#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivy s ASN 21 N 0.00 6.64 0.07 3.54 2.47 -1.26 -4.91 114.94 121.48 3ivy s ASN 21 Ca 0.00 -1.88 0.04 0.00 0.42 0.00 0.00 52.86 51.44 3ivy s ASN 21 Cb 0.00 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.23 3ivy s ASN 21 CO 0.00 -1.32 -0.11 -0.76 -3.72 0.00 0.00 177.10 171.20 3ivy s LEU 22 N 4.26 2.30 0.60 3.21 1.43 -1.26 -5.02 118.68 124.20 3ivy s LEU 22 Ca 0.46 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 3ivy s LEU 22 Cb 0.00 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 3ivy s LEU 22 CO -0.05 -0.17 1.25 -2.65 0.23 0.00 0.00 176.35 174.96 3ivy n PRO 23 N 1.16 1.26 -1.67 1.29 -0.02 -1.26 -4.91 135.00 130.86 3ivy n PRO 23 Ca -0.20 0.48 -0.46 0.00 -2.02 0.00 0.00 63.50 61.30 3ivy n PRO 23 Cb 0.55 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 3ivy n PRO 23 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ivy n PRO 24 N -1.43 2.21 -0.56 0.52 -0.04 -1.26 -2.05 135.00 132.40 3ivy n PRO 24 Ca 0.14 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 3ivy n PRO 24 Cb 0.47 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3ivy n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ivy n GLY 25 N 3.50 1.26 3.71 0.55 0.00 -1.26 -5.00 105.19 107.95 3ivy n GLY 25 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ivy n GLY 25 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ivy n PHE 26 N -2.00 2.31 -3.82 1.61 7.35 -0.87 -4.99 117.46 117.05 3ivy n PHE 26 Ca 0.00 0.53 -0.22 0.00 -0.76 0.00 0.00 57.45 56.99 3ivy n PHE 26 Cb 0.00 -2.42 -0.17 0.00 0.35 0.00 0.00 39.48 37.24 3ivy n PHE 26 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3ivy s ASP 27 N -0.35 1.49 0.00 -2.13 -1.08 -1.26 -4.82 116.67 108.52 3ivy s ASP 27 Ca 0.57 -0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.68 3ivy s ASP 27 Cb -0.54 -0.44 0.88 0.00 -1.46 0.00 0.00 42.92 41.36 3ivy s ASP 27 CO 0.61 -0.18 1.53 0.49 0.52 0.00 0.00 175.17 178.15 3ivy n PHE 28 N 5.00 0.00 0.20 -5.34 3.72 -1.26 -1.37 117.46 118.41 3ivy n PHE 28 Ca -0.10 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.39 3ivy n PHE 28 Cb 0.50 -0.30 0.16 0.00 -0.94 0.00 0.00 39.48 38.91 3ivy n PHE 28 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ivy n THR 29 N -1.30 0.53 -1.95 4.37 -2.24 -1.26 -5.00 114.28 107.43 3ivy n THR 29 Ca 0.08 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 3ivy n THR 29 Cb 0.14 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 3ivy n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ivy s ASP 30 N -1.23 6.52 0.57 3.42 2.15 -0.47 -4.32 116.67 123.31 3ivy s ASP 30 Ca 0.29 2.18 0.33 0.00 0.43 0.00 0.00 52.55 55.79 3ivy s ASP 30 Cb 0.17 -2.53 1.72 0.00 -0.30 0.00 0.00 42.92 41.98 3ivy s ASP 30 CO 0.24 -1.06 2.15 -0.65 -0.17 0.00 0.00 175.17 175.68 3ivy h PRO 31 N 10.22 0.00 0.00 4.34 0.11 -1.91 -1.46 132.00 143.30 3ivy h PRO 31 Ca -0.40 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 3ivy h PRO 31 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ivy h PRO 31 CO 0.96 0.06 -0.13 0.00 -0.21 0.00 0.00 178.00 178.67 3ivy h ALA 32 N 1.94 1.57 -0.00 -0.75 0.00 -1.91 -1.38 119.26 118.73 3ivy h ALA 32 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ivy h ALA 32 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ivy h ALA 32 CO 0.01 0.17 -0.02 0.82 0.00 0.00 0.00 179.25 180.22 3ivy h ILE 33 N 0.00 1.55 0.00 0.00 2.04 -1.60 -3.32 117.51 116.18 3ivy h ILE 33 Ca -0.00 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.16 3ivy h ILE 33 Cb 0.27 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3ivy h ILE 33 CO 0.02 0.43 -0.19 1.88 0.00 0.00 0.00 178.15 180.29 3ivy h TYR 34 N -0.67 0.00 -0.10 1.37 0.05 -1.50 0.41 116.97 116.53 3ivy h TYR 34 Ca -0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 3ivy h TYR 34 Cb 0.72 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 3ivy h TYR 34 CO 0.17 0.19 0.08 0.00 -1.05 0.00 0.00 178.16 177.55 3ivy h ALA 35 N 1.81 2.04 0.00 3.88 0.00 -1.36 -3.28 119.26 122.34 3ivy h ALA 35 Ca -0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3ivy h ALA 35 Cb 0.56 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3ivy h ALA 35 CO 0.02 -0.13 -1.92 -1.91 0.00 0.00 0.00 179.25 175.31 3ivy n GLU 36 N -4.42 1.34 -3.65 0.00 4.07 -0.16 -4.35 120.64 113.47 3ivy n GLU 36 Ca -0.01 0.03 -0.04 0.00 -0.06 0.00 0.00 57.16 57.08 3ivy n GLU 36 Cb 0.19 -1.34 -0.01 0.00 -0.06 0.00 0.00 31.44 30.22 3ivy n GLU 36 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 3ivy s ARG 37 N -2.33 0.93 0.06 5.31 1.70 -0.04 -4.97 118.95 119.61 3ivy s ARG 37 Ca -0.12 -0.46 -0.19 0.00 -0.47 0.00 0.00 55.73 54.49 3ivy s ARG 37 Cb 0.05 0.35 -0.06 0.00 -0.57 0.00 0.00 34.95 34.71 3ivy s ARG 37 CO 0.49 -0.42 0.56 -0.51 -1.08 0.00 0.00 175.30 174.33 3ivy s LEU 38 N -2.75 4.51 -1.32 -1.89 1.43 -1.26 -3.47 118.68 113.93 3ivy s LEU 38 Ca 0.10 1.22 -0.08 0.00 -1.03 0.00 0.00 54.13 54.35 3ivy s LEU 38 Cb -0.00 -2.87 0.13 0.00 0.03 0.00 0.00 46.19 43.48 3ivy s LEU 38 CO -0.03 0.26 2.14 -0.81 0.23 0.00 0.00 176.35 178.15 3ivy n PRO 39 N 1.82 4.02 -0.12 1.29 -0.04 -1.26 -4.70 135.00 136.01 3ivy n PRO 39 Ca -0.10 -3.43 -0.10 0.00 -0.04 0.00 0.00 63.50 59.83 3ivy n PRO 39 Cb 0.51 -2.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.15 3ivy n PRO 39 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ivy h VAL 40 N 3.24 1.20 -0.65 0.52 2.07 -1.99 -1.48 116.25 119.17 3ivy h VAL 40 Ca 0.55 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3ivy h VAL 40 Cb 0.48 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3ivy h VAL 40 CO 1.58 0.22 0.13 0.00 0.02 0.00 0.00 177.57 179.52 3ivy h ALA 41 N 0.96 1.02 -0.09 1.67 0.00 -2.00 -0.69 119.26 120.13 3ivy h ALA 41 Ca 0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3ivy h ALA 41 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ivy h ALA 41 CO -0.01 0.63 -0.47 0.93 0.00 0.00 0.00 179.25 180.34 3ivy h GLU 42 N 0.98 0.23 -0.30 0.00 3.07 -1.88 -1.55 114.58 115.13 3ivy h GLU 42 Ca 0.20 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.85 3ivy h GLU 42 Cb 0.38 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3ivy h GLU 42 CO 0.01 0.66 -0.16 0.74 -1.40 0.00 0.00 179.01 178.85 3ivy h PHE 43 N 0.19 0.75 -0.55 4.33 0.04 -1.07 -2.08 116.94 118.54 3ivy h PHE 43 Ca 0.01 -0.19 0.06 0.00 2.80 0.00 0.00 57.97 60.65 3ivy h PHE 43 Cb 0.91 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 3ivy h PHE 43 CO 0.02 0.88 0.37 0.00 -0.60 0.00 0.00 178.31 178.98 3ivy h ALA 44 N 0.75 1.86 -0.37 2.45 0.00 -0.73 -0.73 119.26 122.49 3ivy h ALA 44 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3ivy h ALA 44 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ivy h ALA 44 CO 0.05 0.05 -0.25 1.49 0.00 0.00 0.00 179.25 180.59 3ivy h GLU 45 N 0.52 0.82 -0.29 0.00 4.57 -0.94 -2.14 114.58 117.12 3ivy h GLU 45 Ca 0.24 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 3ivy h GLU 45 Cb 0.28 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3ivy h GLU 45 CO -0.07 1.02 0.11 -0.07 -1.18 0.00 0.00 179.01 178.83 3ivy h LEU 46 N 0.61 0.40 -1.59 1.64 3.38 -0.79 0.96 115.31 119.92 3ivy h LEU 46 Ca 0.07 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ivy h LEU 46 Cb 0.82 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3ivy h LEU 46 CO 0.07 0.46 0.34 0.03 0.09 0.00 0.00 178.44 179.43 3ivy h ARG 47 N 0.32 0.51 0.02 1.13 3.08 -0.88 0.15 114.38 118.71 3ivy h ARG 47 Ca 0.10 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3ivy h ARG 47 Cb 0.19 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.13 3ivy h ARG 47 CO -0.01 0.34 -0.22 1.03 -1.07 0.00 0.00 179.97 180.04 3ivy h SER 48 N 0.52 0.15 0.00 7.04 0.87 -1.11 -3.40 113.55 117.62 3ivy h SER 48 Ca 0.21 -0.90 -0.13 0.00 -1.23 0.00 0.00 61.79 59.74 3ivy h SER 48 Cb 0.18 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3ivy h SER 48 CO -0.05 1.03 -1.91 0.00 -0.53 0.00 0.00 176.83 175.37 3ivy n ALA 49 N -2.58 2.15 -2.73 6.23 0.00 0.31 -4.87 120.51 119.01 3ivy n ALA 49 Ca -0.10 -0.69 -0.07 0.00 0.00 0.00 0.00 53.44 52.57 3ivy n ALA 49 Cb 0.53 -0.34 0.05 0.00 0.00 0.00 0.00 19.45 19.70 3ivy n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ivy n ALA 50 N -2.31 -2.02 0.28 0.00 0.00 0.42 -4.74 120.51 112.13 3ivy n ALA 50 Ca -0.14 -1.08 0.14 0.00 0.00 0.00 0.00 53.44 52.37 3ivy n ALA 50 Cb 0.70 -1.84 0.79 0.00 0.00 0.00 0.00 19.45 19.10 3ivy n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ivy h PRO 51 N 3.87 0.00 -5.01 0.00 0.13 -1.48 -3.32 132.00 126.19 3ivy h PRO 51 Ca -0.15 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.31 3ivy h PRO 51 Cb 1.08 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.88 3ivy h PRO 51 CO 0.17 0.09 -0.81 0.42 -0.23 0.00 0.00 178.00 177.64 3ivy s ILE 52 N -4.18 2.43 -0.01 -3.56 1.01 -1.26 -2.62 121.20 113.00 3ivy s ILE 52 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3ivy s ILE 52 Cb 0.13 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.50 3ivy s ILE 52 CO 0.56 0.42 -0.01 0.86 0.00 0.00 0.00 174.94 176.77 3ivy s TRP 53 N 1.31 0.21 -0.23 3.97 -0.00 -1.00 -4.95 118.94 118.26 3ivy s TRP 53 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 56.10 55.84 3ivy s TRP 53 Cb -0.14 -0.25 0.00 0.00 -0.00 0.00 0.00 33.47 33.08 3ivy s TRP 53 CO -0.09 -0.06 1.18 -0.46 -0.00 0.00 0.00 176.95 177.52 3ivy s TRP 54 N 0.51 2.99 -0.70 5.86 -0.11 -1.26 -0.47 118.94 125.77 3ivy s TRP 54 Ca -0.05 1.13 -0.16 0.00 1.22 0.00 0.00 56.10 58.24 3ivy s TRP 54 Cb -0.07 -3.55 0.16 0.00 -1.50 0.00 0.00 33.47 28.51 3ivy s TRP 54 CO -0.01 -1.24 0.71 1.21 -4.62 0.00 0.00 176.95 173.00 3ivy s ASN 55 N 1.88 6.45 0.49 5.86 3.84 0.51 -4.95 114.94 129.01 3ivy s ASN 55 Ca 0.51 -2.08 -0.22 0.00 0.21 0.00 0.00 52.86 51.28 3ivy s ASN 55 Cb -0.17 -2.25 -0.07 0.00 -0.55 0.00 0.00 41.25 38.21 3ivy s ASN 55 CO 0.14 -0.83 1.20 -0.83 -2.79 0.00 0.00 177.10 173.99 3ivy s GLY 56 N 3.07 2.79 -0.04 1.21 0.00 -1.26 -2.15 107.32 110.94 3ivy s GLY 56 Ca 0.13 1.00 0.02 0.00 0.00 0.00 0.00 44.72 45.88 3ivy s GLY 56 CO -0.02 1.46 -0.10 1.20 0.00 0.00 0.00 173.10 175.64 3ivy s GLN 57 N -2.80 1.25 0.64 2.90 -0.21 -0.00 -4.89 119.66 116.56 3ivy s GLN 57 Ca 0.66 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 55.59 3ivy s GLN 57 Cb -0.30 -1.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.57 3ivy s GLN 57 CO 0.36 0.07 1.04 -0.51 -2.12 0.00 0.00 175.29 174.13 3ivy s ASP 58 N 0.44 5.95 0.28 5.90 1.01 -1.26 -4.42 116.67 124.58 3ivy s ASP 58 Ca -0.08 1.49 -0.29 0.00 0.71 0.00 0.00 52.55 54.38 3ivy s ASP 58 Cb -0.12 -2.48 -0.13 0.00 1.01 0.00 0.00 42.92 41.20 3ivy s ASP 58 CO 0.02 -1.06 1.24 -2.65 0.21 0.00 0.00 175.17 172.93 3ivy n PRO 59 N -2.84 1.82 -0.90 8.23 -0.02 -1.26 -1.39 135.00 138.63 3ivy n PRO 59 Ca 0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3ivy n PRO 59 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3ivy n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ivy n GLY 60 N 1.41 0.84 0.53 -1.23 0.00 -1.26 -4.84 105.19 100.64 3ivy n GLY 60 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3ivy n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ivy n LYS 61 N -2.00 1.24 -0.67 1.61 5.02 -0.49 -4.77 118.16 118.10 3ivy n LYS 61 Ca 0.00 -2.82 0.08 0.00 -2.02 0.00 0.00 58.31 53.55 3ivy n LYS 61 Cb 0.00 -1.35 0.34 0.00 -0.02 0.00 0.00 35.03 34.00 3ivy n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ivy n GLY 62 N -0.98 3.21 3.11 0.72 0.00 -1.25 -4.69 105.19 105.31 3ivy n GLY 62 Ca 0.16 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 3ivy n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ivy n GLY 63 N 0.44 -0.53 0.00 -0.02 0.00 -1.26 -2.19 105.19 101.63 3ivy n GLY 63 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3ivy n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ivy n GLY 64 N -1.58 0.21 3.57 -0.02 0.00 -1.25 -0.57 105.19 105.55 3ivy n GLY 64 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3ivy n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ivy s PHE 65 N -2.00 2.74 -0.17 1.61 0.08 -0.93 -4.88 117.98 114.44 3ivy s PHE 65 Ca 0.00 -0.15 0.16 0.00 0.12 0.00 0.00 56.93 57.07 3ivy s PHE 65 Cb 0.00 -1.47 0.44 0.00 -0.57 0.00 0.00 43.02 41.42 3ivy s PHE 65 CO 0.00 0.40 1.19 0.72 -0.10 0.00 0.00 175.22 177.42 3ivy n HIS 66 N 0.96 0.64 0.66 0.36 8.25 -1.26 -4.16 115.22 120.67 3ivy n HIS 66 Ca -0.14 -1.41 0.08 0.00 -0.26 0.00 0.00 57.72 55.99 3ivy n HIS 66 Cb 0.52 -0.23 0.07 0.00 1.12 0.00 0.00 29.99 31.47 3ivy n HIS 66 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3ivy n ASP 67 N -0.50 2.37 0.00 0.41 5.75 -1.26 -4.97 116.55 118.35 3ivy n ASP 67 Ca 0.18 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 3ivy n ASP 67 Cb 0.89 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 3ivy n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ivy n GLY 68 N 0.91 0.26 0.00 6.12 0.00 -1.26 -4.96 105.19 106.26 3ivy n GLY 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ivy n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ivy n GLY 69 N -2.00 0.62 3.41 -0.02 0.00 -1.26 -0.82 105.19 105.12 3ivy n GLY 69 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 3ivy n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ivy s PHE 70 N -2.71 -0.36 -0.19 1.61 -0.12 -0.91 -4.58 117.98 110.71 3ivy s PHE 70 Ca 0.00 0.08 -0.24 0.00 -0.05 0.00 0.00 56.93 56.72 3ivy s PHE 70 Cb 0.00 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 3ivy s PHE 70 CO 0.00 -0.82 0.78 -1.58 -0.05 0.00 0.00 175.22 173.56 3ivy s TRP 71 N -3.79 3.38 -0.09 3.49 0.52 -0.21 -0.36 118.94 121.88 3ivy s TRP 71 Ca 0.03 1.15 -0.29 0.00 0.02 0.00 0.00 56.10 57.01 3ivy s TRP 71 Cb -0.00 -2.97 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 3ivy s TRP 71 CO -0.11 -0.27 0.95 0.00 0.02 0.00 0.00 176.95 177.55 3ivy s ALA 72 N 2.27 3.36 -0.23 0.98 0.00 0.38 -0.72 121.76 127.80 3ivy s ALA 72 Ca 0.35 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 3ivy s ALA 72 Cb -0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3ivy s ALA 72 CO 0.11 -0.49 0.01 0.42 0.00 0.00 0.00 175.76 175.81 3ivy s ILE 73 N 1.72 3.86 -0.04 0.00 -1.09 0.06 -2.37 121.20 123.33 3ivy s ILE 73 Ca 0.47 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.57 3ivy s ILE 73 Cb -0.19 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 3ivy s ILE 73 CO 0.19 0.38 0.05 0.35 -1.23 0.00 0.00 174.94 174.68 3ivy n THR 74 N 4.82 0.00 -4.06 2.92 -2.24 -1.08 -1.33 114.28 113.31 3ivy n THR 74 Ca -0.17 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 60.93 3ivy n THR 74 Cb 0.51 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 3ivy n THR 74 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ivy s LYS 75 N -1.38 3.12 0.19 -0.78 -0.14 -1.26 -2.93 119.74 116.56 3ivy s LYS 75 Ca 0.00 -0.47 -0.12 0.00 -1.36 0.00 0.00 55.97 54.02 3ivy s LYS 75 Cb 0.01 -2.89 0.11 0.00 -1.68 0.00 0.00 37.83 33.38 3ivy s LYS 75 CO 0.05 0.65 1.86 1.25 -0.76 0.00 0.00 175.35 178.40 3ivy h LEU 76 N 3.99 0.75 -1.18 3.17 5.85 -1.90 -1.38 115.31 124.62 3ivy h LEU 76 Ca -0.49 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 3ivy h LEU 76 Cb 1.18 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3ivy h LEU 76 CO 0.64 0.55 -0.18 0.78 -0.34 0.00 0.00 178.44 179.89 3ivy h ASN 77 N 0.88 0.34 -0.33 1.25 2.35 -1.95 -1.42 115.58 116.69 3ivy h ASN 77 Ca 0.24 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 3ivy h ASN 77 Cb -0.09 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 3ivy h ASN 77 CO -0.05 0.54 -0.43 0.44 -1.65 0.00 0.00 177.43 176.28 3ivy h ASP 78 N 0.32 0.96 -0.77 5.81 3.32 -1.87 -0.61 116.42 123.58 3ivy h ASP 78 Ca 0.06 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.64 3ivy h ASP 78 Cb 0.51 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 3ivy h ASP 78 CO 0.03 1.26 0.49 0.58 -1.72 0.00 0.00 179.24 179.89 3ivy h VAL 79 N 0.68 1.12 -0.69 -1.35 2.07 -0.88 -1.31 116.25 115.89 3ivy h VAL 79 Ca 0.04 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3ivy h VAL 79 Cb 1.03 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3ivy h VAL 79 CO 0.10 0.18 0.18 0.11 0.02 0.00 0.00 177.57 178.16 3ivy h LYS 80 N 0.96 1.08 -0.13 1.57 1.57 -1.05 -1.17 116.57 119.41 3ivy h LYS 80 Ca 0.31 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3ivy h LYS 80 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3ivy h LYS 80 CO -0.11 0.95 0.04 1.49 -0.57 0.00 0.00 179.45 181.25 3ivy h GLU 81 N 1.03 0.20 -0.58 3.15 4.81 -0.78 -1.08 114.58 121.32 3ivy h GLU 81 Ca 0.22 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3ivy h GLU 81 Cb 0.34 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3ivy h GLU 81 CO -0.00 0.33 0.39 0.82 -0.73 0.00 0.00 179.01 179.82 3ivy h ILE 82 N 0.03 1.15 -0.68 2.32 2.04 -1.19 -1.95 117.51 119.23 3ivy h ILE 82 Ca 0.04 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3ivy h ILE 82 Cb 0.21 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3ivy h ILE 82 CO -0.00 0.14 0.34 0.28 0.00 0.00 0.00 178.15 178.92 3ivy h SER 83 N 0.79 0.85 0.50 1.72 0.02 -0.91 -2.88 113.55 113.64 3ivy h SER 83 Ca 0.21 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 3ivy h SER 83 Cb -0.09 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 3ivy h SER 83 CO -0.05 0.71 -0.73 0.03 -1.14 0.00 0.00 176.83 175.66 3ivy h ARG 84 N 0.95 0.19 -2.61 3.45 3.08 -1.03 -3.35 114.38 115.06 3ivy h ARG 84 Ca 0.24 -0.16 -0.71 0.00 0.07 0.00 0.00 59.98 59.41 3ivy h ARG 84 Cb 0.07 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.04 3ivy h ARG 84 CO -0.03 0.83 2.42 0.72 -1.07 0.00 0.00 179.97 182.84 3ivy n HIS 85 N -3.76 2.50 0.61 3.04 8.25 -0.75 -4.69 115.22 120.41 3ivy n HIS 85 Ca -0.03 -2.79 0.11 0.00 -0.26 0.00 0.00 57.72 54.75 3ivy n HIS 85 Cb 0.70 -1.87 0.44 0.00 1.12 0.00 0.00 29.99 30.38 3ivy n HIS 85 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ivy n SER 86 N 1.86 0.27 0.25 0.41 3.41 -1.26 -0.64 113.62 117.93 3ivy n SER 86 Ca 0.63 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.91 3ivy n SER 86 Cb 0.27 -0.61 0.64 0.00 -0.26 0.00 0.00 64.21 64.25 3ivy n SER 86 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3ivy h ASP 87 N 0.00 0.00 0.00 4.04 2.03 -1.94 -3.28 116.42 117.27 3ivy h ASP 87 Ca 0.00 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 55.92 3ivy h ASP 87 Cb 0.40 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.84 3ivy h ASP 87 CO 0.00 0.15 -2.39 0.52 -1.03 0.00 0.00 179.24 176.49 3ivy n VAL 88 N -3.52 1.39 -3.56 4.15 0.31 -0.51 -4.87 118.33 111.72 3ivy n VAL 88 Ca -0.01 -0.49 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 3ivy n VAL 88 Cb 0.30 -1.48 -0.09 0.00 -0.91 0.00 0.00 33.84 31.67 3ivy n VAL 88 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ivy s PHE 89 N -2.48 3.32 0.19 3.52 0.08 0.19 -0.26 117.98 122.54 3ivy s PHE 89 Ca -0.33 -1.40 -0.24 0.00 0.12 0.00 0.00 56.93 55.08 3ivy s PHE 89 Cb 0.10 -3.00 -0.08 0.00 -0.57 0.00 0.00 43.02 39.46 3ivy s PHE 89 CO 0.53 -0.84 0.77 0.45 -0.10 0.00 0.00 175.22 176.03 3ivy s SER 90 N 2.22 7.28 -0.08 1.36 0.15 0.19 -4.48 113.70 120.34 3ivy s SER 90 Ca 0.03 1.59 0.15 0.00 0.70 0.00 0.00 55.95 58.42 3ivy s SER 90 Cb -0.23 -2.48 -0.23 0.00 -1.71 0.00 0.00 66.02 61.37 3ivy s SER 90 CO 0.03 0.14 0.49 -1.20 1.20 0.00 0.00 173.24 173.91 3ivy n SER 91 N 1.28 0.57 -0.09 5.45 7.64 -1.26 -1.07 113.62 126.14 3ivy n SER 91 Ca -0.04 0.27 -0.14 0.00 1.01 0.00 0.00 58.87 59.96 3ivy n SER 91 Cb 0.49 0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 64.02 3ivy n SER 91 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3ivy h TYR 92 N 0.00 1.07 -0.72 1.43 3.20 -1.79 -1.59 116.97 118.56 3ivy h TYR 92 Ca -0.34 -0.36 0.09 0.00 3.14 0.00 0.00 58.73 61.25 3ivy h TYR 92 Cb 2.00 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.99 3ivy h TYR 92 CO 0.00 1.18 0.38 0.93 -1.64 0.00 0.00 178.16 179.01 3ivy h GLU 93 N 0.65 0.63 0.00 1.82 4.39 -1.87 -3.10 114.58 117.09 3ivy h GLU 93 Ca 0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3ivy h GLU 93 Cb 1.08 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3ivy h GLU 93 CO 0.11 0.42 -0.06 0.09 -1.16 0.00 0.00 179.01 178.41 3ivy n ASN 94 N -4.83 1.31 -0.70 1.42 3.02 -1.26 -5.08 115.26 109.15 3ivy n ASN 94 Ca 0.11 -1.93 0.09 0.00 -0.03 0.00 0.00 54.58 52.82 3ivy n ASN 94 Cb 0.26 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 3ivy n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ivy n GLY 95 N -0.48 -1.66 0.00 7.41 0.00 -0.60 -4.72 105.19 105.14 3ivy n GLY 95 Ca 0.03 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.76 3ivy n GLY 95 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ivy n VAL 96 N -2.67 0.00 -2.52 1.61 0.24 -1.25 -4.65 118.33 109.09 3ivy n VAL 96 Ca 0.00 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 3ivy n VAL 96 Cb 0.32 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 3ivy n VAL 96 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ivy s ILE 97 N -2.45 4.38 -2.41 1.34 1.01 -1.26 -0.37 121.20 121.44 3ivy s ILE 97 Ca -0.00 1.69 0.22 0.00 0.00 0.00 0.00 60.65 62.56 3ivy s ILE 97 Cb 0.08 -4.09 0.43 0.00 0.01 0.00 0.00 42.46 38.89 3ivy s ILE 97 CO 0.48 0.00 1.48 -0.81 0.00 0.00 0.00 174.94 176.09 3ivy n PRO 98 N 5.14 2.07 -3.66 2.79 -0.04 -1.26 -4.86 135.00 135.19 3ivy n PRO 98 Ca 0.10 -1.61 -0.05 0.00 -0.04 0.00 0.00 63.50 61.90 3ivy n PRO 98 Cb 0.47 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3ivy n PRO 98 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3ivy s ARG 99 N -1.69 0.49 0.51 0.54 6.06 -1.26 -4.87 118.95 118.72 3ivy s ARG 99 Ca 0.35 1.22 0.02 0.00 -2.50 0.00 0.00 55.73 54.81 3ivy s ARG 99 Cb 0.20 0.51 -0.01 0.00 0.06 0.00 0.00 34.95 35.70 3ivy s ARG 99 CO 0.29 -0.21 0.05 -0.06 -2.50 0.00 0.00 175.30 172.87 3ivy s PHE 100 N 2.50 1.85 0.45 5.12 0.08 0.27 -4.77 117.98 123.48 3ivy s PHE 100 Ca -0.05 -0.94 -0.23 0.00 0.12 0.00 0.00 56.93 55.83 3ivy s PHE 100 Cb -0.11 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.60 3ivy s PHE 100 CO -0.16 0.16 1.02 1.63 -0.10 0.00 0.00 175.22 177.77 3ivy n LYS 101 N -1.32 1.33 0.26 0.44 5.02 -1.26 -4.28 118.16 118.35 3ivy n LYS 101 Ca -0.17 0.48 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 3ivy n LYS 101 Cb 0.67 -2.10 0.73 0.00 -0.02 0.00 0.00 35.03 34.31 3ivy n LYS 101 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3ivy h ASN 102 N 1.40 0.00 -0.56 4.39 2.35 -1.89 -1.53 115.58 119.74 3ivy h ASN 102 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3ivy h ASN 102 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.71 3ivy h ASN 102 CO 0.56 0.11 0.00 -0.90 -1.65 0.00 0.00 177.43 175.55 3ivy n ASP 103 N -3.61 5.22 -4.77 5.81 5.75 -1.26 -3.98 116.55 119.72 3ivy n ASP 103 Ca -0.02 -2.76 -0.40 0.00 -0.01 0.00 0.00 54.79 51.61 3ivy n ASP 103 Cb 0.24 -0.65 -0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3ivy n ASP 103 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3ivy s ILE 104 N -2.44 2.48 0.35 2.12 2.07 -0.58 -4.97 121.20 120.23 3ivy s ILE 104 Ca 0.51 0.44 -0.27 0.00 -1.41 0.00 0.00 60.65 59.91 3ivy s ILE 104 Cb 0.37 -3.26 -0.09 0.00 0.13 0.00 0.00 42.46 39.61 3ivy s ILE 104 CO 0.17 0.07 1.18 0.00 -1.91 0.00 0.00 174.94 174.46 3ivy s ALA 105 N -1.23 3.31 0.38 1.50 0.00 -1.26 -4.85 121.76 119.61 3ivy s ALA 105 Ca 0.56 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.61 3ivy s ALA 105 Cb -0.40 -3.39 0.79 0.00 0.00 0.00 0.00 23.12 20.12 3ivy s ALA 105 CO 0.52 -0.46 2.00 -0.09 0.00 0.00 0.00 175.76 177.73 3ivy h ARG 106 N 3.13 0.66 -0.01 0.00 9.65 -1.93 -0.09 114.38 125.79 3ivy h ARG 106 Ca -0.48 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3ivy h ARG 106 Cb 1.23 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3ivy h ARG 106 CO 0.64 0.44 0.01 0.93 2.80 0.00 0.00 179.97 184.79 3ivy h GLU 107 N 0.68 0.00 0.00 0.20 3.07 -1.99 -0.78 114.58 115.76 3ivy h GLU 107 Ca 0.25 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.03 3ivy h GLU 107 Cb 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3ivy h GLU 107 CO -0.07 0.00 -0.47 -0.44 -1.40 0.00 0.00 179.01 176.63 3ivy h ASP 108 N 0.00 0.00 -0.09 1.42 3.32 -1.39 -1.57 116.42 118.11 3ivy h ASP 108 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3ivy h ASP 108 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ivy h ASP 108 CO -0.00 0.40 -0.36 0.40 -1.72 0.00 0.00 179.24 177.96 3ivy h ILE 109 N 0.00 1.40 -0.08 0.35 2.04 -1.20 -3.36 117.51 116.65 3ivy h ILE 109 Ca -0.01 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.10 3ivy h ILE 109 Cb 1.32 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 3ivy h ILE 109 CO 0.05 0.50 -0.11 -0.33 0.00 0.00 0.00 178.15 178.26 3ivy h GLU 110 N -0.04 0.12 0.00 2.37 5.08 -0.98 -2.43 114.58 118.70 3ivy h GLU 110 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ivy h GLU 110 Cb 1.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 3ivy h GLU 110 CO 0.08 0.24 -0.05 0.28 -1.00 0.00 0.00 179.01 178.56 3ivy h VAL 111 N 0.12 0.51 0.00 3.13 2.07 -1.43 -0.85 116.25 119.80 3ivy h VAL 111 Ca 0.03 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3ivy h VAL 111 Cb 0.28 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3ivy h VAL 111 CO 0.02 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.65 3ivy n GLN 112 N -3.73 0.01 0.00 1.57 6.02 -0.92 -2.47 117.38 117.87 3ivy n GLN 112 Ca -0.03 0.39 0.06 0.00 -0.01 0.00 0.00 57.00 57.41 3ivy n GLN 112 Cb 0.14 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.23 3ivy n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ivy n ARG 113 N -1.48 0.30 -0.10 -1.09 1.74 -0.32 -2.42 116.66 113.29 3ivy n ARG 113 Ca 0.01 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 3ivy n ARG 113 Cb 0.06 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.28 3ivy n ARG 113 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3ivy n PHE 114 N -1.09 0.27 -3.92 -1.55 3.72 -1.03 -4.62 117.46 109.24 3ivy n PHE 114 Ca 0.08 -0.13 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 3ivy n PHE 114 Cb 0.05 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 3ivy n PHE 114 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3ivy s VAL 115 N -1.73 5.37 0.53 -4.37 -7.23 -1.01 -4.88 120.40 107.07 3ivy s VAL 115 Ca 0.35 -0.33 0.19 0.00 -1.81 0.00 0.00 61.98 60.38 3ivy s VAL 115 Cb 0.20 -3.58 0.28 0.00 0.56 0.00 0.00 36.38 33.84 3ivy s VAL 115 CO 0.30 0.20 2.16 -0.03 -0.31 0.00 0.00 175.10 177.42 3ivy h MET 116 N 3.33 0.00 -0.56 4.82 4.05 -1.88 -1.19 114.93 123.49 3ivy h MET 116 Ca -0.46 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.03 3ivy h MET 116 Cb 1.17 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 3ivy h MET 116 CO 0.73 0.01 0.38 1.25 0.23 0.00 0.00 176.91 179.51 3ivy h LEU 117 N 0.00 0.43 -3.83 3.39 5.85 -1.95 -2.18 115.31 117.02 3ivy h LEU 117 Ca -0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.33 3ivy h LEU 117 Cb 0.02 -0.09 -0.24 0.00 0.37 0.00 0.00 40.66 40.73 3ivy h LEU 117 CO 0.00 0.27 0.45 0.59 -0.34 0.00 0.00 178.44 179.42 3ivy n ASN 118 N -4.47 3.75 -4.57 1.25 3.02 -0.45 -4.81 115.26 108.97 3ivy n ASN 118 Ca 0.08 -3.56 -0.24 0.00 -0.03 0.00 0.00 54.58 50.84 3ivy n ASN 118 Cb 0.27 -0.78 -0.08 0.00 -0.61 0.00 0.00 39.78 38.57 3ivy n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ivy s MET 119 N -3.23 2.03 0.30 3.52 -1.94 -0.82 -3.51 119.30 115.66 3ivy s MET 119 Ca 0.54 -1.54 0.09 0.00 -1.71 0.00 0.00 55.69 53.07 3ivy s MET 119 Cb 0.46 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 35.25 3ivy s MET 119 CO 0.10 0.36 0.06 -0.51 -0.01 0.00 0.00 175.02 175.01 3ivy s ASP 120 N -3.54 4.58 0.59 3.03 1.01 -1.26 -4.53 116.67 116.55 3ivy s ASP 120 Ca 0.30 -0.72 -0.20 0.00 0.71 0.00 0.00 52.55 52.64 3ivy s ASP 120 Cb -0.06 -0.78 -0.03 0.00 1.01 0.00 0.00 42.92 43.06 3ivy s ASP 120 CO 0.18 -0.14 1.33 0.00 0.21 0.00 0.00 175.17 176.75 3ivy n ALA 121 N -1.00 1.39 0.59 5.23 0.00 -1.26 -0.98 120.51 124.47 3ivy n ALA 121 Ca -0.05 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3ivy n ALA 121 Cb 0.60 -2.34 0.27 0.00 0.00 0.00 0.00 19.45 17.98 3ivy n ALA 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ivy n PRO 122 N -1.43 0.28 -0.11 0.00 -0.04 -1.26 -4.82 135.00 127.62 3ivy n PRO 122 Ca 0.13 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 3ivy n PRO 122 Cb 0.46 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3ivy n PRO 122 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ivy h HIS 123 N 0.00 0.43 -0.68 0.54 2.76 -1.85 -1.96 115.15 114.39 3ivy h HIS 123 Ca 0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3ivy h HIS 123 Cb 0.74 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 3ivy h HIS 123 CO 0.00 0.26 0.29 1.25 -1.30 0.00 0.00 177.93 178.43 3ivy h HIS 124 N 0.46 0.98 -0.80 5.26 -0.00 -1.34 -2.89 115.15 116.82 3ivy h HIS 124 Ca 0.14 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 3ivy h HIS 124 Cb -0.02 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 27.06 3ivy h HIS 124 CO -0.07 0.74 0.34 1.15 -0.00 0.00 0.00 177.93 180.09 3ivy h THR 125 N 0.97 1.26 -0.05 6.26 2.02 -1.61 0.16 112.91 121.93 3ivy h THR 125 Ca 0.23 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3ivy h THR 125 Cb 0.15 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3ivy h THR 125 CO -0.02 0.33 0.01 -0.09 0.37 0.00 0.00 175.52 176.11 3ivy h ARG 126 N 1.16 0.08 -0.41 6.66 2.43 -1.37 -1.44 114.38 121.50 3ivy h ARG 126 Ca 0.27 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3ivy h ARG 126 Cb 0.19 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3ivy h ARG 126 CO -0.03 0.31 0.21 -0.07 -1.51 0.00 0.00 179.97 178.89 3ivy h LEU 127 N -0.16 0.51 -0.68 3.80 3.38 -1.29 -2.21 115.31 118.67 3ivy h LEU 127 Ca 0.02 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ivy h LEU 127 Cb 0.27 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3ivy h LEU 127 CO 0.00 0.47 0.42 -0.09 0.09 0.00 0.00 178.44 179.33 3ivy h ARG 128 N 0.52 0.79 -0.44 1.13 2.43 -0.57 0.12 114.38 118.36 3ivy h ARG 128 Ca 0.14 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3ivy h ARG 128 Cb 0.07 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3ivy h ARG 128 CO -0.02 0.52 0.23 -0.22 -1.51 0.00 0.00 179.97 178.97 3ivy h LYS 129 N 0.81 0.45 -0.32 0.20 3.64 -1.02 -0.66 116.57 119.66 3ivy h LYS 129 Ca 0.28 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3ivy h LYS 129 Cb 0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3ivy h LYS 129 CO -0.12 0.30 0.03 0.82 -2.27 0.00 0.00 179.45 178.21 3ivy h ILE 130 N 0.46 1.25 0.00 2.00 2.04 -0.92 -3.13 117.51 119.20 3ivy h ILE 130 Ca 0.18 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3ivy h ILE 130 Cb 0.07 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3ivy h ILE 130 CO -0.12 0.29 0.00 0.40 0.00 0.00 0.00 178.15 178.72 3ivy h ILE 131 N 0.37 0.00 0.00 -0.67 2.04 -0.62 -1.14 117.51 117.49 3ivy h ILE 131 Ca 0.10 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3ivy h ILE 131 Cb 0.39 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3ivy h ILE 131 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 178.15 178.44 3ivy h SER 132 N 0.00 0.00 0.00 1.72 0.02 -1.06 0.68 113.55 114.91 3ivy h SER 132 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ivy h SER 132 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3ivy h SER 132 CO 0.00 0.00 0.23 0.03 -1.14 0.00 0.00 176.83 175.95 3ivy h ARG 133 N 0.00 0.00 -0.00 3.45 3.08 -1.34 -1.61 114.38 117.95 3ivy h ARG 133 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ivy h ARG 133 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3ivy h ARG 133 CO 0.00 0.00 -0.73 0.41 -1.07 0.00 0.00 179.97 178.58 3ivy n GLY 134 N -1.19 -0.97 0.33 0.04 0.00 0.23 -3.99 105.19 99.64 3ivy n GLY 134 Ca -0.02 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.53 3ivy n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ivy n PHE 135 N -1.31 0.00 -0.91 1.61 3.72 -0.62 -4.66 117.46 115.29 3ivy n PHE 135 Ca 0.06 -0.35 -0.33 0.00 -0.05 0.00 0.00 57.45 56.77 3ivy n PHE 135 Cb 0.35 -0.08 0.13 0.00 -0.94 0.00 0.00 39.48 38.93 3ivy n PHE 135 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ivy n THR 136 N -0.50 0.78 -0.25 4.37 -2.24 -1.12 -4.76 114.28 110.56 3ivy n THR 136 Ca 0.06 -0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.71 3ivy n THR 136 Cb 0.67 -0.89 0.29 0.00 -2.10 0.00 0.00 70.33 68.30 3ivy n THR 136 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ivy h PRO 137 N -1.32 0.88 -0.32 -0.78 0.11 -1.95 -1.10 132.00 127.52 3ivy h PRO 137 Ca -0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3ivy h PRO 137 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ivy h PRO 137 CO 0.40 0.58 0.04 0.07 -0.21 0.00 0.00 178.00 178.88 3ivy h ARG 138 N 0.91 0.54 -0.39 1.05 0.11 -1.98 0.25 114.38 114.87 3ivy h ARG 138 Ca 0.36 -0.15 0.01 0.00 0.10 0.00 0.00 59.98 60.29 3ivy h ARG 138 Cb 0.23 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.23 3ivy h ARG 138 CO -0.13 0.64 0.25 0.00 0.10 0.00 0.00 179.97 180.83 3ivy h ALA 139 N 0.88 0.49 -0.44 0.08 0.00 -1.70 -1.97 119.26 116.59 3ivy h ALA 139 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3ivy h ALA 139 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ivy h ALA 139 CO 0.01 -0.07 -0.17 0.28 0.00 0.00 0.00 179.25 179.29 3ivy h VAL 140 N 0.50 1.27 0.00 0.00 2.07 -1.21 -2.95 116.25 115.93 3ivy h VAL 140 Ca 0.15 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 3ivy h VAL 140 Cb -0.04 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ivy h VAL 140 CO -0.05 0.45 -0.31 1.23 0.02 0.00 0.00 177.57 178.91 3ivy h GLY 141 N 0.73 0.00 2.00 2.17 0.00 -0.79 -1.40 103.07 105.78 3ivy h GLY 141 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3ivy h GLY 141 CO 0.06 0.00 -0.01 0.07 0.00 0.00 0.00 176.54 176.66 3ivy h ARG 142 N 0.00 0.00 -0.00 4.80 0.11 -1.17 -2.02 114.38 116.09 3ivy h ARG 142 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ivy h ARG 142 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 3ivy h ARG 142 CO 0.04 0.01 -0.23 1.28 0.10 0.00 0.00 179.97 181.17 3ivy n LEU 143 N -3.45 0.51 0.10 0.08 4.77 -0.53 -4.37 117.00 114.10 3ivy n LEU 143 Ca -0.03 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3ivy n LEU 143 Cb 0.09 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3ivy n LEU 143 CO 0.24 0.10 0.79 -0.74 -1.33 0.00 0.00 177.39 176.45 3ivy h HIS 144 N 0.45 -0.31 -0.67 -1.77 2.76 -1.44 -1.40 115.15 112.77 3ivy h HIS 144 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 3ivy h HIS 144 Cb 0.45 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 3ivy h HIS 144 CO 0.00 -0.19 0.22 -0.44 -1.30 0.00 0.00 177.93 176.23 3ivy h ASP 145 N -0.26 0.96 -0.48 3.26 3.32 -1.80 0.11 116.42 121.53 3ivy h ASP 145 Ca 0.01 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.73 3ivy h ASP 145 Cb 0.26 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ivy h ASP 145 CO -0.05 0.90 -0.22 1.05 -1.72 0.00 0.00 179.24 179.21 3ivy h GLU 146 N 0.96 0.99 -0.08 3.56 4.11 -1.82 -1.44 114.58 120.86 3ivy h GLU 146 Ca 0.22 -0.43 -0.13 0.00 0.07 0.00 0.00 59.36 59.09 3ivy h GLU 146 Cb 0.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ivy h GLU 146 CO -0.01 1.10 -0.52 -0.07 0.07 0.00 0.00 179.01 179.59 3ivy h LEU 147 N 0.85 0.25 -0.53 3.06 3.38 -0.86 -1.55 115.31 119.90 3ivy h LEU 147 Ca 0.11 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3ivy h LEU 147 Cb 0.80 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3ivy h LEU 147 CO 0.07 0.72 -0.01 -0.61 0.09 0.00 0.00 178.44 178.69 3ivy h GLN 148 N 0.18 0.95 -0.76 1.13 4.15 -0.65 0.18 115.11 120.30 3ivy h GLN 148 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 3ivy h GLN 148 Cb 0.97 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.54 3ivy h GLN 148 CO 0.08 0.97 0.42 1.49 -1.93 0.00 0.00 178.83 179.86 3ivy h GLU 149 N 0.83 1.05 -0.26 1.69 4.81 -1.06 -1.01 114.58 120.62 3ivy h GLU 149 Ca 0.15 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3ivy h GLU 149 Cb 0.55 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3ivy h GLU 149 CO 0.03 0.76 -0.23 0.00 -0.73 0.00 0.00 179.01 178.84 3ivy h ARG 150 N 1.05 0.62 -0.05 1.92 3.08 -1.01 -2.30 114.38 117.70 3ivy h ARG 150 Ca 0.27 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ivy h ARG 150 Cb 0.01 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3ivy h ARG 150 CO -0.04 0.91 -0.10 0.00 -1.07 0.00 0.00 179.97 179.66 3ivy h ALA 151 N 0.69 -0.08 -0.70 0.04 0.00 -0.24 -0.21 119.26 118.76 3ivy h ALA 151 Ca 0.04 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ivy h ALA 151 Cb 0.79 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3ivy h ALA 151 CO 0.06 -0.58 0.40 1.96 0.00 0.00 0.00 179.25 181.08 3ivy h GLN 152 N -0.16 0.70 -0.43 0.00 1.08 -1.12 -1.49 115.11 113.69 3ivy h GLN 152 Ca 0.06 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 3ivy h GLN 152 Cb 0.23 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3ivy h GLN 152 CO -0.14 0.46 -0.04 -0.22 -0.95 0.00 0.00 178.83 177.94 3ivy h LYS 153 N 0.72 0.79 -0.46 1.46 3.64 -1.05 -1.04 116.57 120.63 3ivy h LYS 153 Ca 0.32 -0.27 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3ivy h LYS 153 Cb 0.21 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3ivy h LYS 153 CO -0.19 0.88 0.14 0.82 -2.27 0.00 0.00 179.45 178.82 3ivy h ILE 154 N 0.62 0.81 -0.53 2.00 2.04 -0.87 0.10 117.51 121.68 3ivy h ILE 154 Ca 0.12 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 3ivy h ILE 154 Cb 0.55 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3ivy h ILE 154 CO 0.03 0.05 -0.13 0.00 0.00 0.00 0.00 178.15 178.10 3ivy h ALA 155 N 1.33 0.75 -0.91 1.87 0.00 -1.15 -1.47 119.26 119.68 3ivy h ALA 155 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ivy h ALA 155 Cb 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ivy h ALA 155 CO -0.25 0.67 0.51 0.00 0.00 0.00 0.00 179.25 180.18 3ivy h ALA 156 N 0.93 1.16 -0.51 0.00 0.00 -0.99 -1.67 119.26 118.17 3ivy h ALA 156 Ca 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3ivy h ALA 156 Cb 0.71 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ivy h ALA 156 CO 0.05 0.65 -0.09 0.93 0.00 0.00 0.00 179.25 180.80 3ivy h GLU 157 N 1.26 0.94 -0.23 0.00 5.08 -0.62 -1.41 114.58 119.60 3ivy h GLU 157 Ca 0.32 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3ivy h GLU 157 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3ivy h GLU 157 CO -0.05 0.99 0.00 0.00 -1.00 0.00 0.00 179.01 178.95 3ivy h ALA 158 N 1.04 0.31 -0.74 3.43 0.00 -0.99 -2.31 119.26 120.00 3ivy h ALA 158 Ca 0.14 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3ivy h ALA 158 Cb 0.62 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3ivy h ALA 158 CO 0.04 0.04 0.42 0.00 0.00 0.00 0.00 179.25 179.75 3ivy h ALA 159 N 0.81 1.01 0.00 0.00 0.00 -1.10 -0.55 119.26 119.44 3ivy h ALA 159 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ivy h ALA 159 Cb 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ivy h ALA 159 CO 0.01 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.20 3ivy h ALA 160 N 1.39 1.02 0.00 0.00 0.00 -1.18 -2.02 119.26 118.47 3ivy h ALA 160 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ivy h ALA 160 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ivy h ALA 160 CO -0.20 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3ivy h ALA 161 N 1.85 1.00 0.00 0.00 0.00 -0.53 -3.47 119.26 118.11 3ivy h ALA 161 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ivy h ALA 161 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ivy h ALA 161 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3ivy n GLY 162 N 0.99 1.63 3.48 0.00 0.00 -0.76 -4.83 105.19 105.70 3ivy n GLY 162 Ca 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3ivy n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ivy s SER 163 N 0.00 -0.07 0.00 1.61 1.04 -1.26 -0.44 113.70 114.59 3ivy s SER 163 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3ivy s SER 163 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3ivy s SER 163 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3ivy n GLY 164 N -0.32 -0.93 3.54 7.32 0.00 -0.60 -4.95 105.19 109.26 3ivy n GLY 164 Ca -0.05 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 3ivy n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ivy s ASP 165 N -4.00 6.42 0.47 1.61 2.15 -1.26 -0.88 116.67 121.19 3ivy s ASP 165 Ca 0.00 -0.08 0.13 0.00 0.43 0.00 0.00 52.55 53.02 3ivy s ASP 165 Cb 0.00 -2.40 1.10 0.00 -0.30 0.00 0.00 42.92 41.32 3ivy s ASP 165 CO 0.00 -0.95 2.11 0.15 -0.17 0.00 0.00 175.17 176.30 3ivy h PHE 166 N 9.01 0.19 -0.36 -5.34 3.57 -1.13 0.42 116.94 123.29 3ivy h PHE 166 Ca -0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 3ivy h PHE 166 Cb 1.08 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 3ivy h PHE 166 CO 0.82 0.13 0.19 0.28 -2.23 0.00 0.00 178.31 177.50 3ivy h VAL 167 N 0.20 1.15 -0.04 1.41 2.07 -1.88 -0.07 116.25 119.08 3ivy h VAL 167 Ca 0.05 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3ivy h VAL 167 Cb 0.00 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3ivy h VAL 167 CO -0.01 0.16 -0.10 -0.08 0.02 0.00 0.00 177.57 177.56 3ivy h GLU 168 N 0.45 0.14 0.00 1.57 4.81 -1.70 -0.78 114.58 119.08 3ivy h GLU 168 Ca 0.13 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3ivy h GLU 168 Cb 0.08 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3ivy h GLU 168 CO -0.02 0.69 -0.05 1.96 -0.73 0.00 0.00 179.01 180.86 3ivy h GLN 169 N -0.38 0.00 0.00 1.92 4.20 -0.91 -3.38 115.11 116.56 3ivy h GLN 169 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ivy h GLN 169 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3ivy h GLN 169 CO 0.02 0.00 -0.55 0.28 -0.67 0.00 0.00 178.83 177.91 3ivy n VAL 170 N -2.78 0.00 0.05 -0.54 0.31 -0.14 -4.76 118.33 110.47 3ivy n VAL 170 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 3ivy n VAL 170 Cb 0.49 -0.70 -0.13 0.00 -0.91 0.00 0.00 33.84 32.59 3ivy n VAL 170 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3ivy h SER 171 N 0.00 0.08 -0.02 4.52 0.02 -1.04 -3.42 113.55 113.69 3ivy h SER 171 Ca 0.00 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3ivy h SER 171 Cb 0.55 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3ivy h SER 171 CO 0.00 1.08 -0.21 0.00 -1.14 0.00 0.00 176.83 176.56 3ivy h GLU 173 N -0.45 0.63 -0.30 0.00 4.81 -1.80 -3.31 114.58 114.15 3ivy h GLU 173 Ca -0.02 -0.68 -0.12 0.00 -0.13 0.00 0.00 59.36 58.41 3ivy h GLU 173 Cb 0.91 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3ivy h GLU 173 CO 0.04 1.27 -0.32 1.25 -0.73 0.00 0.00 179.01 180.53 3ivy h LEU 174 N 0.35 0.68 -1.21 1.64 5.85 -1.83 0.07 115.31 120.86 3ivy h LEU 174 Ca -0.12 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3ivy h LEU 174 Cb 1.67 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 3ivy h LEU 174 CO 0.20 0.95 0.37 -0.65 -0.34 0.00 0.00 178.44 178.96 3ivy h PRO 175 N 0.56 0.91 -0.45 5.25 0.11 -1.77 -0.58 132.00 136.03 3ivy h PRO 175 Ca 0.06 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 3ivy h PRO 175 Cb 0.82 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 3ivy h PRO 175 CO 0.07 0.67 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.41 3ivy h LEU 176 N 0.92 0.81 -1.43 2.35 3.38 -1.38 -2.47 115.31 117.50 3ivy h LEU 176 Ca 0.24 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3ivy h LEU 176 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3ivy h LEU 176 CO -0.04 0.95 -0.24 1.56 0.09 0.00 0.00 178.44 180.76 3ivy h GLN 177 N 0.66 0.00 -0.66 1.13 1.08 -0.52 -0.76 115.11 116.04 3ivy h GLN 177 Ca 0.12 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 3ivy h GLN 177 Cb 0.56 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 3ivy h GLN 177 CO 0.03 0.24 0.18 0.00 -0.95 0.00 0.00 178.83 178.34 3ivy h ALA 178 N 1.76 0.87 -0.17 3.87 0.00 -0.82 0.25 119.26 125.02 3ivy h ALA 178 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3ivy h ALA 178 Cb 0.59 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ivy h ALA 178 CO 0.03 0.57 -0.26 0.82 0.00 0.00 0.00 179.25 180.41 3ivy h ILE 179 N 0.98 1.35 -0.96 0.00 2.04 -1.12 -0.81 117.51 119.00 3ivy h ILE 179 Ca 0.21 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3ivy h ILE 179 Cb 0.34 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 3ivy h ILE 179 CO -0.00 0.45 0.61 0.00 0.00 0.00 0.00 178.15 179.20 3ivy h ALA 180 N 0.59 1.27 -0.27 1.87 0.00 -1.09 -1.61 119.26 120.02 3ivy h ALA 180 Ca 0.01 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3ivy h ALA 180 Cb 0.84 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ivy h ALA 180 CO 0.06 0.65 -0.59 0.78 0.00 0.00 0.00 179.25 180.16 3ivy h GLY 181 N 1.31 0.96 0.43 0.00 0.00 -0.84 -0.07 103.07 104.86 3ivy h GLY 181 Ca 0.35 -1.16 0.08 0.00 0.00 0.00 0.00 47.33 46.60 3ivy h GLY 181 CO -0.07 1.04 0.18 -2.00 0.00 0.00 0.00 176.54 175.68 3ivy h LEU 182 N 0.66 0.15 -0.22 3.11 5.85 -0.89 -2.75 115.31 121.22 3ivy h LEU 182 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ivy h LEU 182 Cb 1.20 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3ivy h LEU 182 CO 0.13 0.11 -0.07 0.18 -0.34 0.00 0.00 178.44 178.45 3ivy n LEU 183 N -5.03 0.40 -3.79 2.25 4.77 -0.63 -4.44 117.00 110.54 3ivy n LEU 183 Ca 0.07 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 3ivy n LEU 183 Cb 0.24 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3ivy n LEU 183 CO 0.22 0.07 0.13 0.61 -1.33 0.00 0.00 177.39 177.10 3ivy n GLY 184 N 1.22 -0.49 3.71 -0.72 0.00 -0.14 -4.65 105.19 104.12 3ivy n GLY 184 Ca 0.16 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3ivy n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivy s VAL 185 N -3.35 3.29 0.53 1.61 1.01 -0.58 -4.97 120.40 117.94 3ivy s VAL 185 Ca 0.56 0.88 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 3ivy s VAL 185 Cb -0.27 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3ivy s VAL 185 CO 0.80 0.05 1.12 -2.65 0.00 0.00 0.00 175.10 174.42 3ivy n PRO 186 N 4.36 1.32 0.12 2.72 -0.02 -1.26 -4.89 135.00 137.35 3ivy n PRO 186 Ca 0.12 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 3ivy n PRO 186 Cb 0.42 -2.29 0.54 0.00 -0.02 0.00 0.00 33.50 32.15 3ivy n PRO 186 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ivy h GLN 187 N 1.12 0.26 0.00 -0.52 1.08 -2.00 -0.62 115.11 114.43 3ivy h GLN 187 Ca -0.48 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 3ivy h GLN 187 Cb 1.33 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 3ivy h GLN 187 CO 0.55 0.17 0.00 0.39 -0.95 0.00 0.00 178.83 178.99 3ivy n GLU 188 N -4.50 0.04 0.00 1.46 4.71 -1.26 -2.47 120.64 118.62 3ivy n GLU 188 Ca 0.01 0.12 0.09 0.00 -0.01 0.00 0.00 57.16 57.37 3ivy n GLU 188 Cb 0.11 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 3ivy n GLU 188 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ivy n ASP 189 N -1.47 1.79 0.04 1.62 8.00 -0.25 -4.54 116.55 121.74 3ivy n ASP 189 Ca 0.06 -1.40 -0.09 0.00 0.71 0.00 0.00 54.79 54.08 3ivy n ASP 189 Cb 0.24 0.44 0.06 0.00 -0.02 0.00 0.00 41.12 41.84 3ivy n ASP 189 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3ivy h ARG 190 N 2.09 0.42 -0.67 -1.24 3.08 -1.39 -2.00 114.38 114.67 3ivy h ARG 190 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3ivy h ARG 190 Cb 0.62 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 3ivy h ARG 190 CO 0.00 0.92 0.43 0.78 -1.07 0.00 0.00 179.97 181.03 3ivy h GLY 191 N 1.25 0.96 1.16 0.04 0.00 -1.80 0.16 103.07 104.84 3ivy h GLY 191 Ca -0.01 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 46.75 3ivy h GLY 191 CO 0.11 0.37 -0.55 0.07 0.00 0.00 0.00 176.54 176.54 3ivy h LYS 192 N 0.91 0.88 -0.23 4.80 2.10 -1.83 -1.69 116.57 121.51 3ivy h LYS 192 Ca 0.24 -0.56 0.04 0.00 -2.00 0.00 0.00 60.65 58.38 3ivy h LYS 192 Cb -0.07 0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 3ivy h LYS 192 CO -0.05 1.19 -0.04 1.25 -2.00 0.00 0.00 179.45 179.80 3ivy h LEU 193 N 0.67 -0.18 -0.89 7.07 5.85 -1.14 -1.66 115.31 125.04 3ivy h LEU 193 Ca 0.01 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3ivy h LEU 193 Cb 1.16 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3ivy h LEU 193 CO 0.12 -0.06 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.87 3ivy h PHE 194 N 0.02 0.84 0.03 1.25 0.04 -0.59 -0.56 116.94 117.96 3ivy h PHE 194 Ca 0.11 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 3ivy h PHE 194 Cb 0.16 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 3ivy h PHE 194 CO -0.22 0.79 -0.02 1.25 -0.60 0.00 0.00 178.31 179.51 3ivy h HIS 195 N 0.72 -0.04 -0.59 -0.55 2.76 -1.03 -0.82 115.15 115.60 3ivy h HIS 195 Ca 0.14 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3ivy h HIS 195 Cb 0.49 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 3ivy h HIS 195 CO 0.03 -0.03 0.37 -1.49 -1.30 0.00 0.00 177.93 175.51 3ivy h TRP 196 N -0.04 0.76 -0.04 5.26 6.55 -1.15 -2.86 115.95 124.44 3ivy h TRP 196 Ca -0.00 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 3ivy h TRP 196 Cb 0.03 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 3ivy h TRP 196 CO -0.08 0.51 -0.19 0.77 -1.05 0.00 0.00 178.44 178.39 3ivy h SER 197 N 0.79 0.05 -0.06 -3.49 0.02 -0.79 -1.06 113.55 109.01 3ivy h SER 197 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3ivy h SER 197 Cb -0.04 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3ivy h SER 197 CO -0.04 0.26 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 3ivy n ASN 198 N -4.28 0.83 -0.51 3.07 3.02 -0.34 -3.21 115.26 113.84 3ivy n ASN 198 Ca -0.02 -1.47 0.04 0.00 -0.03 0.00 0.00 54.58 53.11 3ivy n ASN 198 Cb 0.27 -0.04 0.12 0.00 -0.61 0.00 0.00 39.78 39.53 3ivy n ASN 198 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ivy n GLU 199 N -0.27 2.89 -0.04 3.52 1.02 -0.41 -4.80 120.64 122.54 3ivy n GLU 199 Ca 0.17 -1.96 -0.04 0.00 -0.02 0.00 0.00 57.16 55.32 3ivy n GLU 199 Cb 0.21 -1.23 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 3ivy n GLU 199 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3ivy n MET 200 N 0.26 0.66 -3.61 3.49 1.56 -1.14 -3.90 117.12 114.43 3ivy n MET 200 Ca 0.09 0.05 -0.37 0.00 -0.27 0.00 0.00 57.70 57.21 3ivy n MET 200 Cb 0.40 -1.62 -0.06 0.00 2.15 0.00 0.00 33.22 34.08 3ivy n MET 200 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3ivy s THR 201 N -2.79 5.27 0.22 1.12 -4.23 -1.26 -4.88 115.64 109.08 3ivy s THR 201 Ca -0.07 0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 60.69 3ivy s THR 201 Cb 0.08 -3.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 3ivy s THR 201 CO 0.84 0.51 1.38 -0.83 -0.54 0.00 0.00 174.62 175.98 3ivy s GLY 202 N -0.42 2.34 0.30 3.99 0.00 -1.26 -5.02 107.32 107.25 3ivy s GLY 202 Ca 0.18 1.22 -0.00 0.00 0.00 0.00 0.00 44.72 46.12 3ivy s GLY 202 CO 0.07 2.20 0.35 0.54 0.00 0.00 0.00 173.10 176.27 3ivy s ASN 203 N 0.41 0.91 -0.26 1.64 2.20 -1.26 -5.04 114.94 113.54 3ivy s ASN 203 Ca 0.59 -1.50 0.09 0.00 -0.94 0.00 0.00 52.86 51.10 3ivy s ASN 203 Cb -0.39 0.57 0.46 0.00 -2.00 0.00 0.00 41.25 39.89 3ivy s ASN 203 CO 0.40 -1.13 1.32 -1.84 -2.94 0.00 0.00 177.10 172.91 3ivy n GLU 204 N -0.51 1.94 -2.48 3.55 0.28 -1.14 -4.98 120.64 117.30 3ivy n GLU 204 Ca 0.03 -3.37 -0.41 0.00 -0.16 0.00 0.00 57.16 53.25 3ivy n GLU 204 Cb 0.63 -1.78 -0.04 0.00 1.43 0.00 0.00 31.44 31.67 3ivy n GLU 204 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3ivy s ASP 205 N -3.00 7.22 0.51 -1.84 -1.08 -1.24 -4.93 116.67 112.31 3ivy s ASP 205 Ca 0.43 2.13 0.29 0.00 -0.52 0.00 0.00 52.55 54.87 3ivy s ASP 205 Cb 0.39 -2.61 1.36 0.00 -1.46 0.00 0.00 42.92 40.60 3ivy s ASP 205 CO -0.03 -0.26 2.01 1.55 0.52 0.00 0.00 175.17 178.96 3ivy h PRO 206 N 5.10 0.00 0.00 4.34 0.13 -1.95 -0.51 132.00 139.11 3ivy h PRO 206 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3ivy h PRO 206 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ivy h PRO 206 CO 0.73 0.13 -0.10 1.49 -0.23 0.00 0.00 178.00 180.01 3ivy h GLU 207 N 0.00 0.00 -0.09 0.86 4.81 -2.02 -3.11 114.58 115.04 3ivy h GLU 207 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ivy h GLU 207 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3ivy h GLU 207 CO 0.02 0.10 -0.07 0.66 -0.73 0.00 0.00 179.01 178.99 3ivy n TYR 208 N -3.52 0.31 0.36 0.92 4.01 -0.21 -4.76 117.16 114.27 3ivy n TYR 208 Ca -0.02 -1.08 0.09 0.00 -0.16 0.00 0.00 57.90 56.74 3ivy n TYR 208 Cb 0.24 -0.23 0.39 0.00 -0.31 0.00 0.00 39.34 39.43 3ivy n TYR 208 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ivy n ALA 209 N -1.15 1.52 1.01 -0.72 0.00 -1.14 -1.39 120.51 118.64 3ivy n ALA 209 Ca 0.19 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.78 3ivy n ALA 209 Cb 0.74 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 3ivy n ALA 209 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ivy n HIS 210 N -1.92 0.00 -2.15 0.00 1.44 -1.26 -4.93 115.22 106.40 3ivy n HIS 210 Ca 0.02 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.38 3ivy n HIS 210 Cb 0.16 -0.05 0.02 0.00 0.12 0.00 0.00 29.99 30.24 3ivy n HIS 210 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3ivy s ILE 211 N -2.88 2.96 -0.35 0.61 1.01 -0.49 -5.03 121.20 117.03 3ivy s ILE 211 Ca 0.11 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.36 3ivy s ILE 211 Cb 0.17 -3.23 0.11 0.00 0.01 0.00 0.00 42.46 39.51 3ivy s ILE 211 CO 0.77 -0.13 0.13 -0.62 0.00 0.00 0.00 174.94 175.09 3ivy s ASP 212 N -1.73 4.04 0.51 3.58 2.15 -1.26 -4.96 116.67 119.00 3ivy s ASP 212 Ca 0.74 -1.99 0.34 0.00 0.43 0.00 0.00 52.55 52.08 3ivy s ASP 212 Cb -0.26 -1.02 1.72 0.00 -0.30 0.00 0.00 42.92 43.05 3ivy s ASP 212 CO 0.30 -0.37 2.04 -0.65 -0.17 0.00 0.00 175.17 176.31 3ivy h PRO 213 N 7.65 0.00 -0.14 4.34 0.11 -1.90 -2.02 132.00 140.04 3ivy h PRO 213 Ca -0.09 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.80 3ivy h PRO 213 Cb 0.99 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ivy h PRO 213 CO 0.48 0.00 -0.78 0.87 -0.21 0.00 0.00 178.00 178.36 3ivy h LYS 214 N 0.00 0.75 -0.35 1.05 1.57 -1.93 0.13 116.57 117.80 3ivy h LYS 214 Ca 0.00 -0.62 -0.12 0.00 -1.87 0.00 0.00 60.65 58.04 3ivy h LYS 214 Cb 0.17 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3ivy h LYS 214 CO 0.00 1.23 -0.27 0.00 -0.57 0.00 0.00 179.45 179.83 3ivy h ALA 215 N 0.60 0.87 -0.46 3.86 0.00 -1.81 -1.86 119.26 120.47 3ivy h ALA 215 Ca -0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3ivy h ALA 215 Cb 1.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3ivy h ALA 215 CO 0.16 0.63 -0.11 0.77 0.00 0.00 0.00 179.25 180.69 3ivy h SER 216 N 0.62 0.83 -0.12 0.00 0.02 -1.23 -0.67 113.55 113.00 3ivy h SER 216 Ca 0.08 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3ivy h SER 216 Cb 0.78 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 3ivy h SER 216 CO 0.06 0.96 0.03 -1.28 -1.14 0.00 0.00 176.83 175.46 3ivy h SER 217 N 0.75 0.18 -0.51 3.07 0.87 -0.67 -0.92 113.55 116.33 3ivy h SER 217 Ca 0.12 -0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3ivy h SER 217 Cb 0.62 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 3ivy h SER 217 CO 0.04 0.38 0.27 0.00 -0.53 0.00 0.00 176.83 176.99 3ivy h ALA 218 N 0.81 0.65 -0.43 6.23 0.00 -0.93 -0.19 119.26 125.40 3ivy h ALA 218 Ca 0.04 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ivy h ALA 218 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ivy h ALA 218 CO 0.00 -0.05 -0.08 0.93 0.00 0.00 0.00 179.25 180.05 3ivy h GLU 219 N 0.54 0.74 -0.11 0.00 5.08 -1.00 -0.85 114.58 118.99 3ivy h GLU 219 Ca 0.22 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 3ivy h GLU 219 Cb 0.09 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ivy h GLU 219 CO -0.13 0.81 -0.66 1.25 -1.00 0.00 0.00 179.01 179.27 3ivy h LEU 220 N 0.68 0.76 -0.77 1.33 5.85 -0.91 -1.12 115.31 121.13 3ivy h LEU 220 Ca 0.12 -0.65 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3ivy h LEU 220 Cb 0.53 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3ivy h LEU 220 CO 0.03 1.30 0.48 0.40 -0.34 0.00 0.00 178.44 180.31 3ivy h ILE 221 N 0.28 1.21 -0.54 4.05 2.04 -0.94 0.04 117.51 123.65 3ivy h ILE 221 Ca -0.05 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 3ivy h ILE 221 Cb 1.31 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3ivy h ILE 221 CO 0.14 0.22 -0.04 1.23 0.00 0.00 0.00 178.15 179.69 3ivy h GLY 222 N 1.05 1.04 0.99 5.37 0.00 -0.86 -0.10 103.07 110.55 3ivy h GLY 222 Ca 0.28 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.85 3ivy h GLY 222 CO -0.05 0.70 0.26 -1.82 0.00 0.00 0.00 176.54 175.64 3ivy h TYR 223 N 0.87 0.50 -0.44 5.60 3.20 -0.86 -2.23 116.97 123.61 3ivy h TYR 223 Ca 0.15 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3ivy h TYR 223 Cb 0.57 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3ivy h TYR 223 CO 0.04 0.31 -0.09 0.00 -1.64 0.00 0.00 178.16 176.78 3ivy h ALA 224 N 1.15 1.02 -0.66 1.82 0.00 -0.64 -1.47 119.26 120.48 3ivy h ALA 224 Ca 0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3ivy h ALA 224 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3ivy h ALA 224 CO -0.04 0.59 0.11 0.52 0.00 0.00 0.00 179.25 180.44 3ivy h MET 225 N 0.71 1.09 -0.81 0.00 2.86 -0.81 -1.36 114.93 116.61 3ivy h MET 225 Ca 0.12 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3ivy h MET 225 Cb 0.56 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 3ivy h MET 225 CO 0.03 1.00 0.40 0.87 1.06 0.00 0.00 176.91 180.27 3ivy h LYS 226 N 1.01 1.16 -0.72 1.72 1.57 -1.13 -1.40 116.57 118.78 3ivy h LYS 226 Ca 0.20 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3ivy h LYS 226 Cb 0.43 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3ivy h LYS 226 CO 0.01 0.89 0.32 1.98 -0.57 0.00 0.00 179.45 182.08 3ivy h MET 227 N 1.15 1.04 -0.50 3.15 -1.53 -0.97 -1.51 114.93 115.77 3ivy h MET 227 Ca 0.28 -0.16 -0.12 0.00 -3.44 0.00 0.00 59.70 56.26 3ivy h MET 227 Cb 0.10 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 30.95 3ivy h MET 227 CO -0.04 0.82 -0.15 0.00 0.14 0.00 0.00 176.91 177.68 3ivy h ALA 228 N 1.32 0.69 -0.41 0.39 0.00 -0.86 -2.71 119.26 117.67 3ivy h ALA 228 Ca 0.25 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3ivy h ALA 228 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ivy h ALA 228 CO -0.03 0.63 -0.22 1.49 0.00 0.00 0.00 179.25 181.13 3ivy h GLU 229 N 0.84 0.83 0.00 0.00 4.81 -0.85 -2.34 114.58 117.86 3ivy h GLU 229 Ca 0.12 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3ivy h GLU 229 Cb 0.72 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 3ivy h GLU 229 CO 0.06 0.96 -0.02 0.93 -0.73 0.00 0.00 179.01 180.21 3ivy h GLU 230 N 0.72 0.00 0.00 1.92 5.08 -1.06 -3.51 114.58 117.73 3ivy h GLU 230 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3ivy h GLU 230 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3ivy h GLU 230 CO 0.06 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3ivy n LYS 231 N -3.14 3.15 -0.22 2.33 4.76 -0.88 -5.11 118.16 119.05 3ivy n LYS 231 Ca -0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 3ivy n LYS 231 Cb 0.28 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.73 3ivy n LYS 231 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3ivy n ILE 239 N 0.00 -0.01 -0.21 -0.18 0.13 -1.26 -4.99 119.36 112.85 3ivy n ILE 239 Ca 0.00 0.48 0.01 0.00 -1.10 0.00 0.00 62.75 62.14 3ivy n ILE 239 Cb 0.00 -0.79 0.10 0.00 -0.84 0.00 0.00 39.64 38.11 3ivy n ILE 239 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 3ivy h VAL 240 N 0.00 0.45 -0.17 9.51 2.07 -1.86 -1.43 116.25 124.82 3ivy h VAL 240 Ca 0.29 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.68 3ivy h VAL 240 Cb 1.16 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3ivy h VAL 240 CO -0.02 0.02 -0.36 0.00 0.02 0.00 0.00 177.57 177.24 3ivy h THR 241 N 0.09 1.29 -0.12 2.57 1.03 -1.97 -0.23 112.91 115.56 3ivy h THR 241 Ca 0.33 -1.43 -0.09 0.00 -0.01 0.00 0.00 66.41 65.21 3ivy h THR 241 Cb 0.53 1.55 -0.01 0.00 -1.07 0.00 0.00 68.15 69.15 3ivy h THR 241 CO -0.56 0.44 -0.31 1.56 -0.01 0.00 0.00 175.52 176.64 3ivy h GLN 242 N 0.30 0.24 0.00 0.00 4.20 -1.80 0.11 115.11 118.16 3ivy h GLN 242 Ca 0.03 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 3ivy h GLN 242 Cb 0.77 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 3ivy h GLN 242 CO 0.06 0.53 -0.59 -0.07 -0.67 0.00 0.00 178.83 178.09 3ivy h LEU 243 N 0.21 0.00 -1.48 1.46 3.38 -0.42 -3.34 115.31 115.13 3ivy h LEU 243 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ivy h LEU 243 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ivy h LEU 243 CO 0.05 0.59 -0.10 2.30 0.09 0.00 0.00 178.44 181.37 3ivy n ILE 244 N -3.59 0.00 -3.07 1.22 -5.35 -0.18 -1.28 119.36 107.12 3ivy n ILE 244 Ca -0.00 -0.45 -0.40 0.00 -0.27 0.00 0.00 62.75 61.63 3ivy n ILE 244 Cb 0.64 1.33 -0.05 0.00 -1.74 0.00 0.00 39.64 39.82 3ivy n ILE 244 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ivy s GLN 245 N -1.63 4.43 0.08 6.28 -0.21 0.37 -4.77 119.66 124.21 3ivy s GLN 245 Ca 0.19 0.84 -0.33 0.00 0.02 0.00 0.00 55.36 56.07 3ivy s GLN 245 Cb 0.15 -3.45 -0.13 0.00 1.00 0.00 0.00 33.01 30.58 3ivy s GLN 245 CO 0.28 0.07 1.72 0.00 -2.12 0.00 0.00 175.29 175.24 3ivy n ALA 246 N 3.79 1.40 0.03 6.09 0.00 -1.26 -4.62 120.51 125.93 3ivy n ALA 246 Ca -0.02 0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 3ivy n ALA 246 Cb 0.51 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 3ivy n ALA 246 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3ivy h ASP 247 N 7.39 0.00 0.00 0.00 2.03 -1.96 -3.45 116.42 120.43 3ivy h ASP 247 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3ivy h ASP 247 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3ivy h ASP 247 CO 0.92 0.95 0.00 0.61 -1.03 0.00 0.00 179.24 180.68 3ivy n GLY 250 N 1.44 -0.70 3.76 7.15 0.00 -1.26 -5.13 105.19 110.45 3ivy n GLY 250 Ca -0.08 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3ivy n GLY 250 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ivy s GLU 251 N -2.00 4.71 -0.06 1.61 2.56 -1.26 -5.03 118.70 119.22 3ivy s GLU 251 Ca 0.06 1.32 -0.31 0.00 0.00 0.00 0.00 54.97 56.03 3ivy s GLU 251 Cb 0.03 -3.27 0.12 0.00 2.00 0.00 0.00 34.13 33.00 3ivy s GLU 251 CO 0.04 0.54 1.11 -1.59 -0.56 0.00 0.00 175.26 174.81 3ivy s LYS 252 N -1.15 0.58 0.29 4.30 -2.85 -1.26 -4.14 119.74 115.51 3ivy s LYS 252 Ca 0.38 -0.26 -0.29 0.00 -1.00 0.00 0.00 55.97 54.80 3ivy s LYS 252 Cb -0.24 0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 35.67 3ivy s LYS 252 CO 0.29 -0.26 1.21 -0.51 0.10 0.00 0.00 175.35 176.18 3ivy s LEU 253 N -2.53 4.48 1.07 2.77 1.43 -0.40 -5.03 118.68 120.48 3ivy s LEU 253 Ca 0.10 2.47 -0.14 0.00 -1.03 0.00 0.00 54.13 55.53 3ivy s LEU 253 Cb 0.00 -3.64 0.23 0.00 0.03 0.00 0.00 46.19 42.81 3ivy s LEU 253 CO -0.05 -0.35 1.08 -0.94 0.23 0.00 0.00 176.35 176.32 3ivy s SER 254 N -0.59 1.97 0.20 2.29 1.04 -1.26 -4.61 113.70 112.74 3ivy s SER 254 Ca 0.47 1.14 -0.07 0.00 0.48 0.00 0.00 55.95 57.97 3ivy s SER 254 Cb -0.36 -1.77 0.14 0.00 0.10 0.00 0.00 66.02 64.14 3ivy s SER 254 CO 0.46 -3.53 1.68 0.44 0.98 0.00 0.00 173.24 173.27 3ivy h ASP 255 N -2.17 0.99 -0.47 7.02 3.32 -1.96 0.30 116.42 123.46 3ivy h ASP 255 Ca -0.55 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.15 3ivy h ASP 255 Cb 1.33 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 3ivy h ASP 255 CO 0.53 1.03 -0.03 -2.24 -1.72 0.00 0.00 179.24 176.82 3ivy h ASP 256 N 0.94 0.88 -0.52 6.45 2.03 -1.95 -2.16 116.42 122.08 3ivy h ASP 256 Ca 0.17 -0.24 -0.01 0.00 -0.73 0.00 0.00 57.03 56.22 3ivy h ASP 256 Cb 0.51 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 38.75 3ivy h ASP 256 CO 0.02 0.96 0.29 -0.33 -1.03 0.00 0.00 179.24 179.15 3ivy h GLU 257 N 0.83 0.75 -0.44 4.15 5.08 -1.73 -0.36 114.58 122.86 3ivy h GLU 257 Ca 0.15 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3ivy h GLU 257 Cb 0.53 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3ivy h GLU 257 CO 0.03 0.56 -0.05 0.35 -1.00 0.00 0.00 179.01 178.90 3ivy h PHE 258 N 0.76 0.81 -0.80 4.33 3.57 -0.62 -1.07 116.94 123.92 3ivy h PHE 258 Ca 0.19 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3ivy h PHE 258 Cb 0.03 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3ivy h PHE 258 CO 0.00 0.78 0.50 0.78 -2.23 0.00 0.00 178.31 178.15 3ivy h GLY 259 N 0.97 1.14 2.00 2.40 0.00 -0.66 -0.79 103.07 108.13 3ivy h GLY 259 Ca 0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3ivy h GLY 259 CO 0.03 0.44 -0.29 0.74 0.00 0.00 0.00 176.54 177.46 3ivy h PHE 260 N 1.09 0.00 -0.05 5.60 0.04 -0.77 -1.49 116.94 121.36 3ivy h PHE 260 Ca 0.29 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.92 3ivy h PHE 260 Cb -0.08 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.08 3ivy h PHE 260 CO -0.01 0.29 -0.52 0.35 -0.60 0.00 0.00 178.31 177.82 3ivy h PHE 261 N 0.00 0.62 -0.50 -0.55 3.57 -0.54 -0.93 116.94 118.62 3ivy h PHE 261 Ca -0.00 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.14 3ivy h PHE 261 Cb 0.70 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3ivy h PHE 261 CO 0.00 1.10 0.09 0.28 -2.23 0.00 0.00 178.31 177.54 3ivy h VAL 262 N -0.03 1.22 -0.70 1.41 2.07 -0.74 -1.46 116.25 118.03 3ivy h VAL 262 Ca -0.05 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.66 3ivy h VAL 262 Cb 1.20 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3ivy h VAL 262 CO 0.11 0.31 0.43 0.58 0.02 0.00 0.00 177.57 179.02 3ivy h VAL 263 N 0.74 1.08 -0.50 2.57 2.07 -1.21 -1.70 116.25 119.31 3ivy h VAL 263 Ca 0.16 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3ivy h VAL 263 Cb 0.33 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3ivy h VAL 263 CO 0.00 0.15 0.11 -0.03 0.02 0.00 0.00 177.57 177.83 3ivy h MET 264 N 0.84 0.76 -0.30 1.57 -1.53 -0.61 -2.04 114.93 113.62 3ivy h MET 264 Ca 0.28 -0.15 -0.13 0.00 -3.44 0.00 0.00 59.70 56.26 3ivy h MET 264 Cb 0.04 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 3ivy h MET 264 CO -0.12 0.70 -0.36 -0.07 0.14 0.00 0.00 176.91 177.20 3ivy h LEU 265 N 0.73 0.70 -1.46 3.39 3.38 -0.78 0.16 115.31 121.42 3ivy h LEU 265 Ca 0.16 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ivy h LEU 265 Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ivy h LEU 265 CO -0.00 1.00 0.32 0.00 0.09 0.00 0.00 178.44 179.85 3ivy h ALA 266 N 1.04 1.60 0.00 1.53 0.00 -0.66 0.12 119.26 122.90 3ivy h ALA 266 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3ivy h ALA 266 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3ivy h ALA 266 CO 0.08 0.36 -1.40 1.33 0.00 0.00 0.00 179.25 179.61 3ivy n VAL 267 N -4.44 0.97 -0.03 0.00 0.24 -0.83 -4.14 118.33 110.10 3ivy n VAL 267 Ca 0.05 -0.65 -0.07 0.00 -2.04 0.00 0.00 64.34 61.62 3ivy n VAL 267 Cb 0.06 -0.57 -0.14 0.00 -1.47 0.00 0.00 33.84 31.72 3ivy n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ivy n ALA 268 N -2.35 1.57 -0.11 2.33 0.00 0.50 -4.63 120.51 117.82 3ivy n ALA 268 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3ivy n ALA 268 Cb 0.76 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3ivy n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivy n GLY 269 N 1.56 2.62 0.00 0.00 0.00 0.01 -4.56 105.19 104.81 3ivy n GLY 269 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3ivy n GLY 269 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ivy n ASN 270 N -0.49 0.00 0.11 1.61 5.15 -1.25 -4.33 115.26 116.06 3ivy n ASN 270 Ca 0.01 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.10 3ivy n ASN 270 Cb 0.28 0.00 0.61 0.00 -0.53 0.00 0.00 39.78 40.14 3ivy n ASN 270 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3ivy h GLU 271 N 0.00 0.11 0.12 1.20 5.08 -1.87 -1.85 114.58 117.37 3ivy h GLU 271 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3ivy h GLU 271 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ivy h GLU 271 CO 0.00 0.07 -0.06 1.79 -1.00 0.00 0.00 179.01 179.82 3ivy h THR 272 N 0.11 0.93 -0.49 1.13 1.35 -1.83 -0.44 112.91 113.67 3ivy h THR 272 Ca 0.12 -0.18 -0.11 0.00 -0.55 0.00 0.00 66.41 65.69 3ivy h THR 272 Cb 0.35 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 3ivy h THR 272 CO -0.01 0.05 -0.14 0.74 -0.25 0.00 0.00 175.52 175.90 3ivy h THR 273 N -0.25 1.27 -0.38 6.82 2.02 -1.70 -1.76 112.91 118.93 3ivy h THR 273 Ca -0.02 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 65.96 3ivy h THR 273 Cb 0.20 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 3ivy h THR 273 CO 0.03 0.44 0.04 -0.09 0.37 0.00 0.00 175.52 176.31 3ivy h ARG 274 N 0.83 0.15 0.00 6.66 2.43 -1.27 -1.39 114.38 121.80 3ivy h ARG 274 Ca 0.13 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3ivy h ARG 274 Cb 0.68 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3ivy h ARG 274 CO 0.05 0.10 -0.46 -0.91 -1.51 0.00 0.00 179.97 177.24 3ivy h ASN 275 N 0.16 0.00 -0.43 -3.80 2.35 -0.80 -1.40 115.58 111.65 3ivy h ASN 275 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3ivy h ASN 275 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3ivy h ASN 275 CO -0.27 0.46 0.28 0.28 -1.65 0.00 0.00 177.43 176.53 3ivy h SER 276 N 0.00 0.50 -0.27 5.81 0.02 -0.58 -1.18 113.55 117.85 3ivy h SER 276 Ca -0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3ivy h SER 276 Cb 0.87 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3ivy h SER 276 CO 0.06 0.38 0.06 0.40 -1.14 0.00 0.00 176.83 176.59 3ivy h ILE 277 N 0.59 1.22 -0.20 3.27 2.04 -0.64 0.30 117.51 124.08 3ivy h ILE 277 Ca 0.16 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3ivy h ILE 277 Cb -0.05 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3ivy h ILE 277 CO -0.03 0.23 0.07 0.74 0.00 0.00 0.00 178.15 179.16 3ivy h THR 278 N 0.27 1.17 0.00 -0.27 2.02 -1.23 -1.10 112.91 113.78 3ivy h THR 278 Ca 0.09 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 3ivy h THR 278 Cb 0.29 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3ivy h THR 278 CO 0.00 0.17 -0.33 1.56 0.37 0.00 0.00 175.52 177.29 3ivy h GLN 279 N 0.17 0.00 -0.48 6.66 4.20 -1.17 -0.27 115.11 124.22 3ivy h GLN 279 Ca 0.07 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3ivy h GLN 279 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3ivy h GLN 279 CO -0.00 0.33 0.15 0.78 -0.67 0.00 0.00 178.83 179.41 3ivy h GLY 280 N 2.62 0.80 1.37 3.46 0.00 -0.16 -0.98 103.07 110.18 3ivy h GLY 280 Ca -0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 3ivy h GLY 280 CO 0.04 0.44 -0.32 1.98 0.00 0.00 0.00 176.54 178.69 3ivy h MET 281 N 0.63 0.71 -0.93 4.80 1.85 -0.76 -0.86 114.93 120.38 3ivy h MET 281 Ca 0.15 -0.32 0.03 0.00 -0.61 0.00 0.00 59.70 58.94 3ivy h MET 281 Cb 0.27 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.24 3ivy h MET 281 CO -0.00 0.93 0.61 0.52 -0.40 0.00 0.00 176.91 178.56 3ivy h MET 282 N 0.60 1.16 -0.55 0.39 2.07 -0.95 -0.62 114.93 117.03 3ivy h MET 282 Ca 0.07 -0.07 -0.10 0.00 -2.07 0.00 0.00 59.70 57.53 3ivy h MET 282 Cb 0.83 -0.26 -0.02 0.00 -1.87 0.00 0.00 31.60 30.28 3ivy h MET 282 CO 0.07 0.77 -0.05 0.00 1.07 0.00 0.00 176.91 178.77 3ivy h ALA 283 N 1.37 0.86 -0.06 6.32 0.00 -0.65 -1.60 119.26 125.51 3ivy h ALA 283 Ca 0.36 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ivy h ALA 283 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ivy h ALA 283 CO -0.11 0.66 -0.21 0.74 0.00 0.00 0.00 179.25 180.33 3ivy h PHE 284 N 0.90 0.10 -0.03 0.00 0.04 -0.63 0.27 116.94 117.59 3ivy h PHE 284 Ca 0.15 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.73 3ivy h PHE 284 Cb 0.60 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3ivy h PHE 284 CO 0.04 0.30 -0.77 0.00 -0.60 0.00 0.00 178.31 177.27 3ivy h ALA 285 N 1.71 0.63 0.00 2.45 0.00 -0.68 -2.97 119.26 120.40 3ivy h ALA 285 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3ivy h ALA 285 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ivy h ALA 285 CO 0.03 0.83 -0.18 1.49 0.00 0.00 0.00 179.25 181.42 3ivy h GLU 286 N 0.15 0.00 -2.25 0.00 4.57 -0.90 -3.38 114.58 112.78 3ivy h GLU 286 Ca -0.03 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.56 3ivy h GLU 286 Cb 1.35 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.54 3ivy h GLU 286 CO 0.12 0.00 -0.80 0.72 -1.18 0.00 0.00 179.01 177.87 3ivy n HIS 287 N -2.38 1.81 0.22 0.92 8.25 0.05 -4.97 115.22 119.12 3ivy n HIS 287 Ca 0.05 -3.89 0.09 0.00 -0.26 0.00 0.00 57.72 53.71 3ivy n HIS 287 Cb 0.45 -0.42 0.64 0.00 1.12 0.00 0.00 29.99 31.78 3ivy n HIS 287 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ivy h PRO 288 N 4.39 0.01 -0.09 -0.41 0.13 -1.74 -0.62 132.00 133.67 3ivy h PRO 288 Ca 0.16 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 3ivy h PRO 288 Cb 0.77 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3ivy h PRO 288 CO 0.65 0.01 -0.21 -0.44 -0.23 0.00 0.00 178.00 177.78 3ivy h ASP 289 N 0.01 0.14 0.23 1.44 3.32 -1.93 -1.02 116.42 118.63 3ivy h ASP 289 Ca 0.04 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3ivy h ASP 289 Cb 0.13 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ivy h ASP 289 CO -0.00 0.37 -0.47 1.56 -1.72 0.00 0.00 179.24 178.97 3ivy h GLN 290 N 0.14 0.28 -0.20 3.56 1.08 -1.46 -2.05 115.11 116.47 3ivy h GLN 290 Ca 0.03 -0.15 -0.18 0.00 -1.45 0.00 0.00 58.65 56.90 3ivy h GLN 290 Cb 0.46 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3ivy h GLN 290 CO 0.03 0.70 -0.59 2.35 -0.95 0.00 0.00 178.83 180.37 3ivy h TRP 291 N 0.23 0.82 -0.79 2.96 -0.00 -1.23 0.86 115.95 118.80 3ivy h TRP 291 Ca 0.01 -0.30 -0.04 0.00 -0.00 0.00 0.00 58.89 58.55 3ivy h TRP 291 Cb 0.92 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 29.90 3ivy h TRP 291 CO 0.02 1.07 0.32 0.93 -0.00 0.00 0.00 178.44 180.78 3ivy h GLU 292 N 0.48 1.18 -0.34 2.65 4.39 -1.12 -0.19 114.58 121.64 3ivy h GLU 292 Ca 0.00 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.39 3ivy h GLU 292 Cb 1.16 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 3ivy h GLU 292 CO 0.12 0.95 -0.17 1.25 -1.16 0.00 0.00 179.01 179.99 3ivy h LEU 293 N 1.15 0.73 -0.37 1.33 5.85 -1.23 -2.89 115.31 119.89 3ivy h LEU 293 Ca 0.26 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3ivy h LEU 293 Cb 0.21 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ivy h LEU 293 CO -0.02 0.98 0.20 0.22 -0.34 0.00 0.00 178.44 179.48 3ivy h TYR 294 N 0.48 0.37 -0.51 1.25 3.20 -0.46 -1.68 116.97 119.63 3ivy h TYR 294 Ca 0.07 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.01 3ivy h TYR 294 Cb 0.71 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 3ivy h TYR 294 CO 0.06 0.21 0.34 0.87 -1.64 0.00 0.00 178.16 178.00 3ivy h LYS 295 N 0.41 0.48 -0.01 1.82 1.57 -0.91 0.15 116.57 120.07 3ivy h LYS 295 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3ivy h LYS 295 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3ivy h LYS 295 CO -0.08 0.32 -0.04 0.87 -0.57 0.00 0.00 179.45 179.94 3ivy h LYS 296 N 0.49 0.04 0.00 3.15 1.57 -1.25 -3.41 116.57 117.17 3ivy h LYS 296 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3ivy h LYS 296 Cb 0.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3ivy h LYS 296 CO -0.06 0.70 0.00 1.33 -0.57 0.00 0.00 179.45 180.85 3ivy n VAL 297 N -4.73 0.00 -3.82 0.50 0.24 -0.67 -5.03 118.33 104.83 3ivy n VAL 297 Ca -0.09 -0.47 -0.35 0.00 -2.04 0.00 0.00 64.34 61.39 3ivy n VAL 297 Cb 0.35 1.03 0.03 0.00 -1.47 0.00 0.00 33.84 33.78 3ivy n VAL 297 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3ivy n ARG 298 N -0.50 -1.13 -2.34 7.34 5.12 0.50 -4.79 116.66 120.86 3ivy n ARG 298 Ca 0.00 0.35 -0.33 0.00 -1.93 0.00 0.00 57.85 55.94 3ivy n ARG 298 Cb 0.01 -3.73 -0.02 0.00 -1.16 0.00 0.00 32.46 27.55 3ivy n ARG 298 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ivy s PRO 299 N -6.43 3.67 0.53 5.56 0.04 -1.26 -4.90 135.00 132.21 3ivy s PRO 299 Ca 0.44 1.21 0.27 0.00 0.04 0.00 0.00 61.00 62.96 3ivy s PRO 299 Cb -0.18 -2.08 1.51 0.00 0.04 0.00 0.00 34.50 33.79 3ivy s PRO 299 CO 0.89 -0.52 2.11 1.49 0.04 0.00 0.00 177.00 181.01 3ivy h GLU 300 N 1.03 0.00 0.00 4.56 4.22 -1.90 -1.99 114.58 120.50 3ivy h GLU 300 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 3ivy h GLU 300 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3ivy h GLU 300 CO 0.59 0.10 0.00 0.25 -2.18 0.00 0.00 179.01 177.77 3ivy n THR 301 N -3.70 0.59 -0.09 0.32 -2.24 -1.26 -4.28 114.28 103.62 3ivy n THR 301 Ca -0.02 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 3ivy n THR 301 Cb 0.21 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 3ivy n THR 301 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ivy h ALA 302 N 2.55 0.37 -0.97 6.98 0.00 -1.16 -3.00 119.26 124.03 3ivy h ALA 302 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ivy h ALA 302 Cb 0.52 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3ivy h ALA 302 CO 0.00 0.16 0.62 0.00 0.00 0.00 0.00 179.25 180.03 3ivy h ALA 303 N 0.79 1.36 0.00 0.00 0.00 -1.79 0.68 119.26 120.30 3ivy h ALA 303 Ca 0.07 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3ivy h ALA 303 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ivy h ALA 303 CO 0.02 0.38 -0.61 -0.44 0.00 0.00 0.00 179.25 178.60 3ivy h ASP 304 N 1.10 0.00 0.20 0.00 3.32 -1.84 -0.67 116.42 118.54 3ivy h ASP 304 Ca 0.43 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.30 3ivy h ASP 304 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3ivy h ASP 304 CO -0.19 0.61 -0.68 -0.08 -1.72 0.00 0.00 179.24 177.18 3ivy h GLU 305 N 0.00 0.43 -0.73 3.56 4.57 -1.24 -0.26 114.58 120.92 3ivy h GLU 305 Ca -0.01 -0.33 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3ivy h GLU 305 Cb 1.27 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.89 3ivy h GLU 305 CO 0.08 0.96 0.48 0.82 -1.18 0.00 0.00 179.01 180.17 3ivy h ILE 306 N 0.31 1.18 -0.37 2.32 2.04 -0.57 0.50 117.51 122.91 3ivy h ILE 306 Ca -0.02 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.36 3ivy h ILE 306 Cb 1.25 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3ivy h ILE 306 CO 0.12 0.18 -0.33 0.58 0.00 0.00 0.00 178.15 178.69 3ivy h VAL 307 N 0.98 1.28 -0.29 1.67 2.07 -0.97 0.28 116.25 121.26 3ivy h VAL 307 Ca 0.27 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.30 3ivy h VAL 307 Cb -0.10 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3ivy h VAL 307 CO -0.06 0.50 0.17 -0.09 0.02 0.00 0.00 177.57 178.11 3ivy h ARG 308 N 0.69 0.34 -0.56 1.57 2.43 -0.83 0.26 114.38 118.27 3ivy h ARG 308 Ca 0.06 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3ivy h ARG 308 Cb 0.92 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3ivy h ARG 308 CO 0.09 0.23 0.19 2.35 -1.51 0.00 0.00 179.97 181.31 3ivy h TRP 309 N 0.35 0.89 -0.02 2.20 2.91 -0.75 -3.24 115.95 118.30 3ivy h TRP 309 Ca 0.11 -0.08 -0.22 0.00 1.13 0.00 0.00 58.89 59.83 3ivy h TRP 309 Cb -0.01 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.39 3ivy h TRP 309 CO -0.07 0.74 -0.92 0.00 -1.03 0.00 0.00 178.44 177.16 3ivy h ALA 310 N 1.05 0.37 -6.07 2.65 0.00 -0.81 -3.48 119.26 112.97 3ivy h ALA 310 Ca 0.18 -0.69 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 3ivy h ALA 310 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ivy h ALA 310 CO -0.01 0.79 -0.74 2.41 0.00 0.00 0.00 179.25 181.70 3ivy n THR 311 N -3.78 -2.15 0.22 0.00 -1.04 0.07 -4.81 114.28 102.79 3ivy n THR 311 Ca -0.07 -0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.00 3ivy n THR 311 Cb 0.82 -1.92 0.49 0.00 -1.82 0.00 0.00 70.33 67.90 3ivy n THR 311 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3ivy h PRO 312 N 0.25 0.00 -4.88 -2.82 0.11 -1.85 -3.30 132.00 119.50 3ivy h PRO 312 Ca -0.42 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.00 3ivy h PRO 312 Cb 0.93 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.86 3ivy h PRO 312 CO 0.24 0.25 -0.22 0.08 -0.21 0.00 0.00 178.00 178.13 3ivy s VAL 313 N -4.33 5.10 0.20 3.15 1.01 -1.26 -0.66 120.40 123.62 3ivy s VAL 313 Ca -0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 3ivy s VAL 313 Cb 0.14 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.55 3ivy s VAL 313 CO 0.68 -0.36 1.60 0.74 0.00 0.00 0.00 175.10 177.77 3ivy h THR 314 N 5.69 1.27 -1.89 3.92 2.02 -0.84 -3.41 112.91 119.67 3ivy h THR 314 Ca -0.27 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 3ivy h THR 314 Cb 1.12 1.20 -0.20 0.00 -1.74 0.00 0.00 68.15 68.52 3ivy h THR 314 CO 0.77 0.46 0.28 0.00 0.37 0.00 0.00 175.52 177.40 3ivy s ALA 315 N -4.61 -1.81 0.10 6.16 0.00 -1.22 -1.08 121.76 119.30 3ivy s ALA 315 Ca -0.10 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.31 3ivy s ALA 315 Cb 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3ivy s ALA 315 CO 0.85 -0.35 -0.11 -0.06 0.00 0.00 0.00 175.76 176.09 3ivy s PHE 316 N -1.11 1.12 0.40 0.00 0.08 -1.10 -4.66 117.98 112.72 3ivy s PHE 316 Ca -0.08 -0.64 0.07 0.00 0.12 0.00 0.00 56.93 56.41 3ivy s PHE 316 Cb -0.00 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.79 3ivy s PHE 316 CO 0.08 0.03 0.17 1.14 -0.10 0.00 0.00 175.22 176.53 3ivy s GLN 317 N -2.76 2.23 0.25 0.44 -2.07 0.50 -0.42 119.66 117.83 3ivy s GLN 317 Ca 0.06 -1.82 0.01 0.00 -1.82 0.00 0.00 55.36 51.79 3ivy s GLN 317 Cb -0.03 -2.00 -0.05 0.00 -1.09 0.00 0.00 33.01 29.84 3ivy s GLN 317 CO 0.01 -0.09 0.09 1.03 -1.32 0.00 0.00 175.29 175.01 3ivy s ARG 318 N -3.89 1.37 -0.05 9.60 1.81 -0.42 -4.47 118.95 122.89 3ivy s ARG 318 Ca 0.41 -1.73 0.05 0.00 -1.72 0.00 0.00 55.73 52.73 3ivy s ARG 318 Cb 0.03 -0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.31 3ivy s ARG 318 CO 0.22 -0.29 -0.21 0.99 -0.68 0.00 0.00 175.30 175.34 3ivy s THR 319 N -3.78 1.73 0.07 0.02 2.01 -0.23 -0.91 115.64 114.55 3ivy s THR 319 Ca 0.37 -0.88 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 3ivy s THR 319 Cb 0.08 -1.48 -0.07 0.00 0.01 0.00 0.00 72.50 71.04 3ivy s THR 319 CO 0.13 0.49 1.36 0.00 -0.69 0.00 0.00 174.62 175.91 3ivy s ALA 320 N -0.01 3.55 -0.81 7.40 0.00 -0.11 -0.64 121.76 131.14 3ivy s ALA 320 Ca -0.05 1.01 0.25 0.00 0.00 0.00 0.00 51.96 53.17 3ivy s ALA 320 Cb -0.13 -3.54 0.53 0.00 0.00 0.00 0.00 23.12 19.99 3ivy s ALA 320 CO 0.03 -0.66 1.45 1.28 0.00 0.00 0.00 175.76 177.86 3ivy n LEU 321 N 4.33 0.56 -3.71 0.00 4.77 0.65 0.03 117.00 123.64 3ivy n LEU 321 Ca 0.11 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 3ivy n LEU 321 Cb 0.43 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3ivy n LEU 321 CO 0.58 0.00 0.32 0.00 -1.33 0.00 0.00 177.39 176.97 3ivy s ARG 322 N -3.09 1.43 0.50 3.23 1.70 -1.26 -4.79 118.95 116.67 3ivy s ARG 322 Ca 0.09 -0.82 -0.22 0.00 -0.47 0.00 0.00 55.73 54.31 3ivy s ARG 322 Cb 0.15 0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 35.00 3ivy s ARG 322 CO 0.68 -0.62 1.08 -0.25 -1.08 0.00 0.00 175.30 175.11 3ivy n ASP 323 N -0.37 1.49 -3.70 -2.89 8.00 -1.26 -3.96 116.55 113.85 3ivy n ASP 323 Ca -0.10 0.96 -0.12 0.00 0.71 0.00 0.00 54.79 56.25 3ivy n ASP 323 Cb 0.62 -1.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.21 3ivy n ASP 323 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ivy s TYR 324 N -1.35 -0.60 -0.27 1.24 5.04 -0.66 -4.93 117.35 115.82 3ivy s TYR 324 Ca 0.68 1.35 -0.12 0.00 -2.44 0.00 0.00 57.07 56.54 3ivy s TYR 324 Cb -0.48 0.25 -0.05 0.00 0.35 0.00 0.00 41.96 42.03 3ivy s TYR 324 CO 0.53 -0.31 0.24 -2.00 -1.34 0.00 0.00 175.55 172.67 3ivy s GLU 325 N 0.77 3.98 -0.22 4.97 2.12 -1.26 -1.23 118.70 127.82 3ivy s GLU 325 Ca -0.04 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.09 3ivy s GLU 325 Cb -0.05 -3.65 0.05 0.00 0.26 0.00 0.00 34.13 30.73 3ivy s GLU 325 CO -0.06 -0.19 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.18 3ivy s LEU 326 N 1.79 2.80 -1.68 2.70 2.96 -0.33 -4.74 118.68 122.18 3ivy s LEU 326 Ca 0.09 -1.09 -0.14 0.00 -0.22 0.00 0.00 54.13 52.78 3ivy s LEU 326 Cb -0.16 -1.43 0.13 0.00 0.50 0.00 0.00 46.19 45.23 3ivy s LEU 326 CO 0.10 -0.14 0.54 -1.20 -1.32 0.00 0.00 176.35 174.34 3ivy n SER 327 N 4.55 -1.69 0.00 3.68 7.64 -1.26 -1.05 113.62 125.49 3ivy n SER 327 Ca -0.16 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.60 3ivy n SER 327 Cb 0.45 -2.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 3ivy n SER 327 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ivy n GLY 328 N -1.61 1.10 3.76 0.23 0.00 -1.26 -5.01 105.19 102.40 3ivy n GLY 328 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3ivy n GLY 328 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivy s VAL 329 N -2.50 4.95 -0.79 1.61 1.01 -0.21 -5.04 120.40 119.42 3ivy s VAL 329 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 3ivy s VAL 329 Cb 0.00 -3.15 0.13 0.00 0.00 0.00 0.00 36.38 33.35 3ivy s VAL 329 CO 0.00 0.58 0.95 -1.10 0.00 0.00 0.00 175.10 175.53 3ivy s GLN 330 N -0.66 3.39 0.31 2.72 -1.52 -1.26 -1.18 119.66 121.46 3ivy s GLN 330 Ca 0.12 -1.60 -0.27 0.00 -1.95 0.00 0.00 55.36 51.66 3ivy s GLN 330 Cb -0.12 -4.58 -0.10 0.00 -0.22 0.00 0.00 33.01 27.99 3ivy s GLN 330 CO 0.02 -1.66 0.98 0.42 -0.25 0.00 0.00 175.29 174.80 3ivy s ILE 331 N 2.56 4.02 0.15 1.08 -1.09 -0.36 -4.94 121.20 122.63 3ivy s ILE 331 Ca 0.24 1.76 0.09 0.00 -2.23 0.00 0.00 60.65 60.51 3ivy s ILE 331 Cb -0.12 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3ivy s ILE 331 CO -0.03 0.22 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.24 3ivy s LYS 332 N -1.88 1.99 0.11 2.79 -0.14 -1.26 -1.66 119.74 119.69 3ivy s LYS 332 Ca 0.49 -1.21 -0.36 0.00 -1.36 0.00 0.00 55.97 53.54 3ivy s LYS 332 Cb -0.22 -2.17 -0.16 0.00 -1.68 0.00 0.00 37.83 33.60 3ivy s LYS 332 CO 0.28 0.46 1.32 1.17 -0.76 0.00 0.00 175.35 177.81 3ivy n LYS 333 N 0.36 1.21 0.00 1.68 4.81 -1.25 -1.61 118.16 123.35 3ivy n LYS 333 Ca -0.13 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3ivy n LYS 333 Cb 0.54 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.54 3ivy n LYS 333 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ivy n GLY 334 N 2.46 2.21 3.82 3.14 0.00 0.11 -4.96 105.19 111.96 3ivy n GLY 334 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ivy n GLY 334 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ivy s GLN 335 N -0.65 4.10 0.19 1.61 -0.21 -0.63 -4.72 119.66 119.35 3ivy s GLN 335 Ca 0.00 1.15 -0.15 0.00 0.02 0.00 0.00 55.36 56.38 3ivy s GLN 335 Cb 0.00 -2.16 -0.07 0.00 1.00 0.00 0.00 33.01 31.78 3ivy s GLN 335 CO 0.00 -0.15 0.60 1.03 -2.12 0.00 0.00 175.29 174.65 3ivy s ARG 336 N -3.32 4.00 -0.06 2.91 0.52 -1.26 -0.94 118.95 120.81 3ivy s ARG 336 Ca 0.63 0.54 0.05 0.00 -0.52 0.00 0.00 55.73 56.43 3ivy s ARG 336 Cb -0.11 -2.84 -0.00 0.00 0.52 0.00 0.00 34.95 32.52 3ivy s ARG 336 CO 0.17 0.41 -0.22 0.14 0.02 0.00 0.00 175.30 175.83 3ivy s VAL 337 N -1.57 1.80 -0.24 3.52 -7.23 -0.09 -1.05 120.40 115.54 3ivy s VAL 337 Ca 0.41 -0.91 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 3ivy s VAL 337 Cb -0.14 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.26 3ivy s VAL 337 CO 0.20 0.51 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.76 3ivy s VAL 338 N 0.04 3.17 -0.58 1.32 1.01 0.10 -1.30 120.40 124.16 3ivy s VAL 338 Ca -0.07 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 3ivy s VAL 338 Cb -0.14 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.75 3ivy s VAL 338 CO 0.04 0.30 1.06 -0.04 0.00 0.00 0.00 175.10 176.46 3ivy s MET 339 N 1.41 3.39 -0.93 2.72 -1.94 0.44 -0.76 119.30 123.63 3ivy s MET 339 Ca 0.03 -0.07 -0.20 0.00 -1.71 0.00 0.00 55.69 53.74 3ivy s MET 339 Cb -0.15 -4.05 0.11 0.00 2.01 0.00 0.00 34.83 32.74 3ivy s MET 339 CO -0.04 -1.61 1.20 -0.06 -0.01 0.00 0.00 175.02 174.50 3ivy s PHE 340 N 4.45 2.94 0.34 -0.03 0.08 -0.45 -2.69 117.98 122.62 3ivy s PHE 340 Ca 0.35 -1.19 0.09 0.00 0.12 0.00 0.00 56.93 56.30 3ivy s PHE 340 Cb -0.10 -4.39 0.82 0.00 -0.57 0.00 0.00 43.02 38.78 3ivy s PHE 340 CO 0.21 -1.62 1.81 1.88 -0.10 0.00 0.00 175.22 177.40 3ivy h TYR 341 N 9.13 0.92 -0.15 0.36 0.05 -1.36 -0.66 116.97 125.26 3ivy h TYR 341 Ca 0.14 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 3ivy h TYR 341 Cb 1.02 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 3ivy h TYR 341 CO 1.18 0.24 -0.10 -0.09 -1.05 0.00 0.00 178.16 178.34 3ivy h ARG 342 N 0.69 0.22 0.02 4.88 9.65 -1.73 0.19 114.38 128.30 3ivy h ARG 342 Ca 0.54 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.34 3ivy h ARG 342 Cb 0.93 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 3ivy h ARG 342 CO -0.31 0.33 -0.15 1.03 2.80 0.00 0.00 179.97 183.68 3ivy h SER 343 N 0.21 0.10 -0.45 -3.80 0.87 -1.47 -3.36 113.55 105.65 3ivy h SER 343 Ca 0.05 -0.93 0.03 0.00 -1.23 0.00 0.00 61.79 59.71 3ivy h SER 343 Cb 0.31 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 3ivy h SER 343 CO 0.02 1.01 0.30 0.00 -0.53 0.00 0.00 176.83 177.63 3ivy h ALA 344 N 0.08 1.81 0.00 6.23 0.00 -0.91 -1.14 119.26 125.33 3ivy h ALA 344 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ivy h ALA 344 Cb 1.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ivy h ALA 344 CO 0.03 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.51 3ivy n ASN 345 N -4.48 0.00 -0.22 0.00 3.02 0.03 -2.35 115.26 111.27 3ivy n ASN 345 Ca 0.05 -0.28 0.08 0.00 -0.03 0.00 0.00 54.58 54.40 3ivy n ASN 345 Cb 0.15 -0.14 0.12 0.00 -0.61 0.00 0.00 39.78 39.29 3ivy n ASN 345 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ivy n PHE 346 N -1.14 0.00 -2.09 3.10 3.72 -0.44 -4.97 117.46 115.64 3ivy n PHE 346 Ca 0.11 -0.83 -0.43 0.00 -0.05 0.00 0.00 57.45 56.25 3ivy n PHE 346 Cb 0.10 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 3ivy n PHE 346 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ivy s ASP 347 N -2.52 6.36 0.52 4.37 -1.08 -0.99 -4.87 116.67 118.46 3ivy s ASP 347 Ca 0.26 1.66 0.29 0.00 -0.52 0.00 0.00 52.55 54.25 3ivy s ASP 347 Cb 0.23 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.60 3ivy s ASP 347 CO 0.01 -1.27 2.04 -0.33 0.52 0.00 0.00 175.17 176.15 3ivy h GLU 348 N 10.82 0.00 0.00 4.34 3.07 -1.92 -0.99 114.58 129.90 3ivy h GLU 348 Ca -0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3ivy h GLU 348 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3ivy h GLU 348 CO 1.00 0.11 0.00 0.39 -1.40 0.00 0.00 179.01 179.11 3ivy n GLU 349 N -3.47 0.07 -0.04 2.33 1.02 -1.26 -4.21 120.64 115.07 3ivy n GLU 349 Ca -0.01 0.08 -0.06 0.00 -0.02 0.00 0.00 57.16 57.15 3ivy n GLU 349 Cb 0.27 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.06 3ivy n GLU 349 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ivy n VAL 350 N -1.71 0.50 -4.38 2.62 0.31 -0.50 -4.98 118.33 110.19 3ivy n VAL 350 Ca 0.06 -0.20 -0.34 0.00 -0.01 0.00 0.00 64.34 63.86 3ivy n VAL 350 Cb 0.35 -0.81 -0.11 0.00 -0.91 0.00 0.00 33.84 32.36 3ivy n VAL 350 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ivy s PHE 351 N -2.17 3.06 0.10 3.52 0.08 -0.50 -5.00 117.98 117.07 3ivy s PHE 351 Ca -0.11 -0.16 -0.31 0.00 0.12 0.00 0.00 56.93 56.47 3ivy s PHE 351 Cb 0.03 -1.92 -0.08 0.00 -0.57 0.00 0.00 43.02 40.48 3ivy s PHE 351 CO 0.21 0.09 1.40 -1.14 -0.10 0.00 0.00 175.22 175.68 3ivy s GLN 352 N 0.07 4.31 -1.10 0.44 0.74 -1.26 -3.64 119.66 119.22 3ivy s GLN 352 Ca 0.01 2.07 -0.22 0.00 0.05 0.00 0.00 55.36 57.27 3ivy s GLN 352 Cb -0.13 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.68 3ivy s GLN 352 CO 0.02 -0.47 0.73 -0.25 -0.55 0.00 0.00 175.29 174.77 3ivy n ASP 353 N 4.22 -5.02 0.26 6.67 8.00 -1.26 -4.83 116.55 124.58 3ivy n ASP 353 Ca 0.12 -1.06 0.11 0.00 0.71 0.00 0.00 54.79 54.67 3ivy n ASP 353 Cb 0.42 -2.67 0.70 0.00 -0.02 0.00 0.00 41.12 39.55 3ivy n ASP 353 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3ivy h PRO 354 N -1.80 0.00 -0.47 -0.24 0.13 -1.90 -1.29 132.00 126.43 3ivy h PRO 354 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3ivy h PRO 354 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3ivy h PRO 354 CO 0.47 0.10 0.00 1.19 -0.23 0.00 0.00 178.00 179.53 3ivy n PHE 355 N -3.96 0.19 -4.38 1.56 3.72 -1.26 -4.74 117.46 108.59 3ivy n PHE 355 Ca -0.02 -0.08 -0.34 0.00 -0.05 0.00 0.00 57.45 56.96 3ivy n PHE 355 Cb 0.19 -0.07 -0.13 0.00 -0.94 0.00 0.00 39.48 38.53 3ivy n PHE 355 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ivy s THR 356 N -1.59 3.68 -0.34 4.37 2.01 -0.49 -5.06 115.64 118.22 3ivy s THR 356 Ca 0.07 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 3ivy s THR 356 Cb 0.04 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.95 3ivy s THR 356 CO 0.03 0.48 1.00 0.12 -0.69 0.00 0.00 174.62 175.56 3ivy s PHE 357 N 0.57 3.13 -0.31 4.92 5.36 -1.26 -5.00 117.98 125.39 3ivy s PHE 357 Ca -0.04 1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.94 3ivy s PHE 357 Cb -0.15 -3.64 0.10 0.00 -0.34 0.00 0.00 43.02 39.00 3ivy s PHE 357 CO 0.03 -0.77 0.10 1.21 -1.46 0.00 0.00 175.22 174.33 3ivy s ASN 358 N 1.74 3.95 0.00 6.13 2.47 -1.26 -4.93 114.94 123.04 3ivy s ASN 358 Ca 0.42 -1.60 0.13 0.00 0.42 0.00 0.00 52.86 52.23 3ivy s ASN 358 Cb -0.12 -0.79 0.72 0.00 -1.45 0.00 0.00 41.25 39.61 3ivy s ASN 358 CO 0.16 -0.42 1.30 2.30 -3.72 0.00 0.00 177.10 176.73 3ivy n ILE 359 N 4.89 0.40 -0.93 -5.21 -5.35 -1.26 -1.00 119.36 110.90 3ivy n ILE 359 Ca -0.02 0.10 0.08 0.00 -0.27 0.00 0.00 62.75 62.64 3ivy n ILE 359 Cb 0.42 -0.88 0.28 0.00 -1.74 0.00 0.00 39.64 37.72 3ivy n ILE 359 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ivy n LEU 360 N -1.18 4.15 -4.73 7.28 4.77 -1.26 -2.74 117.00 123.29 3ivy n LEU 360 Ca 0.08 -2.93 -0.42 0.00 -0.03 0.00 0.00 56.01 52.70 3ivy n LEU 360 Cb 0.08 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 3ivy n LEU 360 CO 0.09 0.67 1.32 -0.60 -1.33 0.00 0.00 177.39 177.55 3ivy s ARG 361 N -2.69 4.14 -0.28 3.23 3.52 -0.17 -4.95 118.95 121.74 3ivy s ARG 361 Ca 0.43 2.57 -0.18 0.00 -0.13 0.00 0.00 55.73 58.42 3ivy s ARG 361 Cb 0.34 -3.07 0.09 0.00 -1.56 0.00 0.00 34.95 30.75 3ivy s ARG 361 CO 0.11 -0.70 0.75 1.21 -0.81 0.00 0.00 175.30 175.85 3ivy s ASN 362 N 0.99 -0.83 1.05 -2.12 2.47 -1.26 -4.41 114.94 110.83 3ivy s ASN 362 Ca 0.71 1.38 -0.13 0.00 0.42 0.00 0.00 52.86 55.24 3ivy s ASN 362 Cb -0.48 1.36 0.22 0.00 -1.45 0.00 0.00 41.25 40.89 3ivy s ASN 362 CO 0.36 -0.22 1.09 -2.84 -3.72 0.00 0.00 177.10 171.76 3ivy s PRO 363 N 1.29 -0.01 -0.42 0.43 0.02 -1.26 -5.07 135.00 129.99 3ivy s PRO 363 Ca -0.07 0.46 0.07 0.00 0.02 0.00 0.00 61.00 61.47 3ivy s PRO 363 Cb -0.05 -1.69 0.23 0.00 0.02 0.00 0.00 34.50 33.01 3ivy s PRO 363 CO -0.15 -3.01 0.55 -1.71 -0.33 0.00 0.00 177.00 172.35 3ivy n ASN 364 N -4.36 -0.65 -2.06 2.53 2.85 -1.26 -4.97 115.26 107.34 3ivy n ASN 364 Ca 0.05 -2.73 -0.15 0.00 -0.11 0.00 0.00 54.58 51.64 3ivy n ASN 364 Cb 0.57 -0.11 -0.09 0.00 1.24 0.00 0.00 39.78 41.40 3ivy n ASN 364 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3ivy n PRO 365 N 1.84 1.95 -1.28 1.20 -0.04 -1.26 -4.94 135.00 132.47 3ivy n PRO 365 Ca 0.21 -1.33 -0.30 0.00 -0.04 0.00 0.00 63.50 62.04 3ivy n PRO 365 Cb 0.54 -1.85 0.11 0.00 -0.04 0.00 0.00 33.50 32.25 3ivy n PRO 365 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3ivy s HIS 366 N -0.30 2.53 -0.27 0.54 -3.43 -1.26 -4.98 115.29 108.12 3ivy s HIS 366 Ca 0.50 1.40 0.09 0.00 -0.80 0.00 0.00 55.06 56.25 3ivy s HIS 366 Cb 0.28 -3.09 0.48 0.00 -1.43 0.00 0.00 32.58 28.83 3ivy s HIS 366 CO -0.07 -1.99 1.39 1.33 -2.00 0.00 0.00 174.74 173.39 3ivy n VAL 367 N -3.63 2.45 0.25 -5.38 0.24 -1.26 -4.69 118.33 106.31 3ivy n VAL 367 Ca 0.08 -2.95 0.08 0.00 -2.04 0.00 0.00 64.34 59.51 3ivy n VAL 367 Cb 0.54 -0.31 0.62 0.00 -1.47 0.00 0.00 33.84 33.23 3ivy n VAL 367 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ivy h GLY 368 N 1.02 0.00 -3.54 7.63 0.00 -1.90 -0.40 103.07 105.87 3ivy h GLY 368 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3ivy h GLY 368 CO 0.27 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.50 3ivy n PHE 369 N -4.48 2.06 0.00 5.60 3.72 -1.26 -4.73 117.46 118.37 3ivy n PHE 369 Ca -0.03 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 3ivy n PHE 369 Cb 0.12 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 3ivy n PHE 369 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ivy n GLY 370 N 0.66 0.26 3.81 1.37 0.00 -0.16 -2.65 105.19 108.48 3ivy n GLY 370 Ca 0.28 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3ivy n GLY 370 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ivy s GLY 371 N -0.74 2.46 0.35 -0.02 0.00 -1.26 -4.49 107.32 103.62 3ivy s GLY 371 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 3ivy s GLY 371 CO 0.00 0.76 1.54 -1.30 0.00 0.00 0.00 173.10 174.10 3ivy n THR 372 N -0.56 1.63 -3.76 0.90 -2.24 -1.26 -4.49 114.28 104.50 3ivy n THR 372 Ca 0.07 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3ivy n THR 372 Cb 0.53 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 3ivy n THR 372 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ivy n GLY 373 N 1.08 -1.01 0.29 3.38 0.00 -1.26 -3.63 105.19 104.04 3ivy n GLY 373 Ca 0.04 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.83 3ivy n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivy h ALA 374 N 0.00 1.49 -0.53 4.61 0.00 -1.90 -2.49 119.26 120.45 3ivy h ALA 374 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ivy h ALA 374 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ivy h ALA 374 CO 0.00 0.38 0.00 0.72 0.00 0.00 0.00 179.25 180.35 3ivy n HIS 375 N -4.35 1.18 -1.62 0.00 -0.00 -1.26 -5.02 115.22 104.14 3ivy n HIS 375 Ca 0.02 -0.63 -0.44 0.00 -0.00 0.00 0.00 57.72 56.68 3ivy n HIS 375 Cb 0.17 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.99 29.95 3ivy n HIS 375 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 3ivy n TYR 376 N 0.75 1.55 -1.71 4.41 9.36 -0.94 -4.63 117.16 125.95 3ivy n TYR 376 Ca 0.22 0.65 -0.56 0.00 3.32 0.00 0.00 57.90 61.53 3ivy n TYR 376 Cb 0.79 -2.30 -0.07 0.00 -0.63 0.00 0.00 39.34 37.14 3ivy n TYR 376 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ivy h ILE 378 N 5.30 0.00 -0.43 0.00 2.10 -1.94 -3.12 117.51 119.42 3ivy h ILE 378 Ca -0.47 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 64.73 3ivy h ILE 378 Cb 1.31 1.72 0.00 0.00 -1.09 0.00 0.00 36.82 38.76 3ivy h ILE 378 CO 0.96 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.64 3ivy n GLY 379 N 0.86 1.20 0.19 8.18 0.00 -1.26 -4.59 105.19 109.76 3ivy n GLY 379 Ca 0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 3ivy n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivy h ALA 380 N 3.73 0.51 -0.39 4.61 0.00 -1.94 0.53 119.26 126.32 3ivy h ALA 380 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3ivy h ALA 380 Cb 0.67 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ivy h ALA 380 CO 0.03 0.10 -0.08 -0.91 0.00 0.00 0.00 179.25 178.40 3ivy h ASN 381 N 0.50 0.64 -0.75 0.00 2.35 -1.88 -0.31 115.58 116.12 3ivy h ASN 381 Ca 0.13 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3ivy h ASN 381 Cb 0.17 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3ivy h ASN 381 CO -0.01 0.76 0.23 0.25 -1.65 0.00 0.00 177.43 177.01 3ivy h LEU 382 N 0.61 1.10 -0.29 1.61 5.85 -1.65 -1.40 115.31 121.13 3ivy h LEU 382 Ca 0.11 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3ivy h LEU 382 Cb 0.50 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3ivy h LEU 382 CO 0.03 1.02 0.02 0.00 -0.34 0.00 0.00 178.44 179.16 3ivy h ALA 383 N 1.12 0.39 -0.94 1.25 0.00 -0.62 -0.82 119.26 119.64 3ivy h ALA 383 Ca 0.24 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ivy h ALA 383 Cb 0.31 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ivy h ALA 383 CO -0.01 0.12 0.62 0.00 0.00 0.00 0.00 179.25 179.98 3ivy h ARG 384 N 0.31 1.18 -0.29 0.00 3.08 -0.92 -0.27 114.38 117.46 3ivy h ARG 384 Ca 0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3ivy h ARG 384 Cb 0.40 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3ivy h ARG 384 CO 0.01 0.78 0.01 1.98 -1.07 0.00 0.00 179.97 181.68 3ivy h MET 385 N 1.21 0.50 -0.35 0.04 4.05 -0.98 0.11 114.93 119.50 3ivy h MET 385 Ca 0.37 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.66 3ivy h MET 385 Cb -0.03 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 3ivy h MET 385 CO -0.11 0.64 0.16 1.15 0.23 0.00 0.00 176.91 178.99 3ivy h THR 386 N 0.29 0.96 -0.20 -0.77 2.02 -0.66 -0.96 112.91 113.59 3ivy h THR 386 Ca 0.08 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3ivy h THR 386 Cb 0.41 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3ivy h THR 386 CO 0.01 0.06 0.13 0.40 0.37 0.00 0.00 175.52 176.50 3ivy h ILE 387 N 0.33 1.05 -0.63 3.11 2.04 -0.90 -1.76 117.51 120.76 3ivy h ILE 387 Ca 0.15 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3ivy h ILE 387 Cb 0.08 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3ivy h ILE 387 CO -0.12 0.05 0.34 0.78 0.00 0.00 0.00 178.15 179.20 3ivy h ASN 388 N 0.27 0.79 -0.24 1.72 2.35 -0.51 -1.76 115.58 118.20 3ivy h ASN 388 Ca 0.07 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3ivy h ASN 388 Cb -0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3ivy h ASN 388 CO -0.02 0.66 0.08 -0.07 -1.65 0.00 0.00 177.43 176.44 3ivy h LEU 389 N 0.86 0.35 -0.36 1.61 3.38 -1.02 -1.02 115.31 119.11 3ivy h LEU 389 Ca 0.22 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3ivy h LEU 389 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ivy h LEU 389 CO -0.03 0.45 -0.08 -0.29 0.09 0.00 0.00 178.44 178.58 3ivy h ILE 390 N 0.22 1.28 -0.22 1.22 6.09 -1.18 -1.98 117.51 122.94 3ivy h ILE 390 Ca 0.08 -1.13 -0.09 0.00 -1.37 0.00 0.00 64.86 62.35 3ivy h ILE 390 Cb 0.22 1.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 3ivy h ILE 390 CO -0.00 0.37 -0.24 -0.26 -3.07 0.00 0.00 178.15 174.95 3ivy h PHE 391 N 0.48 0.45 -0.69 2.19 0.04 -1.30 0.12 116.94 118.23 3ivy h PHE 391 Ca 0.09 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3ivy h PHE 391 Cb 0.58 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.58 3ivy h PHE 391 CO 0.05 0.62 0.35 -0.91 -0.60 0.00 0.00 178.31 177.82 3ivy h ASN 392 N 0.37 0.88 -0.53 2.17 2.35 -1.07 -0.75 115.58 118.99 3ivy h ASN 392 Ca 0.06 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 3ivy h ASN 392 Cb 0.62 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3ivy h ASN 392 CO 0.04 0.74 -0.14 0.00 -1.65 0.00 0.00 177.43 176.42 3ivy h ALA 393 N 1.17 0.73 -0.40 -0.83 0.00 -0.82 -0.36 119.26 118.75 3ivy h ALA 393 Ca 0.24 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3ivy h ALA 393 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ivy h ALA 393 CO -0.03 0.67 0.10 0.28 0.00 0.00 0.00 179.25 180.26 3ivy h VAL 394 N 0.90 1.23 -0.45 0.00 2.07 -0.53 -1.17 116.25 118.29 3ivy h VAL 394 Ca 0.13 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3ivy h VAL 394 Cb 0.72 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3ivy h VAL 394 CO 0.05 0.27 0.30 0.00 0.02 0.00 0.00 177.57 178.21 3ivy h ALA 395 N 0.95 1.72 0.07 1.67 0.00 -0.93 0.17 119.26 122.92 3ivy h ALA 395 Ca 0.13 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 3ivy h ALA 395 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ivy h ALA 395 CO 0.00 0.25 -1.15 -0.44 0.00 0.00 0.00 179.25 177.91 3ivy h ASP 396 N 0.57 0.24 0.00 0.00 3.32 -0.59 -3.33 116.42 116.63 3ivy h ASP 396 Ca 0.17 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 3ivy h ASP 396 Cb -0.02 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3ivy h ASP 396 CO -0.04 1.20 -1.46 1.41 -1.72 0.00 0.00 179.24 178.63 3ivy n HIS 397 N -3.45 0.00 -3.18 4.55 8.25 -0.49 -4.76 115.22 116.14 3ivy n HIS 397 Ca -0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.20 3ivy n HIS 397 Cb 0.99 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 31.74 3ivy n HIS 397 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ivy n MET 398 N -2.14 1.12 0.24 -0.41 0.00 0.58 -4.82 117.12 111.70 3ivy n MET 398 Ca -0.09 -3.50 0.17 0.00 0.00 0.00 0.00 57.70 54.28 3ivy n MET 398 Cb 0.60 -1.60 0.84 0.00 0.00 0.00 0.00 33.22 33.06 3ivy n MET 398 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 3ivy h PRO 399 N 3.41 0.00 -0.28 3.17 0.13 -1.67 -2.82 132.00 133.94 3ivy h PRO 399 Ca 0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.11 3ivy h PRO 399 Cb 0.89 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.95 3ivy h PRO 399 CO 0.53 0.00 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.95 3ivy n ASP 400 N -2.68 2.64 -4.75 1.44 8.00 -1.26 -5.04 116.55 114.90 3ivy n ASP 400 Ca -0.01 -3.61 -0.36 0.00 0.71 0.00 0.00 54.79 51.51 3ivy n ASP 400 Cb 0.11 -0.60 0.05 0.00 -0.02 0.00 0.00 41.12 40.66 3ivy n ASP 400 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3ivy s LEU 401 N -3.15 3.65 -0.05 0.64 2.34 -1.07 -3.65 118.68 117.39 3ivy s LEU 401 Ca 0.43 2.49 -0.06 0.00 0.06 0.00 0.00 54.13 57.05 3ivy s LEU 401 Cb 0.38 -4.59 0.01 0.00 -0.56 0.00 0.00 46.19 41.44 3ivy s LEU 401 CO 0.01 -1.73 0.15 -0.54 -1.06 0.00 0.00 176.35 173.18 3ivy s LYS 402 N -3.32 0.23 0.66 1.48 1.02 -0.31 -4.91 119.74 114.60 3ivy s LYS 402 Ca 0.79 0.11 -0.15 0.00 0.02 0.00 0.00 55.97 56.74 3ivy s LYS 402 Cb -0.33 0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.08 3ivy s LYS 402 CO 0.36 -0.04 1.11 -1.25 -0.92 0.00 0.00 175.35 174.61 3ivy s PRO 403 N -0.17 2.80 -0.22 -1.68 0.04 -1.26 -0.11 135.00 134.40 3ivy s PRO 403 Ca -0.03 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.42 3ivy s PRO 403 Cb -0.02 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 3ivy s PRO 403 CO 0.00 -1.25 -0.21 -0.89 0.04 0.00 0.00 177.00 174.70 3ivy n ILE 404 N -2.40 1.27 -4.03 0.56 5.41 -0.05 -4.70 119.36 115.42 3ivy n ILE 404 Ca 0.10 -0.47 -0.13 0.00 1.00 0.00 0.00 62.75 63.25 3ivy n ILE 404 Cb 0.52 -1.33 -0.03 0.00 -0.71 0.00 0.00 39.64 38.09 3ivy n ILE 404 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3ivy s SER 405 N -6.23 0.59 0.48 4.38 1.04 -1.18 -5.05 113.70 107.74 3ivy s SER 405 Ca -0.30 -1.34 -0.21 0.00 0.48 0.00 0.00 55.95 54.58 3ivy s SER 405 Cb 0.08 0.68 -0.08 0.00 0.10 0.00 0.00 66.02 66.80 3ivy s SER 405 CO 0.50 -1.33 1.07 0.00 0.98 0.00 0.00 173.24 174.47 3ivy s ALA 406 N -3.11 2.89 0.50 5.32 0.00 -1.26 -4.30 121.76 121.80 3ivy s ALA 406 Ca 0.27 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.71 3ivy s ALA 406 Cb -0.01 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 3ivy s ALA 406 CO 0.17 -0.43 1.38 -2.30 0.00 0.00 0.00 175.76 174.58 3ivy n PRO 407 N -0.79 1.93 -3.39 0.00 -0.02 -1.26 -4.68 135.00 126.79 3ivy n PRO 407 Ca 0.09 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 3ivy n PRO 407 Cb 0.51 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 3ivy n PRO 407 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ivy s GLU 408 N -2.67 3.71 0.49 -0.52 2.02 -0.29 -5.00 118.70 116.44 3ivy s GLU 408 Ca 0.67 -0.26 -0.10 0.00 0.02 0.00 0.00 54.97 55.30 3ivy s GLU 408 Cb -0.43 -3.76 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 3ivy s GLU 408 CO 0.53 -0.45 0.86 1.03 0.02 0.00 0.00 175.26 177.25 3ivy s ARG 409 N 2.06 3.69 0.11 1.61 0.52 -1.26 0.10 118.95 125.78 3ivy s ARG 409 Ca 0.13 0.51 -0.23 0.00 -0.52 0.00 0.00 55.73 55.63 3ivy s ARG 409 Cb -0.16 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.95 3ivy s ARG 409 CO 0.11 -0.24 0.69 -1.17 0.02 0.00 0.00 175.30 174.71 3ivy s LEU 410 N -4.44 4.54 -0.81 2.53 2.96 0.37 -4.72 118.68 119.11 3ivy s LEU 410 Ca 0.52 1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 55.63 3ivy s LEU 410 Cb -0.10 -3.11 0.05 0.00 0.50 0.00 0.00 46.19 43.52 3ivy s LEU 410 CO 0.40 0.20 1.26 -0.60 -1.32 0.00 0.00 176.35 176.30 3ivy s ARG 411 N -0.94 3.31 -0.08 1.98 3.52 -1.26 -3.88 118.95 121.60 3ivy s ARG 411 Ca 0.33 -0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 55.15 3ivy s ARG 411 Cb -0.21 -4.54 0.03 0.00 -1.56 0.00 0.00 34.95 28.66 3ivy s ARG 411 CO 0.23 -2.09 0.31 0.45 -0.81 0.00 0.00 175.30 173.39 3ivy s SER 412 N 4.05 -0.27 0.00 -2.12 0.15 -1.26 -2.89 113.70 111.35 3ivy s SER 412 Ca 0.36 0.41 0.18 0.00 0.70 0.00 0.00 55.95 57.59 3ivy s SER 412 Cb -0.07 0.52 0.50 0.00 -1.71 0.00 0.00 66.02 65.26 3ivy s SER 412 CO 0.06 -0.25 1.42 0.61 1.20 0.00 0.00 173.24 176.28 3ivy n GLY 413 N 2.23 1.58 0.00 9.45 0.00 -1.26 -4.50 105.19 112.69 3ivy n GLY 413 Ca -0.17 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3ivy n GLY 413 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ivy n TRP 414 N 1.13 0.00 -3.63 1.61 4.27 -1.26 -4.68 117.44 114.88 3ivy n TRP 414 Ca 0.19 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.43 3ivy n TRP 414 Cb 0.47 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.36 3ivy n TRP 414 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3ivy s LEU 415 N -0.34 4.34 -0.87 5.67 1.43 -1.26 -0.44 118.68 127.20 3ivy s LEU 415 Ca 0.00 0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 3ivy s LEU 415 Cb 0.00 -2.33 0.23 0.00 0.03 0.00 0.00 46.19 44.12 3ivy s LEU 415 CO 0.00 0.25 0.81 0.21 0.23 0.00 0.00 176.35 177.85 3ivy s ASN 416 N -0.33 6.83 0.11 2.29 2.47 0.17 -4.56 114.94 121.91 3ivy s ASN 416 Ca 0.17 -2.82 0.05 0.00 0.42 0.00 0.00 52.86 50.68 3ivy s ASN 416 Cb -0.14 -2.21 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 3ivy s ASN 416 CO 0.06 -0.53 -0.00 -0.83 -3.72 0.00 0.00 177.10 172.08 3ivy s GLY 417 N 2.02 1.88 -0.18 1.21 0.00 -1.26 -4.75 107.32 106.23 3ivy s GLY 417 Ca 0.20 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.76 3ivy s GLY 417 CO -0.09 -1.15 -0.19 -0.42 0.00 0.00 0.00 173.10 171.25 3ivy s ILE 418 N -1.38 2.04 0.06 0.90 -1.09 -1.26 -0.47 121.20 120.00 3ivy s ILE 418 Ca 0.26 -0.96 -0.15 0.00 -2.23 0.00 0.00 60.65 57.57 3ivy s ILE 418 Cb -0.11 -1.86 -0.25 0.00 -1.58 0.00 0.00 42.46 38.65 3ivy s ILE 418 CO 0.18 0.50 1.15 0.11 -1.23 0.00 0.00 174.94 175.66 3ivy h LYS 419 N 7.94 0.66 -2.94 2.79 1.57 -0.62 -3.47 116.57 122.49 3ivy h LYS 419 Ca -0.44 -0.76 -0.08 0.00 -1.87 0.00 0.00 60.65 57.50 3ivy h LYS 419 Cb 1.13 0.23 -0.17 0.00 0.08 0.00 0.00 32.23 33.50 3ivy h LYS 419 CO 0.62 1.33 -0.09 -1.01 -0.57 0.00 0.00 179.45 179.73 3ivy s HIS 420 N -3.19 -0.30 -0.29 -1.35 3.76 -1.22 -4.79 115.29 107.92 3ivy s HIS 420 Ca -0.10 0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 55.10 3ivy s HIS 420 Cb 0.06 0.23 0.17 0.00 1.11 0.00 0.00 32.58 34.15 3ivy s HIS 420 CO 0.92 -0.56 0.56 -0.46 -0.85 0.00 0.00 174.74 174.35 3ivy s TRP 421 N -2.25 -1.42 -0.07 1.40 -0.00 -1.26 -1.14 118.94 114.20 3ivy s TRP 421 Ca -0.07 1.58 -0.28 0.00 -0.00 0.00 0.00 56.10 57.34 3ivy s TRP 421 Cb -0.01 0.47 -0.02 0.00 -0.00 0.00 0.00 33.47 33.91 3ivy s TRP 421 CO -0.01 -0.83 0.92 -1.14 -0.00 0.00 0.00 176.95 175.89 3ivy s GLN 422 N 2.80 4.46 0.04 5.86 2.00 -1.26 -0.49 119.66 133.06 3ivy s GLN 422 Ca 0.17 1.26 0.03 0.00 -2.00 0.00 0.00 55.36 54.82 3ivy s GLN 422 Cb -0.15 -3.50 -0.02 0.00 0.80 0.00 0.00 33.01 30.14 3ivy s GLN 422 CO -0.20 -0.15 -0.10 0.54 -0.50 0.00 0.00 175.29 174.89 3ivy s VAL 423 N 1.43 0.74 -0.42 1.34 0.11 -0.06 -0.87 120.40 122.67 3ivy s VAL 423 Ca 0.46 -0.92 -0.17 0.00 -2.93 0.00 0.00 61.98 58.42 3ivy s VAL 423 Cb -0.19 -0.72 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3ivy s VAL 423 CO 0.21 -0.16 0.42 -0.62 -3.33 0.00 0.00 175.10 171.62 3ivy s ASP 424 N -1.20 6.19 0.33 3.54 2.15 0.84 -1.56 116.67 126.95 3ivy s ASP 424 Ca -0.04 -0.68 0.15 0.00 0.43 0.00 0.00 52.55 52.41 3ivy s ASP 424 Cb -0.08 -2.22 0.52 0.00 -0.30 0.00 0.00 42.92 40.84 3ivy s ASP 424 CO 0.01 -0.56 1.67 1.88 -0.17 0.00 0.00 175.17 177.99 3ivy h TYR 425 N 8.71 0.00 0.00 -5.34 0.05 -1.01 -0.78 116.97 118.60 3ivy h TYR 425 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3ivy h TYR 425 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3ivy h TYR 425 CO 0.62 0.48 -0.86 0.25 -1.05 0.00 0.00 178.16 177.59 3ivy n THR 426 N -3.62 0.44 -0.47 -2.88 -2.24 -1.22 -3.60 114.28 100.69 3ivy n THR 426 Ca -0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3ivy n THR 426 Cb 0.56 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3ivy n THR 426 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11