.20 0.00 0.18 -4.84 121.76 120.82 2dmr s ALA 143 Ca 0.27 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2dmr s ALA 143 Cb -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2dmr s ALA 143 CO 0.19 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.80 2dmr n GLY 144 N 0.97 -0.03 3.58 0.00 0.00 -1.26 -1.89 105.19 106.56 2dmr n GLY 144 Ca -0.19 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2dmr n GLY 144 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dmr s ASP 145 N -4.00 0.62 0.01 1.61 1.47 -1.26 -4.78 116.67 110.34 2dmr s ASP 145 Ca 0.00 -1.36 0.27 0.00 1.18 0.00 0.00 52.55 52.64 2dmr s ASP 145 Cb 0.00 0.70 0.84 0.00 -0.34 0.00 0.00 42.92 44.12 2dmr s ASP 145 CO 0.00 -1.38 1.65 -1.22 0.68 0.00 0.00 175.17 174.90 2dmr n TYR 146 N -0.54 0.07 0.03 2.11 4.02 -1.26 -3.04 117.16 118.54 2dmr n TYR 146 Ca -0.02 0.02 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 2dmr n TYR 146 Cb 0.61 -0.41 -0.14 0.00 -0.02 0.00 0.00 39.34 39.38 2dmr n TYR 146 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2dmr h SER 147 N 0.00 0.46 -0.15 7.72 0.02 -1.98 -3.41 113.55 116.22 2dmr h SER 147 Ca 0.00 -0.90 -0.16 0.00 -0.84 0.00 0.00 61.79 59.89 2dmr h SER 147 Cb 0.52 -0.15 -0.24 0.00 0.14 0.00 0.00 62.40 62.68 2dmr h SER 147 CO 0.00 1.74 -0.80 0.35 -1.14 0.00 0.00 176.83 176.98 2dmr n THR 148 N -3.71 1.39 -0.32 -2.27 -2.24 -1.26 -4.87 114.28 100.99 2dmr n THR 148 Ca -0.27 -2.57 0.15 0.00 -2.27 0.00 0.00 64.05 59.09 2dmr n THR 148 Cb 0.99 0.24 0.31 0.00 -2.10 0.00 0.00 70.33 69.78 2dmr n THR 148 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2dmr h GLY 149 N 1.34 1.36 0.00 3.38 0.00 -1.77 -0.47 103.07 106.91 2dmr h GLY 149 Ca -0.05 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2dmr h GLY 149 CO 0.16 -0.49 -0.24 0.00 0.00 0.00 0.00 176.54 175.97 2dmr h ALA 150 N 1.91 0.04 -0.94 3.60 0.00 -1.89 -3.39 119.26 118.59 2dmr h ALA 150 Ca 0.60 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2dmr h ALA 150 Cb 1.27 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 2dmr h ALA 150 CO -0.81 0.15 0.59 0.00 0.00 0.00 0.00 179.25 179.18 2dmr h ALA 151 N -0.37 1.33 0.00 0.00 0.00 -1.78 -2.38 119.26 116.06 2dmr h ALA 151 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2dmr h ALA 151 Cb 0.79 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dmr h ALA 151 CO -0.04 0.31 -0.07 -0.56 0.00 0.00 0.00 179.25 178.90 2dmr h GLN 152 N 1.04 0.00 0.11 0.00 3.07 -1.31 -0.86 115.11 117.16 2dmr h GLN 152 Ca 0.42 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.82 2dmr h GLN 152 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 2dmr h GLN 152 CO -0.20 0.07 -1.83 0.28 0.09 0.00 0.00 178.83 177.24 2dmr h VAL 153 N 0.00 0.80 0.02 1.86 2.07 -1.63 -3.39 116.25 115.97 2dmr h VAL 153 Ca -0.00 -2.50 -0.23 0.00 0.82 0.00 0.00 66.70 64.78 2dmr h VAL 153 Cb 0.47 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 2dmr h VAL 153 CO 0.01 0.81 -1.15 -0.29 0.02 0.00 0.00 177.57 176.97 2dmr h ILE 154 N 0.07 1.55 -0.23 4.57 6.09 -1.41 -3.36 117.51 124.78 2dmr h ILE 154 Ca -0.36 -3.26 0.04 0.00 -1.37 0.00 0.00 64.86 59.91 2dmr h ILE 154 Cb 2.04 2.79 -0.04 0.00 0.47 0.00 0.00 36.82 42.09 2dmr h ILE 154 CO 0.11 0.89 0.01 0.24 -3.07 0.00 0.00 178.15 176.33 2dmr h MET 155 N 0.01 0.08 -0.37 2.19 2.86 -1.35 -0.98 114.93 117.37 2dmr h MET 155 Ca -0.07 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.67 2dmr h MET 155 Cb 1.84 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.46 2dmr h MET 155 CO 0.13 0.05 0.34 -1.35 1.06 0.00 0.00 176.91 177.14 2dmr h PRO 156 N 0.08 0.00 0.00 -0.22 0.11 -1.65 0.34 132.00 130.67 2dmr h PRO 156 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 2dmr h PRO 156 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 2dmr h PRO 156 CO -0.18 0.00 -0.10 0.45 -0.21 0.00 0.00 178.00 177.96 2dmr h HIS 157 N 0.00 0.00 0.00 0.65 3.86 -1.37 -3.14 115.15 115.15 2dmr h HIS 157 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2dmr h HIS 157 Cb 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2dmr h HIS 157 CO 0.00 0.07 -0.91 0.28 0.86 0.00 0.00 177.93 178.23 2dmr n VAL 158 N -3.10 1.41 0.75 2.45 0.31 0.94 -4.68 118.33 116.40 2dmr n VAL 158 Ca 0.04 0.17 0.10 0.00 -0.01 0.00 0.00 64.34 64.63 2dmr n VAL 158 Cb 0.56 -2.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.09 2dmr n VAL 158 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2dmr n VAL 159 N -4.32 0.00 0.00 2.52 0.24 0.24 -2.16 118.33 114.85 2dmr n VAL 159 Ca -0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2dmr n VAL 159 Cb 0.47 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 2dmr n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dmr n GLY 160 N 1.44 2.19 3.26 7.63 0.00 -1.19 -4.16 105.19 114.37 2dmr n GLY 160 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2dmr n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmr s THR 161 N -2.10 0.06 0.20 2.61 -4.23 -1.26 -4.47 115.64 106.44 2dmr s THR 161 Ca 0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 2dmr s THR 161 Cb 0.00 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.50 2dmr s THR 161 CO 0.00 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.01 2dmr h LEU 162 N 2.36 -0.19 0.00 4.79 5.85 -1.88 -2.82 115.31 123.41 2dmr h LEU 162 Ca -0.31 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2dmr h LEU 162 Cb 1.24 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2dmr h LEU 162 CO 0.46 -0.07 0.00 1.21 -0.34 0.00 0.00 178.44 179.70 2dmr n GLU 163 N -5.23 0.00 0.08 1.25 4.07 -1.26 -4.61 120.64 114.94 2dmr n GLU 163 Ca 0.07 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.12 2dmr n GLU 163 Cb 0.31 -0.44 0.10 0.00 -0.06 0.00 0.00 31.44 31.35 2dmr n GLU 163 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 2dmr h VAL 164 N 0.00 1.40 -1.48 6.31 -1.51 -1.89 -3.25 116.25 115.82 2dmr h VAL 164 Ca 0.00 -2.05 -0.65 0.00 -1.23 0.00 0.00 66.70 62.77 2dmr h VAL 164 Cb 0.00 2.05 -0.36 0.00 -2.13 0.00 0.00 31.29 30.85 2dmr h VAL 164 CO 0.00 0.61 -0.04 -1.22 -1.23 0.00 0.00 177.57 175.68 2dmr n TYR 165 N -3.85 3.16 -4.21 5.19 4.01 -1.26 -4.48 117.16 115.73 2dmr n TYR 165 Ca -0.03 -2.73 -0.19 0.00 -0.16 0.00 0.00 57.90 54.80 2dmr n TYR 165 Cb 0.64 -0.60 -0.12 0.00 -0.31 0.00 0.00 39.34 38.95 2dmr n TYR 165 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2dmr s GLU 166 N -3.74 0.84 0.40 -0.72 2.02 -1.23 -5.11 118.70 111.16 2dmr s GLU 166 Ca 0.51 -0.90 -0.27 0.00 0.02 0.00 0.00 54.97 54.33 2dmr s GLU 166 Cb 0.43 -0.84 -0.10 0.00 0.10 0.00 0.00 34.13 33.71 2dmr s GLU 166 CO -0.20 0.19 1.45 0.94 0.02 0.00 0.00 175.26 177.66 2dmr n GLN 167 N 1.43 2.49 -3.00 1.61 -0.06 -1.26 -4.81 117.38 113.78 2dmr n GLN 167 Ca -0.20 0.88 -0.20 0.00 -2.00 0.00 0.00 57.00 55.47 2dmr n GLN 167 Cb 0.54 -2.62 0.01 0.00 -4.06 0.00 0.00 30.24 24.12 2dmr n GLN 167 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2dmr s GLN 168 N -2.18 2.88 0.19 3.69 -1.52 -1.26 -4.88 119.66 116.58 2dmr s GLN 168 Ca 0.56 -0.84 -0.33 0.00 -1.95 0.00 0.00 55.36 52.80 2dmr s GLN 168 Cb -0.48 -2.64 -0.13 0.00 -0.22 0.00 0.00 33.01 29.55 2dmr s GLN 168 CO 0.62 -0.32 1.67 2.41 -0.25 0.00 0.00 175.29 179.42 2dmr n THR 169 N -2.01 0.02 -1.63 -0.19 -1.04 -1.26 -4.52 114.28 103.66 2dmr n THR 169 Ca 0.04 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.66 2dmr n THR 169 Cb 0.59 -1.82 0.04 0.00 -1.82 0.00 0.00 70.33 67.32 2dmr n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmr n ALA 170 N 3.73 0.33 -0.02 2.41 0.00 -0.60 -4.68 120.51 121.69 2dmr n ALA 170 Ca 0.16 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.57 2dmr n ALA 170 Cb 0.33 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 2dmr n ALA 170 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2dmr h TRP 171 N 0.76 -0.42 -0.78 0.00 4.06 -0.98 -1.85 115.95 116.75 2dmr h TRP 171 Ca -0.48 0.03 0.15 0.00 2.06 0.00 0.00 58.89 60.65 2dmr h TRP 171 Cb 1.35 0.21 -0.10 0.00 -1.00 0.00 0.00 29.16 29.63 2dmr h TRP 171 CO 0.39 -0.24 0.31 -1.35 -3.56 0.00 0.00 178.44 173.99 2dmr h PRO 172 N -0.19 0.42 -0.73 0.49 0.11 -1.84 -0.10 132.00 130.16 2dmr h PRO 172 Ca 0.11 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.23 2dmr h PRO 172 Cb 0.35 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.32 2dmr h PRO 172 CO -0.28 0.28 0.45 0.28 -0.21 0.00 0.00 178.00 178.53 2dmr h VAL 173 N 0.43 1.08 -0.24 3.15 2.07 -1.54 -1.99 116.25 119.22 2dmr h VAL 173 Ca 0.43 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2dmr h VAL 173 Cb 0.69 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2dmr h VAL 173 CO -0.43 0.16 0.06 -0.07 0.02 0.00 0.00 177.57 177.31 2dmr h LEU 174 N 0.88 0.04 -0.59 2.57 3.38 -0.71 -1.89 115.31 118.97 2dmr h LEU 174 Ca 0.30 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.40 2dmr h LEU 174 Cb 0.05 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2dmr h LEU 174 CO -0.12 0.05 0.17 0.00 0.09 0.00 0.00 178.44 178.63 2dmr h ALA 175 N 1.16 0.73 0.00 1.53 0.00 -0.62 0.88 119.26 122.94 2dmr h ALA 175 Ca 0.11 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2dmr h ALA 175 Cb 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2dmr h ALA 175 CO -0.13 -0.26 -0.44 0.93 0.00 0.00 0.00 179.25 179.35 2dmr h GLU 176 N 0.32 0.00 0.00 0.00 4.39 -1.34 -3.42 114.58 114.54 2dmr h GLU 176 Ca 0.31 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.89 2dmr h GLU 176 Cb 0.42 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2dmr h GLU 176 CO -0.35 0.44 -1.43 0.09 -1.16 0.00 0.00 179.01 176.60 2dmr n ASN 177 N -3.23 3.46 -4.75 1.42 3.02 -0.72 -5.05 115.26 109.41 2dmr n ASN 177 Ca 0.02 -0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2dmr n ASN 177 Cb 0.70 0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 40.19 2dmr n ASN 177 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dmr s THR 178 N -2.15 2.78 -0.18 3.41 2.01 0.25 -4.82 115.64 116.94 2dmr s THR 178 Ca -0.06 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.70 2dmr s THR 178 Cb 0.02 -3.44 -0.15 0.00 0.01 0.00 0.00 72.50 68.93 2dmr s THR 178 CO 0.22 0.13 -0.08 -0.62 -0.69 0.00 0.00 174.62 173.58 2dmr n GLU 179 N 1.76 0.92 -4.33 4.92 1.02 0.39 -4.87 120.64 120.44 2dmr n GLU 179 Ca 0.04 0.06 -0.27 0.00 -0.02 0.00 0.00 57.16 56.97 2dmr n GLU 179 Cb 0.41 -1.39 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 2dmr n GLU 179 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2dmr s VAL 180 N -2.38 1.29 -0.25 2.62 1.01 -0.70 -2.37 120.40 119.62 2dmr s VAL 180 Ca -0.18 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2dmr s VAL 180 Cb 0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2dmr s VAL 180 CO 0.52 0.40 0.04 -0.32 0.00 0.00 0.00 175.10 175.75 2dmr s MET 181 N 1.10 3.50 -0.23 2.72 1.75 0.93 -1.39 119.30 127.69 2dmr s MET 181 Ca -0.05 -0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 53.78 2dmr s MET 181 Cb -0.14 -3.25 -0.00 0.00 2.84 0.00 0.00 34.83 34.27 2dmr s MET 181 CO -0.02 -0.23 -0.05 0.08 -0.65 0.00 0.00 175.02 174.15 2dmr s VAL 182 N 1.56 3.25 -0.58 10.11 1.01 -0.18 -0.03 120.40 135.55 2dmr s VAL 182 Ca 0.06 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2dmr s VAL 182 Cb -0.15 -2.51 0.12 0.00 0.00 0.00 0.00 36.38 33.83 2dmr s VAL 182 CO 0.02 0.37 0.62 -0.36 0.00 0.00 0.00 175.10 175.76 2dmr s PHE 183 N 1.45 3.13 -0.53 5.22 0.08 0.40 -0.46 117.98 127.26 2dmr s PHE 183 Ca 0.05 -1.14 -0.17 0.00 0.12 0.00 0.00 56.93 55.79 2dmr s PHE 183 Cb -0.15 -3.92 0.10 0.00 -0.57 0.00 0.00 43.02 38.48 2dmr s PHE 183 CO -0.04 -1.17 0.54 -0.46 -0.10 0.00 0.00 175.22 173.99 2dmr s TRP 184 N 2.15 3.16 -0.93 0.36 -0.11 0.67 -1.53 118.94 122.70 2dmr s TRP 184 Ca 0.08 -1.03 -0.03 0.00 1.22 0.00 0.00 56.10 56.34 2dmr s TRP 184 Cb -0.26 -3.68 0.00 0.00 -1.50 0.00 0.00 33.47 28.03 2dmr s TRP 184 CO 0.04 -1.04 0.79 0.00 -4.62 0.00 0.00 176.95 172.12 2dmr n ALA 185 N 5.63 -1.23 -3.16 5.86 0.00 -0.54 0.07 120.51 127.14 2dmr n ALA 185 Ca -0.12 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2dmr n ALA 185 Cb 0.42 -2.98 -0.12 0.00 0.00 0.00 0.00 19.45 16.78 2dmr n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmr s ALA 186 N -3.25 -0.59 -0.59 0.00 0.00 -1.26 -2.70 121.76 113.37 2dmr s ALA 186 Ca 0.20 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.91 2dmr s ALA 186 Cb -0.09 -0.41 0.19 0.00 0.00 0.00 0.00 23.12 22.81 2dmr s ALA 186 CO 0.53 -0.12 0.49 -3.47 0.00 0.00 0.00 175.76 173.19 2dmr n ASP 187 N 3.03 1.91 0.22 0.00 2.03 -1.26 -4.94 116.55 117.55 2dmr n ASP 187 Ca -0.13 -2.97 0.05 0.00 0.52 0.00 0.00 54.79 52.26 2dmr n ASP 187 Cb 0.58 -0.68 0.51 0.00 -0.72 0.00 0.00 41.12 40.81 2dmr n ASP 187 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dmr h PRO 188 N 5.18 0.03 -0.54 -0.67 0.13 -1.91 -1.26 132.00 132.96 2dmr h PRO 188 Ca 0.18 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 2dmr h PRO 188 Cb 0.79 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 2dmr h PRO 188 CO 0.62 0.18 0.27 0.82 -0.23 0.00 0.00 178.00 179.65 2dmr h ILE 189 N 0.03 1.19 -0.02 -3.56 2.04 -1.94 -2.25 117.51 112.99 2dmr h ILE 189 Ca 0.00 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2dmr h ILE 189 Cb 0.28 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2dmr h ILE 189 CO 0.02 0.21 -0.07 0.50 0.00 0.00 0.00 178.15 178.82 2dmr h LYS 190 N 0.72 0.09 0.00 2.37 3.64 -1.86 -3.37 116.57 118.15 2dmr h LYS 190 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2dmr h LYS 190 Cb 0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2dmr h LYS 190 CO -0.03 0.67 -0.18 0.25 -2.27 0.00 0.00 179.45 177.90 2dmr n THR 191 N -4.71 0.10 1.42 1.00 -2.24 -0.52 -3.73 114.28 105.60 2dmr n THR 191 Ca -0.09 -0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.74 2dmr n THR 191 Cb 0.34 -0.28 0.42 0.00 -2.10 0.00 0.00 70.33 68.71 2dmr n THR 191 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dmr n SER 192 N -1.64 1.24 0.16 3.42 7.64 -0.85 -4.00 113.62 119.60 2dmr n SER 192 Ca 0.06 -1.64 0.02 0.00 1.01 0.00 0.00 58.87 58.32 2dmr n SER 192 Cb 0.36 -0.08 0.34 0.00 -1.01 0.00 0.00 64.21 63.82 2dmr n SER 192 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2dmr h GLN 193 N 1.65 0.07 -5.87 1.43 4.20 -1.78 -3.44 115.11 111.36 2dmr h GLN 193 Ca 0.00 -0.03 -0.61 0.00 0.06 0.00 0.00 58.65 58.08 2dmr h GLN 193 Cb 0.36 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.02 2dmr h GLN 193 CO 0.00 0.41 -0.61 0.96 -0.67 0.00 0.00 178.83 178.91 2dmr s ILE 194 N -4.27 2.28 0.06 2.54 -5.25 -1.26 -4.56 121.20 110.75 2dmr s ILE 194 Ca -0.03 -2.01 -0.00 0.00 -0.99 0.00 0.00 60.65 57.61 2dmr s ILE 194 Cb 0.14 -2.84 -0.04 0.00 2.95 0.00 0.00 42.46 42.67 2dmr s ILE 194 CO 0.73 -0.11 -0.04 -0.83 -1.79 0.00 0.00 174.94 172.90 2dmr s GLY 195 N -3.71 0.55 0.05 6.27 0.00 0.37 -4.28 107.32 106.57 2dmr s GLY 195 Ca 0.35 -1.25 -0.19 0.00 0.00 0.00 0.00 44.72 43.64 2dmr s GLY 195 CO 0.19 -1.35 1.32 -0.25 0.00 0.00 0.00 173.10 173.00 2dmr h TRP 196 N 3.10 0.58 -5.92 1.90 2.91 -1.92 -3.42 115.95 113.18 2dmr h TRP 196 Ca -0.34 -0.20 -0.44 0.00 1.13 0.00 0.00 58.89 59.03 2dmr h TRP 196 Cb 1.15 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.68 2dmr h TRP 196 CO 0.54 0.90 -0.13 1.33 -1.03 0.00 0.00 178.44 180.05 2dmr n VAL 197 N -4.40 0.00 -1.68 2.65 0.24 -1.26 -4.53 118.33 109.34 2dmr n VAL 197 Ca -0.06 -1.72 -0.45 0.00 -2.04 0.00 0.00 64.34 60.07 2dmr n VAL 197 Cb 0.45 -0.38 -0.04 0.00 -1.47 0.00 0.00 33.84 32.40 2dmr n VAL 197 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2dmr n ILE 198 N -1.86 0.35 -2.93 1.34 2.08 -0.74 -4.75 119.36 112.85 2dmr n ILE 198 Ca 0.07 -0.06 -0.34 0.00 0.56 0.00 0.00 62.75 62.98 2dmr n ILE 198 Cb 0.51 -1.91 -0.07 0.00 -0.75 0.00 0.00 39.64 37.43 2dmr n ILE 198 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2dmr s PRO 199 N 2.71 4.21 -0.01 0.38 0.04 -1.26 0.31 135.00 141.37 2dmr s PRO 199 Ca 0.84 0.99 0.19 0.00 0.04 0.00 0.00 61.00 63.07 2dmr s PRO 199 Cb -0.59 -2.38 -0.23 0.00 0.04 0.00 0.00 34.50 31.34 2dmr s PRO 199 CO 0.42 0.09 0.69 -0.85 0.04 0.00 0.00 177.00 177.40 2dmr n GLU 200 N -0.31 0.77 -3.00 4.56 0.00 -1.26 -4.63 120.64 116.77 2dmr n GLU 200 Ca 0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 2dmr n GLU 200 Cb 0.53 -1.40 0.04 0.00 0.00 0.00 0.00 31.44 30.61 2dmr n GLU 200 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2dmr n HIS 201 N -1.63 -1.54 0.24 -1.84 8.25 -1.26 -4.53 115.22 112.91 2dmr n HIS 201 Ca 0.02 0.51 0.09 0.00 -0.26 0.00 0.00 57.72 58.08 2dmr n HIS 201 Cb 0.35 -3.32 0.62 0.00 1.12 0.00 0.00 29.99 28.76 2dmr n HIS 201 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2dmr h GLY 202 N -1.35 0.00 1.65 -1.41 0.00 -1.91 -3.13 103.07 96.92 2dmr h GLY 202 Ca -0.33 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2dmr h GLY 202 CO 0.34 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.90 2dmr h ALA 203 N 1.84 1.49 0.10 3.60 0.00 -1.90 -3.23 119.26 121.15 2dmr h ALA 203 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2dmr h ALA 203 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2dmr h ALA 203 CO 0.02 0.37 -0.17 1.88 0.00 0.00 0.00 179.25 181.36 2dmr h TYR 204 N 0.44 -0.43 -0.76 0.00 0.05 -1.93 0.32 116.97 114.65 2dmr h TYR 204 Ca 0.10 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.91 2dmr h TYR 204 Cb 0.25 0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 2dmr h TYR 204 CO 0.01 -0.25 0.49 -1.35 -1.05 0.00 0.00 178.16 176.01 2dmr h PRO 205 N -0.32 0.96 -0.17 4.88 0.11 -1.78 -0.86 132.00 134.82 2dmr h PRO 205 Ca 0.02 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.10 2dmr h PRO 205 Cb 0.34 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 2dmr h PRO 205 CO -0.09 0.63 0.03 0.78 -0.21 0.00 0.00 178.00 179.14 2dmr h GLY 206 N 0.98 0.18 1.71 -0.55 0.00 -1.43 0.08 103.07 104.05 2dmr h GLY 206 Ca 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 2dmr h GLY 206 CO -0.09 -0.01 0.07 1.41 0.00 0.00 0.00 176.54 177.92 2dmr h LEU 207 N 0.09 0.33 -0.30 3.11 3.38 0.05 -2.32 115.31 119.66 2dmr h LEU 207 Ca 0.08 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2dmr h LEU 207 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2dmr h LEU 207 CO -0.11 0.34 -0.86 -0.33 0.09 0.00 0.00 178.44 177.58 2dmr h GLU 208 N 0.37 0.18 -0.63 1.13 5.08 -0.50 -2.86 114.58 117.36 2dmr h GLU 208 Ca 0.09 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2dmr h GLU 208 Cb 0.14 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2dmr h GLU 208 CO -0.00 0.94 0.20 0.00 -1.00 0.00 0.00 179.01 179.14 2dmr h ALA 209 N 1.00 1.16 -0.01 3.43 0.00 -0.47 -0.66 119.26 123.71 2dmr h ALA 209 Ca -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dmr h ALA 209 Cb 1.49 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dmr h ALA 209 CO 0.13 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.90 2dmr h LEU 210 N 0.93 0.01 -0.89 0.00 3.38 -1.36 -1.54 115.31 115.84 2dmr h LEU 210 Ca 0.21 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2dmr h LEU 210 Cb 0.26 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2dmr h LEU 210 CO -0.01 0.17 0.34 0.50 0.09 0.00 0.00 178.44 179.53 2dmr h LYS 211 N -0.16 1.14 -0.52 1.13 3.64 -1.28 -2.42 116.57 118.12 2dmr h LYS 211 Ca 0.00 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 2dmr h LYS 211 Cb 0.17 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2dmr h LYS 211 CO -0.00 0.91 -0.02 0.00 -2.27 0.00 0.00 179.45 178.06 2dmr h ALA 212 N 1.24 0.98 0.00 5.00 0.00 -1.02 -2.56 119.26 122.91 2dmr h ALA 212 Ca 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dmr h ALA 212 Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2dmr h ALA 212 CO -0.03 0.62 -0.02 0.87 0.00 0.00 0.00 179.25 180.70 2dmr h LYS 213 N 0.82 0.00 0.00 0.00 1.79 -0.80 -3.47 116.57 114.92 2dmr h LYS 213 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2dmr h LYS 213 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2dmr h LYS 213 CO 0.03 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 178.82 2dmr n GLY 214 N -0.61 1.24 3.49 3.86 0.00 -0.97 -5.02 105.19 107.19 2dmr n GLY 214 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2dmr n GLY 214 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dmr n THR 215 N -2.00 1.90 -2.88 2.61 -1.04 -1.22 -4.92 114.28 106.73 2dmr n THR 215 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 2dmr n THR 215 Cb 0.00 -0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 2dmr n THR 215 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2dmr s LYS 216 N -1.51 4.48 -0.14 -2.82 2.20 -1.00 -4.86 119.74 116.09 2dmr s LYS 216 Ca 0.62 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.37 2dmr s LYS 216 Cb -0.68 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.17 2dmr s LYS 216 CO 0.58 -0.03 -0.15 0.08 -0.36 0.00 0.00 175.35 175.48 2dmr s VAL 217 N 1.03 2.76 -0.15 4.02 1.01 -1.26 -0.05 120.40 127.77 2dmr s VAL 217 Ca 0.44 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2dmr s VAL 217 Cb -0.19 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 2dmr s VAL 217 CO 0.22 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 175.06 2dmr s ILE 218 N 0.63 2.71 -0.20 2.22 1.01 0.96 -2.64 121.20 125.89 2dmr s ILE 218 Ca -0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 2dmr s ILE 218 Cb -0.16 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2dmr s ILE 218 CO 0.03 0.51 -0.00 -0.69 0.00 0.00 0.00 174.94 174.79 2dmr s VAL 219 N 0.77 3.87 -0.49 2.92 1.01 0.59 -0.46 120.40 128.60 2dmr s VAL 219 Ca -0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2dmr s VAL 219 Cb -0.15 -2.75 0.13 0.00 0.00 0.00 0.00 36.38 33.60 2dmr s VAL 219 CO 0.01 0.42 0.32 -0.63 0.00 0.00 0.00 175.10 175.21 2dmr s ILE 220 N 1.10 3.66 -0.11 2.22 1.01 -0.58 -0.39 121.20 128.11 2dmr s ILE 220 Ca 0.02 -2.26 -0.30 0.00 0.00 0.00 0.00 60.65 58.11 2dmr s ILE 220 Cb -0.14 -3.45 0.08 0.00 0.01 0.00 0.00 42.46 38.96 2dmr s ILE 220 CO 0.01 -0.77 0.75 -0.62 0.00 0.00 0.00 174.94 174.31 2dmr s ASP 221 N 1.70 -0.62 0.57 3.58 -1.08 -0.22 -1.47 116.67 119.12 2dmr s ASP 221 Ca 0.10 0.78 0.35 0.00 -0.52 0.00 0.00 52.55 53.27 2dmr s ASP 221 Cb -0.22 0.65 1.54 0.00 -1.46 0.00 0.00 42.92 43.43 2dmr s ASP 221 CO -0.03 -0.50 2.05 1.55 0.52 0.00 0.00 175.17 178.76 2dmr h PRO 222 N 3.27 0.00 -6.10 4.34 0.13 -1.79 -3.38 132.00 128.47 2dmr h PRO 222 Ca -0.26 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.21 2dmr h PRO 222 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 2dmr h PRO 222 CO 0.32 0.02 -0.62 0.08 -0.23 0.00 0.00 178.00 177.56 2dmr s VAL 223 N -3.77 4.35 -1.10 1.56 1.01 -1.26 -2.60 120.40 118.59 2dmr s VAL 223 Ca -0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2dmr s VAL 223 Cb 0.10 -2.96 0.11 0.00 0.00 0.00 0.00 36.38 33.63 2dmr s VAL 223 CO 0.53 0.37 1.41 -0.60 0.00 0.00 0.00 175.10 176.80 2dmr s ARG 224 N -1.62 3.80 0.87 2.72 3.52 -0.62 -4.99 118.95 122.64 2dmr s ARG 224 Ca 0.21 -1.86 -0.15 0.00 -0.13 0.00 0.00 55.73 53.80 2dmr s ARG 224 Cb -0.12 -5.19 0.20 0.00 -1.56 0.00 0.00 34.95 28.28 2dmr s ARG 224 CO 0.11 -1.98 1.18 0.25 -0.81 0.00 0.00 175.30 174.06 2dmr n THR 225 N 5.81 0.00 0.10 4.11 -2.24 -1.26 -4.91 114.28 115.89 2dmr n THR 225 Ca 0.34 -0.87 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 2dmr n THR 225 Cb 0.47 -1.56 0.13 0.00 -2.10 0.00 0.00 70.33 67.27 2dmr n THR 225 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2dmr h LYS 226 N 0.00 0.16 -0.70 -0.78 3.64 -1.98 -2.21 116.57 114.70 2dmr h LYS 226 Ca -0.38 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2dmr h LYS 226 Cb 1.06 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2dmr h LYS 226 CO 0.27 0.73 0.44 1.15 -2.27 0.00 0.00 179.45 179.77 2dmr h THR 227 N 0.11 1.10 -0.38 1.00 2.02 -1.93 0.43 112.91 115.27 2dmr h THR 227 Ca -0.01 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 2dmr h THR 227 Cb 1.13 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2dmr h THR 227 CO 0.09 0.16 0.08 0.58 0.37 0.00 0.00 175.52 176.80 2dmr h VAL 228 N 0.87 1.23 -0.46 3.16 2.07 -1.87 -3.08 116.25 118.17 2dmr h VAL 228 Ca 0.28 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 2dmr h VAL 228 Cb 0.01 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2dmr h VAL 228 CO -0.10 0.27 -0.24 -0.33 0.02 0.00 0.00 177.57 177.18 2dmr h GLU 229 N 0.47 0.96 -0.80 1.57 5.08 -0.75 0.24 114.58 121.35 2dmr h GLU 229 Ca 0.12 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2dmr h GLU 229 Cb 0.32 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2dmr h GLU 229 CO 0.00 1.09 0.43 0.35 -1.00 0.00 0.00 179.01 179.88 2dmr h PHE 230 N 0.82 1.09 0.00 4.33 3.57 -0.14 -2.80 116.94 123.80 2dmr h PHE 230 Ca 0.10 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2dmr h PHE 230 Cb 0.82 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2dmr h PHE 230 CO 0.05 0.76 -1.28 1.19 -2.23 0.00 0.00 178.31 176.80 2dmr n PHE 231 N -4.34 0.60 -3.43 0.41 3.72 -1.17 -4.96 117.46 108.29 2dmr n PHE 231 Ca 0.08 0.18 -0.19 0.00 -0.05 0.00 0.00 57.45 57.47 2dmr n PHE 231 Cb 0.10 -0.76 0.08 0.00 -0.94 0.00 0.00 39.48 37.96 2dmr n PHE 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dmr n GLY 232 N 1.23 -0.38 3.79 1.37 0.00 0.78 -4.94 105.19 107.05 2dmr n GLY 232 Ca -0.01 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2dmr n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmr s ALA 233 N -3.32 1.90 -0.03 4.61 0.00 -0.83 -5.00 121.76 119.09 2dmr s ALA 233 Ca 0.27 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 2dmr s ALA 233 Cb -0.12 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2dmr s ALA 233 CO 0.68 -2.15 1.07 -2.00 0.00 0.00 0.00 175.76 173.36 2dmr s GLU 234 N -5.27 4.46 -0.31 0.00 2.12 -1.08 -4.89 118.70 113.73 2dmr s GLU 234 Ca 0.63 1.53 -0.02 0.00 0.36 0.00 0.00 54.97 57.46 2dmr s GLU 234 Cb -0.15 -3.48 0.05 0.00 0.26 0.00 0.00 34.13 30.82 2dmr s GLU 234 CO 0.53 -0.23 0.02 -1.58 -0.54 0.00 0.00 175.26 173.46 2dmr s HIS 235 N 1.51 3.27 -0.13 5.30 5.65 -1.26 -0.30 115.29 129.33 2dmr s HIS 235 Ca 0.53 -1.83 -0.17 0.00 0.25 0.00 0.00 55.06 53.84 2dmr s HIS 235 Cb -0.23 -2.17 -0.04 0.00 -1.18 0.00 0.00 32.58 28.97 2dmr s HIS 235 CO 0.24 -0.80 0.41 0.42 -0.65 0.00 0.00 174.74 174.37 2dmr s ILE 236 N 1.27 5.23 -0.48 0.89 -1.09 0.48 -5.00 121.20 122.50 2dmr s ILE 236 Ca -0.04 0.81 0.01 0.00 -2.23 0.00 0.00 60.65 59.20 2dmr s ILE 236 Cb -0.20 -3.75 0.13 0.00 -1.58 0.00 0.00 42.46 37.06 2dmr s ILE 236 CO -0.01 0.34 0.25 0.42 -1.23 0.00 0.00 174.94 174.71 2dmr s THR 237 N 0.59 2.98 0.51 2.92 -4.23 -1.26 -1.06 115.64 116.09 2dmr s THR 237 Ca 0.23 -2.71 -0.13 0.00 -1.18 0.00 0.00 61.69 57.90 2dmr s THR 237 Cb -0.14 -3.05 -0.06 0.00 1.34 0.00 0.00 72.50 70.59 2dmr s THR 237 CO 0.08 -0.75 0.92 -2.16 -0.54 0.00 0.00 174.62 172.17 2dmr s PRO 238 N 0.38 3.79 0.02 3.99 0.04 -1.26 -4.78 135.00 137.17 2dmr s PRO 238 Ca 0.14 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 2dmr s PRO 238 Cb -0.22 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 2dmr s PRO 238 CO -0.04 -0.27 1.47 0.15 0.04 0.00 0.00 177.00 178.35 2dmr s LYS 239 N -4.32 4.26 0.14 4.56 1.02 -0.90 -4.48 119.74 120.03 2dmr s LYS 239 Ca 0.55 2.06 -0.34 0.00 0.02 0.00 0.00 55.97 58.26 2dmr s LYS 239 Cb -0.10 -3.57 -0.16 0.00 -0.52 0.00 0.00 37.83 33.47 2dmr s LYS 239 CO 0.37 -0.61 1.17 -2.30 -0.92 0.00 0.00 175.35 173.06 2dmr n PRO 240 N 5.39 1.01 -0.39 -1.68 -0.02 -1.26 -1.66 135.00 136.39 2dmr n PRO 240 Ca 0.14 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2dmr n PRO 240 Cb 0.43 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2dmr n PRO 240 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2dmr n GLN 241 N 1.87 0.00 -0.21 -0.52 6.02 -1.26 -4.60 117.38 118.68 2dmr n GLN 241 Ca 0.16 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.21 2dmr n GLN 241 Cb 0.22 -1.12 0.15 0.00 1.02 0.00 0.00 30.24 30.51 2dmr n GLN 241 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2dmr n THR 242 N -2.30 1.41 -0.17 5.09 -2.24 -0.66 -4.70 114.28 110.71 2dmr n THR 242 Ca 0.00 -1.34 0.02 0.00 -2.27 0.00 0.00 64.05 60.46 2dmr n THR 242 Cb 0.00 0.24 0.29 0.00 -2.10 0.00 0.00 70.33 68.76 2dmr n THR 242 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2dmr h ASP 243 N 1.45 0.77 -0.50 3.42 5.19 -1.93 -2.57 116.42 122.24 2dmr h ASP 243 Ca 0.00 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 2dmr h ASP 243 Cb 0.90 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 2dmr h ASP 243 CO 0.06 0.55 0.26 0.58 -3.12 0.00 0.00 179.24 177.57 2dmr h VAL 244 N 0.90 1.18 -0.23 -1.35 2.07 -1.93 -0.88 116.25 116.01 2dmr h VAL 244 Ca 0.26 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2dmr h VAL 244 Cb -0.07 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2dmr h VAL 244 CO -0.06 0.20 -0.07 0.00 0.02 0.00 0.00 177.57 177.66 2dmr h ALA 245 N 1.10 0.14 -0.50 1.67 0.00 -1.81 -0.69 119.26 119.17 2dmr h ALA 245 Ca 0.17 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2dmr h ALA 245 Cb 0.08 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2dmr h ALA 245 CO -0.03 -0.48 0.13 0.82 0.00 0.00 0.00 179.25 179.69 2dmr h ILE 246 N -0.02 0.77 -0.62 0.00 2.04 -1.31 0.12 117.51 118.50 2dmr h ILE 246 Ca 0.11 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2dmr h ILE 246 Cb 0.19 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2dmr h ILE 246 CO -0.25 0.05 0.37 0.24 0.00 0.00 0.00 178.15 178.57 2dmr h MET 247 N 0.28 0.83 -0.03 2.37 2.86 -0.49 -0.70 114.93 120.06 2dmr h MET 247 Ca 0.25 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2dmr h MET 247 Cb 0.30 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2dmr h MET 247 CO -0.29 0.58 -0.00 -0.07 1.06 0.00 0.00 176.91 178.19 2dmr h LEU 248 N 0.85 0.05 -0.51 1.22 3.38 -0.06 -1.13 115.31 119.11 2dmr h LEU 248 Ca 0.22 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2dmr h LEU 248 Cb -0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2dmr h LEU 248 CO -0.04 0.36 0.05 1.23 0.09 0.00 0.00 178.44 180.13 2dmr h GLY 249 N -0.26 0.57 1.28 0.83 0.00 -0.12 0.18 103.07 105.55 2dmr h GLY 249 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 2dmr h GLY 249 CO 0.00 -0.11 0.29 -0.33 0.00 0.00 0.00 176.54 176.39 2dmr h MET 250 N 0.17 0.93 -0.44 4.80 2.86 -1.07 -1.63 114.93 120.56 2dmr h MET 250 Ca 0.26 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2dmr h MET 250 Cb 0.38 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2dmr h MET 250 CO -0.38 0.74 0.00 0.00 1.06 0.00 0.00 176.91 178.33 2dmr h ALA 251 N 1.40 0.59 0.28 6.32 0.00 0.28 -2.71 119.26 125.42 2dmr h ALA 251 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dmr h ALA 251 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2dmr h ALA 251 CO -0.03 0.38 -0.46 1.25 0.00 0.00 0.00 179.25 180.40 2dmr h HIS 252 N 0.62 -1.28 -0.72 0.00 6.17 -0.24 -0.93 115.15 118.76 2dmr h HIS 252 Ca 0.13 0.02 0.15 0.00 0.71 0.00 0.00 60.37 61.38 2dmr h HIS 252 Cb 0.49 0.52 -0.13 0.00 2.52 0.00 0.00 27.41 30.81 2dmr h HIS 252 CO 0.04 -0.58 -0.09 1.15 0.71 0.00 0.00 177.93 179.15 2dmr h THR 253 N -0.80 0.32 -0.88 6.26 2.02 -1.28 0.64 112.91 119.19 2dmr h THR 253 Ca -0.02 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.20 2dmr h THR 253 Cb 0.76 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2dmr h THR 253 CO -0.17 0.01 0.57 -0.07 0.37 0.00 0.00 175.52 176.23 2dmr h LEU 254 N 0.04 0.89 0.06 2.58 3.38 -1.09 0.64 115.31 121.82 2dmr h LEU 254 Ca 0.37 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.13 2dmr h LEU 254 Cb 0.61 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.19 2dmr h LEU 254 CO -0.69 0.58 -0.85 0.58 0.09 0.00 0.00 178.44 178.15 2dmr h VAL 255 N 1.02 1.40 -0.37 1.22 2.07 0.71 0.50 116.25 122.79 2dmr h VAL 255 Ca 0.37 -2.29 0.05 0.00 0.82 0.00 0.00 66.70 65.65 2dmr h VAL 255 Cb 0.16 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 2dmr h VAL 255 CO -0.13 0.67 0.08 0.00 0.02 0.00 0.00 177.57 178.21 2dmr h ALA 256 N 0.26 0.40 -0.45 1.67 0.00 0.94 -0.99 119.26 121.09 2dmr h ALA 256 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dmr h ALA 256 Cb 1.57 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2dmr h ALA 256 CO 0.16 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.48 2dmr n GLU 257 N -5.08 2.24 -3.78 0.00 1.02 0.22 -4.96 120.64 110.29 2dmr n GLU 257 Ca 0.02 -1.69 -0.29 0.00 -0.02 0.00 0.00 57.16 55.18 2dmr n GLU 257 Cb 0.16 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.17 2dmr n GLU 257 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dmr n ASP 258 N 0.78 -3.26 -0.03 1.62 2.03 -0.38 -4.92 116.55 112.39 2dmr n ASP 258 Ca 0.16 -1.00 -0.02 0.00 0.52 0.00 0.00 54.79 54.44 2dmr n ASP 258 Cb 0.45 -3.29 -0.07 0.00 -0.72 0.00 0.00 41.12 37.48 2dmr n ASP 258 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dmr n LEU 259 N -4.29 0.00 -4.33 -2.67 4.77 0.14 -5.03 117.00 105.59 2dmr n LEU 259 Ca -0.18 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.46 2dmr n LEU 259 Cb 0.63 0.16 0.12 0.00 -2.33 0.00 0.00 43.42 42.00 2dmr n LEU 259 CO 0.70 0.16 -0.37 0.00 -1.33 0.00 0.00 177.39 176.56 2dmr n TYR 260 N -2.21 -1.95 -2.93 -1.77 4.11 -1.16 -4.87 117.16 106.39 2dmr n TYR 260 Ca -0.11 0.19 -0.43 0.00 -0.00 0.00 0.00 57.90 57.55 2dmr n TYR 260 Cb 0.66 -1.69 -0.04 0.00 -0.00 0.00 0.00 39.34 38.27 2dmr n TYR 260 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2dmr s ASP 261 N -1.83 6.20 0.19 9.48 -1.08 -0.26 -4.90 116.67 124.47 2dmr s ASP 261 Ca 0.54 -1.17 -0.07 0.00 -0.52 0.00 0.00 52.55 51.33 2dmr s ASP 261 Cb -0.19 -2.39 0.11 0.00 -1.46 0.00 0.00 42.92 39.00 2dmr s ASP 261 CO 0.69 -1.34 1.62 0.11 0.52 0.00 0.00 175.17 176.77 2dmr h LYS 262 N 9.43 0.92 -0.21 4.34 1.57 -1.89 -2.20 116.57 128.53 2dmr h LYS 262 Ca -0.26 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 2dmr h LYS 262 Cb 1.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2dmr h LYS 262 CO 1.16 1.00 0.09 -0.44 -0.57 0.00 0.00 179.45 180.69 2dmr h ASP 263 N 0.81 0.28 0.05 0.86 3.32 -1.99 -0.18 116.42 119.58 2dmr h ASP 263 Ca 0.12 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2dmr h ASP 263 Cb 0.70 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2dmr h ASP 263 CO 0.05 0.36 -0.21 0.15 -1.72 0.00 0.00 179.24 177.88 2dmr h PHE 264 N 0.18 -0.54 -0.36 4.55 3.57 -1.89 -1.48 116.94 120.98 2dmr h PHE 264 Ca 0.07 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.66 2dmr h PHE 264 Cb 0.17 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 2dmr h PHE 264 CO -0.01 -0.29 -0.21 0.82 -2.23 0.00 0.00 178.31 176.39 2dmr h ILE 265 N -0.36 0.42 -0.68 1.41 1.08 -1.24 -1.65 117.51 116.49 2dmr h ILE 265 Ca 0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 2dmr h ILE 265 Cb 0.41 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 2dmr h ILE 265 CO -0.15 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 177.74 2dmr h ALA 266 N 1.06 0.87 0.00 1.87 0.00 -0.27 -2.63 119.26 120.16 2dmr h ALA 266 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dmr h ALA 266 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dmr h ALA 266 CO -0.45 0.23 -1.21 0.09 0.00 0.00 0.00 179.25 177.90 2dmr n ASN 267 N -4.66 0.77 0.00 0.00 3.02 -0.63 -4.63 115.26 109.14 2dmr n ASN 267 Ca 0.06 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 2dmr n ASN 267 Cb 0.06 1.23 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 2dmr n ASN 267 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2dmr n TYR 268 N -1.67 0.00 -4.62 3.10 4.01 -0.64 -5.00 117.16 112.34 2dmr n TYR 268 Ca 0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.45 2dmr n TYR 268 Cb 0.38 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.33 2dmr n TYR 268 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2dmr s THR 269 N -1.28 1.47 -0.08 -0.72 -4.23 -0.99 -0.93 115.64 108.88 2dmr s THR 269 Ca 0.00 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.50 2dmr s THR 269 Cb 0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.45 2dmr s THR 269 CO 0.00 0.00 0.21 -0.55 -0.54 0.00 0.00 174.62 173.74 2dmr s SER 270 N -3.87 -0.22 0.00 3.99 0.15 0.13 -4.75 113.70 109.14 2dmr s SER 270 Ca 0.17 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2dmr s SER 270 Cb 0.03 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2dmr s SER 270 CO 0.09 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2dmr n GLY 271 N 3.27 0.75 0.20 9.45 0.00 -1.26 -1.05 105.19 116.55 2dmr n GLY 271 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2dmr n GLY 271 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2dmr h PHE 272 N 0.00 0.10 0.00 1.61 3.57 -1.91 -0.04 116.94 120.26 2dmr h PHE 272 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2dmr h PHE 272 Cb 0.00 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2dmr h PHE 272 CO 0.00 -0.04 0.01 -0.40 -2.23 0.00 0.00 178.31 175.65 2dmr n ASP 273 N -5.15 0.57 0.03 0.41 5.75 -1.26 0.47 116.55 117.37 2dmr n ASP 273 Ca 0.05 0.77 0.12 0.00 -0.01 0.00 0.00 54.79 55.72 2dmr n ASP 273 Cb 0.25 -0.84 0.20 0.00 -1.03 0.00 0.00 41.12 39.70 2dmr n ASP 273 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2dmr n LYS 274 N -2.28 0.18 -0.07 0.11 5.02 -0.04 -4.07 118.16 117.01 2dmr n LYS 274 Ca -0.01 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 2dmr n LYS 274 Cb 0.04 -1.60 -0.15 0.00 -0.02 0.00 0.00 35.03 33.30 2dmr n LYS 274 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dmr n PHE 275 N -1.86 0.33 -0.07 2.13 7.35 0.18 -4.52 117.46 120.99 2dmr n PHE 275 Ca 0.04 0.12 -0.07 0.00 -0.76 0.00 0.00 57.45 56.78 2dmr n PHE 275 Cb 0.40 -1.04 -0.01 0.00 0.35 0.00 0.00 39.48 39.18 2dmr n PHE 275 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2dmr h LEU 276 N 0.00 -0.49 -0.73 -2.13 5.85 -1.42 -0.68 115.31 115.70 2dmr h LEU 276 Ca -0.45 0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.53 2dmr h LEU 276 Cb 2.13 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 43.33 2dmr h LEU 276 CO 0.04 -0.18 0.26 -0.65 -0.34 0.00 0.00 178.44 177.57 2dmr h PRO 277 N -0.11 0.38 0.45 5.25 0.11 -1.79 0.12 132.00 136.40 2dmr h PRO 277 Ca 0.15 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 2dmr h PRO 277 Cb 0.34 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2dmr h PRO 277 CO -0.35 0.25 -0.28 -0.92 -0.21 0.00 0.00 178.00 176.49 2dmr h TYR 278 N 0.39 -0.75 -0.50 0.65 3.20 -1.39 -1.45 116.97 117.12 2dmr h TYR 278 Ca 0.40 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.33 2dmr h TYR 278 Cb 0.63 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 2dmr h TYR 278 CO -0.19 -0.43 0.18 1.25 -1.64 0.00 0.00 178.16 177.33 2dmr h LEU 279 N -0.70 0.19 -0.18 2.82 5.85 -0.57 -1.81 115.31 120.91 2dmr h LEU 279 Ca -0.05 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2dmr h LEU 279 Cb 0.58 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2dmr h LEU 279 CO 0.05 0.14 0.00 0.47 -0.34 0.00 0.00 178.44 178.75 2dmr n ASP 280 N -5.00 0.17 0.00 1.25 8.00 0.33 -1.52 116.55 119.78 2dmr n ASP 280 Ca 0.05 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.09 2dmr n ASP 280 Cb 0.20 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2dmr n ASP 280 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmr n GLY 281 N -0.04 0.75 0.00 0.44 0.00 -0.68 -4.16 105.19 101.50 2dmr n GLY 281 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2dmr n GLY 281 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dmr n GLU 282 N -2.25 0.00 -0.01 1.61 1.02 -0.59 0.23 120.64 120.66 2dmr n GLU 282 Ca 0.00 0.27 0.04 0.00 -0.02 0.00 0.00 57.16 57.46 2dmr n GLU 282 Cb 0.00 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 2dmr n GLU 282 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2dmr n THR 283 N -1.52 0.07 -0.82 2.62 -2.24 -1.25 -4.73 114.28 106.41 2dmr n THR 283 Ca 0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2dmr n THR 283 Cb 0.16 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2dmr n THR 283 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2dmr n ASP 284 N -1.91 0.28 -0.91 3.42 5.68 -1.21 -5.02 116.55 116.87 2dmr n ASP 284 Ca -0.03 -1.10 -0.11 0.00 -0.50 0.00 0.00 54.79 53.05 2dmr n ASP 284 Cb 0.33 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.26 2dmr n ASP 284 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2dmr n SER 285 N -0.05 -4.25 -3.60 -1.12 7.64 0.14 -4.95 113.62 107.42 2dmr n SER 285 Ca 0.00 0.24 -0.28 0.00 1.01 0.00 0.00 58.87 59.84 2dmr n SER 285 Cb 0.34 -2.84 -0.11 0.00 -1.01 0.00 0.00 64.21 60.59 2dmr n SER 285 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2dmr s THR 286 N -2.43 1.24 -0.03 0.44 2.01 -1.20 -5.02 115.64 110.65 2dmr s THR 286 Ca 0.00 -3.06 -0.34 0.00 0.31 0.00 0.00 61.69 58.61 2dmr s THR 286 Cb 0.00 -1.84 -0.12 0.00 0.01 0.00 0.00 72.50 70.55 2dmr s THR 286 CO 0.00 -1.10 1.83 -2.65 -0.69 0.00 0.00 174.62 172.01 2dmr n PRO 287 N 2.77 2.24 -1.00 4.92 -0.02 -1.26 -4.20 135.00 138.45 2dmr n PRO 287 Ca 0.22 0.82 -0.30 0.00 -2.02 0.00 0.00 63.50 62.22 2dmr n PRO 287 Cb 0.41 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 2dmr n PRO 287 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2dmr n LYS 288 N 6.05 2.77 -1.60 -0.52 4.76 -0.57 -4.79 118.16 124.25 2dmr n LYS 288 Ca 0.21 -1.80 -0.29 0.00 -2.87 0.00 0.00 58.31 53.56 2dmr n LYS 288 Cb 0.30 -2.62 0.17 0.00 -1.84 0.00 0.00 35.03 31.04 2dmr n LYS 288 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2dmr s THR 289 N 2.92 1.92 0.18 -0.18 -4.23 -1.26 -3.63 115.64 111.36 2dmr s THR 289 Ca 0.53 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.95 2dmr s THR 289 Cb 0.14 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 71.20 2dmr s THR 289 CO -0.04 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 175.62 2dmr h ALA 290 N -1.71 0.75 -0.35 3.99 0.00 -1.91 0.11 119.26 120.14 2dmr h ALA 290 Ca -0.47 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 2dmr h ALA 290 Cb 1.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2dmr h ALA 290 CO 0.49 0.67 0.21 0.93 0.00 0.00 0.00 179.25 181.55 2dmr h GLU 291 N 0.84 0.47 -0.22 0.00 3.07 -1.93 0.25 114.58 117.06 2dmr h GLU 291 Ca 0.12 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2dmr h GLU 291 Cb 0.75 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2dmr h GLU 291 CO 0.06 0.35 0.09 2.35 -1.40 0.00 0.00 179.01 180.46 2dmr h TRP 292 N 0.45 0.34 -0.33 4.33 7.01 -1.77 -2.70 115.95 123.28 2dmr h TRP 292 Ca 0.13 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 2dmr h TRP 292 Cb 0.00 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 2dmr h TRP 292 CO -0.04 0.37 0.08 0.00 -2.79 0.00 0.00 178.44 176.07 2dmr h ALA 293 N 0.93 1.54 -0.73 2.65 0.00 -0.71 -2.02 119.26 120.92 2dmr h ALA 293 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2dmr h ALA 293 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2dmr h ALA 293 CO -0.01 0.35 0.43 1.49 0.00 0.00 0.00 179.25 181.51 2dmr h GLU 294 N 0.46 1.00 -0.69 0.00 4.81 -0.22 0.65 114.58 120.59 2dmr h GLU 294 Ca 0.11 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2dmr h GLU 294 Cb 0.17 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2dmr h GLU 294 CO -0.00 0.72 0.46 0.78 -0.73 0.00 0.00 179.01 180.23 2dmr h GLY 295 N 1.00 0.97 0.38 1.92 0.00 -1.06 0.33 103.07 106.59 2dmr h GLY 295 Ca 0.26 -0.36 -0.27 0.00 0.00 0.00 0.00 47.33 46.96 2dmr h GLY 295 CO -0.05 0.35 -1.46 -2.22 0.00 0.00 0.00 176.54 173.16 2dmr h ILE 296 N 0.92 0.92 0.06 2.60 2.04 -1.23 -3.40 117.51 119.43 2dmr h ILE 296 Ca 0.26 -2.31 -0.25 0.00 1.00 0.00 0.00 64.86 63.55 2dmr h ILE 296 Cb -0.09 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2dmr h ILE 296 CO -0.06 0.63 -1.22 0.77 0.00 0.00 0.00 178.15 178.26 2dmr h SER 297 N -0.46 0.21 0.00 1.72 4.64 0.38 -3.46 113.55 116.58 2dmr h SER 297 Ca -0.34 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2dmr h SER 297 Cb 1.66 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2dmr h SER 297 CO -0.02 1.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 2dmr n GLY 298 N 1.48 0.76 3.65 -0.77 0.00 0.11 -2.11 105.19 108.32 2dmr n GLY 298 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2dmr n GLY 298 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmr s VAL 299 N -3.03 5.06 -0.28 1.61 1.01 -1.26 -4.99 120.40 118.51 2dmr s VAL 299 Ca 0.00 1.04 -0.44 0.00 0.00 0.00 0.00 61.98 62.58 2dmr s VAL 299 Cb 0.00 -3.88 -0.20 0.00 0.00 0.00 0.00 36.38 32.30 2dmr s VAL 299 CO 0.00 0.12 1.36 -2.65 0.00 0.00 0.00 175.10 173.93 2dmr n PRO 300 N 5.11 0.00 -0.30 2.72 -0.02 -1.26 -4.25 135.00 137.00 2dmr n PRO 300 Ca -0.03 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.57 2dmr n PRO 300 Cb 0.50 -1.48 0.29 0.00 -0.02 0.00 0.00 33.50 32.78 2dmr n PRO 300 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dmr h ALA 301 N 4.10 1.33 -0.15 3.55 0.00 -1.93 0.34 119.26 126.50 2dmr h ALA 301 Ca -0.46 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2dmr h ALA 301 Cb 1.38 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2dmr h ALA 301 CO 0.83 -0.40 -0.22 0.93 0.00 0.00 0.00 179.25 180.39 2dmr h GLU 302 N 0.31 0.26 0.04 0.00 4.39 -1.92 -1.68 114.58 115.97 2dmr h GLU 302 Ca 0.54 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 2dmr h GLU 302 Cb 1.06 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2dmr h GLU 302 CO -0.58 0.47 -0.02 1.15 -1.16 0.00 0.00 179.01 178.88 2dmr h THR 303 N 0.24 1.10 -0.52 1.13 2.02 -1.29 -1.21 112.91 114.38 2dmr h THR 303 Ca 0.04 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 66.88 2dmr h THR 303 Cb 0.53 1.39 -0.08 0.00 -1.74 0.00 0.00 68.15 68.25 2dmr h THR 303 CO 0.04 0.11 0.07 0.40 0.37 0.00 0.00 175.52 176.51 2dmr h ILE 304 N -0.24 0.67 -0.80 3.11 2.04 -1.14 0.20 117.51 121.35 2dmr h ILE 304 Ca -0.01 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2dmr h ILE 304 Cb 0.22 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2dmr h ILE 304 CO 0.01 0.04 0.39 0.11 0.00 0.00 0.00 178.15 178.69 2dmr h LYS 305 N 0.20 1.14 -0.31 2.37 1.57 -1.22 -2.23 116.57 118.10 2dmr h LYS 305 Ca 0.26 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 2dmr h LYS 305 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2dmr h LYS 305 CO -0.37 0.88 -0.43 0.93 -0.57 0.00 0.00 179.45 179.89 2dmr h GLU 306 N 1.13 0.77 -0.21 3.15 5.08 -0.24 -2.24 114.58 122.02 2dmr h GLU 306 Ca 0.28 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2dmr h GLU 306 Cb 0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dmr h GLU 306 CO -0.04 1.05 0.09 -0.07 -1.00 0.00 0.00 179.01 179.04 2dmr h LEU 307 N 0.62 0.29 -0.63 1.33 4.07 -0.46 -1.63 115.31 118.90 2dmr h LEU 307 Ca 0.04 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 57.88 2dmr h LEU 307 Cb 0.99 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 2dmr h LEU 307 CO 0.09 0.37 0.37 0.00 -1.08 0.00 0.00 178.44 178.20 2dmr h ALA 308 N 0.93 0.82 -0.37 1.53 0.00 -1.34 -1.01 119.26 119.81 2dmr h ALA 308 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2dmr h ALA 308 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dmr h ALA 308 CO -0.01 0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.38 2dmr h ARG 309 N 0.73 0.64 -0.66 0.00 3.08 -1.27 -2.51 114.38 114.39 2dmr h ARG 309 Ca 0.26 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2dmr h ARG 309 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2dmr h ARG 309 CO -0.12 0.72 0.40 1.25 -1.07 0.00 0.00 179.97 181.15 2dmr h LEU 310 N 0.47 0.77 -0.91 3.04 5.85 -0.90 -1.71 115.31 121.92 2dmr h LEU 310 Ca 0.11 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 2dmr h LEU 310 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2dmr h LEU 310 CO 0.01 0.59 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.95 2dmr h PHE 311 N 0.90 0.00 0.00 1.25 0.04 -1.05 -3.06 116.94 115.02 2dmr h PHE 311 Ca 0.24 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.88 2dmr h PHE 311 Cb -0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2dmr h PHE 311 CO 0.00 0.49 -0.85 1.49 -0.60 0.00 0.00 178.31 178.84 2dmr h GLU 312 N 0.00 0.00 -0.41 1.51 4.57 -0.88 -3.36 114.58 116.01 2dmr h GLU 312 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dmr h GLU 312 Cb 0.96 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2dmr h GLU 312 CO 0.06 0.45 0.00 -1.13 -1.18 0.00 0.00 179.01 177.21 2dmr n SER 313 N -3.11 3.34 -4.23 1.04 3.41 -0.92 -4.95 113.62 108.20 2dmr n SER 313 Ca -0.02 -1.95 -0.17 0.00 -0.26 0.00 0.00 58.87 56.48 2dmr n SER 313 Cb 0.78 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 2dmr n SER 313 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dmr s LYS 314 N -1.27 1.00 -0.50 4.33 -0.14 -1.16 -5.08 119.74 116.92 2dmr s LYS 314 Ca 0.36 -1.27 -0.27 0.00 -1.36 0.00 0.00 55.97 53.42 2dmr s LYS 314 Cb 0.20 -0.78 -0.01 0.00 -1.68 0.00 0.00 37.83 35.56 2dmr s LYS 314 CO 0.28 0.14 1.72 0.50 -0.76 0.00 0.00 175.35 177.23 2dmr s ARG 315 N -2.92 3.04 0.04 1.68 6.06 -1.26 -4.84 118.95 120.75 2dmr s ARG 315 Ca 0.10 0.85 0.04 0.00 -2.50 0.00 0.00 55.73 54.23 2dmr s ARG 315 Cb -0.03 -4.25 -0.04 0.00 0.06 0.00 0.00 34.95 30.69 2dmr s ARG 315 CO 0.02 -2.23 -0.07 0.99 -2.50 0.00 0.00 175.30 171.52 2dmr s THR 316 N 7.56 3.63 -0.13 4.11 2.01 -1.26 -0.46 115.64 131.10 2dmr s THR 316 Ca 0.68 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2dmr s THR 316 Cb -0.15 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.75 2dmr s THR 316 CO 0.26 0.30 -0.13 -0.32 -0.69 0.00 0.00 174.62 174.04 2dmr s MET 317 N -1.70 2.15 -0.50 4.92 1.75 -0.49 -2.75 119.30 122.69 2dmr s MET 317 Ca 0.19 -0.51 -0.15 0.00 -1.25 0.00 0.00 55.69 53.97 2dmr s MET 317 Cb -0.11 -1.95 0.09 0.00 2.84 0.00 0.00 34.83 35.70 2dmr s MET 317 CO 0.10 -0.18 0.43 -0.51 -0.65 0.00 0.00 175.02 174.21 2dmr s LEU 318 N 1.35 5.82 -0.41 4.11 1.43 -1.13 -1.01 118.68 128.84 2dmr s LEU 318 Ca 0.01 -1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 51.47 2dmr s LEU 318 Cb -0.13 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.93 2dmr s LEU 318 CO -0.07 -0.72 0.28 0.00 0.23 0.00 0.00 176.35 176.06 2dmr s ALA 319 N 1.62 3.41 -0.08 4.21 0.00 0.39 -1.05 121.76 130.26 2dmr s ALA 319 Ca 0.04 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.17 2dmr s ALA 319 Cb -0.26 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2dmr s ALA 319 CO 0.05 -1.49 0.01 0.00 0.00 0.00 0.00 175.76 174.33 2dmr s ALA 320 N 1.61 3.31 1.00 0.00 0.00 -0.89 -0.24 121.76 126.55 2dmr s ALA 320 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2dmr s ALA 320 Cb -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2dmr s ALA 320 CO 0.08 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.85 2dmr n GLY 321 N 2.04 -1.25 0.12 0.00 0.00 0.11 -4.58 105.19 101.63 2dmr n GLY 321 Ca -0.18 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.22 2dmr n GLY 321 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dmr n TRP 322 N -1.97 0.00 -0.14 1.61 8.01 -1.25 -4.67 117.44 119.03 2dmr n TRP 322 Ca 0.00 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.13 2dmr n TRP 322 Cb 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 31.31 29.41 2dmr n TRP 322 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2dmr h SER 323 N 0.56 0.85 0.23 -0.99 4.64 -1.90 -2.69 113.55 114.26 2dmr h SER 323 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2dmr h SER 323 Cb 0.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2dmr h SER 323 CO 0.00 0.93 0.00 1.15 -0.87 0.00 0.00 176.83 178.04 2dmr n MET 324 N -4.19 0.26 -0.06 4.77 0.00 -1.26 -0.69 117.12 115.95 2dmr n MET 324 Ca 0.02 0.12 0.06 0.00 0.00 0.00 0.00 57.70 57.90 2dmr n MET 324 Cb 0.33 -1.50 0.09 0.00 0.00 0.00 0.00 33.22 32.14 2dmr n MET 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dmr n GLN 325 N -1.23 1.33 -1.68 3.17 -0.00 -1.02 -4.45 117.38 113.50 2dmr n GLN 325 Ca 0.08 -1.49 -0.38 0.00 -0.00 0.00 0.00 57.00 55.22 2dmr n GLN 325 Cb 0.11 -1.25 0.06 0.00 -0.00 0.00 0.00 30.24 29.15 2dmr n GLN 325 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2dmr n ARG 326 N 0.67 2.74 -4.12 2.61 0.63 0.13 -4.46 116.66 114.86 2dmr n ARG 326 Ca 0.09 -3.44 -0.09 0.00 -0.92 0.00 0.00 57.85 53.49 2dmr n ARG 326 Cb 0.35 -2.28 -0.10 0.00 0.45 0.00 0.00 32.46 30.88 2dmr n ARG 326 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2dmr s MET 327 N -3.97 0.89 0.26 -0.14 -1.94 -1.25 -0.73 119.30 112.42 2dmr s MET 327 Ca 0.57 -1.37 -0.31 0.00 -1.71 0.00 0.00 55.69 52.87 2dmr s MET 327 Cb 0.47 0.25 -0.13 0.00 2.01 0.00 0.00 34.83 37.43 2dmr s MET 327 CO -0.24 -0.25 1.49 1.58 -0.01 0.00 0.00 175.02 177.59 2dmr n HIS 328 N -0.07 2.46 -3.22 -0.03 -0.00 -1.26 -1.72 115.22 111.38 2dmr n HIS 328 Ca -0.07 0.35 -0.23 0.00 0.46 0.00 0.00 57.72 58.23 2dmr n HIS 328 Cb 0.63 -2.52 0.05 0.00 -0.12 0.00 0.00 29.99 28.03 2dmr n HIS 328 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2dmr n HIS 329 N 2.02 -2.25 -0.33 1.57 8.25 -0.03 -4.89 115.22 119.55 2dmr n HIS 329 Ca 0.10 0.68 0.13 0.00 -0.26 0.00 0.00 57.72 58.37 2dmr n HIS 329 Cb 0.34 -4.63 0.34 0.00 1.12 0.00 0.00 29.99 27.17 2dmr n HIS 329 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2dmr h GLY 330 N -1.79 1.60 -0.15 -1.41 0.00 -1.54 -2.33 103.07 97.45 2dmr h GLY 330 Ca -0.54 -0.34 0.29 0.00 0.00 0.00 0.00 47.33 46.74 2dmr h GLY 330 CO 0.57 -0.02 0.72 0.83 0.00 0.00 0.00 176.54 178.65 2dmr h GLU 331 N 0.73 0.20 0.00 4.80 3.07 -1.85 -2.01 114.58 119.52 2dmr h GLU 331 Ca 0.55 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.31 2dmr h GLU 331 Cb 0.89 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 2dmr h GLU 331 CO -0.33 0.13 -0.39 1.96 -1.40 0.00 0.00 179.01 178.99 2dmr h GLN 332 N 0.21 0.00 0.50 2.33 1.08 -1.77 -3.05 115.11 114.41 2dmr h GLN 332 Ca 0.56 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.74 2dmr h GLN 332 Cb 1.77 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.18 2dmr h GLN 332 CO -0.16 0.39 -0.43 0.00 -0.95 0.00 0.00 178.83 177.68 2dmr h ALA 333 N 1.61 -1.13 0.00 3.87 0.00 -1.55 0.15 119.26 122.21 2dmr h ALA 333 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2dmr h ALA 333 Cb 0.91 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2dmr h ALA 333 CO 0.05 -1.14 -0.65 0.45 0.00 0.00 0.00 179.25 177.96 2dmr h HIS 334 N -0.91 0.00 -0.37 0.00 3.86 -1.76 -2.37 115.15 113.60 2dmr h HIS 334 Ca -0.07 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2dmr h HIS 334 Cb 0.77 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 2dmr h HIS 334 CO -0.18 0.65 0.23 2.35 0.86 0.00 0.00 177.93 181.84 2dmr h TRP 335 N 0.00 0.44 -0.06 2.45 2.91 -1.42 -1.26 115.95 119.02 2dmr h TRP 335 Ca -0.01 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.91 2dmr h TRP 335 Cb 1.31 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.80 2dmr h TRP 335 CO 0.00 0.27 -0.47 1.98 -1.03 0.00 0.00 178.44 179.19 2dmr h MET 336 N 0.48 0.15 -0.09 2.65 4.05 -0.54 -2.60 114.93 119.02 2dmr h MET 336 Ca 0.14 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.39 2dmr h MET 336 Cb -0.03 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2dmr h MET 336 CO -0.04 0.59 -0.37 1.25 0.23 0.00 0.00 176.91 178.57 2dmr h LEU 337 N 0.12 0.19 -0.16 3.39 5.85 -0.99 0.52 115.31 124.23 2dmr h LEU 337 Ca 0.01 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 2dmr h LEU 337 Cb 0.88 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.87 2dmr h LEU 337 CO 0.07 0.55 -0.55 0.58 -0.34 0.00 0.00 178.44 178.75 2dmr h VAL 338 N 0.16 1.32 -0.20 1.05 2.07 -1.11 0.21 116.25 119.75 2dmr h VAL 338 Ca 0.02 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 65.75 2dmr h VAL 338 Cb 0.73 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 2dmr h VAL 338 CO 0.06 0.56 0.10 0.74 0.02 0.00 0.00 177.57 179.04 2dmr h THR 339 N 0.34 0.99 -0.58 2.57 2.02 -1.06 0.61 112.91 117.81 2dmr h THR 339 Ca -0.02 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 2dmr h THR 339 Cb 1.18 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2dmr h THR 339 CO 0.12 0.04 -0.05 0.25 0.37 0.00 0.00 175.52 176.24 2dmr h LEU 340 N 0.21 1.04 -0.82 2.58 5.85 0.07 -1.84 115.31 122.40 2dmr h LEU 340 Ca 0.08 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2dmr h LEU 340 Cb 0.02 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2dmr h LEU 340 CO -0.06 1.12 0.40 0.00 -0.34 0.00 0.00 178.44 179.56 2dmr h ALA 341 N 0.98 1.06 -0.95 1.25 0.00 0.06 -2.35 119.26 119.30 2dmr h ALA 341 Ca 0.16 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2dmr h ALA 341 Cb 0.61 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2dmr h ALA 341 CO 0.04 0.62 0.61 0.77 0.00 0.00 0.00 179.25 181.29 2dmr h SER 342 N 1.16 0.99 -0.09 0.00 0.02 0.64 -2.05 113.55 114.22 2dmr h SER 342 Ca 0.28 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2dmr h SER 342 Cb 0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2dmr h SER 342 CO -0.04 0.65 -0.08 0.24 -1.14 0.00 0.00 176.83 176.46 2dmr h MET 343 N 1.14 0.37 0.00 3.45 2.07 -0.81 -2.59 114.93 118.55 2dmr h MET 343 Ca 0.40 -0.08 -0.03 0.00 -2.07 0.00 0.00 59.70 57.92 2dmr h MET 343 Cb 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.79 2dmr h MET 343 CO -0.16 0.46 -0.14 -0.07 1.07 0.00 0.00 176.91 178.08 2dmr h LEU 344 N 0.35 0.00 0.04 1.22 3.38 -1.12 -0.67 115.31 118.51 2dmr h LEU 344 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2dmr h LEU 344 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2dmr h LEU 344 CO 0.02 0.14 -0.01 0.61 0.09 0.00 0.00 178.44 179.28 2dmr n GLY 345 N 0.61 0.47 0.74 0.83 0.00 -0.98 -4.70 105.19 102.16 2dmr n GLY 345 Ca 0.02 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2dmr n GLY 345 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dmr n GLN 346 N -2.49 2.02 -1.72 1.61 6.02 -1.26 -4.95 117.38 116.62 2dmr n GLN 346 Ca -0.01 -1.49 -0.43 0.00 -0.01 0.00 0.00 57.00 55.06 2dmr n GLN 346 Cb 0.09 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 2dmr n GLN 346 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2dmr n ILE 347 N 0.80 0.58 -0.83 5.09 5.41 -1.26 -1.59 119.36 127.57 2dmr n ILE 347 Ca 0.17 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2dmr n ILE 347 Cb 0.48 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2dmr n ILE 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dmr n GLY 348 N 2.84 0.80 3.88 7.39 0.00 -1.25 -4.84 105.19 114.00 2dmr n GLY 348 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2dmr n GLY 348 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmr s LEU 349 N 0.00 4.40 -0.06 0.99 1.43 -0.62 -4.16 118.68 120.66 2dmr s LEU 349 Ca 0.00 0.52 -0.33 0.00 -1.03 0.00 0.00 54.13 53.28 2dmr s LEU 349 Cb 0.00 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.92 2dmr s LEU 349 CO 0.00 0.38 1.88 -0.81 0.23 0.00 0.00 176.35 178.04 2dmr n PRO 350 N 1.86 2.30 0.00 1.29 -0.04 -1.26 -0.91 135.00 138.23 2dmr n PRO 350 Ca -0.18 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 2dmr n PRO 350 Cb 0.54 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 2dmr n PRO 350 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dmr n GLY 351 N 4.39 1.89 1.72 0.55 0.00 -1.26 -4.69 105.19 107.78 2dmr n GLY 351 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2dmr n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmr n GLY 352 N -2.00 3.07 0.00 -0.02 0.00 -0.09 -4.00 105.19 102.15 2dmr n GLY 352 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2dmr n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmr n GLY 353 N 2.03 1.01 3.28 -0.02 0.00 -1.11 -4.57 105.19 105.81 2dmr n GLY 353 Ca -0.02 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 2dmr n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dmr s PHE 354 N 0.00 0.01 -0.04 1.61 -0.71 -1.26 -2.84 117.98 114.74 2dmr s PHE 354 Ca 0.00 -0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 55.48 2dmr s PHE 354 Cb 0.00 0.10 0.01 0.00 -1.21 0.00 0.00 43.02 41.93 2dmr s PHE 354 CO 0.00 -0.65 0.11 0.20 -1.34 0.00 0.00 175.22 173.54 2dmr s GLY 355 N -2.85 -0.07 0.00 1.99 0.00 -0.22 -4.91 107.32 101.26 2dmr s GLY 355 Ca 0.05 0.35 0.12 0.00 0.00 0.00 0.00 44.72 45.24 2dmr s GLY 355 CO -0.10 0.36 1.11 1.04 0.00 0.00 0.00 173.10 175.51 2dmr n LEU 356 N 3.19 2.59 -0.69 0.66 4.77 -1.26 -2.10 117.00 124.15 2dmr n LEU 356 Ca -0.14 -1.58 0.04 0.00 -0.03 0.00 0.00 56.01 54.29 2dmr n LEU 356 Cb 0.58 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2dmr n LEU 356 CO 0.22 0.59 0.28 -0.24 -1.33 0.00 0.00 177.39 176.91 2dmr n SER 357 N 0.63 0.94 0.11 -1.43 2.88 -1.26 -4.83 113.62 110.66 2dmr n SER 357 Ca 0.10 -2.45 0.12 0.00 -1.33 0.00 0.00 58.87 55.31 2dmr n SER 357 Cb 0.38 -0.31 0.46 0.00 -0.75 0.00 0.00 64.21 63.99 2dmr n SER 357 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2dmr n TYR 358 N -0.29 0.75 0.84 0.66 4.01 -1.26 -2.54 117.16 119.33 2dmr n TYR 358 Ca 0.07 0.27 0.10 0.00 -0.16 0.00 0.00 57.90 58.18 2dmr n TYR 358 Cb 0.81 -0.94 0.05 0.00 -0.31 0.00 0.00 39.34 38.95 2dmr n TYR 358 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 2dmr n HIS 359 N -2.16 0.00 -4.79 -0.72 1.44 -1.26 -4.69 115.22 103.03 2dmr n HIS 359 Ca 0.03 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.47 2dmr n HIS 359 Cb 0.28 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.23 2dmr n HIS 359 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2dmr s TYR 360 N -1.87 1.89 -0.82 -1.40 5.04 -1.05 -3.85 117.35 115.29 2dmr s TYR 360 Ca 0.20 -0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 54.02 2dmr s TYR 360 Cb 0.16 -1.33 0.05 0.00 0.35 0.00 0.00 41.96 41.20 2dmr s TYR 360 CO 0.34 -0.35 0.21 0.43 -1.34 0.00 0.00 175.55 174.85 2dmr n SER 361 N 3.76 -2.45 0.00 4.32 7.64 -1.26 -1.81 113.62 123.82 2dmr n SER 361 Ca -0.21 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2dmr n SER 361 Cb 0.52 -2.13 0.00 0.00 -1.01 0.00 0.00 64.21 61.59 2dmr n SER 361 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmr n GLY 362 N -0.82 0.50 3.68 0.23 0.00 -1.26 -4.22 105.19 103.30 2dmr n GLY 362 Ca -0.02 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.70 2dmr n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmr n GLY 363 N -2.82 1.42 0.00 -0.02 0.00 -0.75 -1.35 105.19 101.68 2dmr n GLY 363 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2dmr n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmr n GLY 364 N 3.92 1.67 3.68 -0.02 0.00 -1.26 -4.44 105.19 108.74 2dmr n GLY 364 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2dmr n GLY 364 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmr s THR 365 N -2.19 4.50 0.01 2.61 2.01 -0.46 -0.28 115.64 121.84 2dmr s THR 365 Ca 0.00 1.81 -0.38 0.00 0.31 0.00 0.00 61.69 63.43 2dmr s THR 365 Cb 0.00 -4.16 -0.17 0.00 0.01 0.00 0.00 72.50 68.18 2dmr s THR 365 CO 0.00 -0.06 1.39 -2.65 -0.69 0.00 0.00 174.62 172.61 2dmr n PRO 366 N 5.65 1.05 -2.71 4.92 -0.02 -1.26 -4.15 135.00 138.48 2dmr n PRO 366 Ca 0.11 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 2dmr n PRO 366 Cb 0.47 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 2dmr n PRO 366 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2dmr s SER 367 N 0.99 7.02 0.73 2.55 0.01 -1.25 -4.58 113.70 119.16 2dmr s SER 367 Ca 0.87 1.87 -0.03 0.00 1.31 0.00 0.00 55.95 59.98 2dmr s SER 367 Cb -1.00 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 62.72 2dmr s SER 367 CO 0.51 -0.30 0.38 0.35 0.41 0.00 0.00 173.24 174.59 2dmr n THR 368 N 0.00 0.00 -1.06 1.44 -2.24 0.59 -4.08 114.28 108.93 2dmr n THR 368 Ca 0.04 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.46 2dmr n THR 368 Cb 0.51 -1.50 0.24 0.00 -2.10 0.00 0.00 70.33 67.48 2dmr n THR 368 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dmr n SER 369 N -3.11 3.52 -4.73 3.42 3.41 -0.86 -4.94 113.62 110.32 2dmr n SER 369 Ca 0.06 -3.12 -0.30 0.00 -0.26 0.00 0.00 58.87 55.24 2dmr n SER 369 Cb 0.20 -0.54 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 2dmr n SER 369 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmr s GLY 370 N -2.13 1.64 1.14 5.00 0.00 -1.26 -4.94 107.32 106.77 2dmr s GLY 370 Ca 0.41 0.09 -0.17 0.00 0.00 0.00 0.00 44.72 45.05 2dmr s GLY 370 CO 0.07 0.52 1.10 2.56 0.00 0.00 0.00 173.10 177.36 2dmr s PRO 371 N -4.90 -0.76 -0.08 2.90 0.04 -1.26 -5.03 135.00 125.91 2dmr s PRO 371 Ca 0.63 0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.72 2dmr s PRO 371 Cb -0.18 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2dmr s PRO 371 CO 0.57 -3.44 0.15 0.00 0.04 0.00 0.00 177.00 174.32 2dmr s ALA 372 N -2.99 3.91 -0.09 8.56 0.00 -1.26 -5.01 121.76 124.88 2dmr s ALA 372 Ca 0.69 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 2dmr s ALA 372 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2dmr s ALA 372 CO 0.57 0.67 0.16 -1.17 0.00 0.00 0.00 175.76 175.98 2dmr s LEU 373 N -1.35 4.39 0.12 0.00 2.96 -1.26 -4.56 118.68 118.97 2dmr s LEU 373 Ca 0.19 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.58 2dmr s LEU 373 Cb -0.12 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2dmr s LEU 373 CO 0.09 0.37 -0.06 0.00 -1.32 0.00 0.00 176.35 175.43 2dmr s ALA 374 N -1.11 1.15 0.00 5.97 0.00 -1.26 -5.06 121.76 121.45 2dmr s ALA 374 Ca 0.19 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2dmr s ALA 374 Cb -0.12 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2dmr s ALA 374 CO 0.08 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2dmr n GLY 375 N -0.11 4.39 3.68 0.00 0.00 -1.26 -4.75 105.19 107.14 2dmr n GLY 375 Ca -0.11 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2dmr n GLY 375 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2dmr n ILE 376 N 0.00 2.13 -4.03 -0.61 3.06 -0.81 -5.02 119.36 114.08 2dmr n ILE 376 Ca 0.00 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.51 2dmr n ILE 376 Cb 0.00 -1.46 -0.07 0.00 0.54 0.00 0.00 39.64 38.65 2dmr n ILE 376 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2dmr s THR 377 N -1.12 2.36 -1.68 9.51 -4.23 -1.26 -4.96 115.64 114.25 2dmr s THR 377 Ca 0.57 -1.63 0.14 0.00 -1.18 0.00 0.00 61.69 59.59 2dmr s THR 377 Cb -0.57 -3.00 0.47 0.00 1.34 0.00 0.00 72.50 70.74 2dmr s THR 377 CO 0.61 0.00 1.37 -0.90 -0.54 0.00 0.00 174.62 175.15 2dmr n ASP 378 N -1.29 3.01 0.00 3.99 5.68 -1.26 -4.81 116.55 121.87 2dmr n ASP 378 Ca -0.00 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 2dmr n ASP 378 Cb 0.64 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 2dmr n ASP 378 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dmr n GLY 379 N 1.12 2.46 0.00 6.12 0.00 -1.26 -3.84 105.19 109.79 2dmr n GLY 379 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2dmr n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmr n GLY 380 N 0.00 0.00 0.16 -0.02 0.00 -1.26 -1.18 105.19 102.89 2dmr n GLY 380 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2dmr n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmr n ALA 381 N -1.78 2.54 -2.50 4.61 0.00 -1.26 -3.29 120.51 118.83 2dmr n ALA 381 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 2dmr n ALA 381 Cb 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.34 2dmr n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmr n ALA 382 N -0.38 2.82 -2.26 0.00 0.00 -0.32 -5.05 120.51 115.32 2dmr n ALA 382 Ca 0.10 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.67 2dmr n ALA 382 Cb 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2dmr n ALA 382 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dmr n THR 383 N -0.20 0.00 0.00 0.00 -2.24 -1.21 -5.11 114.28 105.53 2dmr n THR 383 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2dmr n THR 383 Cb 0.92 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2dmr n THR 383 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2dmr n LYS 384 N 0.00 0.00 0.00 -0.78 0.00 -1.26 -5.11 118.16 111.01 2dmr n LYS 384 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2dmr n LYS 384 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2dmr n LYS 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dmr n GLY 393 N 0.00 0.00 3.80 3.14 0.00 -1.26 -5.12 105.19 105.75 2dmr n GLY 393 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2dmr n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmr s ALA 394 N 0.00 2.83 -0.86 4.61 0.00 0.61 -4.89 121.76 124.06 2dmr s ALA 394 Ca 0.00 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.76 2dmr s ALA 394 Cb 0.00 -3.26 -0.18 0.00 0.00 0.00 0.00 23.12 19.68 2dmr s ALA 394 CO 0.00 -0.45 0.89 -1.13 0.00 0.00 0.00 175.76 175.07 2dmr n SER 395 N -1.20 0.82 -3.93 0.00 3.41 -1.26 -4.42 113.62 107.04 2dmr n SER 395 Ca 0.09 -0.79 -0.20 0.00 -0.26 0.00 0.00 58.87 57.71 2dmr n SER 395 Cb 0.52 1.07 -0.16 0.00 -0.26 0.00 0.00 64.21 65.38 2dmr n SER 395 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2dmr s VAL 396 N -3.07 0.65 0.12 -3.33 1.01 -1.26 -0.74 120.40 113.78 2dmr s VAL 396 Ca 0.06 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.93 2dmr s VAL 396 Cb 0.16 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2dmr s VAL 396 CO 0.86 0.24 -0.23 0.27 0.00 0.00 0.00 175.10 176.24 2dmr s ILE 397 N 0.75 1.97 0.17 2.22 -4.36 -0.80 -4.94 121.20 116.21 2dmr s ILE 397 Ca -0.11 -1.69 -0.32 0.00 -0.26 0.00 0.00 60.65 58.28 2dmr s ILE 397 Cb -0.14 -1.78 -0.11 0.00 1.25 0.00 0.00 42.46 41.68 2dmr s ILE 397 CO 0.01 -0.03 1.70 -2.84 0.24 0.00 0.00 174.94 174.02 2dmr s PRO 398 N -2.08 4.15 0.23 0.37 0.02 -1.26 -0.64 135.00 135.78 2dmr s PRO 398 Ca 0.11 2.53 -0.14 0.00 0.02 0.00 0.00 61.00 63.53 2dmr s PRO 398 Cb -0.10 -3.22 0.28 0.00 0.02 0.00 0.00 34.50 31.48 2dmr s PRO 398 CO 0.05 -0.74 1.59 -0.39 -0.33 0.00 0.00 177.00 177.19 2dmr h VAL 399 N 4.08 0.20 0.00 3.83 -1.51 -1.68 -1.30 116.25 119.87 2dmr h VAL 399 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2dmr h VAL 399 Cb 1.20 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2dmr h VAL 399 CO 0.94 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.28 2dmr n ALA 400 N -3.27 1.86 -0.27 5.19 0.00 -1.26 -3.12 120.51 119.64 2dmr n ALA 400 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.47 2dmr n ALA 400 Cb 0.39 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 18.82 2dmr n ALA 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dmr n ARG 401 N -1.30 3.22 -0.12 0.00 5.12 -0.49 -4.51 116.66 118.57 2dmr n ARG 401 Ca 0.07 -2.03 -0.05 0.00 -1.93 0.00 0.00 57.85 53.92 2dmr n ARG 401 Cb 0.13 -1.96 0.15 0.00 -1.16 0.00 0.00 32.46 29.62 2dmr n ARG 401 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2dmr h VAL 402 N 2.23 1.24 -0.11 1.55 3.04 -1.71 -1.92 116.25 120.58 2dmr h VAL 402 Ca 0.08 -0.99 -0.23 0.00 -1.01 0.00 0.00 66.70 64.54 2dmr h VAL 402 Cb 1.60 0.83 0.01 0.00 -2.01 0.00 0.00 31.29 31.73 2dmr h VAL 402 CO 0.39 0.35 -0.85 0.58 -1.01 0.00 0.00 177.57 177.04 2dmr h VAL 403 N 0.78 1.28 -0.70 1.51 2.07 -1.90 -2.83 116.25 116.47 2dmr h VAL 403 Ca 0.15 -2.06 0.08 0.00 0.82 0.00 0.00 66.70 65.69 2dmr h VAL 403 Cb 0.44 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 2dmr h VAL 403 CO 0.02 0.65 0.37 0.44 0.02 0.00 0.00 177.57 179.06 2dmr h ASP 404 N 0.49 0.51 0.33 0.57 3.32 -1.87 -1.66 116.42 118.11 2dmr h ASP 404 Ca -0.07 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2dmr h ASP 404 Cb 1.48 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.96 2dmr h ASP 404 CO 0.17 0.31 -0.48 -0.03 -1.72 0.00 0.00 179.24 177.49 2dmr h MET 405 N 0.65 -0.82 -0.66 3.56 4.05 -1.27 0.17 114.93 120.62 2dmr h MET 405 Ca 0.33 0.06 0.14 0.00 -0.28 0.00 0.00 59.70 59.94 2dmr h MET 405 Cb 0.29 0.19 -0.12 0.00 -0.80 0.00 0.00 31.60 31.16 2dmr h MET 405 CO -0.23 -0.55 -0.09 -0.07 0.23 0.00 0.00 176.91 176.20 2dmr h LEU 406 N -0.85 -0.47 -0.66 3.39 3.38 -1.20 -1.68 115.31 117.22 2dmr h LEU 406 Ca -0.04 0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2dmr h LEU 406 Cb 0.78 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2dmr h LEU 406 CO -0.14 -0.18 -0.54 -0.33 0.09 0.00 0.00 178.44 177.34 2dmr h GLU 407 N 0.05 0.00 -2.19 1.13 5.08 -1.16 -3.38 114.58 114.10 2dmr h GLU 407 Ca 0.33 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.12 2dmr h GLU 407 Cb 0.53 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.37 2dmr h GLU 407 CO -0.63 0.54 -0.75 0.09 -1.00 0.00 0.00 179.01 177.26 2dmr n ASN 408 N -3.56 3.36 -4.69 1.42 3.02 0.60 -5.06 115.26 110.35 2dmr n ASN 408 Ca -0.00 -3.43 -0.43 0.00 -0.03 0.00 0.00 54.58 50.69 2dmr n ASN 408 Cb 0.62 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 2dmr n ASN 408 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2dmr n PRO 409 N 0.30 2.77 0.00 3.52 -0.02 -1.15 -1.86 135.00 138.56 2dmr n PRO 409 Ca 0.29 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.78 2dmr n PRO 409 Cb 0.45 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2dmr n PRO 409 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dmr n GLY 410 N 4.25 2.27 3.75 -1.23 0.00 -0.81 -4.99 105.19 108.43 2dmr n GLY 410 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2dmr n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmr s ALA 411 N -2.32 1.85 0.40 4.61 0.00 -0.78 -4.60 121.76 120.93 2dmr s ALA 411 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2dmr s ALA 411 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2dmr s ALA 411 CO 0.00 -2.09 0.60 -1.21 0.00 0.00 0.00 175.76 173.07 2dmr s GLU 412 N -5.03 3.21 -0.06 0.00 2.02 -1.26 -1.82 118.70 115.76 2dmr s GLU 412 Ca 0.62 -0.50 -0.19 0.00 0.02 0.00 0.00 54.97 54.92 2dmr s GLU 412 Cb -0.16 -2.63 0.04 0.00 0.10 0.00 0.00 34.13 31.48 2dmr s GLU 412 CO 0.56 -0.09 0.44 -0.59 0.02 0.00 0.00 175.26 175.60 2dmr s PHE 413 N -2.43 -0.37 -0.06 1.61 -0.12 -0.15 -4.91 117.98 111.55 2dmr s PHE 413 Ca 0.45 0.70 -0.07 0.00 -0.05 0.00 0.00 56.93 57.96 2dmr s PHE 413 Cb -0.10 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2dmr s PHE 413 CO 0.36 -0.42 0.21 -0.51 -0.05 0.00 0.00 175.22 174.81 2dmr s ASP 414 N -0.96 6.45 -0.26 1.98 1.01 -1.26 -1.48 116.67 122.15 2dmr s ASP 414 Ca -0.10 0.52 -0.07 0.00 0.71 0.00 0.00 52.55 53.61 2dmr s ASP 414 Cb -0.03 -2.08 0.13 0.00 1.01 0.00 0.00 42.92 41.94 2dmr s ASP 414 CO 0.05 0.33 0.54 0.12 0.21 0.00 0.00 175.17 176.43 2dmr s PHE 415 N -1.16 -1.16 -1.49 4.23 5.36 -0.83 -4.77 117.98 118.16 2dmr s PHE 415 Ca 0.21 1.86 -0.14 0.00 -0.96 0.00 0.00 56.93 57.90 2dmr s PHE 415 Cb -0.13 0.55 0.11 0.00 -0.34 0.00 0.00 43.02 43.21 2dmr s PHE 415 CO 0.11 -0.64 0.68 -1.71 -1.46 0.00 0.00 175.22 172.20 2dmr n ASN 416 N 5.42 -3.65 0.00 6.13 5.15 0.94 -1.29 115.26 127.95 2dmr n ASN 416 Ca -0.09 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 2dmr n ASN 416 Cb 0.50 -2.99 0.00 0.00 -0.53 0.00 0.00 39.78 36.75 2dmr n ASN 416 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dmr n GLY 417 N -1.32 0.63 3.64 8.20 0.00 -1.26 -5.08 105.19 110.00 2dmr n GLY 417 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2dmr n GLY 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmr s THR 418 N -2.40 2.12 -0.08 2.61 -4.23 -0.41 -5.03 115.64 108.22 2dmr s THR 418 Ca 0.00 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2dmr s THR 418 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2dmr s THR 418 CO 0.00 -0.03 -0.21 -0.13 -0.54 0.00 0.00 174.62 173.71 2dmr s ARG 419 N -3.74 2.53 0.23 3.99 0.52 -1.26 -1.98 118.95 119.25 2dmr s ARG 419 Ca 0.36 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2dmr s ARG 419 Cb 0.08 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 2dmr s ARG 419 CO 0.19 0.19 0.12 -1.12 0.02 0.00 0.00 175.30 174.70 2dmr s SER 420 N 0.29 0.72 0.05 0.23 0.01 -0.55 -4.93 113.70 109.52 2dmr s SER 420 Ca -0.14 -1.40 0.03 0.00 1.31 0.00 0.00 55.95 55.76 2dmr s SER 420 Cb -0.16 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2dmr s SER 420 CO 0.06 -0.79 -0.00 -0.54 0.41 0.00 0.00 173.24 172.38 2dmr s LYS 421 N -4.08 2.65 0.26 12.44 1.02 -1.26 -0.98 119.74 129.79 2dmr s LYS 421 Ca 0.38 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 2dmr s LYS 421 Cb 0.07 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 2dmr s LYS 421 CO 0.13 0.58 1.04 -0.06 -0.92 0.00 0.00 175.35 176.12 2dmr s PHE 422 N -1.20 3.72 0.71 3.18 0.08 -0.76 -0.28 117.98 123.43 2dmr s PHE 422 Ca 0.23 1.78 -0.11 0.00 0.12 0.00 0.00 56.93 58.94 2dmr s PHE 422 Cb -0.12 -3.18 0.02 0.00 -0.57 0.00 0.00 43.02 39.18 2dmr s PHE 422 CO 0.15 -0.19 1.09 -1.25 -0.10 0.00 0.00 175.22 174.91 2dmr s PRO 423 N -1.32 2.79 -0.94 0.24 0.04 -1.26 -1.93 135.00 132.62 2dmr s PRO 423 Ca 0.43 0.58 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 2dmr s PRO 423 Cb -0.30 -2.00 0.21 0.00 0.04 0.00 0.00 34.50 32.45 2dmr s PRO 423 CO 0.38 -1.11 0.96 0.34 0.04 0.00 0.00 177.00 177.61 2dmr s ASP 424 N -4.19 6.89 0.22 6.66 2.15 -1.26 -4.55 116.67 122.59 2dmr s ASP 424 Ca 0.58 -2.80 -0.30 0.00 0.43 0.00 0.00 52.55 50.47 2dmr s ASP 424 Cb -0.12 -2.26 -0.09 0.00 -0.30 0.00 0.00 42.92 40.16 2dmr s ASP 424 CO 0.53 -0.61 1.03 -0.69 -0.17 0.00 0.00 175.17 175.25 2dmr s VAL 425 N 0.42 3.89 0.00 1.11 1.01 -1.25 -4.15 120.40 121.43 2dmr s VAL 425 Ca 0.25 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2dmr s VAL 425 Cb -0.08 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2dmr s VAL 425 CO -0.08 0.39 0.00 0.29 0.00 0.00 0.00 175.10 175.69 2dmr n LYS 426 N 1.73 2.67 -3.83 2.72 4.76 -0.16 -4.77 118.16 121.28 2dmr n LYS 426 Ca -0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2dmr n LYS 426 Cb 0.46 -0.79 -0.13 0.00 -1.84 0.00 0.00 35.03 32.74 2dmr n LYS 426 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2dmr s MET 427 N -1.54 0.13 -0.08 1.97 1.75 -0.64 -0.33 119.30 120.56 2dmr s MET 427 Ca 0.00 0.14 0.05 0.00 -1.25 0.00 0.00 55.69 54.63 2dmr s MET 427 Cb 0.00 0.06 -0.01 0.00 2.84 0.00 0.00 34.83 37.73 2dmr s MET 427 CO 0.00 -0.02 -0.24 0.00 -0.65 0.00 0.00 175.02 174.11 2dmr s ALA 428 N 0.03 2.19 -0.23 4.11 0.00 -0.94 -0.43 121.76 126.50 2dmr s ALA 428 Ca -0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 2dmr s ALA 428 Cb -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.37 2dmr s ALA 428 CO 0.00 0.34 -0.11 -0.47 0.00 0.00 0.00 175.76 175.53 2dmr s TYR 429 N 0.12 3.01 -0.10 0.00 6.14 -0.89 -1.78 117.35 123.84 2dmr s TYR 429 Ca -0.12 -1.69 0.02 0.00 0.64 0.00 0.00 57.07 55.93 2dmr s TYR 429 Cb -0.16 -2.00 0.01 0.00 0.42 0.00 0.00 41.96 40.23 2dmr s TYR 429 CO 0.07 -0.77 -0.17 -0.46 0.64 0.00 0.00 175.55 174.86 2dmr s TRP 430 N 1.28 2.06 0.09 4.97 -0.11 0.12 -4.32 118.94 123.04 2dmr s TRP 430 Ca 0.00 -0.93 0.06 0.00 1.22 0.00 0.00 56.10 56.45 2dmr s TRP 430 Cb -0.16 -1.46 -0.03 0.00 -1.50 0.00 0.00 33.47 30.32 2dmr s TRP 430 CO -0.07 -0.45 -0.14 0.14 -4.62 0.00 0.00 176.95 171.81 2dmr s VAL 431 N 0.81 1.22 -0.94 5.86 -7.23 -1.26 -1.88 120.40 116.97 2dmr s VAL 431 Ca -0.10 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2dmr s VAL 431 Cb -0.16 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2dmr s VAL 431 CO 0.01 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2dmr n GLY 432 N 0.98 -0.50 3.45 2.32 0.00 -1.25 -4.73 105.19 105.45 2dmr n GLY 432 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2dmr n GLY 432 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmr s GLY 433 N -2.03 0.72 -0.42 -0.02 0.00 -1.26 -1.13 107.32 103.19 2dmr s GLY 433 Ca 0.00 -1.06 0.08 0.00 0.00 0.00 0.00 44.72 43.74 2dmr s GLY 433 CO 0.00 -0.84 0.57 -2.01 0.00 0.00 0.00 173.10 170.81 2dmr n ASN 434 N -0.32 0.71 0.32 1.64 2.85 -1.26 -4.96 115.26 114.23 2dmr n ASN 434 Ca -0.02 -2.82 0.19 0.00 -0.11 0.00 0.00 54.58 51.82 2dmr n ASN 434 Cb 0.63 -0.64 1.07 0.00 1.24 0.00 0.00 39.78 42.08 2dmr n ASN 434 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2dmr h PRO 435 N 3.94 0.00 -0.30 1.20 0.13 -1.96 0.21 132.00 135.22 2dmr h PRO 435 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2dmr h PRO 435 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2dmr h PRO 435 CO 0.51 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.47 2dmr n PHE 436 N -3.45 0.23 0.00 1.56 3.01 -1.26 -2.18 117.46 115.37 2dmr n PHE 436 Ca -0.03 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2dmr n PHE 436 Cb 0.09 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2dmr n PHE 436 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2dmr n VAL 437 N -0.05 0.00 0.11 -4.37 0.31 0.03 -4.62 118.33 109.74 2dmr n VAL 437 Ca 0.05 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.41 2dmr n VAL 437 Cb 0.18 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 2dmr n VAL 437 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 2dmr h HIS 438 N 0.00 0.00 -3.50 3.52 2.07 -0.75 -3.44 115.15 113.05 2dmr h HIS 438 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 2dmr h HIS 438 Cb 0.44 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.38 2dmr h HIS 438 CO 0.00 0.44 0.09 -1.58 -3.07 0.00 0.00 177.93 173.81 2dmr s HIS 439 N -3.00 3.70 0.58 6.12 5.04 -0.93 -5.03 115.29 121.77 2dmr s HIS 439 Ca 0.02 1.39 -0.17 0.00 -1.54 0.00 0.00 55.06 54.75 2dmr s HIS 439 Cb 0.08 -2.61 -0.04 0.00 0.04 0.00 0.00 32.58 30.05 2dmr s HIS 439 CO 0.76 0.40 1.08 -0.65 -2.34 0.00 0.00 174.74 173.99 2dmr s GLN 440 N -1.74 3.30 -0.74 2.88 1.11 -1.26 -4.33 119.66 118.88 2dmr s GLN 440 Ca 0.40 1.36 -0.01 0.00 0.01 0.00 0.00 55.36 57.11 2dmr s GLN 440 Cb -0.18 -2.02 0.00 0.00 -1.01 0.00 0.00 33.01 29.80 2dmr s GLN 440 CO 0.21 -0.85 0.68 -3.47 0.01 0.00 0.00 175.29 171.87 2dmr n ASP 441 N -1.77 -7.25 -0.19 5.90 -0.08 -0.75 -4.58 116.55 107.82 2dmr n ASP 441 Ca 0.10 -0.20 -0.02 0.00 -1.51 0.00 0.00 54.79 53.16 2dmr n ASP 441 Cb 0.52 -4.62 0.05 0.00 2.34 0.00 0.00 41.12 39.41 2dmr n ASP 441 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2dmr h ARG 442 N 0.43 -0.02 -0.58 -0.67 9.65 -1.20 -0.93 114.38 121.06 2dmr h ARG 442 Ca -0.12 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2dmr h ARG 442 Cb 1.08 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.63 2dmr h ARG 442 CO 0.31 -0.01 0.38 -0.91 2.80 0.00 0.00 179.97 182.53 2dmr h ASN 443 N -0.02 0.59 -0.29 -3.80 2.35 -1.85 0.94 115.58 113.50 2dmr h ASN 443 Ca 0.27 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.98 2dmr h ASN 443 Cb 0.44 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2dmr h ASN 443 CO -0.60 0.41 0.04 -0.09 -1.65 0.00 0.00 177.43 175.54 2dmr h ARG 444 N 0.69 0.49 -0.51 0.81 2.43 -1.53 -3.18 114.38 113.58 2dmr h ARG 444 Ca 0.23 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 2dmr h ARG 444 Cb 0.06 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2dmr h ARG 444 CO -0.06 0.60 -0.07 1.98 -1.51 0.00 0.00 179.97 180.91 2dmr h MET 445 N 0.30 0.91 -0.61 0.20 4.05 -0.86 -1.73 114.93 117.19 2dmr h MET 445 Ca 0.09 -0.30 0.05 0.00 -0.28 0.00 0.00 59.70 59.26 2dmr h MET 445 Cb 0.35 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.03 2dmr h MET 445 CO 0.01 0.94 0.33 0.28 0.23 0.00 0.00 176.91 178.70 2dmr h VAL 446 N 0.82 0.96 -0.00 -5.77 2.07 -0.83 -0.05 116.25 113.45 2dmr h VAL 446 Ca 0.14 -0.21 -0.21 0.00 0.82 0.00 0.00 66.70 67.24 2dmr h VAL 446 Cb 0.58 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2dmr h VAL 446 CO 0.04 0.11 -0.91 0.50 0.02 0.00 0.00 177.57 177.33 2dmr h LYS 447 N 0.62 0.31 -0.36 1.57 3.64 -1.51 -3.22 116.57 117.62 2dmr h LYS 447 Ca 0.27 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2dmr h LYS 447 Cb 0.17 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2dmr h LYS 447 CO -0.17 1.03 0.07 0.00 -2.27 0.00 0.00 179.45 178.10 2dmr h ALA 448 N 0.85 1.44 0.00 5.00 0.00 -0.64 -2.58 119.26 123.33 2dmr h ALA 448 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2dmr h ALA 448 Cb 1.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2dmr h ALA 448 CO 0.15 0.41 0.00 2.35 0.00 0.00 0.00 179.25 182.15 2dmr h TRP 449 N 0.53 0.00 0.00 0.00 2.91 -1.04 -2.30 115.95 116.05 2dmr h TRP 449 Ca 0.12 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 2dmr h TRP 449 Cb 0.24 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.89 2dmr h TRP 449 CO 0.01 0.00 -0.10 0.93 -1.03 0.00 0.00 178.44 178.25 2dmr h GLU 450 N 0.00 0.00 0.00 2.65 5.08 -1.61 -2.32 114.58 118.38 2dmr h GLU 450 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2dmr h GLU 450 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2dmr h GLU 450 CO 0.00 0.10 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.81 2dmr h LYS 451 N 0.00 0.00 -5.81 2.33 3.11 -1.61 -3.43 116.57 111.15 2dmr h LYS 451 Ca -0.00 0.00 -0.58 0.00 -2.81 0.00 0.00 60.65 57.26 2dmr h LYS 451 Cb 0.39 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.55 2dmr h LYS 451 CO 0.01 0.08 0.04 -0.51 -2.81 0.00 0.00 179.45 176.26 2dmr s LEU 452 N -6.81 4.24 0.07 5.20 1.43 -0.88 -4.83 118.68 117.10 2dmr s LEU 452 Ca -0.02 0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 53.81 2dmr s LEU 452 Cb 0.12 -2.91 -0.14 0.00 0.03 0.00 0.00 46.19 43.30 2dmr s LEU 452 CO 0.54 -0.14 1.63 -0.33 0.23 0.00 0.00 176.35 178.28 2dmr h GLU 453 N 7.02 0.09 -4.62 1.70 5.08 -0.96 -3.45 114.58 119.44 2dmr h GLU 453 Ca -0.37 -0.01 -0.44 0.00 -1.00 0.00 0.00 59.36 57.54 2dmr h GLU 453 Cb 1.17 -0.02 -0.31 0.00 0.50 0.00 0.00 28.75 30.10 2dmr h GLU 453 CO 0.76 0.19 -0.79 0.99 -1.00 0.00 0.00 179.01 179.16 2dmr s THR 454 N -5.67 0.82 -0.20 1.13 2.01 -1.21 -4.80 115.64 107.71 2dmr s THR 454 Ca -0.14 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2dmr s THR 454 Cb 0.06 -0.73 0.06 0.00 0.01 0.00 0.00 72.50 71.89 2dmr s THR 454 CO 0.68 0.26 -0.01 0.12 -0.69 0.00 0.00 174.62 174.97 2dmr s PHE 455 N 0.22 1.66 -0.16 4.92 5.36 -1.26 -2.21 117.98 126.51 2dmr s PHE 455 Ca -0.04 -1.24 -0.05 0.00 -0.96 0.00 0.00 56.93 54.65 2dmr s PHE 455 Cb -0.09 -1.28 -0.03 0.00 -0.34 0.00 0.00 43.02 41.27 2dmr s PHE 455 CO 0.01 -0.67 0.01 0.08 -1.46 0.00 0.00 175.22 173.18 2dmr s VAL 456 N 1.64 4.32 -0.02 3.12 1.01 -0.73 -0.23 120.40 129.51 2dmr s VAL 456 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2dmr s VAL 456 Cb -0.17 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2dmr s VAL 456 CO -0.07 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.71 2dmr s VAL 457 N 0.24 0.99 -0.16 2.92 1.01 -0.45 -0.70 120.40 124.25 2dmr s VAL 457 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2dmr s VAL 457 Cb -0.13 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 2dmr s VAL 457 CO 0.02 0.29 -0.15 -1.00 0.00 0.00 0.00 175.10 174.25 2dmr s HIS 458 N -0.14 2.78 0.25 5.22 3.76 -0.79 -2.03 115.29 124.34 2dmr s HIS 458 Ca 0.02 -1.05 -0.18 0.00 -0.15 0.00 0.00 55.06 53.70 2dmr s HIS 458 Cb -0.06 -1.89 0.02 0.00 1.11 0.00 0.00 32.58 31.75 2dmr s HIS 458 CO 0.00 -0.48 0.60 0.34 -0.85 0.00 0.00 174.74 174.35 2dmr s ASP 459 N 0.83 -0.22 0.00 1.40 -1.08 -1.21 -3.78 116.67 112.61 2dmr s ASP 459 Ca -0.05 -0.66 0.12 0.00 -0.52 0.00 0.00 52.55 51.44 2dmr s ASP 459 Cb -0.15 0.65 -0.09 0.00 -1.46 0.00 0.00 42.92 41.87 2dmr s ASP 459 CO -0.00 -1.21 0.57 2.22 0.52 0.00 0.00 175.17 177.27 2dmr n PHE 460 N -0.41 0.00 -5.14 -5.34 1.16 -1.26 -2.27 117.46 104.21 2dmr n PHE 460 Ca -0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.22 2dmr n PHE 460 Cb 0.61 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.33 2dmr n PHE 460 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2dmr s GLN 461 N -1.93 2.18 -1.26 3.97 -1.52 -1.26 -1.17 119.66 118.67 2dmr s GLN 461 Ca 0.06 -0.89 -0.19 0.00 -1.95 0.00 0.00 55.36 52.40 2dmr s GLN 461 Cb 0.09 -2.13 0.01 0.00 -0.22 0.00 0.00 33.01 30.76 2dmr s GLN 461 CO 0.42 0.57 1.87 0.91 -0.25 0.00 0.00 175.29 178.82 2dmr n TRP 462 N 2.30 3.81 -1.65 0.91 7.02 0.21 -4.83 117.44 125.22 2dmr n TRP 462 Ca -0.16 -2.44 -0.30 0.00 -1.02 0.00 0.00 57.50 53.58 2dmr n TRP 462 Cb 0.51 -2.55 0.09 0.00 -2.42 0.00 0.00 31.31 26.94 2dmr n TRP 462 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2dmr s THR 463 N 5.86 2.86 0.41 -0.99 -4.23 -1.26 -4.84 115.64 113.45 2dmr s THR 463 Ca 0.57 0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.51 2dmr s THR 463 Cb 0.05 -3.10 0.35 0.00 1.34 0.00 0.00 72.50 71.14 2dmr s THR 463 CO 0.07 -0.37 1.90 -0.65 -0.54 0.00 0.00 174.62 175.04 2dmr h PRO 464 N -1.07 0.45 -0.79 3.99 0.11 -1.90 0.18 132.00 132.98 2dmr h PRO 464 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2dmr h PRO 464 Cb 1.28 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2dmr h PRO 464 CO 0.61 0.30 0.30 1.15 -0.21 0.00 0.00 178.00 180.16 2dmr h THR 465 N 0.47 1.26 -0.14 -1.15 2.02 -1.92 -2.85 112.91 110.61 2dmr h THR 465 Ca 0.40 -0.84 -0.19 0.00 0.77 0.00 0.00 66.41 66.56 2dmr h THR 465 Cb 0.87 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2dmr h THR 465 CO -0.14 0.34 -0.67 0.00 0.37 0.00 0.00 175.52 175.41 2dmr h ALA 466 N 1.18 0.56 0.00 6.16 0.00 -1.00 -2.97 119.26 123.18 2dmr h ALA 466 Ca 0.26 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2dmr h ALA 466 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dmr h ALA 466 CO -0.02 0.72 -0.06 0.00 0.00 0.00 0.00 179.25 179.89 2dmr h ARG 467 N 0.40 0.00 -0.22 0.00 3.08 -1.24 -2.31 114.38 114.10 2dmr h ARG 467 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2dmr h ARG 467 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dmr h ARG 467 CO 0.13 0.06 0.00 0.72 -1.07 0.00 0.00 179.97 179.80 2dmr n HIS 468 N -4.36 0.28 -2.68 3.04 8.25 -1.08 -2.39 115.22 116.28 2dmr n HIS 468 Ca -0.03 -0.14 -0.28 0.00 -0.26 0.00 0.00 57.72 57.01 2dmr n HIS 468 Cb 0.14 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 2dmr n HIS 468 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dmr s ALA 469 N -1.72 3.38 -0.02 -1.41 0.00 -0.87 -4.59 121.76 116.53 2dmr s ALA 469 Ca 0.32 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 2dmr s ALA 469 Cb 0.18 -2.64 -0.29 0.00 0.00 0.00 0.00 23.12 20.37 2dmr s ALA 469 CO 0.26 -0.25 0.79 -0.44 0.00 0.00 0.00 175.76 176.12 2dmr h ASP 470 N 0.54 0.51 -3.27 0.00 3.32 -0.94 -3.42 116.42 113.15 2dmr h ASP 470 Ca -0.47 -0.71 -0.52 0.00 0.02 0.00 0.00 57.03 55.35 2dmr h ASP 470 Cb 1.20 -0.16 -0.36 0.00 0.22 0.00 0.00 39.33 40.23 2dmr h ASP 470 CO 0.62 1.60 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.30 2dmr s ILE 471 N -2.60 1.04 -0.14 0.35 1.01 -1.11 0.75 121.20 120.50 2dmr s ILE 471 Ca -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.21 2dmr s ILE 471 Cb 0.06 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.52 2dmr s ILE 471 CO 0.86 0.36 -0.22 -0.69 0.00 0.00 0.00 174.94 175.25 2dmr s VAL 472 N 1.31 2.06 -0.10 2.92 1.01 -0.11 -1.35 120.40 126.15 2dmr s VAL 472 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2dmr s VAL 472 Cb -0.14 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2dmr s VAL 472 CO -0.04 0.55 -0.17 -0.76 0.00 0.00 0.00 175.10 174.68 2dmr s LEU 473 N 0.83 2.51 -0.34 3.92 1.43 -0.86 -0.40 118.68 125.78 2dmr s LEU 473 Ca -0.07 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 2dmr s LEU 473 Cb -0.15 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2dmr s LEU 473 CO -0.02 0.21 1.53 -2.16 0.23 0.00 0.00 176.35 176.14 2dmr s PRO 474 N 0.08 3.61 0.37 1.29 0.04 -1.26 -3.32 135.00 135.81 2dmr s PRO 474 Ca -0.07 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 2dmr s PRO 474 Cb -0.15 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 2dmr s PRO 474 CO 0.05 -1.52 0.59 0.00 0.04 0.00 0.00 177.00 176.16 2dmr s ALA 475 N 5.59 3.64 0.37 8.56 0.00 -0.96 -0.84 121.76 138.12 2dmr s ALA 475 Ca 0.67 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.81 2dmr s ALA 475 Cb -0.19 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 2dmr s ALA 475 CO 0.31 -0.08 0.56 0.95 0.00 0.00 0.00 175.76 177.50 2dmr s THR 476 N -2.39 4.66 0.86 0.00 -4.23 -0.74 -4.32 115.64 109.48 2dmr s THR 476 Ca 0.41 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 60.20 2dmr s THR 476 Cb -0.10 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.25 2dmr s THR 476 CO 0.38 -0.43 1.14 0.35 -0.54 0.00 0.00 174.62 175.52 2dmr n THR 477 N -1.83 0.00 0.28 3.99 -2.24 -1.26 -4.90 114.28 108.32 2dmr n THR 477 Ca -0.03 -0.83 0.17 0.00 -2.27 0.00 0.00 64.05 61.10 2dmr n THR 477 Cb 0.57 -1.56 0.66 0.00 -2.10 0.00 0.00 70.33 67.90 2dmr n THR 477 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dmr h SER 478 N -1.56 0.00 -0.03 3.42 0.02 -1.96 -2.78 113.55 110.66 2dmr h SER 478 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2dmr h SER 478 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2dmr h SER 478 CO 0.26 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.73 2dmr n TYR 479 N -3.09 0.04 -1.04 3.45 4.01 -1.26 -3.43 117.16 115.83 2dmr n TYR 479 Ca 0.01 -0.02 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 2dmr n TYR 479 Cb 0.32 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.55 2dmr n TYR 479 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2dmr n GLU 480 N -0.42 2.12 -3.11 -0.72 1.02 -1.05 -1.28 120.64 117.21 2dmr n GLU 480 Ca 0.19 -2.73 -0.09 0.00 -0.02 0.00 0.00 57.16 54.52 2dmr n GLU 480 Cb 0.20 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 2dmr n GLU 480 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2dmr n ARG 481 N -0.97 0.61 -4.31 3.49 1.85 -1.22 -4.46 116.66 111.65 2dmr n ARG 481 Ca 0.19 -1.78 -0.25 0.00 -1.00 0.00 0.00 57.85 55.01 2dmr n ARG 481 Cb 0.77 1.89 -0.08 0.00 -1.05 0.00 0.00 32.46 33.99 2dmr n ARG 481 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2dmr s ASN 482 N -2.47 4.34 -0.04 2.89 0.01 -1.26 -2.24 114.94 116.16 2dmr s ASN 482 Ca 0.17 -0.65 -0.31 0.00 -0.71 0.00 0.00 52.86 51.36 2dmr s ASN 482 Cb -0.02 -0.75 0.12 0.00 0.41 0.00 0.00 41.25 41.02 2dmr s ASN 482 CO 0.12 0.05 1.26 -0.62 -1.51 0.00 0.00 177.10 176.40 2dmr s ASP 483 N -3.28 -0.08 0.02 -1.22 -1.08 0.07 -4.82 116.67 106.27 2dmr s ASP 483 Ca 0.28 -0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.23 2dmr s ASP 483 Cb -0.07 0.17 -0.01 0.00 -1.46 0.00 0.00 42.92 41.55 2dmr s ASP 483 CO 0.17 -0.31 -0.11 -0.51 0.52 0.00 0.00 175.17 174.93 2dmr s ILE 484 N -2.46 0.82 0.09 4.11 2.07 -1.26 0.63 121.20 125.20 2dmr s ILE 484 Ca 0.13 -0.70 -0.24 0.00 -1.41 0.00 0.00 60.65 58.44 2dmr s ILE 484 Cb 0.03 -0.74 0.06 0.00 0.13 0.00 0.00 42.46 41.95 2dmr s ILE 484 CO -0.04 0.05 0.57 -0.70 -1.91 0.00 0.00 174.94 172.91 2dmr s GLU 485 N -0.73 1.16 0.28 3.50 2.56 -0.92 -1.04 118.70 123.50 2dmr s GLU 485 Ca 0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 54.97 54.46 2dmr s GLU 485 Cb -0.06 0.53 -0.09 0.00 2.00 0.00 0.00 34.13 36.51 2dmr s GLU 485 CO 0.00 -0.46 0.81 0.99 -0.56 0.00 0.00 175.26 176.05 2dmr s THR 486 N -2.98 4.45 -0.41 -1.70 2.01 -1.26 0.10 115.64 115.85 2dmr s THR 486 Ca -0.02 1.45 -0.11 0.00 0.31 0.00 0.00 61.69 63.32 2dmr s THR 486 Cb -0.00 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.69 2dmr s THR 486 CO -0.06 0.12 0.26 -0.63 -0.69 0.00 0.00 174.62 173.62 2dmr s ILE 487 N -1.63 4.48 0.00 1.82 1.01 -0.51 -1.79 121.20 124.57 2dmr s ILE 487 Ca 0.48 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.96 2dmr s ILE 487 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2dmr s ILE 487 CO 0.21 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2dmr n GLY 488 N 4.98 0.81 0.32 6.18 0.00 0.15 -1.66 105.19 115.98 2dmr n GLY 488 Ca -0.11 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.03 2dmr n GLY 488 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dmr h ASP 489 N 0.00 0.61 0.00 1.61 3.32 -1.80 -2.37 116.42 117.79 2dmr h ASP 489 Ca 0.00 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.85 2dmr h ASP 489 Cb 0.00 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2dmr h ASP 489 CO 0.00 0.45 -1.69 -1.22 -1.72 0.00 0.00 179.24 175.06 2dmr n TYR 490 N -4.45 0.00 0.15 4.55 4.01 -1.26 -4.76 117.16 115.40 2dmr n TYR 490 Ca 0.05 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.81 2dmr n TYR 490 Cb 0.05 -0.47 0.10 0.00 -0.31 0.00 0.00 39.34 38.72 2dmr n TYR 490 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2dmr h SER 491 N -0.00 0.00 -6.48 7.72 4.64 -1.72 -3.41 113.55 114.30 2dmr h SER 491 Ca -0.27 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.55 2dmr h SER 491 Cb 1.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.46 2dmr h SER 491 CO -0.04 0.51 -0.88 -3.20 -0.87 0.00 0.00 176.83 172.35 2dmr n ASN 492 N -3.32 -0.45 -0.35 4.97 5.15 -0.89 -0.30 115.26 120.06 2dmr n ASN 492 Ca 0.01 -1.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.00 2dmr n ASN 492 Cb 0.69 -3.11 0.16 0.00 -0.53 0.00 0.00 39.78 36.99 2dmr n ASN 492 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2dmr h THR 493 N -1.83 1.17 -1.67 -0.44 2.02 -1.57 -3.40 112.91 107.18 2dmr h THR 493 Ca -0.63 -0.42 0.14 0.00 0.77 0.00 0.00 66.41 66.27 2dmr h THR 493 Cb 1.37 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2dmr h THR 493 CO 0.62 0.22 0.38 0.61 0.37 0.00 0.00 175.52 177.73 2dmr n GLY 494 N -1.38 0.54 3.24 2.16 0.00 -1.21 -1.07 105.19 107.47 2dmr n GLY 494 Ca 0.13 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 2dmr n GLY 494 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmr s ILE 495 N -2.14 2.13 0.02 -0.61 1.01 -0.66 -1.43 121.20 119.52 2dmr s ILE 495 Ca 0.13 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.82 2dmr s ILE 495 Cb -0.01 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2dmr s ILE 495 CO 0.00 0.56 -0.07 -0.22 0.00 0.00 0.00 174.94 175.21 2dmr s LEU 496 N 0.26 3.17 -0.36 2.97 2.96 0.12 -2.15 118.68 125.65 2dmr s LEU 496 Ca -0.16 -0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 53.39 2dmr s LEU 496 Cb -0.17 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.68 2dmr s LEU 496 CO 0.08 0.27 0.58 0.00 -1.32 0.00 0.00 176.35 175.95 2dmr s ALA 497 N -1.04 3.45 -0.88 5.97 0.00 0.83 -2.17 121.76 127.94 2dmr s ALA 497 Ca 0.18 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 2dmr s ALA 497 Cb -0.11 -3.11 0.15 0.00 0.00 0.00 0.00 23.12 20.04 2dmr s ALA 497 CO 0.09 -1.34 1.02 -1.64 0.00 0.00 0.00 175.76 173.89 2dmr s MET 498 N 2.56 3.55 0.31 0.00 -1.94 0.21 -4.53 119.30 119.45 2dmr s MET 498 Ca 0.21 -1.86 -0.25 0.00 -1.71 0.00 0.00 55.69 52.09 2dmr s MET 498 Cb -0.15 -4.75 -0.10 0.00 2.01 0.00 0.00 34.83 31.85 2dmr s MET 498 CO 0.15 -1.65 0.90 0.15 -0.01 0.00 0.00 175.02 174.55 2dmr s LYS 499 N 2.17 4.50 0.33 2.03 1.02 -1.24 -0.75 119.74 127.81 2dmr s LYS 499 Ca 0.28 1.22 -0.29 0.00 0.02 0.00 0.00 55.97 57.20 2dmr s LYS 499 Cb -0.07 -2.79 -0.11 0.00 -0.52 0.00 0.00 37.83 34.33 2dmr s LYS 499 CO -0.08 0.29 1.56 0.21 -0.92 0.00 0.00 175.35 176.42 2dmr s LYS 500 N -2.08 4.10 -0.17 1.68 2.20 -0.95 -4.78 119.74 119.74 2dmr s LYS 500 Ca 0.49 2.60 -0.06 0.00 -0.36 0.00 0.00 55.97 58.64 2dmr s LYS 500 Cb -0.18 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.07 2dmr s LYS 500 CO 0.23 -0.61 -0.21 -0.89 -0.36 0.00 0.00 175.35 173.51 2dmr n ILE 501 N 1.42 0.95 -4.32 5.43 5.41 -0.40 -4.96 119.36 122.90 2dmr n ILE 501 Ca 0.05 -0.27 -0.17 0.00 1.00 0.00 0.00 62.75 63.36 2dmr n ILE 501 Cb 0.38 -1.59 -0.10 0.00 -0.71 0.00 0.00 39.64 37.63 2dmr n ILE 501 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2dmr s VAL 502 N -2.32 0.44 0.37 1.39 -7.23 -1.09 -4.94 120.40 107.02 2dmr s VAL 502 Ca -0.24 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.69 2dmr s VAL 502 Cb 0.09 -2.58 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 2dmr s VAL 502 CO 0.32 0.00 0.95 -1.61 -0.31 0.00 0.00 175.10 174.45 2dmr s GLU 503 N -3.97 4.44 -0.02 4.82 0.41 -1.26 -4.42 118.70 118.70 2dmr s GLU 503 Ca 0.37 1.25 -0.39 0.00 -0.41 0.00 0.00 54.97 55.80 2dmr s GLU 503 Cb 0.07 -2.56 -0.17 0.00 -1.78 0.00 0.00 34.13 29.69 2dmr s GLU 503 CO 0.15 0.15 1.36 -2.30 -0.49 0.00 0.00 175.26 174.13 2dmr n PRO 504 N 0.09 0.85 -2.48 0.39 -0.02 -1.26 -4.90 135.00 127.67 2dmr n PRO 504 Ca 0.04 0.31 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2dmr n PRO 504 Cb 0.52 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2dmr n PRO 504 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2dmr s LEU 505 N 1.02 3.76 0.00 2.45 1.43 -1.26 -4.81 118.68 121.26 2dmr s LEU 505 Ca 0.89 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2dmr s LEU 505 Cb -1.07 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 40.61 2dmr s LEU 505 CO 0.54 -0.73 0.00 -1.22 0.23 0.00 0.00 176.35 175.17 2dmr n TYR 506 N -1.21 0.00 -1.12 0.29 4.01 -1.26 -0.27 117.16 117.60 2dmr n TYR 506 Ca 0.08 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.88 2dmr n TYR 506 Cb 0.53 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.79 2dmr n TYR 506 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2dmr n GLU 507 N 8.11 2.38 -1.71 -0.72 1.02 -0.72 -5.04 120.64 123.95 2dmr n GLU 507 Ca 0.00 -2.88 -0.37 0.00 -0.02 0.00 0.00 57.16 53.88 2dmr n GLU 507 Cb 0.00 -1.78 0.06 0.00 -0.02 0.00 0.00 31.44 29.70 2dmr n GLU 507 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dmr n ALA 508 N -0.82 1.08 -2.54 0.62 0.00 0.63 -4.85 120.51 114.63 2dmr n ALA 508 Ca 0.23 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 2dmr n ALA 508 Cb 0.88 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.93 2dmr n ALA 508 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dmr s ARG 509 N -3.20 0.50 0.62 0.00 0.52 -0.02 -4.76 118.95 112.61 2dmr s ARG 509 Ca 0.80 -0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 54.93 2dmr s ARG 509 Cb -0.39 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.24 2dmr s ARG 509 CO 0.43 -0.10 1.14 -1.54 0.02 0.00 0.00 175.30 175.25 2dmr s SER 510 N -2.24 5.25 0.19 0.23 1.04 -1.26 -1.78 113.70 115.12 2dmr s SER 510 Ca -0.04 2.15 -0.12 0.00 0.48 0.00 0.00 55.95 58.41 2dmr s SER 510 Cb -0.00 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.65 2dmr s SER 510 CO -0.06 -1.54 1.85 0.44 0.98 0.00 0.00 173.24 174.92 2dmr h ASP 511 N 0.52 0.72 -0.55 7.02 3.32 -1.94 -2.20 116.42 123.32 2dmr h ASP 511 Ca -0.48 -0.03 0.11 0.00 0.02 0.00 0.00 57.03 56.65 2dmr h ASP 511 Cb 1.26 -0.18 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 2dmr h ASP 511 CO 0.55 0.53 -0.17 0.22 -1.72 0.00 0.00 179.24 178.65 2dmr h TYR 512 N 0.85 -0.39 -0.66 4.55 5.03 -1.95 0.15 116.97 124.55 2dmr h TYR 512 Ca 0.23 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.56 2dmr h TYR 512 Cb -0.09 0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 2dmr h TYR 512 CO -0.03 -0.27 0.29 -0.44 -1.32 0.00 0.00 178.16 176.40 2dmr h ASP 513 N -0.04 0.88 -0.44 -2.11 3.32 -1.81 0.45 116.42 116.67 2dmr h ASP 513 Ca 0.26 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2dmr h ASP 513 Cb 0.44 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2dmr h ASP 513 CO -0.58 0.79 0.06 0.40 -1.72 0.00 0.00 179.24 178.19 2dmr h ILE 514 N 0.92 1.25 -0.04 0.35 2.04 -0.77 -2.25 117.51 119.00 2dmr h ILE 514 Ca 0.22 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 65.05 2dmr h ILE 514 Cb 0.16 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2dmr h ILE 514 CO -0.02 0.32 -0.53 -0.26 0.00 0.00 0.00 178.15 177.65 2dmr h PHE 515 N 0.60 0.14 -0.18 1.37 0.04 -0.51 -2.45 116.94 115.95 2dmr h PHE 515 Ca 0.13 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 2dmr h PHE 515 Cb 0.39 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2dmr h PHE 515 CO 0.03 0.62 0.10 0.00 -0.60 0.00 0.00 178.31 178.46 2dmr h ALA 516 N 1.37 0.23 -0.99 2.45 0.00 -0.72 0.17 119.26 121.77 2dmr h ALA 516 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2dmr h ALA 516 Cb 0.97 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2dmr h ALA 516 CO 0.08 -0.25 0.65 0.00 0.00 0.00 0.00 179.25 179.73 2dmr h ALA 517 N 1.00 1.29 -0.05 0.00 0.00 -1.29 -0.90 119.26 119.32 2dmr h ALA 517 Ca 0.06 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 2dmr h ALA 517 Cb 0.06 -0.36 0.02 0.00 0.00 0.00 0.00 17.79 17.51 2dmr h ALA 517 CO -0.01 0.56 -0.97 0.28 0.00 0.00 0.00 179.25 179.11 2dmr h VAL 518 N 1.27 1.28 -0.97 0.00 2.07 -1.29 -2.95 116.25 115.65 2dmr h VAL 518 Ca 0.39 -2.16 0.07 0.00 0.82 0.00 0.00 66.70 65.81 2dmr h VAL 518 Cb -0.04 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2dmr h VAL 518 CO -0.11 0.68 0.63 0.00 0.02 0.00 0.00 177.57 178.78 2dmr h ALA 519 N 0.45 1.45 -0.68 1.67 0.00 -0.49 -1.83 119.26 119.83 2dmr h ALA 519 Ca -0.11 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2dmr h ALA 519 Cb 1.61 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 2dmr h ALA 519 CO 0.19 0.40 0.39 1.49 0.00 0.00 0.00 179.25 181.73 2dmr h GLU 520 N 1.12 0.72 0.00 0.00 4.57 -1.10 0.11 114.58 120.00 2dmr h GLU 520 Ca 0.42 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 2dmr h GLU 520 Cb 0.20 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2dmr h GLU 520 CO -0.17 0.48 0.00 0.00 -1.18 0.00 0.00 179.01 178.14 2dmr h ARG 521 N 0.74 0.00 -0.24 1.92 3.08 -1.18 -1.37 114.38 117.34 2dmr h ARG 521 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2dmr h ARG 521 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2dmr h ARG 521 CO -0.16 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.02 2dmr n LEU 522 N -2.73 1.41 -1.30 3.04 4.77 -0.91 -4.89 117.00 116.37 2dmr n LEU 522 Ca 0.02 -0.68 -0.11 0.00 -0.03 0.00 0.00 56.01 55.21 2dmr n LEU 522 Cb 0.32 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2dmr n LEU 522 CO 0.26 0.34 -0.12 0.61 -1.33 0.00 0.00 177.39 177.15 2dmr n GLY 523 N 0.96 -0.06 1.64 -0.72 0.00 -0.51 -4.95 105.19 101.55 2dmr n GLY 523 Ca 0.11 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.74 2dmr n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dmr n LYS 524 N -2.10 0.50 0.06 1.61 4.76 0.34 -4.98 118.16 118.35 2dmr n LYS 524 Ca -0.12 -2.41 -0.12 0.00 -2.87 0.00 0.00 58.31 52.79 2dmr n LYS 524 Cb 0.59 -0.46 -0.07 0.00 -1.84 0.00 0.00 35.03 33.25 2dmr n LYS 524 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2dmr h GLY 525 N 1.28 -0.06 1.99 0.72 0.00 -1.79 -2.81 103.07 102.40 2dmr h GLY 525 Ca -0.18 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2dmr h GLY 525 CO 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 176.54 176.56 2dmr h ALA 526 N 0.86 1.85 -0.11 3.60 0.00 -1.93 -0.37 119.26 123.16 2dmr h ALA 526 Ca -0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2dmr h ALA 526 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2dmr h ALA 526 CO 0.01 0.11 -0.45 0.93 0.00 0.00 0.00 179.25 179.85 2dmr h GLU 527 N 0.02 0.26 0.06 0.00 3.07 -1.94 0.11 114.58 116.16 2dmr h GLU 527 Ca 0.00 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2dmr h GLU 527 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2dmr h GLU 527 CO 0.01 0.67 -0.03 0.35 -1.40 0.00 0.00 179.01 178.61 2dmr h PHE 528 N 0.21 -0.07 0.02 4.33 3.57 -0.86 -3.38 116.94 120.76 2dmr h PHE 528 Ca 0.01 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 2dmr h PHE 528 Cb 0.88 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2dmr h PHE 528 CO 0.02 0.53 -0.96 1.79 -2.23 0.00 0.00 178.31 177.45 2dmr h THR 529 N -0.88 1.62 -1.33 4.41 1.35 -1.27 -3.48 112.91 113.33 2dmr h THR 529 Ca -0.01 -3.08 -0.25 0.00 -0.55 0.00 0.00 66.41 62.52 2dmr h THR 529 Cb 0.63 2.71 -0.05 0.00 -1.73 0.00 0.00 68.15 69.71 2dmr h THR 529 CO 0.01 0.88 -0.29 1.21 -0.25 0.00 0.00 175.52 177.09 2dmr n GLU 530 N -3.48 -0.95 -1.19 4.72 4.07 0.39 -2.73 120.64 121.46 2dmr n GLU 530 Ca -0.02 0.74 -0.06 0.00 -0.06 0.00 0.00 57.16 57.76 2dmr n GLU 530 Cb 0.89 -4.87 -0.03 0.00 -0.06 0.00 0.00 31.44 27.37 2dmr n GLU 530 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dmr n GLY 531 N -1.18 0.74 3.58 8.31 0.00 -1.26 -5.00 105.19 110.38 2dmr n GLY 531 Ca -0.14 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2dmr n GLY 531 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmr s LYS 532 N -2.20 2.09 0.36 1.61 1.02 -1.11 -5.12 119.74 116.39 2dmr s LYS 532 Ca 0.00 -1.28 0.04 0.00 0.02 0.00 0.00 55.97 54.75 2dmr s LYS 532 Cb 0.00 -2.17 0.04 0.00 -0.52 0.00 0.00 37.83 35.18 2dmr s LYS 532 CO 0.00 0.43 0.32 -0.40 -0.92 0.00 0.00 175.35 174.78 2dmr n ASP 533 N -0.05 1.97 -0.19 2.83 5.75 -1.26 -4.89 116.55 120.71 2dmr n ASP 533 Ca -0.10 -2.17 -0.12 0.00 -0.01 0.00 0.00 54.79 52.39 2dmr n ASP 533 Cb 0.56 -0.08 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 2dmr n ASP 533 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dmr h GLU 534 N 0.00 -0.29 0.00 0.11 4.81 -2.00 -1.02 114.58 116.19 2dmr h GLU 534 Ca -0.21 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 2dmr h GLU 534 Cb 0.82 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2dmr h GLU 534 CO 0.33 -0.19 -0.31 0.52 -0.73 0.00 0.00 179.01 178.63 2dmr h MET 535 N -0.30 0.00 -0.11 1.92 2.86 -1.96 -2.19 114.93 115.15 2dmr h MET 535 Ca 0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2dmr h MET 535 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2dmr h MET 535 CO -0.66 0.31 0.06 0.78 1.06 0.00 0.00 176.91 178.46 2dmr h GLY 536 N 1.74 0.16 0.93 8.32 0.00 -1.60 -0.31 103.07 112.32 2dmr h GLY 536 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2dmr h GLY 536 CO 0.04 0.07 0.07 1.49 0.00 0.00 0.00 176.54 178.21 2dmr h TRP 537 N 0.09 0.69 -0.72 5.60 4.06 -1.03 -2.67 115.95 121.97 2dmr h TRP 537 Ca 0.04 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 2dmr h TRP 537 Cb 0.06 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.00 2dmr h TRP 537 CO -0.05 0.68 0.32 0.82 -3.56 0.00 0.00 178.44 176.65 2dmr h ILE 538 N 0.50 1.24 -0.23 1.49 2.04 -1.24 -2.25 117.51 119.07 2dmr h ILE 538 Ca 0.12 -0.72 -0.11 0.00 1.00 0.00 0.00 64.86 65.15 2dmr h ILE 538 Cb 0.36 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2dmr h ILE 538 CO 0.01 0.30 -0.33 0.50 0.00 0.00 0.00 178.15 178.62 2dmr h LYS 539 N 1.02 0.47 -0.01 2.37 3.64 -1.03 -2.35 116.57 120.69 2dmr h LYS 539 Ca 0.24 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2dmr h LYS 539 Cb 0.16 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2dmr h LYS 539 CO -0.03 0.75 -0.51 0.66 -2.27 0.00 0.00 179.45 178.06 2dmr h SER 540 N 0.41 0.02 -0.11 4.20 4.64 -1.14 -1.00 113.55 120.57 2dmr h SER 540 Ca 0.05 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2dmr h SER 540 Cb 0.77 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2dmr h SER 540 CO 0.06 0.52 -0.15 -0.26 -0.87 0.00 0.00 176.83 176.13 2dmr h PHE 541 N 0.01 0.36 -0.39 4.77 0.04 -1.05 -2.60 116.94 118.08 2dmr h PHE 541 Ca -0.00 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.67 2dmr h PHE 541 Cb 0.90 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 2dmr h PHE 541 CO 0.00 0.75 0.21 -0.92 -0.60 0.00 0.00 178.31 177.75 2dmr h TYR 542 N -0.13 0.39 -0.97 -0.55 5.03 -1.36 -2.49 116.97 116.90 2dmr h TYR 542 Ca 0.01 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.37 2dmr h TYR 542 Cb 0.71 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.81 2dmr h TYR 542 CO 0.10 0.22 0.63 -0.44 -1.32 0.00 0.00 178.16 177.35 2dmr h ASP 543 N 0.43 1.07 -0.55 -2.11 3.32 -1.20 0.20 116.42 117.57 2dmr h ASP 543 Ca 0.16 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2dmr h ASP 543 Cb 0.05 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2dmr h ASP 543 CO -0.10 0.74 0.36 -0.78 -1.72 0.00 0.00 179.24 177.74 2dmr h ASP 544 N 1.24 0.60 -0.13 6.45 3.58 -1.05 0.30 116.42 127.42 2dmr h ASP 544 Ca 0.38 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.70 2dmr h ASP 544 Cb -0.04 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2dmr h ASP 544 CO -0.11 0.43 -0.32 0.00 -2.88 0.00 0.00 179.24 176.36 2dmr h ALA 545 N 1.22 0.90 -0.54 -0.78 0.00 -1.04 -1.94 119.26 117.09 2dmr h ALA 545 Ca 0.21 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2dmr h ALA 545 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2dmr h ALA 545 CO -0.06 0.62 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 2dmr h ALA 546 N 1.13 0.76 -0.43 0.00 0.00 -0.54 0.43 119.26 120.62 2dmr h ALA 546 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2dmr h ALA 546 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2dmr h ALA 546 CO 0.07 0.67 -0.09 1.57 0.00 0.00 0.00 179.25 181.47 2dmr h LYS 547 N 0.91 0.83 0.16 0.00 2.10 -0.83 -0.68 116.57 119.06 2dmr h LYS 547 Ca 0.14 -0.31 0.02 0.00 -2.00 0.00 0.00 60.65 58.49 2dmr h LYS 547 Cb 0.69 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.93 2dmr h LYS 547 CO 0.05 0.94 -0.33 0.37 -2.00 0.00 0.00 179.45 178.48 2dmr h GLN 548 N 0.65 -0.56 -0.42 0.07 4.15 -1.05 -1.82 115.11 116.13 2dmr h GLN 548 Ca 0.11 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.65 2dmr h GLN 548 Cb 0.62 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.37 2dmr h GLN 548 CO 0.04 -0.37 -0.04 0.78 -1.93 0.00 0.00 178.83 177.31 2dmr h GLY 549 N -0.58 0.38 -0.00 2.39 0.00 0.03 -2.33 103.07 102.95 2dmr h GLY 549 Ca 0.02 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.50 2dmr h GLY 549 CO -0.17 -0.13 -0.31 1.70 0.00 0.00 0.00 176.54 177.63 2dmr h LYS 550 N 0.06 -0.30 -0.17 4.80 3.64 -0.69 0.20 116.57 124.12 2dmr h LYS 550 Ca 0.20 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 2dmr h LYS 550 Cb 0.30 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2dmr h LYS 550 CO -0.38 -0.20 0.18 0.00 -2.27 0.00 0.00 179.45 176.79 2dmr h ALA 551 N 0.63 1.80 -0.64 5.00 0.00 -0.80 -0.40 119.26 124.85 2dmr h ALA 551 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dmr h ALA 551 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dmr h ALA 551 CO -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.54 2dmr n ALA 552 N -2.35 3.31 -2.44 0.00 0.00 -0.32 -4.94 120.51 113.78 2dmr n ALA 552 Ca 0.01 -1.70 -0.13 0.00 0.00 0.00 0.00 53.44 51.63 2dmr n ALA 552 Cb 0.30 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.71 2dmr n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmr n GLY 553 N 1.01 -0.09 3.17 0.00 0.00 -0.16 -5.01 105.19 104.12 2dmr n GLY 553 Ca 0.27 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2dmr n GLY 553 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmr s VAL 554 N -2.75 2.61 0.22 1.61 1.01 0.57 -5.00 120.40 118.67 2dmr s VAL 554 Ca 0.08 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2dmr s VAL 554 Cb -0.04 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 2dmr s VAL 554 CO 0.10 0.28 0.72 -1.10 0.00 0.00 0.00 175.10 175.10 2dmr s GLN 555 N 1.30 4.27 -0.00 2.72 -0.21 -1.26 -2.88 119.66 123.58 2dmr s GLN 555 Ca 0.01 0.88 -0.00 0.00 0.02 0.00 0.00 55.36 56.26 2dmr s GLN 555 Cb -0.16 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 30.95 2dmr s GLN 555 CO -0.07 0.41 0.01 -1.64 -2.12 0.00 0.00 175.29 171.88 2dmr s MET 556 N -1.92 0.03 1.20 2.91 -1.94 -1.26 -5.02 119.30 113.30 2dmr s MET 556 Ca 0.42 0.00 -0.18 0.00 -1.71 0.00 0.00 55.69 54.23 2dmr s MET 556 Cb -0.17 0.01 0.25 0.00 2.01 0.00 0.00 34.83 36.93 2dmr s MET 556 CO 0.21 -0.00 0.55 -2.30 -0.01 0.00 0.00 175.02 173.46 2dmr n PRO 557 N 3.03 -3.17 -2.52 2.03 -0.02 -1.26 -4.99 135.00 128.09 2dmr n PRO 557 Ca -0.12 -0.93 -0.28 0.00 -2.02 0.00 0.00 63.50 60.14 2dmr n PRO 557 Cb 0.60 -1.71 -0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2dmr n PRO 557 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dmr s ALA 558 N -2.13 3.35 0.17 3.55 0.00 -1.26 -4.80 121.76 120.63 2dmr s ALA 558 Ca 0.52 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 2dmr s ALA 558 Cb -0.10 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 2dmr s ALA 558 CO 0.48 -0.39 1.55 0.35 0.00 0.00 0.00 175.76 177.75 2dmr h PHE 559 N 0.19 -1.67 -0.42 0.00 3.57 -1.96 -1.51 116.94 115.15 2dmr h PHE 559 Ca -0.46 0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 2dmr h PHE 559 Cb 1.20 0.84 -0.02 0.00 2.79 0.00 0.00 35.95 40.76 2dmr h PHE 559 CO 0.60 -0.41 0.22 -0.44 -2.23 0.00 0.00 178.31 176.05 2dmr h ASP 560 N -0.10 0.50 0.11 0.41 3.32 -1.98 1.00 116.42 119.67 2dmr h ASP 560 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2dmr h ASP 560 Cb 0.49 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2dmr h ASP 560 CO -0.85 0.42 -0.05 0.00 -1.72 0.00 0.00 179.24 177.03 2dmr h ALA 561 N 1.67 -0.14 -0.64 3.45 0.00 -1.68 -0.49 119.26 121.43 2dmr h ALA 561 Ca 0.15 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2dmr h ALA 561 Cb 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2dmr h ALA 561 CO -0.02 -0.53 0.30 0.35 0.00 0.00 0.00 179.25 179.34 2dmr h PHE 562 N -0.23 0.54 -0.37 0.00 3.57 -0.87 -1.44 116.94 118.14 2dmr h PHE 562 Ca -0.01 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2dmr h PHE 562 Cb 0.19 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2dmr h PHE 562 CO -0.04 0.20 -0.20 2.35 -2.23 0.00 0.00 178.31 178.39 2dmr h TRP 563 N 0.54 0.79 -0.58 0.41 2.91 -0.50 0.34 115.95 119.87 2dmr h TRP 563 Ca 0.31 -0.17 -0.07 0.00 1.13 0.00 0.00 58.89 60.09 2dmr h TRP 563 Cb 0.31 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 2dmr h TRP 563 CO -0.12 0.85 0.06 0.00 -1.03 0.00 0.00 178.44 178.20 2dmr h ALA 564 N 1.15 1.02 0.19 2.65 0.00 -0.61 -2.89 119.26 120.78 2dmr h ALA 564 Ca 0.09 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 2dmr h ALA 564 Cb 0.68 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2dmr h ALA 564 CO 0.05 0.62 -1.36 0.93 0.00 0.00 0.00 179.25 179.48 2dmr h GLU 565 N 0.89 0.41 0.00 0.00 5.08 -1.08 -3.48 114.58 116.39 2dmr h GLU 565 Ca 0.18 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2dmr h GLU 565 Cb 0.43 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2dmr h GLU 565 CO 0.01 1.33 0.00 0.41 -1.00 0.00 0.00 179.01 179.77 2dmr n GLY 566 N 1.62 2.55 3.27 -3.84 0.00 0.12 -4.99 105.19 103.93 2dmr n GLY 566 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 2dmr n GLY 566 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dmr s ILE 567 N -2.22 0.03 -0.10 -0.61 2.07 -1.25 -0.12 121.20 119.00 2dmr s ILE 567 Ca 0.00 -0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.02 2dmr s ILE 567 Cb 0.00 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 41.99 2dmr s ILE 567 CO 0.00 -0.13 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.05 2dmr s VAL 568 N -0.67 1.46 -0.03 4.00 1.01 -0.91 -5.00 120.40 120.26 2dmr s VAL 568 Ca -0.08 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2dmr s VAL 568 Cb -0.04 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2dmr s VAL 568 CO 0.03 0.43 -0.06 -1.61 0.00 0.00 0.00 175.10 173.89 2dmr s GLU 569 N 0.84 2.67 0.23 2.72 2.02 -1.26 -1.66 118.70 124.25 2dmr s GLU 569 Ca -0.10 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 54.32 2dmr s GLU 569 Cb -0.15 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 2dmr s GLU 569 CO 0.01 0.63 0.25 -0.06 0.02 0.00 0.00 175.26 176.11 2dmr s PHE 570 N -0.93 3.26 0.51 1.61 0.08 -0.24 -4.96 117.98 117.32 2dmr s PHE 570 Ca 0.15 -0.05 -0.08 0.00 0.12 0.00 0.00 56.93 57.08 2dmr s PHE 570 Cb -0.11 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 2dmr s PHE 570 CO 0.05 0.49 0.86 -1.25 -0.10 0.00 0.00 175.22 175.27 2dmr s PRO 571 N -3.73 3.61 -0.24 0.24 0.04 -1.26 -4.88 135.00 128.78 2dmr s PRO 571 Ca 0.33 0.41 -0.05 0.00 0.04 0.00 0.00 61.00 61.73 2dmr s PRO 571 Cb -0.09 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2dmr s PRO 571 CO 0.26 -0.28 0.01 0.08 0.04 0.00 0.00 177.00 177.12 2dmr s VAL 572 N -2.80 3.77 0.00 -0.36 1.01 -1.26 -2.03 120.40 118.73 2dmr s VAL 572 Ca 0.50 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2dmr s VAL 572 Cb -0.10 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2dmr s VAL 572 CO 0.45 0.34 0.00 0.35 0.00 0.00 0.00 175.10 176.24 2dmr n THR 573 N 4.85 0.00 -0.14 3.92 -2.24 -1.26 -4.86 114.28 114.54 2dmr n THR 573 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2dmr n THR 573 Cb 0.50 -0.78 0.18 0.00 -2.10 0.00 0.00 70.33 68.13 2dmr n THR 573 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2dmr n ASP 574 N -0.94 3.10 0.00 3.42 5.75 -1.26 -4.70 116.55 121.92 2dmr n ASP 574 Ca 0.00 -1.96 0.06 0.00 -0.01 0.00 0.00 54.79 52.88 2dmr n ASP 574 Cb 0.00 -0.27 0.28 0.00 -1.03 0.00 0.00 41.12 40.10 2dmr n ASP 574 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dmr n GLY 575 N 0.82 -0.78 0.86 6.12 0.00 -1.26 -2.54 105.19 108.42 2dmr n GLY 575 Ca 0.14 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2dmr n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmr n ALA 576 N -1.38 2.48 0.41 4.61 0.00 -1.26 -3.79 120.51 121.58 2dmr n ALA 576 Ca 0.04 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 52.88 2dmr n ALA 576 Cb 0.11 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 18.71 2dmr n ALA 576 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dmr n ASP 577 N 1.10 1.79 -4.71 0.00 8.00 -1.05 -4.35 116.55 117.32 2dmr n ASP 577 Ca 0.15 -1.39 -0.42 0.00 0.71 0.00 0.00 54.79 53.84 2dmr n ASP 577 Cb 0.54 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 2dmr n ASP 577 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2dmr s PHE 578 N -0.84 3.24 -0.20 1.24 5.36 -1.25 -4.95 117.98 120.58 2dmr s PHE 578 Ca 0.11 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 57.05 2dmr s PHE 578 Cb 0.08 -3.68 0.04 0.00 -0.34 0.00 0.00 43.02 39.12 2dmr s PHE 578 CO 0.13 -2.38 -0.12 0.08 -1.46 0.00 0.00 175.22 171.47 2dmr s VAL 579 N 1.13 1.75 0.30 3.12 1.01 -1.26 -1.55 120.40 124.90 2dmr s VAL 579 Ca 0.65 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2dmr s VAL 579 Cb -0.37 -1.78 -0.12 0.00 0.00 0.00 0.00 36.38 34.12 2dmr s VAL 579 CO 0.30 0.22 1.56 -1.14 0.00 0.00 0.00 175.10 176.04 2dmr n ARG 580 N 4.65 2.62 -1.00 2.72 0.63 -1.26 -2.51 116.66 122.51 2dmr n ARG 580 Ca -0.16 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 2dmr n ARG 580 Cb 0.47 -2.69 0.00 0.00 0.45 0.00 0.00 32.46 30.69 2dmr n ARG 580 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dmr n TYR 581 N 1.87 0.00 0.10 -0.14 4.01 -1.26 -3.88 117.16 117.86 2dmr n TYR 581 Ca 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 2dmr n TYR 581 Cb 0.36 -0.98 0.27 0.00 -0.31 0.00 0.00 39.34 38.69 2dmr n TYR 581 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dmr h ALA 582 N 0.00 1.23 0.04 -0.72 0.00 -1.65 -2.35 119.26 115.81 2dmr h ALA 582 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 2dmr h ALA 582 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dmr h ALA 582 CO 0.00 0.52 -1.02 0.66 0.00 0.00 0.00 179.25 179.41 2dmr h SER 583 N 0.20 0.40 -0.32 0.00 4.64 -1.91 -2.05 113.55 114.52 2dmr h SER 583 Ca 0.03 -0.36 0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2dmr h SER 583 Cb 0.69 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2dmr h SER 583 CO 0.05 1.20 0.17 0.15 -0.87 0.00 0.00 176.83 177.53 2dmr h PHE 584 N 0.14 0.32 -0.49 4.77 3.57 -1.70 -2.33 116.94 121.22 2dmr h PHE 584 Ca -0.08 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.30 2dmr h PHE 584 Cb 1.69 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 2dmr h PHE 584 CO 0.05 0.18 -0.19 -0.09 -2.23 0.00 0.00 178.31 176.03 2dmr h ARG 585 N 0.35 0.99 -0.33 1.11 2.43 -1.41 -2.74 114.38 114.79 2dmr h ARG 585 Ca 0.13 -0.41 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2dmr h ARG 585 Cb 0.03 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2dmr h ARG 585 CO -0.08 1.09 0.11 1.49 -1.51 0.00 0.00 179.97 181.08 2dmr h GLU 586 N 0.85 0.25 -1.71 0.20 4.81 -1.17 -3.40 114.58 114.41 2dmr h GLU 586 Ca 0.12 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 59.06 2dmr h GLU 586 Cb 0.76 -0.06 -0.28 0.00 0.63 0.00 0.00 28.75 29.81 2dmr h GLU 586 CO 0.06 0.16 -0.61 0.34 -0.73 0.00 0.00 179.01 178.24 2dmr s ASP 587 N -5.35 0.46 0.48 1.04 -1.08 -0.89 -5.03 116.67 106.30 2dmr s ASP 587 Ca -0.13 -1.17 0.23 0.00 -0.52 0.00 0.00 52.55 50.96 2dmr s ASP 587 Cb 0.11 0.96 1.23 0.00 -1.46 0.00 0.00 42.92 43.76 2dmr s ASP 587 CO 0.71 -0.26 2.00 1.55 0.52 0.00 0.00 175.17 179.69 2dmr h PRO 588 N 7.28 0.00 -0.04 4.34 0.13 -1.71 0.12 132.00 142.13 2dmr h PRO 588 Ca 0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.98 2dmr h PRO 588 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2dmr h PRO 588 CO 0.19 0.18 -0.66 -0.07 -0.23 0.00 0.00 178.00 177.41 2dmr h LEU 589 N 0.00 0.64 -0.38 1.56 3.38 -1.96 -2.83 115.31 115.72 2dmr h LEU 589 Ca -0.00 -0.72 -0.19 0.00 0.09 0.00 0.00 57.88 57.07 2dmr h LEU 589 Cb 0.41 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dmr h LEU 589 CO 0.02 1.27 -0.67 0.25 0.09 0.00 0.00 178.44 179.40 2dmr h LEU 590 N 0.07 0.67 -6.01 1.67 5.85 -1.90 -3.38 115.31 112.28 2dmr h LEU 590 Ca -0.07 -0.40 -0.58 0.00 0.84 0.00 0.00 57.88 57.67 2dmr h LEU 590 Cb 1.34 -0.19 -0.41 0.00 0.37 0.00 0.00 40.66 41.76 2dmr h LEU 590 CO 0.13 1.15 -0.79 0.59 -0.34 0.00 0.00 178.44 179.19 2dmr n ASN 591 N -3.91 2.64 -4.81 1.25 3.02 0.01 -5.11 115.26 108.34 2dmr n ASN 591 Ca -0.05 -3.23 -0.30 0.00 -0.03 0.00 0.00 54.58 50.97 2dmr n ASN 591 Cb 0.68 -0.64 0.09 0.00 -0.61 0.00 0.00 39.78 39.29 2dmr n ASN 591 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dmr s PRO 592 N -2.23 2.13 0.76 3.52 0.04 -1.07 -4.25 135.00 133.90 2dmr s PRO 592 Ca 0.40 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 2dmr s PRO 592 Cb 0.18 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.85 2dmr s PRO 592 CO -0.06 -1.59 1.11 -0.51 0.04 0.00 0.00 177.00 176.00 2dmr s LEU 593 N -5.75 2.71 -0.26 -3.56 1.43 -0.60 -4.95 118.68 107.70 2dmr s LEU 593 Ca 0.61 1.12 -0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2dmr s LEU 593 Cb -0.14 -3.80 0.21 0.00 0.03 0.00 0.00 46.19 42.49 2dmr s LEU 593 CO 0.54 -1.66 1.88 0.61 0.23 0.00 0.00 176.35 177.95 2dmr n GLY 594 N -2.76 3.73 3.94 -3.19 0.00 -1.26 -4.28 105.19 101.37 2dmr n GLY 594 Ca 0.07 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 2dmr n GLY 594 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmr s THR 595 N -1.88 2.76 0.23 2.61 -4.23 -1.26 -4.65 115.64 109.21 2dmr s THR 595 Ca 0.26 -1.18 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 2dmr s THR 595 Cb 0.21 -2.94 0.17 0.00 1.34 0.00 0.00 72.50 71.29 2dmr s THR 595 CO 0.01 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.23 2dmr h PRO 596 N 0.81 0.63 0.00 3.99 0.11 -1.92 -1.63 132.00 133.99 2dmr h PRO 596 Ca -0.40 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 2dmr h PRO 596 Cb 1.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2dmr h PRO 596 CO 0.51 0.42 -0.56 1.79 -0.21 0.00 0.00 178.00 179.94 2dmr h THR 597 N 0.65 0.38 0.00 -1.15 1.35 -1.95 -3.48 112.91 108.71 2dmr h THR 597 Ca 0.35 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2dmr h THR 597 Cb 0.33 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2dmr h THR 597 CO -0.25 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 2dmr n GLY 598 N 1.20 0.55 3.52 5.82 0.00 -0.61 -4.98 105.19 110.69 2dmr n GLY 598 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2dmr n GLY 598 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmr s LEU 599 N 0.00 2.07 -0.09 0.99 1.43 -1.26 -1.55 118.68 120.27 2dmr s LEU 599 Ca 0.00 -1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 51.22 2dmr s LEU 599 Cb 0.00 -0.25 -0.06 0.00 0.03 0.00 0.00 46.19 45.92 2dmr s LEU 599 CO 0.00 -0.83 1.81 -0.63 0.23 0.00 0.00 176.35 176.93 2dmr s ILE 600 N -3.21 3.37 -0.55 -0.59 1.01 -0.11 -4.76 121.20 116.37 2dmr s ILE 600 Ca 0.26 0.43 -0.19 0.00 0.00 0.00 0.00 60.65 61.15 2dmr s ILE 600 Cb 0.04 -3.33 0.08 0.00 0.01 0.00 0.00 42.46 39.26 2dmr s ILE 600 CO 0.14 -0.10 0.67 -1.61 0.00 0.00 0.00 174.94 174.04 2dmr s GLU 601 N 4.63 3.09 0.08 2.79 2.02 -0.92 0.18 118.70 130.58 2dmr s GLU 601 Ca 0.81 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 54.79 2dmr s GLU 601 Cb -0.34 -4.17 -0.23 0.00 0.10 0.00 0.00 34.13 29.49 2dmr s GLU 601 CO 0.34 -1.37 1.15 0.82 0.02 0.00 0.00 175.26 176.21 2dmr h ILE 602 N 5.89 1.53 -3.77 -1.63 2.04 -1.42 -3.43 117.51 116.72 2dmr h ILE 602 Ca -0.28 -3.24 -0.68 0.00 1.00 0.00 0.00 64.86 61.66 2dmr h ILE 602 Cb 1.09 2.80 -0.26 0.00 -0.74 0.00 0.00 36.82 39.71 2dmr h ILE 602 CO 1.03 0.89 -0.79 -0.47 0.00 0.00 0.00 178.15 178.81 2dmr s TYR 603 N -2.68 2.69 -0.27 1.37 6.14 -1.08 -4.26 117.35 119.27 2dmr s TYR 603 Ca -0.01 -0.46 -0.02 0.00 0.64 0.00 0.00 57.07 57.22 2dmr s TYR 603 Cb 0.09 -1.70 0.03 0.00 0.42 0.00 0.00 41.96 40.80 2dmr s TYR 603 CO 0.83 -0.04 -0.03 0.45 0.64 0.00 0.00 175.55 177.39 2dmr s SER 604 N -0.22 4.53 0.22 4.32 0.15 0.24 -4.74 113.70 118.20 2dmr s SER 604 Ca 0.00 -0.96 -0.02 0.00 0.70 0.00 0.00 55.95 55.68 2dmr s SER 604 Cb -0.13 -1.69 0.19 0.00 -1.71 0.00 0.00 66.02 62.68 2dmr s SER 604 CO 0.03 -0.17 1.57 0.11 1.20 0.00 0.00 173.24 175.98 2dmr h LYS 605 N 8.03 0.54 0.09 5.44 1.57 -1.98 -0.84 116.57 129.42 2dmr h LYS 605 Ca -0.30 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2dmr h LYS 605 Cb 1.10 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2dmr h LYS 605 CO 0.57 0.88 -0.08 -0.97 -0.57 0.00 0.00 179.45 179.28 2dmr h ASN 606 N 0.44 -0.22 0.19 0.86 -0.73 -1.97 0.12 115.58 114.26 2dmr h ASN 606 Ca 0.03 0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.12 2dmr h ASN 606 Cb 0.96 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 2dmr h ASN 606 CO 0.09 -0.13 -0.37 0.40 -0.37 0.00 0.00 177.43 177.05 2dmr h ILE 607 N -0.19 1.29 -0.59 2.57 2.04 -1.90 -2.16 117.51 118.57 2dmr h ILE 607 Ca 0.00 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.37 2dmr h ILE 607 Cb 0.18 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2dmr h ILE 607 CO -0.02 0.43 0.05 -0.08 0.00 0.00 0.00 178.15 178.53 2dmr h GLU 608 N 0.22 0.99 -0.46 2.37 4.81 -0.80 -2.42 114.58 119.30 2dmr h GLU 608 Ca 0.02 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2dmr h GLU 608 Cb 0.75 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2dmr h GLU 608 CO 0.06 0.95 0.26 0.87 -0.73 0.00 0.00 179.01 180.41 2dmr h LYS 609 N 0.93 0.62 -0.22 1.92 6.56 -0.11 -2.73 116.57 123.53 2dmr h LYS 609 Ca 0.18 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 2dmr h LYS 609 Cb 0.47 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2dmr h LYS 609 CO 0.02 0.45 0.07 0.52 -2.06 0.00 0.00 179.45 178.45 2dmr h MET 610 N 0.63 0.30 -0.28 3.15 2.86 -1.16 -3.47 114.93 116.97 2dmr h MET 610 Ca 0.16 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 2dmr h MET 610 Cb 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2dmr h MET 610 CO -0.03 0.27 -0.09 0.41 1.06 0.00 0.00 176.91 178.53 2dmr n GLY 611 N -1.31 0.66 3.66 8.32 0.00 -1.03 -5.01 105.19 110.49 2dmr n GLY 611 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2dmr n GLY 611 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dmr s TYR 612 N -2.18 2.92 0.18 1.61 2.02 -1.26 -4.95 117.35 115.70 2dmr s TYR 612 Ca 0.00 1.06 -0.13 0.00 -0.37 0.00 0.00 57.07 57.63 2dmr s TYR 612 Cb 0.00 -3.48 0.15 0.00 -0.40 0.00 0.00 41.96 38.23 2dmr s TYR 612 CO 0.00 -1.59 1.79 0.38 -1.57 0.00 0.00 175.55 174.56 2dmr h ASP 613 N 8.06 0.38 -0.29 2.29 2.03 -1.99 -2.76 116.42 124.13 2dmr h ASP 613 Ca -0.27 0.03 -0.04 0.00 -0.73 0.00 0.00 57.03 56.02 2dmr h ASP 613 Cb 1.11 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.55 2dmr h ASP 613 CO 0.96 0.26 0.05 -0.90 -1.03 0.00 0.00 179.24 178.58 2dmr n ASP 614 N -4.88 3.16 -2.77 4.15 5.68 -1.26 -4.43 116.55 116.19 2dmr n ASP 614 Ca 0.05 -2.47 -0.04 0.00 -0.50 0.00 0.00 54.79 51.83 2dmr n ASP 614 Cb 0.14 -0.60 0.01 0.00 -1.14 0.00 0.00 41.12 39.54 2dmr n ASP 614 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dmr n PRO 616 N 2.98 -4.04 -0.04 0.00 -0.02 -1.25 -4.49 135.00 128.14 2dmr n PRO 616 Ca 0.16 -1.56 0.10 0.00 -2.02 0.00 0.00 63.50 60.19 2dmr n PRO 616 Cb 0.57 -1.74 0.47 0.00 -0.02 0.00 0.00 33.50 32.78 2dmr n PRO 616 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dmr n ALA 617 N -5.34 2.56 -2.99 3.55 0.00 -1.26 -4.83 120.51 112.20 2dmr n ALA 617 Ca -0.20 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 2dmr n ALA 617 Cb 0.58 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2dmr n ALA 617 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2dmr s HIS 618 N -1.89 -0.18 0.07 0.00 -3.43 -1.26 0.80 115.29 109.40 2dmr s HIS 618 Ca 0.32 -0.09 -0.36 0.00 -0.80 0.00 0.00 55.06 54.12 2dmr s HIS 618 Cb 0.16 0.22 -0.16 0.00 -1.43 0.00 0.00 32.58 31.37 2dmr s HIS 618 CO 0.25 -0.66 1.41 -2.30 -2.00 0.00 0.00 174.74 171.44 2dmr n PRO 619 N -0.05 1.32 -3.87 -0.38 -0.02 -1.26 -4.97 135.00 125.77 2dmr n PRO 619 Ca -0.16 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 2dmr n PRO 619 Cb 0.63 -2.14 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 2dmr n PRO 619 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2dmr s THR 620 N 0.78 0.04 -0.18 3.45 2.01 -1.26 -5.05 115.64 115.43 2dmr s THR 620 Ca 0.84 -0.36 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 2dmr s THR 620 Cb -0.92 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 2dmr s THR 620 CO 0.47 -0.20 0.56 0.86 -0.69 0.00 0.00 174.62 175.61 2dmr s TRP 621 N -0.64 3.40 0.16 4.92 -0.11 -1.26 -4.92 118.94 120.50 2dmr s TRP 621 Ca -0.07 0.86 0.05 0.00 1.22 0.00 0.00 56.10 58.16 2dmr s TRP 621 Cb -0.04 -2.70 -0.05 0.00 -1.50 0.00 0.00 33.47 29.18 2dmr s TRP 621 CO 0.00 -0.08 -0.11 -1.64 -4.62 0.00 0.00 176.95 170.51 2dmr s MET 622 N 1.53 1.14 -0.02 5.86 -1.94 -1.26 -5.13 119.30 119.49 2dmr s MET 622 Ca 0.26 -1.50 -0.27 0.00 -1.71 0.00 0.00 55.69 52.48 2dmr s MET 622 Cb -0.16 -0.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.91 2dmr s MET 622 CO 0.10 0.09 0.86 -1.21 -0.01 0.00 0.00 175.02 174.86 2dmr s GLU 623 N -3.73 4.52 0.84 2.03 0.41 -1.26 -5.03 118.70 116.48 2dmr s GLU 623 Ca 0.19 1.20 -0.12 0.00 -0.41 0.00 0.00 54.97 55.83 2dmr s GLU 623 Cb 0.02 -3.45 0.10 0.00 -1.78 0.00 0.00 34.13 29.02 2dmr s GLU 623 CO 0.02 0.02 1.11 -1.25 -0.49 0.00 0.00 175.26 174.67 2dmr s PRO 624 N 0.82 1.73 0.24 0.39 0.04 -1.26 -4.94 135.00 132.02 2dmr s PRO 624 Ca 0.46 0.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.02 2dmr s PRO 624 Cb -0.20 -1.88 0.45 0.00 0.04 0.00 0.00 34.50 32.90 2dmr s PRO 624 CO 0.24 -1.85 1.71 1.25 0.04 0.00 0.00 177.00 178.39 2dmr h LEU 625 N -1.25 0.15 -7.16 -3.56 5.85 -1.95 -3.41 115.31 103.97 2dmr h LEU 625 Ca -0.48 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 2dmr h LEU 625 Cb 1.29 0.14 -0.25 0.00 0.37 0.00 0.00 40.66 42.21 2dmr h LEU 625 CO 0.59 0.04 -0.18 -1.83 -0.34 0.00 0.00 178.44 176.72 2dmr s GLU 626 N -6.04 0.51 0.08 1.25 -1.05 -1.26 -5.07 118.70 107.12 2dmr s GLU 626 Ca -0.13 0.91 -0.00 0.00 -0.15 0.00 0.00 54.97 55.60 2dmr s GLU 626 Cb 0.21 0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2dmr s GLU 626 CO 0.76 -0.15 -0.02 -0.98 0.95 0.00 0.00 175.26 175.82 2dmr s ARG 627 N 1.34 0.73 0.04 -4.83 1.70 -1.26 -4.74 118.95 111.93 2dmr s ARG 627 Ca -0.09 -1.29 -0.31 0.00 -0.47 0.00 0.00 55.73 53.58 2dmr s ARG 627 Cb -0.07 0.11 -0.07 0.00 -0.57 0.00 0.00 34.95 34.35 2dmr s ARG 627 CO -0.13 -0.11 1.43 -1.17 -1.08 0.00 0.00 175.30 174.23 2dmr s LEU 628 N -2.98 4.34 -1.37 -1.89 2.96 -1.26 -2.58 118.68 115.89 2dmr s LEU 628 Ca 0.11 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 2dmr s LEU 628 Cb 0.07 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2dmr s LEU 628 CO -0.06 -0.72 0.00 0.47 -1.32 0.00 0.00 176.35 174.71 2dmr n ASP 629 N 5.01 -4.59 -4.87 3.68 8.00 -1.26 -5.00 116.55 117.51 2dmr n ASP 629 Ca 0.13 0.12 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 2dmr n ASP 629 Cb 0.43 -3.61 -0.02 0.00 -0.02 0.00 0.00 41.12 37.89 2dmr n ASP 629 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2dmr s GLY 630 N -2.52 1.90 -0.37 0.44 0.00 -1.07 -4.94 107.32 100.76 2dmr s GLY 630 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 44.72 44.24 2dmr s GLY 630 CO 0.00 0.11 2.17 -1.55 0.00 0.00 0.00 173.10 173.83 2dmr n PRO 631 N -1.63 0.87 -1.07 2.90 -0.04 -1.26 -1.48 135.00 133.30 2dmr n PRO 631 Ca 0.04 0.24 -0.02 0.00 -0.04 0.00 0.00 63.50 63.71 2dmr n PRO 631 Cb 0.54 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 2dmr n PRO 631 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dmr n GLY 632 N 6.69 0.58 3.69 0.55 0.00 -1.26 -5.00 105.19 110.43 2dmr n GLY 632 Ca 0.44 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2dmr n GLY 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmr n ALA 633 N 1.04 1.85 0.08 4.61 0.00 -0.55 -4.92 120.51 122.63 2dmr n ALA 633 Ca -0.02 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.73 2dmr n ALA 633 Cb 0.11 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 2dmr n ALA 633 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dmr h LYS 634 N 5.83 0.24 -6.52 0.00 3.64 -1.93 -3.47 116.57 114.36 2dmr h LYS 634 Ca -0.45 -0.30 -0.65 0.00 -1.27 0.00 0.00 60.65 57.99 2dmr h LYS 634 Cb 1.24 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 33.00 2dmr h LYS 634 CO 0.88 1.05 -0.73 0.71 -2.27 0.00 0.00 179.45 179.09 2dmr s TYR 635 N -3.04 2.69 -0.01 1.91 2.02 -1.26 -5.06 117.35 114.60 2dmr s TYR 635 Ca -0.03 -0.19 0.12 0.00 -0.37 0.00 0.00 57.07 56.60 2dmr s TYR 635 Cb 0.09 -1.37 -0.22 0.00 -0.40 0.00 0.00 41.96 40.06 2dmr s TYR 635 CO 0.85 0.46 0.82 -1.00 -1.57 0.00 0.00 175.55 175.10 2dmr h PRO 636 N 3.32 0.00 -6.16 -1.71 0.13 -1.90 -3.45 132.00 122.23 2dmr h PRO 636 Ca -0.48 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 2dmr h PRO 636 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 2dmr h PRO 636 CO 0.53 0.59 -0.68 -0.51 -0.23 0.00 0.00 178.00 177.69 2dmr s LEU 637 N -6.21 3.24 -0.21 1.56 1.43 -0.54 -4.83 118.68 113.12 2dmr s LEU 637 Ca -0.03 -0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 2dmr s LEU 637 Cb 0.08 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2dmr s LEU 637 CO 0.82 0.34 0.45 -2.28 0.23 0.00 0.00 176.35 175.91 2dmr s HIS 638 N -0.88 3.35 -0.45 0.29 5.65 0.10 -0.55 115.29 122.81 2dmr s HIS 638 Ca 0.14 0.65 -0.21 0.00 0.25 0.00 0.00 55.06 55.89 2dmr s HIS 638 Cb -0.11 -2.59 0.03 0.00 -1.18 0.00 0.00 32.58 28.72 2dmr s HIS 638 CO 0.03 -0.08 0.69 0.42 -0.65 0.00 0.00 174.74 175.16 2dmr s ILE 639 N 1.56 4.76 -1.21 0.89 1.01 -1.01 0.13 121.20 127.33 2dmr s ILE 639 Ca 0.21 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.82 2dmr s ILE 639 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 2dmr s ILE 639 CO 0.09 -0.66 1.83 0.00 0.00 0.00 0.00 174.94 176.20 2dmr s ALA 640 N 2.98 2.47 -1.36 9.38 0.00 0.21 -4.66 121.76 130.79 2dmr s ALA 640 Ca 0.24 -2.45 -0.09 0.00 0.00 0.00 0.00 51.96 49.66 2dmr s ALA 640 Cb -0.14 -4.65 -0.10 0.00 0.00 0.00 0.00 23.12 18.22 2dmr s ALA 640 CO 0.20 -4.34 2.93 0.00 0.00 0.00 0.00 175.76 174.54 2dmr n ALA 641 N 11.64 7.08 -1.96 0.00 0.00 -1.24 -3.69 120.51 132.34 2dmr n ALA 641 Ca 0.46 -3.14 -0.17 0.00 0.00 0.00 0.00 53.44 50.59 2dmr n ALA 641 Cb 0.47 -3.21 0.14 0.00 0.00 0.00 0.00 19.45 16.84 2dmr n ALA 641 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dmr n SER 642 N 3.53 0.38 -4.74 0.00 3.41 -1.26 -4.11 113.62 110.82 2dmr n SER 642 Ca 0.71 -1.53 -0.40 0.00 -0.26 0.00 0.00 58.87 57.38 2dmr n SER 642 Cb 0.29 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 2dmr n SER 642 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2dmr s HIS 643 N -2.94 3.86 0.42 7.33 3.76 -1.26 -1.20 115.29 125.26 2dmr s HIS 643 Ca 0.56 1.83 -0.24 0.00 -0.15 0.00 0.00 55.06 57.05 2dmr s HIS 643 Cb -0.02 -3.06 -0.08 0.00 1.11 0.00 0.00 32.58 30.53 2dmr s HIS 643 CO 0.38 0.20 1.16 -1.25 -0.85 0.00 0.00 174.74 174.38 2dmr s PRO 644 N -0.74 3.98 -0.06 8.40 0.04 -1.26 -4.90 135.00 140.46 2dmr s PRO 644 Ca 0.44 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 2dmr s PRO 644 Cb -0.26 -2.59 -0.22 0.00 0.04 0.00 0.00 34.50 31.47 2dmr s PRO 644 CO 0.32 -0.37 1.12 0.35 0.04 0.00 0.00 177.00 178.46 2dmr h PHE 645 N 2.46 0.01 -0.89 0.56 3.04 -1.95 -3.34 116.94 116.82 2dmr h PHE 645 Ca -0.49 -0.00 -0.39 0.00 3.98 0.00 0.00 57.97 61.07 2dmr h PHE 645 Cb 1.24 -0.00 -0.23 0.00 2.56 0.00 0.00 35.95 39.51 2dmr h PHE 645 CO 0.55 0.65 0.49 0.09 -2.02 0.00 0.00 178.31 178.07 2dmr n ASN 646 N -4.78 4.27 -4.00 0.41 3.02 -1.26 -4.91 115.26 108.01 2dmr n ASN 646 Ca -0.09 -3.44 -0.10 0.00 -0.03 0.00 0.00 54.58 50.92 2dmr n ASN 646 Cb 0.32 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 2dmr n ASN 646 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2dmr s ARG 647 N -3.17 1.18 -0.54 3.52 0.52 -1.25 -4.91 118.95 114.29 2dmr s ARG 647 Ca 0.56 -1.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 2dmr s ARG 647 Cb 0.46 0.37 0.14 0.00 0.52 0.00 0.00 34.95 36.44 2dmr s ARG 647 CO 0.12 -0.43 0.31 -1.17 0.02 0.00 0.00 175.30 174.16 2dmr s LEU 648 N -3.00 4.76 0.00 2.53 2.96 -1.02 -4.62 118.68 120.29 2dmr s LEU 648 Ca 0.20 -2.84 0.00 0.00 -0.22 0.00 0.00 54.13 51.27 2dmr s LEU 648 Cb 0.04 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.99 2dmr s LEU 648 CO 0.02 -0.31 0.00 1.41 -1.32 0.00 0.00 176.35 176.15 2dmr n HIS 649 N 3.41 0.00 0.71 5.38 8.25 -1.26 -0.99 115.22 130.72 2dmr n HIS 649 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.64 2dmr n HIS 649 Cb 0.36 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.67 2dmr n HIS 649 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2dmr n SER 650 N 8.76 0.61 -4.74 0.41 3.41 -1.26 -4.35 113.62 116.46 2dmr n SER 650 Ca 0.00 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 2dmr n SER 650 Cb 0.00 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 2dmr n SER 650 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dmr s GLN 651 N -3.11 4.31 0.00 4.33 -0.21 -0.16 -2.87 119.66 121.95 2dmr s GLN 651 Ca 0.08 2.20 0.00 0.00 0.02 0.00 0.00 55.36 57.66 2dmr s GLN 651 Cb 0.15 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 31.00 2dmr s GLN 651 CO 0.71 -0.38 0.00 1.28 -2.12 0.00 0.00 175.29 174.78 2dmr n LEU 652 N 2.71 0.00 0.14 2.90 4.77 -1.26 -2.44 117.00 123.82 2dmr n LEU 652 Ca 0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2dmr n LEU 652 Cb 0.41 -0.34 0.17 0.00 -2.33 0.00 0.00 43.42 41.34 2dmr n LEU 652 CO 0.59 0.00 0.50 -1.13 -1.33 0.00 0.00 177.39 176.02 2dmr h ASN 653 N 0.00 0.00 -0.95 -1.43 -1.24 -1.88 -3.23 115.58 106.85 2dmr h ASN 653 Ca 0.00 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 56.40 2dmr h ASN 653 Cb 0.00 0.00 -0.28 0.00 0.73 0.00 0.00 38.32 38.77 2dmr h ASN 653 CO 0.00 0.61 0.79 0.61 -1.29 0.00 0.00 177.43 178.15 2dmr n GLY 654 N 0.34 5.40 3.55 1.57 0.00 -1.26 -4.62 105.19 110.16 2dmr n GLY 654 Ca -0.01 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 2dmr n GLY 654 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmr s THR 655 N -4.26 0.60 0.51 2.61 -4.23 -1.22 -4.68 115.64 104.97 2dmr s THR 655 Ca 0.60 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.33 2dmr s THR 655 Cb 0.48 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 72.40 2dmr s THR 655 CO 0.02 0.00 2.02 -0.37 -0.54 0.00 0.00 174.62 175.75 2dmr h VAL 656 N 1.71 0.80 -0.78 2.29 -1.51 -1.91 -2.59 116.25 114.26 2dmr h VAL 656 Ca -0.35 -0.02 0.21 0.00 -1.23 0.00 0.00 66.70 65.30 2dmr h VAL 656 Cb 1.28 0.74 -0.04 0.00 -2.13 0.00 0.00 31.29 31.14 2dmr h VAL 656 CO 0.57 0.01 0.55 -0.07 -1.23 0.00 0.00 177.57 177.40 2dmr h LEU 657 N 0.06 0.14 -2.60 4.19 3.38 -1.94 -2.63 115.31 115.92 2dmr h LEU 657 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dmr h LEU 657 Cb 0.77 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dmr h LEU 657 CO -0.01 0.06 0.00 -0.09 0.09 0.00 0.00 178.44 178.49 2dmr h ARG 658 N 0.14 0.00 0.00 1.13 2.43 -1.72 -2.56 114.38 113.81 2dmr h ARG 658 Ca 0.38 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.53 2dmr h ARG 658 Cb 1.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2dmr h ARG 658 CO -0.06 0.00 -0.11 1.49 -1.51 0.00 0.00 179.97 179.78 2dmr h GLU 659 N 0.00 0.00 -0.01 0.20 4.57 -1.71 -0.77 114.58 116.87 2dmr h GLU 659 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dmr h GLU 659 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2dmr h GLU 659 CO -0.00 0.11 -0.30 0.41 -1.18 0.00 0.00 179.01 178.05 2dmr n GLY 660 N -1.08 -0.67 0.00 1.92 0.00 -0.96 -4.40 105.19 100.00 2dmr n GLY 660 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2dmr n GLY 660 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2dmr n TYR 661 N -0.73 0.00 -2.09 1.61 0.18 -1.10 -5.07 117.16 109.96 2dmr n TYR 661 Ca 0.11 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.53 2dmr n TYR 661 Cb 0.35 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.33 2dmr n TYR 661 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dmr s ALA 662 N -1.03 2.77 -0.29 -3.48 0.00 -0.31 -4.20 121.76 115.22 2dmr s ALA 662 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2dmr s ALA 662 Cb 0.00 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.76 2dmr s ALA 662 CO 0.00 -0.97 -0.03 0.08 0.00 0.00 0.00 175.76 174.84 2dmr s VAL 663 N -1.55 2.01 -1.33 0.00 1.01 0.14 -4.63 120.40 116.04 2dmr s VAL 663 Ca 0.71 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2dmr s VAL 663 Cb -0.31 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2dmr s VAL 663 CO 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.17 2dmr n GLN 664 N 4.44 -1.11 -0.42 2.72 6.02 -1.26 -1.82 117.38 125.94 2dmr n GLN 664 Ca -0.07 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2dmr n GLN 664 Cb 0.42 -5.05 0.00 0.00 1.02 0.00 0.00 30.24 26.64 2dmr n GLN 664 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dmr n GLY 665 N -1.07 0.71 3.85 1.08 0.00 -1.26 -5.06 105.19 103.43 2dmr n GLY 665 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2dmr n GLY 665 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dmr s HIS 666 N -2.85 2.74 0.26 1.61 3.76 -0.76 -4.99 115.29 115.07 2dmr s HIS 666 Ca 0.00 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 2dmr s HIS 666 Cb 0.00 -2.02 -0.10 0.00 1.11 0.00 0.00 32.58 31.57 2dmr s HIS 666 CO 0.00 0.02 1.38 -2.00 -0.85 0.00 0.00 174.74 173.29 2dmr s GLU 667 N -4.05 4.31 0.59 1.40 2.56 -0.95 -0.69 118.70 121.87 2dmr s GLU 667 Ca 0.45 2.23 -0.18 0.00 0.00 0.00 0.00 54.97 57.47 2dmr s GLU 667 Cb -0.03 -3.12 -0.04 0.00 2.00 0.00 0.00 34.13 32.95 2dmr s GLU 667 CO 0.27 -0.33 1.14 -1.25 -0.56 0.00 0.00 175.26 174.52 2dmr s PRO 668 N -0.64 3.10 -0.20 4.30 0.04 -1.26 -2.11 135.00 138.22 2dmr s PRO 668 Ca 0.56 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2dmr s PRO 668 Cb -0.40 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.22 2dmr s PRO 668 CO 0.44 -1.05 -0.00 0.00 0.04 0.00 0.00 177.00 176.43 2dmr s LEU 670 N 1.68 4.07 0.03 0.00 1.43 -0.53 -0.82 118.68 124.53 2dmr s LEU 670 Ca -0.02 0.93 0.07 0.00 -1.03 0.00 0.00 54.13 54.08 2dmr s LEU 670 Cb -0.17 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2dmr s LEU 670 CO -0.07 -0.60 -0.21 -0.32 0.23 0.00 0.00 176.35 175.37 2dmr s MET 671 N 3.00 1.49 0.32 1.70 1.75 -0.42 -2.15 119.30 124.99 2dmr s MET 671 Ca 0.36 -0.90 -0.28 0.00 -1.25 0.00 0.00 55.69 53.62 2dmr s MET 671 Cb -0.14 -1.57 -0.09 0.00 2.84 0.00 0.00 34.83 35.87 2dmr s MET 671 CO 0.10 0.41 1.06 -1.58 -0.65 0.00 0.00 175.02 174.36 2dmr s HIS 672 N -0.72 3.53 0.30 4.11 2.46 -1.25 -1.63 115.29 122.09 2dmr s HIS 672 Ca 0.08 1.71 0.06 0.00 0.47 0.00 0.00 55.06 57.37 2dmr s HIS 672 Cb -0.09 -3.19 0.74 0.00 -0.13 0.00 0.00 32.58 29.91 2dmr s HIS 672 CO 0.01 -0.44 1.77 -1.35 -2.47 0.00 0.00 174.74 172.26 2dmr h PRO 673 N 3.40 0.70 -0.38 2.88 0.11 -1.93 -0.19 132.00 136.60 2dmr h PRO 673 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2dmr h PRO 673 Cb 1.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2dmr h PRO 673 CO 0.65 0.46 0.05 -0.44 -0.21 0.00 0.00 178.00 178.52 2dmr h ASP 674 N 0.72 0.61 -0.01 -2.05 3.32 -1.96 -0.94 116.42 116.11 2dmr h ASP 674 Ca 0.58 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 2dmr h ASP 674 Cb 0.92 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 2dmr h ASP 674 CO -0.40 0.72 -0.12 0.44 -1.72 0.00 0.00 179.24 178.16 2dmr h ASP 675 N 0.47 0.27 -0.03 6.45 3.32 -1.64 -2.39 116.42 122.88 2dmr h ASP 675 Ca 0.11 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 56.85 2dmr h ASP 675 Cb 0.38 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.88 2dmr h ASP 675 CO 0.01 0.43 -0.96 0.00 -1.72 0.00 0.00 179.24 177.00 2dmr h ALA 676 N 1.60 0.20 0.43 3.45 0.00 -0.83 -3.23 119.26 120.88 2dmr h ALA 676 Ca 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2dmr h ALA 676 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2dmr h ALA 676 CO 0.02 0.69 -0.38 0.00 0.00 0.00 0.00 179.25 179.58 2dmr h ALA 677 N 0.47 -0.86 -1.00 0.00 0.00 -0.90 0.56 119.26 117.54 2dmr h ALA 677 Ca -0.10 -0.14 0.33 0.00 0.00 0.00 0.00 54.91 55.00 2dmr h ALA 677 Cb 1.60 0.53 -0.15 0.00 0.00 0.00 0.00 17.79 19.77 2dmr h ALA 677 CO 0.19 -1.02 0.54 0.00 0.00 0.00 0.00 179.25 178.96 2dmr h ALA 678 N -0.43 1.94 -0.52 0.00 0.00 -1.51 0.80 119.26 119.55 2dmr h ALA 678 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dmr h ALA 678 Cb 0.72 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2dmr h ALA 678 CO -0.04 -0.63 0.00 0.54 0.00 0.00 0.00 179.25 179.12 2dmr n ARG 679 N -5.10 2.40 -3.53 0.00 1.74 -1.10 -4.94 116.66 106.12 2dmr n ARG 679 Ca 0.32 -2.15 -0.19 0.00 -0.77 0.00 0.00 57.85 55.05 2dmr n ARG 679 Cb 1.02 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 31.03 2dmr n ARG 679 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dmr n GLY 680 N 1.47 -0.45 3.54 -0.13 0.00 0.28 -4.62 105.19 105.27 2dmr n GLY 680 Ca 0.20 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 2dmr n GLY 680 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmr s ILE 681 N -3.50 4.13 0.03 -0.61 1.01 0.19 -4.90 121.20 117.55 2dmr s ILE 681 Ca 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2dmr s ILE 681 Cb -0.02 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2dmr s ILE 681 CO 0.77 0.49 0.02 0.00 0.00 0.00 0.00 174.94 176.22 2dmr s ALA 682 N 0.33 3.36 -0.05 9.38 0.00 -1.26 -4.41 121.76 129.10 2dmr s ALA 682 Ca -0.02 -0.98 -0.37 0.00 0.00 0.00 0.00 51.96 50.58 2dmr s ALA 682 Cb -0.14 -1.35 -0.15 0.00 0.00 0.00 0.00 23.12 21.48 2dmr s ALA 682 CO 0.02 0.68 1.58 -3.47 0.00 0.00 0.00 175.76 174.57 2dmr n ASP 683 N 1.07 2.32 0.00 0.00 -0.08 -1.26 -1.45 116.55 117.15 2dmr n ASP 683 Ca -0.13 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.23 2dmr n ASP 683 Cb 0.52 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.76 2dmr n ASP 683 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dmr n GLY 684 N 3.46 0.34 3.80 0.27 0.00 -0.11 -4.99 105.19 107.97 2dmr n GLY 684 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2dmr n GLY 684 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmr s ASP 685 N -1.99 5.53 -0.10 1.61 1.01 -0.53 -4.71 116.67 117.49 2dmr s ASP 685 Ca 0.00 1.77 -0.22 0.00 0.71 0.00 0.00 52.55 54.81 2dmr s ASP 685 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 2dmr s ASP 685 CO 0.00 -1.34 0.63 -0.69 0.21 0.00 0.00 175.17 173.99 2dmr s VAL 686 N -2.66 5.08 0.26 -1.27 1.01 -1.26 -1.51 120.40 120.05 2dmr s VAL 686 Ca 0.62 1.29 0.11 0.00 0.00 0.00 0.00 61.98 64.00 2dmr s VAL 686 Cb -0.16 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2dmr s VAL 686 CO 0.44 0.25 -0.20 0.68 0.00 0.00 0.00 175.10 176.28 2dmr s VAL 687 N 0.91 2.38 -0.22 2.92 -7.23 0.99 -1.03 120.40 119.11 2dmr s VAL 687 Ca 0.33 -2.36 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 2dmr s VAL 687 Cb -0.17 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 2dmr s VAL 687 CO 0.15 -0.40 0.05 -0.60 -0.31 0.00 0.00 175.10 173.99 2dmr s ARG 688 N -3.46 3.71 -0.21 4.82 3.52 0.15 -1.66 118.95 125.82 2dmr s ARG 688 Ca 0.28 -0.46 -0.04 0.00 -0.13 0.00 0.00 55.73 55.38 2dmr s ARG 688 Cb -0.05 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 2dmr s ARG 688 CO 0.14 -0.04 -0.02 0.08 -0.81 0.00 0.00 175.30 174.65 2dmr s VAL 689 N 1.20 3.66 0.07 7.11 1.01 0.61 -1.57 120.40 132.49 2dmr s VAL 689 Ca 0.04 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 2dmr s VAL 689 Cb -0.14 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2dmr s VAL 689 CO 0.03 0.42 0.37 -1.38 0.00 0.00 0.00 175.10 174.54 2dmr s HIS 690 N 1.28 -0.18 0.00 5.22 -0.00 -0.59 -0.08 115.29 120.94 2dmr s HIS 690 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 55.06 55.11 2dmr s HIS 690 Cb -0.14 0.19 0.00 0.00 -0.00 0.00 0.00 32.58 32.62 2dmr s HIS 690 CO -0.00 -0.59 0.00 0.27 -0.00 0.00 0.00 174.74 174.41 2dmr n ASN 691 N 0.26 0.00 0.09 7.38 0.23 -0.84 -1.37 115.26 121.01 2dmr n ASN 691 Ca -0.18 -0.07 0.13 0.00 -0.53 0.00 0.00 54.58 53.94 2dmr n ASN 691 Cb 0.61 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.75 2dmr n ASN 691 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2dmr n ASP 692 N -0.16 0.69 0.04 0.53 8.00 -1.26 -3.85 116.55 120.54 2dmr n ASP 692 Ca 0.00 0.57 -0.22 0.00 0.71 0.00 0.00 54.79 55.85 2dmr n ASP 692 Cb 0.00 -0.75 -0.14 0.00 -0.02 0.00 0.00 41.12 40.20 2dmr n ASP 692 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2dmr h ARG 693 N 0.00 0.32 0.00 -1.24 3.08 -1.89 -3.50 114.38 111.15 2dmr h ARG 693 Ca 0.00 -0.55 0.17 0.00 0.07 0.00 0.00 59.98 59.67 2dmr h ARG 693 Cb 0.69 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2dmr h ARG 693 CO 0.00 1.26 0.61 0.41 -1.07 0.00 0.00 179.97 181.18 2dmr n GLY 694 N 1.80 0.58 2.86 0.04 0.00 -1.20 -4.78 105.19 104.49 2dmr n GLY 694 Ca -0.24 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 2dmr n GLY 694 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dmr s GLN 695 N -2.05 0.02 0.21 1.61 -2.07 -1.26 -1.99 119.66 114.13 2dmr s GLN 695 Ca 0.23 0.17 0.05 0.00 -1.82 0.00 0.00 55.36 53.99 2dmr s GLN 695 Cb -0.03 -0.12 -0.05 0.00 -1.09 0.00 0.00 33.01 31.72 2dmr s GLN 695 CO 0.05 -0.10 -0.05 0.96 -1.32 0.00 0.00 175.29 174.83 2dmr s ILE 696 N 0.67 1.20 -0.09 3.63 -4.36 0.89 -2.06 121.20 121.08 2dmr s ILE 696 Ca -0.05 -2.07 -0.00 0.00 -0.26 0.00 0.00 60.65 58.26 2dmr s ILE 696 Cb -0.07 -2.17 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 2dmr s ILE 696 CO -0.02 -0.48 -0.05 -0.76 0.24 0.00 0.00 174.94 173.87 2dmr s LEU 697 N -3.28 3.24 0.32 0.37 1.43 -1.03 -0.28 118.68 119.45 2dmr s LEU 697 Ca 0.24 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 2dmr s LEU 697 Cb 0.04 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2dmr s LEU 697 CO 0.06 0.33 0.30 0.42 0.23 0.00 0.00 176.35 177.69 2dmr s THR 698 N -0.61 0.00 -0.12 5.49 -4.23 -0.66 -3.63 115.64 111.88 2dmr s THR 698 Ca 0.09 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 2dmr s THR 698 Cb -0.12 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.21 2dmr s THR 698 CO 0.02 0.00 -0.22 -0.83 -0.54 0.00 0.00 174.62 173.05 2dmr s GLY 699 N -3.32 1.30 0.11 3.99 0.00 -0.90 -0.01 107.32 108.50 2dmr s GLY 699 Ca 0.39 -0.98 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 2dmr s GLY 699 CO 0.24 -0.14 0.85 0.14 0.00 0.00 0.00 173.10 174.19 2dmr s VAL 700 N 0.60 4.51 -0.19 1.40 1.01 -0.57 -0.53 120.40 126.62 2dmr s VAL 700 Ca -0.13 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 2dmr s VAL 700 Cb -0.17 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2dmr s VAL 700 CO 0.03 0.40 -0.11 -0.54 0.00 0.00 0.00 175.10 174.88 2dmr s LYS 701 N -0.41 3.25 -0.13 2.72 3.01 -0.00 -0.93 119.74 127.25 2dmr s LYS 701 Ca 0.41 -0.71 -0.19 0.00 -1.01 0.00 0.00 55.97 54.47 2dmr s LYS 701 Cb -0.23 -2.79 -0.04 0.00 -1.01 0.00 0.00 37.83 33.76 2dmr s LYS 701 CO 0.27 -0.13 0.54 0.08 0.51 0.00 0.00 175.35 176.61 2dmr s VAL 702 N 1.22 5.14 0.02 3.17 1.01 -1.26 -1.29 120.40 128.40 2dmr s VAL 702 Ca 0.02 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.78 2dmr s VAL 702 Cb -0.14 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.44 2dmr s VAL 702 CO -0.05 0.27 0.65 -0.89 0.00 0.00 0.00 175.10 175.08 2dmr s THR 703 N 0.92 0.00 -1.40 3.92 2.01 -0.65 -4.94 115.64 115.51 2dmr s THR 703 Ca 0.28 -0.01 0.16 0.00 0.31 0.00 0.00 61.69 62.43 2dmr s THR 703 Cb -0.16 -1.00 0.59 0.00 0.01 0.00 0.00 72.50 71.94 2dmr s THR 703 CO 0.12 -0.01 1.47 -0.90 -0.69 0.00 0.00 174.62 174.61 2dmr n ASP 704 N 0.50 3.85 0.04 3.53 5.68 -1.26 -3.82 116.55 125.07 2dmr n ASP 704 Ca -0.18 -2.28 -0.12 0.00 -0.50 0.00 0.00 54.79 51.70 2dmr n ASP 704 Cb 0.60 -0.50 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 2dmr n ASP 704 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dmr h ALA 705 N 3.93 -0.03 -2.75 2.12 0.00 -1.93 -3.41 119.26 117.18 2dmr h ALA 705 Ca 0.00 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 54.34 2dmr h ALA 705 Cb 1.15 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dmr h ALA 705 CO 0.15 -0.45 0.44 0.14 0.00 0.00 0.00 179.25 179.53 2dmr s VAL 706 N -5.67 3.64 0.56 0.00 -7.23 -1.25 -1.58 120.40 108.86 2dmr s VAL 706 Ca -0.14 1.59 -0.17 0.00 -1.81 0.00 0.00 61.98 61.45 2dmr s VAL 706 Cb 0.05 -3.99 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 2dmr s VAL 706 CO 0.66 0.34 1.05 0.00 -0.31 0.00 0.00 175.10 176.84 2dmr s MET 707 N -1.53 3.47 0.26 4.82 0.00 -1.07 -4.68 119.30 120.56 2dmr s MET 707 Ca 0.45 1.26 -0.30 0.00 0.00 0.00 0.00 55.69 57.10 2dmr s MET 707 Cb -0.29 -2.05 -0.11 0.00 0.00 0.00 0.00 34.83 32.38 2dmr s MET 707 CO 0.37 -0.69 1.53 0.21 0.00 0.00 0.00 175.02 176.44 2dmr s LYS 708 N -3.80 4.19 0.00 3.16 2.47 -1.26 -2.41 119.74 122.10 2dmr s LYS 708 Ca 0.65 2.44 0.00 0.00 -1.56 0.00 0.00 55.97 57.50 2dmr s LYS 708 Cb -0.16 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 2dmr s LYS 708 CO 0.31 -0.54 0.00 0.41 0.16 0.00 0.00 175.35 175.69 2dmr n GLY 709 N 2.44 1.61 3.35 5.54 0.00 -1.26 -5.05 105.19 111.82 2dmr n GLY 709 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2dmr n GLY 709 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmr s VAL 710 N -2.39 2.23 0.07 1.61 1.01 -1.01 -0.72 120.40 121.19 2dmr s VAL 710 Ca 0.00 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.79 2dmr s VAL 710 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2dmr s VAL 710 CO 0.00 0.43 -0.21 0.27 0.00 0.00 0.00 175.10 175.59 2dmr s ILE 711 N -0.76 1.74 -0.36 2.22 -4.36 0.12 -4.60 121.20 115.21 2dmr s ILE 711 Ca 0.12 -1.36 -0.08 0.00 -0.26 0.00 0.00 60.65 59.06 2dmr s ILE 711 Cb -0.10 -1.54 0.04 0.00 1.25 0.00 0.00 42.46 42.11 2dmr s ILE 711 CO 0.01 0.11 0.16 -1.58 0.24 0.00 0.00 174.94 173.89 2dmr s GLN 712 N -1.49 2.70 -0.21 0.37 0.74 -0.92 0.67 119.66 121.51 2dmr s GLN 712 Ca 0.08 -1.16 0.00 0.00 0.05 0.00 0.00 55.36 54.33 2dmr s GLN 712 Cb -0.09 -3.59 0.05 0.00 1.10 0.00 0.00 33.01 30.48 2dmr s GLN 712 CO 0.03 -0.70 -0.06 0.42 -0.55 0.00 0.00 175.29 174.43 2dmr s ILE 713 N 1.46 1.43 0.56 -2.34 1.01 -1.24 -1.46 121.20 120.62 2dmr s ILE 713 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.43 2dmr s ILE 713 Cb -0.20 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 2dmr s ILE 713 CO 0.04 -0.01 1.08 -0.31 0.00 0.00 0.00 174.94 175.74 2dmr s TYR 714 N 1.46 2.87 0.69 3.97 2.02 -1.26 -3.70 117.35 123.39 2dmr s TYR 714 Ca -0.04 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.10 2dmr s TYR 714 Cb -0.18 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 2dmr s TYR 714 CO -0.07 -1.21 1.06 -1.83 -1.57 0.00 0.00 175.55 171.93 2dmr s GLU 715 N -3.66 2.97 0.00 -0.62 4.04 -0.34 -4.32 118.70 116.77 2dmr s GLU 715 Ca 0.67 0.96 0.00 0.00 0.04 0.00 0.00 54.97 56.65 2dmr s GLU 715 Cb -0.18 -1.99 0.00 0.00 0.02 0.00 0.00 34.13 31.97 2dmr s GLU 715 CO 0.30 -1.07 0.00 0.41 -1.84 0.00 0.00 175.26 173.06 2dmr n GLY 716 N -1.95 0.74 3.75 -3.83 0.00 -1.26 -4.32 105.19 98.31 2dmr n GLY 716 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2dmr n GLY 716 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmr s GLY 717 N -1.60 2.39 -0.48 -0.02 0.00 -1.26 -4.03 107.32 102.32 2dmr s GLY 717 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 44.72 45.73 2dmr s GLY 717 CO 0.00 2.23 1.28 -0.98 0.00 0.00 0.00 173.10 175.63 2dmr s TRP 718 N -0.07 2.57 0.03 1.90 0.52 -1.26 -4.33 118.94 118.29 2dmr s TRP 718 Ca 0.58 0.62 -0.37 0.00 0.02 0.00 0.00 56.10 56.96 2dmr s TRP 718 Cb -0.41 -4.41 -0.16 0.00 -1.15 0.00 0.00 33.47 27.35 2dmr s TRP 718 CO 0.43 -1.66 1.47 0.98 0.02 0.00 0.00 176.95 178.20 2dmr n TYR 719 N 8.52 1.76 -3.44 -1.98 9.36 -1.26 -4.55 117.16 125.57 2dmr n TYR 719 Ca 0.13 0.53 -0.26 0.00 3.32 0.00 0.00 57.90 61.62 2dmr n TYR 719 Cb 0.49 -2.40 -0.09 0.00 -0.63 0.00 0.00 39.34 36.70 2dmr n TYR 719 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2dmr n ASP 720 N 3.36 1.10 -4.74 2.98 2.03 -1.26 -4.73 116.55 115.29 2dmr n ASP 720 Ca 0.20 -2.81 -0.42 0.00 0.52 0.00 0.00 54.79 52.28 2dmr n ASP 720 Cb 0.20 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 39.95 2dmr n ASP 720 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2dmr n PRO 721 N 1.93 2.51 -0.08 -0.67 -0.04 -1.26 -0.78 135.00 136.61 2dmr n PRO 721 Ca 0.25 0.89 -0.12 0.00 -0.04 0.00 0.00 63.50 64.48 2dmr n PRO 721 Cb 0.46 -2.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.27 2dmr n PRO 721 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dmr h SER 722 N 3.67 0.45 -3.14 3.54 0.02 -1.76 -3.43 113.55 112.92 2dmr h SER 722 Ca -0.48 -0.39 -0.27 0.00 -0.84 0.00 0.00 61.79 59.82 2dmr h SER 722 Cb 1.25 -0.12 -0.34 0.00 0.14 0.00 0.00 62.40 63.32 2dmr h SER 722 CO 0.70 0.74 -0.60 -0.62 -1.14 0.00 0.00 176.83 175.91 2dmr s ASP 723 N -6.07 0.46 0.43 3.07 -1.08 -1.26 -5.02 116.67 107.19 2dmr s ASP 723 Ca -0.14 0.38 0.30 0.00 -0.52 0.00 0.00 52.55 52.57 2dmr s ASP 723 Cb 0.07 0.33 1.22 0.00 -1.46 0.00 0.00 42.92 43.08 2dmr s ASP 723 CO 0.76 -0.22 1.88 -0.37 0.52 0.00 0.00 175.17 177.73 2dmr h VAL 724 N 6.27 0.00 0.00 1.11 -1.51 -1.90 -2.56 116.25 117.65 2dmr h VAL 724 Ca -0.21 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2dmr h VAL 724 Cb 1.12 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2dmr h VAL 724 CO 0.21 0.00 -0.57 0.71 -1.23 0.00 0.00 177.57 176.69 2dmr h THR 725 N 0.00 0.00 -3.56 7.19 1.35 -1.94 -3.44 112.91 112.50 2dmr h THR 725 Ca 0.00 -0.56 -0.67 0.00 -0.55 0.00 0.00 66.41 64.63 2dmr h THR 725 Cb 0.45 1.19 -0.17 0.00 -1.73 0.00 0.00 68.15 67.89 2dmr h THR 725 CO 0.00 0.00 -0.03 -0.70 -0.25 0.00 0.00 175.52 174.54 2dmr s GLU 726 N -3.18 3.19 -0.08 4.72 2.12 -0.97 -5.02 118.70 119.48 2dmr s GLU 726 Ca 0.06 -0.56 -0.37 0.00 0.36 0.00 0.00 54.97 54.46 2dmr s GLU 726 Cb 0.13 -3.96 -0.15 0.00 0.26 0.00 0.00 34.13 30.41 2dmr s GLU 726 CO 0.71 -0.94 1.66 -2.30 -0.54 0.00 0.00 175.26 173.85 2dmr n PRO 727 N 5.95 1.55 -1.02 4.30 -0.02 -1.26 -1.00 135.00 143.49 2dmr n PRO 727 Ca -0.04 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 2dmr n PRO 727 Cb 0.48 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2dmr n PRO 727 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dmr n GLY 728 N 3.73 0.46 3.49 -1.23 0.00 -1.26 -4.98 105.19 105.39 2dmr n GLY 728 Ca 0.22 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2dmr n GLY 728 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dmr n THR 729 N -2.97 2.01 -2.26 2.61 5.66 -0.17 -4.66 114.28 114.50 2dmr n THR 729 Ca -0.01 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.08 2dmr n THR 729 Cb 0.03 -0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 68.08 2dmr n THR 729 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2dmr s LEU 730 N 1.08 4.39 -0.18 1.09 2.96 -1.26 -4.69 118.68 122.07 2dmr s LEU 730 Ca 0.64 2.27 -0.29 0.00 -0.22 0.00 0.00 54.13 56.53 2dmr s LEU 730 Cb -0.58 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.51 2dmr s LEU 730 CO 0.57 -0.55 1.05 -0.62 -1.32 0.00 0.00 176.35 175.49 2dmr s ASP 731 N 0.76 7.13 0.40 3.68 2.15 -0.88 -2.20 116.67 127.72 2dmr s ASP 731 Ca 0.60 1.47 0.21 0.00 0.43 0.00 0.00 52.55 55.26 2dmr s ASP 731 Cb -0.35 -2.55 0.72 0.00 -0.30 0.00 0.00 42.92 40.45 2dmr s ASP 731 CO 0.33 -0.60 1.74 0.11 -0.17 0.00 0.00 175.17 176.58 2dmr h LYS 732 N 7.39 0.00 0.00 4.34 1.57 -1.30 -2.73 116.57 125.84 2dmr h LYS 732 Ca -0.24 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.31 2dmr h LYS 732 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2dmr h LYS 732 CO 0.94 0.30 -1.68 0.98 -0.57 0.00 0.00 179.45 179.42 2dmr n TYR 733 N -3.40 0.16 0.00 -1.35 9.36 -1.26 -4.63 117.16 116.04 2dmr n TYR 733 Ca 0.00 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.29 2dmr n TYR 733 Cb 0.49 -0.79 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 2dmr n TYR 733 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2dmr n GLY 734 N 1.38 -0.17 3.52 2.98 0.00 -1.24 -2.24 105.19 109.42 2dmr n GLY 734 Ca -0.33 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2dmr n GLY 734 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dmr s ASP 735 N 0.00 6.35 0.61 1.61 2.15 -1.26 -4.31 116.67 121.82 2dmr s ASP 735 Ca 0.00 -0.35 0.32 0.00 0.43 0.00 0.00 52.55 52.95 2dmr s ASP 735 Cb 0.00 -2.42 1.87 0.00 -0.30 0.00 0.00 42.92 42.07 2dmr s ASP 735 CO 0.00 -1.15 2.19 1.62 -0.17 0.00 0.00 175.17 177.66 2dmr h VAL 736 N 6.01 0.35 0.00 1.11 3.04 -1.86 -1.75 116.25 123.15 2dmr h VAL 736 Ca -0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2dmr h VAL 736 Cb 1.08 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2dmr h VAL 736 CO 1.06 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 178.21 2dmr n ASN 737 N -3.59 0.00 0.22 3.17 3.02 -1.26 -1.90 115.26 114.92 2dmr n ASN 737 Ca -0.01 -1.41 0.13 0.00 -0.03 0.00 0.00 54.58 53.25 2dmr n ASN 737 Cb 0.20 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.61 2dmr n ASN 737 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2dmr h VAL 738 N 0.00 0.00 0.00 2.41 2.07 -1.65 0.09 116.25 119.17 2dmr h VAL 738 Ca 0.00 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2dmr h VAL 738 Cb 0.00 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2dmr h VAL 738 CO 0.00 0.00 -1.06 0.18 0.02 0.00 0.00 177.57 176.71 2dmr n LEU 739 N -3.06 0.46 -4.90 2.57 4.77 -0.80 -3.24 117.00 112.80 2dmr n LEU 739 Ca 0.04 -0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 2dmr n LEU 739 Cb 0.50 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2dmr n LEU 739 CO 0.33 0.12 0.68 -0.94 -1.33 0.00 0.00 177.39 176.24 2dmr s SER 740 N -2.90 5.35 0.13 -1.43 1.04 -1.23 -4.79 113.70 109.88 2dmr s SER 740 Ca 0.02 0.92 0.04 0.00 0.48 0.00 0.00 55.95 57.41 2dmr s SER 740 Cb 0.11 -1.74 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 2dmr s SER 740 CO 0.63 -1.33 0.11 0.00 0.98 0.00 0.00 173.24 173.62 2dmr s ALA 741 N -3.26 3.55 -0.85 5.32 0.00 -1.26 -2.64 121.76 122.61 2dmr s ALA 741 Ca 0.57 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 2dmr s ALA 741 Cb -0.11 -1.37 0.22 0.00 0.00 0.00 0.00 23.12 21.86 2dmr s ALA 741 CO 0.49 0.60 0.77 0.34 0.00 0.00 0.00 175.76 177.96 2dmr s ASP 742 N -2.81 6.40 0.01 0.00 2.15 -1.26 -4.51 116.67 116.64 2dmr s ASP 742 Ca 0.30 -3.11 0.00 0.00 0.43 0.00 0.00 52.55 50.18 2dmr s ASP 742 Cb -0.11 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 40.43 2dmr s ASP 742 CO 0.23 -0.40 -0.02 0.27 -0.17 0.00 0.00 175.17 175.08 2dmr s ILE 743 N -0.46 0.11 0.71 4.11 -4.36 -1.26 -5.04 121.20 115.01 2dmr s ILE 743 Ca 0.22 -0.32 -0.15 0.00 -0.26 0.00 0.00 60.65 60.14 2dmr s ILE 743 Cb -0.12 -0.15 0.03 0.00 1.25 0.00 0.00 42.46 43.47 2dmr s ILE 743 CO -0.08 -0.13 1.19 -0.83 0.24 0.00 0.00 174.94 175.32 2dmr s GLY 744 N -0.47 2.32 0.18 6.27 0.00 -1.26 -3.82 107.32 110.54 2dmr s GLY 744 Ca -0.04 0.82 -0.10 0.00 0.00 0.00 0.00 44.72 45.40 2dmr s GLY 744 CO -0.00 1.21 1.66 -0.91 0.00 0.00 0.00 173.10 175.06 2dmr h THR 745 N -0.19 1.26 -2.56 0.90 1.35 -1.71 -3.45 112.91 108.51 2dmr h THR 745 Ca -0.48 -1.08 0.15 0.00 -0.55 0.00 0.00 66.41 64.46 2dmr h THR 745 Cb 1.29 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 2dmr h THR 745 CO 0.51 0.40 0.57 -0.94 -0.25 0.00 0.00 175.52 175.81 2dmr s SER 746 N -6.49 0.00 0.08 5.36 1.04 -1.26 -0.85 113.70 111.59 2dmr s SER 746 Ca -0.12 -0.69 0.26 0.00 0.48 0.00 0.00 55.95 55.88 2dmr s SER 746 Cb 0.13 0.52 1.02 0.00 0.10 0.00 0.00 66.02 67.79 2dmr s SER 746 CO 0.85 -1.02 1.82 0.29 0.98 0.00 0.00 173.24 176.15 2dmr n LYS 747 N -0.69 0.09 -0.03 4.02 5.02 -1.26 -2.23 118.16 123.08 2dmr n LYS 747 Ca -0.03 0.12 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 2dmr n LYS 747 Cb 0.59 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 2dmr n LYS 747 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2dmr h LEU 748 N 0.00 -0.04 0.00 -0.35 5.85 -1.91 -3.27 115.31 115.58 2dmr h LEU 748 Ca 0.00 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 2dmr h LEU 748 Cb 0.54 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2dmr h LEU 748 CO 0.00 0.70 -1.55 0.00 -0.34 0.00 0.00 178.44 177.25 2dmr n ALA 749 N -2.56 2.26 -3.42 1.25 0.00 -1.25 -0.04 120.51 116.73 2dmr n ALA 749 Ca -0.08 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 2dmr n ALA 749 Cb 0.34 -0.28 0.02 0.00 0.00 0.00 0.00 19.45 19.52 2dmr n ALA 749 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dmr n GLN 750 N -2.00 -4.53 -0.65 0.00 1.13 -0.95 -4.85 117.38 105.53 2dmr n GLN 750 Ca -0.05 0.64 -0.20 0.00 -1.94 0.00 0.00 57.00 55.45 2dmr n GLN 750 Cb 0.41 -5.45 0.17 0.00 0.11 0.00 0.00 30.24 25.48 2dmr n GLN 750 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dmr n GLY 751 N -1.44 -2.78 3.92 1.08 0.00 -1.26 -4.53 105.19 100.19 2dmr n GLY 751 Ca -0.03 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 2dmr n GLY 751 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmr s ASN 752 N -3.42 6.40 -0.58 1.61 2.20 -1.26 -2.44 114.94 117.45 2dmr s ASN 752 Ca 0.47 0.40 0.03 0.00 -0.94 0.00 0.00 52.86 52.82 2dmr s ASN 752 Cb -0.05 -2.01 0.40 0.00 -2.00 0.00 0.00 41.25 37.59 2dmr s ASN 752 CO 0.37 0.02 1.45 0.00 -2.94 0.00 0.00 177.10 175.99 2dmr n GLY 754 N -0.51 -0.59 0.52 0.00 0.00 -1.10 -1.43 105.19 102.07 2dmr n GLY 754 Ca 0.45 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.60 2dmr n GLY 754 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dmr n GLN 755 N -1.73 1.73 -3.00 1.61 6.02 0.09 -4.78 117.38 117.33 2dmr n GLN 755 Ca -0.00 -2.90 -0.38 0.00 -0.01 0.00 0.00 57.00 53.71 2dmr n GLN 755 Cb 0.04 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 29.65 2dmr n GLN 755 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2dmr n THR 756 N -1.15 4.66 -4.99 5.09 -1.04 -0.51 -4.87 114.28 111.47 2dmr n THR 756 Ca 0.20 -5.77 -0.29 0.00 -2.04 0.00 0.00 64.05 56.16 2dmr n THR 756 Cb 0.76 -1.89 -0.16 0.00 -1.82 0.00 0.00 70.33 67.21 2dmr n THR 756 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2dmr s VAL 757 N -3.26 1.68 -0.00 12.58 1.01 -1.26 -4.53 120.40 126.62 2dmr s VAL 757 Ca 0.37 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2dmr s VAL 757 Cb 0.13 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2dmr s VAL 757 CO 0.01 0.48 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 2dmr s LEU 758 N 0.16 2.06 0.34 3.92 1.43 -1.26 -2.41 118.68 122.91 2dmr s LEU 758 Ca -0.09 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 2dmr s LEU 758 Cb -0.14 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2dmr s LEU 758 CO 0.04 0.19 0.60 0.00 0.23 0.00 0.00 176.35 177.41 2dmr s ALA 759 N -0.47 -0.06 0.07 4.21 0.00 0.29 -4.79 121.76 121.02 2dmr s ALA 759 Ca 0.06 -1.06 0.10 0.00 0.00 0.00 0.00 51.96 51.06 2dmr s ALA 759 Cb -0.07 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2dmr s ALA 759 CO -0.00 -0.89 -0.26 -2.00 0.00 0.00 0.00 175.76 172.61 2dmr s GLU 760 N -3.03 1.63 -0.01 0.00 2.56 -0.47 -1.46 118.70 117.91 2dmr s GLU 760 Ca 0.23 -1.18 0.07 0.00 0.00 0.00 0.00 54.97 54.08 2dmr s GLU 760 Cb -0.02 -1.91 -0.02 0.00 2.00 0.00 0.00 34.13 34.17 2dmr s GLU 760 CO 0.14 0.48 -0.21 0.08 -0.56 0.00 0.00 175.26 175.19 2dmr s VAL 761 N -0.90 2.51 0.02 3.70 1.01 -1.26 -1.54 120.40 123.94 2dmr s VAL 761 Ca 0.12 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 2dmr s VAL 761 Cb -0.10 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2dmr s VAL 761 CO 0.03 0.53 0.11 -1.83 0.00 0.00 0.00 175.10 173.94 2dmr s GLU 762 N -0.84 0.53 0.02 2.72 -1.05 -0.61 -4.97 118.70 114.50 2dmr s GLU 762 Ca 0.11 -0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 2dmr s GLU 762 Cb -0.10 0.21 -0.07 0.00 -0.44 0.00 0.00 34.13 33.73 2dmr s GLU 762 CO 0.01 -0.13 1.62 0.21 0.95 0.00 0.00 175.26 177.92 2dmr s LYS 763 N -2.00 4.20 -0.09 -4.83 2.20 -1.26 0.32 119.74 118.28 2dmr s LYS 763 Ca -0.10 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.46 2dmr s LYS 763 Cb -0.05 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 2dmr s LYS 763 CO -0.02 -0.75 1.70 -0.47 -0.36 0.00 0.00 175.35 175.45 2dmr s TYR 764 N 3.06 1.91 -0.05 4.03 5.04 -0.20 -4.72 117.35 126.43 2dmr s TYR 764 Ca 0.73 0.24 0.07 0.00 -2.44 0.00 0.00 57.07 55.66 2dmr s TYR 764 Cb -0.37 -3.96 0.11 0.00 0.35 0.00 0.00 41.96 38.10 2dmr s TYR 764 CO 0.31 -3.79 1.05 0.25 -1.34 0.00 0.00 175.55 172.03 2dmr n THR 765 N 5.80 1.33 -1.00 4.34 -2.24 -1.26 -4.87 114.28 116.38 2dmr n THR 765 Ca 0.18 -1.47 -0.11 0.00 -2.27 0.00 0.00 64.05 60.38 2dmr n THR 765 Cb 0.43 0.22 0.09 0.00 -2.10 0.00 0.00 70.33 68.97 2dmr n THR 765 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmr n GLY 766 N -0.85 -1.97 3.67 3.38 0.00 -1.26 -5.02 105.19 103.13 2dmr n GLY 766 Ca 0.06 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 2dmr n GLY 766 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dmr n PRO 767 N -2.43 0.48 -1.75 1.61 -0.02 -1.26 -4.94 135.00 126.68 2dmr n PRO 767 Ca 0.06 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 2dmr n PRO 767 Cb 0.22 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.38 2dmr n PRO 767 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dmr s ALA 768 N -1.87 2.37 0.10 3.55 0.00 -1.26 -5.01 121.76 119.63 2dmr s ALA 768 Ca 0.75 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.76 2dmr s ALA 768 Cb -0.33 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 2dmr s ALA 768 CO 0.49 -1.49 -0.21 0.54 0.00 0.00 0.00 175.76 175.10 2dmr s VAL 769 N -1.75 1.69 -0.24 0.00 0.11 -1.26 -5.12 120.40 113.83 2dmr s VAL 769 Ca 0.76 -1.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.24 2dmr s VAL 769 Cb -0.30 -1.54 -0.01 0.00 -1.53 0.00 0.00 36.38 33.00 2dmr s VAL 769 CO 0.39 -0.06 0.00 -0.89 -3.33 0.00 0.00 175.10 171.21 2dmr s THR 770 N -1.16 3.71 0.20 5.04 2.01 -1.26 -5.08 115.64 119.10 2dmr s THR 770 Ca 0.06 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 2dmr s THR 770 Cb -0.10 -2.73 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 2dmr s THR 770 CO 0.04 0.36 1.15 -0.76 -0.69 0.00 0.00 174.62 174.71 2dmr s LEU 771 N 1.52 4.48 0.00 4.42 1.43 -1.26 -4.93 118.68 124.34 2dmr s LEU 771 Ca 0.06 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 2dmr s LEU 771 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2dmr s LEU 771 CO -0.01 -0.28 0.62 0.35 0.23 0.00 0.00 176.35 177.27 2dmr n THR 772 N 2.20 0.35 0.55 5.49 -2.24 -1.26 -4.84 114.28 114.53 2dmr n THR 772 Ca 0.03 -0.39 0.12 0.00 -2.27 0.00 0.00 64.05 61.54 2dmr n THR 772 Cb 0.45 0.93 0.28 0.00 -2.10 0.00 0.00 70.33 69.89 2dmr n THR 772 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2dmr h GLY 773 N 0.00 0.00 -2.82 3.38 0.00 -1.92 -3.32 103.07 98.40 2dmr h GLY 773 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dmr h GLY 773 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 2dmr n PHE 774 N -2.29 1.20 -4.51 5.60 3.72 -1.26 -4.86 117.46 115.06 2dmr n PHE 774 Ca 0.04 -0.55 -0.24 0.00 -0.05 0.00 0.00 57.45 56.65 2dmr n PHE 774 Cb 0.45 -0.12 -0.14 0.00 -0.94 0.00 0.00 39.48 38.74 2dmr n PHE 774 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2dmr s VAL 775 N -1.40 1.49 0.75 -4.37 -7.23 -1.25 -4.50 120.40 103.89 2dmr s VAL 775 Ca 0.49 -1.16 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 2dmr s VAL 775 Cb 0.29 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.96 2dmr s VAL 775 CO 0.29 0.11 1.10 0.00 -0.31 0.00 0.00 175.10 176.29 2dmr s ALA 776 N -0.85 2.25 0.27 1.32 0.00 -1.25 -4.94 121.76 118.57 2dmr s ALA 776 Ca 0.05 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 2dmr s ALA 776 Cb -0.09 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 2dmr s ALA 776 CO 0.02 -1.72 1.46 -2.30 0.00 0.00 0.00 175.76 173.22 2dmr n PRO 777 N -3.30 2.30 -0.34 0.00 -0.02 -1.26 -4.87 135.00 127.52 2dmr n PRO 777 Ca 0.10 0.82 0.06 0.00 -2.02 0.00 0.00 63.50 62.45 2dmr n PRO 777 Cb 0.53 -2.51 0.13 0.00 -0.02 0.00 0.00 33.50 31.63 2dmr n PRO 777 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2dmr n LYS 778 N 1.85 -0.08 0.17 -0.52 4.81 -1.26 0.58 118.16 123.71 2dmr n LYS 778 Ca 0.09 1.46 0.14 0.00 -0.87 0.00 0.00 58.31 59.13 2dmr n LYS 778 Cb 0.34 -2.18 0.54 0.00 0.02 0.00 0.00 35.03 33.74 2dmr n LYS 778 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dmr h ALA 779 N 1.87 1.00 -0.39 3.14 0.00 -1.86 -3.04 119.26 119.99 2dmr h ALA 779 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2dmr h ALA 779 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dmr h ALA 779 CO -0.96 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.29 2dmr n ALA 780 N -1.88 2.67 1.55 0.00 0.00 0.20 -4.78 120.51 118.27 2dmr n ALA 780 Ca 0.02 -0.82 0.14 0.00 0.00 0.00 0.00 53.44 52.79 2dmr n ALA 780 Cb 0.27 -1.00 0.57 0.00 0.00 0.00 0.00 19.45 19.29 2dmr n ALA 780 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89