#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r47 n ASP 33 N 0.00 4.86 -0.28 1.96 -0.08 -1.26 -4.48 116.55 117.27 1r47 n ASP 33 Ca 0.00 -2.91 0.05 0.00 -1.51 0.00 0.00 54.79 50.42 1r47 n ASP 33 Cb 0.00 -1.74 0.10 0.00 2.34 0.00 0.00 41.12 41.82 1r47 n ASP 33 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1r47 n ASN 34 N 8.33 2.55 -0.76 1.67 0.23 -1.26 -4.93 115.26 121.09 1r47 n ASN 34 Ca 0.49 -2.41 -0.10 0.00 -0.53 0.00 0.00 54.58 52.03 1r47 n ASN 34 Cb 0.46 -0.23 -0.04 0.00 -2.08 0.00 0.00 39.78 37.88 1r47 n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r47 n GLY 35 N -0.52 1.13 3.44 4.83 0.00 -1.26 -5.00 105.19 107.81 1r47 n GLY 35 Ca 0.09 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1r47 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r47 s LEU 36 N -2.25 2.49 -1.14 0.99 1.43 -1.26 -4.70 118.68 114.24 1r47 s LEU 36 Ca 0.00 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1r47 s LEU 36 Cb 0.00 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 1r47 s LEU 36 CO 0.00 0.16 0.90 0.00 0.23 0.00 0.00 176.35 177.64 1r47 n ALA 37 N 0.64 -2.30 1.28 4.21 0.00 -1.26 -3.99 120.51 119.10 1r47 n ALA 37 Ca -0.15 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.36 1r47 n ALA 37 Cb 0.54 -4.12 0.27 0.00 0.00 0.00 0.00 19.45 16.14 1r47 n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r47 n ARG 38 N -3.74 1.59 -3.63 0.00 5.12 -1.26 0.12 116.66 114.86 1r47 n ARG 38 Ca -0.17 -0.90 -0.16 0.00 -1.93 0.00 0.00 57.85 54.70 1r47 n ARG 38 Cb 0.64 -1.29 -0.07 0.00 -1.16 0.00 0.00 32.46 30.58 1r47 n ARG 38 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1r47 s THR 39 N -1.74 0.01 -0.13 0.55 -4.23 -1.26 -4.68 115.64 104.17 1r47 s THR 39 Ca 0.25 -0.12 -0.39 0.00 -1.18 0.00 0.00 61.69 60.25 1r47 s THR 39 Cb 0.13 -0.85 -0.16 0.00 1.34 0.00 0.00 72.50 72.96 1r47 s THR 39 CO 0.19 -0.07 1.55 -2.65 -0.54 0.00 0.00 174.62 173.10 1r47 n PRO 40 N 1.54 1.06 -1.74 3.99 -0.02 -1.26 -4.84 135.00 133.73 1r47 n PRO 40 Ca -0.18 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1r47 n PRO 40 Cb 0.56 -2.04 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1r47 n PRO 40 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1r47 n THR 41 N 3.59 2.09 -4.89 3.45 -1.04 -1.26 -4.72 114.28 111.50 1r47 n THR 41 Ca 0.23 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.43 1r47 n THR 41 Cb 0.14 -1.79 -0.17 0.00 -1.82 0.00 0.00 70.33 66.70 1r47 n THR 41 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1r47 s MET 42 N -2.05 2.76 0.00 -2.82 -1.94 -1.26 -1.15 119.30 112.85 1r47 s MET 42 Ca 0.55 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.76 1r47 s MET 42 Cb -0.51 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.16 1r47 s MET 42 CO 0.62 0.08 0.00 0.41 -0.01 0.00 0.00 175.02 176.12 1r47 n GLY 43 N 3.79 1.43 3.09 -0.03 0.00 0.92 -1.26 105.19 113.13 1r47 n GLY 43 Ca -0.20 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 1r47 n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r47 s TRP 44 N -2.15 1.00 -0.04 1.61 -0.00 0.31 -1.68 118.94 117.99 1r47 s TRP 44 Ca 0.00 -0.30 -0.01 0.00 -0.00 0.00 0.00 56.10 55.78 1r47 s TRP 44 Cb 0.00 -0.61 0.03 0.00 -0.00 0.00 0.00 33.47 32.89 1r47 s TRP 44 CO 0.00 0.00 0.04 -1.17 -0.00 0.00 0.00 176.95 175.82 1r47 s LEU 45 N -0.87 0.44 0.63 5.86 0.20 -0.03 -0.38 118.68 124.53 1r47 s LEU 45 Ca 0.01 0.03 0.38 0.00 0.69 0.00 0.00 54.13 55.24 1r47 s LEU 45 Cb -0.07 -0.20 2.14 0.00 -0.43 0.00 0.00 46.19 47.63 1r47 s LEU 45 CO 0.01 -0.21 2.31 1.12 -0.29 0.00 0.00 176.35 179.29 1r47 h HIS 46 N 8.17 0.00 0.00 5.38 2.07 -1.80 -3.38 115.15 125.59 1r47 h HIS 46 Ca -0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 1r47 h HIS 46 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 1r47 h HIS 46 CO 0.49 0.00 0.00 1.87 -3.07 0.00 0.00 177.93 177.22 1r47 n TRP 47 N -3.43 0.00 -0.32 6.12 -0.00 -1.26 -1.36 117.44 117.19 1r47 n TRP 47 Ca -0.03 0.00 0.18 0.00 -0.00 0.00 0.00 57.50 57.65 1r47 n TRP 47 Cb 0.08 0.00 0.38 0.00 -0.00 0.00 0.00 31.31 31.77 1r47 n TRP 47 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1r47 h GLU 48 N 0.00 0.22 0.00 5.87 4.22 -1.89 1.91 114.58 124.90 1r47 h GLU 48 Ca 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.38 1r47 h GLU 48 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1r47 h GLU 48 CO 0.00 0.14 -0.22 -0.09 -2.18 0.00 0.00 179.01 176.67 1r47 h ARG 49 N 0.22 0.00 0.00 1.92 9.65 -1.66 -3.37 114.38 121.14 1r47 h ARG 49 Ca 0.64 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.52 1r47 h ARG 49 Cb 1.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 1r47 h ARG 49 CO -0.66 0.22 0.00 1.19 2.80 0.00 0.00 179.97 183.51 1r47 n PHE 50 N -3.18 0.00 0.00 2.20 3.72 -0.46 -4.98 117.46 114.76 1r47 n PHE 50 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1r47 n PHE 50 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1r47 n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1r47 n MET 51 N -0.21 0.00 -3.06 -1.08 2.81 0.64 -2.93 117.12 113.28 1r47 n MET 51 Ca 0.00 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 1r47 n MET 51 Cb 0.07 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.57 1r47 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r47 s ASN 53 N -2.03 6.70 0.00 0.00 3.84 -1.15 -4.94 114.94 117.36 1r47 s ASN 53 Ca 0.35 0.85 0.00 0.00 0.21 0.00 0.00 52.86 54.27 1r47 s ASN 53 Cb 0.11 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 1r47 s ASN 53 CO 0.04 -0.16 0.00 0.18 -2.79 0.00 0.00 177.10 174.37 1r47 n LEU 54 N 4.44 0.00 -4.31 3.21 4.32 -1.26 -1.70 117.00 121.70 1r47 n LEU 54 Ca -0.04 -0.30 -0.35 0.00 -0.02 0.00 0.00 56.01 55.30 1r47 n LEU 54 Cb 0.51 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.26 1r47 n LEU 54 CO 0.44 0.00 1.78 -0.67 -1.22 0.00 0.00 177.39 177.72 1r47 n ASP 55 N -1.00 3.27 -0.02 -1.43 4.64 -1.26 -4.68 116.55 116.07 1r47 n ASP 55 Ca 0.00 -2.74 0.00 0.00 -1.38 0.00 0.00 54.79 50.67 1r47 n ASP 55 Cb 0.00 -1.59 0.00 0.00 -1.04 0.00 0.00 41.12 38.49 1r47 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1r47 n GLN 57 N -0.48 0.51 -0.08 0.00 1.13 -1.26 -4.32 117.38 112.87 1r47 n GLN 57 Ca 0.00 0.42 0.06 0.00 -1.94 0.00 0.00 57.00 55.55 1r47 n GLN 57 Cb 0.01 -1.61 0.10 0.00 0.11 0.00 0.00 30.24 28.85 1r47 n GLN 57 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1r47 n GLU 58 N -4.51 1.58 -2.95 -1.09 1.02 -1.21 -4.65 120.64 108.83 1r47 n GLU 58 Ca -0.18 -1.60 -0.14 0.00 -0.02 0.00 0.00 57.16 55.22 1r47 n GLU 58 Cb 0.47 -1.27 0.02 0.00 -0.02 0.00 0.00 31.44 30.64 1r47 n GLU 58 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1r47 n GLU 59 N 0.69 0.91 0.18 3.49 -0.58 0.73 -5.00 120.64 121.07 1r47 n GLU 59 Ca 0.10 -2.56 0.05 0.00 -0.42 0.00 0.00 57.16 54.33 1r47 n GLU 59 Cb 0.37 -1.35 0.33 0.00 -0.57 0.00 0.00 31.44 30.22 1r47 n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1r47 h PRO 60 N 3.34 0.00 -0.02 3.49 0.13 -1.75 -2.52 132.00 134.67 1r47 h PRO 60 Ca -0.02 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.92 1r47 h PRO 60 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1r47 h PRO 60 CO 0.33 0.40 -0.82 -0.44 -0.23 0.00 0.00 178.00 177.25 1r47 h ASP 61 N 0.00 0.30 1.08 1.44 3.32 -1.94 -3.12 116.42 117.50 1r47 h ASP 61 Ca -0.00 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1r47 h ASP 61 Cb 0.88 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1r47 h ASP 61 CO 0.05 0.99 -0.76 0.28 -1.72 0.00 0.00 179.24 178.08 1r47 h SER 62 N 0.14 0.00 -2.22 6.45 0.02 -1.94 -3.47 113.55 112.52 1r47 h SER 62 Ca -0.04 -0.06 -0.60 0.00 -0.84 0.00 0.00 61.79 60.25 1r47 h SER 62 Cb 1.42 0.00 0.06 0.00 0.14 0.00 0.00 62.40 64.02 1r47 h SER 62 CO 0.13 0.03 0.69 0.00 -1.14 0.00 0.00 176.83 176.54 1r47 s ILE 64 N 0.63 3.71 0.06 0.00 1.01 -0.69 -4.78 121.20 121.15 1r47 s ILE 64 Ca 0.78 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 1r47 s ILE 64 Cb -0.73 -4.80 -0.02 0.00 0.01 0.00 0.00 42.46 36.92 1r47 s ILE 64 CO 0.42 -1.73 0.08 -0.94 0.00 0.00 0.00 174.94 172.77 1r47 s SER 65 N 4.76 0.29 0.46 3.58 1.04 -1.26 -4.90 113.70 117.67 1r47 s SER 65 Ca 0.43 -0.79 0.17 0.00 0.48 0.00 0.00 55.95 56.25 1r47 s SER 65 Cb -0.06 0.26 1.14 0.00 0.10 0.00 0.00 66.02 67.45 1r47 s SER 65 CO 0.09 -0.64 1.97 1.05 0.98 0.00 0.00 173.24 176.69 1r47 h GLU 66 N 3.07 0.28 -0.43 4.02 4.11 -1.70 0.98 114.58 124.91 1r47 h GLU 66 Ca -0.34 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.12 1r47 h GLU 66 Cb 1.17 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1r47 h GLU 66 CO 0.60 0.19 0.19 0.87 0.07 0.00 0.00 179.01 180.92 1r47 h LYS 67 N 0.29 0.37 0.34 1.06 1.57 -1.96 -2.01 116.57 116.24 1r47 h LYS 67 Ca 0.29 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1r47 h LYS 67 Cb 0.72 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1r47 h LYS 67 CO -0.07 0.24 -0.25 1.25 -0.57 0.00 0.00 179.45 180.05 1r47 h LEU 68 N 0.38 -0.66 -1.28 2.94 5.85 -1.11 -2.41 115.31 119.02 1r47 h LEU 68 Ca 0.19 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1r47 h LEU 68 Cb 0.14 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1r47 h LEU 68 CO -0.17 -0.39 0.56 -0.26 -0.34 0.00 0.00 178.44 177.84 1r47 h PHE 69 N -0.59 0.84 -0.61 1.25 0.04 -1.37 0.04 116.94 116.54 1r47 h PHE 69 Ca -0.03 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1r47 h PHE 69 Cb 0.51 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1r47 h PHE 69 CO -0.13 0.36 0.38 0.52 -0.60 0.00 0.00 178.31 178.84 1r47 h MET 70 N 0.75 0.82 0.52 1.51 2.86 -1.08 0.44 114.93 120.76 1r47 h MET 70 Ca 0.41 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1r47 h MET 70 Cb 0.56 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1r47 h MET 70 CO -0.18 0.57 -0.25 1.49 1.06 0.00 0.00 176.91 179.60 1r47 h GLU 71 N 0.82 -0.68 -0.98 1.72 4.81 -0.56 -2.10 114.58 117.62 1r47 h GLU 71 Ca 0.22 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.61 1r47 h GLU 71 Cb -0.04 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 29.35 1r47 h GLU 71 CO -0.04 -0.45 -0.50 0.52 -0.73 0.00 0.00 179.01 177.80 1r47 h MET 72 N -0.72 -0.01 -0.70 1.92 2.86 -0.93 0.81 114.93 118.16 1r47 h MET 72 Ca -0.07 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1r47 h MET 72 Cb 0.54 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.10 1r47 h MET 72 CO 0.12 -0.01 -0.54 0.00 1.06 0.00 0.00 176.91 177.54 1r47 h ALA 73 N 0.86 -0.62 -0.93 6.32 0.00 -0.03 -0.39 119.26 124.47 1r47 h ALA 73 Ca 0.24 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.32 1r47 h ALA 73 Cb 0.49 1.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.40 1r47 h ALA 73 CO -0.95 -0.95 -0.51 1.49 0.00 0.00 0.00 179.25 178.33 1r47 h GLU 74 N -0.16 -0.04 0.25 0.00 4.22 -0.13 -2.49 114.58 116.23 1r47 h GLU 74 Ca 0.12 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.57 1r47 h GLU 74 Cb 0.46 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1r47 h GLU 74 CO -0.75 -0.03 -0.41 -0.07 -2.18 0.00 0.00 179.01 175.57 1r47 h LEU 75 N -0.04 -1.18 -1.08 1.64 4.07 -0.62 -1.79 115.31 116.32 1r47 h LEU 75 Ca 0.22 0.12 0.41 0.00 0.08 0.00 0.00 57.88 58.70 1r47 h LEU 75 Cb 0.49 0.42 -0.15 0.00 1.08 0.00 0.00 40.66 42.51 1r47 h LEU 75 CO -0.92 -0.52 0.64 0.23 -1.08 0.00 0.00 178.44 176.80 1r47 n MET 76 N -5.48 -0.04 -0.01 1.13 2.81 -0.71 0.24 117.12 115.05 1r47 n MET 76 Ca -0.09 1.20 -0.16 0.00 -1.81 0.00 0.00 57.70 56.84 1r47 n MET 76 Cb 0.39 -2.25 -0.11 0.00 -0.71 0.00 0.00 33.22 30.54 1r47 n MET 76 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1r47 h VAL 77 N 0.00 1.45 0.00 2.03 2.07 -1.40 0.75 116.25 121.16 1r47 h VAL 77 Ca 0.79 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1r47 h VAL 77 Cb 2.31 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 34.65 1r47 h VAL 77 CO -0.57 0.57 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 1r47 n SER 78 N -4.32 0.00 -1.08 0.57 7.64 0.65 -2.82 113.62 114.25 1r47 n SER 78 Ca -0.10 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1r47 n SER 78 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1r47 n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r47 n GLU 79 N -0.63 0.53 -3.85 1.43 -0.58 -0.89 -4.76 120.64 111.88 1r47 n GLU 79 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 1r47 n GLU 79 Cb 0.00 -1.23 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 1r47 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r47 n GLY 80 N 0.85 -0.40 0.12 0.62 0.00 -1.13 -4.90 105.19 100.35 1r47 n GLY 80 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1r47 n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r47 h TRP 81 N -1.97 0.47 -0.28 1.61 4.06 0.20 -3.15 115.95 116.89 1r47 h TRP 81 Ca -0.60 -0.29 0.06 0.00 2.06 0.00 0.00 58.89 60.13 1r47 h TRP 81 Cb 1.37 -0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 29.42 1r47 h TRP 81 CO 0.53 1.15 -0.17 -0.22 -3.56 0.00 0.00 178.44 176.17 1r47 h LYS 82 N -0.34 -0.14 -0.98 0.49 3.64 -1.14 -0.88 116.57 117.22 1r47 h LYS 82 Ca -0.08 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.51 1r47 h LYS 82 Cb 1.34 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 1r47 h LYS 82 CO 0.11 -0.09 0.62 -0.44 -2.27 0.00 0.00 179.45 177.38 1r47 h ASP 83 N -0.14 0.59 1.40 4.20 3.45 -1.83 0.06 116.42 124.14 1r47 h ASP 83 Ca 0.15 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.65 1r47 h ASP 83 Cb 0.37 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1r47 h ASP 83 CO -0.36 0.20 -0.14 0.00 -1.57 0.00 0.00 179.24 177.37 1r47 h ALA 84 N 1.63 0.95 0.00 3.45 0.00 -1.13 -3.47 119.26 120.68 1r47 h ALA 84 Ca 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1r47 h ALA 84 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1r47 h ALA 84 CO -0.29 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1r47 n GLY 85 N 0.61 4.06 3.67 0.00 0.00 0.01 -5.00 105.19 108.54 1r47 n GLY 85 Ca 0.02 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 1r47 n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r47 n TYR 86 N 0.00 2.47 -0.37 1.61 4.01 -1.19 -4.74 117.16 118.95 1r47 n TYR 86 Ca 0.00 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1r47 n TYR 86 Cb 0.00 -2.75 0.00 0.00 -0.31 0.00 0.00 39.34 36.28 1r47 n TYR 86 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1r47 n GLU 87 N 7.00 0.86 -4.12 -0.72 2.13 -0.39 -3.66 120.64 121.74 1r47 n GLU 87 Ca 0.21 -0.10 -0.34 0.00 0.66 0.00 0.00 57.16 57.58 1r47 n GLU 87 Cb 0.37 -0.45 -0.14 0.00 0.27 0.00 0.00 31.44 31.48 1r47 n GLU 87 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1r47 s TYR 88 N -0.15 2.92 -0.25 4.31 2.02 -0.60 -1.72 117.35 123.87 1r47 s TYR 88 Ca 0.00 -0.90 -0.05 0.00 -0.37 0.00 0.00 57.07 55.74 1r47 s TYR 88 Cb 0.00 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1r47 s TYR 88 CO 0.00 -0.48 0.02 -1.17 -1.57 0.00 0.00 175.55 172.36 1r47 s LEU 89 N 1.18 3.35 0.03 -1.29 2.96 -0.00 0.11 118.68 125.03 1r47 s LEU 89 Ca 0.02 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.52 1r47 s LEU 89 Cb -0.14 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1r47 s LEU 89 CO -0.02 -0.08 -0.20 0.00 -1.32 0.00 0.00 176.35 174.72 1r47 s ILE 91 N -0.76 5.22 0.16 0.00 1.01 0.25 -3.11 121.20 123.96 1r47 s ILE 91 Ca 0.07 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.34 1r47 s ILE 91 Cb -0.09 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.79 1r47 s ILE 91 CO 0.01 0.56 0.13 -0.67 0.00 0.00 0.00 174.94 174.98 1r47 n ASP 92 N 2.12 1.37 -4.11 3.58 -0.08 -1.26 -1.71 116.55 116.45 1r47 n ASP 92 Ca -0.15 -1.52 -0.35 0.00 -1.51 0.00 0.00 54.79 51.25 1r47 n ASP 92 Cb 0.53 -0.03 0.06 0.00 2.34 0.00 0.00 41.12 44.02 1r47 n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1r47 n ASP 93 N -2.08 -4.98 -0.27 1.67 -0.08 -1.26 -3.81 116.55 105.75 1r47 n ASP 93 Ca 0.00 0.24 -0.03 0.00 -1.51 0.00 0.00 54.79 53.49 1r47 n ASP 93 Cb 0.18 -0.87 -0.01 0.00 2.34 0.00 0.00 41.12 42.75 1r47 n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r47 n TRP 95 N -3.15 0.00 -3.50 0.00 4.27 -1.25 -4.97 117.44 108.85 1r47 n TRP 95 Ca -0.03 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.25 1r47 n TRP 95 Cb 0.20 -0.28 -0.05 0.00 -1.36 0.00 0.00 31.31 29.82 1r47 n TRP 95 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1r47 s MET 96 N -3.28 3.77 0.83 -2.67 0.23 -1.26 -3.00 119.30 113.92 1r47 s MET 96 Ca -0.01 0.19 -0.12 0.00 -1.03 0.00 0.00 55.69 54.73 1r47 s MET 96 Cb 0.15 -2.79 0.09 0.00 -1.53 0.00 0.00 34.83 30.75 1r47 s MET 96 CO 0.89 0.41 1.10 0.00 -2.03 0.00 0.00 175.02 175.39 1r47 s ALA 97 N -1.66 2.05 0.54 3.16 0.00 -0.06 -4.27 121.76 121.51 1r47 s ALA 97 Ca 0.42 -0.19 0.35 0.00 0.00 0.00 0.00 51.96 52.54 1r47 s ALA 97 Cb -0.12 -3.12 1.52 0.00 0.00 0.00 0.00 23.12 21.39 1r47 s ALA 97 CO 0.21 -1.92 1.82 -1.35 0.00 0.00 0.00 175.76 174.53 1r47 h PRO 98 N -1.23 0.02 -2.24 0.00 0.11 -1.93 -3.42 132.00 123.30 1r47 h PRO 98 Ca -0.48 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.82 1r47 h PRO 98 Cb 1.28 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1r47 h PRO 98 CO 0.58 0.01 0.52 1.14 -0.21 0.00 0.00 178.00 180.04 1r47 s GLN 99 N -4.98 1.08 0.93 1.05 0.00 -1.26 -4.35 119.66 112.13 1r47 s GLN 99 Ca -0.05 -0.58 -0.14 0.00 -0.00 0.00 0.00 55.36 54.60 1r47 s GLN 99 Cb 0.23 0.38 0.21 0.00 0.00 0.00 0.00 33.01 33.83 1r47 s GLN 99 CO 0.80 -0.49 0.48 0.54 0.00 0.00 0.00 175.29 176.61 1r47 n ARG 100 N -0.45 -2.39 -2.87 9.60 5.12 -1.26 -4.52 116.66 119.89 1r47 n ARG 100 Ca -0.07 -0.80 -0.14 0.00 -1.93 0.00 0.00 57.85 54.91 1r47 n ARG 100 Cb 0.61 -1.28 -0.01 0.00 -1.16 0.00 0.00 32.46 30.62 1r47 n ARG 100 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1r47 n ASP 101 N -2.94 2.13 -0.00 0.55 5.68 -1.01 -4.90 116.55 116.04 1r47 n ASP 101 Ca 0.08 -2.01 -0.13 0.00 -0.50 0.00 0.00 54.79 52.23 1r47 n ASP 101 Cb 0.33 0.04 -0.09 0.00 -1.14 0.00 0.00 41.12 40.26 1r47 n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1r47 h SER 102 N 0.42 -1.51 -0.61 -1.12 4.64 -1.97 -0.70 113.55 112.70 1r47 h SER 102 Ca -0.19 0.18 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1r47 h SER 102 Cb 0.64 0.59 -0.12 0.00 -0.31 0.00 0.00 62.40 63.20 1r47 h SER 102 CO 0.30 -0.43 -0.28 -0.08 -0.87 0.00 0.00 176.83 175.48 1r47 h GLU 103 N -0.52 -0.11 0.00 4.77 4.57 -2.05 -3.45 114.58 117.80 1r47 h GLU 103 Ca 0.03 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1r47 h GLU 103 Cb 0.60 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1r47 h GLU 103 CO -0.38 -0.07 0.00 0.41 -1.18 0.00 0.00 179.01 177.79 1r47 n GLY 104 N -1.44 0.81 1.55 1.92 0.00 -0.27 -5.14 105.19 102.62 1r47 n GLY 104 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1r47 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r47 n ARG 105 N 0.00 -1.73 -3.72 1.61 1.74 -1.26 -4.49 116.66 108.81 1r47 n ARG 105 Ca 0.00 -0.78 -0.32 0.00 -0.77 0.00 0.00 57.85 55.98 1r47 n ARG 105 Cb 0.00 -0.70 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 1r47 n ARG 105 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r47 s LEU 106 N 0.00 4.30 -0.04 0.55 1.43 -1.26 -2.40 118.68 121.26 1r47 s LEU 106 Ca 0.31 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1r47 s LEU 106 Cb -0.03 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 43.06 1r47 s LEU 106 CO 0.24 0.10 0.01 0.00 0.23 0.00 0.00 176.35 176.93 1r47 s GLN 107 N -2.49 0.30 0.76 1.70 -2.07 -1.26 -4.92 119.66 111.68 1r47 s GLN 107 Ca 0.38 0.12 -0.15 0.00 -1.82 0.00 0.00 55.36 53.90 1r47 s GLN 107 Cb -0.12 -0.57 0.04 0.00 -1.09 0.00 0.00 33.01 31.27 1r47 s GLN 107 CO 0.24 -0.19 1.10 0.00 -1.32 0.00 0.00 175.29 175.12 1r47 n ALA 108 N 4.47 -0.06 -1.66 2.60 0.00 -1.26 -0.88 120.51 123.72 1r47 n ALA 108 Ca -0.20 -0.25 -0.52 0.00 0.00 0.00 0.00 53.44 52.46 1r47 n ALA 108 Cb 0.50 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 1r47 n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r47 n ASP 109 N -2.46 2.40 -0.23 0.00 2.03 -1.16 -4.11 116.55 113.02 1r47 n ASP 109 Ca 0.13 1.07 0.02 0.00 0.52 0.00 0.00 54.79 56.54 1r47 n ASP 109 Cb 0.50 -1.24 0.14 0.00 -0.72 0.00 0.00 41.12 39.80 1r47 n ASP 109 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1r47 h PRO 110 N 6.42 0.46 -0.00 -0.67 0.11 -1.87 -0.17 132.00 136.27 1r47 h PRO 110 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1r47 h PRO 110 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r47 h PRO 110 CO 0.88 0.30 -0.04 1.96 -0.21 0.00 0.00 178.00 180.90 1r47 h GLN 111 N 0.47 0.03 0.00 1.05 7.50 -1.96 -2.74 115.11 119.46 1r47 h GLN 111 Ca 0.35 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.47 1r47 h GLN 111 Cb 0.44 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.97 1r47 h GLN 111 CO -0.32 0.77 -0.05 0.54 -1.50 0.00 0.00 178.83 178.27 1r47 n ARG 112 N -4.70 0.21 -3.17 1.46 1.74 -1.22 -4.06 116.66 106.93 1r47 n ARG 112 Ca -0.09 0.16 -0.20 0.00 -0.77 0.00 0.00 57.85 56.95 1r47 n ARG 112 Cb 0.38 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1r47 n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1r47 n PHE 113 N -2.09 0.62 -0.31 -1.55 3.72 -0.08 -1.70 117.46 116.07 1r47 n PHE 113 Ca 0.06 -3.81 0.16 0.00 -0.05 0.00 0.00 57.45 53.81 1r47 n PHE 113 Cb 0.41 -0.42 0.41 0.00 -0.94 0.00 0.00 39.48 38.95 1r47 n PHE 113 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1r47 h PRO 114 N 3.19 0.57 -1.71 -1.08 0.11 -1.63 -2.51 132.00 128.95 1r47 h PRO 114 Ca 0.10 -0.03 -0.52 0.00 0.11 0.00 0.00 66.00 65.66 1r47 h PRO 114 Cb 0.89 -0.13 -0.20 0.00 0.11 0.00 0.00 31.00 31.68 1r47 h PRO 114 CO 0.54 0.38 0.58 0.72 -0.21 0.00 0.00 178.00 180.01 1r47 n HIS 115 N -4.65 2.06 -0.16 0.65 8.25 -1.26 -5.01 115.22 115.09 1r47 n HIS 115 Ca 0.22 -2.18 0.00 0.00 -0.26 0.00 0.00 57.72 55.50 1r47 n HIS 115 Cb 0.65 -1.24 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1r47 n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r47 n GLY 116 N 0.22 1.22 0.29 -1.41 0.00 -0.95 -4.28 105.19 100.29 1r47 n GLY 116 Ca 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1r47 n GLY 116 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r47 n ILE 117 N 0.00 0.00 0.00 -0.61 2.08 -1.26 -4.76 119.36 114.81 1r47 n ILE 117 Ca 0.00 0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.41 1r47 n ILE 117 Cb 0.00 -0.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.95 1r47 n ILE 117 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1r47 n ARG 118 N -1.83 0.00 -0.23 0.38 3.00 -1.25 0.19 116.66 116.92 1r47 n ARG 118 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1r47 n ARG 118 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.60 1r47 n ARG 118 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1r47 h GLN 119 N 0.00 0.38 -0.93 -0.14 4.20 -1.87 0.53 115.11 117.29 1r47 h GLN 119 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1r47 h GLN 119 Cb 0.00 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1r47 h GLN 119 CO 0.00 0.25 0.53 1.25 -0.67 0.00 0.00 178.83 180.20 1r47 h LEU 120 N 0.40 1.14 -1.71 1.46 5.85 0.19 -0.86 115.31 121.77 1r47 h LEU 120 Ca 0.36 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1r47 h LEU 120 Cb 0.51 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1r47 h LEU 120 CO -0.37 0.89 -0.09 0.00 -0.34 0.00 0.00 178.44 178.53 1r47 h ALA 121 N 1.30 1.77 -0.35 1.25 0.00 -0.81 0.21 119.26 122.62 1r47 h ALA 121 Ca 0.33 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1r47 h ALA 121 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r47 h ALA 121 CO -0.06 0.18 -0.41 -0.91 0.00 0.00 0.00 179.25 178.05 1r47 h ASN 122 N 0.06 0.94 -0.05 0.00 2.35 0.08 0.92 115.58 119.88 1r47 h ASN 122 Ca 0.01 -0.44 -0.15 0.00 -0.55 0.00 0.00 56.30 55.17 1r47 h ASN 122 Cb 0.21 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1r47 h ASN 122 CO 0.01 1.22 -0.47 0.22 -1.65 0.00 0.00 177.43 176.77 1r47 h TYR 123 N 0.71 0.74 0.06 1.19 3.20 -0.52 0.78 116.97 123.13 1r47 h TYR 123 Ca 0.05 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 1r47 h TYR 123 Cb 1.00 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1r47 h TYR 123 CO 0.06 0.96 -0.03 0.28 -1.64 0.00 0.00 178.16 177.79 1r47 h VAL 124 N 0.48 1.16 -0.52 1.81 2.07 -0.37 -2.16 116.25 118.72 1r47 h VAL 124 Ca 0.03 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1r47 h VAL 124 Cb 1.00 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1r47 h VAL 124 CO 0.09 0.19 0.24 0.45 0.02 0.00 0.00 177.57 178.56 1r47 h HIS 125 N -0.43 0.72 0.14 1.57 3.86 0.98 -1.43 115.15 120.57 1r47 h HIS 125 Ca -0.01 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1r47 h HIS 125 Cb 0.38 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1r47 h HIS 125 CO 0.04 0.54 -0.16 1.03 0.86 0.00 0.00 177.93 180.24 1r47 h SER 126 N 0.73 -0.44 0.07 2.45 0.87 0.76 0.48 113.55 118.47 1r47 h SER 126 Ca 0.18 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1r47 h SER 126 Cb 0.09 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1r47 h SER 126 CO -0.02 -0.24 0.00 0.29 -0.53 0.00 0.00 176.83 176.32 1r47 n LYS 127 N -5.29 0.07 -0.52 2.24 4.76 -0.83 -4.77 118.16 113.82 1r47 n LYS 127 Ca -0.07 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1r47 n LYS 127 Cb 0.21 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 1r47 n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r47 n GLY 128 N -0.92 0.75 4.01 0.72 0.00 0.16 -4.97 105.19 104.93 1r47 n GLY 128 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1r47 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r47 s LEU 129 N 0.00 3.32 -0.04 0.99 1.43 -0.57 -4.97 118.68 118.84 1r47 s LEU 129 Ca 0.00 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1r47 s LEU 129 Cb 0.00 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 1r47 s LEU 129 CO 0.00 -1.17 -0.24 -0.54 0.23 0.00 0.00 176.35 174.62 1r47 s LYS 130 N -4.65 2.34 0.10 1.70 1.02 -0.70 -3.59 119.74 115.96 1r47 s LYS 130 Ca 0.59 -0.90 -0.03 0.00 0.02 0.00 0.00 55.97 55.65 1r47 s LYS 130 Cb -0.08 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.05 1r47 s LYS 130 CO 0.38 0.49 0.31 -1.17 -0.92 0.00 0.00 175.35 174.43 1r47 s LEU 131 N -0.43 4.31 -0.00 3.17 2.96 -1.26 -0.82 118.68 126.61 1r47 s LEU 131 Ca 0.04 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1r47 s LEU 131 Cb -0.12 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 1r47 s LEU 131 CO 0.01 0.12 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.25 1r47 s GLY 132 N -2.37 0.38 0.21 7.98 0.00 -0.28 -0.74 107.32 112.50 1r47 s GLY 132 Ca 0.37 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.83 1r47 s GLY 132 CO 0.25 -0.32 -0.19 -1.50 0.00 0.00 0.00 173.10 171.34 1r47 s ILE 133 N -0.28 2.10 0.01 0.90 1.10 0.45 0.85 121.20 126.33 1r47 s ILE 133 Ca 0.02 -2.12 -0.03 0.00 -0.51 0.00 0.00 60.65 58.01 1r47 s ILE 133 Cb -0.03 -2.06 -0.04 0.00 0.15 0.00 0.00 42.46 40.47 1r47 s ILE 133 CO -0.00 -0.34 0.20 -0.47 -2.11 0.00 0.00 174.94 172.22 1r47 s TYR 134 N -2.25 3.54 0.24 3.50 5.04 -0.69 -0.77 117.35 125.96 1r47 s TYR 134 Ca 0.22 0.36 -0.13 0.00 -2.44 0.00 0.00 57.07 55.08 1r47 s TYR 134 Cb -0.05 -1.83 -0.00 0.00 0.35 0.00 0.00 41.96 40.42 1r47 s TYR 134 CO 0.10 0.63 0.47 0.00 -1.34 0.00 0.00 175.55 175.40 1r47 s ALA 135 N -1.37 -0.32 -0.03 3.97 0.00 -0.41 -4.88 121.76 118.72 1r47 s ALA 135 Ca 0.29 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1r47 s ALA 135 Cb -0.13 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1r47 s ALA 135 CO 0.21 -0.84 -0.03 0.34 0.00 0.00 0.00 175.76 175.44 1r47 s ASP 136 N -3.00 0.65 0.29 0.00 -1.08 -1.26 -0.59 116.67 111.69 1r47 s ASP 136 Ca 0.20 -0.08 -0.01 0.00 -0.52 0.00 0.00 52.55 52.14 1r47 s ASP 136 Cb -0.00 -0.26 0.43 0.00 -1.46 0.00 0.00 42.92 41.63 1r47 s ASP 136 CO 0.07 -0.03 1.88 1.62 0.52 0.00 0.00 175.17 179.23 1r47 h VAL 137 N 5.84 1.21 -0.66 1.11 3.04 -1.50 -2.77 116.25 122.52 1r47 h VAL 137 Ca -0.37 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 1r47 h VAL 137 Cb 1.16 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1r47 h VAL 137 CO 0.49 0.26 0.00 0.61 -1.01 0.00 0.00 177.57 177.92 1r47 n GLY 138 N -1.08 -0.57 0.22 3.17 0.00 -1.24 -3.17 105.19 102.52 1r47 n GLY 138 Ca 0.06 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.67 1r47 n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1r47 h ASN 139 N 0.00 0.00 -5.10 1.61 2.35 -1.60 -1.48 115.58 111.36 1r47 h ASN 139 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1r47 h ASN 139 Cb 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.21 1r47 h ASN 139 CO 0.00 0.00 -0.34 -0.54 -1.65 0.00 0.00 177.43 174.90 1r47 s LYS 140 N -3.36 0.79 0.72 0.81 1.02 -1.26 -1.46 119.74 117.00 1r47 s LYS 140 Ca 0.05 -0.74 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 1r47 s LYS 140 Cb 0.08 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.74 1r47 s LYS 140 CO 0.60 -0.25 1.11 0.95 -0.92 0.00 0.00 175.35 176.84 1r47 s THR 141 N -3.12 3.29 -0.98 2.17 -4.23 -0.33 -4.30 115.64 108.14 1r47 s THR 141 Ca -0.01 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1r47 s THR 141 Cb 0.01 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.45 1r47 s THR 141 CO -0.07 -0.55 1.03 0.00 -0.54 0.00 0.00 174.62 174.49 1r47 h ALA 143 N 2.01 0.59 0.00 0.00 0.00 -1.98 -3.47 119.26 116.40 1r47 h ALA 143 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1r47 h ALA 143 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1r47 h ALA 143 CO 0.00 1.01 0.00 0.41 0.00 0.00 0.00 179.25 180.67 1r47 n GLY 144 N 1.35 1.90 3.73 0.00 0.00 0.02 -5.07 105.19 107.11 1r47 n GLY 144 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1r47 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r47 s PHE 145 N -2.12 2.34 0.10 1.61 0.08 -1.26 -4.65 117.98 114.07 1r47 s PHE 145 Ca 0.00 1.02 -0.14 0.00 0.12 0.00 0.00 56.93 57.93 1r47 s PHE 145 Cb 0.00 -3.26 -0.08 0.00 -0.57 0.00 0.00 43.02 39.11 1r47 s PHE 145 CO 0.00 -2.53 0.25 -2.30 -0.10 0.00 0.00 175.22 170.54 1r47 n PRO 146 N -3.92 0.00 0.00 0.24 -0.02 -1.26 -1.18 135.00 128.85 1r47 n PRO 146 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1r47 n PRO 146 Cb 0.57 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 1r47 n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r47 n GLY 147 N 0.97 0.81 0.00 -1.23 0.00 -0.54 -3.49 105.19 101.71 1r47 n GLY 147 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1r47 n GLY 147 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r47 n SER 148 N 0.00 0.00 -4.68 1.61 7.64 -0.59 -4.25 113.62 113.36 1r47 n SER 148 Ca 0.00 0.00 -0.49 0.00 1.01 0.00 0.00 58.87 59.39 1r47 n SER 148 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1r47 n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1r47 n PHE 149 N 0.00 2.25 -3.39 1.43 7.35 -1.03 -1.20 117.46 122.87 1r47 n PHE 149 Ca 0.00 0.14 -0.18 0.00 -0.76 0.00 0.00 57.45 56.65 1r47 n PHE 149 Cb 0.00 -2.60 0.08 0.00 0.35 0.00 0.00 39.48 37.31 1r47 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1r47 n GLY 150 N 4.07 -0.35 0.00 7.13 0.00 -1.26 -4.81 105.19 109.97 1r47 n GLY 150 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1r47 n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r47 n TYR 151 N -4.18 0.00 0.00 1.61 4.01 -0.34 -5.00 117.16 113.26 1r47 n TYR 151 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1r47 n TYR 151 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1r47 n TYR 151 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1r47 n TYR 152 N 0.00 0.00 -0.15 -0.72 4.01 -1.04 -0.02 117.16 119.24 1r47 n TYR 152 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1r47 n TYR 152 Cb 0.00 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 1r47 n TYR 152 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1r47 h ASP 153 N 0.00 -1.75 -0.12 7.72 3.32 -1.94 0.26 116.42 123.92 1r47 h ASP 153 Ca 0.00 0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1r47 h ASP 153 Cb 0.00 0.73 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1r47 h ASP 153 CO 0.00 -0.39 -0.26 0.40 -1.72 0.00 0.00 179.24 177.28 1r47 h ILE 154 N -0.35 0.00 -0.68 0.35 2.04 -0.84 -1.46 117.51 116.57 1r47 h ILE 154 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.08 1r47 h ILE 154 Cb 0.59 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.54 1r47 h ILE 154 CO -0.61 0.00 -0.35 0.44 0.00 0.00 0.00 178.15 177.62 1r47 h ASP 155 N -0.23 -1.25 -0.16 1.72 3.45 -0.34 0.12 116.42 119.74 1r47 h ASP 155 Ca 0.02 0.25 0.02 0.00 0.43 0.00 0.00 57.03 57.75 1r47 h ASP 155 Cb 0.30 0.62 -0.03 0.00 -0.56 0.00 0.00 39.33 39.66 1r47 h ASP 155 CO -0.24 -0.30 -0.20 0.00 -1.57 0.00 0.00 179.24 176.93 1r47 h ALA 156 N 1.05 -0.46 -0.81 3.45 0.00 0.16 0.23 119.26 122.87 1r47 h ALA 156 Ca 0.25 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.36 1r47 h ALA 156 Cb 0.56 0.87 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 1r47 h ALA 156 CO -0.75 -0.56 0.19 0.37 0.00 0.00 0.00 179.25 178.51 1r47 h GLN 157 N -0.14 0.22 0.00 0.00 5.75 -0.46 0.25 115.11 120.73 1r47 h GLN 157 Ca 0.03 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1r47 h GLN 157 Cb 0.21 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1r47 h GLN 157 CO -0.22 0.15 0.00 2.41 -2.65 0.00 0.00 178.83 178.52 1r47 n THR 158 N -5.21 0.00 -0.20 2.39 -1.04 0.56 0.58 114.28 111.37 1r47 n THR 158 Ca 0.18 1.36 -0.03 0.00 -2.04 0.00 0.00 64.05 63.52 1r47 n THR 158 Cb 0.57 -2.04 0.04 0.00 -1.82 0.00 0.00 70.33 67.08 1r47 n THR 158 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1r47 h PHE 159 N 0.00 -0.54 -0.90 -1.42 0.04 0.06 0.34 116.94 114.53 1r47 h PHE 159 Ca 0.00 0.06 0.22 0.00 2.80 0.00 0.00 57.97 61.05 1r47 h PHE 159 Cb 0.00 0.33 -0.13 0.00 2.20 0.00 0.00 35.95 38.35 1r47 h PHE 159 CO -0.38 -0.31 0.39 0.00 -0.60 0.00 0.00 178.31 177.40 1r47 h ALA 160 N 1.37 1.44 0.15 2.45 0.00 -0.00 0.46 119.26 125.13 1r47 h ALA 160 Ca 0.27 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1r47 h ALA 160 Cb 0.49 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1r47 h ALA 160 CO -0.64 -0.36 -0.07 -0.44 0.00 0.00 0.00 179.25 177.74 1r47 h ASP 161 N 0.39 -0.17 -0.16 0.00 5.19 0.38 -3.12 116.42 118.93 1r47 h ASP 161 Ca 0.56 -0.32 0.05 0.00 -0.62 0.00 0.00 57.03 56.70 1r47 h ASP 161 Cb 1.08 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1r47 h ASP 161 CO -0.54 0.26 0.57 -0.50 -3.12 0.00 0.00 179.24 175.90 1r47 h TRP 162 N -0.63 0.00 -0.20 4.55 6.55 0.14 -3.44 115.95 122.92 1r47 h TRP 162 Ca -0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1r47 h TRP 162 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 1r47 h TRP 162 CO 0.06 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.86 1r47 n GLY 163 N -1.37 1.18 3.83 1.49 0.00 -0.41 -3.87 105.19 106.04 1r47 n GLY 163 Ca 0.02 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1r47 n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r47 s VAL 164 N -2.20 4.27 -0.00 1.61 1.01 -0.99 -4.78 120.40 119.32 1r47 s VAL 164 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1r47 s VAL 164 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1r47 s VAL 164 CO 0.00 -0.62 0.01 0.47 0.00 0.00 0.00 175.10 174.96 1r47 n ASP 165 N -1.73 4.92 -3.73 3.32 8.00 0.08 -4.81 116.55 122.60 1r47 n ASP 165 Ca 0.07 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1r47 n ASP 165 Cb 0.54 0.99 -0.10 0.00 -0.02 0.00 0.00 41.12 42.53 1r47 n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1r47 s LEU 166 N -3.06 0.43 -0.13 0.64 0.20 -0.63 -0.84 118.68 115.29 1r47 s LEU 166 Ca -0.00 0.79 0.02 0.00 0.69 0.00 0.00 54.13 55.63 1r47 s LEU 166 Cb 0.00 1.42 0.01 0.00 -0.43 0.00 0.00 46.19 47.20 1r47 s LEU 166 CO 0.01 -0.17 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.50 1r47 s LEU 167 N 0.12 1.92 -0.53 -0.68 2.96 -0.38 -0.41 118.68 121.67 1r47 s LEU 167 Ca -0.01 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.21 1r47 s LEU 167 Cb -0.03 -1.27 0.09 0.00 0.50 0.00 0.00 46.19 45.48 1r47 s LEU 167 CO 0.01 0.04 0.56 -0.75 -1.32 0.00 0.00 176.35 174.90 1r47 s LYS 168 N 0.92 3.03 -0.67 1.98 2.20 0.05 -1.23 119.74 126.02 1r47 s LYS 168 Ca -0.06 -1.31 -0.20 0.00 -0.36 0.00 0.00 55.97 54.03 1r47 s LYS 168 Cb -0.15 -4.20 0.10 0.00 -1.51 0.00 0.00 37.83 32.07 1r47 s LYS 168 CO -0.02 -1.29 0.86 0.12 -0.36 0.00 0.00 175.35 174.65 1r47 s PHE 169 N 2.17 2.92 0.64 4.03 5.36 -0.62 -1.29 117.98 131.19 1r47 s PHE 169 Ca 0.09 -0.91 -0.11 0.00 -0.96 0.00 0.00 56.93 55.04 1r47 s PHE 169 Cb -0.24 -4.14 -0.03 0.00 -0.34 0.00 0.00 43.02 38.27 1r47 s PHE 169 CO 0.07 -1.44 1.05 0.34 -1.46 0.00 0.00 175.22 173.78 1r47 s ASP 170 N 3.60 6.02 -0.49 6.13 -1.08 0.25 -3.34 116.67 127.75 1r47 s ASP 170 Ca 0.18 1.36 0.08 0.00 -0.52 0.00 0.00 52.55 53.66 1r47 s ASP 170 Cb -0.19 -2.35 0.30 0.00 -1.46 0.00 0.00 42.92 39.22 1r47 s ASP 170 CO 0.05 -1.00 0.73 0.61 0.52 0.00 0.00 175.17 176.08 1r47 n GLY 171 N -2.77 4.18 3.81 2.66 0.00 -1.26 -1.32 105.19 110.48 1r47 n GLY 171 Ca 0.06 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1r47 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r47 n TYR 173 N 2.13 -1.38 -3.64 0.00 4.01 -1.26 -3.82 117.16 113.19 1r47 n TYR 173 Ca -0.19 0.71 -0.05 0.00 -0.16 0.00 0.00 57.90 58.21 1r47 n TYR 173 Cb 0.54 -2.31 -0.07 0.00 -0.31 0.00 0.00 39.34 37.20 1r47 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r47 n ASP 175 N 2.03 0.00 -4.63 0.00 8.00 -1.26 -4.89 116.55 115.80 1r47 n ASP 175 Ca -0.12 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.12 1r47 n ASP 175 Cb 0.56 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.57 1r47 n ASP 175 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1r47 s SER 176 N -2.71 4.05 0.58 -2.24 1.04 -1.26 -4.99 113.70 108.18 1r47 s SER 176 Ca 0.00 -1.15 0.30 0.00 0.48 0.00 0.00 55.95 55.58 1r47 s SER 176 Cb 0.00 -0.45 1.39 0.00 0.10 0.00 0.00 66.02 67.06 1r47 s SER 176 CO 0.00 -0.34 1.76 -0.07 0.98 0.00 0.00 173.24 175.57 1r47 h LEU 177 N 1.77 0.00 -0.01 2.42 4.07 -1.96 0.26 115.31 121.86 1r47 h LEU 177 Ca -0.43 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.54 1r47 h LEU 177 Cb 1.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1r47 h LEU 177 CO 0.72 0.00 -0.14 -0.33 -1.08 0.00 0.00 178.44 177.61 1r47 h GLU 178 N 0.00 -0.16 -0.96 1.13 4.39 -1.98 1.29 114.58 118.29 1r47 h GLU 178 Ca 0.36 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.23 1r47 h GLU 178 Cb 1.79 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 30.40 1r47 h GLU 178 CO -0.00 -0.10 0.61 -0.91 -1.16 0.00 0.00 179.01 177.44 1r47 h ASN 179 N -0.16 0.74 0.00 1.42 2.35 -0.91 -1.97 115.58 117.05 1r47 h ASN 179 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1r47 h ASN 179 Cb 0.18 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1r47 h ASN 179 CO -0.10 0.34 0.00 -0.11 -1.65 0.00 0.00 177.43 175.91 1r47 n LEU 180 N -4.63 0.84 -0.31 1.61 7.94 -0.21 -1.45 117.00 120.79 1r47 n LEU 180 Ca 0.20 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 1r47 n LEU 180 Cb 0.50 -0.03 0.05 0.00 0.53 0.00 0.00 43.42 44.46 1r47 n LEU 180 CO 0.27 -0.03 0.48 0.00 -1.11 0.00 0.00 177.39 177.00 1r47 n ALA 181 N -0.59 -0.04 -0.05 1.96 0.00 0.43 0.56 120.51 122.78 1r47 n ALA 181 Ca 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 53.44 54.18 1r47 n ALA 181 Cb 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 1r47 n ALA 181 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1r47 h ASP 182 N 0.00 -0.01 -0.17 0.00 3.32 -1.47 -0.58 116.42 117.51 1r47 h ASP 182 Ca 0.30 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.44 1r47 h ASP 182 Cb 0.50 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 1r47 h ASP 182 CO -0.81 0.03 -0.20 1.23 -1.72 0.00 0.00 179.24 177.77 1r47 h GLY 183 N 0.12 -0.14 0.68 2.75 0.00 0.13 1.71 103.07 108.33 1r47 h GLY 183 Ca 0.11 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1r47 h GLY 183 CO -0.15 -0.18 -0.48 -0.97 0.00 0.00 0.00 176.54 174.76 1r47 h TYR 184 N -0.24 -1.31 -0.28 5.60 0.05 -1.03 -0.05 116.97 119.72 1r47 h TYR 184 Ca 0.11 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.96 1r47 h TYR 184 Cb 0.41 0.49 -0.08 0.00 1.01 0.00 0.00 36.73 38.55 1r47 h TYR 184 CO -0.33 -0.69 -0.33 0.87 -1.05 0.00 0.00 178.16 176.63 1r47 h LYS 185 N -1.08 -0.31 -0.00 4.88 1.57 -0.69 -0.95 116.57 119.99 1r47 h LYS 185 Ca -0.08 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1r47 h LYS 185 Cb 0.90 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1r47 h LYS 185 CO 0.02 -0.21 -0.13 1.25 -0.57 0.00 0.00 179.45 179.82 1r47 h HIS 186 N -0.32 -0.37 -0.86 -1.35 2.76 0.28 -2.16 115.15 113.12 1r47 h HIS 186 Ca 0.13 0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.49 1r47 h HIS 186 Cb 0.54 0.16 -0.16 0.00 1.55 0.00 0.00 27.41 29.50 1r47 h HIS 186 CO -0.48 -0.13 -0.19 1.98 -1.30 0.00 0.00 177.93 177.80 1r47 h MET 187 N -0.16 0.01 -0.84 5.26 1.85 -0.84 0.20 114.93 120.42 1r47 h MET 187 Ca 0.00 -0.00 0.18 0.00 -0.61 0.00 0.00 59.70 59.27 1r47 h MET 187 Cb 0.17 -0.00 -0.16 0.00 0.43 0.00 0.00 31.60 32.04 1r47 h MET 187 CO -0.09 0.00 -0.14 1.03 -0.40 0.00 0.00 176.91 177.32 1r47 h SER 188 N 0.01 -0.65 -0.31 1.39 0.87 -0.55 0.29 113.55 114.60 1r47 h SER 188 Ca 0.42 0.24 -0.17 0.00 -1.23 0.00 0.00 61.79 61.05 1r47 h SER 188 Cb 0.66 0.48 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1r47 h SER 188 CO -0.87 -0.27 -0.46 -0.07 -0.53 0.00 0.00 176.83 174.63 1r47 h LEU 189 N 0.02 0.96 -0.64 2.23 3.38 -0.20 -3.04 115.31 118.03 1r47 h LEU 189 Ca 0.43 -0.48 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1r47 h LEU 189 Cb 0.71 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 1r47 h LEU 189 CO -0.83 1.27 0.16 0.00 0.09 0.00 0.00 178.44 179.13 1r47 h ALA 190 N 0.76 0.79 0.65 1.53 0.00 0.69 -1.10 119.26 122.59 1r47 h ALA 190 Ca 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1r47 h ALA 190 Cb 1.06 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1r47 h ALA 190 CO 0.11 -0.29 -0.31 -0.07 0.00 0.00 0.00 179.25 178.68 1r47 h LEU 191 N 0.29 -0.74 -1.49 0.00 3.38 -1.14 -1.96 115.31 113.66 1r47 h LEU 191 Ca 0.34 0.03 0.45 0.00 0.09 0.00 0.00 57.88 58.78 1r47 h LEU 191 Cb 0.51 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 1r47 h LEU 191 CO -0.41 -0.47 0.91 -1.13 0.09 0.00 0.00 178.44 177.43 1r47 h ASN 192 N -0.99 0.21 -0.23 -0.43 -0.73 -1.38 1.29 115.58 113.31 1r47 h ASN 192 Ca -0.09 0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.15 1r47 h ASN 192 Cb 0.67 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 1r47 h ASN 192 CO 0.15 -0.15 -0.04 -0.09 -0.37 0.00 0.00 177.43 176.92 1r47 h ARG 193 N 0.08 0.43 -0.58 6.67 2.43 -0.95 -2.97 114.38 119.48 1r47 h ARG 193 Ca 0.82 -0.16 0.17 0.00 -0.81 0.00 0.00 59.98 60.00 1r47 h ARG 193 Cb 2.69 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 32.19 1r47 h ARG 193 CO -0.36 0.65 0.51 1.79 -1.51 0.00 0.00 179.97 181.05 1r47 h THR 194 N 0.17 0.46 0.00 0.20 1.35 0.24 -3.45 112.91 111.89 1r47 h THR 194 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1r47 h THR 194 Cb 0.49 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1r47 h THR 194 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1r47 n GLY 195 N -1.58 3.02 3.74 5.82 0.00 -1.12 -5.02 105.19 110.05 1r47 n GLY 195 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1r47 n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1r47 s ARG 196 N -0.22 4.39 -0.66 1.61 6.06 -1.26 -4.94 118.95 123.93 1r47 s ARG 196 Ca 0.00 2.09 -0.27 0.00 -2.50 0.00 0.00 55.73 55.05 1r47 s ARG 196 Cb 0.00 -3.17 0.02 0.00 0.06 0.00 0.00 34.95 31.87 1r47 s ARG 196 CO 0.00 -0.23 1.35 -1.12 -2.50 0.00 0.00 175.30 172.80 1r47 s SER 197 N 0.13 6.12 -0.25 -2.12 0.01 -1.26 -4.76 113.70 111.57 1r47 s SER 197 Ca 0.55 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1r47 s SER 197 Cb -0.37 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.35 1r47 s SER 197 CO 0.41 -1.80 -0.08 -0.63 0.41 0.00 0.00 173.24 171.55 1r47 s ILE 198 N 5.98 2.56 -0.00 1.44 1.01 -1.26 -4.73 121.20 126.20 1r47 s ILE 198 Ca 0.43 -1.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1r47 s ILE 198 Cb -0.09 -2.37 -0.08 0.00 0.01 0.00 0.00 42.46 39.93 1r47 s ILE 198 CO 0.20 0.11 1.87 -0.69 0.00 0.00 0.00 174.94 176.43 1r47 s VAL 199 N 1.23 3.20 -0.35 2.92 1.01 -0.02 -4.83 120.40 123.56 1r47 s VAL 199 Ca -0.03 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1r47 s VAL 199 Cb -0.18 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1r47 s VAL 199 CO -0.05 -0.03 0.23 -0.47 0.00 0.00 0.00 175.10 174.78 1r47 s TYR 200 N 4.44 3.22 -0.40 5.22 5.04 -1.26 -1.25 117.35 132.36 1r47 s TYR 200 Ca 0.84 -0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 54.90 1r47 s TYR 200 Cb -0.39 -2.47 0.08 0.00 0.35 0.00 0.00 41.96 39.53 1r47 s TYR 200 CO 0.38 -0.48 0.22 0.45 -1.34 0.00 0.00 175.55 174.78 1r47 s SER 201 N 1.66 5.49 0.61 4.32 0.15 -0.37 -0.67 113.70 124.89 1r47 s SER 201 Ca 0.05 -1.57 -0.07 0.00 0.70 0.00 0.00 55.95 55.06 1r47 s SER 201 Cb -0.18 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.21 1r47 s SER 201 CO 0.09 -0.51 0.94 0.00 1.20 0.00 0.00 173.24 174.96 1r47 n GLU 203 N -2.67 0.65 -0.26 0.00 2.13 -1.21 -1.24 120.64 118.04 1r47 n GLU 203 Ca 0.05 -0.66 -0.07 0.00 0.66 0.00 0.00 57.16 57.15 1r47 n GLU 203 Cb 0.57 -0.69 -0.06 0.00 0.27 0.00 0.00 31.44 31.54 1r47 n GLU 203 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1r47 n TRP 204 N -0.13 -0.27 -0.08 4.31 -0.00 -1.26 -2.31 117.44 117.70 1r47 n TRP 204 Ca 0.00 0.77 -0.11 0.00 -0.00 0.00 0.00 57.50 58.16 1r47 n TRP 204 Cb 0.33 -0.53 -0.06 0.00 -0.00 0.00 0.00 31.31 31.05 1r47 n TRP 204 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1r47 h PRO 205 N 0.00 -0.38 -0.75 5.87 0.11 -1.92 0.19 132.00 135.12 1r47 h PRO 205 Ca 0.10 0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.45 1r47 h PRO 205 Cb 0.25 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1r47 h PRO 205 CO -0.58 -0.26 1.01 1.25 -0.21 0.00 0.00 178.00 179.22 1r47 h LEU 206 N -0.40 0.00 -1.54 2.35 5.85 -1.21 1.21 115.31 121.57 1r47 h LEU 206 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1r47 h LEU 206 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1r47 h LEU 206 CO -0.50 0.00 -0.10 -1.22 -0.34 0.00 0.00 178.44 176.28 1r47 n TYR 207 N -3.22 0.00 0.11 1.25 4.01 0.63 -4.43 117.16 115.51 1r47 n TYR 207 Ca 0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.70 1r47 n TYR 207 Cb 1.25 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 40.14 1r47 n TYR 207 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1r47 h MET 208 N 3.33 0.47 -6.89 -0.72 2.86 0.20 -3.42 114.93 110.75 1r47 h MET 208 Ca 0.00 -0.71 -0.51 0.00 -2.06 0.00 0.00 59.70 56.43 1r47 h MET 208 Cb 0.75 0.25 0.04 0.00 0.06 0.00 0.00 31.60 32.70 1r47 h MET 208 CO 0.00 1.32 0.50 -1.58 1.06 0.00 0.00 176.91 178.21 1r47 s TRP 209 N -2.79 3.26 -1.14 -0.22 0.51 -1.22 -1.07 118.94 116.27 1r47 s TRP 209 Ca -0.07 1.60 -0.08 0.00 -2.12 0.00 0.00 56.10 55.43 1r47 s TRP 209 Cb 0.06 -3.37 0.26 0.00 -0.81 0.00 0.00 33.47 29.61 1r47 s TRP 209 CO 0.92 -1.05 1.45 -0.35 -0.51 0.00 0.00 176.95 177.41 1r47 n PRO 210 N 0.54 3.93 0.00 4.98 -0.04 -1.26 -4.95 135.00 138.20 1r47 n PRO 210 Ca 0.02 -4.26 0.00 0.00 -0.04 0.00 0.00 63.50 59.22 1r47 n PRO 210 Cb 0.46 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1r47 n PRO 210 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1r47 n PHE 211 N 2.70 0.00 0.00 0.54 3.72 -0.23 -5.14 117.46 119.05 1r47 n PHE 211 Ca 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1r47 n PHE 211 Cb 0.37 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1r47 n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r47 n GLN 212 N -1.88 0.00 -1.68 -1.08 10.64 -1.18 -5.12 117.38 117.08 1r47 n GLN 212 Ca 0.00 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.71 1r47 n GLN 212 Cb 0.02 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.36 1r47 n GLN 212 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1r47 n LYS 213 N -0.25 2.25 -1.73 2.61 4.01 -1.26 -4.34 118.16 119.44 1r47 n LYS 213 Ca 0.00 0.81 -0.42 0.00 -0.51 0.00 0.00 58.31 58.19 1r47 n LYS 213 Cb 0.00 -2.62 -0.02 0.00 -0.51 0.00 0.00 35.03 31.88 1r47 n LYS 213 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1r47 n PRO 214 N 4.52 2.52 -2.32 1.97 -0.04 -1.26 -4.93 135.00 135.46 1r47 n PRO 214 Ca 0.19 0.89 -0.36 0.00 -0.04 0.00 0.00 63.50 64.18 1r47 n PRO 214 Cb 0.30 -2.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.09 1r47 n PRO 214 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1r47 s ASN 215 N 0.34 5.85 0.39 3.54 3.84 -1.26 -4.72 114.94 122.91 1r47 s ASN 215 Ca 0.63 -0.84 0.15 0.00 0.21 0.00 0.00 52.86 53.01 1r47 s ASN 215 Cb -0.53 -2.56 0.79 0.00 -0.55 0.00 0.00 41.25 38.40 1r47 s ASN 215 CO 0.51 -2.08 1.84 1.88 -2.79 0.00 0.00 177.10 176.47 1r47 h TYR 216 N 10.94 0.00 -0.36 0.43 0.05 -1.94 -1.78 116.97 124.31 1r47 h TYR 216 Ca 0.05 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1r47 h TYR 216 Cb 1.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 1r47 h TYR 216 CO 1.21 0.34 -0.04 1.15 -1.05 0.00 0.00 178.16 179.78 1r47 h THR 217 N 0.00 1.22 0.00 -2.88 2.02 -1.97 0.42 112.91 111.73 1r47 h THR 217 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1r47 h THR 217 Cb 0.65 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1r47 h THR 217 CO 0.04 0.31 0.00 1.21 0.37 0.00 0.00 175.52 177.46 1r47 n GLU 218 N -4.24 0.00 -0.33 6.66 2.13 -0.85 -3.18 120.64 120.83 1r47 n GLU 218 Ca 0.01 0.49 0.07 0.00 0.66 0.00 0.00 57.16 58.39 1r47 n GLU 218 Cb 0.28 -1.38 0.15 0.00 0.27 0.00 0.00 31.44 30.76 1r47 n GLU 218 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1r47 n ILE 219 N -1.97 -0.39 0.33 6.31 5.41 -0.73 0.16 119.36 128.47 1r47 n ILE 219 Ca 0.00 2.11 0.19 0.00 1.00 0.00 0.00 62.75 66.05 1r47 n ILE 219 Cb 0.00 -2.94 0.99 0.00 -0.71 0.00 0.00 39.64 36.98 1r47 n ILE 219 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1r47 h ARG 220 N 0.00 0.00 -0.60 0.38 2.43 -0.96 0.75 114.38 116.38 1r47 h ARG 220 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1r47 h ARG 220 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1r47 h ARG 220 CO -0.94 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 178.56 1r47 n GLN 221 N -3.05 2.58 0.00 0.20 6.02 0.41 0.21 117.38 123.75 1r47 n GLN 221 Ca -0.02 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.38 1r47 n GLN 221 Cb 0.25 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1r47 n GLN 221 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1r47 n TYR 222 N 0.49 0.00 -3.96 1.08 4.01 0.25 -4.77 117.16 114.27 1r47 n TYR 222 Ca 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 1r47 n TYR 222 Cb 0.57 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.50 1r47 n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r47 h ASN 224 N 4.29 0.00 0.00 0.00 -0.26 -0.98 1.30 115.58 119.93 1r47 h ASN 224 Ca -0.32 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.42 1r47 h ASN 224 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1r47 h ASN 224 CO 0.44 0.10 0.00 0.00 -1.06 0.00 0.00 177.43 176.91 1r47 n HIS 225 N -2.94 0.00 -4.32 1.19 1.44 -1.23 -1.14 115.22 108.22 1r47 n HIS 225 Ca 0.01 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.53 1r47 n HIS 225 Cb 0.58 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.59 1r47 n HIS 225 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1r47 s TRP 226 N -1.29 1.67 0.29 -1.40 -2.14 -1.07 -0.84 118.94 114.16 1r47 s TRP 226 Ca 0.00 -0.55 -0.15 0.00 2.66 0.00 0.00 56.10 58.05 1r47 s TRP 226 Cb 0.00 -0.81 -0.09 0.00 -3.10 0.00 0.00 33.47 29.48 1r47 s TRP 226 CO 0.00 0.31 0.71 1.03 -2.66 0.00 0.00 176.95 176.34 1r47 s ARG 227 N -3.30 4.03 0.00 3.25 1.81 -0.37 -1.30 118.95 123.07 1r47 s ARG 227 Ca 0.19 0.67 0.00 0.00 -1.72 0.00 0.00 55.73 54.86 1r47 s ARG 227 Cb -0.02 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 1r47 s ARG 227 CO 0.06 0.23 0.00 0.09 -0.68 0.00 0.00 175.30 175.00 1r47 n ASN 228 N -0.08 0.70 -4.64 0.23 3.02 -1.23 -2.63 115.26 110.62 1r47 n ASN 228 Ca 0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.29 1r47 n ASN 228 Cb 0.53 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 1r47 n ASN 228 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1r47 s PHE 229 N -1.98 2.82 0.88 3.10 5.36 -1.26 -4.12 117.98 122.79 1r47 s PHE 229 Ca 0.00 -0.13 -0.21 0.00 -0.96 0.00 0.00 56.93 55.63 1r47 s PHE 229 Cb 0.00 -1.40 -0.16 0.00 -0.34 0.00 0.00 43.02 41.13 1r47 s PHE 229 CO 0.00 0.50 -1.10 0.00 -1.46 0.00 0.00 175.22 173.16 1r47 n ALA 230 N 0.11 -5.16 -0.49 11.12 0.00 -1.26 -4.90 120.51 119.94 1r47 n ALA 230 Ca -0.10 -0.97 -0.27 0.00 0.00 0.00 0.00 53.44 52.10 1r47 n ALA 230 Cb 0.54 -0.83 0.21 0.00 0.00 0.00 0.00 19.45 19.38 1r47 n ALA 230 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1r47 n ASP 231 N 3.09 -2.89 -4.03 0.00 8.00 -1.26 -5.00 116.55 114.45 1r47 n ASP 231 Ca -0.02 -0.39 -0.28 0.00 0.71 0.00 0.00 54.79 54.81 1r47 n ASP 231 Cb 0.60 -0.96 -0.17 0.00 -0.02 0.00 0.00 41.12 40.57 1r47 n ASP 231 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1r47 s ILE 232 N -2.18 1.41 0.72 0.53 2.07 -1.26 -5.05 121.20 117.43 1r47 s ILE 232 Ca 0.55 -0.58 -0.10 0.00 -1.41 0.00 0.00 60.65 59.11 1r47 s ILE 232 Cb -0.13 -1.30 0.04 0.00 0.13 0.00 0.00 42.46 41.21 1r47 s ILE 232 CO 0.55 0.42 1.08 -1.81 -1.91 0.00 0.00 174.94 173.27 1r47 s ASP 233 N 1.06 5.07 -1.31 4.50 1.01 -1.26 -4.90 116.67 120.83 1r47 s ASP 233 Ca -0.05 0.84 -0.09 0.00 0.71 0.00 0.00 52.55 53.95 1r47 s ASP 233 Cb -0.15 -1.55 0.14 0.00 1.01 0.00 0.00 42.92 42.38 1r47 s ASP 233 CO -0.02 -1.52 2.01 -0.67 0.21 0.00 0.00 175.17 175.17 1r47 n ASP 234 N -3.02 5.42 -3.84 0.27 2.03 -1.26 -4.81 116.55 111.34 1r47 n ASP 234 Ca 0.07 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.20 1r47 n ASP 234 Cb 0.59 -1.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.43 1r47 n ASP 234 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1r47 s SER 235 N 1.05 0.03 0.08 1.67 1.04 -1.26 -3.74 113.70 112.57 1r47 s SER 235 Ca 0.43 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 1r47 s SER 235 Cb 0.11 0.31 -0.11 0.00 0.10 0.00 0.00 66.02 66.43 1r47 s SER 235 CO -0.02 -0.60 1.40 -0.25 0.98 0.00 0.00 173.24 174.75 1r47 h TRP 236 N 3.29 0.66 0.01 5.02 -0.00 -1.90 -3.12 115.95 119.91 1r47 h TRP 236 Ca -0.32 -0.20 0.02 0.00 -0.00 0.00 0.00 58.89 58.39 1r47 h TRP 236 Cb 1.19 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 30.17 1r47 h TRP 236 CO 0.48 0.88 -0.42 -0.22 -0.00 0.00 0.00 178.44 179.16 1r47 h LYS 237 N 0.26 -0.51 -1.07 2.65 3.64 -1.96 0.17 116.57 119.75 1r47 h LYS 237 Ca 0.04 0.03 0.33 0.00 -1.27 0.00 0.00 60.65 59.78 1r47 h LYS 237 Cb 0.76 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 32.57 1r47 h LYS 237 CO 0.05 -0.34 0.64 1.03 -2.27 0.00 0.00 179.45 178.56 1r47 h SER 238 N -0.53 0.47 -0.05 4.20 0.87 -1.89 0.18 113.55 116.80 1r47 h SER 238 Ca 0.01 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1r47 h SER 238 Cb 0.57 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1r47 h SER 238 CO -0.28 -0.08 -0.19 0.40 -0.53 0.00 0.00 176.83 176.15 1r47 h ILE 239 N 0.32 1.45 -0.21 2.23 2.04 -1.12 -2.79 117.51 119.43 1r47 h ILE 239 Ca 0.72 -1.61 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1r47 h ILE 239 Cb 1.76 2.37 -0.07 0.00 -0.74 0.00 0.00 36.82 40.15 1r47 h ILE 239 CO -0.50 0.45 -0.26 0.11 0.00 0.00 0.00 178.15 177.94 1r47 h LYS 240 N -0.32 -0.28 -0.69 2.37 1.57 0.22 -0.66 116.57 118.77 1r47 h LYS 240 Ca -0.01 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1r47 h LYS 240 Cb 0.83 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.12 1r47 h LYS 240 CO 0.04 -0.19 0.29 0.66 -0.57 0.00 0.00 179.45 179.69 1r47 h SER 241 N -0.29 0.33 -0.35 0.86 4.64 -1.13 0.60 113.55 118.21 1r47 h SER 241 Ca 0.12 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1r47 h SER 241 Cb 0.48 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1r47 h SER 241 CO -0.38 0.17 0.22 0.40 -0.87 0.00 0.00 176.83 176.38 1r47 h ILE 242 N 0.49 1.07 0.56 0.95 2.04 -1.00 0.64 117.51 122.26 1r47 h ILE 242 Ca 0.35 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 1r47 h ILE 242 Cb 0.44 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1r47 h ILE 242 CO -0.32 0.08 -0.32 -0.07 0.00 0.00 0.00 178.15 177.53 1r47 h LEU 243 N 0.45 -0.78 -0.71 1.44 3.38 -0.08 0.40 115.31 119.40 1r47 h LEU 243 Ca 0.13 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1r47 h LEU 243 Cb -0.03 0.22 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 1r47 h LEU 243 CO -0.05 -0.50 -0.15 0.44 0.09 0.00 0.00 178.44 178.27 1r47 h ASP 244 N -0.81 -0.61 0.33 -0.43 3.32 -0.78 2.23 116.42 119.66 1r47 h ASP 244 Ca -0.08 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1r47 h ASP 244 Cb 0.64 0.43 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1r47 h ASP 244 CO 0.10 -0.23 -0.30 -0.25 -1.72 0.00 0.00 179.24 176.83 1r47 h TRP 245 N 0.01 -0.81 -0.71 4.55 7.01 0.47 0.92 115.95 127.39 1r47 h TRP 245 Ca 0.35 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.35 1r47 h TRP 245 Cb 0.55 0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 1r47 h TRP 245 CO -0.55 -0.44 0.44 1.15 -2.79 0.00 0.00 178.44 176.25 1r47 h THR 246 N -0.66 1.20 -0.62 2.65 2.02 0.19 -2.40 112.91 115.29 1r47 h THR 246 Ca -0.02 -0.42 0.12 0.00 0.77 0.00 0.00 66.41 66.87 1r47 h THR 246 Cb 0.59 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 67.10 1r47 h THR 246 CO -0.04 0.20 0.11 -1.28 0.37 0.00 0.00 175.52 174.88 1r47 h SER 247 N 0.96 -0.04 -0.71 4.18 0.87 0.41 -1.65 113.55 117.57 1r47 h SER 247 Ca 0.26 0.12 -0.39 0.00 -1.23 0.00 0.00 61.79 60.55 1r47 h SER 247 Cb -0.05 0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 61.94 1r47 h SER 247 CO -0.05 -0.02 0.33 0.33 -0.53 0.00 0.00 176.83 176.89 1r47 n PHE 248 N -5.16 1.41 -0.76 2.24 7.35 0.27 -3.99 117.46 118.83 1r47 n PHE 248 Ca 0.10 -1.90 0.00 0.00 -0.76 0.00 0.00 57.45 54.89 1r47 n PHE 248 Cb 0.35 -1.20 0.00 0.00 0.35 0.00 0.00 39.48 38.98 1r47 n PHE 248 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1r47 n ASN 249 N 0.79 0.00 -0.22 -2.13 3.02 -0.64 -4.96 115.26 111.12 1r47 n ASN 249 Ca 0.39 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 55.16 1r47 n ASN 249 Cb 0.59 0.00 0.39 0.00 -0.61 0.00 0.00 39.78 40.15 1r47 n ASN 249 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r47 n GLN 250 N 0.00 -0.04 -0.38 3.52 10.64 -1.09 -0.83 117.38 129.20 1r47 n GLN 250 Ca 0.00 0.90 -0.07 0.00 -1.83 0.00 0.00 57.00 56.00 1r47 n GLN 250 Cb 0.00 -1.62 -0.05 0.00 -0.86 0.00 0.00 30.24 27.71 1r47 n GLN 250 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1r47 n GLU 251 N -4.44 -0.35 0.09 2.61 4.71 -1.26 -1.56 120.64 120.44 1r47 n GLU 251 Ca 0.25 1.43 -0.22 0.00 -0.01 0.00 0.00 57.16 58.61 1r47 n GLU 251 Cb 0.86 -2.11 -0.14 0.00 -1.01 0.00 0.00 31.44 29.04 1r47 n GLU 251 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r47 h ARG 252 N 0.00 0.53 0.00 3.49 3.08 -1.41 -3.42 114.38 116.66 1r47 h ARG 252 Ca 0.21 -0.77 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1r47 h ARG 252 Cb 0.45 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1r47 h ARG 252 CO -0.90 1.35 -0.54 0.44 -1.07 0.00 0.00 179.97 179.25 1r47 n ILE 253 N -3.87 1.41 -0.46 2.04 -5.35 -0.95 -4.38 119.36 107.79 1r47 n ILE 253 Ca -0.14 0.22 0.35 0.00 -0.27 0.00 0.00 62.75 62.90 1r47 n ILE 253 Cb 0.96 -2.38 0.54 0.00 -1.74 0.00 0.00 39.64 37.02 1r47 n ILE 253 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1r47 n VAL 254 N -4.58 -0.03 0.10 7.28 3.14 -0.60 -1.58 118.33 122.06 1r47 n VAL 254 Ca -0.08 1.05 -0.05 0.00 -2.96 0.00 0.00 64.34 62.30 1r47 n VAL 254 Cb 0.28 -1.74 -0.02 0.00 -1.06 0.00 0.00 33.84 31.30 1r47 n VAL 254 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1r47 h ASP 255 N 0.00 -0.28 0.00 6.55 -0.00 -1.78 -3.32 116.42 117.59 1r47 h ASP 255 Ca 0.63 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.67 1r47 h ASP 255 Cb 2.46 0.07 0.00 0.00 -0.00 0.00 0.00 39.33 41.87 1r47 h ASP 255 CO -0.06 0.12 0.00 1.33 -0.00 0.00 0.00 179.24 180.63 1r47 n VAL 256 N -4.68 0.00 -3.23 2.25 0.24 -0.61 -4.70 118.33 107.59 1r47 n VAL 256 Ca -0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 1r47 n VAL 256 Cb 0.13 -0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 31.97 1r47 n VAL 256 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r47 s ALA 257 N -1.98 3.55 0.00 2.33 0.00 -1.24 -4.83 121.76 119.60 1r47 s ALA 257 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1r47 s ALA 257 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1r47 s ALA 257 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1r47 n GLY 258 N 1.86 0.55 3.45 0.00 0.00 -0.82 -4.65 105.19 105.58 1r47 n GLY 258 Ca -0.09 -1.14 -0.52 0.00 0.00 0.00 0.00 46.02 44.27 1r47 n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1r47 n PRO 259 N -0.81 0.14 0.00 1.61 -0.02 -1.26 -1.57 135.00 133.08 1r47 n PRO 259 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1r47 n PRO 259 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1r47 n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r47 n GLY 260 N 1.81 2.45 2.88 -1.23 0.00 0.32 -4.89 105.19 106.54 1r47 n GLY 260 Ca 0.18 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1r47 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r47 s GLY 261 N -0.46 0.45 0.17 -0.02 0.00 -0.61 -3.16 107.32 103.70 1r47 s GLY 261 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 44.72 44.72 1r47 s GLY 261 CO 0.00 0.50 -0.13 -0.98 0.00 0.00 0.00 173.10 172.49 1r47 s TRP 262 N 1.00 1.48 -0.12 1.90 0.52 -0.29 -1.94 118.94 121.49 1r47 s TRP 262 Ca -0.10 -0.65 -0.24 0.00 0.02 0.00 0.00 56.10 55.14 1r47 s TRP 262 Cb -0.14 -0.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.43 1r47 s TRP 262 CO -0.00 0.21 0.73 -0.80 0.02 0.00 0.00 176.95 177.11 1r47 s ASN 263 N -3.12 6.92 -0.31 2.95 0.01 -1.26 -2.60 114.94 117.53 1r47 s ASN 263 Ca 0.18 1.12 -0.00 0.00 -0.71 0.00 0.00 52.86 53.45 1r47 s ASN 263 Cb -0.00 -2.41 0.07 0.00 0.41 0.00 0.00 41.25 39.31 1r47 s ASN 263 CO 0.04 -0.23 0.01 -0.62 -1.51 0.00 0.00 177.10 174.78 1r47 s ASP 264 N 0.99 4.83 0.05 -1.22 2.15 -0.42 -4.22 116.67 118.81 1r47 s ASP 264 Ca 0.36 -1.51 -0.27 0.00 0.43 0.00 0.00 52.55 51.56 1r47 s ASP 264 Cb -0.17 -1.68 -0.17 0.00 -0.30 0.00 0.00 42.92 40.60 1r47 s ASP 264 CO 0.15 -0.30 1.49 -0.65 -0.17 0.00 0.00 175.17 175.69 1r47 h PRO 265 N 7.91 -0.43 0.00 4.34 0.11 -1.91 -3.27 132.00 138.74 1r47 h PRO 265 Ca -0.17 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1r47 h PRO 265 Cb 1.05 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1r47 h PRO 265 CO 0.54 -0.19 0.00 -3.47 -0.21 0.00 0.00 178.00 174.66 1r47 n ASP 266 N -5.22 0.00 -4.46 -2.05 -0.08 -1.26 -4.72 116.55 98.76 1r47 n ASP 266 Ca -0.10 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.86 1r47 n ASP 266 Cb 0.24 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.87 1r47 n ASP 266 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1r47 n MET 267 N -1.35 -0.99 -3.39 -0.67 2.81 -1.26 -4.70 117.12 107.58 1r47 n MET 267 Ca 0.00 -0.25 -0.42 0.00 -1.81 0.00 0.00 57.70 55.23 1r47 n MET 267 Cb 0.00 -2.00 -0.09 0.00 -0.71 0.00 0.00 33.22 30.41 1r47 n MET 267 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1r47 s LEU 268 N -3.52 4.64 -0.06 4.03 1.43 1.08 -4.92 118.68 121.36 1r47 s LEU 268 Ca 0.61 -0.44 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1r47 s LEU 268 Cb -0.20 -2.33 0.38 0.00 0.03 0.00 0.00 46.19 44.07 1r47 s LEU 268 CO 0.65 -0.42 1.22 1.33 0.23 0.00 0.00 176.35 179.35 1r47 n VAL 269 N 5.29 0.96 -2.25 -1.59 0.24 -1.26 -1.53 118.33 118.19 1r47 n VAL 269 Ca -0.09 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.18 1r47 n VAL 269 Cb 0.49 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1r47 n VAL 269 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1r47 s ILE 270 N -1.69 3.48 0.00 1.34 1.01 -1.26 -3.00 121.20 121.08 1r47 s ILE 270 Ca 0.27 1.10 0.00 0.00 0.00 0.00 0.00 60.65 62.02 1r47 s ILE 270 Cb 0.17 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1r47 s ILE 270 CO 0.13 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1r47 n GLY 271 N 3.12 0.77 0.00 6.18 0.00 -1.26 -4.78 105.19 109.22 1r47 n GLY 271 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1r47 n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r47 n ASN 272 N 0.00 0.00 0.00 1.61 4.13 -1.16 -4.60 115.26 115.24 1r47 n ASN 272 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1r47 n ASN 272 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1r47 n ASN 272 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1r47 n PHE 273 N 0.00 0.00 0.31 3.10 0.99 -1.26 -4.83 117.46 115.77 1r47 n PHE 273 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.65 1r47 n PHE 273 Cb 0.00 0.00 1.02 0.00 -1.00 0.00 0.00 39.48 39.50 1r47 n PHE 273 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1r47 h GLY 274 N 0.00 0.00 -5.40 1.37 0.00 -1.90 -3.43 103.07 93.70 1r47 h GLY 274 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1r47 h GLY 274 CO 0.00 0.00 -0.59 1.08 0.00 0.00 0.00 176.54 177.03 1r47 s LEU 275 N -6.34 3.79 0.96 3.11 1.43 -1.26 -4.26 118.68 116.11 1r47 s LEU 275 Ca -0.03 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 1r47 s LEU 275 Cb 0.12 -1.88 0.21 0.00 0.03 0.00 0.00 46.19 44.66 1r47 s LEU 275 CO 0.47 0.38 1.32 -0.94 0.23 0.00 0.00 176.35 177.81 1r47 s SER 276 N -0.87 3.05 0.03 2.29 1.04 -1.26 -4.82 113.70 113.16 1r47 s SER 276 Ca 0.13 0.19 -0.26 0.00 0.48 0.00 0.00 55.95 56.49 1r47 s SER 276 Cb -0.12 -0.21 -0.17 0.00 0.10 0.00 0.00 66.02 65.63 1r47 s SER 276 CO 0.03 -2.76 1.35 -0.25 0.98 0.00 0.00 173.24 172.58 1r47 h TRP 277 N -1.64 -0.44 -0.24 5.02 2.91 -1.99 -1.39 115.95 118.18 1r47 h TRP 277 Ca -0.44 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 59.64 1r47 h TRP 277 Cb 1.23 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 30.01 1r47 h TRP 277 CO -1.23 -0.14 0.19 -0.91 -1.03 0.00 0.00 178.44 175.32 1r47 h ASN 278 N -0.73 0.00 0.53 2.65 2.35 -1.90 -0.97 115.58 117.52 1r47 h ASN 278 Ca -0.05 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.51 1r47 h ASN 278 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1r47 h ASN 278 CO 0.08 0.00 -0.82 1.56 -1.65 0.00 0.00 177.43 176.60 1r47 h GLN 279 N 0.00 0.21 -0.03 0.81 4.20 -1.61 -3.17 115.11 115.53 1r47 h GLN 279 Ca 0.11 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1r47 h GLN 279 Cb 0.50 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1r47 h GLN 279 CO -0.00 0.92 -0.02 1.96 -0.67 0.00 0.00 178.83 181.02 1r47 h GLN 280 N 0.13 0.06 -0.97 1.46 4.20 -0.06 -2.94 115.11 116.99 1r47 h GLN 280 Ca -0.04 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.79 1r47 h GLN 280 Cb 1.43 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.12 1r47 h GLN 280 CO 0.13 0.51 0.61 -0.39 -0.67 0.00 0.00 178.83 179.02 1r47 h VAL 281 N -0.39 0.84 0.39 -0.54 -1.51 -1.59 -2.05 116.25 111.40 1r47 h VAL 281 Ca 0.00 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1r47 h VAL 281 Cb 0.50 -0.08 -0.03 0.00 -2.13 0.00 0.00 31.29 29.55 1r47 h VAL 281 CO 0.01 0.16 -0.50 0.74 -1.23 0.00 0.00 177.57 176.74 1r47 h THR 282 N 0.85 0.00 -0.26 7.19 2.02 -1.50 0.61 112.91 121.82 1r47 h THR 282 Ca 0.50 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.75 1r47 h THR 282 Cb 0.66 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 1r47 h THR 282 CO -0.27 0.00 -0.21 -0.61 0.37 0.00 0.00 175.52 174.79 1r47 h GLN 283 N -0.91 -0.20 -0.03 6.66 4.15 -1.22 0.19 115.11 123.75 1r47 h GLN 283 Ca -0.05 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.41 1r47 h GLN 283 Cb 0.82 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 1r47 h GLN 283 CO -0.12 -0.13 -0.13 1.98 -1.93 0.00 0.00 178.83 178.50 1r47 h MET 284 N -0.21 -0.20 -0.31 1.69 4.05 -1.20 0.30 114.93 119.06 1r47 h MET 284 Ca 0.14 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.63 1r47 h MET 284 Cb 0.43 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.22 1r47 h MET 284 CO -0.38 -0.14 -0.03 0.00 0.23 0.00 0.00 176.91 176.59 1r47 h ALA 285 N 0.77 0.25 -0.08 0.39 0.00 0.94 -2.32 119.26 119.20 1r47 h ALA 285 Ca 0.06 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1r47 h ALA 285 Cb 0.28 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r47 h ALA 285 CO -0.15 -0.43 -0.65 -0.07 0.00 0.00 0.00 179.25 177.95 1r47 h LEU 286 N 0.05 0.37 -1.39 0.00 3.38 -0.31 -2.15 115.31 115.26 1r47 h LEU 286 Ca 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1r47 h LEU 286 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1r47 h LEU 286 CO -0.28 0.92 0.20 -0.50 0.09 0.00 0.00 178.44 178.87 1r47 h TRP 287 N 0.23 0.60 -0.66 1.13 -0.00 -0.20 0.17 115.95 117.23 1r47 h TRP 287 Ca -0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.80 1r47 h TRP 287 Cb 1.19 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 30.13 1r47 h TRP 287 CO 0.03 0.46 0.17 0.00 -0.00 0.00 0.00 178.44 179.10 1r47 h ALA 288 N 1.61 0.86 -0.51 1.49 0.00 -1.18 -2.50 119.26 119.04 1r47 h ALA 288 Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1r47 h ALA 288 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1r47 h ALA 288 CO -0.02 0.57 -0.03 0.82 0.00 0.00 0.00 179.25 180.59 1r47 h ILE 289 N 0.97 1.25 -0.69 0.00 1.08 -0.44 -3.12 117.51 116.56 1r47 h ILE 289 Ca 0.21 -1.09 -0.46 0.00 -0.39 0.00 0.00 64.86 63.13 1r47 h ILE 289 Cb 0.35 0.89 -0.20 0.00 -3.07 0.00 0.00 36.82 34.79 1r47 h ILE 289 CO -0.00 0.39 0.59 0.23 -0.69 0.00 0.00 178.15 178.66 1r47 n MET 290 N -4.19 2.13 -2.06 2.37 2.81 0.45 0.02 117.12 118.64 1r47 n MET 290 Ca 0.02 -2.25 0.00 0.00 -1.81 0.00 0.00 57.70 53.67 1r47 n MET 290 Cb 0.33 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 1r47 n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r47 n ALA 291 N -0.23 -0.75 -2.74 3.04 0.00 -1.13 -4.80 120.51 113.90 1r47 n ALA 291 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 1r47 n ALA 291 Cb 0.70 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.09 1r47 n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r47 s ALA 292 N -1.95 3.41 0.33 0.00 0.00 -1.00 -4.34 121.76 118.20 1r47 s ALA 292 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 1r47 s ALA 292 Cb 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.79 1r47 s ALA 292 CO 0.00 0.54 1.41 -2.14 0.00 0.00 0.00 175.76 175.57 1r47 s PRO 293 N -2.89 4.25 -0.55 0.00 0.02 -1.26 -4.82 135.00 129.75 1r47 s PRO 293 Ca 0.29 2.37 -0.17 0.00 0.02 0.00 0.00 61.00 63.51 1r47 s PRO 293 Cb -0.10 -3.04 0.12 0.00 0.02 0.00 0.00 34.50 31.49 1r47 s PRO 293 CO 0.21 -0.37 0.55 -0.51 -0.33 0.00 0.00 177.00 176.55 1r47 s LEU 294 N -1.51 5.89 -0.18 -5.54 1.43 -0.30 -4.84 118.68 113.63 1r47 s LEU 294 Ca 0.53 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1r47 s LEU 294 Cb -0.43 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1r47 s LEU 294 CO 0.54 -0.91 -0.08 -0.36 0.23 0.00 0.00 176.35 175.77 1r47 s PHE 295 N 1.93 2.07 0.72 0.29 0.40 -1.25 -0.06 117.98 122.09 1r47 s PHE 295 Ca 0.06 -1.36 -0.11 0.00 -0.60 0.00 0.00 56.93 54.92 1r47 s PHE 295 Cb -0.28 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1r47 s PHE 295 CO 0.04 -0.69 1.08 -1.64 0.70 0.00 0.00 175.22 174.72 1r47 s MET 296 N 1.51 2.73 -0.45 0.44 -1.94 -0.68 0.35 119.30 121.26 1r47 s MET 296 Ca -0.01 0.68 0.06 0.00 -1.71 0.00 0.00 55.69 54.71 1r47 s MET 296 Cb -0.16 -1.99 0.21 0.00 2.01 0.00 0.00 34.83 34.90 1r47 s MET 296 CO -0.08 -1.18 0.60 0.45 -0.01 0.00 0.00 175.02 174.80 1r47 n SER 297 N -3.14 -1.66 -3.98 3.03 2.88 -0.58 -0.85 113.62 109.32 1r47 n SER 297 Ca 0.07 -2.78 -0.10 0.00 -1.33 0.00 0.00 58.87 54.73 1r47 n SER 297 Cb 0.56 0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 64.50 1r47 n SER 297 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1r47 s ASN 298 N -0.35 0.03 -0.56 -3.46 2.20 -1.26 -3.98 114.94 107.56 1r47 s ASN 298 Ca 0.32 -0.91 -0.20 0.00 -0.94 0.00 0.00 52.86 51.14 1r47 s ASN 298 Cb 0.10 0.45 0.07 0.00 -2.00 0.00 0.00 41.25 39.87 1r47 s ASN 298 CO -0.15 -0.92 0.75 -0.62 -2.94 0.00 0.00 177.10 173.22 1r47 s ASP 299 N -2.98 6.22 0.00 3.54 -1.08 -1.26 -4.89 116.67 116.21 1r47 s ASP 299 Ca 0.19 -0.99 0.06 0.00 -0.52 0.00 0.00 52.55 51.28 1r47 s ASP 299 Cb 0.03 -2.34 0.32 0.00 -1.46 0.00 0.00 42.92 39.47 1r47 s ASP 299 CO 0.02 -1.09 0.93 0.18 0.52 0.00 0.00 175.17 175.72 1r47 n LEU 300 N 6.65 0.00 -0.08 -1.34 4.32 -1.26 -2.30 117.00 123.00 1r47 n LEU 300 Ca -0.06 0.15 -0.11 0.00 -0.02 0.00 0.00 56.01 55.97 1r47 n LEU 300 Cb 0.45 -0.15 -0.07 0.00 -1.62 0.00 0.00 43.42 42.04 1r47 n LEU 300 CO 0.58 -0.12 -0.21 0.03 -1.22 0.00 0.00 177.39 176.46 1r47 h ARG 301 N 0.00 0.00 -2.93 3.23 3.08 -1.99 -3.40 114.38 112.38 1r47 h ARG 301 Ca 0.00 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.30 1r47 h ARG 301 Cb 0.03 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.76 1r47 h ARG 301 CO 0.00 0.51 0.35 0.72 -1.07 0.00 0.00 179.97 180.48 1r47 n HIS 302 N -4.59 3.24 -4.64 3.04 8.25 -0.97 -4.99 115.22 114.56 1r47 n HIS 302 Ca -0.15 -3.29 -0.25 0.00 -0.26 0.00 0.00 57.72 53.77 1r47 n HIS 302 Cb 0.39 -1.17 -0.16 0.00 1.12 0.00 0.00 29.99 30.17 1r47 n HIS 302 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1r47 s ILE 303 N -2.33 1.20 0.52 1.59 2.07 -1.18 -4.67 121.20 118.40 1r47 s ILE 303 Ca 0.32 -0.54 -0.20 0.00 -1.41 0.00 0.00 60.65 58.82 1r47 s ILE 303 Cb 0.03 -1.07 -0.09 0.00 0.13 0.00 0.00 42.46 41.46 1r47 s ILE 303 CO 0.02 0.36 0.79 -1.54 -1.91 0.00 0.00 174.94 172.66 1r47 n SER 304 N 3.59 0.13 -0.07 4.50 3.41 -1.26 -4.82 113.62 119.10 1r47 n SER 304 Ca -0.21 0.86 -0.14 0.00 -0.26 0.00 0.00 58.87 59.12 1r47 n SER 304 Cb 0.52 -1.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.14 1r47 n SER 304 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1r47 h PRO 305 N 0.74 0.63 -0.78 4.33 0.11 -2.00 -1.81 132.00 133.21 1r47 h PRO 305 Ca -0.45 -0.39 0.09 0.00 0.11 0.00 0.00 66.00 65.36 1r47 h PRO 305 Cb 1.37 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.47 1r47 h PRO 305 CO 0.51 1.00 0.51 -0.56 -0.21 0.00 0.00 178.00 179.25 1r47 h GLN 306 N 0.32 0.72 0.25 1.05 3.07 -2.00 -1.03 115.11 117.48 1r47 h GLN 306 Ca 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1r47 h GLN 306 Cb 0.95 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.35 1r47 h GLN 306 CO 0.08 0.47 -0.12 0.00 0.09 0.00 0.00 178.83 179.36 1r47 h ALA 307 N 1.60 -0.61 -1.54 0.06 0.00 -1.86 -3.14 119.26 113.76 1r47 h ALA 307 Ca 0.36 -0.07 0.48 0.00 0.00 0.00 0.00 54.91 55.67 1r47 h ALA 307 Cb 0.41 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1r47 h ALA 307 CO -0.13 -0.59 1.06 -0.22 0.00 0.00 0.00 179.25 179.36 1r47 h LYS 308 N -0.55 0.04 0.36 0.00 3.64 -1.15 0.49 116.57 119.41 1r47 h LYS 308 Ca -0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1r47 h LYS 308 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1r47 h LYS 308 CO 0.06 0.03 -0.18 0.00 -2.27 0.00 0.00 179.45 177.09 1r47 h ALA 309 N 1.37 -0.49 0.96 5.00 0.00 -1.18 -2.18 119.26 122.74 1r47 h ALA 309 Ca 0.84 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 1r47 h ALA 309 Cb 2.99 0.19 0.01 0.00 0.00 0.00 0.00 17.79 20.97 1r47 h ALA 309 CO -0.24 -0.75 -0.49 1.25 0.00 0.00 0.00 179.25 179.02 1r47 h LEU 310 N -0.54 -1.19 -1.98 0.00 5.85 -0.01 -1.57 115.31 115.88 1r47 h LEU 310 Ca -0.05 0.05 0.47 0.00 0.84 0.00 0.00 57.88 59.19 1r47 h LEU 310 Cb 0.41 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1r47 h LEU 310 CO 0.08 -0.81 1.19 -0.07 -0.34 0.00 0.00 178.44 178.49 1r47 h LEU 311 N -1.33 0.00 -2.02 2.25 3.38 -1.29 0.12 115.31 116.42 1r47 h LEU 311 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1r47 h LEU 311 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1r47 h LEU 311 CO 0.20 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1r47 n GLN 312 N -4.02 1.78 -1.46 1.13 6.02 -0.82 -4.96 117.38 115.04 1r47 n GLN 312 Ca 0.36 -1.75 -0.46 0.00 -0.01 0.00 0.00 57.00 55.14 1r47 n GLN 312 Cb 1.69 -1.34 -0.08 0.00 1.02 0.00 0.00 30.24 31.52 1r47 n GLN 312 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1r47 n ASP 313 N 0.95 1.64 -0.30 1.08 -0.08 0.41 -4.81 116.55 115.43 1r47 n ASP 313 Ca 0.12 0.18 0.12 0.00 -1.51 0.00 0.00 54.79 53.71 1r47 n ASP 313 Cb 0.44 -1.22 0.29 0.00 2.34 0.00 0.00 41.12 42.97 1r47 n ASP 313 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1r47 h LYS 314 N 13.56 0.28 -0.09 -0.67 1.57 -1.90 -0.68 116.57 128.65 1r47 h LYS 314 Ca -0.20 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 1r47 h LYS 314 Cb 1.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1r47 h LYS 314 CO 1.14 0.18 -0.40 -0.44 -0.57 0.00 0.00 179.45 179.37 1r47 h ASP 315 N 0.29 0.20 0.20 0.86 3.32 -1.97 -1.89 116.42 117.43 1r47 h ASP 315 Ca 0.54 -0.08 -0.29 0.00 0.02 0.00 0.00 57.03 57.22 1r47 h ASP 315 Cb 1.06 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.58 1r47 h ASP 315 CO -0.59 0.59 -1.34 0.58 -1.72 0.00 0.00 179.24 176.76 1r47 h VAL 316 N 0.17 1.27 -0.94 -1.35 2.07 -1.54 -2.94 116.25 112.99 1r47 h VAL 316 Ca 0.02 -2.60 0.01 0.00 0.82 0.00 0.00 66.70 64.95 1r47 h VAL 316 Cb 0.78 3.02 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 1r47 h VAL 316 CO 0.06 0.78 0.62 0.40 0.02 0.00 0.00 177.57 179.46 1r47 h ILE 317 N -0.04 1.23 -0.13 4.57 2.04 -1.18 -1.79 117.51 122.21 1r47 h ILE 317 Ca -0.24 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.22 1r47 h ILE 317 Cb 1.99 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1r47 h ILE 317 CO 0.21 0.23 -0.09 0.00 0.00 0.00 0.00 178.15 178.50 1r47 h ALA 318 N 1.42 0.01 0.20 1.87 0.00 -1.38 0.43 119.26 121.81 1r47 h ALA 318 Ca 0.35 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1r47 h ALA 318 Cb -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1r47 h ALA 318 CO -0.08 -0.54 -0.33 0.82 0.00 0.00 0.00 179.25 179.12 1r47 h ILE 319 N -0.10 0.31 -0.42 0.00 2.04 -1.16 -0.13 117.51 118.05 1r47 h ILE 319 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1r47 h ILE 319 Cb 0.22 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1r47 h ILE 319 CO -0.19 0.00 0.28 -1.13 0.00 0.00 0.00 178.15 177.11 1r47 h ASN 320 N -0.61 0.32 -0.27 1.72 -0.73 -1.02 -0.88 115.58 114.13 1r47 h ASN 320 Ca 0.01 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1r47 h ASN 320 Cb 0.60 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.12 1r47 h ASN 320 CO -0.14 0.22 0.00 0.00 -0.37 0.00 0.00 177.43 177.13 1r47 n GLN 321 N -4.48 1.79 -1.56 6.67 1.13 0.15 -4.63 117.38 116.45 1r47 n GLN 321 Ca 0.05 -1.04 -0.52 0.00 -1.94 0.00 0.00 57.00 53.55 1r47 n GLN 321 Cb 0.21 -1.32 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 1r47 n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1r47 n ASP 322 N 0.30 1.10 0.16 1.08 2.03 -0.17 -4.83 116.55 116.23 1r47 n ASP 322 Ca 0.10 1.13 0.02 0.00 0.52 0.00 0.00 54.79 56.56 1r47 n ASP 322 Cb 0.30 -1.14 0.37 0.00 -0.72 0.00 0.00 41.12 39.94 1r47 n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r47 h PRO 323 N 3.70 0.10 0.14 -0.67 0.13 -1.90 -3.18 132.00 130.32 1r47 h PRO 323 Ca -0.46 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1r47 h PRO 323 Cb 1.36 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 1r47 h PRO 323 CO 0.72 0.37 -0.31 1.25 -0.23 0.00 0.00 178.00 179.80 1r47 h LEU 324 N 0.09 -0.90 -0.38 1.56 6.46 -1.91 -3.48 115.31 116.76 1r47 h LEU 324 Ca 0.01 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1r47 h LEU 324 Cb 0.54 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1r47 h LEU 324 CO 0.04 -0.41 0.00 0.61 -0.62 0.00 0.00 178.44 178.06 1r47 n GLY 325 N -1.42 0.96 3.33 3.75 0.00 -1.20 -4.67 105.19 105.94 1r47 n GLY 325 Ca -0.07 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1r47 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r47 s LYS 326 N -3.11 2.79 0.30 1.61 -0.14 -1.26 -3.80 119.74 116.13 1r47 s LYS 326 Ca 0.00 -1.38 -0.29 0.00 -1.36 0.00 0.00 55.97 52.94 1r47 s LYS 326 Cb 0.00 -3.94 -0.10 0.00 -1.68 0.00 0.00 37.83 32.11 1r47 s LYS 326 CO 0.00 -0.96 1.43 -1.14 -0.76 0.00 0.00 175.35 173.92 1r47 s GLN 327 N 1.53 4.24 0.00 1.68 0.74 -1.26 -4.38 119.66 122.21 1r47 s GLN 327 Ca 0.03 2.37 0.00 0.00 0.05 0.00 0.00 55.36 57.81 1r47 s GLN 327 Cb -0.23 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.82 1r47 s GLN 327 CO 0.05 -0.41 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 1r47 n GLY 328 N 1.47 -2.25 3.58 2.59 0.00 0.10 -4.81 105.19 105.87 1r47 n GLY 328 Ca 0.04 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 1r47 n GLY 328 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1r47 s TYR 329 N -0.94 -0.17 0.13 1.61 -0.85 -0.32 -4.85 117.35 111.96 1r47 s TYR 329 Ca 0.00 0.12 -0.30 0.00 -0.52 0.00 0.00 57.07 56.36 1r47 s TYR 329 Cb 0.00 0.52 -0.07 0.00 0.38 0.00 0.00 41.96 42.79 1r47 s TYR 329 CO 0.00 -0.27 1.17 -1.14 -1.52 0.00 0.00 175.55 173.79 1r47 s GLN 330 N -2.48 4.50 -0.19 -3.49 0.74 -1.26 -1.62 119.66 115.85 1r47 s GLN 330 Ca 0.08 1.79 -0.16 0.00 0.05 0.00 0.00 55.36 57.11 1r47 s GLN 330 Cb -0.01 -3.29 -0.07 0.00 1.10 0.00 0.00 33.01 30.74 1r47 s GLN 330 CO -0.05 -0.11 -0.32 -0.11 -0.55 0.00 0.00 175.29 174.15 1r47 n LEU 331 N 3.04 1.93 -4.71 3.68 7.94 0.60 -4.95 117.00 124.52 1r47 n LEU 331 Ca 0.06 0.37 -0.23 0.00 -1.11 0.00 0.00 56.01 55.10 1r47 n LEU 331 Cb 0.46 -0.77 -0.06 0.00 0.53 0.00 0.00 43.42 43.57 1r47 n LEU 331 CO 0.55 -0.15 -0.23 -0.13 -1.11 0.00 0.00 177.39 176.32 1r47 s ARG 332 N -2.76 2.40 0.12 1.96 0.52 -1.10 -4.96 118.95 115.13 1r47 s ARG 332 Ca -0.29 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 53.47 1r47 s ARG 332 Cb 0.06 -2.21 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 1r47 s ARG 332 CO 0.42 0.21 0.06 1.04 0.02 0.00 0.00 175.30 177.05 1r47 n GLN 333 N -1.08 0.62 0.00 3.54 1.13 -1.26 -3.04 117.38 117.29 1r47 n GLN 333 Ca -0.04 -1.04 0.00 0.00 -1.94 0.00 0.00 57.00 53.98 1r47 n GLN 333 Cb 0.60 0.65 0.00 0.00 0.11 0.00 0.00 30.24 31.60 1r47 n GLN 333 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r47 n GLY 334 N 0.91 -1.31 2.52 1.08 0.00 -1.25 -4.82 105.19 102.32 1r47 n GLY 334 Ca -0.01 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 1r47 n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r47 n ASP 335 N -0.79 -5.58 -2.91 1.61 2.03 -1.26 -2.18 116.55 107.47 1r47 n ASP 335 Ca 0.00 0.32 -0.13 0.00 0.52 0.00 0.00 54.79 55.51 1r47 n ASP 335 Cb 0.00 -4.82 0.07 0.00 -0.72 0.00 0.00 41.12 35.64 1r47 n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1r47 n ASN 336 N -1.58 -3.37 -3.72 1.67 3.02 -1.26 -4.95 115.26 105.07 1r47 n ASN 336 Ca -0.22 -0.52 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1r47 n ASN 336 Cb 0.68 -4.19 -0.11 0.00 -0.61 0.00 0.00 39.78 35.55 1r47 n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1r47 s PHE 337 N -3.29 -0.49 -0.07 3.10 2.99 -0.93 -3.02 117.98 116.27 1r47 s PHE 337 Ca 0.13 1.13 0.03 0.00 0.00 0.00 0.00 56.93 58.22 1r47 s PHE 337 Cb -0.02 0.19 0.01 0.00 0.00 0.00 0.00 43.02 43.20 1r47 s PHE 337 CO 0.58 -0.26 -0.16 -1.21 -0.00 0.00 0.00 175.22 174.17 1r47 s GLU 338 N 0.72 2.02 -0.27 0.44 2.02 -0.84 -3.74 118.70 119.05 1r47 s GLU 338 Ca -0.04 -0.56 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 1r47 s GLU 338 Cb -0.05 -1.64 0.04 0.00 0.10 0.00 0.00 34.13 32.58 1r47 s GLU 338 CO -0.05 0.11 -0.06 0.08 0.02 0.00 0.00 175.26 175.37 1r47 s VAL 339 N 0.44 2.71 0.28 2.63 1.01 -1.17 -1.95 120.40 124.35 1r47 s VAL 339 Ca -0.13 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 60.62 1r47 s VAL 339 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1r47 s VAL 339 CO 0.05 0.04 0.22 0.26 0.00 0.00 0.00 175.10 175.67 1r47 s TRP 340 N 1.24 3.02 -0.17 5.22 0.52 -0.81 0.22 118.94 128.18 1r47 s TRP 340 Ca -0.04 -0.18 -0.29 0.00 0.02 0.00 0.00 56.10 55.61 1r47 s TRP 340 Cb -0.18 -1.53 0.11 0.00 -1.15 0.00 0.00 33.47 30.72 1r47 s TRP 340 CO -0.04 0.41 0.92 -1.83 0.02 0.00 0.00 176.95 176.43 1r47 s GLU 341 N -3.89 0.69 -0.03 4.98 -1.05 -0.64 0.25 118.70 119.01 1r47 s GLU 341 Ca 0.35 0.34 0.01 0.00 -0.15 0.00 0.00 54.97 55.53 1r47 s GLU 341 Cb -0.07 0.33 0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1r47 s GLU 341 CO 0.25 -0.18 -0.02 0.50 0.95 0.00 0.00 175.26 176.76 1r47 s ARG 342 N -0.69 0.45 0.31 -4.83 3.52 -0.33 -1.17 118.95 116.21 1r47 s ARG 342 Ca -0.02 -0.02 -0.27 0.00 -0.13 0.00 0.00 55.73 55.29 1r47 s ARG 342 Cb -0.02 -0.54 -0.10 0.00 -1.56 0.00 0.00 34.95 32.73 1r47 s ARG 342 CO 0.01 -0.07 0.95 -1.25 -0.81 0.00 0.00 175.30 174.13 1r47 s PRO 343 N 0.76 4.61 0.00 5.12 0.04 -1.26 -0.96 135.00 143.31 1r47 s PRO 343 Ca -0.08 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1r47 s PRO 343 Cb -0.12 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1r47 s PRO 343 CO -0.01 0.30 0.00 1.28 0.04 0.00 0.00 177.00 178.61 1r47 n LEU 344 N 0.69 0.00 -4.82 -3.56 4.77 0.64 -4.56 117.00 110.16 1r47 n LEU 344 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 1r47 n LEU 344 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1r47 n LEU 344 CO 0.45 0.00 -0.19 -0.44 -1.33 0.00 0.00 177.39 175.89 1r47 s SER 345 N -0.06 5.61 -1.00 -1.43 0.01 -1.26 -4.63 113.70 110.94 1r47 s SER 345 Ca 0.00 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.06 1r47 s SER 345 Cb 0.00 -1.48 0.01 0.00 0.21 0.00 0.00 66.02 64.76 1r47 s SER 345 CO 0.00 0.03 0.77 0.61 0.41 0.00 0.00 173.24 175.06 1r47 n GLY 346 N -0.68 -0.13 2.67 3.44 0.00 -1.26 -2.89 105.19 106.33 1r47 n GLY 346 Ca -0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1r47 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r47 n LEU 347 N -3.58 -1.05 -4.87 0.99 4.77 -1.26 -4.61 117.00 107.38 1r47 n LEU 347 Ca -0.01 0.42 -0.36 0.00 -0.03 0.00 0.00 56.01 56.03 1r47 n LEU 347 Cb 0.55 -2.77 -0.06 0.00 -2.33 0.00 0.00 43.42 38.82 1r47 n LEU 347 CO 0.44 -1.06 -0.05 0.00 -1.33 0.00 0.00 177.39 175.39 1r47 s ALA 348 N -2.45 3.82 0.02 -1.18 0.00 -1.14 -3.68 121.76 117.16 1r47 s ALA 348 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1r47 s ALA 348 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 1r47 s ALA 348 CO 0.00 0.61 -0.14 -1.58 0.00 0.00 0.00 175.76 174.65 1r47 s TRP 349 N -1.21 1.24 -0.05 0.00 0.52 0.90 -0.26 118.94 120.08 1r47 s TRP 349 Ca 0.24 -0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 1r47 s TRP 349 Cb -0.14 -0.76 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 1r47 s TRP 349 CO 0.13 0.02 0.07 0.00 0.02 0.00 0.00 176.95 177.19 1r47 s ALA 350 N -0.68 3.57 -0.01 0.98 0.00 -0.13 0.58 121.76 126.06 1r47 s ALA 350 Ca 0.03 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1r47 s ALA 350 Cb -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1r47 s ALA 350 CO 0.01 0.65 -0.02 0.08 0.00 0.00 0.00 175.76 176.48 1r47 s VAL 351 N -1.08 0.18 0.10 0.00 1.01 0.18 -1.19 120.40 119.59 1r47 s VAL 351 Ca 0.19 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1r47 s VAL 351 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1r47 s VAL 351 CO 0.09 0.07 -0.05 0.00 0.00 0.00 0.00 175.10 175.21 1r47 s ALA 352 N 0.19 3.13 -0.30 5.51 0.00 0.14 0.27 121.76 130.69 1r47 s ALA 352 Ca -0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1r47 s ALA 352 Cb -0.04 -1.04 0.11 0.00 0.00 0.00 0.00 23.12 22.15 1r47 s ALA 352 CO -0.01 0.67 0.14 -1.64 0.00 0.00 0.00 175.76 174.93 1r47 s MET 353 N -2.28 0.27 -0.20 0.00 -1.94 -0.75 -1.93 119.30 112.46 1r47 s MET 353 Ca 0.24 -0.69 -0.10 0.00 -1.71 0.00 0.00 55.69 53.42 1r47 s MET 353 Cb -0.11 -1.22 -0.05 0.00 2.01 0.00 0.00 34.83 35.46 1r47 s MET 353 CO 0.16 -1.05 0.15 0.42 -0.01 0.00 0.00 175.02 174.69 1r47 s ILE 354 N 1.90 5.39 -0.73 2.53 1.01 -0.82 -1.07 121.20 129.42 1r47 s ILE 354 Ca 0.11 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 1r47 s ILE 354 Cb -0.17 -3.49 0.17 0.00 0.01 0.00 0.00 42.46 38.98 1r47 s ILE 354 CO -0.30 0.42 0.72 0.21 0.00 0.00 0.00 174.94 175.99 1r47 s ASN 355 N 0.48 6.51 0.00 3.58 2.47 -1.04 -1.98 114.94 124.96 1r47 s ASN 355 Ca 0.09 -2.19 0.00 0.00 0.42 0.00 0.00 52.86 51.17 1r47 s ASN 355 Cb -0.12 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1r47 s ASN 355 CO -0.01 -0.78 0.39 0.54 -3.72 0.00 0.00 177.10 173.53 1r47 n ARG 356 N 4.94 0.76 -3.12 0.43 5.12 -1.17 -0.66 116.66 122.97 1r47 n ARG 356 Ca 0.04 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.50 1r47 n ARG 356 Cb 0.45 -1.36 -0.02 0.00 -1.16 0.00 0.00 32.46 30.36 1r47 n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1r47 s GLN 357 N -1.04 3.61 0.65 5.56 0.74 -1.26 -4.91 119.66 123.01 1r47 s GLN 357 Ca 0.00 -2.12 0.18 0.00 0.05 0.00 0.00 55.36 53.47 1r47 s GLN 357 Cb 0.00 -4.68 0.91 0.00 1.10 0.00 0.00 33.01 30.34 1r47 s GLN 357 CO 0.00 -1.54 1.49 0.93 -0.55 0.00 0.00 175.29 175.63 1r47 h GLU 358 N 8.30 0.00 -5.66 1.67 4.39 -1.95 -3.40 114.58 117.92 1r47 h GLU 358 Ca 0.14 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.32 1r47 h GLU 358 Cb 1.03 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.54 1r47 h GLU 358 CO 0.93 0.00 -0.70 -1.50 -1.16 0.00 0.00 179.01 176.58 1r47 s ILE 359 N -4.17 1.84 0.00 3.13 2.07 -1.26 -4.96 121.20 117.85 1r47 s ILE 359 Ca -0.02 -2.19 0.00 0.00 -1.41 0.00 0.00 60.65 57.03 1r47 s ILE 359 Cb 0.07 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.31 1r47 s ILE 359 CO 0.23 -0.38 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1r47 n GLY 360 N -0.56 0.85 0.00 1.50 0.00 -1.26 -5.00 105.19 100.72 1r47 n GLY 360 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1r47 n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r47 n GLY 361 N 0.00 5.40 3.65 -0.02 0.00 -1.26 -4.99 105.19 107.97 1r47 n GLY 361 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1r47 n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r47 s PRO 362 N 1.25 4.14 0.71 1.61 0.04 -1.26 -4.24 135.00 137.25 1r47 s PRO 362 Ca 0.00 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1r47 s PRO 362 Cb 0.00 -3.78 0.12 0.00 0.04 0.00 0.00 34.50 30.87 1r47 s PRO 362 CO 0.00 -0.83 0.98 1.03 0.04 0.00 0.00 177.00 178.22 1r47 s ARG 363 N 3.67 1.76 -0.04 4.56 0.52 -0.98 -4.78 118.95 123.65 1r47 s ARG 363 Ca 0.53 -1.01 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 1r47 s ARG 363 Cb -0.19 -2.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 1r47 s ARG 363 CO 0.16 -1.39 -0.19 -1.54 0.02 0.00 0.00 175.30 172.35 1r47 s SER 364 N -4.70 2.41 -0.02 0.23 1.04 -1.26 -0.49 113.70 110.91 1r47 s SER 364 Ca 0.65 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.76 1r47 s SER 364 Cb -0.06 -0.63 -0.02 0.00 0.10 0.00 0.00 66.02 65.41 1r47 s SER 364 CO 0.44 0.18 -0.25 -0.47 0.98 0.00 0.00 173.24 174.13 1r47 s TYR 365 N -0.06 2.20 -0.03 5.02 5.04 0.18 -4.96 117.35 124.75 1r47 s TYR 365 Ca -0.03 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.20 1r47 s TYR 365 Cb -0.12 -1.42 0.01 0.00 0.35 0.00 0.00 41.96 40.79 1r47 s TYR 365 CO 0.02 -0.04 -0.06 0.95 -1.34 0.00 0.00 175.55 175.09 1r47 s THR 366 N -0.57 0.57 0.19 4.34 -4.23 -1.26 -0.57 115.64 114.10 1r47 s THR 366 Ca 0.09 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1r47 s THR 366 Cb -0.09 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 1r47 s THR 366 CO -0.01 0.21 0.06 0.27 -0.54 0.00 0.00 174.62 174.61 1r47 s ILE 367 N 0.55 0.38 -0.79 2.99 -5.25 -0.05 -4.99 121.20 114.04 1r47 s ILE 367 Ca -0.07 -1.97 -0.26 0.00 -0.99 0.00 0.00 60.65 57.36 1r47 s ILE 367 Cb -0.11 -2.29 0.03 0.00 2.95 0.00 0.00 42.46 43.04 1r47 s ILE 367 CO 0.00 -0.28 1.38 0.00 -1.79 0.00 0.00 174.94 174.25 1r47 s ALA 368 N -3.87 2.67 0.18 2.27 0.00 -1.26 -1.81 121.76 119.93 1r47 s ALA 368 Ca 0.30 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1r47 s ALA 368 Cb 0.07 -4.33 0.48 0.00 0.00 0.00 0.00 23.12 19.34 1r47 s ALA 368 CO 0.07 -3.45 0.86 0.28 0.00 0.00 0.00 175.76 173.52 1r47 n VAL 369 N 6.59 -0.23 0.00 0.00 0.31 -0.87 -0.87 118.33 123.26 1r47 n VAL 369 Ca 0.12 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.63 1r47 n VAL 369 Cb 0.50 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1r47 n VAL 369 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r47 n ALA 370 N -3.24 -0.35 -0.09 3.52 0.00 -1.07 -2.88 120.51 116.40 1r47 n ALA 370 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.58 1r47 n ALA 370 Cb 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 1r47 n ALA 370 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r47 n SER 371 N -1.93 0.76 0.00 0.00 3.41 -0.05 -3.38 113.62 112.43 1r47 n SER 371 Ca 0.00 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1r47 n SER 371 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1r47 n SER 371 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1r47 n LEU 372 N 2.16 0.00 -3.10 1.04 7.94 -1.14 -4.77 117.00 119.13 1r47 n LEU 372 Ca 0.01 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.79 1r47 n LEU 372 Cb 0.09 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.03 1r47 n LEU 372 CO 0.05 0.00 1.72 0.61 -1.11 0.00 0.00 177.39 178.67 1r47 n GLY 373 N 3.73 2.42 2.07 -3.96 0.00 -1.25 -4.13 105.19 104.07 1r47 n GLY 373 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1r47 n GLY 373 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r47 n LYS 374 N 4.63 -1.43 0.00 1.61 4.81 -1.26 0.23 118.16 126.74 1r47 n LYS 374 Ca 0.24 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1r47 n LYS 374 Cb 0.07 -4.70 0.00 0.00 0.02 0.00 0.00 35.03 30.42 1r47 n LYS 374 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r47 n GLY 375 N -0.04 2.99 0.00 3.14 0.00 -1.22 -4.95 105.19 105.11 1r47 n GLY 375 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1r47 n GLY 375 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1r47 n VAL 376 N -0.10 0.00 -1.70 1.61 0.31 0.14 -4.50 118.33 114.09 1r47 n VAL 376 Ca 0.00 0.69 -0.58 0.00 -0.01 0.00 0.00 64.34 64.44 1r47 n VAL 376 Cb 0.00 -1.42 -0.07 0.00 -0.91 0.00 0.00 33.84 31.43 1r47 n VAL 376 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r47 n ALA 377 N -0.86 -0.16 0.00 3.52 0.00 -1.17 -0.84 120.51 121.00 1r47 n ALA 377 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1r47 n ALA 377 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1r47 n ALA 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r47 s ASN 379 N -2.00 4.11 -0.15 0.00 2.47 -0.02 -1.96 114.94 117.39 1r47 s ASN 379 Ca 0.00 -1.60 -0.21 0.00 0.42 0.00 0.00 52.86 51.46 1r47 s ASN 379 Cb 0.00 -1.13 -0.24 0.00 -1.45 0.00 0.00 41.25 38.42 1r47 s ASN 379 CO 0.00 -0.35 0.51 1.55 -3.72 0.00 0.00 177.10 175.08 1r47 h PRO 380 N 7.94 0.10 -5.95 0.43 0.13 -1.88 -3.46 132.00 129.31 1r47 h PRO 380 Ca -0.12 -0.18 -0.61 0.00 -0.87 0.00 0.00 66.00 64.21 1r47 h PRO 380 Cb 1.04 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1r47 h PRO 380 CO 0.46 1.08 -0.42 0.00 -0.23 0.00 0.00 178.00 178.90 1r47 s ALA 381 N -2.37 3.90 -0.10 -0.56 0.00 -1.16 -0.16 121.76 121.30 1r47 s ALA 381 Ca -0.22 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1r47 s ALA 381 Cb 0.03 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.19 1r47 s ALA 381 CO 0.69 0.72 -0.07 0.00 0.00 0.00 0.00 175.76 177.10 1r47 s PHE 383 N 1.52 3.22 -0.21 0.00 5.36 -0.66 0.13 117.98 127.35 1r47 s PHE 383 Ca 0.01 -0.67 -0.07 0.00 -0.96 0.00 0.00 56.93 55.24 1r47 s PHE 383 Cb -0.13 -2.46 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 1r47 s PHE 383 CO -0.06 -0.54 0.05 0.42 -1.46 0.00 0.00 175.22 173.63 1r47 s ILE 384 N 1.62 4.40 -0.24 3.12 1.01 -1.22 -2.11 121.20 127.78 1r47 s ILE 384 Ca 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1r47 s ILE 384 Cb -0.18 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.33 1r47 s ILE 384 CO 0.08 0.41 -0.12 0.42 0.00 0.00 0.00 174.94 175.73 1r47 s THR 385 N 0.98 2.05 0.02 2.92 -4.23 -1.06 -2.17 115.64 114.15 1r47 s THR 385 Ca 0.03 -1.46 -0.35 0.00 -1.18 0.00 0.00 61.69 58.74 1r47 s THR 385 Cb -0.14 -2.13 -0.14 0.00 1.34 0.00 0.00 72.50 71.43 1r47 s THR 385 CO 0.03 0.06 1.68 1.67 -0.54 0.00 0.00 174.62 177.51 1r47 n GLN 386 N 4.50 1.96 0.00 3.99 7.27 0.11 -3.42 117.38 131.79 1r47 n GLN 386 Ca -0.15 0.71 0.08 0.00 0.07 0.00 0.00 57.00 57.72 1r47 n GLN 386 Cb 0.44 -2.49 0.02 0.00 2.41 0.00 0.00 30.24 30.62 1r47 n GLN 386 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1r47 n LEU 387 N 4.68 1.91 -3.60 1.69 7.94 0.18 -0.21 117.00 129.59 1r47 n LEU 387 Ca 0.20 -0.84 -0.08 0.00 -1.11 0.00 0.00 56.01 54.18 1r47 n LEU 387 Cb 0.27 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.17 1r47 n LEU 387 CO 0.68 0.35 0.90 -0.76 -1.11 0.00 0.00 177.39 177.45 1r47 s LEU 388 N -1.85 -0.27 -0.01 -1.96 1.02 -1.03 -3.77 118.68 110.81 1r47 s LEU 388 Ca 0.16 0.31 0.01 0.00 0.02 0.00 0.00 54.13 54.63 1r47 s LEU 388 Cb 0.14 1.61 0.06 0.00 0.02 0.00 0.00 46.19 48.02 1r47 s LEU 388 CO 0.35 -0.23 0.79 -0.81 0.02 0.00 0.00 176.35 176.46 1r47 n PRO 389 N 0.74 1.25 -0.47 1.29 -0.04 -1.26 -2.00 135.00 134.51 1r47 n PRO 389 Ca -0.07 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1r47 n PRO 389 Cb 0.58 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1r47 n PRO 389 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1r47 n VAL 390 N -0.11 0.00 -2.31 0.52 0.24 -1.26 -5.07 118.33 110.34 1r47 n VAL 390 Ca 0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.17 1r47 n VAL 390 Cb 0.21 0.40 0.01 0.00 -1.47 0.00 0.00 33.84 32.99 1r47 n VAL 390 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1r47 n LYS 391 N 0.00 -0.77 -4.22 7.34 4.81 -1.18 -4.94 118.16 119.20 1r47 n LYS 391 Ca 0.00 0.53 -0.24 0.00 -0.87 0.00 0.00 58.31 57.72 1r47 n LYS 391 Cb 0.64 -0.86 -0.07 0.00 0.02 0.00 0.00 35.03 34.76 1r47 n LYS 391 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1r47 s ARG 392 N -1.59 2.46 -0.82 1.64 3.52 0.71 -4.93 118.95 119.94 1r47 s ARG 392 Ca 0.12 -1.21 -0.14 0.00 -0.13 0.00 0.00 55.73 54.37 1r47 s ARG 392 Cb -0.01 -2.32 0.21 0.00 -1.56 0.00 0.00 34.95 31.26 1r47 s ARG 392 CO 0.37 0.41 0.78 0.15 -0.81 0.00 0.00 175.30 176.20 1r47 s LYS 393 N -3.38 3.58 0.74 5.12 1.02 -1.26 0.08 119.74 125.64 1r47 s LYS 393 Ca 0.30 -2.38 -0.11 0.00 0.02 0.00 0.00 55.97 53.80 1r47 s LYS 393 Cb -0.08 -4.45 0.03 0.00 -0.52 0.00 0.00 37.83 32.81 1r47 s LYS 393 CO 0.20 -1.32 1.07 -0.51 -0.92 0.00 0.00 175.35 173.87 1r47 s LEU 394 N 0.39 2.97 0.00 3.17 1.43 -0.92 -4.97 118.68 120.74 1r47 s LEU 394 Ca 0.18 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1r47 s LEU 394 Cb -0.11 -4.36 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1r47 s LEU 394 CO -0.08 -1.72 0.00 0.61 0.23 0.00 0.00 176.35 175.39 1r47 n GLY 395 N -1.81 -1.93 3.83 -3.19 0.00 -1.26 -4.45 105.19 96.38 1r47 n GLY 395 Ca 0.08 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1r47 n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r47 s PHE 396 N -0.11 3.42 -0.06 1.61 0.08 -1.26 -3.45 117.98 118.21 1r47 s PHE 396 Ca 0.00 1.35 0.02 0.00 0.12 0.00 0.00 56.93 58.41 1r47 s PHE 396 Cb 0.00 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.84 1r47 s PHE 396 CO 0.00 0.10 -0.09 0.71 -0.10 0.00 0.00 175.22 175.84 1r47 s TYR 397 N -1.93 1.18 0.84 0.36 1.51 0.34 -4.92 117.35 114.74 1r47 s TYR 397 Ca 0.54 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 56.07 1r47 s TYR 397 Cb -0.11 -0.92 0.14 0.00 -0.11 0.00 0.00 41.96 40.95 1r47 s TYR 397 CO 0.17 -0.26 1.17 -1.21 -1.11 0.00 0.00 175.55 174.32 1r47 s GLU 398 N 0.83 1.38 0.07 -0.62 8.01 -1.26 0.27 118.70 127.38 1r47 s GLU 398 Ca -0.12 -0.42 -0.36 0.00 0.01 0.00 0.00 54.97 54.08 1r47 s GLU 398 Cb -0.15 -2.02 -0.19 0.00 -4.31 0.00 0.00 34.13 27.46 1r47 s GLU 398 CO 0.02 -1.85 1.58 2.35 0.01 0.00 0.00 175.26 177.36 1r47 h TRP 399 N -1.12 -1.23 -0.75 1.61 7.01 0.12 -2.59 115.95 119.00 1r47 h TRP 399 Ca -0.43 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 60.71 1r47 h TRP 399 Cb 1.27 0.43 -0.14 0.00 -2.10 0.00 0.00 29.16 28.63 1r47 h TRP 399 CO -0.42 -0.71 -0.09 1.79 -2.79 0.00 0.00 178.44 176.22 1r47 h THR 400 N -1.18 0.30 0.00 2.65 1.35 -1.86 -2.84 112.91 111.33 1r47 h THR 400 Ca -0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1r47 h THR 400 Cb 0.94 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1r47 h THR 400 CO 0.13 0.01 0.00 -1.20 -0.25 0.00 0.00 175.52 174.21 1r47 n SER 401 N -5.42 0.00 -4.15 5.36 7.64 -0.98 -4.58 113.62 111.49 1r47 n SER 401 Ca 0.12 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 1r47 n SER 401 Cb 0.43 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.48 1r47 n SER 401 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1r47 s ARG 402 N 0.00 2.84 -0.21 1.43 3.52 -1.26 -2.05 118.95 123.23 1r47 s ARG 402 Ca 0.00 -0.95 -0.13 0.00 -0.13 0.00 0.00 55.73 54.52 1r47 s ARG 402 Cb 0.00 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 1r47 s ARG 402 CO 0.00 -0.33 0.29 -1.17 -0.81 0.00 0.00 175.30 173.27 1r47 s LEU 403 N 1.29 4.16 0.04 -0.88 2.96 -0.75 -4.92 118.68 120.57 1r47 s LEU 403 Ca 0.01 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.37 1r47 s LEU 403 Cb -0.16 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1r47 s LEU 403 CO -0.08 0.02 -0.25 -0.60 -1.32 0.00 0.00 176.35 174.12 1r47 s ARG 404 N 1.02 1.71 -0.08 1.98 3.52 -1.26 -0.87 118.95 124.97 1r47 s ARG 404 Ca 0.14 -1.04 -0.30 0.00 -0.13 0.00 0.00 55.73 54.40 1r47 s ARG 404 Cb -0.14 -1.85 0.10 0.00 -1.56 0.00 0.00 34.95 31.50 1r47 s ARG 404 CO 0.05 0.48 0.82 0.45 -0.81 0.00 0.00 175.30 176.29 1r47 s SER 405 N -1.15 -0.52 0.00 -2.12 0.15 0.27 -4.99 113.70 105.34 1r47 s SER 405 Ca 0.10 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.19 1r47 s SER 405 Cb -0.10 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.61 1r47 s SER 405 CO 0.02 -0.53 0.24 -1.00 1.20 0.00 0.00 173.24 173.17 1r47 s HIS 406 N -1.47 3.57 -0.06 3.44 3.76 -1.26 0.49 115.29 123.75 1r47 s HIS 406 Ca -0.05 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.38 1r47 s HIS 406 Cb -0.00 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.76 1r47 s HIS 406 CO 0.04 0.62 -0.08 0.42 -0.85 0.00 0.00 174.74 174.89 1r47 s ILE 407 N -1.31 0.87 0.64 0.60 1.01 0.36 -4.94 121.20 118.43 1r47 s ILE 407 Ca 0.27 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1r47 s ILE 407 Cb -0.13 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1r47 s ILE 407 CO 0.17 0.30 1.13 0.20 0.00 0.00 0.00 174.94 176.75 1r47 s ASN 408 N 0.95 5.14 0.22 3.58 0.01 -1.26 -2.31 114.94 121.27 1r47 s ASN 408 Ca -0.10 2.12 -0.32 0.00 -0.71 0.00 0.00 52.86 53.85 1r47 s ASN 408 Cb -0.15 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.82 1r47 s ASN 408 CO 0.00 -1.61 1.54 -2.65 -1.51 0.00 0.00 177.10 172.87 1r47 n PRO 409 N -2.12 2.29 -0.77 -0.60 -0.02 -1.26 -0.82 135.00 131.69 1r47 n PRO 409 Ca 0.11 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1r47 n PRO 409 Cb 0.51 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1r47 n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1r47 n THR 410 N 2.74 0.00 -2.48 3.45 -2.24 0.17 -4.82 114.28 111.10 1r47 n THR 410 Ca 0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1r47 n THR 410 Cb 0.32 -0.69 0.04 0.00 -2.10 0.00 0.00 70.33 67.90 1r47 n THR 410 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r47 n GLY 411 N -0.66 0.89 3.35 3.38 0.00 0.00 -3.96 105.19 108.19 1r47 n GLY 411 Ca 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 1r47 n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r47 s THR 412 N -0.99 -0.00 -0.30 2.61 2.01 -1.26 -2.50 115.64 115.21 1r47 s THR 412 Ca 0.26 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 1r47 s THR 412 Cb -0.02 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1r47 s THR 412 CO 0.17 0.01 0.06 -0.69 -0.69 0.00 0.00 174.62 173.47 1r47 s VAL 413 N 0.51 3.66 -0.19 3.82 1.01 -0.23 -4.12 120.40 124.86 1r47 s VAL 413 Ca -0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1r47 s VAL 413 Cb -0.04 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1r47 s VAL 413 CO -0.03 0.03 0.34 -0.22 0.00 0.00 0.00 175.10 175.22 1r47 s LEU 414 N 1.43 4.19 0.20 3.92 2.96 -0.85 -1.82 118.68 128.71 1r47 s LEU 414 Ca 0.01 0.49 0.11 0.00 -0.22 0.00 0.00 54.13 54.52 1r47 s LEU 414 Cb -0.18 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1r47 s LEU 414 CO 0.01 -0.00 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.05 1r47 s LEU 415 N 0.98 2.45 -0.09 -0.68 1.43 0.14 -0.65 118.68 122.27 1r47 s LEU 415 Ca 0.17 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1r47 s LEU 415 Cb -0.14 -1.14 0.03 0.00 0.03 0.00 0.00 46.19 44.97 1r47 s LEU 415 CO 0.06 0.10 -0.04 -1.58 0.23 0.00 0.00 176.35 175.12 1r47 s GLN 416 N -2.79 1.08 -0.16 1.70 0.74 -1.22 0.48 119.66 119.48 1r47 s GLN 416 Ca 0.22 -0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.48 1r47 s GLN 416 Cb -0.07 -1.24 -0.03 0.00 1.10 0.00 0.00 33.01 32.77 1r47 s GLN 416 CO 0.10 -0.24 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.08 1r47 s LEU 417 N 1.67 3.44 0.13 3.68 1.02 0.19 -2.58 118.68 126.23 1r47 s LEU 417 Ca 0.02 -0.05 0.10 0.00 0.02 0.00 0.00 54.13 54.22 1r47 s LEU 417 Cb -0.13 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 1r47 s LEU 417 CO -0.05 0.18 -0.22 -0.70 0.02 0.00 0.00 176.35 175.58 1r47 s GLU 418 N 0.31 1.62 -0.04 1.70 2.12 -0.90 -0.07 118.70 123.45 1r47 s GLU 418 Ca -0.01 -1.27 -0.13 0.00 0.36 0.00 0.00 54.97 53.92 1r47 s GLU 418 Cb -0.13 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.19 1r47 s GLU 418 CO 0.02 0.46 0.33 1.21 -0.54 0.00 0.00 175.26 176.75 1r47 s ASN 419 N -2.16 6.68 0.00 -1.70 3.84 -1.24 -1.65 114.94 118.71 1r47 s ASN 419 Ca 0.17 0.81 0.00 0.00 0.21 0.00 0.00 52.86 54.05 1r47 s ASN 419 Cb -0.10 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 1r47 s ASN 419 CO 0.09 0.33 0.00 1.07 -2.79 0.00 0.00 177.10 175.80 1r47 n THR 420 N 1.96 0.00 -2.79 -5.21 5.66 -1.07 -4.98 114.28 107.85 1r47 n THR 420 Ca -0.15 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.75 1r47 n THR 420 Cb 0.53 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.36 1r47 n THR 420 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1r47 n MET 421 N 0.00 0.83 0.00 1.09 0.00 -1.26 -3.01 117.12 114.77 1r47 n MET 421 Ca 0.00 -1.94 0.16 0.00 0.00 0.00 0.00 57.70 55.92 1r47 n MET 421 Cb 0.00 -1.36 0.91 0.00 0.00 0.00 0.00 33.22 32.77 1r47 n MET 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97