#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ivx s SER 8 N 0.00 5.05 0.58 0.00 0.01 -1.26 -4.91 113.70 113.16 2ivx s SER 8 Ca 0.00 2.39 0.31 0.00 1.31 0.00 0.00 55.95 59.96 2ivx s SER 8 Cb 0.00 -2.60 1.77 0.00 0.21 0.00 0.00 66.02 65.40 2ivx s SER 8 CO 0.00 -1.69 2.21 0.77 0.41 0.00 0.00 173.24 174.94 2ivx h SER 9 N 0.72 0.00 0.40 2.44 4.64 -2.06 -0.57 113.55 119.12 2ivx h SER 9 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2ivx h SER 9 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2ivx h SER 9 CO 0.54 0.03 0.00 -2.11 -0.87 0.00 0.00 176.83 174.43 2ivx n ARG 10 N -3.71 0.09 -0.37 4.77 1.85 -1.26 -2.49 116.66 115.54 2ivx n ARG 10 Ca -0.03 0.42 0.11 0.00 -1.00 0.00 0.00 57.85 57.35 2ivx n ARG 10 Cb 0.13 -1.70 0.31 0.00 -1.05 0.00 0.00 32.46 30.15 2ivx n ARG 10 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2ivx n TRP 11 N -1.87 0.96 -4.83 2.89 7.02 -0.22 -4.79 117.44 116.60 2ivx n TRP 11 Ca 0.02 -0.50 -0.33 0.00 -1.02 0.00 0.00 57.50 55.66 2ivx n TRP 11 Cb 0.13 -0.01 -0.14 0.00 -2.42 0.00 0.00 31.31 28.88 2ivx n TRP 11 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2ivx s PHE 12 N -1.03 2.76 0.08 -5.99 0.08 -1.04 -4.63 117.98 108.21 2ivx s PHE 12 Ca 0.47 -0.36 0.10 0.00 0.12 0.00 0.00 56.93 57.26 2ivx s PHE 12 Cb 0.25 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 2ivx s PHE 12 CO 0.32 0.02 -0.26 -0.06 -0.10 0.00 0.00 175.22 175.14 2ivx s PHE 13 N -0.26 2.26 0.76 0.36 0.08 0.76 -4.99 117.98 116.96 2ivx s PHE 13 Ca 0.02 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 2ivx s PHE 13 Cb -0.13 -1.30 0.05 0.00 -0.57 0.00 0.00 43.02 41.07 2ivx s PHE 13 CO 0.03 0.22 1.10 0.95 -0.10 0.00 0.00 175.22 177.42 2ivx s THR 14 N -0.93 3.17 0.20 0.64 -4.23 -1.26 -4.61 115.64 108.62 2ivx s THR 14 Ca 0.12 0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 60.90 2ivx s THR 14 Cb -0.10 -3.24 0.13 0.00 1.34 0.00 0.00 72.50 70.63 2ivx s THR 14 CO 0.04 -0.50 1.72 0.08 -0.54 0.00 0.00 174.62 175.42 2ivx h ARG 15 N -0.91 0.26 -0.88 3.99 -0.00 -1.99 -0.13 114.38 114.73 2ivx h ARG 15 Ca -0.46 -0.02 0.04 0.00 -0.00 0.00 0.00 59.98 59.54 2ivx h ARG 15 Cb 1.27 -0.06 -0.05 0.00 -0.00 0.00 0.00 29.97 31.12 2ivx h ARG 15 CO 0.62 0.18 0.56 1.05 -0.00 0.00 0.00 179.97 182.37 2ivx h GLU 16 N 0.27 1.05 -0.39 0.08 -0.00 -1.99 -1.22 114.58 112.38 2ivx h GLU 16 Ca 0.28 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.36 59.47 2ivx h GLU 16 Cb 0.38 -0.24 -0.02 0.00 -0.00 0.00 0.00 28.75 28.88 2ivx h GLU 16 CO -0.34 0.69 -0.19 1.96 -0.00 0.00 0.00 179.01 181.13 2ivx h GLN 17 N 1.08 0.74 0.00 1.06 4.20 -1.72 -0.84 115.11 119.63 2ivx h GLN 17 Ca 0.36 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2ivx h GLN 17 Cb 0.04 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2ivx h GLN 17 CO -0.13 0.88 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.79 2ivx h LEU 18 N 0.65 0.00 0.00 1.46 3.38 -0.49 -3.24 115.31 117.08 2ivx h LEU 18 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2ivx h LEU 18 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2ivx h LEU 18 CO 0.05 0.05 -0.38 -0.33 0.09 0.00 0.00 178.44 177.92 2ivx h GLU 19 N 0.00 0.00 -3.50 1.13 3.07 -1.03 -3.40 114.58 110.85 2ivx h GLU 19 Ca -0.00 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.10 2ivx h GLU 19 Cb 0.72 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.46 2ivx h GLU 19 CO 0.01 0.77 1.83 -1.71 -1.40 0.00 0.00 179.01 178.50 2ivx n ASN 20 N -4.59 5.26 -4.96 1.42 5.15 -0.34 -4.76 115.26 112.44 2ivx n ASN 20 Ca -0.14 -3.14 -0.22 0.00 -0.60 0.00 0.00 54.58 50.48 2ivx n ASN 20 Cb 0.44 -1.46 0.02 0.00 -0.53 0.00 0.00 39.78 38.26 2ivx n ASN 20 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ivx s THR 21 N 0.04 3.41 0.27 -0.44 -4.23 -1.25 -4.84 115.64 108.59 2ivx s THR 21 Ca 0.39 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.31 2ivx s THR 21 Cb 0.08 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.91 2ivx s THR 21 CO 0.02 -0.19 1.83 -0.65 -0.54 0.00 0.00 174.62 175.09 2ivx h PRO 22 N 0.26 0.91 -0.67 3.99 0.11 -1.82 -2.10 132.00 132.67 2ivx h PRO 22 Ca -0.44 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2ivx h PRO 22 Cb 1.27 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2ivx h PRO 22 CO 0.55 0.60 0.14 0.77 -0.21 0.00 0.00 178.00 179.85 2ivx h SER 23 N 0.94 1.04 -0.48 -2.05 0.02 -1.85 -2.55 113.55 108.61 2ivx h SER 23 Ca 0.45 -0.25 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2ivx h SER 23 Cb 0.41 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2ivx h SER 23 CO -0.25 1.02 0.23 -0.09 -1.14 0.00 0.00 176.83 176.60 2ivx h ARG 24 N 1.02 0.44 0.00 3.45 9.65 -1.53 -1.13 114.38 126.28 2ivx h ARG 24 Ca 0.21 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 2ivx h ARG 24 Cb 0.40 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2ivx h ARG 24 CO 0.01 0.29 0.00 0.54 2.80 0.00 0.00 179.97 183.61 2ivx n ARG 25 N -4.91 0.15 -0.38 0.20 1.74 -0.85 -1.00 116.66 111.60 2ivx n ARG 25 Ca 0.04 0.45 0.11 0.00 -0.77 0.00 0.00 57.85 57.68 2ivx n ARG 25 Cb 0.14 -1.83 0.32 0.00 -1.02 0.00 0.00 32.46 30.07 2ivx n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ivx n GLY 27 N 1.59 0.76 3.67 0.00 0.00 -0.17 -5.02 105.19 106.01 2ivx n GLY 27 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2ivx n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ivx s VAL 28 N -2.28 4.72 0.63 1.61 1.01 -0.52 -5.00 120.40 120.58 2ivx s VAL 28 Ca 0.00 1.98 -0.18 0.00 0.00 0.00 0.00 61.98 63.78 2ivx s VAL 28 Cb 0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2ivx s VAL 28 CO 0.00 -0.12 1.22 -1.61 0.00 0.00 0.00 175.10 174.59 2ivx s GLU 29 N 2.86 2.73 0.17 2.72 0.41 -1.26 -3.95 118.70 122.38 2ivx s GLU 29 Ca 0.44 1.85 -0.14 0.00 -0.41 0.00 0.00 54.97 56.71 2ivx s GLU 29 Cb -0.16 -1.89 0.12 0.00 -1.78 0.00 0.00 34.13 30.42 2ivx s GLU 29 CO 0.09 -1.40 1.76 0.00 -0.49 0.00 0.00 175.26 175.22 2ivx h ALA 30 N 0.57 0.56 -0.80 5.21 0.00 -1.95 0.26 119.26 123.11 2ivx h ALA 30 Ca -0.50 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2ivx h ALA 30 Cb 1.30 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2ivx h ALA 30 CO 0.54 -0.19 0.42 0.38 0.00 0.00 0.00 179.25 180.40 2ivx h ASP 31 N 0.38 1.01 -0.48 0.00 3.04 -1.99 -1.44 116.42 116.95 2ivx h ASP 31 Ca 0.21 -0.10 -0.10 0.00 -3.24 0.00 0.00 57.03 53.80 2ivx h ASP 31 Cb 0.17 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.19 2ivx h ASP 31 CO -0.19 0.83 -0.08 0.50 -2.04 0.00 0.00 179.24 178.27 2ivx h LYS 32 N 1.13 0.90 -0.58 4.15 1.63 -1.70 -1.18 116.57 120.91 2ivx h LYS 32 Ca 0.28 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2ivx h LYS 32 Cb 0.06 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2ivx h LYS 32 CO -0.04 0.97 0.37 1.49 -3.45 0.00 0.00 179.45 178.79 2ivx h GLU 33 N 0.75 0.78 -0.48 1.90 4.81 -0.62 -0.41 114.58 121.31 2ivx h GLU 33 Ca 0.13 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2ivx h GLU 33 Cb 0.62 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2ivx h GLU 33 CO 0.04 0.54 0.26 1.25 -0.73 0.00 0.00 179.01 180.37 2ivx h LEU 34 N 0.79 0.41 -0.72 1.64 5.85 -1.12 -1.39 115.31 120.75 2ivx h LEU 34 Ca 0.21 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.99 2ivx h LEU 34 Cb -0.06 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2ivx h LEU 34 CO -0.04 0.29 0.44 -1.28 -0.34 0.00 0.00 178.44 177.51 2ivx h SER 35 N 0.52 0.70 -0.46 1.25 0.87 -0.83 -1.23 113.55 114.38 2ivx h SER 35 Ca 0.20 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2ivx h SER 35 Cb 0.06 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2ivx h SER 35 CO -0.11 0.47 0.26 0.00 -0.53 0.00 0.00 176.83 176.92 2ivx h ARG 37 N 0.52 0.75 -0.57 0.00 3.08 -0.79 -0.89 114.38 116.48 2ivx h ARG 37 Ca 0.19 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 2ivx h ARG 37 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2ivx h ARG 37 CO -0.10 0.49 0.13 1.96 -1.07 0.00 0.00 179.97 181.39 2ivx h GLN 38 N 0.77 0.91 -0.74 0.04 4.20 -0.86 -0.04 115.11 119.38 2ivx h GLN 38 Ca 0.25 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2ivx h GLN 38 Cb -0.00 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2ivx h GLN 38 CO -0.09 0.85 0.25 1.96 -0.67 0.00 0.00 178.83 181.13 2ivx h GLN 39 N 0.81 1.15 -0.20 1.46 4.20 -0.85 -0.67 115.11 121.01 2ivx h GLN 39 Ca 0.18 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2ivx h GLN 39 Cb 0.36 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2ivx h GLN 39 CO 0.00 0.97 0.04 0.00 -0.67 0.00 0.00 178.83 179.17 2ivx h ALA 40 N 1.13 0.27 -0.54 3.87 0.00 -0.82 -1.40 119.26 121.76 2ivx h ALA 40 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2ivx h ALA 40 Cb 0.29 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2ivx h ALA 40 CO -0.01 -0.07 0.27 0.00 0.00 0.00 0.00 179.25 179.44 2ivx h ALA 41 N 0.84 0.70 -0.86 0.00 0.00 -0.84 -0.27 119.26 118.83 2ivx h ALA 41 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2ivx h ALA 41 Cb 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2ivx h ALA 41 CO 0.00 -0.08 0.54 -0.97 0.00 0.00 0.00 179.25 178.74 2ivx h ASN 42 N 0.52 0.86 -0.24 0.00 -1.24 -1.03 0.44 115.58 114.88 2ivx h ASN 42 Ca 0.24 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.21 2ivx h ASN 42 Cb 0.17 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2ivx h ASN 42 CO -0.18 0.56 -0.04 0.25 -1.29 0.00 0.00 177.43 176.73 2ivx h LEU 43 N 1.00 0.46 -0.78 0.34 5.85 -0.61 -1.97 115.31 119.60 2ivx h LEU 43 Ca 0.37 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2ivx h LEU 43 Cb 0.13 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2ivx h LEU 43 CO -0.16 0.70 0.50 0.40 -0.34 0.00 0.00 178.44 179.54 2ivx h ILE 44 N 0.21 1.13 -0.06 4.05 2.04 -0.73 0.11 117.51 124.26 2ivx h ILE 44 Ca 0.06 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2ivx h ILE 44 Cb 0.49 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2ivx h ILE 44 CO 0.02 0.18 0.04 -0.61 0.00 0.00 0.00 178.15 177.78 2ivx h GLN 45 N 0.98 0.08 -0.44 2.37 5.75 -0.82 0.22 115.11 123.24 2ivx h GLN 45 Ca 0.31 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.77 2ivx h GLN 45 Cb -0.01 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2ivx h GLN 45 CO -0.11 0.07 0.13 0.93 -2.65 0.00 0.00 178.83 177.21 2ivx h GLU 46 N 0.06 0.68 -0.22 1.69 4.39 -0.83 -1.56 114.58 118.79 2ivx h GLU 46 Ca 0.02 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2ivx h GLU 46 Cb 0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2ivx h GLU 46 CO -0.00 0.67 0.10 0.52 -1.16 0.00 0.00 179.01 179.13 2ivx h MET 47 N 0.57 0.32 -0.60 2.33 2.86 -0.72 -2.17 114.93 117.52 2ivx h MET 47 Ca 0.14 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2ivx h MET 47 Cb 0.27 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 2ivx h MET 47 CO -0.00 0.35 0.29 0.78 1.06 0.00 0.00 176.91 179.39 2ivx h GLY 48 N 0.21 0.87 0.63 8.32 0.00 -0.81 0.01 103.07 112.29 2ivx h GLY 48 Ca 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.27 2ivx h GLY 48 CO -0.01 0.07 0.09 1.46 0.00 0.00 0.00 176.54 178.15 2ivx h GLN 49 N 0.53 0.21 -0.27 4.80 4.20 -1.17 -0.99 115.11 122.42 2ivx h GLN 49 Ca 0.28 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 2ivx h GLN 49 Cb 0.25 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2ivx h GLN 49 CO -0.22 0.14 -0.08 0.00 -0.67 0.00 0.00 178.83 177.99 2ivx h ARG 50 N 0.21 0.43 0.00 1.46 3.08 -0.78 -1.58 114.38 117.20 2ivx h ARG 50 Ca 0.16 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2ivx h ARG 50 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2ivx h ARG 50 CO -0.20 0.52 0.00 1.28 -1.07 0.00 0.00 179.97 180.50 2ivx n LEU 51 N -4.25 0.00 -3.77 3.04 4.77 -0.07 -4.93 117.00 111.78 2ivx n LEU 51 Ca 0.01 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.94 2ivx n LEU 51 Cb 0.28 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2ivx n LEU 51 CO 0.39 -0.01 0.15 -3.20 -1.33 0.00 0.00 177.39 173.39 2ivx n ASN 52 N -1.23 -5.36 -4.94 -1.43 5.15 -0.45 -5.00 115.26 102.00 2ivx n ASN 52 Ca 0.15 -0.68 -0.24 0.00 -0.60 0.00 0.00 54.58 53.21 2ivx n ASN 52 Cb 0.21 -4.25 -0.00 0.00 -0.53 0.00 0.00 39.78 35.20 2ivx n ASN 52 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2ivx s VAL 53 N -3.29 4.77 0.74 3.44 -7.23 -0.78 -5.04 120.40 113.00 2ivx s VAL 53 Ca 0.63 -0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.33 2ivx s VAL 53 Cb -0.30 -3.76 0.04 0.00 0.56 0.00 0.00 36.38 32.92 2ivx s VAL 53 CO 0.77 -0.56 1.14 -0.94 -0.31 0.00 0.00 175.10 175.20 2ivx s SER 54 N -4.10 4.43 0.38 4.85 1.04 -1.26 -4.69 113.70 114.35 2ivx s SER 54 Ca 0.44 2.08 0.07 0.00 0.48 0.00 0.00 55.95 59.02 2ivx s SER 54 Cb -0.10 -2.56 0.79 0.00 0.10 0.00 0.00 66.02 64.26 2ivx s SER 54 CO 0.38 -2.09 1.99 -0.61 0.98 0.00 0.00 173.24 173.90 2ivx h GLN 55 N -0.57 0.66 -0.32 4.02 5.75 -1.97 -2.15 115.11 120.52 2ivx h GLN 55 Ca -0.46 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.07 2ivx h GLN 55 Cb 1.26 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 2ivx h GLN 55 CO 0.51 0.44 -0.17 1.25 -2.65 0.00 0.00 178.83 178.20 2ivx h LEU 56 N 0.68 -0.56 -0.51 -2.39 5.85 -1.99 0.27 115.31 116.66 2ivx h LEU 56 Ca 0.26 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.17 2ivx h LEU 56 Cb 0.16 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 2ivx h LEU 56 CO -0.07 -0.20 0.19 0.74 -0.34 0.00 0.00 178.44 178.76 2ivx h THR 57 N -0.12 0.85 -0.20 1.05 2.02 -1.76 -0.50 112.91 114.24 2ivx h THR 57 Ca 0.17 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.23 2ivx h THR 57 Cb 0.37 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2ivx h THR 57 CO -0.40 0.07 0.08 0.40 0.37 0.00 0.00 175.52 176.04 2ivx h ILE 58 N 0.38 0.96 -0.45 3.11 2.04 -1.17 -1.45 117.51 120.94 2ivx h ILE 58 Ca 0.24 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.06 2ivx h ILE 58 Cb 0.25 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2ivx h ILE 58 CO -0.23 0.03 0.27 0.78 0.00 0.00 0.00 178.15 179.00 2ivx h ASN 59 N 0.18 0.45 -0.44 1.72 2.35 -0.55 -0.77 115.58 118.51 2ivx h ASN 59 Ca 0.09 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2ivx h ASN 59 Cb 0.05 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2ivx h ASN 59 CO -0.08 0.32 0.23 0.74 -1.65 0.00 0.00 177.43 176.99 2ivx h THR 60 N 0.55 0.98 -0.85 2.81 2.02 -0.88 -1.47 112.91 116.07 2ivx h THR 60 Ca 0.18 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2ivx h THR 60 Cb -0.01 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2ivx h THR 60 CO -0.07 0.08 0.48 0.00 0.37 0.00 0.00 175.52 176.39 2ivx h ALA 61 N 1.23 1.25 -0.59 6.16 0.00 -0.87 -0.45 119.26 126.00 2ivx h ALA 61 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ivx h ALA 61 Cb 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2ivx h ALA 61 CO -0.13 0.62 0.16 0.82 0.00 0.00 0.00 179.25 180.72 2ivx h ILE 62 N 1.18 1.25 -0.53 0.00 2.04 -0.53 -0.80 117.51 120.12 2ivx h ILE 62 Ca 0.30 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2ivx h ILE 62 Cb -0.01 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2ivx h ILE 62 CO -0.05 0.33 0.19 0.58 0.00 0.00 0.00 178.15 179.19 2ivx h VAL 63 N 0.84 1.23 -0.71 1.67 2.07 -0.84 -0.92 116.25 119.59 2ivx h VAL 63 Ca 0.19 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 67.06 2ivx h VAL 63 Cb 0.33 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2ivx h VAL 63 CO -0.00 0.28 0.37 1.88 0.02 0.00 0.00 177.57 180.11 2ivx h TYR 64 N 0.72 0.66 0.04 1.57 0.05 -0.79 -0.58 116.97 118.64 2ivx h TYR 64 Ca 0.17 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 2ivx h TYR 64 Cb 0.24 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2ivx h TYR 64 CO 0.01 0.25 -0.02 1.98 -1.05 0.00 0.00 178.16 179.33 2ivx h MET 65 N 0.63 -0.05 -0.55 4.88 4.05 -0.83 0.36 114.93 123.42 2ivx h MET 65 Ca 0.35 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.80 2ivx h MET 65 Cb 0.34 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 2ivx h MET 65 CO -0.25 -0.01 0.31 0.45 0.23 0.00 0.00 176.91 177.64 2ivx h HIS 66 N -0.08 0.58 -0.36 1.39 3.86 -0.82 -2.27 115.15 117.45 2ivx h HIS 66 Ca -0.01 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 2ivx h HIS 66 Cb 0.07 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2ivx h HIS 66 CO -0.07 0.32 -0.06 0.00 0.86 0.00 0.00 177.93 178.98 2ivx h ARG 67 N 0.61 0.67 -0.67 2.45 3.08 -0.95 -3.05 114.38 116.53 2ivx h ARG 67 Ca 0.23 -0.24 0.13 0.00 0.07 0.00 0.00 59.98 60.16 2ivx h ARG 67 Cb 0.07 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 2ivx h ARG 67 CO -0.12 0.82 0.18 0.35 -1.07 0.00 0.00 179.97 180.13 2ivx h PHE 68 N 0.47 0.29 -0.01 3.04 3.57 -0.68 -1.33 116.94 122.29 2ivx h PHE 68 Ca 0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2ivx h PHE 68 Cb 0.55 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2ivx h PHE 68 CO 0.05 -0.02 0.00 0.66 -2.23 0.00 0.00 178.31 176.77 2ivx n TYR 69 N -5.10 0.01 1.22 0.41 4.01 -0.88 -1.66 117.16 115.18 2ivx n TYR 69 Ca 0.11 -0.01 0.14 0.00 -0.16 0.00 0.00 57.90 57.99 2ivx n TYR 69 Cb 0.37 0.00 0.62 0.00 -0.31 0.00 0.00 39.34 40.03 2ivx n TYR 69 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2ivx n MET 70 N -0.73 0.27 0.00 -0.72 2.81 -0.50 -4.25 117.12 114.01 2ivx n MET 70 Ca 0.15 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2ivx n MET 70 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2ivx n MET 70 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2ivx n HIS 71 N -1.32 0.00 -4.01 2.03 8.25 -0.66 -4.63 115.22 114.87 2ivx n HIS 71 Ca 0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.48 2ivx n HIS 71 Cb 0.30 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 2ivx n HIS 71 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ivx s HIS 72 N -0.80 0.35 0.13 4.41 3.76 -0.99 -4.94 115.29 117.20 2ivx s HIS 72 Ca 0.00 -0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 54.01 2ivx s HIS 72 Cb 0.00 -0.26 -0.07 0.00 1.11 0.00 0.00 32.58 33.36 2ivx s HIS 72 CO 0.00 -0.29 0.56 0.45 -0.85 0.00 0.00 174.74 174.61 2ivx s SER 73 N -2.13 6.91 0.64 1.40 0.15 -1.26 -4.44 113.70 114.96 2ivx s SER 73 Ca -0.05 1.15 0.35 0.00 0.70 0.00 0.00 55.95 58.10 2ivx s SER 73 Cb -0.02 -2.32 1.97 0.00 -1.71 0.00 0.00 66.02 63.95 2ivx s SER 73 CO -0.05 0.15 2.18 -0.26 1.20 0.00 0.00 173.24 176.47 2ivx h PHE 74 N 3.86 0.00 0.00 3.44 0.04 -1.92 -1.70 116.94 120.65 2ivx h PHE 74 Ca -0.49 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.24 2ivx h PHE 74 Cb 1.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 2ivx h PHE 74 CO 0.66 0.00 -0.21 1.79 -0.60 0.00 0.00 178.31 179.95 2ivx h THR 75 N 0.00 0.41 0.01 -1.55 1.35 -1.93 -3.36 112.91 107.84 2ivx h THR 75 Ca 0.03 -1.32 -0.40 0.00 -0.55 0.00 0.00 66.41 64.17 2ivx h THR 75 Cb 0.29 1.99 -0.07 0.00 -1.73 0.00 0.00 68.15 68.63 2ivx h THR 75 CO -0.00 0.21 -2.46 1.17 -0.25 0.00 0.00 175.52 174.18 2ivx n LYS 76 N -3.22 0.65 -4.00 4.72 4.81 -0.78 -4.89 118.16 115.44 2ivx n LYS 76 Ca 0.02 0.17 -0.34 0.00 -0.87 0.00 0.00 58.31 57.29 2ivx n LYS 76 Cb 0.53 -1.53 -0.15 0.00 0.02 0.00 0.00 35.03 33.91 2ivx n LYS 76 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2ivx s PHE 77 N -2.52 2.94 0.14 5.64 0.08 -0.71 -5.06 117.98 118.49 2ivx s PHE 77 Ca -0.35 -1.40 -0.31 0.00 0.12 0.00 0.00 56.93 54.99 2ivx s PHE 77 Cb 0.10 -2.03 -0.10 0.00 -0.57 0.00 0.00 43.02 40.42 2ivx s PHE 77 CO 0.59 -0.70 1.68 1.21 -0.10 0.00 0.00 175.22 177.91 2ivx s ASN 78 N 1.36 6.51 0.55 1.36 3.84 -1.26 -4.44 114.94 122.85 2ivx s ASN 78 Ca 0.03 2.67 0.24 0.00 0.21 0.00 0.00 52.86 56.01 2ivx s ASN 78 Cb -0.15 -2.58 1.45 0.00 -0.55 0.00 0.00 41.25 39.42 2ivx s ASN 78 CO -0.07 -0.91 2.07 0.07 -2.79 0.00 0.00 177.10 175.47 2ivx h LYS 79 N 7.63 0.00 -0.32 0.43 2.10 -1.96 -1.85 116.57 122.60 2ivx h LYS 79 Ca -0.43 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.16 2ivx h LYS 79 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2ivx h LYS 79 CO 0.94 0.00 -0.01 -0.91 -2.00 0.00 0.00 179.45 177.46 2ivx h ASN 80 N 0.00 0.57 0.17 7.07 2.35 -1.98 -0.31 115.58 123.44 2ivx h ASN 80 Ca 0.13 -0.32 -0.22 0.00 -0.55 0.00 0.00 56.30 55.35 2ivx h ASN 80 Cb 0.57 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2ivx h ASN 80 CO -0.00 0.75 -0.85 0.16 -1.65 0.00 0.00 177.43 175.84 2ivx h ILE 81 N 0.37 1.35 -0.38 2.81 3.07 -1.83 -2.76 117.51 120.15 2ivx h ILE 81 Ca 0.09 -2.22 -0.08 0.00 1.55 0.00 0.00 64.86 64.21 2ivx h ILE 81 Cb 0.46 2.21 -0.02 0.00 -0.27 0.00 0.00 36.82 39.21 2ivx h ILE 81 CO 0.02 0.67 -0.08 0.40 -1.05 0.00 0.00 178.15 178.11 2ivx h ILE 82 N 0.33 1.24 -0.40 0.16 1.08 -1.35 -1.41 117.51 117.16 2ivx h ILE 82 Ca -0.06 -1.05 0.03 0.00 -0.39 0.00 0.00 64.86 63.39 2ivx h ILE 82 Cb 1.46 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 2ivx h ILE 82 CO 0.15 0.35 0.20 0.28 -0.69 0.00 0.00 178.15 178.45 2ivx h SER 83 N 0.60 0.29 -0.80 1.72 0.02 -1.00 0.11 113.55 114.50 2ivx h SER 83 Ca 0.11 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2ivx h SER 83 Cb 0.50 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 2ivx h SER 83 CO 0.03 0.21 0.52 0.28 -1.14 0.00 0.00 176.83 176.73 2ivx h SER 84 N 0.40 0.92 -0.07 3.07 0.02 -1.17 -1.61 113.55 115.11 2ivx h SER 84 Ca 0.17 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2ivx h SER 84 Cb 0.07 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 2ivx h SER 84 CO -0.12 0.67 0.02 0.74 -1.14 0.00 0.00 176.83 177.00 2ivx h THR 85 N 1.08 1.19 -0.58 -2.27 2.02 -0.88 -0.78 112.91 112.69 2ivx h THR 85 Ca 0.29 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.91 2ivx h THR 85 Cb -0.12 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2ivx h THR 85 CO -0.06 0.16 0.37 0.00 0.37 0.00 0.00 175.52 176.36 2ivx h ALA 86 N 0.80 0.74 -0.34 6.16 0.00 -0.62 -1.11 119.26 124.89 2ivx h ALA 86 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2ivx h ALA 86 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ivx h ALA 86 CO 0.00 0.13 -0.24 1.25 0.00 0.00 0.00 179.25 180.38 2ivx h LEU 87 N 0.74 0.81 -0.51 0.00 5.85 -1.21 0.56 115.31 121.55 2ivx h LEU 87 Ca 0.22 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2ivx h LEU 87 Cb -0.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 2ivx h LEU 87 CO -0.07 1.07 0.25 0.15 -0.34 0.00 0.00 178.44 179.50 2ivx h PHE 88 N 0.55 0.46 -0.00 1.25 3.57 -0.82 -0.90 116.94 121.06 2ivx h PHE 88 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2ivx h PHE 88 Cb 0.81 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2ivx h PHE 88 CO 0.06 0.22 -0.00 1.25 -2.23 0.00 0.00 178.31 177.61 2ivx h LEU 89 N 0.49 0.00 -0.74 0.59 5.85 -1.12 -3.10 115.31 117.28 2ivx h LEU 89 Ca 0.23 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2ivx h LEU 89 Cb 0.15 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2ivx h LEU 89 CO -0.17 0.41 0.39 0.00 -0.34 0.00 0.00 178.44 178.73 2ivx h ALA 90 N 0.59 1.03 -0.75 1.25 0.00 -0.74 -1.11 119.26 119.53 2ivx h ALA 90 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2ivx h ALA 90 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2ivx h ALA 90 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.57 2ivx h ALA 91 N 1.43 1.15 -0.17 0.00 0.00 -1.20 0.71 119.26 121.17 2ivx h ALA 91 Ca 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ivx h ALA 91 Cb 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ivx h ALA 91 CO -0.25 0.62 -0.02 0.87 0.00 0.00 0.00 179.25 180.47 2ivx h LYS 92 N 1.08 0.33 -0.83 0.00 1.57 -1.31 0.71 116.57 118.12 2ivx h LYS 92 Ca 0.25 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2ivx h LYS 92 Cb 0.17 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2ivx h LYS 92 CO -0.03 0.57 0.55 0.28 -0.57 0.00 0.00 179.45 180.25 2ivx h VAL 93 N 0.05 1.20 -0.24 0.50 2.07 -0.93 -2.20 116.25 116.70 2ivx h VAL 93 Ca 0.05 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2ivx h VAL 93 Cb 0.44 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2ivx h VAL 93 CO 0.01 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.19 2ivx n GLU 94 N -4.52 2.45 -3.56 1.57 -0.58 0.22 -4.91 120.64 111.31 2ivx n GLU 94 Ca 0.09 -1.25 -0.25 0.00 -0.42 0.00 0.00 57.16 55.33 2ivx n GLU 94 Cb 0.02 -1.72 0.06 0.00 -0.57 0.00 0.00 31.44 29.23 2ivx n GLU 94 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2ivx n GLU 95 N 0.27 -6.96 -3.12 3.49 0.28 -0.83 -4.92 120.64 108.86 2ivx n GLU 95 Ca 0.11 0.79 -0.17 0.00 -0.16 0.00 0.00 57.16 57.73 2ivx n GLU 95 Cb 0.57 -5.78 -0.02 0.00 1.43 0.00 0.00 31.44 27.64 2ivx n GLU 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ivx n GLN 96 N -4.78 0.94 -1.74 3.44 10.64 0.21 -5.04 117.38 121.05 2ivx n GLN 96 Ca -0.00 -3.14 -0.41 0.00 -1.83 0.00 0.00 57.00 51.61 2ivx n GLN 96 Cb 0.56 -1.56 0.01 0.00 -0.86 0.00 0.00 30.24 28.40 2ivx n GLN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ivx n ALA 97 N 0.47 1.84 -2.46 2.61 0.00 -1.00 -4.54 120.51 117.42 2ivx n ALA 97 Ca 0.22 0.29 -0.26 0.00 0.00 0.00 0.00 53.44 53.69 2ivx n ALA 97 Cb 0.65 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.61 2ivx n ALA 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ivx s ARG 98 N -2.22 1.46 0.50 0.00 1.81 -1.26 -4.96 118.95 114.28 2ivx s ARG 98 Ca 0.58 -0.95 -0.22 0.00 -1.72 0.00 0.00 55.73 53.42 2ivx s ARG 98 Cb -0.49 -1.57 -0.06 0.00 -0.45 0.00 0.00 34.95 32.38 2ivx s ARG 98 CO 0.60 0.40 1.26 0.15 -0.68 0.00 0.00 175.30 177.03 2ivx s LYS 99 N -1.13 3.46 0.30 3.54 1.02 -1.26 -4.88 119.74 120.79 2ivx s LYS 99 Ca 0.08 2.00 -0.01 0.00 0.02 0.00 0.00 55.97 58.06 2ivx s LYS 99 Cb -0.09 -2.34 0.48 0.00 -0.52 0.00 0.00 37.83 35.37 2ivx s LYS 99 CO 0.02 -0.86 1.95 1.25 -0.92 0.00 0.00 175.35 176.79 2ivx h LEU 100 N 1.77 0.92 -0.96 3.17 5.85 -1.99 -1.45 115.31 122.63 2ivx h LEU 100 Ca -0.50 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 2ivx h LEU 100 Cb 1.27 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2ivx h LEU 100 CO 0.59 0.64 0.60 -0.08 -0.34 0.00 0.00 178.44 179.85 2ivx h GLU 101 N 1.08 1.28 -0.08 1.25 4.81 -1.99 -0.24 114.58 120.69 2ivx h GLU 101 Ca 0.33 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2ivx h GLU 101 Cb -0.01 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 2ivx h GLU 101 CO -0.09 0.88 0.02 1.25 -0.73 0.00 0.00 179.01 180.34 2ivx h HIS 102 N 1.31 0.14 -0.58 0.92 2.76 -1.67 -1.53 115.15 116.49 2ivx h HIS 102 Ca 0.35 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.53 2ivx h HIS 102 Cb -0.09 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 2ivx h HIS 102 CO 0.00 0.32 0.34 0.28 -1.30 0.00 0.00 177.93 177.57 2ivx h VAL 103 N -0.09 1.03 -0.52 5.26 2.07 -1.07 -0.70 116.25 122.23 2ivx h VAL 103 Ca 0.03 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2ivx h VAL 103 Cb 0.25 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2ivx h VAL 103 CO 0.00 0.12 0.19 0.40 0.02 0.00 0.00 177.57 178.30 2ivx h ILE 104 N 0.66 1.23 -0.37 4.57 2.04 -0.96 -1.07 117.51 123.61 2ivx h ILE 104 Ca 0.24 -0.73 -0.15 0.00 1.00 0.00 0.00 64.86 65.22 2ivx h ILE 104 Cb 0.07 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2ivx h ILE 104 CO -0.13 0.27 -0.36 0.11 0.00 0.00 0.00 178.15 178.04 2ivx h LYS 105 N 0.71 0.86 -0.59 2.37 1.57 -1.06 -1.44 116.57 119.00 2ivx h LYS 105 Ca 0.17 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 2ivx h LYS 105 Cb 0.24 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2ivx h LYS 105 CO -0.01 1.08 0.27 0.28 -0.57 0.00 0.00 179.45 180.50 2ivx h VAL 106 N 0.71 1.22 -0.58 0.50 2.07 -1.01 -0.90 116.25 118.26 2ivx h VAL 106 Ca 0.06 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2ivx h VAL 106 Cb 0.94 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2ivx h VAL 106 CO 0.09 0.25 0.36 0.00 0.02 0.00 0.00 177.57 178.28 2ivx h ALA 107 N 1.11 0.74 -0.69 1.67 0.00 -0.99 -1.24 119.26 119.86 2ivx h ALA 107 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2ivx h ALA 107 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2ivx h ALA 107 CO -0.02 0.09 0.46 1.25 0.00 0.00 0.00 179.25 181.03 2ivx h HIS 108 N 0.71 0.86 -0.44 0.00 6.17 -1.09 0.04 115.15 121.40 2ivx h HIS 108 Ca 0.23 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.30 2ivx h HIS 108 Cb 0.00 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 29.62 2ivx h HIS 108 CO -0.05 0.54 0.15 0.00 0.71 0.00 0.00 177.93 179.28 2ivx h ALA 109 N 1.26 1.44 0.04 5.26 0.00 -0.72 0.31 119.26 126.86 2ivx h ALA 109 Ca 0.26 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 2ivx h ALA 109 Cb -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.53 2ivx h ALA 109 CO -0.06 0.42 -0.83 0.00 0.00 0.00 0.00 179.25 178.78 2ivx n LEU 111 N -4.06 0.96 -2.78 0.00 4.77 -0.04 -4.62 117.00 111.22 2ivx n LEU 111 Ca -0.12 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 2ivx n LEU 111 Cb 0.79 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2ivx n LEU 111 CO 0.51 0.49 -0.04 1.41 -1.33 0.00 0.00 177.39 178.43 2ivx n HIS 112 N -3.03 1.81 0.09 -1.77 8.25 0.11 -4.92 115.22 115.76 2ivx n HIS 112 Ca -0.24 -3.26 0.14 0.00 -0.26 0.00 0.00 57.72 54.11 2ivx n HIS 112 Cb 1.08 -0.34 0.64 0.00 1.12 0.00 0.00 29.99 32.49 2ivx n HIS 112 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ivx h PRO 113 N 2.90 0.06 -0.02 -0.41 0.13 -1.62 -2.05 132.00 130.99 2ivx h PRO 113 Ca 0.07 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2ivx h PRO 113 Cb 0.98 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2ivx h PRO 113 CO 0.62 0.04 -0.15 1.28 -0.23 0.00 0.00 178.00 179.56 2ivx n LEU 114 N -4.45 1.88 -4.87 1.56 4.77 -1.26 -4.91 117.00 109.71 2ivx n LEU 114 Ca 0.05 -0.62 -0.31 0.00 -0.03 0.00 0.00 56.01 55.10 2ivx n LEU 114 Cb 0.38 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2ivx n LEU 114 CO 0.35 0.33 0.72 -1.61 -1.33 0.00 0.00 177.39 175.85 2ivx s GLU 115 N -2.21 3.46 0.83 3.23 0.41 -0.77 -5.04 118.70 118.61 2ivx s GLU 115 Ca 0.29 0.69 -0.11 0.00 -0.41 0.00 0.00 54.97 55.43 2ivx s GLU 115 Cb 0.20 -2.07 0.09 0.00 -1.78 0.00 0.00 34.13 30.57 2ivx s GLU 115 CO 0.41 -0.65 1.10 -2.14 -0.49 0.00 0.00 175.26 173.50 2ivx s PRO 116 N -5.21 1.75 0.67 0.39 0.02 -1.26 -4.97 135.00 126.40 2ivx s PRO 116 Ca 0.55 1.22 -0.16 0.00 0.02 0.00 0.00 61.00 62.63 2ivx s PRO 116 Cb -0.11 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.58 2ivx s PRO 116 CO 0.53 -2.01 1.20 -0.51 -0.33 0.00 0.00 177.00 175.89 2ivx s LEU 117 N -6.16 3.45 0.24 -5.54 1.43 -1.26 -4.94 118.68 105.90 2ivx s LEU 117 Ca 0.63 2.34 -0.30 0.00 -1.03 0.00 0.00 54.13 55.78 2ivx s LEU 117 Cb -0.19 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.35 2ivx s LEU 117 CO 0.57 -1.96 1.26 -0.76 0.23 0.00 0.00 176.35 175.68 2ivx s LEU 118 N -4.73 4.45 -0.46 1.79 1.43 -1.26 -4.99 118.68 114.91 2ivx s LEU 118 Ca 0.75 2.43 -0.23 0.00 -1.03 0.00 0.00 54.13 56.05 2ivx s LEU 118 Cb -0.29 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.34 2ivx s LEU 118 CO 0.41 -0.44 0.77 -0.62 0.23 0.00 0.00 176.35 176.70 2ivx s ASP 119 N -0.10 6.39 0.52 2.29 3.68 -1.26 -4.94 116.67 123.25 2ivx s ASP 119 Ca 0.52 -0.19 0.27 0.00 2.13 0.00 0.00 52.55 55.28 2ivx s ASP 119 Cb -0.36 -2.38 1.45 0.00 -1.45 0.00 0.00 42.92 40.18 2ivx s ASP 119 CO 0.42 -0.92 2.07 0.74 0.13 0.00 0.00 175.17 177.61 2ivx h THR 120 N 5.97 0.57 -0.01 1.71 2.02 -1.99 -3.00 112.91 118.18 2ivx h THR 120 Ca -0.25 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2ivx h THR 120 Cb 1.09 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2ivx h THR 120 CO 0.96 0.11 -0.30 0.29 0.37 0.00 0.00 175.52 176.95 2ivx n LYS 121 N -3.65 0.65 -3.08 6.66 4.01 -1.26 -4.57 118.16 116.92 2ivx n LYS 121 Ca -0.02 -0.37 -0.30 0.00 -0.51 0.00 0.00 58.31 57.11 2ivx n LYS 121 Cb 0.23 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.23 2ivx n LYS 121 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ivx h ASP 123 N 1.49 0.61 -0.56 0.00 3.32 -1.92 -1.41 116.42 117.94 2ivx h ASP 123 Ca -0.47 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 2ivx h ASP 123 Cb 1.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2ivx h ASP 123 CO 0.65 0.42 -0.01 0.00 -1.72 0.00 0.00 179.24 178.58 2ivx h ALA 124 N 1.65 0.75 -0.24 3.45 0.00 -1.94 0.12 119.26 123.06 2ivx h ALA 124 Ca 0.24 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2ivx h ALA 124 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ivx h ALA 124 CO -0.06 0.59 -0.05 -0.92 0.00 0.00 0.00 179.25 178.80 2ivx h TYR 125 N 0.88 0.51 -0.89 0.00 3.20 -1.67 -2.35 116.97 116.65 2ivx h TYR 125 Ca 0.16 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2ivx h TYR 125 Cb 0.56 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 2ivx h TYR 125 CO 0.04 0.68 0.55 -0.07 -1.64 0.00 0.00 178.16 177.72 2ivx h LEU 126 N 0.20 0.86 -0.59 2.82 3.38 -1.09 -1.87 115.31 119.01 2ivx h LEU 126 Ca 0.06 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2ivx h LEU 126 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2ivx h LEU 126 CO 0.02 0.54 -0.17 1.56 0.09 0.00 0.00 178.44 180.48 2ivx h GLN 127 N 0.99 0.95 0.00 1.13 4.20 -0.89 -1.65 115.11 119.84 2ivx h GLN 127 Ca 0.39 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 2ivx h GLN 127 Cb 0.21 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2ivx h GLN 127 CO -0.19 1.04 -0.36 -0.56 -0.67 0.00 0.00 178.83 178.09 2ivx h GLN 128 N 0.83 0.00 -0.40 1.46 3.07 -1.04 0.22 115.11 119.25 2ivx h GLN 128 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.79 2ivx h GLN 128 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2ivx h GLN 128 CO 0.06 0.36 -0.02 1.79 0.09 0.00 0.00 178.83 181.11 2ivx h THR 129 N 0.00 1.26 -0.59 1.86 1.35 -0.98 -1.59 112.91 114.23 2ivx h THR 129 Ca -0.00 -1.05 -0.05 0.00 -0.55 0.00 0.00 66.41 64.76 2ivx h THR 129 Cb 0.73 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2ivx h THR 129 CO 0.05 0.35 0.17 0.03 -0.25 0.00 0.00 175.52 175.87 2ivx h ARG 130 N 0.54 0.92 -0.62 4.72 3.08 -0.98 -2.40 114.38 119.64 2ivx h ARG 130 Ca 0.11 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2ivx h ARG 130 Cb 0.51 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2ivx h ARG 130 CO 0.02 0.84 0.40 1.49 -1.07 0.00 0.00 179.97 181.65 2ivx h GLU 131 N 0.83 0.83 -0.42 0.04 4.81 -0.89 -2.55 114.58 117.24 2ivx h GLU 131 Ca 0.19 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2ivx h GLU 131 Cb 0.31 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2ivx h GLU 131 CO -0.00 0.57 0.07 -0.07 -0.73 0.00 0.00 179.01 178.85 2ivx h LEU 132 N 0.84 0.59 -0.32 1.64 3.38 -1.12 -0.04 115.31 120.28 2ivx h LEU 132 Ca 0.23 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2ivx h LEU 132 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2ivx h LEU 132 CO -0.05 0.61 -0.17 0.58 0.09 0.00 0.00 178.44 179.51 2ivx h VAL 133 N 0.61 1.29 -0.72 1.22 2.07 -1.17 -1.57 116.25 117.98 2ivx h VAL 133 Ca 0.14 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 2ivx h VAL 133 Cb 0.28 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2ivx h VAL 133 CO 0.00 0.41 0.32 0.40 0.02 0.00 0.00 177.57 178.73 2ivx h ILE 134 N 0.44 1.24 -0.12 4.57 5.03 -1.25 -2.78 117.51 124.64 2ivx h ILE 134 Ca 0.07 -0.70 -0.08 0.00 -0.12 0.00 0.00 64.86 64.02 2ivx h ILE 134 Cb 0.70 0.37 -0.01 0.00 -3.03 0.00 0.00 36.82 34.85 2ivx h ILE 134 CO 0.05 0.29 -0.29 -0.07 -0.68 0.00 0.00 178.15 177.45 2ivx h LEU 135 N 1.01 0.23 -0.73 1.44 3.38 -0.86 -1.52 115.31 118.26 2ivx h LEU 135 Ca 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2ivx h LEU 135 Cb 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2ivx h LEU 135 CO -0.03 0.52 0.30 -0.08 0.09 0.00 0.00 178.44 179.24 2ivx h GLU 136 N 0.20 1.08 -0.20 1.13 4.81 -1.02 0.24 114.58 120.82 2ivx h GLU 136 Ca 0.03 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2ivx h GLU 136 Cb 0.63 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2ivx h GLU 136 CO 0.05 0.88 0.09 1.15 -0.73 0.00 0.00 179.01 180.44 2ivx h THR 137 N 1.04 1.15 -0.44 0.32 2.02 -1.22 -0.28 112.91 115.50 2ivx h THR 137 Ca 0.24 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.98 2ivx h THR 137 Cb 0.20 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2ivx h THR 137 CO -0.02 0.15 0.29 0.40 0.37 0.00 0.00 175.52 176.70 2ivx h ILE 138 N 0.17 1.10 -0.21 3.11 2.04 -1.10 -1.45 117.51 121.18 2ivx h ILE 138 Ca 0.07 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2ivx h ILE 138 Cb 0.15 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2ivx h ILE 138 CO -0.01 0.11 0.13 -0.03 0.00 0.00 0.00 178.15 178.35 2ivx h MET 139 N 0.59 0.28 -0.72 2.37 4.05 -0.28 -0.12 114.93 121.10 2ivx h MET 139 Ca 0.16 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.60 2ivx h MET 139 Cb -0.06 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.63 2ivx h MET 139 CO -0.04 0.23 0.45 -0.07 0.23 0.00 0.00 176.91 177.71 2ivx h LEU 140 N 0.26 0.72 -0.31 3.39 3.38 -0.91 0.15 115.31 121.99 2ivx h LEU 140 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2ivx h LEU 140 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2ivx h LEU 140 CO -0.01 0.49 0.15 1.56 0.09 0.00 0.00 178.44 180.72 2ivx h GLN 141 N 0.86 0.45 -0.55 1.13 4.20 -1.11 -0.40 115.11 119.69 2ivx h GLN 141 Ca 0.30 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2ivx h GLN 141 Cb 0.05 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2ivx h GLN 141 CO -0.12 0.42 0.35 1.15 -0.67 0.00 0.00 178.83 179.95 2ivx h THR 142 N 0.37 1.16 0.00 -0.54 2.02 -0.55 -1.89 112.91 113.48 2ivx h THR 142 Ca 0.11 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2ivx h THR 142 Cb 0.12 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2ivx h THR 142 CO -0.01 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.21 2ivx n LEU 143 N -4.67 0.00 -1.06 2.58 4.77 0.48 -4.87 117.00 114.23 2ivx n LEU 143 Ca 0.03 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 2ivx n LEU 143 Cb 0.04 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 2ivx n LEU 143 CO 0.36 -0.10 -0.13 0.61 -1.33 0.00 0.00 177.39 176.80 2ivx n GLY 144 N 0.22 1.23 2.63 -0.72 0.00 -0.71 -2.13 105.19 105.71 2ivx n GLY 144 Ca 0.09 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2ivx n GLY 144 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ivx n PHE 145 N -2.77 0.00 -2.88 1.61 3.01 -0.21 -4.90 117.46 111.32 2ivx n PHE 145 Ca -0.13 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.89 2ivx n PHE 145 Cb 0.45 -2.77 -0.00 0.00 -0.01 0.00 0.00 39.48 37.15 2ivx n PHE 145 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2ivx s GLU 146 N -3.08 3.99 0.18 -1.08 2.12 -0.91 -4.74 118.70 115.19 2ivx s GLU 146 Ca 0.00 -2.34 0.23 0.00 0.36 0.00 0.00 54.97 53.22 2ivx s GLU 146 Cb 0.00 -5.12 0.10 0.00 0.26 0.00 0.00 34.13 29.37 2ivx s GLU 146 CO 0.00 -1.85 1.13 -0.84 -0.54 0.00 0.00 175.26 173.16 2ivx h ILE 147 N 5.02 0.00 -3.38 -3.70 3.07 -1.90 -3.45 117.51 113.16 2ivx h ILE 147 Ca 0.31 -0.84 -0.57 0.00 1.55 0.00 0.00 64.86 65.31 2ivx h ILE 147 Cb 0.90 1.37 -0.06 0.00 -0.27 0.00 0.00 36.82 38.76 2ivx h ILE 147 CO 1.26 0.00 0.93 -0.89 -1.05 0.00 0.00 178.15 178.40 2ivx s THR 148 N -3.30 4.25 -0.11 0.16 2.01 -1.26 -5.03 115.64 112.36 2ivx s THR 148 Ca 0.02 1.37 0.02 0.00 0.31 0.00 0.00 61.69 63.41 2ivx s THR 148 Cb 0.11 -4.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 2ivx s THR 148 CO 0.77 -0.67 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.22 2ivx s ILE 149 N 4.29 2.67 -0.15 1.82 -1.09 -1.26 -4.97 121.20 122.51 2ivx s ILE 149 Ca 0.51 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 58.00 2ivx s ILE 149 Cb -0.12 -2.08 -0.05 0.00 -1.58 0.00 0.00 42.46 38.63 2ivx s ILE 149 CO 0.24 0.54 0.24 -1.61 -1.23 0.00 0.00 174.94 173.13 2ivx s GLU 150 N 0.25 4.11 0.18 2.79 2.02 -1.26 -5.02 118.70 121.77 2ivx s GLU 150 Ca -0.12 0.02 0.10 0.00 0.02 0.00 0.00 54.97 54.99 2ivx s GLU 150 Cb -0.16 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 2ivx s GLU 150 CO 0.06 0.36 -0.15 -1.01 0.02 0.00 0.00 175.26 174.55 2ivx s HIS 151 N 0.12 2.52 0.52 1.61 3.76 -1.26 -4.77 115.29 117.79 2ivx s HIS 151 Ca 0.15 -0.27 0.19 0.00 -0.15 0.00 0.00 55.06 54.98 2ivx s HIS 151 Cb -0.13 -1.24 1.36 0.00 1.11 0.00 0.00 32.58 33.69 2ivx s HIS 151 CO 0.03 0.50 2.15 -1.00 -0.85 0.00 0.00 174.74 175.58 2ivx h PRO 152 N 3.04 0.00 -0.83 8.40 0.13 -1.95 -3.22 132.00 137.56 2ivx h PRO 152 Ca -0.47 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 2ivx h PRO 152 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 2ivx h PRO 152 CO 0.52 0.03 0.43 0.45 -0.23 0.00 0.00 178.00 179.19 2ivx h HIS 153 N 0.00 0.75 -0.63 1.56 3.86 -1.94 0.83 115.15 119.59 2ivx h HIS 153 Ca -0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2ivx h HIS 153 Cb 0.06 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 2ivx h HIS 153 CO 0.00 0.19 0.10 1.79 0.86 0.00 0.00 177.93 180.87 2ivx h THR 154 N 0.63 1.26 -0.37 2.45 1.35 -1.98 -0.76 112.91 115.49 2ivx h THR 154 Ca 0.45 -1.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.18 2ivx h THR 154 Cb 0.60 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2ivx h THR 154 CO -0.35 0.37 -0.27 0.44 -0.25 0.00 0.00 175.52 175.46 2ivx h ASP 155 N 0.96 0.79 0.29 5.36 3.32 -1.38 -2.60 116.42 123.16 2ivx h ASP 155 Ca 0.19 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2ivx h ASP 155 Cb 0.42 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2ivx h ASP 155 CO 0.01 1.02 -0.15 0.58 -1.72 0.00 0.00 179.24 178.98 2ivx h VAL 156 N 0.66 0.68 -0.42 -1.35 2.07 -0.39 -1.72 116.25 115.78 2ivx h VAL 156 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2ivx h VAL 156 Cb 0.80 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2ivx h VAL 156 CO 0.07 0.00 0.26 0.58 0.02 0.00 0.00 177.57 178.49 2ivx h VAL 157 N -0.41 1.13 -0.47 2.57 2.07 -1.18 0.26 116.25 120.21 2ivx h VAL 157 Ca -0.03 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.26 2ivx h VAL 157 Cb 0.33 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2ivx h VAL 157 CO 0.05 0.13 0.11 0.11 0.02 0.00 0.00 177.57 177.99 2ivx h LYS 158 N 0.56 0.24 -0.13 1.57 1.57 -1.43 -1.57 116.57 117.38 2ivx h LYS 158 Ca 0.15 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2ivx h LYS 158 Cb -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2ivx h LYS 158 CO -0.03 0.16 -0.09 0.00 -0.57 0.00 0.00 179.45 178.92 2ivx h THR 160 N -0.08 1.20 -0.30 0.00 1.35 -0.81 -0.21 112.91 114.06 2ivx h THR 160 Ca 0.03 -0.69 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 2ivx h THR 160 Cb 0.57 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 2ivx h THR 160 CO 0.02 0.26 0.05 1.56 -0.25 0.00 0.00 175.52 177.17 2ivx h GLN 161 N 0.72 0.50 -0.35 4.72 4.20 -1.32 -1.08 115.11 122.50 2ivx h GLN 161 Ca 0.17 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 2ivx h GLN 161 Cb 0.22 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2ivx h GLN 161 CO -0.01 0.59 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.49 2ivx h LEU 162 N 0.32 0.64 -0.57 1.46 3.38 -0.97 -2.75 115.31 116.82 2ivx h LEU 162 Ca 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2ivx h LEU 162 Cb 0.33 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2ivx h LEU 162 CO 0.01 0.83 0.00 1.33 0.09 0.00 0.00 178.44 180.69 2ivx n VAL 163 N -4.14 0.16 -3.62 1.22 0.24 -0.15 -4.92 118.33 107.11 2ivx n VAL 163 Ca 0.00 -0.19 -0.22 0.00 -2.04 0.00 0.00 64.34 61.89 2ivx n VAL 163 Cb 0.39 0.07 0.06 0.00 -1.47 0.00 0.00 33.84 32.88 2ivx n VAL 163 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ivx n ARG 164 N -0.14 -6.33 -1.87 7.34 1.74 -1.04 -4.94 116.66 111.42 2ivx n ARG 164 Ca 0.10 0.74 -0.38 0.00 -0.77 0.00 0.00 57.85 57.54 2ivx n ARG 164 Cb 0.17 -5.63 0.03 0.00 -1.02 0.00 0.00 32.46 26.00 2ivx n ARG 164 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ivx s ALA 165 N -3.42 2.93 0.93 7.54 0.00 -0.43 -5.00 121.76 124.31 2ivx s ALA 165 Ca 0.25 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 2ivx s ALA 165 Cb -0.12 -3.54 0.15 0.00 0.00 0.00 0.00 23.12 19.61 2ivx s ALA 165 CO 0.77 -1.21 1.11 -1.54 0.00 0.00 0.00 175.76 174.89 2ivx s SER 166 N -0.94 2.95 0.30 0.00 1.04 -1.26 -4.77 113.70 111.02 2ivx s SER 166 Ca 0.68 1.94 -0.01 0.00 0.48 0.00 0.00 55.95 59.04 2ivx s SER 166 Cb -0.39 -2.48 0.44 0.00 0.10 0.00 0.00 66.02 63.70 2ivx s SER 166 CO 0.47 -3.04 1.91 0.07 0.98 0.00 0.00 173.24 173.63 2ivx h LYS 167 N -1.83 0.96 -0.35 4.02 2.10 -1.99 0.02 116.57 119.50 2ivx h LYS 167 Ca -0.47 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2ivx h LYS 167 Cb 1.27 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.40 2ivx h LYS 167 CO 0.46 0.72 0.22 0.22 -2.00 0.00 0.00 179.45 179.07 2ivx h ASP 168 N 0.96 0.40 -0.48 7.07 3.58 -1.99 -0.60 116.42 125.37 2ivx h ASP 168 Ca 0.24 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 2ivx h ASP 168 Cb 0.05 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2ivx h ASP 168 CO -0.04 0.31 -0.01 0.25 -2.88 0.00 0.00 179.24 176.87 2ivx h LEU 169 N 0.46 0.85 -0.43 2.28 5.85 -1.79 0.19 115.31 122.73 2ivx h LEU 169 Ca 0.13 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2ivx h LEU 169 Cb -0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2ivx h LEU 169 CO -0.03 0.96 0.25 0.00 -0.34 0.00 0.00 178.44 179.29 2ivx h ALA 170 N 0.92 0.54 -0.52 1.25 0.00 -0.83 -1.25 119.26 119.36 2ivx h ALA 170 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2ivx h ALA 170 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ivx h ALA 170 CO 0.03 0.04 0.06 1.96 0.00 0.00 0.00 179.25 181.34 2ivx h GLN 171 N 0.56 0.89 -0.68 0.00 4.20 -0.98 -1.59 115.11 117.51 2ivx h GLN 171 Ca 0.15 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 2ivx h GLN 171 Cb 0.01 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 2ivx h GLN 171 CO -0.03 0.88 0.28 1.15 -0.67 0.00 0.00 178.83 180.45 2ivx h THR 172 N 0.76 1.24 -0.34 -0.54 2.02 -0.78 -0.36 112.91 114.92 2ivx h THR 172 Ca 0.16 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 2ivx h THR 172 Cb 0.44 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2ivx h THR 172 CO 0.02 0.29 0.10 0.28 0.37 0.00 0.00 175.52 176.58 2ivx h SER 173 N 0.96 0.50 -0.40 4.18 0.02 -1.04 -1.42 113.55 116.35 2ivx h SER 173 Ca 0.23 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2ivx h SER 173 Cb 0.19 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2ivx h SER 173 CO -0.02 0.58 0.12 0.22 -1.14 0.00 0.00 176.83 176.59 2ivx h TYR 174 N 0.39 0.65 -0.72 3.45 3.20 -1.10 -1.96 116.97 120.87 2ivx h TYR 174 Ca 0.11 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.97 2ivx h TYR 174 Cb 0.27 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 2ivx h TYR 174 CO 0.01 0.60 0.42 0.35 -1.64 0.00 0.00 178.16 177.90 2ivx h PHE 175 N 0.50 0.76 -0.12 -3.82 3.57 -0.91 -1.58 116.94 115.35 2ivx h PHE 175 Ca 0.13 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 2ivx h PHE 175 Cb 0.26 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2ivx h PHE 175 CO 0.01 0.37 -0.41 0.52 -2.23 0.00 0.00 178.31 176.57 2ivx h MET 176 N 0.76 0.26 -0.37 1.11 2.86 -1.05 0.13 114.93 118.63 2ivx h MET 176 Ca 0.32 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2ivx h MET 176 Cb 0.18 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2ivx h MET 176 CO -0.18 0.63 0.18 0.00 1.06 0.00 0.00 176.91 178.61 2ivx h ALA 177 N 1.35 0.48 -0.14 6.32 0.00 -0.57 0.10 119.26 126.81 2ivx h ALA 177 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ivx h ALA 177 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ivx h ALA 177 CO 0.06 0.04 0.06 1.15 0.00 0.00 0.00 179.25 180.56 2ivx h THR 178 N 0.46 1.14 -0.81 0.00 2.02 -0.96 -2.39 112.91 112.37 2ivx h THR 178 Ca 0.13 -0.40 0.14 0.00 0.77 0.00 0.00 66.41 67.05 2ivx h THR 178 Cb 0.11 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 2ivx h THR 178 CO -0.02 0.12 0.53 0.78 0.37 0.00 0.00 175.52 177.31 2ivx h ASN 179 N 0.08 0.52 -0.50 4.18 2.35 -0.80 -1.40 115.58 120.01 2ivx h ASN 179 Ca 0.05 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2ivx h ASN 179 Cb 0.14 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 2ivx h ASN 179 CO -0.00 0.27 0.15 0.77 -1.65 0.00 0.00 177.43 176.96 2ivx h SER 180 N 0.55 0.78 -0.14 5.81 4.64 -0.28 -0.23 113.55 124.69 2ivx h SER 180 Ca 0.40 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 2ivx h SER 180 Cb 0.76 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2ivx h SER 180 CO -0.15 0.76 -0.35 -0.07 -0.87 0.00 0.00 176.83 176.14 2ivx h LEU 181 N 0.82 0.55 -0.63 5.97 3.38 -1.04 -2.03 115.31 122.33 2ivx h LEU 181 Ca 0.18 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2ivx h LEU 181 Cb 0.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2ivx h LEU 181 CO -0.00 1.03 0.22 0.45 0.09 0.00 0.00 178.44 180.23 2ivx h HIS 182 N 0.09 0.99 0.00 1.13 3.86 -1.12 -3.38 115.15 116.72 2ivx h HIS 182 Ca -0.01 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2ivx h HIS 182 Cb 0.97 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.14 2ivx h HIS 182 CO 0.10 0.80 -0.75 1.28 0.86 0.00 0.00 177.93 180.22 2ivx n LEU 183 N -4.40 0.27 -4.48 2.43 4.77 -0.12 -4.05 117.00 111.43 2ivx n LEU 183 Ca 0.04 -0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 55.46 2ivx n LEU 183 Cb 0.19 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 2ivx n LEU 183 CO 0.40 0.07 -0.26 0.42 -1.33 0.00 0.00 177.39 176.68 2ivx s THR 184 N -2.09 1.19 -0.34 -5.08 -4.23 -0.76 -4.95 115.64 99.38 2ivx s THR 184 Ca 0.01 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2ivx s THR 184 Cb 0.06 -2.75 0.67 0.00 1.34 0.00 0.00 72.50 71.82 2ivx s THR 184 CO 0.36 0.00 1.75 0.35 -0.54 0.00 0.00 174.62 176.54 2ivx n THR 185 N -0.75 2.89 -0.09 3.99 -2.24 -1.26 -4.69 114.28 112.14 2ivx n THR 185 Ca -0.03 -1.93 0.17 0.00 -2.27 0.00 0.00 64.05 59.99 2ivx n THR 185 Cb 0.66 -0.37 0.59 0.00 -2.10 0.00 0.00 70.33 69.11 2ivx n THR 185 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2ivx h PHE 186 N 1.85 0.27 0.00 4.78 0.04 -1.95 -1.66 116.94 120.26 2ivx h PHE 186 Ca 0.34 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2ivx h PHE 186 Cb 2.30 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 40.36 2ivx h PHE 186 CO 1.26 0.11 0.00 0.00 -0.60 0.00 0.00 178.31 179.08 2ivx n LEU 188 N -2.82 1.99 0.00 0.00 4.77 -0.63 -4.63 117.00 115.68 2ivx n LEU 188 Ca -0.01 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2ivx n LEU 188 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2ivx n LEU 188 CO 0.21 0.35 -0.37 0.00 -1.33 0.00 0.00 177.39 176.24 2ivx n GLN 189 N 0.30 0.46 -4.27 3.23 6.02 -0.58 -0.17 117.38 122.36 2ivx n GLN 189 Ca 0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.92 2ivx n GLN 189 Cb 0.46 -0.87 -0.12 0.00 1.02 0.00 0.00 30.24 30.73 2ivx n GLN 189 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2ivx s TYR 190 N -1.75 1.62 0.57 1.08 2.02 -0.16 -4.77 117.35 115.97 2ivx s TYR 190 Ca 0.00 -0.48 -0.19 0.00 -0.37 0.00 0.00 57.07 56.03 2ivx s TYR 190 Cb 0.00 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 2ivx s TYR 190 CO 0.00 0.21 1.18 0.15 -1.57 0.00 0.00 175.55 175.52 2ivx s LYS 191 N -2.36 3.12 0.43 -0.62 -0.14 -1.26 -4.65 119.74 114.25 2ivx s LYS 191 Ca 0.09 1.76 0.14 0.00 -1.36 0.00 0.00 55.97 56.60 2ivx s LYS 191 Cb -0.07 -1.97 1.03 0.00 -1.68 0.00 0.00 37.83 35.14 2ivx s LYS 191 CO 0.04 -1.07 1.96 -1.35 -0.76 0.00 0.00 175.35 174.17 2ivx h PRO 192 N 1.03 0.41 -0.43 -1.68 0.11 -1.92 -0.81 132.00 128.71 2ivx h PRO 192 Ca -0.50 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2ivx h PRO 192 Cb 1.29 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2ivx h PRO 192 CO 0.56 0.27 -0.01 1.79 -0.21 0.00 0.00 178.00 180.40 2ivx h THR 193 N 0.42 1.23 -0.04 -1.15 1.35 -1.90 0.75 112.91 113.57 2ivx h THR 193 Ca 0.31 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2ivx h THR 193 Cb 0.64 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2ivx h THR 193 CO -0.09 0.33 0.01 0.58 -0.25 0.00 0.00 175.52 176.09 2ivx h VAL 194 N 0.66 1.22 -0.65 6.82 2.07 -1.51 -2.60 116.25 122.27 2ivx h VAL 194 Ca 0.13 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2ivx h VAL 194 Cb 0.42 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2ivx h VAL 194 CO 0.02 0.18 0.23 0.40 0.02 0.00 0.00 177.57 178.42 2ivx h ILE 195 N -0.19 1.24 -0.59 4.57 1.08 -1.29 -1.37 117.51 120.96 2ivx h ILE 195 Ca 0.01 -0.78 0.10 0.00 -0.39 0.00 0.00 64.86 63.80 2ivx h ILE 195 Cb 0.29 0.49 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 2ivx h ILE 195 CO 0.00 0.31 0.17 0.00 -0.69 0.00 0.00 178.15 177.94 2ivx h ALA 196 N 1.29 0.73 -0.56 1.87 0.00 -0.79 -1.09 119.26 120.71 2ivx h ALA 196 Ca 0.22 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2ivx h ALA 196 Cb 0.24 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ivx h ALA 196 CO -0.01 -0.26 0.12 0.00 0.00 0.00 0.00 179.25 179.09 2ivx h VAL 198 N 0.81 0.95 -0.29 0.00 2.07 -0.74 0.83 116.25 119.87 2ivx h VAL 198 Ca 0.17 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2ivx h VAL 198 Cb 0.37 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2ivx h VAL 198 CO 0.01 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.62 2ivx h ILE 200 N 0.34 1.23 -0.15 0.00 2.04 -1.14 -1.81 117.51 118.01 2ivx h ILE 200 Ca 0.07 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.17 2ivx h ILE 200 Cb 0.61 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2ivx h ILE 200 CO 0.04 0.28 -0.06 -0.74 0.00 0.00 0.00 178.15 177.67 2ivx h HIS 201 N 0.59 -0.13 -0.46 1.37 2.76 -0.71 0.35 115.15 118.92 2ivx h HIS 201 Ca 0.14 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2ivx h HIS 201 Cb 0.31 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 2ivx h HIS 201 CO 0.02 -0.10 0.22 1.25 -1.30 0.00 0.00 177.93 178.02 2ivx h LEU 202 N -0.03 0.30 -0.59 0.26 6.46 -1.21 -0.63 115.31 119.86 2ivx h LEU 202 Ca 0.08 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2ivx h LEU 202 Cb 0.15 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2ivx h LEU 202 CO -0.18 0.21 0.28 0.00 -0.62 0.00 0.00 178.44 178.13 2ivx h ALA 203 N 1.26 0.76 -0.40 1.25 0.00 -0.98 -0.84 119.26 120.31 2ivx h ALA 203 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ivx h ALA 203 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2ivx h ALA 203 CO -0.16 0.33 0.24 0.00 0.00 0.00 0.00 179.25 179.66 2ivx h LYS 205 N 0.53 0.91 -0.77 0.00 1.57 -0.81 0.26 116.57 118.26 2ivx h LYS 205 Ca 0.14 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2ivx h LYS 205 Cb 0.01 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 2ivx h LYS 205 CO -0.03 0.66 0.36 2.35 -0.57 0.00 0.00 179.45 182.22 2ivx h TRP 206 N 0.91 1.10 -0.17 -1.35 2.91 -0.97 -2.65 115.95 115.73 2ivx h TRP 206 Ca 0.24 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.21 2ivx h TRP 206 Cb -0.01 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.30 2ivx h TRP 206 CO -0.01 0.80 0.00 0.43 -1.03 0.00 0.00 178.44 178.63 2ivx n SER 207 N -4.32 2.19 -3.97 2.65 7.64 -0.67 -4.94 113.62 112.20 2ivx n SER 207 Ca 0.07 -1.77 -0.29 0.00 1.01 0.00 0.00 58.87 57.90 2ivx n SER 207 Cb 0.14 -0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2ivx n SER 207 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2ivx n ASN 208 N 0.68 -2.28 -4.67 6.43 3.02 -0.16 -4.97 115.26 113.31 2ivx n ASN 208 Ca 0.17 -0.92 -0.35 0.00 -0.03 0.00 0.00 54.58 53.45 2ivx n ASN 208 Cb 0.43 -3.34 -0.09 0.00 -0.61 0.00 0.00 39.78 36.17 2ivx n ASN 208 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2ivx s TRP 209 N -3.59 3.26 -0.16 3.10 -0.11 -0.10 -5.04 118.94 116.31 2ivx s TRP 209 Ca 0.35 0.13 0.00 0.00 1.22 0.00 0.00 56.10 57.80 2ivx s TRP 209 Cb -0.18 -1.99 0.00 0.00 -1.50 0.00 0.00 33.47 29.80 2ivx s TRP 209 CO 0.87 0.28 -0.16 -2.00 -4.62 0.00 0.00 176.95 171.32 2ivx s GLU 210 N -0.07 3.19 -0.27 5.86 -6.30 -1.26 -4.55 118.70 115.31 2ivx s GLU 210 Ca 0.06 -0.76 -0.17 0.00 -2.50 0.00 0.00 54.97 51.60 2ivx s GLU 210 Cb -0.12 -2.61 -0.03 0.00 0.00 0.00 0.00 34.13 31.37 2ivx s GLU 210 CO 0.01 0.00 0.48 0.42 0.02 0.00 0.00 175.26 176.19 2ivx s ILE 211 N 0.85 5.10 0.68 -3.70 1.01 -1.26 -5.05 121.20 118.83 2ivx s ILE 211 Ca -0.05 0.78 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 2ivx s ILE 211 Cb -0.15 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2ivx s ILE 211 CO -0.01 0.10 1.01 -2.65 0.00 0.00 0.00 174.94 173.39 2ivx n PRO 212 N 5.49 0.69 -1.55 2.79 -0.02 -1.26 -4.76 135.00 136.38 2ivx n PRO 212 Ca -0.05 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 2ivx n PRO 212 Cb 0.50 -2.25 0.06 0.00 -0.02 0.00 0.00 33.50 31.79 2ivx n PRO 212 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ivx s VAL 213 N -1.68 3.90 0.91 -1.45 -7.23 -1.26 -4.56 120.40 109.03 2ivx s VAL 213 Ca 0.76 0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 61.42 2ivx s VAL 213 Cb -0.37 -3.34 0.20 0.00 0.56 0.00 0.00 36.38 33.42 2ivx s VAL 213 CO 0.48 -0.80 1.25 -0.94 -0.31 0.00 0.00 175.10 174.77 2ivx s SER 214 N -3.78 3.29 0.61 4.85 1.04 -0.74 -4.88 113.70 114.08 2ivx s SER 214 Ca 0.58 -0.01 0.38 0.00 0.48 0.00 0.00 55.95 57.39 2ivx s SER 214 Cb -0.14 -0.06 1.93 0.00 0.10 0.00 0.00 66.02 67.86 2ivx s SER 214 CO 0.55 -2.60 2.20 0.71 0.98 0.00 0.00 173.24 175.09 2ivx h THR 215 N -1.39 0.10 -0.67 2.02 1.35 -1.98 -0.86 112.91 111.47 2ivx h THR 215 Ca -0.41 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2ivx h THR 215 Cb 1.23 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2ivx h THR 215 CO 0.35 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 174.73 2ivx n ASP 216 N -3.19 4.08 0.00 5.36 5.68 -1.26 -4.97 116.55 122.25 2ivx n ASP 216 Ca -0.02 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 2ivx n ASP 216 Cb 0.17 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 2ivx n ASP 216 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ivx n GLY 217 N 1.38 1.43 3.74 6.12 0.00 -0.33 -5.01 105.19 112.53 2ivx n GLY 217 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2ivx n GLY 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ivx s LYS 218 N -0.12 4.17 0.51 1.61 1.02 -1.26 -4.60 119.74 121.07 2ivx s LYS 218 Ca 0.00 2.49 -0.18 0.00 0.02 0.00 0.00 55.97 58.29 2ivx s LYS 218 Cb 0.00 -3.07 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 2ivx s LYS 218 CO 0.00 -0.59 1.00 -1.01 -0.92 0.00 0.00 175.35 173.83 2ivx s HIS 219 N 0.31 3.22 0.34 3.18 3.76 -1.26 -1.80 115.29 123.05 2ivx s HIS 219 Ca 0.65 1.53 0.08 0.00 -0.15 0.00 0.00 55.06 57.17 2ivx s HIS 219 Cb -0.46 -2.91 0.78 0.00 1.11 0.00 0.00 32.58 31.10 2ivx s HIS 219 CO 0.42 -0.57 1.85 0.11 -0.85 0.00 0.00 174.74 175.70 2ivx h TRP 220 N 1.16 0.88 0.00 1.40 5.08 -1.86 -0.81 115.95 121.81 2ivx h TRP 220 Ca -0.48 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.49 2ivx h TRP 220 Cb 1.20 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 27.08 2ivx h TRP 220 CO 0.61 0.31 -0.11 0.11 -1.28 0.00 0.00 178.44 178.08 2ivx h TRP 221 N 0.74 0.00 0.00 0.12 0.09 -1.93 -1.93 115.95 113.03 2ivx h TRP 221 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.45 2ivx h TRP 221 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.96 2ivx h TRP 221 CO -0.00 0.11 0.00 0.93 0.09 0.00 0.00 178.44 179.57 2ivx h GLU 222 N 0.00 0.00 0.00 0.12 5.08 -1.33 -0.70 114.58 117.76 2ivx h GLU 222 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ivx h GLU 222 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ivx h GLU 222 CO 0.01 0.00 -0.34 1.88 -1.00 0.00 0.00 179.01 179.57 2ivx h TYR 223 N 0.00 0.00 0.00 4.33 -1.99 -1.47 -3.39 116.97 114.45 2ivx h TYR 223 Ca 0.00 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.35 2ivx h TYR 223 Cb 0.37 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.03 2ivx h TYR 223 CO 0.00 0.00 -2.39 0.28 -0.00 0.00 0.00 178.16 176.05 2ivx n VAL 224 N -2.23 1.38 -3.73 -2.88 0.31 -0.40 -4.96 118.33 105.82 2ivx n VAL 224 Ca 0.04 -0.48 -0.15 0.00 -0.01 0.00 0.00 64.34 63.75 2ivx n VAL 224 Cb 0.44 -1.50 -0.15 0.00 -0.91 0.00 0.00 33.84 31.72 2ivx n VAL 224 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ivx s ASP 225 N -6.62 0.15 0.00 4.52 -1.08 -0.44 -4.88 116.67 108.32 2ivx s ASP 225 Ca -0.33 0.27 0.29 0.00 -0.52 0.00 0.00 52.55 52.25 2ivx s ASP 225 Cb 0.10 0.16 1.39 0.00 -1.46 0.00 0.00 42.92 43.11 2ivx s ASP 225 CO 0.52 -0.17 1.98 -0.81 0.52 0.00 0.00 175.17 177.21 2ivx n PRO 226 N 4.49 0.28 -0.04 4.34 -0.04 -1.26 -3.39 135.00 139.38 2ivx n PRO 226 Ca -0.21 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.28 2ivx n PRO 226 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2ivx n PRO 226 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ivx n THR 227 N -1.36 0.51 -1.70 0.52 -2.24 -1.26 -5.01 114.28 103.74 2ivx n THR 227 Ca 0.12 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 2ivx n THR 227 Cb 0.27 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 2ivx n THR 227 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2ivx n VAL 228 N -2.36 1.21 -4.46 2.28 0.31 -1.22 -5.03 118.33 109.06 2ivx n VAL 228 Ca -0.14 -0.30 -0.24 0.00 -0.01 0.00 0.00 64.34 63.64 2ivx n VAL 228 Cb 0.74 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.91 2ivx n VAL 228 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ivx s THR 229 N -0.28 2.52 0.27 2.52 -4.23 -1.26 -4.87 115.64 110.31 2ivx s THR 229 Ca 0.64 -2.35 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 2ivx s THR 229 Cb -0.58 -2.38 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2ivx s THR 229 CO 0.52 -0.37 1.91 0.25 -0.54 0.00 0.00 174.62 176.39 2ivx h LEU 230 N 2.21 1.06 -0.62 4.79 5.85 -1.99 -1.06 115.31 125.55 2ivx h LEU 230 Ca -0.41 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2ivx h LEU 230 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2ivx h LEU 230 CO 0.61 0.72 0.41 -0.33 -0.34 0.00 0.00 178.44 179.51 2ivx h GLU 231 N 1.22 0.80 -0.54 1.25 3.07 -1.99 0.20 114.58 118.60 2ivx h GLU 231 Ca 0.39 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.15 2ivx h GLU 231 Cb 0.03 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 2ivx h GLU 231 CO -0.13 0.53 0.13 1.25 -1.40 0.00 0.00 179.01 179.40 2ivx h LEU 232 N 0.83 0.81 -0.65 1.33 5.85 -1.80 -1.49 115.31 120.20 2ivx h LEU 232 Ca 0.23 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2ivx h LEU 232 Cb -0.08 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 2ivx h LEU 232 CO -0.06 0.84 0.35 -0.07 -0.34 0.00 0.00 178.44 179.16 2ivx h LEU 233 N 0.75 0.81 -0.22 2.25 3.38 -0.77 -0.14 115.31 121.37 2ivx h LEU 233 Ca 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2ivx h LEU 233 Cb 0.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2ivx h LEU 233 CO 0.00 0.68 0.01 0.44 0.09 0.00 0.00 178.44 179.66 2ivx h ASP 234 N 0.89 0.38 -0.16 -0.43 3.32 -0.87 0.07 116.42 119.60 2ivx h ASP 234 Ca 0.23 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 57.02 2ivx h ASP 234 Cb 0.05 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 2ivx h ASP 234 CO -0.04 0.58 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.82 2ivx h GLU 235 N 0.16 -0.18 -0.08 3.56 4.81 -1.08 -0.94 114.58 120.82 2ivx h GLU 235 Ca 0.06 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.11 2ivx h GLU 235 Cb 0.39 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ivx h GLU 235 CO 0.01 -0.12 -0.75 -0.07 -0.73 0.00 0.00 179.01 177.35 2ivx h LEU 236 N -0.19 0.53 -0.47 1.64 3.38 -0.98 -1.42 115.31 117.80 2ivx h LEU 236 Ca 0.11 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2ivx h LEU 236 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2ivx h LEU 236 CO -0.28 1.10 0.27 0.74 0.09 0.00 0.00 178.44 180.37 2ivx h THR 237 N 0.30 1.03 -0.48 0.22 2.02 -0.91 -0.31 112.91 114.77 2ivx h THR 237 Ca -0.04 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2ivx h THR 237 Cb 1.34 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2ivx h THR 237 CO 0.13 0.10 0.20 -0.74 0.37 0.00 0.00 175.52 175.58 2ivx h HIS 238 N 0.54 0.73 -0.64 3.16 -0.00 -0.95 -0.92 115.15 117.06 2ivx h HIS 238 Ca 0.19 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2ivx h HIS 238 Cb 0.04 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 2ivx h HIS 238 CO -0.07 0.60 0.37 1.49 -0.00 0.00 0.00 177.93 180.32 2ivx h GLU 239 N 0.64 0.89 -0.04 5.26 4.81 -1.09 -0.97 114.58 124.08 2ivx h GLU 239 Ca 0.16 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2ivx h GLU 239 Cb 0.18 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2ivx h GLU 239 CO -0.02 0.65 0.02 0.35 -0.73 0.00 0.00 179.01 179.29 2ivx h PHE 240 N 0.88 0.03 -0.91 0.92 -0.00 -0.69 -1.47 116.94 115.70 2ivx h PHE 240 Ca 0.23 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.23 2ivx h PHE 240 Cb 0.01 -0.01 -0.05 0.00 -0.00 0.00 0.00 35.95 35.90 2ivx h PHE 240 CO -0.01 0.02 0.59 -0.07 -0.00 0.00 0.00 178.31 178.84 2ivx h LEU 241 N 0.04 0.99 -0.55 0.59 3.38 -0.94 -1.17 115.31 117.66 2ivx h LEU 241 Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ivx h LEU 241 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2ivx h LEU 241 CO -0.02 0.69 0.35 1.56 0.09 0.00 0.00 178.44 181.11 2ivx h GLN 242 N 1.16 0.69 -0.60 1.13 4.20 -0.85 -1.15 115.11 119.70 2ivx h GLN 242 Ca 0.36 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.03 2ivx h GLN 242 Cb -0.02 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 2ivx h GLN 242 CO -0.11 0.46 0.40 0.82 -0.67 0.00 0.00 178.83 179.72 2ivx h ILE 243 N 0.71 1.16 -0.60 2.54 2.04 -0.78 -2.32 117.51 120.26 2ivx h ILE 243 Ca 0.21 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2ivx h ILE 243 Cb -0.04 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 2ivx h ILE 243 CO -0.06 0.15 0.38 -0.07 0.00 0.00 0.00 178.15 178.55 2ivx h LEU 244 N 0.82 0.70 -1.41 1.44 3.38 -0.90 -2.24 115.31 117.09 2ivx h LEU 244 Ca 0.22 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2ivx h LEU 244 Cb -0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2ivx h LEU 244 CO -0.05 0.52 0.40 -0.33 0.09 0.00 0.00 178.44 179.08 2ivx h GLU 245 N 0.81 0.79 -0.01 1.13 5.08 -0.96 -2.07 114.58 119.35 2ivx h GLU 245 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2ivx h GLU 245 Cb -0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.00 2ivx h GLU 245 CO -0.04 0.52 -0.03 0.36 -1.00 0.00 0.00 179.01 178.82 2ivx n LYS 246 N -4.45 1.31 -3.13 2.33 0.00 -0.89 -4.00 118.16 109.33 2ivx n LYS 246 Ca 0.06 -0.57 -0.35 0.00 -0.00 0.00 0.00 58.31 57.46 2ivx n LYS 246 Cb 0.05 -1.49 -0.03 0.00 -0.00 0.00 0.00 35.03 33.56 2ivx n LYS 246 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2ivx n THR 247 N -0.35 3.98 -0.27 0.58 -1.04 -0.78 -5.00 114.28 111.40 2ivx n THR 247 Ca 0.20 -5.62 0.08 0.00 -2.04 0.00 0.00 64.05 56.67 2ivx n THR 247 Cb 0.27 -1.97 0.32 0.00 -1.82 0.00 0.00 70.33 67.14 2ivx n THR 247 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2ivx h PRO 248 N 4.54 0.81 -0.28 -2.82 0.13 -1.72 -1.92 132.00 130.74 2ivx h PRO 248 Ca 0.23 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 65.15 2ivx h PRO 248 Cb 0.59 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 2ivx h PRO 248 CO 1.07 0.54 -0.43 -0.91 -0.23 0.00 0.00 178.00 178.04 2ivx h ASN 249 N 0.83 0.86 -0.60 1.44 2.35 -1.94 -2.08 115.58 116.44 2ivx h ASN 249 Ca 0.41 -0.51 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2ivx h ASN 249 Cb 0.46 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2ivx h ASN 249 CO -0.18 1.21 0.40 -0.09 -1.65 0.00 0.00 177.43 177.12 2ivx h ARG 250 N 0.54 0.73 -0.63 0.81 9.65 -1.81 -1.71 114.38 121.95 2ivx h ARG 250 Ca 0.03 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2ivx h ARG 250 Cb 1.02 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.41 2ivx h ARG 250 CO 0.10 0.48 0.29 1.25 2.80 0.00 0.00 179.97 184.89 2ivx h LEU 251 N 0.75 0.84 -1.03 3.80 5.85 -1.17 -1.59 115.31 122.75 2ivx h LEU 251 Ca 0.23 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ivx h LEU 251 Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2ivx h LEU 251 CO -0.06 0.75 0.35 0.50 -0.34 0.00 0.00 178.44 179.64 2ivx h LYS 252 N 0.87 1.04 -0.55 1.25 3.64 -0.93 -1.79 116.57 120.10 2ivx h LYS 252 Ca 0.22 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2ivx h LYS 252 Cb 0.14 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2ivx h LYS 252 CO -0.02 0.80 0.20 0.87 -2.27 0.00 0.00 179.45 179.02 2ivx h LYS 253 N 1.03 0.83 -0.55 1.90 1.57 -1.08 -0.78 116.57 119.49 2ivx h LYS 253 Ca 0.25 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2ivx h LYS 253 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2ivx h LYS 253 CO -0.03 0.73 0.01 0.82 -0.57 0.00 0.00 179.45 180.41 2ivx h ILE 254 N 0.75 1.26 -0.57 1.86 2.04 -1.11 0.37 117.51 122.12 2ivx h ILE 254 Ca 0.18 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 2ivx h ILE 254 Cb 0.23 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2ivx h ILE 254 CO -0.01 0.39 -0.01 0.03 0.00 0.00 0.00 178.15 178.55 2ivx h ARG 255 N 0.84 0.99 -0.65 2.37 3.08 -1.18 -1.40 114.38 118.43 2ivx h ARG 255 Ca 0.16 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 2ivx h ARG 255 Cb 0.52 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2ivx h ARG 255 CO 0.03 0.98 0.09 -0.91 -1.07 0.00 0.00 179.97 179.08 2ivx h ASN 256 N 0.91 1.03 -0.24 7.04 2.35 -0.94 -0.92 115.58 124.81 2ivx h ASN 256 Ca 0.16 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2ivx h ASN 256 Cb 0.54 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2ivx h ASN 256 CO 0.03 1.03 0.15 -0.25 -1.65 0.00 0.00 177.43 176.74 2ivx h TRP 257 N 1.01 0.29 -0.37 1.19 7.01 -0.62 -1.03 115.95 123.43 2ivx h TRP 257 Ca 0.20 0.01 -0.17 0.00 2.11 0.00 0.00 58.89 61.04 2ivx h TRP 257 Cb 0.45 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 2ivx h TRP 257 CO 0.03 0.18 -0.42 -0.09 -2.79 0.00 0.00 178.44 175.36 2ivx h ARG 258 N 0.31 0.93 -0.67 2.65 2.43 -1.08 -0.61 114.38 118.34 2ivx h ARG 258 Ca 0.09 -0.51 0.10 0.00 -0.81 0.00 0.00 59.98 58.85 2ivx h ARG 258 Cb -0.03 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.47 2ivx h ARG 258 CO -0.02 1.16 0.28 0.00 -1.51 0.00 0.00 179.97 179.87 2ivx h ALA 259 N 0.76 0.89 -0.47 2.80 0.00 -1.11 0.42 119.26 122.56 2ivx h ALA 259 Ca 0.05 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2ivx h ALA 259 Cb 1.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2ivx h ALA 259 CO 0.10 -0.16 0.07 -0.97 0.00 0.00 0.00 179.25 178.29 2ivx h ASN 260 N 0.47 0.74 -0.19 0.00 -0.73 -0.89 -3.07 115.58 111.90 2ivx h ASN 260 Ca 0.34 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 2ivx h ASN 260 Cb 0.43 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2ivx h ASN 260 CO -0.32 0.82 0.09 1.56 -0.37 0.00 0.00 177.43 179.21 2ivx h GLN 261 N 0.64 0.28 0.00 6.67 1.08 -0.42 -3.51 115.11 119.85 2ivx h GLN 261 Ca 0.14 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2ivx h GLN 261 Cb 0.39 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2ivx h GLN 261 CO 0.01 0.32 0.00 0.00 -0.95 0.00 0.00 178.83 178.21