#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivx s ILE 3 N 0.00 3.31 0.68 0.00 1.01 -1.26 -4.99 121.20 119.95 3ivx s ILE 3 Ca 0.00 1.30 -0.17 0.00 0.00 0.00 0.00 60.65 61.78 3ivx s ILE 3 Cb 0.00 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 3ivx s ILE 3 CO 0.00 0.30 1.10 -2.65 0.00 0.00 0.00 174.94 173.69 3ivx n PRO 4 N 1.20 0.75 -1.69 2.79 -0.02 -1.26 -4.88 135.00 131.89 3ivx n PRO 4 Ca -0.00 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.35 3ivx n PRO 4 Cb 0.44 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3ivx n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ivx n ALA 5 N -2.24 1.66 -3.73 3.55 0.00 -1.26 -4.90 120.51 113.59 3ivx n ALA 5 Ca 0.14 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.77 3ivx n ALA 5 Cb 0.49 -2.35 -0.17 0.00 0.00 0.00 0.00 19.45 17.41 3ivx n ALA 5 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ivx s PHE 6 N 0.18 0.51 -0.40 0.00 5.36 -1.26 -5.03 117.98 117.34 3ivx s PHE 6 Ca 0.69 -0.07 -0.08 0.00 -0.96 0.00 0.00 56.93 56.51 3ivx s PHE 6 Cb -0.60 -0.68 0.07 0.00 -0.34 0.00 0.00 43.02 41.48 3ivx s PHE 6 CO 0.46 -0.26 0.23 -1.01 -1.46 0.00 0.00 175.22 173.18 3ivx s HIS 7 N 1.79 3.34 0.42 10.12 3.76 -1.26 -5.08 115.29 128.38 3ivx s HIS 7 Ca 0.02 -1.58 -0.25 0.00 -0.15 0.00 0.00 55.06 53.09 3ivx s HIS 7 Cb -0.13 -2.86 -0.10 0.00 1.11 0.00 0.00 32.58 30.60 3ivx s HIS 7 CO -0.04 -0.84 1.25 -2.30 -0.85 0.00 0.00 174.74 171.97 3ivx n PRO 8 N 4.87 1.89 -0.98 8.40 -0.02 -1.26 -2.00 135.00 145.91 3ivx n PRO 8 Ca -0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3ivx n PRO 8 Cb 0.43 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3ivx n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ivx n GLY 9 N 0.84 0.24 3.53 -1.23 0.00 -1.26 -5.00 105.19 102.30 3ivx n GLY 9 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3ivx n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ivx s GLU 10 N -1.08 1.80 -0.46 1.61 2.02 -0.85 -5.05 118.70 116.70 3ivx s GLU 10 Ca 0.00 -1.89 -0.28 0.00 0.02 0.00 0.00 54.97 52.83 3ivx s GLU 10 Cb 0.00 -1.73 0.03 0.00 0.10 0.00 0.00 34.13 32.53 3ivx s GLU 10 CO 0.00 0.19 1.06 -1.17 0.02 0.00 0.00 175.26 175.35 3ivx s LEU 11 N -3.59 3.79 -0.22 1.80 2.96 -1.26 -4.31 118.68 117.84 3ivx s LEU 11 Ca 0.32 0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 54.54 3ivx s LEU 11 Cb 0.01 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3ivx s LEU 11 CO 0.16 -1.15 0.11 0.20 -1.32 0.00 0.00 176.35 174.36 3ivx s ASN 12 N 2.32 5.80 -0.16 3.68 0.01 0.38 -4.99 114.94 121.99 3ivx s ASN 12 Ca 0.44 0.05 -0.02 0.00 -0.71 0.00 0.00 52.86 52.62 3ivx s ASN 12 Cb -0.09 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 3ivx s ASN 12 CO 0.28 0.08 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.18 3ivx s VAL 13 N 0.94 3.36 -0.04 1.60 1.01 -1.26 -1.25 120.40 124.76 3ivx s VAL 13 Ca 0.06 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3ivx s VAL 13 Cb -0.13 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3ivx s VAL 13 CO 0.03 0.50 -0.11 -0.31 0.00 0.00 0.00 175.10 175.21 3ivx s TYR 14 N 0.58 1.22 -0.04 5.22 2.02 -0.26 -4.99 117.35 121.11 3ivx s TYR 14 Ca -0.05 -0.37 0.17 0.00 -0.37 0.00 0.00 57.07 56.44 3ivx s TYR 14 Cb -0.15 -0.88 -0.26 0.00 -0.40 0.00 0.00 41.96 40.27 3ivx s TYR 14 CO 0.03 -0.17 0.33 0.43 -1.57 0.00 0.00 175.55 174.60 3ivx n SER 15 N 3.50 1.12 -4.66 2.29 7.64 -1.26 -0.24 113.62 122.00 3ivx n SER 15 Ca -0.20 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.27 3ivx n SER 15 Cb 0.53 1.66 -0.05 0.00 -1.01 0.00 0.00 64.21 65.34 3ivx n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ivx s ALA 16 N -3.08 3.53 0.30 -0.43 0.00 -1.26 -3.88 121.76 116.95 3ivx s ALA 16 Ca -0.06 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.76 3ivx s ALA 16 Cb 0.10 -3.02 0.75 0.00 0.00 0.00 0.00 23.12 20.94 3ivx s ALA 16 CO 0.70 -0.56 1.77 -1.35 0.00 0.00 0.00 175.76 176.32 3ivx h PRO 17 N 7.43 0.72 -0.91 0.00 0.11 -1.91 -1.34 132.00 136.10 3ivx h PRO 17 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3ivx h PRO 17 Cb 1.14 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3ivx h PRO 17 CO 0.79 0.48 0.58 0.78 -0.21 0.00 0.00 178.00 180.41 3ivx h GLY 18 N 0.74 1.30 0.68 -0.55 0.00 -1.96 -1.03 103.07 102.25 3ivx h GLY 18 Ca 0.58 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3ivx h GLY 18 CO -0.39 0.50 -0.00 -0.55 0.00 0.00 0.00 176.54 176.10 3ivx h ASP 19 N 1.25 0.01 -0.32 0.19 3.32 -1.66 -1.56 116.42 117.65 3ivx h ASP 19 Ca 0.33 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3ivx h ASP 19 Cb -0.10 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3ivx h ASP 19 CO -0.07 0.33 0.07 1.62 -1.72 0.00 0.00 179.24 179.47 3ivx h VAL 20 N -0.32 1.20 -0.23 -1.35 3.04 -1.37 -1.27 116.25 115.95 3ivx h VAL 20 Ca 0.00 -0.73 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 3ivx h VAL 20 Cb 0.33 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 3ivx h VAL 20 CO 0.00 0.26 0.12 0.00 -1.01 0.00 0.00 177.57 176.94 3ivx h ALA 21 N 1.48 0.29 -0.60 3.17 0.00 -1.10 0.75 119.26 123.26 3ivx h ALA 21 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ivx h ALA 21 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ivx h ALA 21 CO 0.00 -0.17 0.27 -0.44 0.00 0.00 0.00 179.25 178.91 3ivx h ASP 22 N 0.25 0.80 -0.25 0.00 3.32 -0.94 -1.35 116.42 118.26 3ivx h ASP 22 Ca 0.08 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 3ivx h ASP 22 Cb 0.08 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3ivx h ASP 22 CO -0.01 0.73 -0.36 0.58 -1.72 0.00 0.00 179.24 178.46 3ivx h VAL 23 N 0.82 1.31 -0.51 -1.35 2.07 -1.04 -0.53 116.25 117.02 3ivx h VAL 23 Ca 0.20 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 3ivx h VAL 23 Cb 0.15 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3ivx h VAL 23 CO -0.02 0.49 0.31 -1.28 0.02 0.00 0.00 177.57 177.09 3ivx h SER 24 N 0.41 0.62 -0.15 0.57 0.87 -0.80 0.16 113.55 115.23 3ivx h SER 24 Ca 0.03 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3ivx h SER 24 Cb 0.95 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3ivx h SER 24 CO 0.08 0.49 0.07 -0.09 -0.53 0.00 0.00 176.83 176.86 3ivx h ARG 25 N 0.69 0.22 -0.71 2.24 2.43 -1.15 -0.30 114.38 117.79 3ivx h ARG 25 Ca 0.18 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.43 3ivx h ARG 25 Cb -0.01 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.42 3ivx h ARG 25 CO -0.03 0.26 0.32 0.00 -1.51 0.00 0.00 179.97 179.00 3ivx h ALA 26 N 0.95 0.98 -0.35 2.80 0.00 -0.87 -1.79 119.26 120.98 3ivx h ALA 26 Ca 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ivx h ALA 26 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ivx h ALA 26 CO -0.01 -0.12 0.06 -0.07 0.00 0.00 0.00 179.25 179.11 3ivx h LEU 27 N 0.52 0.55 -0.81 0.00 3.38 -0.37 -2.90 115.31 115.68 3ivx h LEU 27 Ca 0.37 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3ivx h LEU 27 Cb 0.46 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3ivx h LEU 27 CO -0.32 0.66 0.52 -0.09 0.09 0.00 0.00 178.44 179.31 3ivx h ARG 28 N 0.41 1.01 0.00 1.13 9.65 -0.76 -2.35 114.38 123.47 3ivx h ARG 28 Ca 0.11 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3ivx h ARG 28 Cb 0.35 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3ivx h ARG 28 CO 0.01 0.67 -0.12 -0.07 2.80 0.00 0.00 179.97 183.25 3ivx h LEU 29 N 1.04 0.00 -0.50 3.80 3.38 -1.26 -1.59 115.31 120.18 3ivx h LEU 29 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ivx h LEU 29 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ivx h LEU 29 CO -0.09 0.12 -0.03 0.35 0.09 0.00 0.00 178.44 178.88 3ivx n THR 30 N -3.91 0.00 0.00 0.22 -2.24 -0.91 -4.94 114.28 102.50 3ivx n THR 30 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ivx n THR 30 Cb 0.22 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3ivx n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ivx n GLY 31 N 1.15 2.71 3.76 3.38 0.00 -0.60 -5.09 105.19 110.51 3ivx n GLY 31 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3ivx n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ivx s ARG 32 N -0.40 3.56 -0.24 1.61 1.81 -1.07 -4.98 118.95 119.23 3ivx s ARG 32 Ca 0.00 2.24 -0.14 0.00 -1.72 0.00 0.00 55.73 56.11 3ivx s ARG 32 Cb 0.00 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.95 3ivx s ARG 32 CO 0.00 -0.86 0.34 1.03 -0.68 0.00 0.00 175.30 175.14 3ivx s ARG 33 N -2.59 4.08 -0.21 3.54 1.81 -0.57 -4.23 118.95 120.77 3ivx s ARG 33 Ca 0.64 0.04 -0.20 0.00 -1.72 0.00 0.00 55.73 54.49 3ivx s ARG 33 Cb -0.40 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.48 3ivx s ARG 33 CO 0.50 -0.14 0.59 0.08 -0.68 0.00 0.00 175.30 175.65 3ivx s VAL 34 N 1.64 5.04 -0.11 3.52 1.01 -1.26 -0.89 120.40 129.35 3ivx s VAL 34 Ca 0.15 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3ivx s VAL 34 Cb -0.15 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3ivx s VAL 34 CO 0.08 0.11 -0.11 -0.04 0.00 0.00 0.00 175.10 175.14 3ivx s MET 35 N 1.97 3.16 -0.12 2.72 -1.94 -0.19 0.32 119.30 125.22 3ivx s MET 35 Ca 0.26 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 3ivx s MET 35 Cb -0.16 -2.61 -0.02 0.00 2.01 0.00 0.00 34.83 34.06 3ivx s MET 35 CO 0.10 0.36 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.17 3ivx s LEU 36 N -0.02 2.78 -0.37 -0.03 2.96 -0.31 -0.25 118.68 123.44 3ivx s LEU 36 Ca -0.03 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3ivx s LEU 36 Cb -0.14 -1.62 0.11 0.00 0.50 0.00 0.00 46.19 45.04 3ivx s LEU 36 CO 0.04 0.19 0.11 -0.69 -1.32 0.00 0.00 176.35 174.68 3ivx s VAL 37 N 0.19 1.87 0.11 1.68 1.01 0.18 -1.09 120.40 124.36 3ivx s VAL 37 Ca -0.07 -2.25 -0.29 0.00 0.00 0.00 0.00 61.98 59.37 3ivx s VAL 37 Cb -0.15 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 3ivx s VAL 37 CO 0.05 -0.67 0.91 -2.84 0.00 0.00 0.00 175.10 172.54 3ivx s PRO 38 N 0.88 4.67 0.16 2.72 0.02 -1.26 -2.07 135.00 140.12 3ivx s PRO 38 Ca 0.12 1.36 -0.06 0.00 0.02 0.00 0.00 61.00 62.45 3ivx s PRO 38 Cb -0.20 -3.36 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 3ivx s PRO 38 CO -0.11 0.28 0.20 0.95 -0.33 0.00 0.00 177.00 178.00 3ivx s THR 39 N -0.21 0.06 -0.25 0.99 -4.23 -0.11 -4.93 115.64 106.97 3ivx s THR 39 Ca 0.44 -1.65 0.13 0.00 -1.18 0.00 0.00 61.69 59.43 3ivx s THR 39 Cb -0.23 -2.03 0.59 0.00 1.34 0.00 0.00 72.50 72.17 3ivx s THR 39 CO 0.28 -0.29 1.55 0.23 -0.54 0.00 0.00 174.62 175.86 3ivx n MET 40 N -0.20 2.87 0.00 3.99 2.81 -1.26 -1.85 117.12 123.48 3ivx n MET 40 Ca -0.05 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 3ivx n MET 40 Cb 0.64 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3ivx n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ivx n GLY 41 N -0.58 -1.16 3.75 3.03 0.00 -1.26 -4.68 105.19 104.30 3ivx n GLY 41 Ca 0.31 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3ivx n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivx n ALA 42 N 1.50 -2.57 -2.01 4.61 0.00 -1.26 -4.85 120.51 115.93 3ivx n ALA 42 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3ivx n ALA 42 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 19.45 15.60 3ivx n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ivx s LEU 43 N -6.63 4.45 0.00 0.00 1.43 -1.26 -4.95 118.68 111.72 3ivx s LEU 43 Ca 0.47 2.30 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 3ivx s LEU 43 Cb -0.19 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 3ivx s LEU 43 CO 0.88 -0.41 0.04 0.00 0.23 0.00 0.00 176.35 177.10 3ivx n HIS 44 N 2.38 0.24 0.21 0.29 1.44 -1.26 -5.01 115.22 113.50 3ivx n HIS 44 Ca 0.04 -1.19 0.05 0.00 -2.01 0.00 0.00 57.72 54.61 3ivx n HIS 44 Cb 0.44 -0.06 0.51 0.00 0.12 0.00 0.00 29.99 31.00 3ivx n HIS 44 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3ivx h GLU 45 N 0.00 0.04 -0.10 -1.40 4.39 -1.99 -0.71 114.58 114.82 3ivx h GLU 45 Ca -0.16 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.57 3ivx h GLU 45 Cb 0.57 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 3ivx h GLU 45 CO 0.27 0.18 -0.15 0.78 -1.16 0.00 0.00 179.01 178.93 3ivx h GLY 46 N 0.49 -0.11 0.92 -3.84 0.00 -1.96 0.22 103.07 98.79 3ivx h GLY 46 Ca 0.01 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.54 3ivx h GLY 46 CO 0.02 -0.15 0.39 0.45 0.00 0.00 0.00 176.54 177.25 3ivx h HIS 47 N -0.20 0.74 -0.45 5.60 3.86 -1.54 -1.95 115.15 121.21 3ivx h HIS 47 Ca 0.09 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3ivx h HIS 47 Cb 0.33 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3ivx h HIS 47 CO -0.26 0.44 0.16 -0.07 0.86 0.00 0.00 177.93 179.06 3ivx h LEU 48 N 0.79 0.59 -1.00 2.43 3.38 -1.03 -0.42 115.31 120.04 3ivx h LEU 48 Ca 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ivx h LEU 48 Cb -0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3ivx h LEU 48 CO -0.08 0.55 0.62 0.00 0.09 0.00 0.00 178.44 179.62 3ivx h ALA 49 N 1.54 1.26 -0.17 1.53 0.00 -0.43 0.26 119.26 123.25 3ivx h ALA 49 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ivx h ALA 49 Cb 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ivx h ALA 49 CO -0.01 0.66 0.09 -0.07 0.00 0.00 0.00 179.25 179.92 3ivx h LEU 50 N 1.33 0.22 -0.38 0.00 3.38 -0.42 -1.86 115.31 117.59 3ivx h LEU 50 Ca 0.35 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.26 3ivx h LEU 50 Cb -0.12 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3ivx h LEU 50 CO -0.07 0.26 0.15 0.58 0.09 0.00 0.00 178.44 179.44 3ivx h VAL 51 N 0.17 0.91 -0.73 1.22 2.07 -0.86 -0.63 116.25 118.39 3ivx h VAL 51 Ca 0.06 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3ivx h VAL 51 Cb 0.09 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3ivx h VAL 51 CO -0.01 0.06 0.25 0.03 0.02 0.00 0.00 177.57 177.91 3ivx h ARG 52 N 0.31 1.12 -0.23 1.57 3.08 -0.38 0.40 114.38 120.26 3ivx h ARG 52 Ca 0.17 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3ivx h ARG 52 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3ivx h ARG 52 CO -0.16 0.95 0.14 0.00 -1.07 0.00 0.00 179.97 179.83 3ivx h ALA 53 N 1.18 0.30 -0.51 0.04 0.00 -1.01 -2.72 119.26 116.53 3ivx h ALA 53 Ca 0.24 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ivx h ALA 53 Cb 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3ivx h ALA 53 CO -0.01 -0.20 0.27 0.00 0.00 0.00 0.00 179.25 179.31 3ivx h ALA 54 N 1.05 0.66 0.00 0.00 0.00 -0.65 -2.71 119.26 117.60 3ivx h ALA 54 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ivx h ALA 54 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ivx h ALA 54 CO -0.02 -0.08 -0.01 0.87 0.00 0.00 0.00 179.25 180.02 3ivx h LYS 55 N 0.52 0.00 0.00 0.00 1.57 -0.72 -2.93 116.57 115.00 3ivx h LYS 55 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3ivx h LYS 55 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3ivx h LYS 55 CO -0.15 0.01 -0.07 0.00 -0.57 0.00 0.00 179.45 178.67 3ivx h ARG 56 N 0.00 0.00 -6.23 3.15 3.08 -1.18 -3.44 114.38 109.76 3ivx h ARG 56 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3ivx h ARG 56 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3ivx h ARG 56 CO 0.00 0.07 0.85 0.08 -1.07 0.00 0.00 179.97 179.90 3ivx s VAL 57 N -3.67 4.15 0.22 2.04 1.01 -1.11 -4.95 120.40 118.09 3ivx s VAL 57 Ca 0.01 1.44 -0.32 0.00 0.00 0.00 0.00 61.98 63.11 3ivx s VAL 57 Cb 0.09 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.41 3ivx s VAL 57 CO 0.57 -0.07 1.48 -2.65 0.00 0.00 0.00 175.10 174.43 3ivx n PRO 58 N 6.08 2.15 -1.06 2.72 -0.02 -1.26 -1.83 135.00 141.77 3ivx n PRO 58 Ca 0.13 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 3ivx n PRO 58 Cb 0.45 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 3ivx n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ivx n GLY 59 N 2.55 0.56 3.77 -1.23 0.00 -1.26 -4.74 105.19 104.84 3ivx n GLY 59 Ca 0.13 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3ivx n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ivx s SER 60 N -2.57 6.37 -0.07 1.61 0.01 -0.76 -1.51 113.70 116.78 3ivx s SER 60 Ca 0.00 2.41 0.04 0.00 1.31 0.00 0.00 55.95 59.71 3ivx s SER 60 Cb 0.00 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 3ivx s SER 60 CO 0.00 -0.79 -0.20 0.54 0.41 0.00 0.00 173.24 173.21 3ivx s VAL 61 N -1.41 2.51 -0.21 3.43 0.11 -0.07 -4.83 120.40 119.94 3ivx s VAL 61 Ca 0.59 -0.89 -0.07 0.00 -2.93 0.00 0.00 61.98 58.67 3ivx s VAL 61 Cb -0.32 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 3ivx s VAL 61 CO 0.40 0.56 0.07 -0.69 -3.33 0.00 0.00 175.10 172.12 3ivx s VAL 62 N -0.16 4.65 -0.23 2.04 1.01 -1.26 -1.02 120.40 125.43 3ivx s VAL 62 Ca -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3ivx s VAL 62 Cb -0.14 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3ivx s VAL 62 CO 0.04 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 3ivx s VAL 63 N 0.85 3.78 -0.25 2.92 1.01 0.65 -2.01 120.40 127.35 3ivx s VAL 63 Ca 0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3ivx s VAL 63 Cb -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3ivx s VAL 63 CO 0.02 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 3ivx s VAL 64 N 1.54 3.60 0.09 2.92 1.01 -0.26 -0.64 120.40 128.65 3ivx s VAL 64 Ca 0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3ivx s VAL 64 Cb -0.15 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.43 3ivx s VAL 64 CO -0.00 0.27 0.46 -0.94 0.00 0.00 0.00 175.10 174.88 3ivx s SER 65 N 1.48 6.75 -0.21 3.32 1.04 -0.88 -0.90 113.70 124.29 3ivx s SER 65 Ca 0.04 0.93 -0.00 0.00 0.48 0.00 0.00 55.95 57.40 3ivx s SER 65 Cb -0.16 -2.23 0.06 0.00 0.10 0.00 0.00 66.02 63.79 3ivx s SER 65 CO -0.01 0.18 -0.04 -0.63 0.98 0.00 0.00 173.24 173.72 3ivx s ILE 66 N -1.35 1.30 -0.24 -1.02 1.01 -0.09 -0.94 121.20 119.87 3ivx s ILE 66 Ca 0.33 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 3ivx s ILE 66 Cb -0.15 -1.58 0.09 0.00 0.01 0.00 0.00 42.46 40.84 3ivx s ILE 66 CO 0.18 -0.05 0.56 0.12 0.00 0.00 0.00 174.94 175.74 3ivx s PHE 67 N 1.51 -0.99 -0.52 3.97 5.36 -0.77 -4.06 117.98 122.48 3ivx s PHE 67 Ca -0.04 1.87 -0.21 0.00 -0.96 0.00 0.00 56.93 57.60 3ivx s PHE 67 Cb -0.18 0.53 0.05 0.00 -0.34 0.00 0.00 43.02 43.08 3ivx s PHE 67 CO -0.07 -0.52 0.75 0.08 -1.46 0.00 0.00 175.22 174.00 3ivx s VAL 68 N 2.17 4.69 -0.17 3.12 1.01 -1.26 -4.35 120.40 125.61 3ivx s VAL 68 Ca -0.07 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 3ivx s VAL 68 Cb -0.09 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 3ivx s VAL 68 CO -0.17 -0.91 1.16 0.21 0.00 0.00 0.00 175.10 175.40 3ivx s ASN 69 N 2.72 7.03 0.26 3.32 2.47 -1.26 -4.92 114.94 124.55 3ivx s ASN 69 Ca 0.21 1.60 -0.03 0.00 0.42 0.00 0.00 52.86 55.06 3ivx s ASN 69 Cb -0.16 -2.54 0.31 0.00 -1.45 0.00 0.00 41.25 37.41 3ivx s ASN 69 CO 0.15 -0.69 1.78 1.55 -3.72 0.00 0.00 177.10 176.17 3ivx h PRO 70 N 7.79 0.89 0.00 0.43 0.13 -1.98 -3.23 132.00 136.02 3ivx h PRO 70 Ca -0.25 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3ivx h PRO 70 Cb 1.10 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 3ivx h PRO 70 CO 0.95 0.82 -0.13 1.98 -0.23 0.00 0.00 178.00 181.39 3ivx h MET 71 N 0.85 0.00 0.00 0.86 4.05 -1.91 -3.52 114.93 115.25 3ivx h MET 71 Ca 0.18 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 3ivx h MET 71 Cb 0.36 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3ivx h MET 71 CO 0.01 0.13 0.00 0.00 0.23 0.00 0.00 176.91 177.28 3ivx n GLN 72 N -3.64 0.00 -2.58 0.39 10.64 -1.22 -4.30 117.38 116.66 3ivx n GLN 72 Ca -0.02 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.72 3ivx n GLN 72 Cb 0.26 -0.06 -0.02 0.00 -0.86 0.00 0.00 30.24 29.55 3ivx n GLN 72 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 3ivx s THR 85 N 0.00 4.41 0.18 -0.39 -4.23 -1.26 -4.83 115.64 109.52 3ivx s THR 85 Ca 0.00 1.62 -0.14 0.00 -1.18 0.00 0.00 61.69 61.99 3ivx s THR 85 Cb 0.00 -4.35 0.09 0.00 1.34 0.00 0.00 72.50 69.58 3ivx s THR 85 CO 0.00 -0.48 1.71 -0.65 -0.54 0.00 0.00 174.62 174.66 3ivx h PRO 86 N 8.38 0.18 -0.16 3.99 0.11 -2.01 0.12 132.00 142.62 3ivx h PRO 86 Ca -0.22 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.69 3ivx h PRO 86 Cb 1.07 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ivx h PRO 86 CO 1.03 0.12 -0.65 -0.44 -0.21 0.00 0.00 178.00 177.85 3ivx h ASP 87 N 0.19 0.69 -0.50 -2.05 3.32 -2.05 -2.47 116.42 113.55 3ivx h ASP 87 Ca 0.22 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 3ivx h ASP 87 Cb 0.29 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3ivx h ASP 87 CO -0.31 1.16 0.15 -0.78 -1.72 0.00 0.00 179.24 177.74 3ivx h ASP 88 N 0.44 0.73 -0.22 6.45 3.58 -1.92 -2.02 116.42 123.45 3ivx h ASP 88 Ca -0.02 -0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.27 3ivx h ASP 88 Cb 1.23 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 42.04 3ivx h ASP 88 CO 0.12 0.75 -0.11 0.44 -2.88 0.00 0.00 179.24 177.57 3ivx h ASP 89 N 0.68 -0.36 -0.56 2.28 3.32 -0.60 0.33 116.42 121.50 3ivx h ASP 89 Ca 0.16 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 3ivx h ASP 89 Cb 0.29 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3ivx h ASP 89 CO -0.00 -0.14 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.28 3ivx h LEU 90 N -0.08 1.01 -0.53 1.55 3.38 -1.43 -1.54 115.31 117.67 3ivx h LEU 90 Ca 0.12 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3ivx h LEU 90 Cb 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3ivx h LEU 90 CO -0.27 1.07 0.28 0.00 0.09 0.00 0.00 178.44 179.61 3ivx h ALA 91 N 1.02 0.68 -0.72 1.53 0.00 -0.93 0.24 119.26 121.09 3ivx h ALA 91 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ivx h ALA 91 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3ivx h ALA 91 CO 0.03 -0.06 0.43 1.96 0.00 0.00 0.00 179.25 181.61 3ivx h GLN 92 N 0.54 0.98 -0.36 0.00 4.20 -0.57 -0.44 115.11 119.46 3ivx h GLN 92 Ca 0.23 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3ivx h GLN 92 Cb 0.13 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3ivx h GLN 92 CO -0.15 0.70 0.00 -0.07 -0.67 0.00 0.00 178.83 178.64 3ivx h LEU 93 N 0.99 0.62 -0.53 1.46 3.38 -0.87 -1.62 115.31 118.73 3ivx h LEU 93 Ca 0.26 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ivx h LEU 93 Cb -0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3ivx h LEU 93 CO -0.05 0.77 0.30 -0.09 0.09 0.00 0.00 178.44 179.46 3ivx h ARG 94 N 0.44 0.57 -0.71 1.13 2.43 -0.80 -1.46 114.38 115.98 3ivx h ARG 94 Ca 0.10 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3ivx h ARG 94 Cb 0.46 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3ivx h ARG 94 CO 0.02 0.37 0.47 0.00 -1.51 0.00 0.00 179.97 179.32 3ivx h ALA 95 N 1.26 1.88 -0.00 2.80 0.00 -0.93 -1.90 119.26 122.37 3ivx h ALA 95 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ivx h ALA 95 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ivx h ALA 95 CO -0.13 -0.04 -0.04 0.39 0.00 0.00 0.00 179.25 179.44 3ivx n GLU 96 N -4.49 0.96 -1.94 0.00 -0.58 -0.62 -4.93 120.64 109.04 3ivx n GLU 96 Ca 0.12 -0.28 -0.07 0.00 -0.42 0.00 0.00 57.16 56.51 3ivx n GLU 96 Cb 0.35 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.72 3ivx n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ivx n GLY 97 N 1.16 0.25 3.72 0.62 0.00 -0.71 -5.02 105.19 105.22 3ivx n GLY 97 Ca 0.19 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3ivx n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivx s VAL 98 N -2.35 4.07 -0.16 1.61 1.01 -0.64 -4.93 120.40 119.00 3ivx s VAL 98 Ca 0.00 1.61 0.22 0.00 0.00 0.00 0.00 61.98 63.81 3ivx s VAL 98 Cb 0.00 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 3ivx s VAL 98 CO 0.00 0.19 0.84 -0.62 0.00 0.00 0.00 175.10 175.51 3ivx n GLU 99 N 3.22 0.62 -4.05 2.72 1.02 -1.22 -4.03 120.64 118.93 3ivx n GLU 99 Ca 0.06 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 57.01 3ivx n GLU 99 Cb 0.47 -1.73 -0.17 0.00 -0.02 0.00 0.00 31.44 29.99 3ivx n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ivx s ILE 100 N -3.36 0.58 -0.12 -3.67 1.01 -0.85 -0.47 121.20 114.32 3ivx s ILE 100 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3ivx s ILE 100 Cb 0.11 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 3ivx s ILE 100 CO 0.83 0.26 -0.07 0.00 0.00 0.00 0.00 174.94 175.95 3ivx s ALA 101 N 1.27 2.89 -0.29 9.38 0.00 -0.38 -1.10 121.76 133.54 3ivx s ALA 101 Ca -0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3ivx s ALA 101 Cb -0.14 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.66 3ivx s ALA 101 CO -0.02 0.34 0.01 0.12 0.00 0.00 0.00 175.76 176.20 3ivx s PHE 102 N -0.01 3.17 -0.58 0.00 5.36 -0.08 -1.10 117.98 124.73 3ivx s PHE 102 Ca -0.01 -1.54 0.06 0.00 -0.96 0.00 0.00 56.93 54.49 3ivx s PHE 102 Cb -0.14 -2.14 0.25 0.00 -0.34 0.00 0.00 43.02 40.65 3ivx s PHE 102 CO 0.03 -0.73 0.69 0.25 -1.46 0.00 0.00 175.22 174.00 3ivx n THR 103 N 4.71 1.65 -2.20 0.12 -2.24 0.66 -0.92 114.28 116.07 3ivx n THR 103 Ca -0.14 -4.94 -0.31 0.00 -2.27 0.00 0.00 64.05 56.39 3ivx n THR 103 Cb 0.46 -2.07 -0.01 0.00 -2.10 0.00 0.00 70.33 66.61 3ivx n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ivx s PRO 104 N -2.15 3.73 0.65 -0.78 0.04 -1.25 -4.38 135.00 130.85 3ivx s PRO 104 Ca 0.38 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 3ivx s PRO 104 Cb 0.15 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3ivx s PRO 104 CO -0.04 -0.39 1.05 0.95 0.04 0.00 0.00 177.00 178.61 3ivx s THR 105 N -2.89 4.33 0.19 1.26 -4.23 -1.26 -4.86 115.64 108.18 3ivx s THR 105 Ca 0.55 0.76 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 3ivx s THR 105 Cb -0.11 -3.69 0.10 0.00 1.34 0.00 0.00 72.50 70.15 3ivx s THR 105 CO 0.44 -0.99 1.76 0.74 -0.54 0.00 0.00 174.62 176.03 3ivx h THR 106 N -0.48 0.85 -0.86 3.99 2.02 -1.97 -2.24 112.91 114.22 3ivx h THR 106 Ca -0.44 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 66.69 3ivx h THR 106 Cb 1.21 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 3ivx h THR 106 CO 0.61 0.07 0.56 0.00 0.37 0.00 0.00 175.52 177.14 3ivx h ALA 107 N 1.34 1.64 -0.25 6.16 0.00 -1.95 0.22 119.26 126.42 3ivx h ALA 107 Ca 0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3ivx h ALA 107 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ivx h ALA 107 CO -0.23 0.20 -0.41 0.00 0.00 0.00 0.00 179.25 178.80 3ivx h ALA 108 N 1.56 0.83 0.02 0.00 0.00 -1.83 -1.66 119.26 118.17 3ivx h ALA 108 Ca 0.39 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 3ivx h ALA 108 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ivx h ALA 108 CO -0.16 0.65 -0.96 0.52 0.00 0.00 0.00 179.25 179.30 3ivx h MET 109 N 0.48 0.28 -2.17 0.00 2.86 -0.92 -3.37 114.93 112.09 3ivx h MET 109 Ca 0.04 -0.33 -0.55 0.00 -2.06 0.00 0.00 59.70 56.80 3ivx h MET 109 Cb 0.92 0.10 -0.41 0.00 0.06 0.00 0.00 31.60 32.27 3ivx h MET 109 CO 0.08 1.05 -0.86 0.66 1.06 0.00 0.00 176.91 178.91 3ivx n TYR 110 N -3.66 2.47 0.27 -0.22 4.01 0.72 -4.92 117.16 115.83 3ivx n TYR 110 Ca -0.05 -3.93 0.13 0.00 -0.16 0.00 0.00 57.90 53.89 3ivx n TYR 110 Cb 0.85 -0.46 0.74 0.00 -0.31 0.00 0.00 39.34 40.16 3ivx n TYR 110 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ivx h PRO 111 N 3.10 0.00 -0.43 -0.72 0.13 -1.48 -1.50 132.00 131.10 3ivx h PRO 111 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ivx h PRO 111 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3ivx h PRO 111 CO 0.69 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.32 3ivx n ASP 112 N -3.57 4.73 -0.13 1.44 8.00 -1.26 -5.07 116.55 120.69 3ivx n ASP 112 Ca -0.02 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.57 3ivx n ASP 112 Cb 0.24 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3ivx n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ivx n GLY 113 N 0.13 0.13 3.67 0.44 0.00 -0.57 -4.68 105.19 104.31 3ivx n GLY 113 Ca 0.24 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3ivx n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ivx s LEU 114 N 0.00 4.16 0.00 0.99 1.43 -1.26 -4.87 118.68 119.13 3ivx s LEU 114 Ca 0.00 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 3ivx s LEU 114 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3ivx s LEU 114 CO 0.00 -0.63 0.00 -1.14 0.23 0.00 0.00 176.35 174.81 3ivx n ARG 115 N 5.99 0.00 -2.41 1.70 0.63 -1.26 -5.08 116.66 116.23 3ivx n ARG 115 Ca 0.12 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.63 3ivx n ARG 115 Cb 0.46 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.34 3ivx n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3ivx s THR 116 N 0.74 3.95 0.22 5.15 2.01 -1.26 -5.02 115.64 121.43 3ivx s THR 116 Ca 0.00 1.42 0.00 0.00 0.31 0.00 0.00 61.69 63.42 3ivx s THR 116 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3ivx s THR 116 CO 0.00 0.12 0.11 0.42 -0.69 0.00 0.00 174.62 174.59 3ivx s THR 117 N 0.93 0.27 -0.06 -0.82 -4.23 -1.26 -5.11 115.64 105.35 3ivx s THR 117 Ca 0.58 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.93 3ivx s THR 117 Cb -0.30 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 3ivx s THR 117 CO 0.30 -0.02 0.46 -0.69 -0.54 0.00 0.00 174.62 174.13 3ivx s VAL 118 N -3.96 5.09 -0.36 2.29 1.01 -1.26 -5.06 120.40 118.14 3ivx s VAL 118 Ca 0.38 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 3ivx s VAL 118 Cb 0.07 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3ivx s VAL 118 CO 0.12 0.44 0.17 -1.58 0.00 0.00 0.00 175.10 174.25 3ivx s GLN 119 N -0.16 2.75 0.85 2.72 2.00 -1.26 -4.68 119.66 121.88 3ivx s GLN 119 Ca 0.25 -1.12 -0.12 0.00 -2.00 0.00 0.00 55.36 52.37 3ivx s GLN 119 Cb -0.16 -3.63 0.10 0.00 0.80 0.00 0.00 33.01 30.12 3ivx s GLN 119 CO 0.12 -0.69 1.16 -2.30 -0.50 0.00 0.00 175.29 173.09 3ivx n PRO 120 N 4.93 -0.04 -1.18 1.67 -0.02 -1.26 -5.03 135.00 134.07 3ivx n PRO 120 Ca -0.12 0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.13 3ivx n PRO 120 Cb 0.45 -2.40 0.24 0.00 -0.02 0.00 0.00 33.50 31.77 3ivx n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ivx n GLY 121 N 0.49 -2.55 0.36 -1.23 0.00 -1.26 -4.87 105.19 96.13 3ivx n GLY 121 Ca 0.13 -1.53 0.19 0.00 0.00 0.00 0.00 46.02 44.80 3ivx n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ivx h PRO 122 N 0.00 0.00 -0.53 1.61 0.11 -2.03 -1.60 132.00 129.56 3ivx h PRO 122 Ca -0.41 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.79 3ivx h PRO 122 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3ivx h PRO 122 CO 0.27 0.00 0.36 1.25 -0.21 0.00 0.00 178.00 179.67 3ivx h LEU 123 N 0.00 0.29 -1.56 2.35 5.85 -1.97 -2.10 115.31 118.17 3ivx h LEU 123 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ivx h LEU 123 Cb 0.78 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3ivx h LEU 123 CO -0.00 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 3ivx h ALA 124 N 1.73 1.00 0.00 1.25 0.00 -1.62 -1.88 119.26 119.74 3ivx h ALA 124 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ivx h ALA 124 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ivx h ALA 124 CO -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 179.25 178.74 3ivx n ALA 125 N -1.88 2.93 -2.34 0.00 0.00 -0.79 -3.89 120.51 114.54 3ivx n ALA 125 Ca -0.01 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 3ivx n ALA 125 Cb 0.13 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.36 3ivx n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ivx s GLU 126 N -3.10 3.03 4.73 0.00 2.02 -0.71 -3.83 118.70 120.85 3ivx s GLU 126 Ca 0.09 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3ivx s GLU 126 Cb 0.15 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3ivx s GLU 126 CO 0.68 -0.19 0.00 1.28 0.02 0.00 0.00 175.26 177.05 3ivx n LEU 127 N -1.94 0.00 0.27 1.80 4.77 -1.26 -0.29 117.00 120.35 3ivx n LEU 127 Ca 0.02 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.16 3ivx n LEU 127 Cb 0.58 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.29 3ivx n LEU 127 CO 0.45 0.00 0.97 -0.33 -1.33 0.00 0.00 177.39 177.15 3ivx h GLU 128 N 0.00 0.00 0.00 3.23 4.39 -1.92 -2.61 114.58 117.67 3ivx h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ivx h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ivx h GLU 128 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3ivx n GLY 129 N 0.17 -0.81 0.11 -3.84 0.00 0.60 -2.19 105.19 99.22 3ivx n GLY 129 Ca 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 3ivx n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ivx h GLY 130 N 4.18 -0.16 2.00 -0.02 0.00 -1.56 -2.79 103.07 104.71 3ivx h GLY 130 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ivx h GLY 130 CO 0.00 -0.06 0.00 -0.56 0.00 0.00 0.00 176.54 175.92 3ivx h PRO 131 N -1.04 0.00 -2.32 4.80 0.13 -1.76 -3.39 132.00 128.42 3ivx h PRO 131 Ca -0.02 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.53 3ivx h PRO 131 Cb 0.12 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.87 3ivx h PRO 131 CO 0.03 0.00 -0.99 0.54 -0.23 0.00 0.00 178.00 177.34 3ivx n ARG 132 N -2.98 0.27 0.21 0.86 1.74 -0.93 -5.00 116.66 110.83 3ivx n ARG 132 Ca 0.01 -3.19 0.14 0.00 -0.77 0.00 0.00 57.85 54.03 3ivx n ARG 132 Cb 0.28 -1.62 0.76 0.00 -1.02 0.00 0.00 32.46 30.86 3ivx n ARG 132 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ivx h PRO 133 N 5.41 0.00 -0.01 5.56 0.13 -1.70 -2.89 132.00 138.50 3ivx h PRO 133 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 3ivx h PRO 133 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3ivx h PRO 133 CO 0.39 0.00 -0.41 0.25 -0.23 0.00 0.00 178.00 177.99 3ivx n THR 134 N -4.17 0.00 -0.17 1.56 -2.24 -1.26 -4.64 114.28 103.36 3ivx n THR 134 Ca 0.00 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 3ivx n THR 134 Cb 0.23 1.09 0.04 0.00 -2.10 0.00 0.00 70.33 69.59 3ivx n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3ivx h HIS 135 N 0.85 -0.29 0.00 4.78 6.17 -1.81 -2.28 115.15 122.57 3ivx h HIS 135 Ca 0.00 0.05 -0.10 0.00 0.71 0.00 0.00 60.37 61.03 3ivx h HIS 135 Cb 0.39 0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 3ivx h HIS 135 CO 0.00 -0.23 -0.48 0.74 0.71 0.00 0.00 177.93 178.67 3ivx h PHE 136 N -0.01 0.00 -0.33 5.26 0.04 -1.82 -2.17 116.94 117.91 3ivx h PHE 136 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 3ivx h PHE 136 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 3ivx h PHE 136 CO -0.45 0.48 0.22 0.00 -0.60 0.00 0.00 178.31 177.96 3ivx h ALA 137 N 1.52 0.42 -0.47 2.45 0.00 -1.69 0.12 119.26 121.62 3ivx h ALA 137 Ca -0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ivx h ALA 137 Cb 0.91 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3ivx h ALA 137 CO 0.06 -0.11 0.23 0.78 0.00 0.00 0.00 179.25 180.21 3ivx h GLY 138 N 0.45 0.65 0.85 0.00 0.00 -1.28 -1.83 103.07 101.92 3ivx h GLY 138 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3ivx h GLY 138 CO -0.03 0.10 0.03 -2.08 0.00 0.00 0.00 176.54 174.56 3ivx h VAL 139 N 0.45 1.14 -0.52 4.60 2.07 -1.04 -2.05 116.25 120.91 3ivx h VAL 139 Ca 0.21 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3ivx h VAL 139 Cb 0.13 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ivx h VAL 139 CO -0.16 0.12 0.12 -0.07 0.02 0.00 0.00 177.57 177.60 3ivx h LEU 140 N -0.06 0.74 -0.23 2.57 3.38 -0.68 0.54 115.31 121.57 3ivx h LEU 140 Ca 0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3ivx h LEU 140 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ivx h LEU 140 CO -0.00 0.73 0.00 0.74 0.09 0.00 0.00 178.44 180.00 3ivx h THR 141 N 0.77 1.25 -0.36 0.22 2.02 -1.24 -0.27 112.91 115.29 3ivx h THR 141 Ca 0.17 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 3ivx h THR 141 Cb 0.29 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3ivx h THR 141 CO -0.00 0.28 -0.01 0.58 0.37 0.00 0.00 175.52 176.74 3ivx h VAL 142 N 0.18 1.26 -0.36 3.16 2.07 -1.12 -2.05 116.25 119.39 3ivx h VAL 142 Ca 0.07 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3ivx h VAL 142 Cb 0.40 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3ivx h VAL 142 CO 0.01 0.33 0.23 0.58 0.02 0.00 0.00 177.57 178.75 3ivx h VAL 143 N 0.46 1.08 -0.45 2.57 2.07 -0.83 0.32 116.25 121.48 3ivx h VAL 143 Ca 0.10 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3ivx h VAL 143 Cb 0.48 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3ivx h VAL 143 CO 0.02 0.09 0.14 0.25 0.02 0.00 0.00 177.57 178.09 3ivx h LEU 144 N 0.48 0.13 -0.26 2.57 5.85 -0.96 -0.35 115.31 122.75 3ivx h LEU 144 Ca 0.13 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3ivx h LEU 144 Cb -0.05 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3ivx h LEU 144 CO -0.03 0.10 0.14 0.11 -0.34 0.00 0.00 178.44 178.42 3ivx h LYS 145 N 0.30 0.29 -0.78 1.25 1.57 -0.93 -1.57 116.57 116.70 3ivx h LYS 145 Ca 0.21 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3ivx h LYS 145 Cb 0.23 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3ivx h LYS 145 CO -0.23 0.19 0.48 -0.07 -0.57 0.00 0.00 179.45 179.25 3ivx h LEU 146 N 0.30 0.93 -1.25 2.94 3.38 -0.63 -0.26 115.31 120.73 3ivx h LEU 146 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ivx h LEU 146 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3ivx h LEU 146 CO -0.06 0.72 0.29 -0.07 0.09 0.00 0.00 178.44 179.41 3ivx h LEU 147 N 1.07 0.73 -0.09 1.67 3.38 -0.74 -1.51 115.31 119.82 3ivx h LEU 147 Ca 0.28 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.95 3ivx h LEU 147 Cb -0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ivx h LEU 147 CO -0.05 0.61 -1.03 1.56 0.09 0.00 0.00 178.44 179.61 3ivx h GLN 148 N 0.82 0.28 -0.14 1.13 1.08 -0.47 0.23 115.11 118.04 3ivx h GLN 148 Ca 0.21 -0.37 -0.11 0.00 -1.45 0.00 0.00 58.65 56.93 3ivx h GLN 148 Cb 0.06 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3ivx h GLN 148 CO -0.03 1.10 -0.35 0.82 -0.95 0.00 0.00 178.83 179.42 3ivx h ILE 149 N 0.13 1.36 0.01 2.54 2.04 -0.88 -3.35 117.51 119.36 3ivx h ILE 149 Ca -0.09 -1.62 -0.29 0.00 1.00 0.00 0.00 64.86 63.86 3ivx h ILE 149 Cb 1.71 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 39.78 3ivx h ILE 149 CO 0.17 0.49 -1.69 0.58 0.00 0.00 0.00 178.15 177.69 3ivx h VAL 150 N 0.10 0.88 -6.67 1.67 2.07 -1.32 -3.33 116.25 109.64 3ivx h VAL 150 Ca -0.00 -2.71 -0.54 0.00 0.82 0.00 0.00 66.70 64.27 3ivx h VAL 150 Cb 0.95 2.45 0.02 0.00 -1.52 0.00 0.00 31.29 33.20 3ivx h VAL 150 CO 0.08 0.54 -0.99 -1.14 0.02 0.00 0.00 177.57 176.08 3ivx n ARG 151 N -3.10 -0.61 -2.03 1.57 0.63 0.82 -4.79 116.66 109.15 3ivx n ARG 151 Ca -0.17 0.23 -0.32 0.00 -0.92 0.00 0.00 57.85 56.66 3ivx n ARG 151 Cb 1.05 -3.10 0.01 0.00 0.45 0.00 0.00 32.46 30.86 3ivx n ARG 151 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3ivx s PRO 152 N -6.86 3.46 0.18 -0.14 0.04 -1.26 -4.89 135.00 125.54 3ivx s PRO 152 Ca 0.48 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.55 3ivx s PRO 152 Cb -0.23 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.33 3ivx s PRO 152 CO 0.93 -0.68 1.44 -0.44 0.04 0.00 0.00 177.00 178.30 3ivx h ASP 153 N 0.24 0.39 -4.44 6.66 3.32 -0.50 -3.43 116.42 118.67 3ivx h ASP 153 Ca -0.46 -0.26 -0.22 0.00 0.02 0.00 0.00 57.03 56.11 3ivx h ASP 153 Cb 1.20 -0.12 -0.24 0.00 0.22 0.00 0.00 39.33 40.40 3ivx h ASP 153 CO 0.59 1.00 -0.72 -0.13 -1.72 0.00 0.00 179.24 178.26 3ivx s ARG 154 N -3.55 0.24 -0.03 3.56 0.52 -1.18 -1.95 118.95 116.56 3ivx s ARG 154 Ca -0.05 -0.38 0.05 0.00 -0.52 0.00 0.00 55.73 54.83 3ivx s ARG 154 Cb 0.11 -0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 3ivx s ARG 154 CO 0.83 -0.01 -0.17 0.54 0.02 0.00 0.00 175.30 176.51 3ivx s VAL 155 N -0.84 1.37 -0.14 3.52 0.11 -0.02 -1.17 120.40 123.24 3ivx s VAL 155 Ca -0.08 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 3ivx s VAL 155 Cb -0.06 -1.17 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3ivx s VAL 155 CO -0.00 0.39 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.66 3ivx s PHE 156 N -0.10 2.79 0.05 1.54 0.40 -0.25 -0.16 117.98 122.24 3ivx s PHE 156 Ca -0.00 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.56 3ivx s PHE 156 Cb -0.10 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 3ivx s PHE 156 CO 0.01 -0.32 -0.12 -0.06 0.70 0.00 0.00 175.22 175.43 3ivx s PHE 157 N 0.54 0.99 0.58 0.36 0.08 -0.34 -4.21 117.98 115.99 3ivx s PHE 157 Ca -0.09 -0.42 -0.17 0.00 0.12 0.00 0.00 56.93 56.37 3ivx s PHE 157 Cb -0.16 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 3ivx s PHE 157 CO 0.04 0.00 1.07 0.20 -0.10 0.00 0.00 175.22 176.43 3ivx s GLY 158 N -1.44 2.23 0.00 4.36 0.00 -1.26 -0.53 107.32 110.67 3ivx s GLY 158 Ca -0.03 0.48 0.25 0.00 0.00 0.00 0.00 44.72 45.41 3ivx s GLY 158 CO 0.01 0.80 1.83 1.18 0.00 0.00 0.00 173.10 176.92 3ivx n GLU 159 N -1.85 0.27 -0.01 2.90 1.02 -0.12 -4.09 120.64 118.76 3ivx n GLU 159 Ca 0.09 0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 3ivx n GLU 159 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 3ivx n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ivx h LYS 160 N 0.00 -0.45 -4.15 3.49 3.64 -1.92 -2.80 116.57 114.39 3ivx h LYS 160 Ca 0.00 0.03 -0.75 0.00 -1.27 0.00 0.00 60.65 58.66 3ivx h LYS 160 Cb 0.28 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.03 3ivx h LYS 160 CO 0.00 -0.30 1.57 -0.25 -2.27 0.00 0.00 179.45 178.20 3ivx n ASP 161 N -5.43 5.23 -0.05 4.20 8.00 -1.26 -4.66 116.55 122.58 3ivx n ASP 161 Ca -0.04 -3.05 -0.11 0.00 0.71 0.00 0.00 54.79 52.30 3ivx n ASP 161 Cb 0.36 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 39.88 3ivx n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3ivx h TYR 162 N 6.50 0.29 -0.77 1.24 3.20 -1.79 -1.24 116.97 124.41 3ivx h TYR 162 Ca 0.34 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.26 3ivx h TYR 162 Cb 0.77 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 3ivx h TYR 162 CO 1.14 0.42 0.43 0.37 -1.64 0.00 0.00 178.16 178.88 3ivx h GLN 163 N 0.07 0.72 -0.18 1.82 4.15 -1.89 -0.07 115.11 119.72 3ivx h GLN 163 Ca 0.05 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3ivx h GLN 163 Cb 0.29 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3ivx h GLN 163 CO 0.00 0.47 0.04 0.37 -1.93 0.00 0.00 178.83 177.78 3ivx h GLN 164 N 0.74 0.11 -0.51 1.69 4.15 -1.91 -0.49 115.11 118.89 3ivx h GLN 164 Ca 0.36 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.82 3ivx h GLN 164 Cb 0.31 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 3ivx h GLN 164 CO -0.23 0.07 0.27 1.25 -1.93 0.00 0.00 178.83 178.25 3ivx h LEU 165 N 0.11 0.40 -0.66 -2.39 5.85 -0.45 -0.47 115.31 117.68 3ivx h LEU 165 Ca 0.08 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3ivx h LEU 165 Cb 0.07 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3ivx h LEU 165 CO -0.11 0.28 0.35 0.58 -0.34 0.00 0.00 178.44 179.20 3ivx h VAL 166 N 0.52 1.21 -0.74 1.05 2.07 -0.81 -0.73 116.25 118.82 3ivx h VAL 166 Ca 0.22 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3ivx h VAL 166 Cb 0.10 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3ivx h VAL 166 CO -0.14 0.24 0.32 -0.07 0.02 0.00 0.00 177.57 177.93 3ivx h LEU 167 N 0.91 0.98 -0.92 2.57 3.38 -0.58 -0.44 115.31 121.22 3ivx h LEU 167 Ca 0.23 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3ivx h LEU 167 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3ivx h LEU 167 CO -0.04 0.86 0.03 0.40 0.09 0.00 0.00 178.44 179.78 3ivx h ILE 168 N 1.06 1.24 -0.49 1.22 2.04 -0.60 0.11 117.51 122.09 3ivx h ILE 168 Ca 0.25 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 3ivx h ILE 168 Cb 0.16 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3ivx h ILE 168 CO -0.03 0.35 0.07 0.03 0.00 0.00 0.00 178.15 178.57 3ivx h ARG 169 N 0.77 0.77 -0.24 2.37 3.08 -0.64 -1.49 114.38 119.01 3ivx h ARG 169 Ca 0.15 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3ivx h ARG 169 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3ivx h ARG 169 CO 0.02 0.73 0.02 1.96 -1.07 0.00 0.00 179.97 181.63 3ivx h GLN 170 N 0.74 0.40 -0.47 0.04 4.20 -0.55 -1.45 115.11 118.02 3ivx h GLN 170 Ca 0.16 -0.12 0.09 0.00 0.06 0.00 0.00 58.65 58.84 3ivx h GLN 170 Cb 0.35 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.99 3ivx h GLN 170 CO 0.01 0.56 -0.33 1.25 -0.67 0.00 0.00 178.83 179.65 3ivx h LEU 171 N 0.19 -1.10 -0.48 1.46 5.85 -0.57 0.42 115.31 121.09 3ivx h LEU 171 Ca 0.07 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3ivx h LEU 171 Cb 0.36 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3ivx h LEU 171 CO 0.01 -0.31 0.27 0.58 -0.34 0.00 0.00 178.44 178.65 3ivx h VAL 172 N -0.22 1.16 0.33 1.05 2.07 -1.07 -1.04 116.25 118.53 3ivx h VAL 172 Ca 0.19 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3ivx h VAL 172 Cb 0.54 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3ivx h VAL 172 CO -0.59 0.17 -0.16 0.00 0.02 0.00 0.00 177.57 177.01 3ivx h ALA 173 N 1.12 -0.45 -0.23 1.67 0.00 -1.09 -0.32 119.26 119.95 3ivx h ALA 173 Ca 0.17 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ivx h ALA 173 Cb 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ivx h ALA 173 CO -0.03 -0.70 -0.24 -0.44 0.00 0.00 0.00 179.25 177.84 3ivx h ASP 174 N -0.55 0.43 -0.73 0.00 3.32 -0.76 -2.69 116.42 115.44 3ivx h ASP 174 Ca -0.05 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3ivx h ASP 174 Cb 0.41 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3ivx h ASP 174 CO 0.08 0.68 0.00 0.49 -1.72 0.00 0.00 179.24 178.76 3ivx n PHE 175 N -4.13 1.12 -3.83 4.55 3.72 -0.41 -4.96 117.46 113.51 3ivx n PHE 175 Ca -0.00 -0.52 -0.28 0.00 -0.05 0.00 0.00 57.45 56.59 3ivx n PHE 175 Cb 0.39 -0.06 0.04 0.00 -0.94 0.00 0.00 39.48 38.91 3ivx n PHE 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ivx n ASN 176 N 1.57 -5.04 -4.76 4.37 4.13 -0.90 -4.95 115.26 109.68 3ivx n ASN 176 Ca 0.25 -0.72 -0.40 0.00 1.68 0.00 0.00 54.58 55.39 3ivx n ASN 176 Cb 0.69 -4.16 -0.04 0.00 -1.54 0.00 0.00 39.78 34.73 3ivx n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ivx s LEU 177 N -7.27 4.47 0.00 3.41 1.43 -0.18 -4.94 118.68 115.60 3ivx s LEU 177 Ca 0.62 2.29 0.29 0.00 -1.03 0.00 0.00 54.13 56.30 3ivx s LEU 177 Cb -0.30 -3.72 1.32 0.00 0.03 0.00 0.00 46.19 43.52 3ivx s LEU 177 CO 0.81 -0.25 1.90 -0.90 0.23 0.00 0.00 176.35 178.14 3ivx n ASP 178 N 0.94 0.71 -4.79 2.29 5.68 -1.26 -4.85 116.55 115.27 3ivx n ASP 178 Ca -0.00 -1.00 -0.36 0.00 -0.50 0.00 0.00 54.79 52.93 3ivx n ASP 178 Cb 0.45 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 3ivx n ASP 178 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ivx s VAL 179 N -2.20 3.74 -0.19 2.12 0.11 -1.26 -5.03 120.40 117.70 3ivx s VAL 179 Ca 0.36 1.28 -0.18 0.00 -2.93 0.00 0.00 61.98 60.52 3ivx s VAL 179 Cb 0.21 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 3ivx s VAL 179 CO 0.41 -0.04 0.48 0.00 -3.33 0.00 0.00 175.10 172.61 3ivx s ALA 180 N -1.72 3.54 -0.22 1.54 0.00 -0.82 -4.97 121.76 119.10 3ivx s ALA 180 Ca 0.59 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 3ivx s ALA 180 Cb -0.21 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3ivx s ALA 180 CO 0.26 -0.32 0.56 0.08 0.00 0.00 0.00 175.76 176.34 3ivx s VAL 181 N 1.36 5.06 -0.27 0.00 1.01 -1.26 -0.84 120.40 125.46 3ivx s VAL 181 Ca 0.23 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.19 3ivx s VAL 181 Cb -0.15 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3ivx s VAL 181 CO 0.09 0.12 0.01 -0.69 0.00 0.00 0.00 175.10 174.63 3ivx s VAL 182 N 1.95 3.38 -0.12 2.92 1.01 0.77 -4.96 120.40 125.35 3ivx s VAL 182 Ca 0.25 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3ivx s VAL 182 Cb -0.16 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3ivx s VAL 182 CO 0.09 0.13 0.71 -0.83 0.00 0.00 0.00 175.10 175.20 3ivx s GLY 183 N 1.40 2.38 -0.14 4.51 0.00 -1.26 -1.19 107.32 113.02 3ivx s GLY 183 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 3ivx s GLY 183 CO -0.01 1.30 -0.08 0.14 0.00 0.00 0.00 173.10 174.45 3ivx s VAL 184 N 1.32 3.47 0.32 1.40 1.01 0.31 -4.90 120.40 123.34 3ivx s VAL 184 Ca 0.36 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 3ivx s VAL 184 Cb -0.17 -2.49 -0.13 0.00 0.00 0.00 0.00 36.38 33.59 3ivx s VAL 184 CO 0.15 0.51 1.12 -2.65 0.00 0.00 0.00 175.10 174.23 3ivx n PRO 185 N 3.47 1.65 -1.70 2.72 -0.02 -1.26 -0.95 135.00 138.91 3ivx n PRO 185 Ca -0.18 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 3ivx n PRO 185 Cb 0.53 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 3ivx n PRO 185 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ivx n THR 186 N 0.22 0.28 -2.43 3.45 -1.04 -1.26 -4.75 114.28 108.75 3ivx n THR 186 Ca 0.08 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 3ivx n THR 186 Cb 0.34 -2.11 -0.04 0.00 -1.82 0.00 0.00 70.33 66.70 3ivx n THR 186 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ivx s VAL 187 N 2.37 3.44 0.07 12.58 1.01 -1.26 -4.99 120.40 133.62 3ivx s VAL 187 Ca 0.80 1.41 0.04 0.00 0.00 0.00 0.00 61.98 64.23 3ivx s VAL 187 Cb -0.48 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3ivx s VAL 187 CO 0.36 0.32 -0.12 -0.13 0.00 0.00 0.00 175.10 175.52 3ivx s ARG 188 N -1.25 0.76 1.13 2.72 0.52 -1.26 -1.74 118.95 119.83 3ivx s ARG 188 Ca 0.46 -0.94 -0.13 0.00 -0.52 0.00 0.00 55.73 54.61 3ivx s ARG 188 Cb -0.33 -0.67 0.26 0.00 0.52 0.00 0.00 34.95 34.74 3ivx s ARG 188 CO 0.41 0.14 1.04 -1.21 0.02 0.00 0.00 175.30 175.71 3ivx s GLU 189 N -1.84 -0.62 0.49 3.54 0.41 0.81 -4.85 118.70 116.64 3ivx s GLU 189 Ca -0.03 0.72 0.15 0.00 -0.41 0.00 0.00 54.97 55.41 3ivx s GLU 189 Cb -0.09 -1.60 1.14 0.00 -1.78 0.00 0.00 34.13 31.81 3ivx s GLU 189 CO 0.02 -3.49 2.08 0.00 -0.49 0.00 0.00 175.26 173.37 3ivx h ALA 190 N -2.45 1.86 -0.18 5.21 0.00 -2.02 0.67 119.26 122.36 3ivx h ALA 190 Ca -0.60 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ivx h ALA 190 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ivx h ALA 190 CO 0.53 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3ivx n ASP 191 N -4.44 1.78 0.00 0.00 5.75 -1.26 -4.92 116.55 113.46 3ivx n ASP 191 Ca -0.03 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3ivx n ASP 191 Cb 0.16 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3ivx n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ivx n GLY 192 N 1.15 0.17 3.70 6.12 0.00 0.23 -4.88 105.19 111.68 3ivx n GLY 192 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3ivx n GLY 192 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ivx n LEU 193 N 0.00 3.96 -4.73 0.99 7.94 -1.26 -4.61 117.00 119.30 3ivx n LEU 193 Ca 0.00 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.49 3ivx n LEU 193 Cb 0.00 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.38 3ivx n LEU 193 CO 0.00 0.15 1.28 0.00 -1.11 0.00 0.00 177.39 177.71 3ivx s ALA 194 N 2.26 3.83 0.33 1.96 0.00 -1.26 -0.13 121.76 128.75 3ivx s ALA 194 Ca 0.80 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.96 3ivx s ALA 194 Cb -0.50 -3.65 -0.11 0.00 0.00 0.00 0.00 23.12 18.86 3ivx s ALA 194 CO 0.36 -0.86 1.45 -1.64 0.00 0.00 0.00 175.76 175.06 3ivx s MET 195 N 0.81 4.20 -0.19 0.00 -1.94 -0.71 -4.86 119.30 116.62 3ivx s MET 195 Ca 0.70 2.44 -0.28 0.00 -1.71 0.00 0.00 55.69 56.84 3ivx s MET 195 Cb -0.47 -3.02 0.11 0.00 2.01 0.00 0.00 34.83 33.46 3ivx s MET 195 CO 0.35 -0.44 0.92 0.45 -0.01 0.00 0.00 175.02 176.29 3ivx s SER 196 N -0.08 -0.48 0.52 3.03 0.15 -1.26 -4.99 113.70 110.59 3ivx s SER 196 Ca 0.54 0.69 0.33 0.00 0.70 0.00 0.00 55.95 58.21 3ivx s SER 196 Cb -0.44 0.62 1.35 0.00 -1.71 0.00 0.00 66.02 65.84 3ivx s SER 196 CO 0.55 -0.33 1.96 0.77 1.20 0.00 0.00 173.24 177.40 3ivx h SER 197 N 3.34 0.00 1.49 5.45 4.64 -1.96 -2.37 113.55 124.14 3ivx h SER 197 Ca -0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3ivx h SER 197 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3ivx h SER 197 CO 0.24 0.00 -0.03 0.03 -0.87 0.00 0.00 176.83 176.20 3ivx h ARG 198 N 0.00 0.00 -0.43 4.77 3.08 -1.95 -3.35 114.38 116.51 3ivx h ARG 198 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3ivx h ARG 198 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3ivx h ARG 198 CO 0.00 0.03 0.30 -0.91 -1.07 0.00 0.00 179.97 178.32 3ivx h ASN 199 N 0.00 0.14 0.92 7.04 2.35 -1.80 -1.80 115.58 122.44 3ivx h ASN 199 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ivx h ASN 199 Cb 0.78 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3ivx h ASN 199 CO 0.00 0.09 0.00 0.08 -1.65 0.00 0.00 177.43 175.95 3ivx h ARG 200 N 0.16 0.00 0.00 0.81 0.11 -1.80 -2.67 114.38 111.00 3ivx h ARG 200 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3ivx h ARG 200 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 3ivx h ARG 200 CO -0.03 0.00 -0.23 0.66 0.10 0.00 0.00 179.97 180.47 3ivx n TYR 201 N -3.07 0.30 -2.30 4.08 4.01 -0.68 -4.84 117.16 114.66 3ivx n TYR 201 Ca 0.00 0.09 -0.42 0.00 -0.16 0.00 0.00 57.90 57.41 3ivx n TYR 201 Cb 0.28 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 3ivx n TYR 201 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ivx s LEU 202 N -3.54 4.30 0.97 7.72 1.43 -1.01 -5.03 118.68 123.53 3ivx s LEU 202 Ca 0.11 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 3ivx s LEU 202 Cb 0.16 -3.56 0.17 0.00 0.03 0.00 0.00 46.19 43.00 3ivx s LEU 202 CO 0.62 -0.69 1.09 1.51 0.23 0.00 0.00 176.35 179.11 3ivx s ASP 203 N 1.81 2.82 0.48 2.29 1.47 -1.26 -4.60 116.67 119.68 3ivx s ASP 203 Ca 0.61 1.32 0.13 0.00 1.18 0.00 0.00 52.55 55.79 3ivx s ASP 203 Cb -0.29 -2.00 1.11 0.00 -0.34 0.00 0.00 42.92 41.40 3ivx s ASP 203 CO 0.25 -3.02 2.11 -0.65 0.68 0.00 0.00 175.17 174.53 3ivx h PRO 204 N -1.82 0.20 -0.38 2.11 0.11 -1.98 0.27 132.00 130.51 3ivx h PRO 204 Ca -0.53 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.44 3ivx h PRO 204 Cb 1.31 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3ivx h PRO 204 CO 0.56 0.14 -0.25 0.00 -0.21 0.00 0.00 178.00 178.24 3ivx h ALA 205 N 1.90 0.54 -0.37 -0.75 0.00 -1.99 -1.44 119.26 117.15 3ivx h ALA 205 Ca 0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 3ivx h ALA 205 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ivx h ALA 205 CO -0.01 0.54 -0.41 1.96 0.00 0.00 0.00 179.25 181.33 3ivx h GLN 206 N 0.64 0.92 -0.59 0.00 4.20 -1.63 -1.31 115.11 117.34 3ivx h GLN 206 Ca 0.08 -0.49 -0.09 0.00 0.06 0.00 0.00 58.65 58.20 3ivx h GLN 206 Cb 0.82 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3ivx h GLN 206 CO 0.07 1.15 0.01 -0.09 -0.67 0.00 0.00 178.83 179.30 3ivx h ARG 207 N 0.74 1.01 -0.24 1.46 9.65 -0.47 0.17 114.38 126.71 3ivx h ARG 207 Ca 0.06 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.62 3ivx h ARG 207 Cb 1.00 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 3ivx h ARG 207 CO 0.10 0.99 0.10 0.00 2.80 0.00 0.00 179.97 183.95 3ivx h ALA 208 N 1.07 0.31 -0.19 2.80 0.00 -1.20 -3.10 119.26 118.95 3ivx h ALA 208 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3ivx h ALA 208 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ivx h ALA 208 CO 0.03 -0.11 -0.26 0.00 0.00 0.00 0.00 179.25 178.91 3ivx h ALA 209 N 0.95 1.21 0.00 0.00 0.00 -0.81 -3.09 119.26 117.51 3ivx h ALA 209 Ca 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ivx h ALA 209 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ivx h ALA 209 CO -0.01 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 3ivx h ALA 210 N 1.41 1.33 -0.64 0.00 0.00 -0.59 -1.22 119.26 119.55 3ivx h ALA 210 Ca 0.05 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.13 3ivx h ALA 210 Cb 0.63 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ivx h ALA 210 CO 0.05 0.03 0.51 0.28 0.00 0.00 0.00 179.25 180.11 3ivx h VAL 211 N 0.00 0.56 -0.52 0.00 2.07 -1.61 -2.39 116.25 114.36 3ivx h VAL 211 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3ivx h VAL 211 Cb 0.07 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3ivx h VAL 211 CO 0.00 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.94 3ivx h ALA 212 N 1.59 2.06 0.57 1.67 0.00 -1.44 -1.48 119.26 122.23 3ivx h ALA 212 Ca 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3ivx h ALA 212 Cb 1.32 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3ivx h ALA 212 CO -0.00 -0.18 -0.27 -0.07 0.00 0.00 0.00 179.25 178.73 3ivx h LEU 213 N 0.32 -0.65 -0.66 0.00 4.07 -1.66 0.14 115.31 116.87 3ivx h LEU 213 Ca 0.24 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 58.08 3ivx h LEU 213 Cb 0.51 0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 3ivx h LEU 213 CO -0.05 -0.41 -0.13 0.77 -1.08 0.00 0.00 178.44 177.53 3ivx h SER 214 N -0.83 0.90 -0.67 -0.43 4.64 -1.68 -2.46 113.55 113.02 3ivx h SER 214 Ca -0.08 -0.30 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3ivx h SER 214 Cb 0.61 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 3ivx h SER 214 CO 0.13 1.04 0.29 0.00 -0.87 0.00 0.00 176.83 177.42 3ivx h ALA 215 N 1.04 0.87 -0.76 5.18 0.00 -1.20 0.02 119.26 124.42 3ivx h ALA 215 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ivx h ALA 215 Cb 0.66 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ivx h ALA 215 CO 0.05 0.46 0.31 0.00 0.00 0.00 0.00 179.25 180.07 3ivx h ALA 216 N 1.13 0.99 -0.15 0.00 0.00 -0.58 -1.20 119.26 119.46 3ivx h ALA 216 Ca 0.23 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3ivx h ALA 216 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ivx h ALA 216 CO -0.02 0.61 -0.41 -0.07 0.00 0.00 0.00 179.25 179.35 3ivx h LEU 217 N 1.10 0.62 -0.52 0.00 3.38 -1.06 -0.92 115.31 117.92 3ivx h LEU 217 Ca 0.25 -0.59 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 3ivx h LEU 217 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3ivx h LEU 217 CO -0.02 1.10 -0.10 0.00 0.09 0.00 0.00 178.44 179.50 3ivx h THR 218 N 0.17 1.27 -0.37 0.22 1.03 -0.99 -0.48 112.91 113.76 3ivx h THR 218 Ca -0.01 -1.25 0.03 0.00 -0.01 0.00 0.00 66.41 65.17 3ivx h THR 218 Cb 1.03 1.01 -0.03 0.00 -1.07 0.00 0.00 68.15 69.09 3ivx h THR 218 CO 0.09 0.44 0.17 0.00 -0.01 0.00 0.00 175.52 176.20 3ivx h ALA 219 N 0.91 0.45 -0.53 0.00 0.00 -1.19 -1.75 119.26 117.16 3ivx h ALA 219 Ca 0.13 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ivx h ALA 219 Cb 0.67 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3ivx h ALA 219 CO 0.05 -0.21 0.23 0.00 0.00 0.00 0.00 179.25 179.31 3ivx h ALA 220 N 1.21 0.66 -0.34 0.00 0.00 -0.84 0.23 119.26 120.20 3ivx h ALA 220 Ca 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ivx h ALA 220 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3ivx h ALA 220 CO -0.13 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.04 3ivx h ALA 221 N 1.32 1.50 0.02 0.00 0.00 -0.57 -1.89 119.26 119.64 3ivx h ALA 221 Ca 0.25 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 3ivx h ALA 221 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3ivx h ALA 221 CO -0.21 0.37 -1.37 0.45 0.00 0.00 0.00 179.25 178.49 3ivx h HIS 222 N 0.49 0.06 0.00 0.00 3.86 -0.88 -3.25 115.15 115.43 3ivx h HIS 222 Ca 0.11 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3ivx h HIS 222 Cb 0.20 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3ivx h HIS 222 CO 0.01 1.06 0.00 0.00 0.86 0.00 0.00 177.93 179.85 3ivx h ALA 223 N 0.93 1.00 0.00 2.45 0.00 -0.05 -3.32 119.26 120.26 3ivx h ALA 223 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ivx h ALA 223 Cb 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3ivx h ALA 223 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3ivx h ALA 224 N 2.04 1.00 0.00 0.00 0.00 -1.40 -0.45 119.26 120.44 3ivx h ALA 224 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ivx h ALA 224 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ivx h ALA 224 CO 0.00 0.00 -0.00 1.79 0.00 0.00 0.00 179.25 181.04 3ivx h THR 225 N 0.00 0.72 -0.07 0.00 1.35 -1.77 0.30 112.91 113.44 3ivx h THR 225 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ivx h THR 225 Cb 0.20 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3ivx h THR 225 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3ivx n ALA 226 N -2.41 2.56 0.00 6.62 0.00 -0.18 -4.48 120.51 122.63 3ivx n ALA 226 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3ivx n ALA 226 Cb 0.09 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3ivx n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivx n GLY 227 N 1.14 1.43 0.16 0.00 0.00 -0.57 -4.54 105.19 102.81 3ivx n GLY 227 Ca 0.18 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 3ivx n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivx h ALA 228 N 0.00 0.44 -0.53 4.61 0.00 -1.91 -1.31 119.26 120.56 3ivx h ALA 228 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ivx h ALA 228 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ivx h ALA 228 CO 0.00 -0.20 0.01 0.37 0.00 0.00 0.00 179.25 179.43 3ivx h GLN 229 N 0.35 0.93 -0.67 0.00 5.75 -1.98 -0.59 115.11 118.90 3ivx h GLN 229 Ca 0.15 -0.29 0.07 0.00 -0.15 0.00 0.00 58.65 58.44 3ivx h GLN 229 Cb 0.07 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.47 3ivx h GLN 229 CO -0.11 0.94 0.34 0.00 -2.65 0.00 0.00 178.83 177.35 3ivx h ALA 230 N 0.95 0.90 -0.14 3.38 0.00 -1.73 0.61 119.26 123.22 3ivx h ALA 230 Ca 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ivx h ALA 230 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ivx h ALA 230 CO 0.03 -0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.28 3ivx h ALA 231 N 1.38 0.18 -0.58 0.00 0.00 -0.72 -0.55 119.26 118.98 3ivx h ALA 231 Ca 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ivx h ALA 231 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ivx h ALA 231 CO -0.23 -0.18 0.20 -0.07 0.00 0.00 0.00 179.25 178.98 3ivx h LEU 232 N 0.03 0.79 -0.34 0.00 3.38 -0.88 -1.98 115.31 116.31 3ivx h LEU 232 Ca 0.04 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 3ivx h LEU 232 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ivx h LEU 232 CO 0.00 0.73 -0.69 0.44 0.09 0.00 0.00 178.44 179.01 3ivx h ASP 233 N 0.84 0.71 0.19 -0.43 3.32 -0.67 -0.85 116.42 119.52 3ivx h ASP 233 Ca 0.19 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3ivx h ASP 233 Cb 0.21 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ivx h ASP 233 CO -0.01 1.20 -0.10 0.00 -1.72 0.00 0.00 179.24 178.60 3ivx h ALA 234 N 0.80 -0.27 -0.32 3.45 0.00 -0.91 -0.80 119.26 121.20 3ivx h ALA 234 Ca -0.03 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ivx h ALA 234 Cb 1.28 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3ivx h ALA 234 CO 0.13 -0.66 -0.08 0.00 0.00 0.00 0.00 179.25 178.64 3ivx h ALA 235 N 0.53 0.21 -0.96 0.00 0.00 -1.27 -1.74 119.26 116.03 3ivx h ALA 235 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ivx h ALA 235 Cb 0.22 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3ivx h ALA 235 CO 0.03 -0.47 0.61 -0.09 0.00 0.00 0.00 179.25 179.33 3ivx h ARG 236 N -0.00 1.28 -0.40 0.00 9.65 -0.99 -1.61 114.38 122.31 3ivx h ARG 236 Ca 0.15 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3ivx h ARG 236 Cb 0.24 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 3ivx h ARG 236 CO -0.33 0.87 0.06 0.00 2.80 0.00 0.00 179.97 183.36 3ivx h ALA 237 N 1.36 0.53 -0.23 2.80 0.00 -0.61 0.12 119.26 123.24 3ivx h ALA 237 Ca 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ivx h ALA 237 Cb -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ivx h ALA 237 CO -0.07 0.25 0.14 0.28 0.00 0.00 0.00 179.25 179.85 3ivx h VAL 238 N 0.51 1.08 -0.98 0.00 2.07 -1.01 -1.94 116.25 115.99 3ivx h VAL 238 Ca 0.12 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.51 3ivx h VAL 238 Cb 0.38 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3ivx h VAL 238 CO 0.01 0.08 0.63 -0.07 0.02 0.00 0.00 177.57 178.24 3ivx h LEU 239 N 0.29 1.01 -1.83 2.57 3.38 -1.12 -2.15 115.31 117.47 3ivx h LEU 239 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ivx h LEU 239 Cb 0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3ivx h LEU 239 CO -0.02 0.65 -0.06 0.44 0.09 0.00 0.00 178.44 179.54 3ivx h ASP 240 N 1.15 0.00 0.47 -0.43 3.32 -0.37 -2.02 116.42 118.55 3ivx h ASP 240 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3ivx h ASP 240 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3ivx h ASP 240 CO -0.17 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 3ivx n ALA 241 N -2.16 2.43 -2.80 3.45 0.00 -0.76 -4.87 120.51 115.80 3ivx n ALA 241 Ca -0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 3ivx n ALA 241 Cb 0.26 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 3ivx n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ivx s ALA 242 N -2.51 3.53 0.41 0.00 0.00 -0.76 -5.10 121.76 117.33 3ivx s ALA 242 Ca 0.29 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 3ivx s ALA 242 Cb 0.19 -1.90 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 3ivx s ALA 242 CO 0.42 0.34 0.84 -1.25 0.00 0.00 0.00 175.76 176.11 3ivx s PRO 243 N -0.13 3.94 -1.56 0.00 0.04 -1.26 -4.23 135.00 131.80 3ivx s PRO 243 Ca 0.08 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 61.85 3ivx s PRO 243 Cb -0.12 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3ivx s PRO 243 CO 0.01 -0.04 0.03 0.41 0.04 0.00 0.00 177.00 177.45 3ivx n GLY 244 N -1.02 -0.39 3.03 0.56 0.00 -1.26 -4.89 105.19 101.22 3ivx n GLY 244 Ca 0.04 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3ivx n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivx s VAL 245 N -2.93 2.32 -0.69 1.61 1.01 -1.26 -4.33 120.40 116.13 3ivx s VAL 245 Ca 0.02 -2.32 -0.20 0.00 0.00 0.00 0.00 61.98 59.47 3ivx s VAL 245 Cb -0.01 -2.70 0.10 0.00 0.00 0.00 0.00 36.38 33.77 3ivx s VAL 245 CO 0.02 -0.59 0.89 0.00 0.00 0.00 0.00 175.10 175.42 3ivx s ALA 246 N 0.92 3.31 -0.13 5.51 0.00 -0.57 -4.92 121.76 125.87 3ivx s ALA 246 Ca 0.10 -2.21 -0.29 0.00 0.00 0.00 0.00 51.96 49.56 3ivx s ALA 246 Cb -0.19 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 3ivx s ALA 246 CO -0.08 -2.64 1.38 0.08 0.00 0.00 0.00 175.76 174.50 3ivx s VAL 247 N 3.15 4.07 -0.06 0.00 1.01 -1.26 -0.95 120.40 126.35 3ivx s VAL 247 Ca 0.20 1.30 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 3ivx s VAL 247 Cb -0.17 -3.84 -0.30 0.00 0.00 0.00 0.00 36.38 32.07 3ivx s VAL 247 CO 0.04 -0.11 0.89 0.44 0.00 0.00 0.00 175.10 176.36 3ivx h ASP 248 N 8.58 0.38 -5.06 3.32 3.32 -1.17 -3.48 116.42 122.31 3ivx h ASP 248 Ca -0.30 -0.95 -0.06 0.00 0.02 0.00 0.00 57.03 55.74 3ivx h ASP 248 Cb 1.13 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 3ivx h ASP 248 CO 0.96 1.30 -0.09 -0.72 -1.72 0.00 0.00 179.24 178.97 3ivx s TYR 249 N -2.46 -0.23 -0.22 4.55 -0.85 -1.15 -4.99 117.35 112.00 3ivx s TYR 249 Ca -0.15 0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 56.42 3ivx s TYR 249 Cb 0.00 0.24 0.08 0.00 0.38 0.00 0.00 41.96 42.66 3ivx s TYR 249 CO 0.80 -0.63 0.15 -1.17 -1.52 0.00 0.00 175.55 173.18 3ivx s LEU 250 N -2.39 0.22 -0.02 -3.49 2.96 -1.26 -2.03 118.68 112.67 3ivx s LEU 250 Ca -0.01 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 3ivx s LEU 250 Cb 0.01 -0.04 0.01 0.00 0.50 0.00 0.00 46.19 46.67 3ivx s LEU 250 CO -0.07 -0.37 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.92 3ivx s GLU 251 N 2.20 0.73 -0.23 1.98 2.02 -0.19 -4.98 118.70 120.23 3ivx s GLU 251 Ca 0.05 -0.20 -0.08 0.00 0.02 0.00 0.00 54.97 54.77 3ivx s GLU 251 Cb -0.16 -0.71 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 3ivx s GLU 251 CO -0.18 0.05 0.09 -1.17 0.02 0.00 0.00 175.26 174.07 3ivx s LEU 252 N 0.32 3.73 0.25 1.80 2.96 -1.26 -0.68 118.68 125.80 3ivx s LEU 252 Ca -0.04 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3ivx s LEU 252 Cb -0.08 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3ivx s LEU 252 CO 0.00 0.05 0.04 -0.13 -1.32 0.00 0.00 176.35 174.99 3ivx s ARG 253 N 1.11 1.40 1.10 1.98 1.81 -0.33 -4.26 118.95 121.77 3ivx s ARG 253 Ca 0.05 -1.74 -0.16 0.00 -1.72 0.00 0.00 55.73 52.16 3ivx s ARG 253 Cb -0.14 -0.51 0.24 0.00 -0.45 0.00 0.00 34.95 34.09 3ivx s ARG 253 CO 0.04 -0.18 1.13 0.16 -0.68 0.00 0.00 175.30 175.76 3ivx s ASP 254 N -3.33 1.80 0.57 0.23 1.47 0.48 -0.18 116.67 117.71 3ivx s ASP 254 Ca 0.33 0.77 0.37 0.00 1.18 0.00 0.00 52.55 55.20 3ivx s ASP 254 Cb 0.07 -1.14 1.78 0.00 -0.34 0.00 0.00 42.92 43.29 3ivx s ASP 254 CO 0.11 -3.59 2.11 0.16 0.68 0.00 0.00 175.17 174.64 3ivx h ILE 255 N -2.22 0.00 -0.49 2.11 3.07 -1.84 -1.26 117.51 116.88 3ivx h ILE 255 Ca -0.48 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.67 3ivx h ILE 255 Cb 1.30 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3ivx h ILE 255 CO 0.44 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.15 3ivx n GLY 256 N -0.49 1.65 2.25 0.16 0.00 -1.26 -4.95 105.19 102.55 3ivx n GLY 256 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 3ivx n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ivx n LEU 257 N 1.26 -0.13 0.00 0.99 4.77 -0.48 -5.49 117.00 117.93 3ivx n LEU 257 Ca 0.20 0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 3ivx n LEU 257 Cb 0.53 -1.21 0.17 0.00 -2.33 0.00 0.00 43.42 40.57 3ivx n LEU 257 CO 0.15 -0.34 0.68 0.61 -1.33 0.00 0.00 177.39 177.16 3ivx n GLY 258 N -1.96 -1.53 3.71 -0.72 0.00 -1.26 -4.77 105.19 98.66 3ivx n GLY 258 Ca -0.04 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3ivx n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ivx n PRO 259 N -3.31 2.26 -2.01 1.61 -0.02 -1.26 -0.39 135.00 131.88 3ivx n PRO 259 Ca 0.13 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 3ivx n PRO 259 Cb 0.46 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3ivx n PRO 259 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ivx s MET 260 N -1.64 4.22 0.51 -0.52 1.75 -1.26 -3.72 119.30 118.64 3ivx s MET 260 Ca 0.57 2.23 -0.20 0.00 -1.25 0.00 0.00 55.69 57.03 3ivx s MET 260 Cb -0.56 -3.58 -0.07 0.00 2.84 0.00 0.00 34.83 33.47 3ivx s MET 260 CO 0.60 -0.68 1.11 -1.25 -0.65 0.00 0.00 175.02 174.14 3ivx s PRO 261 N 2.53 3.59 0.34 4.11 0.04 -1.26 -4.90 135.00 139.44 3ivx s PRO 261 Ca 0.71 1.57 0.14 0.00 0.04 0.00 0.00 61.00 63.46 3ivx s PRO 261 Cb -0.37 -2.12 1.12 0.00 0.04 0.00 0.00 34.50 33.16 3ivx s PRO 261 CO 0.31 -0.65 1.61 -0.07 0.04 0.00 0.00 177.00 178.24 3ivx h LEU 262 N 1.51 0.22 -8.14 -3.56 3.38 -2.00 -3.41 115.31 103.31 3ivx h LEU 262 Ca -0.50 0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 3ivx h LEU 262 Cb 1.25 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 42.12 3ivx h LEU 262 CO 0.58 -0.31 -0.55 0.54 0.09 0.00 0.00 178.44 178.79 3ivx s ASN 263 N -4.76 0.30 0.00 -0.43 4.22 -1.26 -4.90 114.94 108.10 3ivx s ASN 263 Ca -0.10 -0.93 0.00 0.00 -2.14 0.00 0.00 52.86 49.68 3ivx s ASN 263 Cb 0.31 0.29 0.00 0.00 1.28 0.00 0.00 41.25 43.13 3ivx s ASN 263 CO 0.78 -0.70 0.00 0.61 -2.04 0.00 0.00 177.10 175.76 3ivx n GLY 264 N -0.02 0.02 3.78 0.45 0.00 -1.25 -4.94 105.19 103.23 3ivx n GLY 264 Ca -0.12 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.27 3ivx n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ivx s SER 265 N -4.00 7.14 0.09 1.61 0.01 -1.26 -1.44 113.70 115.85 3ivx s SER 265 Ca 0.00 1.98 -0.01 0.00 1.31 0.00 0.00 55.95 59.24 3ivx s SER 265 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3ivx s SER 265 CO 0.00 -0.22 0.13 0.61 0.41 0.00 0.00 173.24 174.17 3ivx n GLY 266 N 0.63 2.79 2.91 3.44 0.00 0.11 -4.15 105.19 110.92 3ivx n GLY 266 Ca 0.02 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.47 3ivx n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ivx s ARG 267 N -2.18 0.50 -0.22 1.61 6.06 0.75 -1.69 118.95 123.78 3ivx s ARG 267 Ca 0.07 -0.11 -0.06 0.00 -2.50 0.00 0.00 55.73 53.12 3ivx s ARG 267 Cb -0.00 -0.53 -0.03 0.00 0.06 0.00 0.00 34.95 34.45 3ivx s ARG 267 CO 0.05 0.01 0.04 -1.17 -2.50 0.00 0.00 175.30 171.73 3ivx s LEU 268 N 0.37 3.44 -0.03 -0.88 2.96 0.16 -1.18 118.68 123.52 3ivx s LEU 268 Ca -0.04 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 3ivx s LEU 268 Cb -0.08 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3ivx s LEU 268 CO -0.00 0.05 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.10 3ivx s LEU 269 N 1.11 2.33 0.03 -0.68 1.02 0.15 -0.97 118.68 121.67 3ivx s LEU 269 Ca 0.03 -0.36 0.03 0.00 0.02 0.00 0.00 54.13 53.86 3ivx s LEU 269 Cb -0.14 -1.43 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 3ivx s LEU 269 CO 0.02 0.33 -0.09 0.54 0.02 0.00 0.00 176.35 177.17 3ivx s VAL 270 N -0.65 0.72 -0.00 -1.59 0.11 -0.34 -1.02 120.40 117.63 3ivx s VAL 270 Ca 0.10 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 3ivx s VAL 270 Cb -0.10 -0.69 -0.00 0.00 -1.53 0.00 0.00 36.38 34.05 3ivx s VAL 270 CO -0.00 -0.12 -0.02 0.00 -3.33 0.00 0.00 175.10 171.63 3ivx s ALA 271 N -0.88 0.16 0.01 1.54 0.00 -0.86 -1.60 121.76 120.14 3ivx s ALA 271 Ca -0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 3ivx s ALA 271 Cb -0.07 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3ivx s ALA 271 CO 0.01 0.03 0.20 0.00 0.00 0.00 0.00 175.76 176.00 3ivx s ALA 272 N -0.10 -0.45 -0.17 0.00 0.00 -0.49 -0.53 121.76 120.01 3ivx s ALA 272 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 3ivx s ALA 272 Cb -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3ivx s ALA 272 CO -0.00 -0.28 0.04 1.03 0.00 0.00 0.00 175.76 176.55 3ivx s ARG 273 N -1.85 3.90 -0.29 0.00 0.52 -0.13 -0.30 118.95 120.80 3ivx s ARG 273 Ca -0.11 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 3ivx s ARG 273 Cb -0.04 -3.14 0.07 0.00 0.52 0.00 0.00 34.95 32.35 3ivx s ARG 273 CO 0.00 0.28 -0.05 -0.51 0.02 0.00 0.00 175.30 175.04 3ivx s LEU 274 N 0.34 3.84 0.00 2.53 1.02 -0.10 -1.52 118.68 124.79 3ivx s LEU 274 Ca 0.01 -1.51 0.00 0.00 0.02 0.00 0.00 54.13 52.65 3ivx s LEU 274 Cb -0.13 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.47 3ivx s LEU 274 CO 0.01 -0.25 0.00 0.61 0.02 0.00 0.00 176.35 176.74 3ivx n GLY 275 N 4.46 3.14 0.78 -3.19 0.00 -1.26 -1.51 105.19 107.60 3ivx n GLY 275 Ca -0.11 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3ivx n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ivx n THR 276 N 0.00 0.43 -4.19 2.61 -2.24 -1.26 -4.97 114.28 104.66 3ivx n THR 276 Ca 0.00 -0.72 -0.34 0.00 -2.27 0.00 0.00 64.05 60.72 3ivx n THR 276 Cb 0.00 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 3ivx n THR 276 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ivx s THR 277 N -1.21 4.40 -0.16 4.28 -1.32 -0.57 -5.07 115.64 115.99 3ivx s THR 277 Ca 0.26 -0.18 -0.16 0.00 -1.21 0.00 0.00 61.69 60.40 3ivx s THR 277 Cb 0.15 -2.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 3ivx s THR 277 CO 0.22 0.49 0.38 -0.60 -2.21 0.00 0.00 174.62 172.89 3ivx s ARG 278 N 0.25 4.26 0.07 7.08 3.52 -1.26 -0.92 118.95 131.95 3ivx s ARG 278 Ca 0.01 0.23 0.08 0.00 -0.13 0.00 0.00 55.73 55.93 3ivx s ARG 278 Cb -0.13 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3ivx s ARG 278 CO 0.01 0.14 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.93 3ivx s LEU 279 N 0.73 2.54 0.10 -0.88 1.43 0.59 -4.99 118.68 118.21 3ivx s LEU 279 Ca 0.20 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3ivx s LEU 279 Cb -0.14 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3ivx s LEU 279 CO 0.07 0.23 -0.14 -0.76 0.23 0.00 0.00 176.35 175.98 3ivx s LEU 280 N -1.66 2.37 0.16 1.79 1.43 -1.26 -1.40 118.68 120.10 3ivx s LEU 280 Ca 0.15 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 3ivx s LEU 280 Cb -0.10 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.62 3ivx s LEU 280 CO 0.06 -0.13 0.42 -0.62 0.23 0.00 0.00 176.35 176.31 3ivx s ASP 281 N -2.24 -0.19 0.14 2.29 -1.08 -0.63 -4.89 116.67 110.08 3ivx s ASP 281 Ca 0.05 -0.48 -0.17 0.00 -0.52 0.00 0.00 52.55 51.44 3ivx s ASP 281 Cb -0.06 0.50 0.04 0.00 -1.46 0.00 0.00 42.92 41.94 3ivx s ASP 281 CO 0.02 -0.93 0.45 0.54 0.52 0.00 0.00 175.17 175.77 3ivx s ASN 282 N -2.86 -0.29 -0.04 -0.34 2.20 -1.26 -1.20 114.94 111.15 3ivx s ASN 282 Ca 0.07 -0.29 -0.14 0.00 -0.94 0.00 0.00 52.86 51.57 3ivx s ASN 282 Cb 0.01 0.51 0.02 0.00 -2.00 0.00 0.00 41.25 39.79 3ivx s ASN 282 CO -0.07 -0.90 0.31 -0.51 -2.94 0.00 0.00 177.10 173.00 3ivx s ILE 283 N -3.80 0.05 0.25 0.54 2.07 -0.14 -4.98 121.20 115.19 3ivx s ILE 283 Ca 0.03 -0.39 -0.31 0.00 -1.41 0.00 0.00 60.65 58.58 3ivx s ILE 283 Cb 0.01 -0.59 -0.11 0.00 0.13 0.00 0.00 42.46 41.90 3ivx s ILE 283 CO -0.11 -0.21 1.61 0.00 -1.91 0.00 0.00 174.94 174.32 3ivx s ALA 284 N -1.04 3.80 -0.04 1.50 0.00 -1.26 -0.67 121.76 124.04 3ivx s ALA 284 Ca -0.11 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.42 3ivx s ALA 284 Cb -0.05 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 3ivx s ALA 284 CO 0.03 -0.92 -0.15 0.42 0.00 0.00 0.00 175.76 175.14 3ivx s ILE 285 N 0.45 1.27 -0.17 0.00 -1.09 -0.68 -4.80 121.20 116.18 3ivx s ILE 285 Ca 0.67 -0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 3ivx s ILE 285 Cb -0.47 -1.10 0.00 0.00 -1.58 0.00 0.00 42.46 39.31 3ivx s ILE 285 CO 0.41 0.37 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.74 3ivx s GLU 286 N 0.10 3.18 -0.24 2.79 0.41 -1.26 0.06 118.70 123.74 3ivx s GLU 286 Ca -0.04 -0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 53.56 3ivx s GLU 286 Cb -0.11 -2.66 -0.02 0.00 -1.78 0.00 0.00 34.13 29.56 3ivx s GLU 286 CO 0.02 -0.07 0.64 0.42 -0.49 0.00 0.00 175.26 175.78 3ivx s ILE 287 N 1.03 4.98 0.00 -1.63 -1.09 -0.52 -4.56 121.20 119.42 3ivx s ILE 287 Ca -0.01 1.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 3ivx s ILE 287 Cb -0.15 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3ivx s ILE 287 CO -0.04 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.32