#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivx s SER 10 N 0.00 7.14 0.00 0.00 0.15 -1.26 -4.90 113.70 114.83 1ivx s SER 10 Ca 0.00 2.33 0.11 0.00 0.70 0.00 0.00 55.95 59.09 1ivx s SER 10 Cb 0.00 -2.63 0.68 0.00 -1.71 0.00 0.00 66.02 62.36 1ivx s SER 10 CO 0.00 -0.24 1.18 -0.81 1.20 0.00 0.00 173.24 174.57 1ivx n PRO 11 N 1.02 0.64 -0.07 5.44 -0.04 -1.26 -1.96 135.00 138.77 1ivx n PRO 11 Ca -0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1ivx n PRO 11 Cb 0.45 -1.28 0.09 0.00 -0.04 0.00 0.00 33.50 32.72 1ivx n PRO 11 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ivx n PHE 12 N -0.78 0.19 -1.32 0.54 3.72 -1.26 -4.64 117.46 113.91 1ivx n PHE 12 Ca 0.09 -0.21 -0.33 0.00 -0.05 0.00 0.00 57.45 56.94 1ivx n PHE 12 Cb 0.04 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 38.67 1ivx n PHE 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ivx s ARG 13 N -0.95 2.02 0.42 -1.08 1.70 -0.83 -4.75 118.95 115.50 1ivx s ARG 13 Ca 0.17 1.61 -0.24 0.00 -0.47 0.00 0.00 55.73 56.80 1ivx s ARG 13 Cb 0.10 -1.84 -0.08 0.00 -0.57 0.00 0.00 34.95 32.57 1ivx s ARG 13 CO 0.14 -1.89 1.16 -0.51 -1.08 0.00 0.00 175.30 173.12 1ivx s LEU 14 N -5.47 4.11 0.30 -1.89 1.43 -1.26 -4.98 118.68 110.93 1ivx s LEU 14 Ca 0.71 2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 55.81 1ivx s LEU 14 Cb -0.26 -4.13 -0.12 0.00 0.03 0.00 0.00 46.19 41.71 1ivx s LEU 14 CO 0.48 -0.76 1.42 0.00 0.23 0.00 0.00 176.35 177.72 1ivx n ALA 15 N -0.17 1.64 -2.54 4.21 0.00 -1.26 -4.99 120.51 117.40 1ivx n ALA 15 Ca 0.06 0.38 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1ivx n ALA 15 Cb 0.47 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 1ivx n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ivx s SER 16 N 0.09 5.76 0.26 0.00 1.04 -1.26 -4.32 113.70 115.26 1ivx s SER 16 Ca 0.61 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 1ivx s SER 16 Cb -0.57 -1.21 0.41 0.00 0.10 0.00 0.00 66.02 64.76 1ivx s SER 16 CO 0.55 -0.36 1.84 0.00 0.98 0.00 0.00 173.24 176.26 1ivx h ALA 17 N 1.06 1.29 -0.76 5.32 0.00 -1.94 -1.60 119.26 122.64 1ivx h ALA 17 Ca -0.46 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.54 1ivx h ALA 17 Cb 1.25 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1ivx h ALA 17 CO 0.56 0.24 0.41 0.78 0.00 0.00 0.00 179.25 181.24 1ivx h GLY 18 N 0.96 1.15 2.00 0.00 0.00 -1.99 0.11 103.07 105.30 1ivx h GLY 18 Ca 0.42 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 1ivx h GLY 18 CO -0.22 0.12 -0.51 0.83 0.00 0.00 0.00 176.54 176.76 1ivx h GLU 19 N 0.71 0.00 -0.07 4.80 5.08 -1.70 -1.18 114.58 122.23 1ivx h GLU 19 Ca 0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 1ivx h GLU 19 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ivx h GLU 19 CO -0.24 0.51 -0.06 0.82 -1.00 0.00 0.00 179.01 179.04 1ivx h ILE 20 N 0.00 1.37 -0.81 3.13 1.08 -0.65 -1.91 117.51 119.72 1ivx h ILE 20 Ca -0.01 -1.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.28 1ivx h ILE 20 Cb 0.94 2.03 -0.05 0.00 -3.07 0.00 0.00 36.82 36.67 1ivx h ILE 20 CO 0.07 0.33 0.52 0.28 -0.69 0.00 0.00 178.15 178.66 1ivx h SER 21 N -0.27 0.87 -0.16 1.72 0.02 -0.93 -1.99 113.55 112.80 1ivx h SER 21 Ca 0.01 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1ivx h SER 21 Cb 0.57 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1ivx h SER 21 CO 0.02 0.60 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.95 1ivx h GLU 22 N 1.02 0.44 -0.42 3.45 4.39 -1.14 -0.49 114.58 121.83 1ivx h GLU 22 Ca 0.32 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 1ivx h GLU 22 Cb -0.00 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1ivx h GLU 22 CO -0.11 0.49 -0.07 0.28 -1.16 0.00 0.00 179.01 178.44 1ivx h VAL 23 N 0.42 1.25 0.30 3.13 2.07 -0.61 0.08 116.25 122.90 1ivx h VAL 23 Ca 0.09 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1ivx h VAL 23 Cb 0.33 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ivx h VAL 23 CO 0.01 0.37 -0.14 -0.61 0.02 0.00 0.00 177.57 177.22 1ivx h GLN 24 N 0.67 -0.39 -0.69 1.57 4.15 -0.94 0.15 115.11 119.63 1ivx h GLN 24 Ca 0.12 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.66 1ivx h GLN 24 Cb 0.52 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.23 1ivx h GLN 24 CO 0.03 -0.09 0.33 0.78 -1.93 0.00 0.00 178.83 177.94 1ivx h GLY 25 N -0.69 1.03 1.30 2.39 0.00 -0.98 0.36 103.07 106.48 1ivx h GLY 25 Ca -0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1ivx h GLY 25 CO 0.07 0.04 -0.12 -2.22 0.00 0.00 0.00 176.54 174.31 1ivx h ILE 26 N 0.56 1.26 -0.20 2.60 2.04 -0.89 0.17 117.51 123.05 1ivx h ILE 26 Ca 0.34 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 1ivx h ILE 26 Cb 0.37 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1ivx h ILE 26 CO -0.28 0.41 -0.29 -0.07 0.00 0.00 0.00 178.15 177.93 1ivx h LEU 27 N 0.75 0.59 0.72 1.44 3.38 0.09 -2.45 115.31 119.82 1ivx h LEU 27 Ca 0.12 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1ivx h LEU 27 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1ivx h LEU 27 CO 0.04 0.99 -0.49 0.03 0.09 0.00 0.00 178.44 179.10 1ivx h ARG 28 N 0.21 -1.10 -1.11 1.13 3.08 -0.14 -0.46 114.38 115.98 1ivx h ARG 28 Ca 0.02 0.08 0.34 0.00 0.07 0.00 0.00 59.98 60.48 1ivx h ARG 28 Cb 0.86 0.25 -0.13 0.00 0.08 0.00 0.00 29.97 31.03 1ivx h ARG 28 CO 0.07 -0.74 0.68 1.15 -1.07 0.00 0.00 179.97 180.06 1ivx h THR 29 N -1.15 0.31 -0.00 2.04 2.02 -0.72 0.63 112.91 116.04 1ivx h THR 29 Ca -0.10 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1ivx h THR 29 Cb 0.93 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1ivx h THR 29 CO 0.07 0.05 -0.05 0.00 0.37 0.00 0.00 175.52 175.96 1ivx n ALA 30 N -2.41 2.67 -1.02 6.16 0.00 -0.92 -4.92 120.51 120.07 1ivx n ALA 30 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1ivx n ALA 30 Cb 1.08 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 1ivx n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivx n GLY 31 N 1.19 0.45 0.03 0.00 0.00 0.22 -4.94 105.19 102.13 1ivx n GLY 31 Ca 0.18 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1ivx n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ivx n LEU 32 N -0.09 0.26 -3.27 0.99 4.77 -0.24 -4.63 117.00 114.79 1ivx n LEU 32 Ca -0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1ivx n LEU 32 Cb 0.03 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1ivx n LEU 32 CO 0.01 -0.00 0.07 -0.11 -1.33 0.00 0.00 177.39 176.03 1ivx n LEU 33 N -2.23 3.70 0.00 2.23 7.94 -1.19 -4.93 117.00 122.52 1ivx n LEU 33 Ca -0.02 -5.46 -0.22 0.00 -1.11 0.00 0.00 56.01 49.20 1ivx n LEU 33 Cb 0.53 -0.54 0.16 0.00 0.53 0.00 0.00 43.42 44.11 1ivx n LEU 33 CO 0.44 2.15 0.60 0.61 -1.11 0.00 0.00 177.39 180.08 1ivx n GLY 34 N 0.57 -1.72 0.22 -3.96 0.00 -1.26 -4.69 105.19 94.35 1ivx n GLY 34 Ca 0.30 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.82 1ivx n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ivx h PRO 35 N 0.00 0.00 -0.30 1.61 0.13 -2.01 -1.89 132.00 129.54 1ivx h PRO 35 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ivx h PRO 35 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ivx h PRO 35 CO 0.22 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.38 1ivx n GLU 36 N -2.56 2.36 -3.83 0.86 -0.58 -1.26 -4.94 120.64 110.69 1ivx n GLU 36 Ca -0.01 -2.05 -0.35 0.00 -0.42 0.00 0.00 57.16 54.33 1ivx n GLU 36 Cb 0.11 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 1ivx n GLU 36 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1ivx s LYS 37 N -1.62 3.51 -0.02 3.49 -0.14 -0.71 -0.89 119.74 123.35 1ivx s LYS 37 Ca 0.36 -0.13 0.03 0.00 -1.36 0.00 0.00 55.97 54.87 1ivx s LYS 37 Cb 0.22 -3.14 -0.00 0.00 -1.68 0.00 0.00 37.83 33.23 1ivx s LYS 37 CO 0.31 0.71 -0.10 1.03 -0.76 0.00 0.00 175.35 176.54 1ivx s ARG 38 N -1.47 0.95 -0.57 1.68 1.81 0.45 -4.83 118.95 116.97 1ivx s ARG 38 Ca 0.22 -0.35 -0.26 0.00 -1.72 0.00 0.00 55.73 53.62 1ivx s ARG 38 Cb -0.13 -0.90 0.04 0.00 -0.45 0.00 0.00 34.95 33.51 1ivx s ARG 38 CO 0.12 0.17 1.07 0.42 -0.68 0.00 0.00 175.30 176.39 1ivx s ILE 39 N 0.01 4.19 -0.41 1.52 -1.09 0.67 0.38 121.20 126.47 1ivx s ILE 39 Ca -0.00 0.57 0.23 0.00 -2.23 0.00 0.00 60.65 59.22 1ivx s ILE 39 Cb -0.07 -4.64 0.27 0.00 -1.58 0.00 0.00 42.46 36.44 1ivx s ILE 39 CO 0.00 -1.25 1.50 0.00 -1.23 0.00 0.00 174.94 173.96 1ivx h ALA 40 N 9.45 0.90 -1.72 9.38 0.00 -1.51 -3.39 119.26 132.36 1ivx h ALA 40 Ca -0.26 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1ivx h ALA 40 Cb 1.06 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.61 1ivx h ALA 40 CO 1.14 0.00 0.24 -0.47 0.00 0.00 0.00 179.25 180.16 1ivx s TYR 41 N -3.24 -0.77 -0.04 0.00 5.04 -1.21 -4.69 117.35 112.45 1ivx s TYR 41 Ca 0.06 1.54 -0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1ivx s TYR 41 Cb 0.06 0.46 0.03 0.00 0.35 0.00 0.00 41.96 42.86 1ivx s TYR 41 CO 0.69 -0.38 0.02 -1.17 -1.34 0.00 0.00 175.55 173.37 1ivx s LEU 42 N 1.41 0.83 -0.13 6.97 0.20 -1.26 -0.13 118.68 126.57 1ivx s LEU 42 Ca -0.09 0.00 -0.21 0.00 0.69 0.00 0.00 54.13 54.52 1ivx s LEU 42 Cb -0.04 -0.21 0.05 0.00 -0.43 0.00 0.00 46.19 45.56 1ivx s LEU 42 CO -0.16 -0.15 0.53 -0.83 -0.29 0.00 0.00 176.35 175.44 1ivx s GLY 43 N 1.43 -0.40 0.31 7.98 0.00 -0.57 -4.64 107.32 111.45 1ivx s GLY 43 Ca -0.04 1.24 -0.28 0.00 0.00 0.00 0.00 44.72 45.63 1ivx s GLY 43 CO -0.03 0.99 1.12 0.54 0.00 0.00 0.00 173.10 175.72 1ivx s VAL 44 N -0.40 3.40 0.25 1.40 0.11 -1.26 -0.77 120.40 123.13 1ivx s VAL 44 Ca -0.05 1.33 -0.15 0.00 -2.93 0.00 0.00 61.98 60.18 1ivx s VAL 44 Cb -0.03 -3.82 -0.08 0.00 -1.53 0.00 0.00 36.38 30.92 1ivx s VAL 44 CO 0.04 0.26 0.67 -0.76 -3.33 0.00 0.00 175.10 171.98 1ivx s LEU 45 N -1.75 4.19 0.45 2.54 1.02 0.14 -4.86 118.68 120.41 1ivx s LEU 45 Ca 0.48 1.21 -0.21 0.00 0.02 0.00 0.00 54.13 55.63 1ivx s LEU 45 Cb -0.31 -3.76 -0.10 0.00 0.02 0.00 0.00 46.19 42.04 1ivx s LEU 45 CO 0.40 -0.08 0.99 -1.81 0.02 0.00 0.00 176.35 175.87 1ivx s ASP 46 N -2.06 6.70 0.31 2.29 1.01 -1.26 -4.64 116.67 119.03 1ivx s ASP 46 Ca 0.48 1.79 -0.29 0.00 0.71 0.00 0.00 52.55 55.24 1ivx s ASP 46 Cb -0.13 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.13 1ivx s ASP 46 CO 0.19 -0.53 1.26 -2.65 0.21 0.00 0.00 175.17 173.65 1ivx n PRO 47 N -0.75 1.97 -1.14 8.23 -0.02 -1.26 -4.91 135.00 137.11 1ivx n PRO 47 Ca 0.08 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 1ivx n PRO 47 Cb 0.53 -2.25 0.11 0.00 -0.02 0.00 0.00 33.50 31.88 1ivx n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ivx s ALA 48 N -0.92 2.00 -0.10 3.55 0.00 -1.26 -4.95 121.76 120.08 1ivx s ALA 48 Ca 0.58 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1ivx s ALA 48 Cb -0.61 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1ivx s ALA 48 CO 0.60 -2.04 1.56 0.50 0.00 0.00 0.00 175.76 176.37 1ivx s ARG 49 N -4.86 4.16 0.00 0.00 6.06 -1.26 -3.82 118.95 119.23 1ivx s ARG 49 Ca 0.62 2.02 0.00 0.00 -2.50 0.00 0.00 55.73 55.87 1ivx s ARG 49 Cb -0.18 -3.94 0.00 0.00 0.06 0.00 0.00 34.95 30.89 1ivx s ARG 49 CO 0.57 -0.85 0.00 0.41 -2.50 0.00 0.00 175.30 172.92 1ivx n GLY 50 N 4.05 -0.06 7.00 8.12 0.00 -1.26 -5.11 105.19 117.94 1ivx n GLY 50 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ivx n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx n ALA 51 N 0.00 0.00 -2.50 4.61 0.00 -1.25 -4.64 120.51 116.72 1ivx n ALA 51 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ivx n ALA 51 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1ivx n ALA 51 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ivx s GLY 52 N -3.52 1.83 0.41 0.00 0.00 -1.26 -4.81 107.32 99.97 1ivx s GLY 52 Ca 0.00 -1.35 0.09 0.00 0.00 0.00 0.00 44.72 43.46 1ivx s GLY 52 CO 0.00 1.28 2.02 1.76 0.00 0.00 0.00 173.10 178.17 1ivx h SER 53 N 8.73 0.46 0.00 1.64 0.02 -1.99 -3.47 113.55 118.95 1ivx h SER 53 Ca -0.26 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ivx h SER 53 Cb 1.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ivx h SER 53 CO 0.82 0.31 0.00 1.21 -1.14 0.00 0.00 176.83 178.03 1ivx n GLU 54 N -4.47 0.00 -0.67 3.45 2.13 -1.26 -5.14 120.64 114.67 1ivx n GLU 54 Ca 0.06 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.57 1ivx n GLU 54 Cb 0.17 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.06 1ivx n GLU 54 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ivx n ALA 55 N -3.00 -1.42 -1.78 4.31 0.00 -1.26 -4.94 120.51 112.43 1ivx n ALA 55 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 53.44 52.41 1ivx n ALA 55 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1ivx n ALA 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ivx s GLU 56 N -4.43 4.18 -0.57 0.00 1.03 -1.26 -5.00 118.70 112.65 1ivx s GLU 56 Ca 0.65 1.57 0.00 0.00 0.03 0.00 0.00 54.97 57.22 1ivx s GLU 56 Cb -0.23 -2.60 0.15 0.00 -0.80 0.00 0.00 34.13 30.65 1ivx s GLU 56 CO 0.60 -0.14 0.35 0.34 -1.33 0.00 0.00 175.26 175.09 1ivx s ASP 57 N -1.47 4.85 -0.46 0.83 2.15 -1.26 -4.95 116.67 116.35 1ivx s ASP 57 Ca 0.57 -2.89 -0.28 0.00 0.43 0.00 0.00 52.55 50.37 1ivx s ASP 57 Cb -0.24 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1ivx s ASP 57 CO 0.30 -0.32 1.54 -0.13 -0.17 0.00 0.00 175.17 176.39 1ivx s ARG 58 N -0.12 3.34 0.11 4.34 1.81 -1.26 -4.97 118.95 122.21 1ivx s ARG 58 Ca 0.17 0.85 0.04 0.00 -1.72 0.00 0.00 55.73 55.07 1ivx s ARG 58 Cb -0.22 -4.13 -0.04 0.00 -0.45 0.00 0.00 34.95 30.11 1ivx s ARG 58 CO -0.02 -1.86 0.06 1.03 -0.68 0.00 0.00 175.30 173.83 1ivx s ARG 59 N 5.48 2.75 -0.04 3.54 0.52 -1.26 -1.56 118.95 128.37 1ivx s ARG 59 Ca 0.63 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 1ivx s ARG 59 Cb -0.14 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1ivx s ARG 59 CO 0.29 0.53 -0.07 -0.06 0.02 0.00 0.00 175.30 176.01 1ivx s PHE 60 N -1.49 0.89 -0.08 -0.53 0.40 0.11 -0.69 117.98 116.60 1ivx s PHE 60 Ca 0.29 -0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 56.26 1ivx s PHE 60 Cb -0.11 -0.69 -0.05 0.00 0.51 0.00 0.00 43.02 42.68 1ivx s PHE 60 CO 0.21 -0.15 0.25 0.50 0.70 0.00 0.00 175.22 176.73 1ivx s ARG 61 N 0.53 3.69 0.00 0.44 3.52 0.05 -0.72 118.95 126.47 1ivx s ARG 61 Ca -0.08 0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 1ivx s ARG 61 Cb -0.12 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 1ivx s ARG 61 CO 0.01 0.70 -0.04 0.08 -0.81 0.00 0.00 175.30 175.24 1ivx s VAL 62 N -0.93 0.34 -0.22 7.11 1.01 0.96 -1.50 120.40 127.17 1ivx s VAL 62 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1ivx s VAL 62 Cb -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1ivx s VAL 62 CO 0.07 0.03 -0.03 -0.36 0.00 0.00 0.00 175.10 174.82 1ivx s PHE 63 N -0.25 2.98 -0.27 5.22 0.08 0.82 -0.99 117.98 125.56 1ivx s PHE 63 Ca 0.00 -0.86 -0.06 0.00 0.12 0.00 0.00 56.93 56.13 1ivx s PHE 63 Cb -0.03 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1ivx s PHE 63 CO -0.00 -0.52 0.06 0.42 -0.10 0.00 0.00 175.22 175.08 1ivx s ILE 64 N 1.49 3.97 0.09 0.64 1.01 0.85 -1.29 121.20 127.97 1ivx s ILE 64 Ca 0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 1ivx s ILE 64 Cb -0.14 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1ivx s ILE 64 CO -0.02 0.22 0.48 -2.28 0.00 0.00 0.00 174.94 173.34 1ivx s HIS 65 N 1.53 3.64 -0.28 3.97 5.65 0.16 -1.74 115.29 128.23 1ivx s HIS 65 Ca 0.04 0.99 -0.04 0.00 0.25 0.00 0.00 55.06 56.30 1ivx s HIS 65 Cb -0.16 -2.30 0.02 0.00 -1.18 0.00 0.00 32.58 28.96 1ivx s HIS 65 CO 0.02 0.51 0.01 0.34 -0.65 0.00 0.00 174.74 174.97 1ivx s ASP 66 N -1.57 4.76 0.09 9.88 -1.08 -1.26 -0.41 116.67 127.08 1ivx s ASP 66 Ca 0.33 -0.86 0.16 0.00 -0.52 0.00 0.00 52.55 51.66 1ivx s ASP 66 Cb -0.15 -1.77 0.69 0.00 -1.46 0.00 0.00 42.92 40.23 1ivx s ASP 66 CO 0.18 -0.18 1.50 1.33 0.52 0.00 0.00 175.17 178.52 1ivx n VAL 67 N 4.75 1.05 0.96 1.11 0.24 -0.07 -2.26 118.33 124.10 1ivx n VAL 67 Ca -0.15 0.29 0.11 0.00 -2.04 0.00 0.00 64.34 62.55 1ivx n VAL 67 Cb 0.47 -1.12 0.32 0.00 -1.47 0.00 0.00 33.84 32.03 1ivx n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ivx n SER 68 N -1.74 2.23 0.00 -1.34 3.41 -1.26 -4.94 113.62 109.99 1ivx n SER 68 Ca 0.03 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1ivx n SER 68 Cb 0.17 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1ivx n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ivx n GLY 69 N 1.25 0.63 3.77 5.00 0.00 -0.96 -5.06 105.19 109.81 1ivx n GLY 69 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1ivx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx s ALA 70 N -2.37 2.49 0.34 4.61 0.00 -1.26 -4.95 121.76 120.62 1ivx s ALA 70 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1ivx s ALA 70 Cb 0.00 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1ivx s ALA 70 CO 0.00 -1.21 1.39 0.54 0.00 0.00 0.00 175.76 176.49 1ivx n ARG 71 N -2.13 2.33 -1.86 0.00 1.74 -1.26 -4.33 116.66 111.16 1ivx n ARG 71 Ca 0.11 0.82 -0.30 0.00 -0.77 0.00 0.00 57.85 57.72 1ivx n ARG 71 Cb 0.51 -2.47 0.18 0.00 -1.02 0.00 0.00 32.46 29.66 1ivx n ARG 71 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ivx s PRO 72 N -1.64 0.69 0.02 5.56 0.04 -1.26 -4.77 135.00 133.65 1ivx s PRO 72 Ca 0.57 -0.30 0.01 0.00 0.04 0.00 0.00 61.00 61.32 1ivx s PRO 72 Cb -0.54 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1ivx s PRO 72 CO 0.60 -2.40 -0.04 -0.65 0.04 0.00 0.00 177.00 174.55 1ivx s GLN 73 N -5.80 0.35 -0.22 4.56 -0.21 -0.71 -0.08 119.66 117.55 1ivx s GLN 73 Ca 0.72 -0.61 -0.06 0.00 0.02 0.00 0.00 55.36 55.44 1ivx s GLN 73 Cb -0.05 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.93 1ivx s GLN 73 CO 0.53 -0.02 0.02 -2.00 -2.12 0.00 0.00 175.29 171.69 1ivx s GLU 74 N -1.38 3.59 -0.02 2.91 2.12 0.10 -0.10 118.70 125.92 1ivx s GLU 74 Ca -0.13 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 54.70 1ivx s GLU 74 Cb -0.09 -3.15 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 1ivx s GLU 74 CO -0.01 -0.09 -0.08 0.08 -0.54 0.00 0.00 175.26 174.62 1ivx s VAL 75 N 1.29 0.70 -0.16 3.70 1.01 -0.16 -1.02 120.40 125.76 1ivx s VAL 75 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1ivx s VAL 75 Cb -0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1ivx s VAL 75 CO 0.01 0.21 -0.10 -0.89 0.00 0.00 0.00 175.10 174.33 1ivx s THR 76 N 0.03 3.15 0.24 3.92 2.01 -0.77 -0.02 115.64 124.19 1ivx s THR 76 Ca -0.00 -0.61 0.11 0.00 0.31 0.00 0.00 61.69 61.50 1ivx s THR 76 Cb -0.06 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1ivx s THR 76 CO 0.00 0.50 -0.17 0.68 -0.69 0.00 0.00 174.62 174.94 1ivx s VAL 77 N 0.69 2.69 -0.42 3.82 -7.23 0.11 -0.46 120.40 119.60 1ivx s VAL 77 Ca -0.05 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 57.98 1ivx s VAL 77 Cb -0.15 -2.37 0.11 0.00 0.56 0.00 0.00 36.38 34.53 1ivx s VAL 77 CO 0.02 -0.27 0.21 -0.55 -0.31 0.00 0.00 175.10 174.20 1ivx s SER 78 N -3.18 5.21 0.61 4.85 0.15 0.41 -0.71 113.70 121.04 1ivx s SER 78 Ca 0.27 -2.09 0.36 0.00 0.70 0.00 0.00 55.95 55.18 1ivx s SER 78 Cb -0.07 -1.81 1.96 0.00 -1.71 0.00 0.00 66.02 64.39 1ivx s SER 78 CO 0.14 -0.52 2.25 1.62 1.20 0.00 0.00 173.24 177.93 1ivx h VAL 79 N 6.32 0.28 0.34 4.45 3.04 -1.56 0.26 116.25 129.38 1ivx h VAL 79 Ca -0.12 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 1ivx h VAL 79 Cb 1.04 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1ivx h VAL 79 CO 0.69 0.02 -0.16 0.74 -1.01 0.00 0.00 177.57 177.85 1ivx h THR 80 N 0.00 0.62 -0.00 3.17 2.02 -1.92 -3.27 112.91 113.52 1ivx h THR 80 Ca -0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1ivx h THR 80 Cb 0.11 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1ivx h THR 80 CO 0.00 0.11 -0.29 0.59 0.37 0.00 0.00 175.52 176.30 1ivx n ASN 81 N -5.14 0.57 -2.10 4.18 3.02 -1.07 -4.93 115.26 109.79 1ivx n ASN 81 Ca -0.09 -0.40 -0.16 0.00 -0.03 0.00 0.00 54.58 53.90 1ivx n ASN 81 Cb 0.27 0.06 0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1ivx n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ivx n GLY 82 N 1.41 -0.21 3.59 7.41 0.00 0.86 -5.01 105.19 113.24 1ivx n GLY 82 Ca 0.09 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1ivx n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ivx s THR 83 N -2.93 2.26 -0.28 2.61 -4.23 -0.95 -4.96 115.64 107.16 1ivx s THR 83 Ca 0.15 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 1ivx s THR 83 Cb -0.07 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 71.02 1ivx s THR 83 CO 0.19 -0.15 0.04 -0.69 -0.54 0.00 0.00 174.62 173.47 1ivx s VAL 84 N -2.61 3.68 0.09 2.29 1.01 -1.26 -0.44 120.40 123.15 1ivx s VAL 84 Ca 0.34 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1ivx s VAL 84 Cb 0.04 -2.89 -0.16 0.00 0.00 0.00 0.00 36.38 33.36 1ivx s VAL 84 CO 0.18 0.12 1.28 0.40 0.00 0.00 0.00 175.10 177.08 1ivx h ILE 85 N 5.93 1.29 -2.66 2.22 1.08 -1.10 -3.48 117.51 120.78 1ivx h ILE 85 Ca -0.32 -1.96 0.05 0.00 -0.39 0.00 0.00 64.86 62.24 1ivx h ILE 85 Cb 1.12 2.04 -0.13 0.00 -3.07 0.00 0.00 36.82 36.78 1ivx h ILE 85 CO 0.59 0.62 0.34 -0.94 -0.69 0.00 0.00 178.15 178.08 1ivx s SER 86 N -7.05 -0.44 -0.30 1.72 1.04 -1.15 -4.98 113.70 102.54 1ivx s SER 86 Ca -0.11 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.30 1ivx s SER 86 Cb 0.08 0.51 0.20 0.00 0.10 0.00 0.00 66.02 66.91 1ivx s SER 86 CO 0.89 -0.84 0.65 0.00 0.98 0.00 0.00 173.24 174.92 1ivx s ALA 87 N -3.47 -2.62 -0.03 5.32 0.00 -1.26 -1.85 121.76 117.85 1ivx s ALA 87 Ca 0.04 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1ivx s ALA 87 Cb -0.01 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1ivx s ALA 87 CO -0.09 -1.89 0.04 0.14 0.00 0.00 0.00 175.76 173.96 1ivx s VAL 88 N 2.78 4.53 0.23 0.00 -7.23 -0.19 -4.93 120.40 115.59 1ivx s VAL 88 Ca 0.13 -0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 59.70 1ivx s VAL 88 Cb -0.09 -3.01 -0.09 0.00 0.56 0.00 0.00 36.38 33.76 1ivx s VAL 88 CO -0.24 0.44 0.78 -0.70 -0.31 0.00 0.00 175.10 175.06 1ivx s GLU 89 N -1.43 4.37 -0.02 4.82 2.12 -1.26 -0.72 118.70 126.58 1ivx s GLU 89 Ca 0.19 1.01 0.01 0.00 0.36 0.00 0.00 54.97 56.55 1ivx s GLU 89 Cb -0.12 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 1ivx s GLU 89 CO 0.09 0.40 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.68 1ivx s LEU 90 N -1.86 3.39 -0.99 2.70 1.43 0.89 -4.91 118.68 119.33 1ivx s LEU 90 Ca 0.43 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1ivx s LEU 90 Cb -0.18 -1.90 0.25 0.00 0.03 0.00 0.00 46.19 44.39 1ivx s LEU 90 CO 0.22 0.30 0.96 -0.62 0.23 0.00 0.00 176.35 177.44 1ivx s ASP 91 N -1.34 6.93 0.54 2.29 3.68 -1.26 -4.25 116.67 123.26 1ivx s ASP 91 Ca 0.17 -3.36 0.26 0.00 2.13 0.00 0.00 52.55 51.75 1ivx s ASP 91 Cb -0.11 -2.16 1.42 0.00 -1.45 0.00 0.00 42.92 40.62 1ivx s ASP 91 CO 0.07 -0.35 1.99 0.71 0.13 0.00 0.00 175.17 177.73 1ivx h THR 92 N 4.06 0.69 0.00 1.71 1.35 -1.95 0.99 112.91 119.76 1ivx h THR 92 Ca 0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.00 1ivx h THR 92 Cb 0.91 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1ivx h THR 92 CO 0.91 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 176.12 1ivx h ALA 93 N 1.71 1.06 0.00 6.62 0.00 -1.87 -0.42 119.26 126.36 1ivx h ALA 93 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ivx h ALA 93 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ivx h ALA 93 CO -0.00 0.09 -0.36 0.00 0.00 0.00 0.00 179.25 178.97 1ivx n ALA 94 N -2.15 0.32 1.16 0.00 0.00 0.24 -4.69 120.51 115.40 1ivx n ALA 94 Ca -0.00 -0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.20 1ivx n ALA 94 Cb 0.28 0.01 0.42 0.00 0.00 0.00 0.00 19.45 20.17 1ivx n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ivx n THR 95 N -3.59 0.00 0.00 0.00 -2.24 -0.60 -4.88 114.28 102.97 1ivx n THR 95 Ca -0.05 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1ivx n THR 95 Cb 0.19 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1ivx n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 96 N 1.40 2.75 3.87 3.38 0.00 -0.17 -4.46 105.19 111.96 1ivx n GLY 96 Ca 0.10 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1ivx n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ivx s GLU 97 N -3.64 2.97 0.66 1.61 0.41 -0.37 -4.46 118.70 115.88 1ivx s GLU 97 Ca 0.00 0.57 -0.11 0.00 -0.41 0.00 0.00 54.97 55.02 1ivx s GLU 97 Cb 0.00 -2.02 -0.02 0.00 -1.78 0.00 0.00 34.13 30.31 1ivx s GLU 97 CO 0.00 -0.98 1.05 -0.51 -0.49 0.00 0.00 175.26 174.33 1ivx s LEU 98 N -5.36 3.13 0.57 1.80 1.43 -1.26 -3.94 118.68 115.05 1ivx s LEU 98 Ca 0.58 1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 54.89 1ivx s LEU 98 Cb -0.11 -4.36 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 1ivx s LEU 98 CO 0.53 -1.10 0.85 -2.65 0.23 0.00 0.00 176.35 174.20 1ivx n PRO 99 N -2.89 0.84 -2.23 1.29 -0.02 -1.26 -4.71 135.00 126.01 1ivx n PRO 99 Ca 0.06 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1ivx n PRO 99 Cb 0.55 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1ivx n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ivx s VAL 100 N -1.54 2.98 0.31 -1.45 1.01 -0.59 -4.94 120.40 116.17 1ivx s VAL 100 Ca 0.72 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 63.62 1ivx s VAL 100 Cb -0.44 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1ivx s VAL 100 CO 0.50 0.23 0.59 -0.76 0.00 0.00 0.00 175.10 175.66 1ivx s LEU 101 N -1.62 4.02 0.15 3.92 1.43 -1.26 -4.87 118.68 120.46 1ivx s LEU 101 Ca 0.48 0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 54.21 1ivx s LEU 101 Cb -0.37 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.25 1ivx s LEU 101 CO 0.49 -0.23 1.79 -0.33 0.23 0.00 0.00 176.35 178.30 1ivx h GLU 102 N 1.64 0.41 -0.03 1.70 5.08 -1.98 -2.16 114.58 119.25 1ivx h GLU 102 Ca -0.48 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1ivx h GLU 102 Cb 1.19 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ivx h GLU 102 CO 0.66 0.27 0.10 1.05 -1.00 0.00 0.00 179.01 180.09 1ivx h GLU 103 N 0.42 0.00 0.00 2.33 4.11 -2.00 -0.52 114.58 118.92 1ivx h GLU 103 Ca 0.14 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.54 1ivx h GLU 103 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1ivx h GLU 103 CO -0.07 0.00 -0.74 0.93 0.07 0.00 0.00 179.01 179.20 1ivx h GLU 104 N 0.00 0.00 -0.15 1.06 5.08 -1.75 -3.27 114.58 115.54 1ivx h GLU 104 Ca 0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1ivx h GLU 104 Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1ivx h GLU 104 CO -0.00 0.09 -0.76 0.74 -1.00 0.00 0.00 179.01 178.08 1ivx h PHE 105 N 0.00 1.06 0.00 4.33 0.04 -0.97 -3.13 116.94 118.28 1ivx h PHE 105 Ca -0.02 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1ivx h PHE 105 Cb 1.13 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.11 1ivx h PHE 105 CO 0.00 1.30 0.00 0.39 -0.60 0.00 0.00 178.31 179.40 1ivx n GLU 106 N -3.96 0.18 0.08 1.51 1.02 -1.14 -2.91 120.64 115.42 1ivx n GLU 106 Ca -0.08 0.43 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1ivx n GLU 106 Cb 0.74 -1.86 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1ivx n GLU 106 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ivx h VAL 107 N 0.00 1.55 -0.42 2.62 2.07 -1.59 -3.37 116.25 117.11 1ivx h VAL 107 Ca 0.00 -2.97 0.01 0.00 0.82 0.00 0.00 66.70 64.56 1ivx h VAL 107 Cb 0.32 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1ivx h VAL 107 CO 0.00 0.86 0.26 0.58 0.02 0.00 0.00 177.57 179.29 1ivx h VAL 108 N 0.07 1.07 -0.08 2.57 2.07 -1.64 -2.13 116.25 118.18 1ivx h VAL 108 Ca -0.07 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1ivx h VAL 108 Cb 1.73 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1ivx h VAL 108 CO 0.16 0.10 -0.06 -0.08 0.02 0.00 0.00 177.57 177.70 1ivx h GLU 109 N 0.52 0.18 -0.70 1.57 4.81 -1.78 -2.39 114.58 116.78 1ivx h GLU 109 Ca 0.16 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1ivx h GLU 109 Cb -0.02 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1ivx h GLU 109 CO -0.06 0.59 0.45 -0.56 -0.73 0.00 0.00 179.01 178.71 1ivx h GLN 110 N -0.23 0.88 -0.36 1.92 3.07 -1.71 -1.49 115.11 117.18 1ivx h GLN 110 Ca 0.01 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.59 1ivx h GLN 110 Cb 0.56 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 1ivx h GLN 110 CO 0.02 0.58 -0.24 -0.07 0.09 0.00 0.00 178.83 179.21 1ivx h LEU 111 N 0.91 0.73 -0.78 0.06 3.38 -1.40 -2.96 115.31 115.25 1ivx h LEU 111 Ca 0.27 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1ivx h LEU 111 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1ivx h LEU 111 CO -0.08 0.95 -0.48 -0.07 0.09 0.00 0.00 178.44 178.84 1ivx h LEU 112 N 0.63 0.00 -0.35 1.67 3.38 -1.14 -3.18 115.31 116.33 1ivx h LEU 112 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ivx h LEU 112 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ivx h LEU 112 CO 0.06 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.07 1ivx n ALA 113 N -2.33 1.32 -0.22 1.53 0.00 -0.58 -1.98 120.51 118.25 1ivx n ALA 113 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ivx n ALA 113 Cb 0.57 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1ivx n ALA 113 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ivx n THR 114 N -1.74 0.72 -3.19 0.00 -2.24 -1.20 -4.94 114.28 101.69 1ivx n THR 114 Ca 0.01 -0.75 -0.39 0.00 -2.27 0.00 0.00 64.05 60.66 1ivx n THR 114 Cb 0.10 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 1ivx n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ivx s ASP 115 N -0.72 6.98 0.26 3.42 -1.08 -0.84 -4.97 116.67 119.73 1ivx s ASP 115 Ca 0.00 1.17 0.12 0.00 -0.52 0.00 0.00 52.55 53.32 1ivx s ASP 115 Cb 0.00 -2.37 0.28 0.00 -1.46 0.00 0.00 42.92 39.37 1ivx s ASP 115 CO 0.00 0.09 1.55 1.05 0.52 0.00 0.00 175.17 178.38 1ivx h GLU 116 N 5.67 0.00 0.00 4.34 4.11 -1.95 -1.54 114.58 125.21 1ivx h GLU 116 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ivx h GLU 116 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ivx h GLU 116 CO 0.70 0.64 0.00 0.07 0.07 0.00 0.00 179.01 180.49 1ivx h ARG 117 N 0.00 0.00 0.01 1.06 0.11 -1.94 0.53 114.38 114.15 1ivx h ARG 117 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ivx h ARG 117 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1ivx h ARG 117 CO 0.08 0.00 -0.01 2.35 0.10 0.00 0.00 179.97 182.50 1ivx h TRP 118 N 0.00 -0.02 -0.97 4.08 2.91 -1.81 -2.68 115.95 117.46 1ivx h TRP 118 Ca 0.00 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.18 1ivx h TRP 118 Cb 0.79 0.01 -0.09 0.00 -0.51 0.00 0.00 29.16 29.36 1ivx h TRP 118 CO 0.00 0.67 0.61 -0.07 -1.03 0.00 0.00 178.44 178.62 1ivx h LEU 119 N -0.97 0.75 -0.83 0.65 3.38 -1.22 0.24 115.31 117.31 1ivx h LEU 119 Ca -0.00 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ivx h LEU 119 Cb 0.69 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1ivx h LEU 119 CO 0.00 0.33 0.13 0.50 0.09 0.00 0.00 178.44 179.49 1ivx h LYS 120 N 0.76 1.01 -0.53 1.13 3.64 -0.91 -0.98 116.57 120.70 1ivx h LYS 120 Ca 0.52 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1ivx h LYS 120 Cb 0.80 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1ivx h LYS 120 CO -0.29 0.91 -0.07 0.00 -2.27 0.00 0.00 179.45 177.73 1ivx h ALA 121 N 1.18 0.72 -0.52 5.00 0.00 -0.24 -1.88 119.26 123.52 1ivx h ALA 121 Ca 0.20 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1ivx h ALA 121 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ivx h ALA 121 CO 0.00 0.60 -0.16 -0.07 0.00 0.00 0.00 179.25 179.62 1ivx h LEU 122 N 0.85 1.04 -1.08 0.00 3.38 -0.92 -2.95 115.31 115.64 1ivx h LEU 122 Ca 0.14 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1ivx h LEU 122 Cb 0.63 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1ivx h LEU 122 CO 0.04 1.18 0.15 0.00 0.09 0.00 0.00 178.44 179.90 1ivx h ALA 123 N 0.90 1.26 0.00 1.53 0.00 -1.06 0.70 119.26 122.59 1ivx h ALA 123 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ivx h ALA 123 Cb 0.74 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ivx h ALA 123 CO 0.06 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1ivx h ALA 124 N 1.38 1.00 -0.12 0.00 0.00 -1.16 -1.45 119.26 118.91 1ivx h ALA 124 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ivx h ALA 124 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ivx h ALA 124 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 1ivx n ARG 125 N -2.42 1.49 -2.66 0.00 1.74 -0.34 -4.98 116.66 109.50 1ivx n ARG 125 Ca 0.00 -1.41 -0.21 0.00 -0.77 0.00 0.00 57.85 55.47 1ivx n ARG 125 Cb 0.16 -1.16 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1ivx n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ivx n ASN 126 N 0.28 -5.89 -4.83 0.55 3.02 -0.41 -4.97 115.26 103.00 1ivx n ASN 126 Ca 0.06 -0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.10 1ivx n ASN 126 Cb 0.27 -4.82 -0.06 0.00 -0.61 0.00 0.00 39.78 34.56 1ivx n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ivx s LEU 127 N -6.13 4.43 -0.32 3.41 1.43 0.09 -4.99 118.68 116.61 1ivx s LEU 127 Ca 0.13 0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 53.81 1ivx s LEU 127 Cb -0.06 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.68 1ivx s LEU 127 CO 0.16 0.30 0.95 -0.62 0.23 0.00 0.00 176.35 177.38 1ivx s ASP 128 N -0.84 6.81 0.51 2.29 -1.08 -1.26 -4.42 116.67 118.68 1ivx s ASP 128 Ca 0.22 0.87 0.26 0.00 -0.52 0.00 0.00 52.55 53.38 1ivx s ASP 128 Cb -0.16 -2.48 1.35 0.00 -1.46 0.00 0.00 42.92 40.17 1ivx s ASP 128 CO 0.11 -0.77 1.92 1.62 0.52 0.00 0.00 175.17 178.57 1ivx h VAL 129 N 5.68 0.65 0.00 1.11 3.04 -1.95 0.19 116.25 124.97 1ivx h VAL 129 Ca -0.22 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1ivx h VAL 129 Cb 1.08 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1ivx h VAL 129 CO 0.97 0.02 0.00 -1.54 -1.01 0.00 0.00 177.57 176.01 1ivx n SER 130 N -4.36 0.19 -0.48 3.17 3.41 -1.26 -2.41 113.62 111.89 1ivx n SER 130 Ca 0.16 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.36 1ivx n SER 130 Cb 0.77 -0.59 0.09 0.00 -0.26 0.00 0.00 64.21 64.22 1ivx n SER 130 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ivx n LYS 131 N -1.72 1.77 -3.34 4.33 5.02 0.66 -4.94 118.16 119.94 1ivx n LYS 131 Ca 0.03 -1.58 -0.43 0.00 -2.02 0.00 0.00 58.31 54.30 1ivx n LYS 131 Cb 0.17 -1.21 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 1ivx n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ivx s VAL 132 N -0.91 5.12 0.31 -0.18 1.01 -1.01 -0.61 120.40 124.13 1ivx s VAL 132 Ca 0.16 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 1ivx s VAL 132 Cb 0.09 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1ivx s VAL 132 CO 0.13 -0.44 0.73 -0.13 0.00 0.00 0.00 175.10 175.39 1ivx s ARG 133 N 2.03 4.01 -0.07 2.72 1.81 0.88 -4.90 118.95 125.44 1ivx s ARG 133 Ca 0.10 0.66 0.04 0.00 -1.72 0.00 0.00 55.73 54.81 1ivx s ARG 133 Cb -0.18 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 1ivx s ARG 133 CO 0.12 0.18 -0.19 0.08 -0.68 0.00 0.00 175.30 174.81 1ivx s VAL 134 N -1.95 1.62 -0.48 3.52 1.01 -1.26 -0.80 120.40 122.07 1ivx s VAL 134 Ca 0.53 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1ivx s VAL 134 Cb -0.11 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.91 1ivx s VAL 134 CO 0.18 0.46 0.59 0.00 0.00 0.00 0.00 175.10 176.33 1ivx s ALA 135 N 0.30 3.39 -0.48 5.51 0.00 0.59 -4.86 121.76 126.21 1ivx s ALA 135 Ca -0.12 -1.61 -0.26 0.00 0.00 0.00 0.00 51.96 49.97 1ivx s ALA 135 Cb -0.15 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1ivx s ALA 135 CO 0.05 -1.89 0.99 -1.25 0.00 0.00 0.00 175.76 173.66 1ivx s PRO 136 N 2.57 3.56 0.12 0.00 0.04 -1.26 -2.35 135.00 137.68 1ivx s PRO 136 Ca 0.16 0.24 0.09 0.00 0.04 0.00 0.00 61.00 61.52 1ivx s PRO 136 Cb -0.18 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1ivx s PRO 136 CO 0.13 -1.31 -0.18 -0.51 0.04 0.00 0.00 177.00 175.18 1ivx s LEU 137 N 4.01 2.72 0.35 -3.56 1.43 0.01 -4.93 118.68 118.70 1ivx s LEU 137 Ca 0.40 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.67 1ivx s LEU 137 Cb -0.09 -1.56 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 1ivx s LEU 137 CO 0.27 0.18 1.16 -1.54 0.23 0.00 0.00 176.35 176.65 1ivx n SER 138 N 0.77 2.09 0.08 2.29 3.41 -1.26 -0.71 113.62 120.29 1ivx n SER 138 Ca -0.15 1.16 -0.09 0.00 -0.26 0.00 0.00 58.87 59.53 1ivx n SER 138 Cb 0.53 -1.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.00 1ivx n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ivx h ALA 139 N 2.18 0.42 -0.39 7.33 0.00 -1.92 -3.42 119.26 123.45 1ivx h ALA 139 Ca -0.44 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1ivx h ALA 139 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ivx h ALA 139 CO 0.61 1.05 0.00 0.41 0.00 0.00 0.00 179.25 181.32 1ivx n GLY 140 N 1.13 -1.01 2.82 0.00 0.00 -1.26 -4.74 105.19 102.13 1ivx n GLY 140 Ca -0.03 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1ivx n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivx s VAL 141 N 0.00 0.93 0.00 1.61 1.01 -1.26 -4.53 120.40 118.17 1ivx s VAL 141 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ivx s VAL 141 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1ivx s VAL 141 CO 0.00 -0.12 0.00 0.49 0.00 0.00 0.00 175.10 175.47 1ivx n PHE 142 N 4.90 0.00 1.44 5.22 3.72 -1.26 -4.90 117.46 126.58 1ivx n PHE 142 Ca -0.10 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 1ivx n PHE 142 Cb 0.46 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.05 1ivx n PHE 142 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1ivx n GLU 143 N 0.00 1.32 -2.87 -1.08 0.00 -1.26 -4.70 120.64 112.05 1ivx n GLU 143 Ca 0.00 -0.40 -0.44 0.00 0.00 0.00 0.00 57.16 56.32 1ivx n GLU 143 Cb 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 31.44 30.21 1ivx n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1ivx s TYR 144 N -1.71 3.15 0.48 -1.84 2.02 -1.26 -4.86 117.35 113.32 1ivx s TYR 144 Ca 0.07 -1.56 0.21 0.00 -0.37 0.00 0.00 57.07 55.42 1ivx s TYR 144 Cb 0.04 -4.36 1.24 0.00 -0.40 0.00 0.00 41.96 38.47 1ivx s TYR 144 CO 0.04 -1.53 1.97 0.00 -1.57 0.00 0.00 175.55 174.46 1ivx h ALA 145 N 8.38 2.31 0.00 3.71 0.00 -2.01 0.17 119.26 131.83 1ivx h ALA 145 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ivx h ALA 145 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ivx h ALA 145 CO 1.20 -0.47 0.00 -0.85 0.00 0.00 0.00 179.25 179.13 1ivx n GLU 146 N -4.42 0.18 0.15 0.00 0.00 -1.26 -2.57 120.64 112.70 1ivx n GLU 146 Ca 0.11 0.44 0.05 0.00 0.00 0.00 0.00 57.16 57.76 1ivx n GLU 146 Cb 0.55 -1.86 0.05 0.00 0.00 0.00 0.00 31.44 30.17 1ivx n GLU 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1ivx h GLU 147 N 0.00 0.00 -6.07 3.44 5.08 -1.34 -3.44 114.58 112.26 1ivx h GLU 147 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1ivx h GLU 147 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ivx h GLU 147 CO 0.00 0.31 1.38 0.54 -1.00 0.00 0.00 179.01 180.24 1ivx n ARG 148 N -3.12 1.81 0.00 2.33 1.74 -1.06 -0.49 116.66 117.86 1ivx n ARG 148 Ca 0.01 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1ivx n ARG 148 Cb 0.68 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.25 1ivx n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ivx n GLY 149 N 5.64 0.74 3.82 -0.13 0.00 -1.26 -4.93 105.19 109.07 1ivx n GLY 149 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 1ivx n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ivx s ARG 150 N -0.93 3.00 -0.65 1.61 0.52 0.35 -4.81 118.95 118.04 1ivx s ARG 150 Ca 0.00 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.27 1ivx s ARG 150 Cb 0.00 -2.74 0.11 0.00 0.52 0.00 0.00 34.95 32.84 1ivx s ARG 150 CO 0.00 0.52 0.79 1.03 0.02 0.00 0.00 175.30 177.66 1ivx s ARG 151 N -2.87 3.14 0.01 3.54 0.52 -1.26 -4.99 118.95 117.04 1ivx s ARG 151 Ca 0.31 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 1ivx s ARG 151 Cb -0.11 -4.33 -0.04 0.00 0.52 0.00 0.00 34.95 30.99 1ivx s ARG 151 CO 0.24 -1.60 0.07 0.42 0.02 0.00 0.00 175.30 174.45 1ivx s ILE 152 N 2.76 4.59 -0.03 1.52 -1.09 -1.26 -1.48 121.20 126.21 1ivx s ILE 152 Ca 0.16 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 1ivx s ILE 152 Cb -0.20 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1ivx s ILE 152 CO 0.04 0.33 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.25 1ivx s LEU 153 N -1.78 1.62 0.09 2.97 1.43 -0.26 -3.61 118.68 119.13 1ivx s LEU 153 Ca 0.23 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1ivx s LEU 153 Cb -0.12 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 1ivx s LEU 153 CO 0.14 0.02 0.32 -0.13 0.23 0.00 0.00 176.35 176.93 1ivx s ARG 154 N 0.49 3.60 -0.03 1.70 0.52 0.11 -0.37 118.95 124.96 1ivx s ARG 154 Ca -0.07 -0.11 0.07 0.00 -0.52 0.00 0.00 55.73 55.09 1ivx s ARG 154 Cb -0.11 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 1ivx s ARG 154 CO 0.01 0.55 -0.24 0.20 0.02 0.00 0.00 175.30 175.84 1ivx s GLY 155 N -2.17 1.19 -0.05 -3.53 0.00 0.22 -0.81 107.32 102.16 1ivx s GLY 155 Ca 0.36 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 44.11 1ivx s GLY 155 CO 0.22 -0.76 -0.19 1.08 0.00 0.00 0.00 173.10 173.46 1ivx s LEU 156 N -0.40 1.93 0.08 0.66 1.43 -0.99 -2.28 118.68 119.12 1ivx s LEU 156 Ca 0.04 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1ivx s LEU 156 Cb -0.11 -1.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 1ivx s LEU 156 CO 0.01 0.16 0.40 0.00 0.23 0.00 0.00 176.35 177.15 1ivx s ALA 157 N 0.09 3.72 -0.04 4.21 0.00 -1.26 -0.30 121.76 128.19 1ivx s ALA 157 Ca -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1ivx s ALA 157 Cb -0.13 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1ivx s ALA 157 CO 0.03 0.56 0.09 -0.06 0.00 0.00 0.00 175.76 176.38 1ivx s PHE 158 N -1.40 -0.07 0.07 0.00 0.08 0.02 -1.11 117.98 115.57 1ivx s PHE 158 Ca 0.33 0.28 -0.23 0.00 0.12 0.00 0.00 56.93 57.43 1ivx s PHE 158 Cb -0.14 -0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.15 1ivx s PHE 158 CO 0.18 -0.10 0.71 0.08 -0.10 0.00 0.00 175.22 175.98 1ivx s VAL 159 N 0.81 4.67 -0.38 -0.44 1.01 -0.09 -0.08 120.40 125.90 1ivx s VAL 159 Ca -0.06 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.46 1ivx s VAL 159 Cb -0.09 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.35 1ivx s VAL 159 CO -0.03 0.44 0.11 -1.58 0.00 0.00 0.00 175.10 174.04 1ivx s GLN 160 N -0.52 1.49 0.58 2.72 0.74 0.22 -4.18 119.66 120.71 1ivx s GLN 160 Ca 0.35 -1.96 0.27 0.00 0.05 0.00 0.00 55.36 54.08 1ivx s GLN 160 Cb -0.21 -3.04 1.64 0.00 1.10 0.00 0.00 33.01 32.51 1ivx s GLN 160 CO 0.22 -1.00 2.15 -0.44 -0.55 0.00 0.00 175.29 175.67 1ivx h ASP 161 N 7.37 0.00 -4.98 6.67 3.32 -1.90 -3.45 116.42 123.46 1ivx h ASP 161 Ca -0.06 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ivx h ASP 161 Cb 0.99 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.43 1ivx h ASP 161 CO 0.55 0.00 0.27 0.72 -1.72 0.00 0.00 179.24 179.06 1ivx s PHE 162 N -4.72 -0.40 0.23 4.55 -0.71 -1.26 -5.04 117.98 110.63 1ivx s PHE 162 Ca -0.05 0.12 -0.17 0.00 -1.04 0.00 0.00 56.93 55.79 1ivx s PHE 162 Cb 0.16 0.60 0.24 0.00 -1.21 0.00 0.00 43.02 42.81 1ivx s PHE 162 CO 0.58 -0.92 1.52 -2.30 -1.34 0.00 0.00 175.22 172.76 1ivx n PRO 163 N -0.39 -0.23 -0.47 1.99 -0.02 -1.26 -0.96 135.00 133.66 1ivx n PRO 163 Ca -0.12 1.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.88 1ivx n PRO 163 Cb 0.63 -2.24 0.18 0.00 -0.02 0.00 0.00 33.50 32.06 1ivx n PRO 163 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ivx n GLU 164 N -5.44 2.73 -3.33 -0.52 4.71 -1.26 -4.92 120.64 112.61 1ivx n GLU 164 Ca 0.10 -1.55 -0.35 0.00 -0.01 0.00 0.00 57.16 55.35 1ivx n GLU 164 Cb 0.39 -1.84 -0.06 0.00 -1.01 0.00 0.00 31.44 28.93 1ivx n GLU 164 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ivx s ASP 165 N -0.34 6.85 -0.53 1.62 2.15 -0.13 -4.99 116.67 121.30 1ivx s ASP 165 Ca 0.27 1.11 -0.22 0.00 0.43 0.00 0.00 52.55 54.15 1ivx s ASP 165 Cb 0.21 -2.30 0.05 0.00 -0.30 0.00 0.00 42.92 40.57 1ivx s ASP 165 CO 0.07 0.10 0.80 -0.55 -0.17 0.00 0.00 175.17 175.43 1ivx s SER 166 N -1.70 6.30 0.51 -0.34 0.15 -1.26 -4.88 113.70 112.48 1ivx s SER 166 Ca 0.38 -0.56 0.24 0.00 0.70 0.00 0.00 55.95 56.71 1ivx s SER 166 Cb -0.15 -2.37 1.38 0.00 -1.71 0.00 0.00 66.02 63.16 1ivx s SER 166 CO 0.19 -1.07 2.08 0.00 1.20 0.00 0.00 173.24 175.64 1ivx h ALA 167 N 9.16 1.45 -0.16 5.45 0.00 -1.93 -2.90 119.26 130.33 1ivx h ALA 167 Ca -0.27 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1ivx h ALA 167 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1ivx h ALA 167 CO 1.03 0.15 0.20 -1.49 0.00 0.00 0.00 179.25 179.13 1ivx h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.91 0.12 115.95 118.23 1ivx h TRP 168 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ivx h TRP 168 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1ivx h TRP 168 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1ivx n ALA 169 N -2.30 1.86 -2.92 1.49 0.00 -1.09 -4.05 120.51 113.49 1ivx n ALA 169 Ca 0.01 0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.24 1ivx n ALA 169 Cb 0.31 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1ivx n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ivx n HIS 170 N -2.19 3.50 -2.14 0.00 8.25 0.43 -4.48 115.22 118.58 1ivx n HIS 170 Ca 0.03 -3.87 -0.37 0.00 -0.26 0.00 0.00 57.72 53.25 1ivx n HIS 170 Cb 0.29 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1ivx n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1ivx s PRO 171 N -3.36 3.57 -0.62 -0.41 0.04 -1.26 -0.91 135.00 132.06 1ivx s PRO 171 Ca 0.47 1.88 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 1ivx s PRO 171 Cb 0.30 -2.34 0.16 0.00 0.04 0.00 0.00 34.50 32.66 1ivx s PRO 171 CO -0.14 -0.73 0.48 0.08 0.04 0.00 0.00 177.00 176.73 1ivx s VAL 172 N -1.50 4.24 0.64 -0.36 1.01 -0.26 -4.38 120.40 119.79 1ivx s VAL 172 Ca 0.66 -2.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.02 1ivx s VAL 172 Cb -0.31 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1ivx s VAL 172 CO 0.37 -0.88 1.04 -0.62 0.00 0.00 0.00 175.10 175.02 1ivx s ASP 173 N 1.58 6.02 0.00 3.32 -1.08 -1.26 -3.92 116.67 121.33 1ivx s ASP 173 Ca 0.14 1.46 0.00 0.00 -0.52 0.00 0.00 52.55 53.63 1ivx s ASP 173 Cb -0.20 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1ivx s ASP 173 CO -0.04 -1.01 0.00 0.61 0.52 0.00 0.00 175.17 175.25 1ivx n GLY 174 N -2.58 0.83 2.94 2.66 0.00 -1.26 -4.09 105.19 103.69 1ivx n GLY 174 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1ivx n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ivx s LEU 175 N 0.00 1.69 -0.18 0.99 2.96 -1.25 0.97 118.68 123.86 1ivx s LEU 175 Ca 0.00 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 1ivx s LEU 175 Cb 0.00 -0.39 0.05 0.00 0.50 0.00 0.00 46.19 46.35 1ivx s LEU 175 CO 0.00 0.02 0.51 0.54 -1.32 0.00 0.00 176.35 176.10 1ivx s VAL 176 N 0.34 0.00 0.06 1.68 0.11 -0.36 -4.58 120.40 117.65 1ivx s VAL 176 Ca -0.04 -0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.05 1ivx s VAL 176 Cb -0.08 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1ivx s VAL 176 CO -0.00 -0.01 -0.17 0.00 -3.33 0.00 0.00 175.10 171.58 1ivx s ALA 177 N 0.13 1.46 -0.08 1.54 0.00 -0.96 0.23 121.76 124.07 1ivx s ALA 177 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1ivx s ALA 177 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1ivx s ALA 177 CO 0.01 0.29 -0.10 0.71 0.00 0.00 0.00 175.76 176.67 1ivx s TYR 178 N -0.94 2.84 -0.03 0.00 2.02 0.13 0.70 117.35 122.07 1ivx s TYR 178 Ca 0.04 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1ivx s TYR 178 Cb -0.09 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1ivx s TYR 178 CO 0.02 0.13 -0.11 0.08 -1.57 0.00 0.00 175.55 174.11 1ivx s VAL 179 N -0.41 0.92 -0.39 0.71 1.01 0.50 -1.65 120.40 121.09 1ivx s VAL 179 Ca 0.05 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 1ivx s VAL 179 Cb -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1ivx s VAL 179 CO 0.02 0.28 0.64 -0.62 0.00 0.00 0.00 175.10 175.42 1ivx s ASP 180 N 0.18 6.39 0.00 3.32 -1.08 0.29 -1.10 116.67 124.66 1ivx s ASP 180 Ca -0.04 -0.03 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 1ivx s ASP 180 Cb -0.09 -2.32 1.59 0.00 -1.46 0.00 0.00 42.92 40.63 1ivx s ASP 180 CO 0.01 -0.66 2.06 1.33 0.52 0.00 0.00 175.17 178.43 1ivx n VAL 181 N 5.68 0.00 -0.12 1.11 0.24 -0.55 -0.89 118.33 123.81 1ivx n VAL 181 Ca -0.01 -0.05 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 1ivx n VAL 181 Cb 0.48 -0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.51 1ivx n VAL 181 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1ivx n VAL 182 N -0.86 1.51 0.96 3.34 0.31 -1.26 -4.35 118.33 117.98 1ivx n VAL 182 Ca 0.20 -0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.52 1ivx n VAL 182 Cb 0.20 -2.08 0.60 0.00 -0.91 0.00 0.00 33.84 31.65 1ivx n VAL 182 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ivx n SER 183 N -4.36 0.00 -3.51 4.52 3.41 -1.25 -4.94 113.62 107.50 1ivx n SER 183 Ca -0.36 0.50 -0.18 0.00 -0.26 0.00 0.00 58.87 58.56 1ivx n SER 183 Cb 0.71 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 64.23 1ivx n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ivx n LYS 184 N -1.50 -5.71 -4.69 4.33 5.02 -0.07 -5.01 118.16 110.53 1ivx n LYS 184 Ca 0.07 0.77 -0.26 0.00 -2.02 0.00 0.00 58.31 56.87 1ivx n LYS 184 Cb 0.33 -5.62 -0.14 0.00 -0.02 0.00 0.00 35.03 29.57 1ivx n LYS 184 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ivx s GLU 185 N -5.50 1.46 -0.50 1.97 2.02 -0.86 -4.97 118.70 112.33 1ivx s GLU 185 Ca 0.04 -0.97 -0.23 0.00 0.02 0.00 0.00 54.97 53.84 1ivx s GLU 185 Cb -0.01 -1.58 0.04 0.00 0.10 0.00 0.00 34.13 32.68 1ivx s GLU 185 CO 0.76 0.41 0.81 0.08 0.02 0.00 0.00 175.26 177.33 1ivx s VAL 186 N -0.80 4.60 -0.10 2.63 1.01 -1.26 -0.55 120.40 125.93 1ivx s VAL 186 Ca 0.08 0.16 0.16 0.00 0.00 0.00 0.00 61.98 62.38 1ivx s VAL 186 Cb -0.09 -4.40 0.08 0.00 0.00 0.00 0.00 36.38 31.97 1ivx s VAL 186 CO 0.02 -0.89 1.50 0.71 0.00 0.00 0.00 175.10 176.43 1ivx h THR 187 N 5.97 0.86 -1.89 3.92 1.35 -1.67 -3.48 112.91 117.97 1ivx h THR 187 Ca -0.26 -2.10 -0.02 0.00 -0.55 0.00 0.00 66.41 63.48 1ivx h THR 187 Cb 1.08 2.34 -0.20 0.00 -1.73 0.00 0.00 68.15 69.64 1ivx h THR 187 CO 1.01 0.47 0.27 -0.13 -0.25 0.00 0.00 175.52 176.89 1ivx s ARG 188 N -3.06 0.91 -0.07 4.72 0.52 -1.14 -4.97 118.95 115.84 1ivx s ARG 188 Ca 0.03 0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 55.57 1ivx s ARG 188 Cb 0.08 0.43 0.04 0.00 0.52 0.00 0.00 34.95 36.02 1ivx s ARG 188 CO 0.73 -0.26 0.06 0.08 0.02 0.00 0.00 175.30 175.94 1ivx s VAL 189 N -0.88 -0.08 -0.16 3.52 1.01 -1.26 -0.69 120.40 121.86 1ivx s VAL 189 Ca -0.07 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1ivx s VAL 189 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1ivx s VAL 189 CO 0.06 0.07 -0.11 -0.63 0.00 0.00 0.00 175.10 174.49 1ivx s ILE 190 N 2.15 3.14 -0.29 2.22 1.01 0.13 -4.99 121.20 124.57 1ivx s ILE 190 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1ivx s ILE 190 Cb -0.13 -2.35 0.08 0.00 0.01 0.00 0.00 42.46 40.07 1ivx s ILE 190 CO -0.05 0.50 0.02 -0.62 0.00 0.00 0.00 174.94 174.80 1ivx s ASP 191 N 0.66 4.21 0.10 3.58 -1.08 -1.25 -1.22 116.67 121.67 1ivx s ASP 191 Ca -0.06 -1.63 0.27 0.00 -0.52 0.00 0.00 52.55 50.61 1ivx s ASP 191 Cb -0.15 -1.24 0.90 0.00 -1.46 0.00 0.00 42.92 40.97 1ivx s ASP 191 CO 0.02 -0.33 1.76 0.35 0.52 0.00 0.00 175.17 177.49 1ivx n THR 192 N 4.58 0.28 0.00 1.71 -2.24 0.27 -4.99 114.28 113.90 1ivx n THR 192 Ca -0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1ivx n THR 192 Cb 0.43 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ivx n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 193 N 1.40 4.44 3.81 3.38 0.00 -1.24 -5.04 105.19 111.94 1ivx n GLY 193 Ca 0.06 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1ivx n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ivx s VAL 194 N -2.00 4.25 0.01 1.61 0.11 -1.26 -4.10 120.40 119.02 1ivx s VAL 194 Ca 0.00 1.45 0.01 0.00 -2.93 0.00 0.00 61.98 60.52 1ivx s VAL 194 Cb 0.00 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 1ivx s VAL 194 CO 0.00 -0.25 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.11 1ivx s PHE 195 N -2.08 0.44 0.47 1.54 0.40 -1.26 -4.98 117.98 112.51 1ivx s PHE 195 Ca 0.62 -0.22 -0.25 0.00 -0.60 0.00 0.00 56.93 56.48 1ivx s PHE 195 Cb -0.11 -0.28 -0.08 0.00 0.51 0.00 0.00 43.02 43.06 1ivx s PHE 195 CO 0.16 -0.04 1.42 -2.14 0.70 0.00 0.00 175.22 175.32 1ivx s PRO 196 N -0.59 3.56 -0.30 0.24 0.02 -1.26 -4.75 135.00 131.92 1ivx s PRO 196 Ca -0.03 2.40 -0.20 0.00 0.02 0.00 0.00 61.00 63.20 1ivx s PRO 196 Cb -0.04 -2.57 -0.01 0.00 0.02 0.00 0.00 34.50 31.89 1ivx s PRO 196 CO -0.00 -0.91 0.61 0.08 -0.33 0.00 0.00 177.00 176.45 1ivx s VAL 197 N -1.22 4.96 -0.11 3.83 1.01 -1.26 -4.84 120.40 122.77 1ivx s VAL 197 Ca 0.63 0.85 -0.40 0.00 0.00 0.00 0.00 61.98 63.07 1ivx s VAL 197 Cb -0.44 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 31.79 1ivx s VAL 197 CO 0.55 -0.11 1.40 -2.65 0.00 0.00 0.00 175.10 174.29 1ivx n PRO 198 N 5.83 0.68 0.00 2.72 -0.02 -1.26 -4.89 135.00 138.06 1ivx n PRO 198 Ca -0.01 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1ivx n PRO 198 Cb 0.49 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 32.01 1ivx n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ivx h ALA 199 N 4.82 0.70 -2.81 3.55 0.00 -1.83 -3.39 119.26 120.29 1ivx h ALA 199 Ca -0.48 -1.26 -0.53 0.00 0.00 0.00 0.00 54.91 52.64 1ivx h ALA 199 Cb 1.36 0.36 0.06 0.00 0.00 0.00 0.00 17.79 19.57 1ivx h ALA 199 CO 0.82 1.40 0.72 -2.00 0.00 0.00 0.00 179.25 180.18 1ivx s GLU 200 N -2.68 4.28 0.58 0.00 2.12 -1.26 -5.00 118.70 116.74 1ivx s GLU 200 Ca -0.03 2.30 -0.09 0.00 0.36 0.00 0.00 54.97 57.50 1ivx s GLU 200 Cb 0.08 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 1ivx s GLU 200 CO 0.82 -0.35 0.95 -3.38 -0.54 0.00 0.00 175.26 172.76 1ivx s HIS 201 N -0.53 3.58 -0.29 5.30 -3.43 -1.26 -4.77 115.29 113.89 1ivx s HIS 201 Ca 0.55 1.10 0.11 0.00 -0.80 0.00 0.00 55.06 56.02 1ivx s HIS 201 Cb -0.41 -2.60 0.47 0.00 -1.43 0.00 0.00 32.58 28.61 1ivx s HIS 201 CO 0.49 -0.58 1.16 0.41 -2.00 0.00 0.00 174.74 174.21 1ivx n GLY 202 N -2.59 5.00 3.54 -1.38 0.00 -1.26 -4.98 105.19 103.51 1ivx n GLY 202 Ca 0.04 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 1ivx n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ivx s ASN 203 N -3.64 6.57 0.00 1.61 0.02 -1.26 -4.80 114.94 113.44 1ivx s ASN 203 Ca 0.44 -1.70 0.05 0.00 -1.02 0.00 0.00 52.86 50.63 1ivx s ASN 203 Cb 0.39 -2.54 0.26 0.00 0.02 0.00 0.00 41.25 39.38 1ivx s ASN 203 CO 0.00 -1.38 1.05 0.00 0.02 0.00 0.00 177.10 176.80 1ivx n TYR 204 N 8.34 0.00 0.80 2.20 0.18 -1.26 -0.92 117.16 126.50 1ivx n TYR 204 Ca 0.33 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.20 1ivx n TYR 204 Cb 0.50 -0.33 -0.04 0.00 -0.38 0.00 0.00 39.34 39.09 1ivx n TYR 204 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1ivx n THR 205 N -1.33 0.00 -2.73 -3.48 -1.04 -1.26 -4.71 114.28 99.73 1ivx n THR 205 Ca 0.02 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 1ivx n THR 205 Cb 0.05 1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 69.66 1ivx n THR 205 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ivx s ASP 206 N -2.27 6.89 0.66 8.00 2.15 -0.09 -4.90 116.67 127.11 1ivx s ASP 206 Ca 0.12 1.02 0.32 0.00 0.43 0.00 0.00 52.55 54.43 1ivx s ASP 206 Cb 0.14 -2.51 1.75 0.00 -0.30 0.00 0.00 42.92 42.00 1ivx s ASP 206 CO 0.54 -0.76 1.99 1.55 -0.17 0.00 0.00 175.17 178.32 1ivx h PRO 207 N 7.96 0.00 -0.04 4.34 0.13 -1.87 0.75 132.00 143.28 1ivx h PRO 207 Ca -0.21 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.78 1ivx h PRO 207 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1ivx h PRO 207 CO 0.98 0.00 -0.62 1.49 -0.23 0.00 0.00 178.00 179.62 1ivx h GLU 208 N 0.00 0.13 0.00 0.86 4.81 -1.90 0.12 114.58 118.60 1ivx h GLU 208 Ca 0.01 -0.09 -0.19 0.00 -0.13 0.00 0.00 59.36 58.96 1ivx h GLU 208 Cb 0.58 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1ivx h GLU 208 CO -0.00 0.71 -1.10 1.25 -0.73 0.00 0.00 179.01 179.14 1ivx h LEU 209 N 0.10 0.00 -0.60 1.64 5.85 0.12 -3.39 115.31 119.02 1ivx h LEU 209 Ca -0.01 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 1ivx h LEU 209 Cb 1.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1ivx h LEU 209 CO 0.09 1.37 0.01 0.71 -0.34 0.00 0.00 178.44 180.27 1ivx h THR 210 N -1.00 1.27 0.00 1.05 1.35 -1.04 -3.49 112.91 111.04 1ivx h THR 210 Ca -0.29 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1ivx h THR 210 Cb 1.18 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1ivx h THR 210 CO -0.17 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1ivx n GLY 211 N -0.42 -1.92 3.76 5.82 0.00 0.42 -4.84 105.19 108.01 1ivx n GLY 211 Ca 0.03 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1ivx n GLY 211 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ivx s PRO 212 N 0.00 4.40 0.38 1.61 0.02 -1.26 -4.79 135.00 135.37 1ivx s PRO 212 Ca 0.00 2.14 -0.25 0.00 0.02 0.00 0.00 61.00 62.91 1ivx s PRO 212 Cb 0.00 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 1ivx s PRO 212 CO 0.00 -0.14 1.07 -0.51 -0.33 0.00 0.00 177.00 177.09 1ivx s LEU 213 N -1.55 4.20 0.29 -5.54 1.43 -1.26 -4.96 118.68 111.28 1ivx s LEU 213 Ca 0.49 2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 55.39 1ivx s LEU 213 Cb -0.38 -4.10 -0.13 0.00 0.03 0.00 0.00 46.19 41.61 1ivx s LEU 213 CO 0.49 -0.47 1.29 0.54 0.23 0.00 0.00 176.35 178.43 1ivx n ARG 214 N 0.10 1.94 -0.03 1.70 1.74 -1.26 -4.91 116.66 115.95 1ivx n ARG 214 Ca 0.04 0.69 0.07 0.00 -0.77 0.00 0.00 57.85 57.88 1ivx n ARG 214 Cb 0.49 -2.26 0.07 0.00 -1.02 0.00 0.00 32.46 29.74 1ivx n ARG 214 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ivx n THR 215 N 0.94 0.12 0.13 0.55 -2.24 -1.26 -4.64 114.28 107.88 1ivx n THR 215 Ca 0.08 -0.56 -0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1ivx n THR 215 Cb 0.33 1.19 0.11 0.00 -2.10 0.00 0.00 70.33 69.87 1ivx n THR 215 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ivx h THR 216 N 2.71 1.24 -2.95 4.28 1.35 -2.03 -3.45 112.91 114.05 1ivx h THR 216 Ca 0.00 -2.31 -0.57 0.00 -0.55 0.00 0.00 66.41 62.99 1ivx h THR 216 Cb 0.61 2.32 -0.04 0.00 -1.73 0.00 0.00 68.15 69.31 1ivx h THR 216 CO 0.00 0.61 1.07 -1.10 -0.25 0.00 0.00 175.52 175.85 1ivx s GLN 217 N -3.25 3.79 0.20 4.72 -0.21 -1.26 -5.00 119.66 118.65 1ivx s GLN 217 Ca 0.01 1.42 -0.12 0.00 0.02 0.00 0.00 55.36 56.69 1ivx s GLN 217 Cb 0.10 -3.99 -0.07 0.00 1.00 0.00 0.00 33.01 30.06 1ivx s GLN 217 CO 0.75 -1.29 0.57 0.15 -2.12 0.00 0.00 175.29 173.35 1ivx s LYS 218 N 4.57 3.90 0.67 2.91 3.01 -1.26 -5.05 119.74 128.49 1ivx s LYS 218 Ca 0.65 0.41 -0.16 0.00 -1.01 0.00 0.00 55.97 55.86 1ivx s LYS 218 Cb -0.21 -2.75 0.01 0.00 -1.01 0.00 0.00 37.83 33.87 1ivx s LYS 218 CO 0.28 0.37 1.18 -1.25 0.51 0.00 0.00 175.35 176.44 1ivx s PRO 219 N -2.45 2.53 -0.16 -1.68 0.04 -1.26 -5.04 135.00 126.98 1ivx s PRO 219 Ca 0.44 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 1ivx s PRO 219 Cb -0.13 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1ivx s PRO 219 CO 0.20 -1.52 -0.03 0.42 0.04 0.00 0.00 177.00 176.11 1ivx s ILE 220 N -1.95 0.97 -0.20 0.56 1.01 -1.26 -5.13 121.20 115.20 1ivx s ILE 220 Ca 0.74 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 60.72 1ivx s ILE 220 Cb -0.27 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1ivx s ILE 220 CO 0.41 0.08 0.11 -0.44 0.00 0.00 0.00 174.94 175.09 1ivx s SER 221 N 1.69 5.93 -0.33 3.58 0.01 -1.26 -5.06 113.70 118.26 1ivx s SER 221 Ca 0.00 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1ivx s SER 221 Cb -0.15 -2.04 0.08 0.00 0.21 0.00 0.00 66.02 64.12 1ivx s SER 221 CO -0.07 0.15 0.03 -0.63 0.41 0.00 0.00 173.24 173.13 1ivx s ILE 222 N 0.52 2.58 0.35 1.44 1.01 -1.26 -5.10 121.20 120.73 1ivx s ILE 222 Ca 0.06 -1.95 0.09 0.00 0.00 0.00 0.00 60.65 58.84 1ivx s ILE 222 Cb -0.12 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1ivx s ILE 222 CO 0.00 -0.40 0.02 -0.89 0.00 0.00 0.00 174.94 173.67 1ivx s THR 223 N 1.06 2.59 -0.38 2.92 2.01 -1.26 -3.85 115.64 118.73 1ivx s THR 223 Ca 0.03 -1.96 0.02 0.00 0.31 0.00 0.00 61.69 60.09 1ivx s THR 223 Cb -0.20 -2.81 0.15 0.00 0.01 0.00 0.00 72.50 69.65 1ivx s THR 223 CO -0.05 -0.18 0.33 -1.10 -0.69 0.00 0.00 174.62 172.92 1ivx s GLN 224 N -3.73 0.68 0.50 4.92 -0.21 -1.26 -4.91 119.66 115.65 1ivx s GLN 224 Ca 0.35 -1.29 0.29 0.00 0.02 0.00 0.00 55.36 54.73 1ivx s GLN 224 Cb 0.00 -1.02 1.38 0.00 1.00 0.00 0.00 33.01 34.37 1ivx s GLN 224 CO 0.19 -1.25 1.84 -1.35 -2.12 0.00 0.00 175.29 172.61 1ivx h PRO 225 N 6.64 0.12 -0.29 2.91 0.11 -2.03 -0.21 132.00 139.25 1ivx h PRO 225 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1ivx h PRO 225 Cb 1.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ivx h PRO 225 CO 0.24 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.50 1ivx n GLU 226 N -4.34 2.89 0.00 1.05 1.02 -1.26 -5.09 120.64 114.91 1ivx n GLU 226 Ca 0.22 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.89 1ivx n GLU 226 Cb 0.99 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1ivx n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ivx n GLY 227 N -0.08 -2.63 3.86 0.62 0.00 -0.09 -4.96 105.19 101.91 1ivx n GLY 227 Ca 0.17 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1ivx n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ivx s PRO 228 N -0.85 2.69 0.00 1.61 0.04 -1.26 -4.85 135.00 132.38 1ivx s PRO 228 Ca 0.00 0.53 0.26 0.00 0.04 0.00 0.00 61.00 61.83 1ivx s PRO 228 Cb 0.00 -2.00 0.75 0.00 0.04 0.00 0.00 34.50 33.29 1ivx s PRO 228 CO 0.00 -1.17 1.56 0.43 0.04 0.00 0.00 177.00 177.86 1ivx n SER 229 N -3.11 0.90 -4.94 6.66 7.64 -1.26 -4.88 113.62 114.63 1ivx n SER 229 Ca 0.07 -0.76 -0.27 0.00 1.01 0.00 0.00 58.87 58.92 1ivx n SER 229 Cb 0.57 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 1ivx n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1ivx s PHE 230 N -2.59 3.49 -0.04 1.43 -0.12 -1.26 -4.62 117.98 114.27 1ivx s PHE 230 Ca 0.22 0.17 0.06 0.00 -0.05 0.00 0.00 56.93 57.33 1ivx s PHE 230 Cb 0.19 -1.71 -0.02 0.00 -0.63 0.00 0.00 43.02 40.86 1ivx s PHE 230 CO 0.55 0.51 -0.22 0.95 -0.05 0.00 0.00 175.22 176.95 1ivx s THR 231 N -1.72 2.32 -0.25 -4.49 -4.23 -0.62 -4.97 115.64 101.70 1ivx s THR 231 Ca 0.35 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.81 1ivx s THR 231 Cb -0.11 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 1ivx s THR 231 CO 0.28 0.58 0.03 -0.69 -0.54 0.00 0.00 174.62 174.29 1ivx s VAL 232 N -0.45 3.96 0.04 2.29 1.01 -1.26 -2.23 120.40 123.77 1ivx s VAL 232 Ca 0.05 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1ivx s VAL 232 Cb -0.12 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1ivx s VAL 232 CO 0.01 0.33 -0.14 -0.89 0.00 0.00 0.00 175.10 174.41 1ivx s THR 233 N 1.56 1.12 -1.54 3.92 2.01 0.73 -4.76 115.64 118.67 1ivx s THR 233 Ca 0.06 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1ivx s THR 233 Cb -0.15 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1ivx s THR 233 CO 0.01 -0.02 0.44 0.61 -0.69 0.00 0.00 174.62 174.97 1ivx n GLY 234 N 1.83 -0.51 4.40 4.40 0.00 -1.26 -0.13 105.19 113.92 1ivx n GLY 234 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ivx n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ivx n GLY 235 N -1.34 1.67 0.48 -0.02 0.00 -1.26 -4.34 105.19 100.38 1ivx n GLY 235 Ca -0.13 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1ivx n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ivx n ASN 236 N 2.92 0.37 -4.58 1.61 6.94 -1.18 -5.02 115.26 116.33 1ivx n ASN 236 Ca 0.00 -2.16 -0.39 0.00 -0.02 0.00 0.00 54.58 52.00 1ivx n ASN 236 Cb 0.00 -0.24 -0.10 0.00 -2.36 0.00 0.00 39.78 37.08 1ivx n ASN 236 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1ivx s HIS 237 N -0.42 3.23 -0.02 -2.53 2.46 0.81 -0.47 115.29 118.35 1ivx s HIS 237 Ca 0.06 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.74 1ivx s HIS 237 Cb 0.06 -2.55 -0.04 0.00 -0.13 0.00 0.00 32.58 29.92 1ivx s HIS 237 CO -0.00 -0.29 0.03 0.42 -2.47 0.00 0.00 174.74 172.42 1ivx s ILE 238 N 1.96 4.38 -0.10 0.89 1.09 0.74 -0.19 121.20 129.95 1ivx s ILE 238 Ca 0.11 -0.46 -0.02 0.00 -1.10 0.00 0.00 60.65 59.18 1ivx s ILE 238 Cb -0.16 -2.95 0.04 0.00 -1.06 0.00 0.00 42.46 38.33 1ivx s ILE 238 CO 0.11 0.42 0.02 -1.61 -0.10 0.00 0.00 174.94 173.77 1ivx s GLU 239 N -1.47 0.53 -0.14 2.79 2.02 -0.95 -1.61 118.70 119.88 1ivx s GLU 239 Ca 0.19 -0.01 -0.06 0.00 0.02 0.00 0.00 54.97 55.12 1ivx s GLU 239 Cb -0.12 -1.27 0.06 0.00 0.10 0.00 0.00 34.13 32.91 1ivx s GLU 239 CO 0.10 -0.41 0.30 -0.46 0.02 0.00 0.00 175.26 174.80 1ivx s TRP 240 N 1.97 -0.47 -1.51 1.61 -0.00 -0.57 -1.58 118.94 118.39 1ivx s TRP 240 Ca 0.03 1.03 -0.04 0.00 -0.00 0.00 0.00 56.10 57.13 1ivx s TRP 240 Cb -0.14 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.41 1ivx s TRP 240 CO -0.06 -0.33 0.07 0.39 -0.00 0.00 0.00 176.95 177.02 1ivx n GLU 241 N 4.86 -0.87 0.00 5.86 -0.58 -1.26 0.07 120.64 128.72 1ivx n GLU 241 Ca -0.15 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1ivx n GLU 241 Cb 0.51 -3.45 0.00 0.00 -0.57 0.00 0.00 31.44 27.93 1ivx n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ivx n LYS 242 N -4.63 0.00 -2.67 3.49 5.02 -1.26 -4.92 118.16 113.19 1ivx n LYS 242 Ca -0.31 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.64 1ivx n LYS 242 Cb 0.68 -0.76 -0.05 0.00 -0.02 0.00 0.00 35.03 34.88 1ivx n LYS 242 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ivx s TRP 243 N -1.98 3.21 -0.05 2.13 0.52 0.11 0.16 118.94 123.05 1ivx s TRP 243 Ca 0.00 1.62 -0.03 0.00 0.02 0.00 0.00 56.10 57.71 1ivx s TRP 243 Cb 0.00 -2.98 0.02 0.00 -1.15 0.00 0.00 33.47 29.36 1ivx s TRP 243 CO 0.00 -0.43 0.11 0.45 0.02 0.00 0.00 176.95 177.09 1ivx s SER 244 N -1.97 -0.09 0.03 2.95 0.15 0.27 -1.51 113.70 113.54 1ivx s SER 244 Ca 0.63 0.22 -0.29 0.00 0.70 0.00 0.00 55.95 57.21 1ivx s SER 244 Cb -0.14 0.17 0.10 0.00 -1.71 0.00 0.00 66.02 64.43 1ivx s SER 244 CO 0.18 -0.09 1.14 -1.48 1.20 0.00 0.00 173.24 174.19 1ivx s LEU 245 N 0.58 -0.13 -0.14 3.45 2.34 -0.63 -1.26 118.68 122.89 1ivx s LEU 245 Ca -0.04 -0.22 0.01 0.00 0.06 0.00 0.00 54.13 53.93 1ivx s LEU 245 Cb -0.06 1.71 -0.01 0.00 -0.56 0.00 0.00 46.19 47.28 1ivx s LEU 245 CO -0.02 -0.54 -0.16 -1.81 -1.06 0.00 0.00 176.35 172.76 1ivx s ASP 246 N -2.87 3.69 -0.57 1.48 1.01 -0.48 -0.19 116.67 118.74 1ivx s ASP 246 Ca 0.12 -0.44 -0.21 0.00 0.71 0.00 0.00 52.55 52.73 1ivx s ASP 246 Cb 0.02 -1.56 0.07 0.00 1.01 0.00 0.00 42.92 42.45 1ivx s ASP 246 CO -0.02 0.11 0.81 -0.69 0.21 0.00 0.00 175.17 175.59 1ivx s VAL 247 N 0.65 4.59 0.55 -1.27 1.01 0.38 -1.57 120.40 124.73 1ivx s VAL 247 Ca -0.08 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1ivx s VAL 247 Cb -0.16 -4.50 0.05 0.00 0.00 0.00 0.00 36.38 31.77 1ivx s VAL 247 CO 0.02 -1.12 0.76 -0.83 0.00 0.00 0.00 175.10 173.93 1ivx s GLY 248 N 3.16 1.84 -0.13 4.51 0.00 0.10 -4.77 107.32 112.03 1ivx s GLY 248 Ca 0.20 -1.59 -0.08 0.00 0.00 0.00 0.00 44.72 43.25 1ivx s GLY 248 CO 0.12 -1.27 0.31 -0.12 0.00 0.00 0.00 173.10 172.15 1ivx s PHE 249 N -2.70 -0.42 0.01 1.90 5.36 -1.26 -1.47 117.98 119.40 1ivx s PHE 249 Ca 0.59 0.96 0.05 0.00 -0.96 0.00 0.00 56.93 57.57 1ivx s PHE 249 Cb -0.09 0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 1ivx s PHE 249 CO 0.38 -0.25 -0.16 0.34 -1.46 0.00 0.00 175.22 174.07 1ivx s ASP 250 N 1.03 1.92 0.41 6.13 2.15 -0.65 -4.88 116.67 122.77 1ivx s ASP 250 Ca -0.07 -0.38 0.12 0.00 0.43 0.00 0.00 52.55 52.65 1ivx s ASP 250 Cb -0.08 -0.18 0.86 0.00 -0.30 0.00 0.00 42.92 43.23 1ivx s ASP 250 CO -0.08 0.14 1.93 1.62 -0.17 0.00 0.00 175.17 178.61 1ivx h VAL 251 N 4.60 1.18 0.00 1.11 3.04 -1.86 0.58 116.25 124.89 1ivx h VAL 251 Ca -0.38 -0.83 -0.02 0.00 -1.01 0.00 0.00 66.70 64.46 1ivx h VAL 251 Cb 1.16 1.38 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1ivx h VAL 251 CO 0.46 0.25 -0.15 -0.09 -1.01 0.00 0.00 177.57 177.03 1ivx h ARG 252 N 0.08 0.00 0.00 4.17 2.43 -1.89 0.28 114.38 119.45 1ivx h ARG 252 Ca 0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1ivx h ARG 252 Cb 0.42 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1ivx h ARG 252 CO 0.03 0.47 -0.70 0.93 -1.51 0.00 0.00 179.97 179.19 1ivx h GLU 253 N -1.00 0.00 0.00 0.20 5.08 -1.84 -3.13 114.58 113.89 1ivx h GLU 253 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ivx h GLU 253 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ivx h GLU 253 CO -0.02 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 1ivx n GLY 254 N 1.27 0.06 3.74 -3.84 0.00 0.19 -4.60 105.19 102.01 1ivx n GLY 254 Ca 0.00 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1ivx n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivx s VAL 255 N 0.00 2.64 0.00 1.61 1.01 -1.26 -1.63 120.40 122.77 1ivx s VAL 255 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.55 1ivx s VAL 255 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1ivx s VAL 255 CO 0.00 0.07 -0.19 -0.69 0.00 0.00 0.00 175.10 174.28 1ivx s VAL 256 N 0.41 1.53 -0.13 2.92 1.01 -0.54 -4.63 120.40 120.96 1ivx s VAL 256 Ca 0.63 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1ivx s VAL 256 Cb -0.43 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1ivx s VAL 256 CO 0.39 0.35 -0.10 -0.76 0.00 0.00 0.00 175.10 174.98 1ivx s LEU 257 N -0.67 2.89 0.13 3.92 1.43 -0.24 -0.72 118.68 125.41 1ivx s LEU 257 Ca 0.07 -0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1ivx s LEU 257 Cb -0.08 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1ivx s LEU 257 CO 0.00 0.17 -0.22 -1.00 0.23 0.00 0.00 176.35 175.53 1ivx s HIS 258 N 0.30 2.42 -1.30 0.29 3.76 -0.61 -0.03 115.29 120.13 1ivx s HIS 258 Ca -0.08 -0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 54.41 1ivx s HIS 258 Cb -0.15 -1.29 -0.00 0.00 1.11 0.00 0.00 32.58 32.25 1ivx s HIS 258 CO 0.05 0.38 0.57 0.09 -0.85 0.00 0.00 174.74 174.98 1ivx n ASN 259 N 0.79 -2.35 -4.67 1.40 3.02 0.27 -1.38 115.26 112.34 1ivx n ASN 259 Ca -0.16 -1.03 -0.43 0.00 -0.03 0.00 0.00 54.58 52.93 1ivx n ASN 259 Cb 0.53 -3.10 -0.02 0.00 -0.61 0.00 0.00 39.78 36.58 1ivx n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ivx s ILE 260 N -3.75 4.23 0.08 2.41 1.01 0.13 -3.92 121.20 121.39 1ivx s ILE 260 Ca 0.20 1.51 -0.07 0.00 0.00 0.00 0.00 60.65 62.29 1ivx s ILE 260 Cb -0.08 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1ivx s ILE 260 CO 0.88 -0.10 0.13 0.00 0.00 0.00 0.00 174.94 175.85 1ivx s ALA 261 N 3.24 -0.02 -0.06 9.38 0.00 -0.39 -0.85 121.76 133.06 1ivx s ALA 261 Ca 0.56 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1ivx s ALA 261 Cb -0.23 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.34 1ivx s ALA 261 CO 0.17 -0.48 -0.16 0.12 0.00 0.00 0.00 175.76 175.41 1ivx s PHE 262 N -3.88 1.71 -0.97 0.00 2.19 0.54 -0.56 117.98 117.02 1ivx s PHE 262 Ca 0.06 -0.60 -0.22 0.00 0.33 0.00 0.00 56.93 56.50 1ivx s PHE 262 Cb 0.06 -1.19 0.07 0.00 -1.31 0.00 0.00 43.02 40.64 1ivx s PHE 262 CO -0.10 -0.26 1.35 1.03 1.83 0.00 0.00 175.22 179.08 1ivx s ARG 263 N 0.38 3.55 -0.88 10.12 0.52 0.12 -0.05 118.95 132.71 1ivx s ARG 263 Ca -0.11 -1.17 -0.19 0.00 -0.52 0.00 0.00 55.73 53.73 1ivx s ARG 263 Cb -0.14 -5.14 0.12 0.00 0.52 0.00 0.00 34.95 30.30 1ivx s ARG 263 CO 0.04 -2.10 1.09 0.34 0.02 0.00 0.00 175.30 174.69 1ivx s ASP 264 N 4.56 6.54 1.29 0.23 2.15 0.47 -4.85 116.67 127.06 1ivx s ASP 264 Ca 0.42 -1.86 0.00 0.00 0.43 0.00 0.00 52.55 51.54 1ivx s ASP 264 Cb -0.02 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1ivx s ASP 264 CO -0.07 -1.13 0.00 0.61 -0.17 0.00 0.00 175.17 174.41 1ivx n GLY 265 N 5.48 2.02 0.03 2.66 0.00 -1.26 -2.37 105.19 111.75 1ivx n GLY 265 Ca 0.19 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1ivx n GLY 265 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ivx n ASP 266 N 10.02 1.03 -4.55 1.61 8.00 -1.26 -4.91 116.55 126.49 1ivx n ASP 266 Ca 0.00 -0.99 -0.35 0.00 0.71 0.00 0.00 54.79 54.16 1ivx n ASP 266 Cb 0.00 0.93 -0.11 0.00 -0.02 0.00 0.00 41.12 41.92 1ivx n ASP 266 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ivx s ARG 267 N -2.97 3.82 -0.52 -1.24 1.70 -1.00 -5.04 118.95 113.71 1ivx s ARG 267 Ca 0.09 -0.41 -0.27 0.00 -0.47 0.00 0.00 55.73 54.66 1ivx s ARG 267 Cb 0.16 -3.23 0.03 0.00 -0.57 0.00 0.00 34.95 31.34 1ivx s ARG 267 CO 0.84 0.09 1.07 -1.17 -1.08 0.00 0.00 175.30 175.05 1ivx s LEU 268 N 0.87 3.75 -0.22 -1.89 2.96 -1.26 -0.39 118.68 122.49 1ivx s LEU 268 Ca 0.03 0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 1ivx s LEU 268 Cb -0.14 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 1ivx s LEU 268 CO 0.02 -1.27 0.25 -0.13 -1.32 0.00 0.00 176.35 173.91 1ivx s ARG 269 N 4.35 4.13 0.52 1.98 0.52 0.93 -4.91 118.95 126.47 1ivx s ARG 269 Ca 0.41 -0.07 -0.20 0.00 -0.52 0.00 0.00 55.73 55.35 1ivx s ARG 269 Cb -0.09 -3.53 -0.07 0.00 0.52 0.00 0.00 34.95 31.79 1ivx s ARG 269 CO 0.26 0.05 1.09 -2.14 0.02 0.00 0.00 175.30 174.58 1ivx s PRO 270 N 1.08 3.56 0.12 3.54 0.02 -1.26 -0.34 135.00 141.72 1ivx s PRO 270 Ca 0.12 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1ivx s PRO 270 Cb -0.14 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1ivx s PRO 270 CO 0.05 -0.66 0.00 -0.89 -0.33 0.00 0.00 177.00 175.18 1ivx n ILE 271 N -1.17 0.61 -4.09 2.83 5.41 -0.03 0.15 119.36 123.07 1ivx n ILE 271 Ca 0.10 0.20 -0.24 0.00 1.00 0.00 0.00 62.75 63.81 1ivx n ILE 271 Cb 0.52 -1.21 -0.17 0.00 -0.71 0.00 0.00 39.64 38.07 1ivx n ILE 271 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1ivx s ILE 272 N -2.00 0.85 -0.02 1.39 1.01 -0.91 -1.45 121.20 120.06 1ivx s ILE 272 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 1ivx s ILE 272 Cb 0.00 -0.86 -0.20 0.00 0.01 0.00 0.00 42.46 41.41 1ivx s ILE 272 CO 0.00 0.32 1.22 -1.13 0.00 0.00 0.00 174.94 175.35 1ivx h ASN 273 N 7.73 -0.05 -3.51 3.58 -0.00 -0.35 0.36 115.58 123.32 1ivx h ASN 273 Ca -0.30 -0.44 -0.24 0.00 -0.00 0.00 0.00 56.30 55.32 1ivx h ASN 273 Cb 1.15 0.01 -0.31 0.00 -0.00 0.00 0.00 38.32 39.17 1ivx h ASN 273 CO 0.41 0.43 -0.61 -0.60 -0.00 0.00 0.00 177.43 177.06 1ivx s ARG 274 N -4.21 0.08 -0.08 6.67 3.52 -1.03 0.94 118.95 124.84 1ivx s ARG 274 Ca -0.15 0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.76 1ivx s ARG 274 Cb 0.02 -0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.29 1ivx s ARG 274 CO 0.64 -0.13 -0.09 0.00 -0.81 0.00 0.00 175.30 174.91 1ivx s ALA 275 N 0.92 1.18 0.19 6.12 0.00 0.96 -0.77 121.76 130.36 1ivx s ALA 275 Ca -0.07 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 1ivx s ALA 275 Cb -0.09 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1ivx s ALA 275 CO -0.04 -0.14 0.46 -1.54 0.00 0.00 0.00 175.76 174.50 1ivx s SER 276 N 1.18 -0.19 -0.55 0.00 1.04 -0.89 -1.08 113.70 113.20 1ivx s SER 276 Ca -0.05 -0.57 -0.19 0.00 0.48 0.00 0.00 55.95 55.62 1ivx s SER 276 Cb -0.14 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.61 1ivx s SER 276 CO -0.02 -1.01 0.65 -0.63 0.98 0.00 0.00 173.24 173.21 1ivx s ILE 277 N -3.89 4.88 -0.38 -1.02 -1.09 -1.26 -0.10 121.20 118.34 1ivx s ILE 277 Ca 0.11 -0.83 0.26 0.00 -2.23 0.00 0.00 60.65 57.96 1ivx s ILE 277 Cb 0.00 -4.39 0.34 0.00 -1.58 0.00 0.00 42.46 36.83 1ivx s ILE 277 CO -0.02 -0.96 1.71 0.00 -1.23 0.00 0.00 174.94 174.44 1ivx h ALA 278 N 9.08 1.00 -2.94 9.38 0.00 -0.85 -3.44 119.26 131.49 1ivx h ALA 278 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ivx h ALA 278 Cb 1.09 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1ivx h ALA 278 CO 1.03 0.00 0.14 -2.00 0.00 0.00 0.00 179.25 178.43 1ivx s GLU 279 N -3.29 1.26 -0.23 0.00 2.56 -1.22 -4.59 118.70 113.20 1ivx s GLU 279 Ca 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 54.97 54.42 1ivx s GLU 279 Cb 0.07 0.56 0.12 0.00 2.00 0.00 0.00 34.13 36.88 1ivx s GLU 279 CO 0.62 -0.54 0.43 1.41 -0.56 0.00 0.00 175.26 176.62 1ivx s MET 280 N -3.77 0.36 -0.05 4.30 1.75 -1.26 -1.39 119.30 119.24 1ivx s MET 280 Ca 0.02 0.86 0.06 0.00 -1.25 0.00 0.00 55.69 55.38 1ivx s MET 280 Cb -0.01 0.06 -0.01 0.00 2.84 0.00 0.00 34.83 37.71 1ivx s MET 280 CO -0.11 -0.43 -0.25 0.54 -0.65 0.00 0.00 175.02 174.12 1ivx s VAL 281 N 2.62 2.01 -0.61 10.11 0.11 0.21 -1.30 120.40 133.54 1ivx s VAL 281 Ca 0.06 -1.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1ivx s VAL 281 Cb -0.14 -1.69 0.15 0.00 -1.53 0.00 0.00 36.38 33.18 1ivx s VAL 281 CO -0.15 0.56 0.39 -0.69 -3.33 0.00 0.00 175.10 171.88 1ivx s VAL 282 N -0.26 2.64 0.13 2.04 1.01 0.17 -0.85 120.40 125.28 1ivx s VAL 282 Ca -0.00 -3.78 -0.27 0.00 0.00 0.00 0.00 61.98 57.93 1ivx s VAL 282 Cb -0.13 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 1ivx s VAL 282 CO 0.02 -0.92 0.83 -2.16 0.00 0.00 0.00 175.10 172.87 1ivx s PRO 283 N -0.87 4.60 -0.13 2.72 0.04 -1.19 -2.44 135.00 137.74 1ivx s PRO 283 Ca 0.22 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.38 1ivx s PRO 283 Cb -0.14 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1ivx s PRO 283 CO -0.09 0.41 0.20 0.71 0.04 0.00 0.00 177.00 178.26 1ivx s TYR 284 N -0.60 3.55 -0.41 0.56 1.51 -0.81 -1.55 117.35 119.60 1ivx s TYR 284 Ca 0.39 0.56 0.15 0.00 -1.01 0.00 0.00 57.07 57.16 1ivx s TYR 284 Cb -0.23 -2.09 0.80 0.00 -0.11 0.00 0.00 41.96 40.33 1ivx s TYR 284 CO 0.27 0.55 1.73 0.41 -1.11 0.00 0.00 175.55 177.40 1ivx n GLY 285 N 2.51 2.99 3.62 0.71 0.00 0.13 -4.89 105.19 110.26 1ivx n GLY 285 Ca -0.17 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1ivx n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ivx s ASP 286 N -0.84 6.59 0.00 1.61 2.15 -1.26 -4.84 116.67 120.08 1ivx s ASP 286 Ca 0.54 0.69 0.00 0.00 0.43 0.00 0.00 52.55 54.21 1ivx s ASP 286 Cb 0.40 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1ivx s ASP 286 CO 0.17 -0.40 0.86 -0.81 -0.17 0.00 0.00 175.17 174.82 1ivx n PRO 287 N 5.77 0.88 -2.27 4.34 -0.04 -1.26 -3.56 135.00 138.85 1ivx n PRO 287 Ca -0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1ivx n PRO 287 Cb 0.49 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 1ivx n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ivx s SER 288 N -1.08 6.96 0.62 3.54 0.15 -1.26 -4.74 113.70 117.89 1ivx s SER 288 Ca 0.00 2.34 0.35 0.00 0.70 0.00 0.00 55.95 59.34 1ivx s SER 288 Cb 0.00 -2.61 1.90 0.00 -1.71 0.00 0.00 66.02 63.60 1ivx s SER 288 CO 0.00 -0.47 2.07 -0.65 1.20 0.00 0.00 173.24 175.39 1ivx h PRO 289 N 5.30 0.00 0.00 5.44 0.11 -1.98 0.42 132.00 141.28 1ivx h PRO 289 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1ivx h PRO 289 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ivx h PRO 289 CO 0.76 0.00 -0.40 0.82 -0.21 0.00 0.00 178.00 178.97 1ivx h ILE 290 N 0.00 0.88 0.00 4.15 1.08 -1.94 -3.38 117.51 118.30 1ivx h ILE 290 Ca 0.00 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 1ivx h ILE 290 Cb 0.32 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1ivx h ILE 290 CO 0.00 0.39 0.00 0.54 -0.69 0.00 0.00 178.15 178.39 1ivx n ARG 291 N -3.48 -0.18 0.00 2.37 1.74 0.11 -4.86 116.66 112.36 1ivx n ARG 291 Ca 0.00 -0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.02 1ivx n ARG 291 Cb 0.54 -0.60 0.26 0.00 -1.02 0.00 0.00 32.46 31.65 1ivx n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ivx n SER 292 N -0.00 0.00 -0.49 0.55 3.41 0.98 -0.47 113.62 117.60 1ivx n SER 292 Ca 0.00 -0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.62 1ivx n SER 292 Cb 0.19 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.03 1ivx n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1ivx n TRP 293 N -1.15 0.00 -2.25 7.33 4.27 -1.26 -4.96 117.44 119.41 1ivx n TRP 293 Ca 0.06 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.24 1ivx n TRP 293 Cb 0.06 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 29.98 1ivx n TRP 293 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1ivx s GLN 294 N -1.24 3.39 -0.26 -2.67 0.74 0.38 -4.76 119.66 115.26 1ivx s GLN 294 Ca 0.15 0.93 -0.02 0.00 0.05 0.00 0.00 55.36 56.47 1ivx s GLN 294 Cb 0.11 -4.11 0.15 0.00 1.10 0.00 0.00 33.01 30.25 1ivx s GLN 294 CO 0.20 -1.80 0.43 -0.80 -0.55 0.00 0.00 175.29 172.77 1ivx s ASN 295 N 4.85 -0.11 0.13 6.67 0.01 -1.26 -1.92 114.94 123.30 1ivx s ASN 295 Ca 0.64 0.36 -0.14 0.00 -0.71 0.00 0.00 52.86 53.01 1ivx s ASN 295 Cb -0.15 1.35 -0.07 0.00 0.41 0.00 0.00 41.25 42.79 1ivx s ASN 295 CO 0.31 -0.29 0.53 -0.31 -1.51 0.00 0.00 177.10 175.83 1ivx s TYR 296 N 2.61 3.63 -0.68 2.20 1.51 -1.02 -4.87 117.35 120.74 1ivx s TYR 296 Ca 0.14 1.06 0.05 0.00 -1.01 0.00 0.00 57.07 57.31 1ivx s TYR 296 Cb -0.15 -2.36 0.17 0.00 -0.11 0.00 0.00 41.96 39.51 1ivx s TYR 296 CO -0.17 0.46 0.49 1.19 -1.11 0.00 0.00 175.55 176.41 1ivx n PHE 297 N 0.95 2.84 -0.09 2.71 3.01 -1.26 -0.65 117.46 124.97 1ivx n PHE 297 Ca -0.06 -4.21 0.16 0.00 1.01 0.00 0.00 57.45 54.34 1ivx n PHE 297 Cb 0.52 -0.54 0.56 0.00 -0.01 0.00 0.00 39.48 40.01 1ivx n PHE 297 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ivx h ASP 298 N 5.37 0.26 0.04 4.37 5.19 -1.58 0.28 116.42 130.35 1ivx h ASP 298 Ca 0.16 0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 56.38 1ivx h ASP 298 Cb 0.77 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 1ivx h ASP 298 CO 0.69 0.15 -1.10 0.74 -3.12 0.00 0.00 179.24 176.59 1ivx h THR 299 N 0.29 1.10 0.32 0.35 2.02 -1.86 -1.95 112.91 113.18 1ivx h THR 299 Ca 0.31 -2.28 -0.02 0.00 0.77 0.00 0.00 66.41 65.19 1ivx h THR 299 Cb 0.81 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1ivx h THR 299 CO -0.07 0.50 -0.15 1.23 0.37 0.00 0.00 175.52 177.40 1ivx h GLY 300 N -0.61 -0.44 1.42 2.16 0.00 -1.80 -2.95 103.07 100.84 1ivx h GLY 300 Ca -0.28 0.16 -0.28 0.00 0.00 0.00 0.00 47.33 46.94 1ivx h GLY 300 CO -0.09 -0.16 -1.40 0.83 0.00 0.00 0.00 176.54 175.72 1ivx h GLU 301 N -0.92 0.20 0.00 4.80 5.08 -0.71 -3.41 114.58 119.62 1ivx h GLU 301 Ca -0.04 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 1ivx h GLU 301 Cb 0.52 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ivx h GLU 301 CO 0.07 1.07 -2.00 0.66 -1.00 0.00 0.00 179.01 177.82 1ivx n TYR 302 N -3.42 0.00 -2.21 4.33 4.02 -1.08 -1.54 117.16 117.26 1ivx n TYR 302 Ca -0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.73 1ivx n TYR 302 Cb 1.02 -0.60 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1ivx n TYR 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ivx n LEU 303 N -2.35 -4.97 -0.35 7.72 4.77 -0.78 -4.85 117.00 116.19 1ivx n LEU 303 Ca -0.13 0.23 0.15 0.00 -0.03 0.00 0.00 56.01 56.22 1ivx n LEU 303 Cb 0.72 -2.23 0.35 0.00 -2.33 0.00 0.00 43.42 39.93 1ivx n LEU 303 CO 0.39 -1.11 1.19 -0.37 -1.33 0.00 0.00 177.39 176.15 1ivx h VAL 304 N 0.90 0.66 -0.04 4.08 -1.51 -1.36 0.33 116.25 119.31 1ivx h VAL 304 Ca 0.00 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1ivx h VAL 304 Cb 0.59 -0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1ivx h VAL 304 CO 0.11 0.13 0.01 1.23 -1.23 0.00 0.00 177.57 177.82 1ivx h GLY 305 N 0.70 0.05 1.14 5.19 0.00 -0.53 -1.99 103.07 107.62 1ivx h GLY 305 Ca 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 1ivx h GLY 305 CO -0.39 0.02 0.51 -1.61 0.00 0.00 0.00 176.54 175.06 1ivx h GLN 306 N 0.05 1.14 -0.53 4.80 4.15 -0.11 -2.70 115.11 121.92 1ivx h GLN 306 Ca 0.01 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1ivx h GLN 306 Cb 0.02 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.47 1ivx h GLN 306 CO -0.00 0.80 0.00 0.66 -1.93 0.00 0.00 178.83 178.36 1ivx n TYR 307 N -4.37 0.78 -1.66 3.99 4.01 -0.76 -4.97 117.16 114.18 1ivx n TYR 307 Ca 0.09 -0.35 -0.45 0.00 -0.16 0.00 0.00 57.90 57.04 1ivx n TYR 307 Cb 0.06 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1ivx n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ivx n ALA 308 N 0.78 0.86 -1.94 -0.72 0.00 -1.02 -3.11 120.51 115.36 1ivx n ALA 308 Ca 0.16 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.71 1ivx n ALA 308 Cb 0.50 -2.23 0.03 0.00 0.00 0.00 0.00 19.45 17.75 1ivx n ALA 308 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ivx s ASN 309 N 0.08 5.69 -0.55 0.00 0.02 0.90 -4.95 114.94 116.13 1ivx s ASN 309 Ca 0.65 1.11 -0.20 0.00 -1.02 0.00 0.00 52.86 53.40 1ivx s ASN 309 Cb -0.66 -2.02 0.07 0.00 0.02 0.00 0.00 41.25 38.66 1ivx s ASN 309 CO 0.53 -1.15 0.73 -0.44 0.02 0.00 0.00 177.10 176.80 1ivx s SER 310 N -4.30 6.23 0.00 -1.22 0.01 -1.26 -4.23 113.70 108.93 1ivx s SER 310 Ca 0.56 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1ivx s SER 310 Cb -0.11 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 1ivx s SER 310 CO 0.51 -1.06 1.65 -0.76 0.41 0.00 0.00 173.24 173.99 1ivx s LEU 311 N 3.03 4.35 -0.15 2.44 1.43 0.55 -4.97 118.68 125.35 1ivx s LEU 311 Ca 0.18 2.35 -0.05 0.00 -1.03 0.00 0.00 54.13 55.57 1ivx s LEU 311 Cb -0.19 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1ivx s LEU 311 CO 0.12 -0.90 0.02 -1.61 0.23 0.00 0.00 176.35 174.20 1ivx s GLU 312 N 3.41 3.66 -0.29 1.70 0.41 -1.26 -4.78 118.70 121.56 1ivx s GLU 312 Ca 0.74 -0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 54.60 1ivx s GLU 312 Cb -0.36 -3.03 -0.07 0.00 -1.78 0.00 0.00 34.13 28.89 1ivx s GLU 312 CO 0.31 0.37 2.25 -0.11 -0.49 0.00 0.00 175.26 177.59 1ivx n LEU 313 N 3.19 2.88 0.00 1.80 7.94 -1.26 -1.73 117.00 129.82 1ivx n LEU 313 Ca -0.17 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1ivx n LEU 313 Cb 0.53 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.98 1ivx n LEU 313 CO 0.33 -0.81 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 1ivx n GLY 314 N 5.98 3.33 0.12 -3.96 0.00 0.82 -4.90 105.19 106.58 1ivx n GLY 314 Ca 0.34 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 1ivx n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx h ASP 316 N -0.51 0.00 -3.25 0.00 3.32 -1.68 -3.46 116.42 110.83 1ivx h ASP 316 Ca -0.03 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.67 1ivx h ASP 316 Cb 0.20 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.37 1ivx h ASP 316 CO 0.04 0.30 -0.71 0.00 -1.72 0.00 0.00 179.24 177.15 1ivx s LEU 318 N 2.20 3.36 0.00 0.00 2.96 -1.26 -0.13 118.68 125.81 1ivx s LEU 318 Ca 0.04 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1ivx s LEU 318 Cb -0.12 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1ivx s LEU 318 CO -0.04 0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.93 1ivx n GLY 319 N 2.48 -0.31 3.42 7.98 0.00 -1.25 -4.87 105.19 112.63 1ivx n GLY 319 Ca -0.18 -2.20 -0.44 0.00 0.00 0.00 0.00 46.02 43.20 1ivx n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ivx s ASP 320 N -4.00 6.25 -0.03 1.61 -1.08 -1.26 -4.98 116.67 113.19 1ivx s ASP 320 Ca 0.00 -1.36 -0.07 0.00 -0.52 0.00 0.00 52.55 50.60 1ivx s ASP 320 Cb 0.00 -2.36 -0.05 0.00 -1.46 0.00 0.00 42.92 39.05 1ivx s ASP 320 CO 0.00 -1.24 0.25 -0.63 0.52 0.00 0.00 175.17 174.07 1ivx s ILE 321 N 3.22 5.33 -0.17 4.11 -1.09 -1.26 -4.59 121.20 126.75 1ivx s ILE 321 Ca 0.19 0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1ivx s ILE 321 Cb -0.18 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 1ivx s ILE 321 CO 0.05 0.46 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.15 1ivx s THR 322 N -1.20 1.93 0.06 2.92 2.01 0.91 -4.98 115.64 117.29 1ivx s THR 322 Ca 0.24 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1ivx s THR 322 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1ivx s THR 322 CO 0.13 0.50 0.14 -0.31 -0.69 0.00 0.00 174.62 174.39 1ivx s TYR 323 N 1.34 3.36 0.06 4.92 2.02 -1.26 -0.47 117.35 127.31 1ivx s TYR 323 Ca 0.05 0.18 0.09 0.00 -0.37 0.00 0.00 57.07 57.01 1ivx s TYR 323 Cb -0.13 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1ivx s TYR 323 CO -0.12 0.56 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.68 1ivx s LEU 324 N -2.37 2.40 -0.52 -1.29 1.43 -0.48 -4.98 118.68 112.87 1ivx s LEU 324 Ca 0.31 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1ivx s LEU 324 Cb -0.13 -1.39 0.13 0.00 0.03 0.00 0.00 46.19 44.84 1ivx s LEU 324 CO 0.24 0.25 0.27 -0.44 0.23 0.00 0.00 176.35 176.89 1ivx s SER 325 N -1.46 4.23 0.77 2.29 0.01 -1.26 -2.26 113.70 116.03 1ivx s SER 325 Ca 0.13 -3.00 -0.13 0.00 1.31 0.00 0.00 55.95 54.26 1ivx s SER 325 Cb -0.10 -1.55 0.06 0.00 0.21 0.00 0.00 66.02 64.63 1ivx s SER 325 CO 0.04 -0.23 1.17 -2.16 0.41 0.00 0.00 173.24 172.48 1ivx s PRO 326 N -0.25 1.98 -0.10 12.44 0.04 -1.22 -4.62 135.00 143.27 1ivx s PRO 326 Ca 0.17 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1ivx s PRO 326 Cb -0.25 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1ivx s PRO 326 CO -0.01 -1.92 -0.17 0.08 0.04 0.00 0.00 177.00 175.02 1ivx s VAL 327 N -2.25 2.69 0.39 -0.36 1.01 -1.26 -0.14 120.40 120.46 1ivx s VAL 327 Ca 0.71 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1ivx s VAL 327 Cb -0.26 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1ivx s VAL 327 CO 0.49 0.55 0.09 0.27 0.00 0.00 0.00 175.10 176.50 1ivx s ILE 328 N 0.13 0.86 -0.05 2.22 -4.36 0.43 -4.82 121.20 115.60 1ivx s ILE 328 Ca -0.09 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1ivx s ILE 328 Cb -0.15 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1ivx s ILE 328 CO 0.05 0.00 0.19 -0.55 0.24 0.00 0.00 174.94 174.88 1ivx s SER 329 N -3.59 6.43 0.87 4.36 0.15 -1.26 0.85 113.70 121.51 1ivx s SER 329 Ca 0.27 0.47 -0.06 0.00 0.70 0.00 0.00 55.95 57.33 1ivx s SER 329 Cb 0.05 -2.06 0.11 0.00 -1.71 0.00 0.00 66.02 62.40 1ivx s SER 329 CO 0.14 0.33 0.65 -0.90 1.20 0.00 0.00 173.24 174.65 1ivx n ASP 330 N 1.47 0.25 0.00 5.45 3.85 0.56 -4.86 116.55 123.27 1ivx n ASP 330 Ca -0.15 -1.36 0.05 0.00 -0.71 0.00 0.00 54.79 52.62 1ivx n ASP 330 Cb 0.54 -0.48 0.25 0.00 -1.35 0.00 0.00 41.12 40.08 1ivx n ASP 330 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ivx n ALA 331 N -3.30 1.61 0.11 2.12 0.00 -1.26 -2.01 120.51 117.78 1ivx n ALA 331 Ca -0.11 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1ivx n ALA 331 Cb 0.31 -1.16 0.09 0.00 0.00 0.00 0.00 19.45 18.68 1ivx n ALA 331 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ivx n PHE 332 N -1.32 0.20 -0.60 0.00 3.72 -1.26 -0.24 117.46 117.96 1ivx n PHE 332 Ca 0.04 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1ivx n PHE 332 Cb 0.09 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1ivx n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ivx n GLY 333 N 0.44 0.75 3.83 1.37 0.00 -0.85 -4.95 105.19 105.78 1ivx n GLY 333 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1ivx n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ivx s ASN 334 N -2.53 6.93 0.21 1.61 -0.87 -1.26 -4.39 114.94 114.64 1ivx s ASN 334 Ca 0.00 1.39 -0.30 0.00 -1.57 0.00 0.00 52.86 52.38 1ivx s ASN 334 Cb 0.00 -2.41 -0.09 0.00 -0.02 0.00 0.00 41.25 38.73 1ivx s ASN 334 CO 0.00 -0.11 1.24 -2.16 -2.57 0.00 0.00 177.10 173.50 1ivx s PRO 335 N -2.53 4.45 -0.15 -0.60 0.04 -1.26 -0.32 135.00 134.62 1ivx s PRO 335 Ca 0.50 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 1ivx s PRO 335 Cb -0.13 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1ivx s PRO 335 CO 0.19 -0.14 -0.04 0.50 0.04 0.00 0.00 177.00 177.55 1ivx s ARG 336 N -0.41 1.24 0.12 4.56 3.00 0.25 -4.86 118.95 122.85 1ivx s ARG 336 Ca 0.53 -0.41 -0.22 0.00 -1.00 0.00 0.00 55.73 54.64 1ivx s ARG 336 Cb -0.35 -1.86 -0.07 0.00 0.00 0.00 0.00 34.95 32.67 1ivx s ARG 336 CO 0.39 -0.43 0.67 -2.00 0.00 0.00 0.00 175.30 173.93 1ivx s GLU 337 N 1.71 4.36 -0.78 5.12 2.12 -1.26 -0.43 118.70 129.54 1ivx s GLU 337 Ca 0.01 0.93 -0.12 0.00 0.36 0.00 0.00 54.97 56.15 1ivx s GLU 337 Cb -0.15 -3.23 0.20 0.00 0.26 0.00 0.00 34.13 31.22 1ivx s GLU 337 CO -0.07 0.60 0.69 0.42 -0.54 0.00 0.00 175.26 176.36 1ivx s ILE 338 N -1.15 5.19 0.09 -3.70 1.01 0.80 -4.98 121.20 118.46 1ivx s ILE 338 Ca 0.33 -2.57 -0.31 0.00 0.00 0.00 0.00 60.65 58.10 1ivx s ILE 338 Cb -0.21 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 1ivx s ILE 338 CO 0.22 -0.99 1.77 -0.60 0.00 0.00 0.00 174.94 175.34 1ivx s ARG 339 N 0.13 4.16 -1.46 2.79 3.52 -1.26 -2.21 118.95 124.63 1ivx s ARG 339 Ca 0.17 2.49 -0.09 0.00 -0.13 0.00 0.00 55.73 58.17 1ivx s ARG 339 Cb -0.13 -3.64 0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1ivx s ARG 339 CO -0.07 -0.81 0.78 0.09 -0.81 0.00 0.00 175.30 174.48 1ivx n ASN 340 N 5.79 -5.29 0.22 -2.12 3.02 -1.23 -4.15 115.26 111.51 1ivx n ASN 340 Ca 0.17 -0.48 0.14 0.00 -0.03 0.00 0.00 54.58 54.38 1ivx n ASN 340 Cb 0.39 -4.25 0.39 0.00 -0.61 0.00 0.00 39.78 35.70 1ivx n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ivx h GLY 341 N -1.70 0.00 -5.81 7.41 0.00 -1.12 0.16 103.07 102.00 1ivx h GLY 341 Ca -0.53 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.13 1ivx h GLY 341 CO 0.59 0.00 -0.85 -0.42 0.00 0.00 0.00 176.54 175.86 1ivx s ILE 342 N -3.36 2.22 -0.17 2.60 1.01 -0.96 -4.46 121.20 118.08 1ivx s ILE 342 Ca 0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 1ivx s ILE 342 Cb 0.07 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1ivx s ILE 342 CO 0.60 0.54 -0.00 0.00 0.00 0.00 0.00 174.94 176.08 1ivx s MET 344 N 0.55 1.33 0.09 0.00 -1.94 0.38 -1.11 119.30 118.60 1ivx s MET 344 Ca -0.01 -0.35 -0.27 0.00 -1.71 0.00 0.00 55.69 53.35 1ivx s MET 344 Cb -0.14 -1.17 0.08 0.00 2.01 0.00 0.00 34.83 35.61 1ivx s MET 344 CO 0.02 0.07 0.92 -3.38 -0.01 0.00 0.00 175.02 172.64 1ivx s HIS 345 N 0.46 -0.24 0.06 -0.03 -3.43 -1.02 -0.06 115.29 111.03 1ivx s HIS 345 Ca -0.09 0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.24 1ivx s HIS 345 Cb -0.13 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 1ivx s HIS 345 CO 0.02 -0.71 -0.12 -1.83 -2.00 0.00 0.00 174.74 170.11 1ivx s GLU 346 N -3.23 2.21 0.07 -0.38 -1.05 -1.26 -0.43 118.70 114.63 1ivx s GLU 346 Ca 0.09 -0.94 0.03 0.00 -0.15 0.00 0.00 54.97 54.00 1ivx s GLU 346 Cb -0.01 -2.32 -0.03 0.00 -0.44 0.00 0.00 34.13 31.33 1ivx s GLU 346 CO -0.03 0.54 -0.10 -1.83 0.95 0.00 0.00 175.26 174.79 1ivx s GLU 347 N -1.79 0.73 0.41 -4.83 -1.05 0.94 -4.92 118.70 108.18 1ivx s GLU 347 Ca 0.18 -0.99 -0.26 0.00 -0.15 0.00 0.00 54.97 53.76 1ivx s GLU 347 Cb -0.11 -0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 33.02 1ivx s GLU 347 CO 0.10 0.08 1.26 0.34 0.95 0.00 0.00 175.26 177.99 1ivx s ASP 348 N -2.05 6.33 -0.31 0.83 2.15 -1.26 -1.08 116.67 121.28 1ivx s ASP 348 Ca -0.01 2.56 0.17 0.00 0.43 0.00 0.00 52.55 55.71 1ivx s ASP 348 Cb -0.06 -2.63 0.48 0.00 -0.30 0.00 0.00 42.92 40.40 1ivx s ASP 348 CO 0.00 -0.83 1.05 1.87 -0.17 0.00 0.00 175.17 177.10 1ivx n TRP 349 N 0.06 1.59 -4.49 -5.34 -0.00 -0.71 -4.81 117.44 103.74 1ivx n TRP 349 Ca 0.04 -2.51 0.00 0.00 -0.00 0.00 0.00 57.50 55.03 1ivx n TRP 349 Cb 0.44 -0.29 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 1ivx n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ivx n GLY 350 N -0.38 1.02 3.77 5.87 0.00 -1.26 -4.46 105.19 109.74 1ivx n GLY 350 Ca 0.15 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1ivx n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ivx s ILE 351 N 0.00 4.84 -0.18 -0.61 -1.09 -1.26 -0.65 121.20 122.25 1ivx s ILE 351 Ca 0.00 1.33 -0.14 0.00 -2.23 0.00 0.00 60.65 59.60 1ivx s ILE 351 Cb 0.00 -3.97 -0.22 0.00 -1.58 0.00 0.00 42.46 36.70 1ivx s ILE 351 CO 0.00 0.43 0.24 -0.11 -1.23 0.00 0.00 174.94 174.27 1ivx n LEU 352 N 2.58 2.22 -3.54 2.97 7.94 0.15 -4.54 117.00 124.78 1ivx n LEU 352 Ca -0.06 0.31 -0.17 0.00 -1.11 0.00 0.00 56.01 54.98 1ivx n LEU 352 Cb 0.51 -1.02 -0.06 0.00 0.53 0.00 0.00 43.42 43.37 1ivx n LEU 352 CO 0.44 0.55 0.45 0.00 -1.11 0.00 0.00 177.39 177.72 1ivx s ALA 353 N -2.46 -1.78 -0.19 1.96 0.00 -1.20 -4.97 121.76 113.13 1ivx s ALA 353 Ca -0.27 1.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 1ivx s ALA 353 Cb 0.07 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 23.01 1ivx s ALA 353 CO 0.66 -0.36 0.69 0.21 0.00 0.00 0.00 175.76 176.96 1ivx s LYS 354 N -0.90 0.90 -0.29 0.00 2.20 -1.26 -1.49 119.74 118.90 1ivx s LYS 354 Ca -0.09 0.72 -0.16 0.00 -0.36 0.00 0.00 55.97 56.09 1ivx s LYS 354 Cb -0.01 0.43 0.12 0.00 -1.51 0.00 0.00 37.83 36.86 1ivx s LYS 354 CO 0.08 -0.18 0.83 -1.58 -0.36 0.00 0.00 175.35 174.15 1ivx s HIS 355 N -0.17 -0.83 -0.33 4.03 2.46 0.54 -5.00 115.29 115.98 1ivx s HIS 355 Ca -0.04 1.64 -0.08 0.00 0.47 0.00 0.00 55.06 57.06 1ivx s HIS 355 Cb -0.03 0.50 0.03 0.00 -0.13 0.00 0.00 32.58 32.94 1ivx s HIS 355 CO 0.04 -0.41 0.12 -1.12 -2.47 0.00 0.00 174.74 170.90 1ivx s SER 356 N 1.60 5.37 -0.22 9.88 0.01 -1.26 0.02 113.70 129.10 1ivx s SER 356 Ca -0.09 -0.96 -0.12 0.00 1.31 0.00 0.00 55.95 56.09 1ivx s SER 356 Cb -0.05 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1ivx s SER 356 CO -0.17 -0.30 0.22 -0.62 0.41 0.00 0.00 173.24 172.78 1ivx s ASP 357 N 1.47 6.22 0.02 2.44 2.15 0.09 -4.99 116.67 124.08 1ivx s ASP 357 Ca 0.01 0.24 -0.29 0.00 0.43 0.00 0.00 52.55 52.93 1ivx s ASP 357 Cb -0.19 -2.14 -0.16 0.00 -0.30 0.00 0.00 42.92 40.13 1ivx s ASP 357 CO 0.04 0.05 1.24 0.25 -0.17 0.00 0.00 175.17 176.57 1ivx h LEU 358 N 7.41 -0.82 -0.83 -1.34 5.85 -1.96 -1.37 115.31 122.26 1ivx h LEU 358 Ca -0.38 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.48 1ivx h LEU 358 Cb 1.17 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.32 1ivx h LEU 358 CO 0.69 -0.47 0.43 -0.50 -0.34 0.00 0.00 178.44 178.25 1ivx h TRP 359 N -1.20 0.75 0.00 1.25 6.55 -1.98 -2.55 115.95 118.77 1ivx h TRP 359 Ca -0.10 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.77 1ivx h TRP 359 Cb 0.76 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.85 1ivx h TRP 359 CO 0.00 0.20 -1.08 -1.13 -1.05 0.00 0.00 178.44 175.38 1ivx n SER 360 N -4.86 0.66 0.00 -3.49 3.41 -1.25 -4.95 113.62 103.14 1ivx n SER 360 Ca 0.16 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1ivx n SER 360 Cb 0.40 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1ivx n SER 360 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ivx n GLY 361 N 1.26 0.51 3.71 5.00 0.00 -0.52 -5.00 105.19 110.15 1ivx n GLY 361 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1ivx n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ivx s ILE 362 N -2.20 5.27 -0.19 -0.61 1.01 -1.22 -4.91 121.20 118.36 1ivx s ILE 362 Ca 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 1ivx s ILE 362 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1ivx s ILE 362 CO 0.00 0.35 -0.02 0.20 0.00 0.00 0.00 174.94 175.47 1ivx s ASN 363 N 0.63 4.76 -0.03 3.58 0.01 -1.26 -0.73 114.94 121.89 1ivx s ASN 363 Ca 0.18 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.15 1ivx s ASN 363 Cb -0.14 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.74 1ivx s ASN 363 CO 0.06 0.09 -0.06 -0.47 -1.51 0.00 0.00 177.10 175.21 1ivx s TYR 364 N 0.81 0.79 -0.07 2.20 6.14 0.10 -4.99 117.35 122.34 1ivx s TYR 364 Ca -0.00 -0.20 -0.06 0.00 0.64 0.00 0.00 57.07 57.45 1ivx s TYR 364 Cb -0.14 -0.62 0.02 0.00 0.42 0.00 0.00 41.96 41.64 1ivx s TYR 364 CO 0.02 -0.13 0.19 0.99 0.64 0.00 0.00 175.55 177.26 1ivx s THR 365 N 0.46 -0.01 0.00 4.34 2.01 -1.26 -0.34 115.64 120.84 1ivx s THR 365 Ca -0.06 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1ivx s THR 365 Cb -0.10 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1ivx s THR 365 CO 0.00 0.02 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.73 1ivx s ARG 366 N 0.42 0.71 0.15 4.92 1.81 -0.56 -4.90 118.95 121.50 1ivx s ARG 366 Ca -0.03 -0.40 -0.21 0.00 -1.72 0.00 0.00 55.73 53.37 1ivx s ARG 366 Cb -0.04 -0.68 -0.08 0.00 -0.45 0.00 0.00 34.95 33.71 1ivx s ARG 366 CO -0.02 0.18 0.68 1.03 -0.68 0.00 0.00 175.30 176.49 1ivx s ARG 367 N -0.43 4.34 0.42 3.54 0.52 -1.26 0.30 118.95 126.37 1ivx s ARG 367 Ca 0.02 0.91 0.02 0.00 -0.52 0.00 0.00 55.73 56.17 1ivx s ARG 367 Cb -0.04 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 1ivx s ARG 367 CO -0.00 0.55 0.61 1.21 0.02 0.00 0.00 175.30 177.69 1ivx s ASN 368 N -1.28 5.85 0.10 0.23 3.84 0.18 -4.50 114.94 119.36 1ivx s ASN 368 Ca 0.35 0.11 -0.23 0.00 0.21 0.00 0.00 52.86 53.30 1ivx s ASN 368 Cb -0.20 -1.40 0.06 0.00 -0.55 0.00 0.00 41.25 39.16 1ivx s ASN 368 CO 0.22 -0.63 0.58 -0.13 -2.79 0.00 0.00 177.10 174.35 1ivx s ARG 369 N -4.44 1.18 0.01 0.43 0.52 -1.26 -1.73 118.95 113.66 1ivx s ARG 369 Ca 0.48 -0.34 -0.01 0.00 -0.52 0.00 0.00 55.73 55.34 1ivx s ARG 369 Cb -0.10 0.54 -0.01 0.00 0.52 0.00 0.00 34.95 35.90 1ivx s ARG 369 CO 0.36 -0.48 0.01 -0.98 0.02 0.00 0.00 175.30 174.23 1ivx s ARG 370 N -3.12 0.25 -0.14 3.54 1.70 -0.24 -3.05 118.95 117.89 1ivx s ARG 370 Ca -0.02 -0.39 -0.16 0.00 -0.47 0.00 0.00 55.73 54.69 1ivx s ARG 370 Cb -0.00 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 1ivx s ARG 370 CO -0.07 -0.04 0.40 1.41 -1.08 0.00 0.00 175.30 175.92 1ivx s MET 371 N -1.01 4.30 -0.15 3.89 -2.45 0.33 -0.04 119.30 124.17 1ivx s MET 371 Ca -0.11 0.30 -0.02 0.00 -1.25 0.00 0.00 55.69 54.61 1ivx s MET 371 Cb -0.07 -3.44 -0.02 0.00 1.25 0.00 0.00 34.83 32.55 1ivx s MET 371 CO -0.00 0.17 -0.09 0.08 1.05 0.00 0.00 175.02 176.23 1ivx s VAL 372 N 0.63 3.38 -0.21 10.11 1.01 0.43 -1.48 120.40 134.26 1ivx s VAL 372 Ca 0.22 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1ivx s VAL 372 Cb -0.14 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1ivx s VAL 372 CO 0.08 0.50 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1ivx s ILE 373 N 0.48 1.51 0.20 2.22 1.01 -0.74 -2.45 121.20 123.44 1ivx s ILE 373 Ca -0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.49 1ivx s ILE 373 Cb -0.15 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1ivx s ILE 373 CO 0.04 0.03 0.19 -0.94 0.00 0.00 0.00 174.94 174.26 1ivx s SER 374 N 1.43 0.11 -0.02 3.58 1.04 -0.26 -1.52 113.70 118.06 1ivx s SER 374 Ca -0.03 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 54.86 1ivx s SER 374 Cb -0.17 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.42 1ivx s SER 374 CO -0.07 -0.89 0.57 0.72 0.98 0.00 0.00 173.24 174.55 1ivx s PHE 375 N -4.12 -0.51 0.07 5.02 -0.71 -1.07 -0.24 117.98 116.42 1ivx s PHE 375 Ca 0.34 0.81 0.09 0.00 -1.04 0.00 0.00 56.93 57.13 1ivx s PHE 375 Cb 0.06 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 1ivx s PHE 375 CO 0.10 -0.57 -0.24 0.12 -1.34 0.00 0.00 175.22 173.29 1ivx s PHE 376 N -1.50 2.40 0.12 3.49 2.19 -1.26 -1.33 117.98 122.09 1ivx s PHE 376 Ca -0.10 -0.35 0.04 0.00 0.33 0.00 0.00 56.93 56.85 1ivx s PHE 376 Cb -0.01 -1.38 -0.04 0.00 -1.31 0.00 0.00 43.02 40.28 1ivx s PHE 376 CO 0.06 0.22 -0.10 -0.08 1.83 0.00 0.00 175.22 177.15 1ivx s THR 377 N -0.92 1.04 -0.16 0.12 -1.32 -0.05 -0.07 115.64 114.28 1ivx s THR 377 Ca 0.13 -1.80 -0.01 0.00 -1.21 0.00 0.00 61.69 58.80 1ivx s THR 377 Cb -0.10 -1.56 0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1ivx s THR 377 CO 0.04 -0.63 -0.02 -0.89 -2.21 0.00 0.00 174.62 170.92 1ivx s THR 378 N -2.78 0.80 -0.69 5.08 2.01 -1.18 -1.36 115.64 117.53 1ivx s THR 378 Ca 0.10 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1ivx s THR 378 Cb -0.01 -1.07 0.17 0.00 0.01 0.00 0.00 72.50 71.61 1ivx s THR 378 CO 0.00 0.06 0.50 -0.63 -0.69 0.00 0.00 174.62 173.86 1ivx s ILE 379 N 1.76 3.61 0.00 1.82 -1.09 -1.26 -4.84 121.20 121.20 1ivx s ILE 379 Ca 0.01 -3.39 0.00 0.00 -2.23 0.00 0.00 60.65 55.04 1ivx s ILE 379 Cb -0.15 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1ivx s ILE 379 CO -0.07 -0.93 0.00 0.61 -1.23 0.00 0.00 174.94 173.31 1ivx n GLY 380 N 2.97 1.96 0.71 6.18 0.00 -1.26 -4.83 105.19 110.92 1ivx n GLY 380 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ivx n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ivx n ASN 381 N 10.45 1.80 -3.59 1.61 6.94 -1.26 -4.98 115.26 126.22 1ivx n ASN 381 Ca 0.00 -2.04 0.02 0.00 -0.02 0.00 0.00 54.58 52.54 1ivx n ASN 381 Cb 0.00 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 36.85 1ivx n ASN 381 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1ivx s ASP 383 N 0.30 -0.15 -0.02 0.53 1.11 -0.72 -0.56 116.67 117.17 1ivx s ASP 383 Ca 0.02 0.24 0.07 0.00 0.18 0.00 0.00 52.55 53.05 1ivx s ASP 383 Cb 0.01 1.08 -0.02 0.00 1.07 0.00 0.00 42.92 45.07 1ivx s ASP 383 CO 0.00 -0.04 -0.22 -0.31 1.18 0.00 0.00 175.17 175.79 1ivx s TYR 384 N 1.24 1.95 -0.14 4.23 2.02 -0.46 -0.57 117.35 125.62 1ivx s TYR 384 Ca -0.07 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1ivx s TYR 384 Cb -0.02 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.26 1ivx s TYR 384 CO -0.11 -0.03 -0.10 0.20 -1.57 0.00 0.00 175.55 173.93 1ivx s GLY 385 N -0.51 1.60 -0.21 0.71 0.00 0.39 -0.87 107.32 108.43 1ivx s GLY 385 Ca 0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 1ivx s GLY 385 CO -0.01 -0.17 -0.03 -1.36 0.00 0.00 0.00 173.10 171.53 1ivx s PHE 386 N 0.32 2.98 -0.07 1.90 0.40 -0.44 -0.41 117.98 122.65 1ivx s PHE 386 Ca -0.08 -0.74 0.03 0.00 -0.60 0.00 0.00 56.93 55.53 1ivx s PHE 386 Cb -0.15 -2.09 0.01 0.00 0.51 0.00 0.00 43.02 41.30 1ivx s PHE 386 CO 0.05 -0.42 -0.13 0.71 0.70 0.00 0.00 175.22 176.12 1ivx s TYR 387 N 1.26 1.56 -0.09 0.36 1.51 0.65 -2.59 117.35 120.01 1ivx s TYR 387 Ca 0.03 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1ivx s TYR 387 Cb -0.14 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1ivx s TYR 387 CO -0.01 -0.28 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.49 1ivx s TRP 388 N 0.59 2.90 0.02 2.71 0.52 -0.58 -0.22 118.94 124.88 1ivx s TRP 388 Ca -0.14 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 55.87 1ivx s TRP 388 Cb -0.16 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1ivx s TRP 388 CO 0.04 0.15 -0.20 0.71 0.02 0.00 0.00 176.95 177.67 1ivx s TYR 389 N -0.37 1.73 -0.12 -1.98 2.02 0.15 -1.79 117.35 116.99 1ivx s TYR 389 Ca 0.05 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1ivx s TYR 389 Cb -0.12 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.38 1ivx s TYR 389 CO 0.02 0.03 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.36 1ivx s LEU 390 N -0.83 1.79 0.10 -1.29 1.43 -0.55 -1.43 118.68 117.90 1ivx s LEU 390 Ca 0.07 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1ivx s LEU 390 Cb -0.08 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1ivx s LEU 390 CO 0.01 0.02 0.04 -0.31 0.23 0.00 0.00 176.35 176.34 1ivx s TYR 391 N 0.98 3.05 0.43 0.29 2.02 -0.54 -0.51 117.35 123.07 1ivx s TYR 391 Ca -0.06 -0.01 0.24 0.00 -0.37 0.00 0.00 57.07 56.87 1ivx s TYR 391 Cb -0.15 -1.54 1.25 0.00 -0.40 0.00 0.00 41.96 41.11 1ivx s TYR 391 CO -0.02 0.50 1.73 -0.07 -1.57 0.00 0.00 175.55 176.12 1ivx h LEU 392 N 3.22 0.34 -0.71 -1.29 3.38 -1.87 -0.70 115.31 117.67 1ivx h LEU 392 Ca -0.47 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1ivx h LEU 392 Cb 1.17 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ivx h LEU 392 CO 0.62 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.25 1ivx n ASP 393 N -4.59 1.04 0.00 -0.43 5.75 -1.26 -4.73 116.55 112.33 1ivx n ASP 393 Ca 0.29 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1ivx n ASP 393 Cb 1.08 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 1ivx n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ivx n GLY 394 N 0.85 0.69 3.75 6.12 0.00 -0.27 -4.75 105.19 111.58 1ivx n GLY 394 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1ivx n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ivx s THR 395 N -2.57 4.09 -0.11 2.61 2.01 -1.25 -4.32 115.64 116.10 1ivx s THR 395 Ca 0.00 2.08 0.03 0.00 0.31 0.00 0.00 61.69 64.11 1ivx s THR 395 Cb 0.00 -4.33 -0.00 0.00 0.01 0.00 0.00 72.50 68.18 1ivx s THR 395 CO 0.00 0.49 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.59 1ivx s ILE 396 N -1.13 2.33 0.05 1.82 1.01 -0.13 -1.46 121.20 123.69 1ivx s ILE 396 Ca 0.41 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1ivx s ILE 396 Cb -0.26 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1ivx s ILE 396 CO 0.32 0.55 -0.09 -0.70 0.00 0.00 0.00 174.94 175.02 1ivx s GLU 397 N 0.40 0.61 -0.01 2.79 2.12 -0.52 -0.09 118.70 124.01 1ivx s GLU 397 Ca -0.15 -0.86 0.06 0.00 0.36 0.00 0.00 54.97 54.38 1ivx s GLU 397 Cb -0.17 -0.36 -0.02 0.00 0.26 0.00 0.00 34.13 33.84 1ivx s GLU 397 CO 0.07 0.06 -0.20 0.12 -0.54 0.00 0.00 175.26 174.77 1ivx s PHE 398 N -1.63 1.76 -0.02 5.30 5.36 -0.52 0.33 117.98 128.55 1ivx s PHE 398 Ca -0.06 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 1ivx s PHE 398 Cb -0.08 -1.12 0.03 0.00 -0.34 0.00 0.00 43.02 41.51 1ivx s PHE 398 CO 0.00 -0.01 0.01 -2.00 -1.46 0.00 0.00 175.22 171.77 1ivx s GLU 399 N -0.58 0.12 -0.14 10.12 2.12 0.69 -2.17 118.70 128.86 1ivx s GLU 399 Ca 0.07 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.50 1ivx s GLU 399 Cb -0.08 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.94 1ivx s GLU 399 CO -0.00 -0.14 -0.03 0.00 -0.54 0.00 0.00 175.26 174.55 1ivx s ALA 400 N 0.99 3.07 -0.26 6.30 0.00 0.52 -0.25 121.76 132.12 1ivx s ALA 400 Ca -0.09 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1ivx s ALA 400 Cb -0.13 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1ivx s ALA 400 CO -0.02 0.29 -0.02 0.15 0.00 0.00 0.00 175.76 176.16 1ivx s LYS 401 N 0.10 2.91 -0.22 0.00 1.02 0.45 -1.91 119.74 122.09 1ivx s LYS 401 Ca 0.00 -0.94 -0.12 0.00 0.02 0.00 0.00 55.97 54.93 1ivx s LYS 401 Cb -0.13 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1ivx s LYS 401 CO 0.03 -0.41 0.22 0.00 -0.92 0.00 0.00 175.35 174.27 1ivx s ALA 402 N 1.37 3.61 0.00 5.17 0.00 -0.30 -0.46 121.76 131.15 1ivx s ALA 402 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1ivx s ALA 402 Cb -0.17 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1ivx s ALA 402 CO -0.03 -0.13 0.00 -2.37 0.00 0.00 0.00 175.76 173.24 1ivx n THR 403 N 4.09 0.00 0.00 0.00 5.66 0.26 -1.86 114.28 122.44 1ivx n THR 403 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1ivx n THR 403 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1ivx n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ivx n GLY 404 N 0.00 -0.14 3.41 1.09 0.00 -1.26 -1.75 105.19 106.54 1ivx n GLY 404 Ca 0.00 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1ivx n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivx s VAL 405 N 0.00 2.90 0.46 1.61 1.01 0.28 -1.45 120.40 125.22 1ivx s VAL 405 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 1ivx s VAL 405 Cb 0.00 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 1ivx s VAL 405 CO 0.00 0.56 1.28 -0.69 0.00 0.00 0.00 175.10 176.26 1ivx s VAL 406 N -0.24 2.59 -0.07 2.92 1.01 -1.26 -4.72 120.40 120.62 1ivx s VAL 406 Ca 0.01 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1ivx s VAL 406 Cb -0.13 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1ivx s VAL 406 CO 0.03 0.03 1.10 0.12 0.00 0.00 0.00 175.10 176.38 1ivx s PHE 407 N -1.36 3.37 0.39 5.22 5.36 -1.26 -4.99 117.98 124.71 1ivx s PHE 407 Ca 0.63 1.42 0.08 0.00 -0.96 0.00 0.00 56.93 58.10 1ivx s PHE 407 Cb -0.36 -3.30 -0.02 0.00 -0.34 0.00 0.00 43.02 39.00 1ivx s PHE 407 CO 0.45 -0.75 0.40 0.95 -1.46 0.00 0.00 175.22 174.81 1ivx s THR 408 N 2.02 3.07 0.14 0.12 -4.23 -1.26 -4.09 115.64 111.41 1ivx s THR 408 Ca 0.52 -1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1ivx s THR 408 Cb -0.22 -3.08 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1ivx s THR 408 CO 0.21 -0.06 0.23 -1.54 -0.54 0.00 0.00 174.62 172.92 1ivx n SER 409 N -1.57 -0.65 -4.87 3.99 3.41 -0.84 -4.88 113.62 108.21 1ivx n SER 409 Ca 0.03 -1.66 -0.31 0.00 -0.26 0.00 0.00 58.87 56.67 1ivx n SER 409 Cb 0.60 1.14 -0.05 0.00 -0.26 0.00 0.00 64.21 65.64 1ivx n SER 409 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ivx s ALA 410 N -1.76 3.49 -0.27 7.33 0.00 -1.26 -0.63 121.76 128.65 1ivx s ALA 410 Ca 0.09 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 1ivx s ALA 410 Cb -0.01 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1ivx s ALA 410 CO 0.06 0.35 0.42 0.12 0.00 0.00 0.00 175.76 176.71 1ivx s PHE 411 N -1.98 3.25 0.49 0.00 5.36 0.11 -4.22 117.98 120.98 1ivx s PHE 411 Ca 0.49 0.45 -0.22 0.00 -0.96 0.00 0.00 56.93 56.69 1ivx s PHE 411 Cb -0.11 -2.64 -0.09 0.00 -0.34 0.00 0.00 43.02 39.85 1ivx s PHE 411 CO 0.23 -0.27 0.95 -2.30 -1.46 0.00 0.00 175.22 172.37 1ivx n PRO 412 N 5.42 1.13 0.21 10.12 -0.02 -1.26 -4.79 135.00 145.80 1ivx n PRO 412 Ca -0.07 0.42 -0.16 0.00 -2.02 0.00 0.00 63.50 61.67 1ivx n PRO 412 Cb 0.50 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 1ivx n PRO 412 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ivx h GLU 413 N 1.08 -0.77 -1.05 -0.52 4.57 -1.99 -2.22 114.58 113.69 1ivx h GLU 413 Ca -0.46 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1ivx h GLU 413 Cb 1.35 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 1ivx h GLU 413 CO 0.54 -0.51 0.00 0.41 -1.18 0.00 0.00 179.01 178.27 1ivx n GLY 414 N -1.50 1.78 0.47 1.92 0.00 -1.26 -4.98 105.19 101.62 1ivx n GLY 414 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1ivx n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ivx n GLY 415 N 0.46 -1.64 3.41 -0.02 0.00 -0.84 -5.02 105.19 101.54 1ivx n GLY 415 Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 1ivx n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ivx s SER 416 N -4.16 -0.50 0.00 1.61 0.15 -1.26 -4.66 113.70 104.88 1ivx s SER 416 Ca 0.00 0.74 0.28 0.00 0.70 0.00 0.00 55.95 57.66 1ivx s SER 416 Cb 0.00 0.75 0.96 0.00 -1.71 0.00 0.00 66.02 66.02 1ivx s SER 416 CO 0.00 -0.37 1.69 0.47 1.20 0.00 0.00 173.24 176.23 1ivx n ASP 417 N 1.89 1.58 0.00 5.45 8.00 -1.26 -4.12 116.55 128.09 1ivx n ASP 417 Ca -0.17 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1ivx n ASP 417 Cb 0.56 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1ivx n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ivx n ASN 418 N 0.20 0.39 -3.86 -2.24 4.13 -1.26 -5.05 115.26 107.57 1ivx n ASN 418 Ca 0.18 -1.16 -0.11 0.00 1.68 0.00 0.00 54.58 55.17 1ivx n ASN 418 Cb 0.37 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.51 1ivx n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ivx s ILE 419 N -0.16 0.06 0.23 2.41 1.01 -1.26 -1.20 121.20 122.29 1ivx s ILE 419 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 60.65 60.24 1ivx s ILE 419 Cb 0.00 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.05 1ivx s ILE 419 CO 0.00 -0.29 -0.21 -0.94 0.00 0.00 0.00 174.94 173.50 1ivx s SER 420 N -1.02 3.58 -0.12 3.58 1.04 -0.56 -4.48 113.70 115.71 1ivx s SER 420 Ca -0.11 -0.92 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 1ivx s SER 420 Cb -0.06 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1ivx s SER 420 CO 0.01 0.08 0.46 -1.58 0.98 0.00 0.00 173.24 173.20 1ivx s GLN 421 N -3.10 4.33 -0.14 4.02 0.74 -1.26 0.10 119.66 124.35 1ivx s GLN 421 Ca 0.26 0.43 0.12 0.00 0.05 0.00 0.00 55.36 56.21 1ivx s GLN 421 Cb -0.07 -3.44 -0.17 0.00 1.10 0.00 0.00 33.01 30.43 1ivx s GLN 421 CO 0.13 0.16 0.04 1.28 -0.55 0.00 0.00 175.29 176.35 1ivx n LEU 422 N 3.68 0.17 -3.95 3.68 4.77 -0.67 -4.54 117.00 120.14 1ivx n LEU 422 Ca -0.07 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1ivx n LEU 422 Cb 0.52 0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 1ivx n LEU 422 CO 0.43 0.38 0.31 0.00 -1.33 0.00 0.00 177.39 177.18 1ivx s ALA 423 N -2.35 -0.13 0.07 -1.18 0.00 -1.24 -4.83 121.76 112.10 1ivx s ALA 423 Ca -0.08 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.55 1ivx s ALA 423 Cb 0.04 0.95 -0.08 0.00 0.00 0.00 0.00 23.12 24.03 1ivx s ALA 423 CO 0.58 -0.89 1.70 -2.14 0.00 0.00 0.00 175.76 175.00 1ivx s PRO 424 N -3.07 4.18 0.00 0.00 0.02 -1.26 -2.29 135.00 132.59 1ivx s PRO 424 Ca 0.22 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1ivx s PRO 424 Cb -0.03 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.83 1ivx s PRO 424 CO 0.14 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 1ivx n GLY 425 N 4.07 2.48 3.70 0.52 0.00 -1.26 -4.64 105.19 110.06 1ivx n GLY 425 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1ivx n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ivx s LEU 426 N 0.00 4.26 0.36 0.99 2.96 -0.97 0.05 118.68 126.33 1ivx s LEU 426 Ca 0.00 1.00 0.09 0.00 -0.22 0.00 0.00 54.13 55.00 1ivx s LEU 426 Cb 0.00 -2.94 -0.06 0.00 0.50 0.00 0.00 46.19 43.69 1ivx s LEU 426 CO 0.00 -0.14 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.06 1ivx s GLY 427 N 0.87 2.22 -0.28 7.98 0.00 0.20 -1.67 107.32 116.64 1ivx s GLY 427 Ca 0.32 -2.08 -0.03 0.00 0.00 0.00 0.00 44.72 42.93 1ivx s GLY 427 CO 0.14 -1.98 0.16 0.00 0.00 0.00 0.00 173.10 171.42 1ivx s ALA 428 N -2.59 0.41 0.35 3.20 0.00 0.11 -1.98 121.76 121.26 1ivx s ALA 428 Ca 0.35 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1ivx s ALA 428 Cb 0.03 -1.43 -0.12 0.00 0.00 0.00 0.00 23.12 21.60 1ivx s ALA 428 CO 0.19 -1.62 1.45 -2.30 0.00 0.00 0.00 175.76 173.48 1ivx n PRO 429 N 5.26 2.51 -2.22 0.00 -0.02 -1.26 -1.50 135.00 137.77 1ivx n PRO 429 Ca -0.05 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 1ivx n PRO 429 Cb 0.43 -2.58 0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1ivx n PRO 429 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ivx s PHE 430 N -0.86 2.65 0.21 6.00 0.08 -0.34 -4.78 117.98 120.93 1ivx s PHE 430 Ca 0.56 1.54 -0.22 0.00 0.12 0.00 0.00 56.93 58.93 1ivx s PHE 430 Cb -0.51 -3.33 0.06 0.00 -0.57 0.00 0.00 43.02 38.67 1ivx s PHE 430 CO 0.60 -1.66 0.94 -3.38 -0.10 0.00 0.00 175.22 171.62 1ivx s HIS 431 N -1.72 -0.03 0.17 0.36 -3.43 -1.08 0.22 115.29 109.77 1ivx s HIS 431 Ca 0.72 -0.38 0.06 0.00 -0.80 0.00 0.00 55.06 54.67 1ivx s HIS 431 Cb -0.25 0.70 -0.04 0.00 -1.43 0.00 0.00 32.58 31.55 1ivx s HIS 431 CO 0.29 -1.01 -0.13 -0.65 -2.00 0.00 0.00 174.74 171.23 1ivx s GLN 432 N -2.82 1.18 -0.37 -0.38 -0.21 -0.60 -0.78 119.66 115.68 1ivx s GLN 432 Ca 0.16 -1.46 0.02 0.00 0.02 0.00 0.00 55.36 54.10 1ivx s GLN 432 Cb -0.03 -0.93 0.11 0.00 1.00 0.00 0.00 33.01 33.16 1ivx s GLN 432 CO 0.05 0.15 0.13 -1.01 -2.12 0.00 0.00 175.29 172.49 1ivx s HIS 433 N -2.84 2.55 -0.18 0.91 3.76 0.35 -3.15 115.29 116.69 1ivx s HIS 433 Ca 0.17 -2.42 -0.05 0.00 -0.15 0.00 0.00 55.06 52.62 1ivx s HIS 433 Cb -0.01 -2.24 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 1ivx s HIS 433 CO 0.04 -0.87 0.00 0.42 -0.85 0.00 0.00 174.74 173.49 1ivx s ILE 434 N 0.94 4.13 0.33 0.60 1.01 -0.03 -0.53 121.20 127.64 1ivx s ILE 434 Ca 0.13 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.59 1ivx s ILE 434 Cb -0.20 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1ivx s ILE 434 CO -0.12 0.46 0.26 -0.36 0.00 0.00 0.00 174.94 175.18 1ivx s PHE 435 N 0.64 2.90 -0.15 3.97 0.40 0.26 -0.62 117.98 125.38 1ivx s PHE 435 Ca -0.00 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1ivx s PHE 435 Cb -0.14 -1.73 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1ivx s PHE 435 CO 0.02 0.24 0.02 0.45 0.70 0.00 0.00 175.22 176.65 1ivx s SER 436 N -3.96 2.38 -0.19 1.36 0.15 -0.48 -2.16 113.70 110.80 1ivx s SER 436 Ca 0.40 -0.53 -0.16 0.00 0.70 0.00 0.00 55.95 56.36 1ivx s SER 436 Cb -0.06 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1ivx s SER 436 CO 0.26 -0.26 0.42 0.00 1.20 0.00 0.00 173.24 174.86 1ivx s ALA 437 N 1.90 3.55 -0.32 5.45 0.00 -0.47 -0.10 121.76 131.76 1ivx s ALA 437 Ca 0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 1ivx s ALA 437 Cb -0.15 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.32 1ivx s ALA 437 CO -0.07 -0.27 0.15 0.50 0.00 0.00 0.00 175.76 176.07 1ivx s ARG 438 N 1.24 3.25 -0.43 0.00 3.52 0.86 -1.21 118.95 126.18 1ivx s ARG 438 Ca 0.21 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 55.01 1ivx s ARG 438 Cb -0.15 -3.57 0.12 0.00 -1.56 0.00 0.00 34.95 29.79 1ivx s ARG 438 CO 0.08 -0.45 0.21 -0.51 -0.81 0.00 0.00 175.30 173.82 1ivx s LEU 439 N 1.59 5.15 -0.78 -0.88 1.43 0.17 -2.10 118.68 123.27 1ivx s LEU 439 Ca 0.04 -2.20 -0.26 0.00 -1.03 0.00 0.00 54.13 50.68 1ivx s LEU 439 Cb -0.17 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.29 1ivx s LEU 439 CO 0.06 -0.49 1.28 -0.62 0.23 0.00 0.00 176.35 176.81 1ivx s ASP 440 N 1.46 6.21 0.27 2.29 2.15 0.05 0.37 116.67 129.48 1ivx s ASP 440 Ca 0.10 -0.64 -0.29 0.00 0.43 0.00 0.00 52.55 52.15 1ivx s ASP 440 Cb -0.22 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 39.75 1ivx s ASP 440 CO -0.05 -1.76 1.23 -0.04 -0.17 0.00 0.00 175.17 174.39 1ivx s MET 441 N 5.50 4.46 -0.35 4.34 -1.94 -1.02 0.35 119.30 130.64 1ivx s MET 441 Ca 0.36 2.02 0.15 0.00 -1.71 0.00 0.00 55.69 56.51 1ivx s MET 441 Cb -0.07 -3.15 0.41 0.00 2.01 0.00 0.00 34.83 34.02 1ivx s MET 441 CO 0.11 -0.07 0.87 0.00 -0.01 0.00 0.00 175.02 175.91 1ivx n ALA 442 N 1.52 2.62 -1.79 3.03 0.00 -0.53 -4.56 120.51 120.79 1ivx n ALA 442 Ca 0.02 -3.16 -0.30 0.00 0.00 0.00 0.00 53.44 50.00 1ivx n ALA 442 Cb 0.43 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 1ivx n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ivx s ILE 443 N -2.63 3.19 -1.36 0.00 -1.09 -1.07 -2.30 121.20 115.94 1ivx s ILE 443 Ca 0.33 -0.02 -0.08 0.00 -2.23 0.00 0.00 60.65 58.65 1ivx s ILE 443 Cb 0.40 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.83 1ivx s ILE 443 CO -0.02 -0.45 1.08 0.47 -1.23 0.00 0.00 174.94 174.80 1ivx n ASP 444 N 15.30 -6.28 0.00 3.58 8.00 0.12 -4.43 116.55 132.84 1ivx n ASP 444 Ca 0.35 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1ivx n ASP 444 Cb 0.50 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 1ivx n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ivx n GLY 445 N -1.92 0.81 0.04 0.44 0.00 -0.97 -4.84 105.19 98.74 1ivx n GLY 445 Ca -0.01 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.92 1ivx n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ivx n PHE 446 N -0.48 0.34 -2.55 1.61 3.72 -1.26 -4.28 117.46 114.56 1ivx n PHE 446 Ca 0.00 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 57.09 1ivx n PHE 446 Cb 0.00 -0.65 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 1ivx n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ivx s THR 447 N -3.04 3.83 0.24 4.37 2.01 -1.26 -2.86 115.64 118.93 1ivx s THR 447 Ca 0.12 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1ivx s THR 447 Cb 0.16 -4.99 -0.05 0.00 0.01 0.00 0.00 72.50 67.63 1ivx s THR 447 CO 0.57 -1.90 -0.04 0.20 -0.69 0.00 0.00 174.62 172.75 1ivx s ASN 448 N 4.49 2.22 0.15 3.53 0.01 -0.29 -4.14 114.94 120.92 1ivx s ASN 448 Ca 0.42 -1.17 -0.07 0.00 -0.71 0.00 0.00 52.86 51.33 1ivx s ASN 448 Cb -0.03 -0.07 -0.02 0.00 0.41 0.00 0.00 41.25 41.54 1ivx s ASN 448 CO 0.01 -0.41 0.22 0.00 -1.51 0.00 0.00 177.10 175.41 1ivx s ARG 449 N -3.79 1.09 -0.03 -0.60 1.70 -0.14 -0.06 118.95 117.13 1ivx s ARG 449 Ca 0.27 -1.25 0.05 0.00 -0.47 0.00 0.00 55.73 54.33 1ivx s ARG 449 Cb 0.04 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1ivx s ARG 449 CO 0.09 -0.38 -0.17 0.08 -1.08 0.00 0.00 175.30 173.84 1ivx s VAL 450 N -3.99 1.35 0.01 4.99 1.01 -1.26 -1.40 120.40 121.11 1ivx s VAL 450 Ca 0.19 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1ivx s VAL 450 Cb 0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1ivx s VAL 450 CO 0.01 0.39 -0.19 -1.61 0.00 0.00 0.00 175.10 173.69 1ivx s GLU 451 N -0.16 1.43 -0.29 2.72 2.02 -0.23 -0.88 118.70 123.31 1ivx s GLU 451 Ca 0.01 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.10 1ivx s GLU 451 Cb -0.09 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1ivx s GLU 451 CO 0.01 0.38 0.29 -2.00 0.02 0.00 0.00 175.26 173.96 1ivx s GLU 452 N -0.75 3.87 -0.30 1.61 2.12 0.43 -0.51 118.70 125.17 1ivx s GLU 452 Ca 0.07 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.06 1ivx s GLU 452 Cb -0.08 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1ivx s GLU 452 CO 0.00 -0.29 0.14 -2.00 -0.54 0.00 0.00 175.26 172.57 1ivx s GLU 453 N 1.90 3.40 0.05 4.30 2.12 -0.14 -1.48 118.70 128.86 1ivx s GLU 453 Ca 0.10 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 54.81 1ivx s GLU 453 Cb -0.16 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1ivx s GLU 453 CO 0.11 -0.37 -0.09 -0.51 -0.54 0.00 0.00 175.26 173.85 1ivx s ASP 454 N 1.61 4.45 0.37 -1.70 1.01 -0.63 -1.71 116.67 120.07 1ivx s ASP 454 Ca 0.05 -0.28 -0.26 0.00 0.71 0.00 0.00 52.55 52.77 1ivx s ASP 454 Cb -0.17 -0.93 -0.09 0.00 1.01 0.00 0.00 42.92 42.75 1ivx s ASP 454 CO 0.06 0.23 1.13 -0.69 0.21 0.00 0.00 175.17 176.11 1ivx s VAL 455 N -1.09 3.34 -0.16 -1.27 1.01 0.36 -0.52 120.40 122.07 1ivx s VAL 455 Ca 0.19 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1ivx s VAL 455 Cb -0.11 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1ivx s VAL 455 CO 0.10 0.14 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 1ivx s VAL 456 N -1.39 2.18 0.02 2.92 1.01 -0.22 -4.81 120.40 120.12 1ivx s VAL 456 Ca 0.54 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1ivx s VAL 456 Cb -0.30 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1ivx s VAL 456 CO 0.37 0.54 0.53 -0.13 0.00 0.00 0.00 175.10 176.41 1ivx s ARG 457 N 1.04 4.17 0.08 2.72 0.52 -1.26 -0.19 118.95 126.03 1ivx s ARG 457 Ca -0.01 0.63 0.05 0.00 -0.52 0.00 0.00 55.73 55.88 1ivx s ARG 457 Cb -0.14 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 1ivx s ARG 457 CO -0.06 0.56 -0.04 -0.65 0.02 0.00 0.00 175.30 175.12 1ivx s GLN 458 N -0.78 2.42 0.14 3.54 -0.21 -1.23 -4.94 119.66 118.61 1ivx s GLN 458 Ca 0.28 -0.87 -0.27 0.00 0.02 0.00 0.00 55.36 54.51 1ivx s GLN 458 Cb -0.18 -2.47 -0.07 0.00 1.00 0.00 0.00 33.01 31.29 1ivx s GLN 458 CO 0.17 0.54 0.86 0.99 -2.12 0.00 0.00 175.29 175.72 1ivx s THR 459 N -1.23 4.41 0.19 -0.19 2.01 -1.26 -4.85 115.64 114.72 1ivx s THR 459 Ca 0.23 1.86 -0.31 0.00 0.31 0.00 0.00 61.69 63.78 1ivx s THR 459 Cb -0.11 -4.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.08 1ivx s THR 459 CO 0.15 0.43 1.51 -0.32 -0.69 0.00 0.00 174.62 175.70 1ivx s MET 460 N -0.64 4.24 0.00 4.92 1.75 -1.26 -4.76 119.30 123.55 1ivx s MET 460 Ca 0.40 2.32 0.00 0.00 -1.25 0.00 0.00 55.69 57.16 1ivx s MET 460 Cb -0.23 -3.15 0.00 0.00 2.84 0.00 0.00 34.83 34.29 1ivx s MET 460 CO 0.28 -0.53 0.00 0.41 -0.65 0.00 0.00 175.02 174.53 1ivx n GLY 461 N 3.18 -0.51 3.64 2.11 0.00 -0.01 -4.95 105.19 108.64 1ivx n GLY 461 Ca 0.11 -0.96 -0.47 0.00 0.00 0.00 0.00 46.02 44.70 1ivx n GLY 461 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ivx n PRO 462 N 0.00 1.71 -0.30 1.61 -0.02 -1.26 0.03 135.00 136.77 1ivx n PRO 462 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1ivx n PRO 462 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1ivx n PRO 462 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ivx n GLY 463 N 2.58 2.28 2.68 -1.23 0.00 -1.26 -4.71 105.19 105.53 1ivx n GLY 463 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1ivx n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ivx n ASN 464 N 0.00 -0.99 -0.32 1.61 5.15 0.10 -5.01 115.26 115.81 1ivx n ASN 464 Ca 0.00 -2.62 0.13 0.00 -0.60 0.00 0.00 54.58 51.49 1ivx n ASN 464 Cb 0.00 0.63 0.35 0.00 -0.53 0.00 0.00 39.78 40.24 1ivx n ASN 464 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1ivx h GLU 465 N 2.35 0.71 -0.01 1.20 3.07 -0.97 0.41 114.58 121.34 1ivx h GLU 465 Ca -0.21 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1ivx h GLU 465 Cb 1.25 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1ivx h GLU 465 CO 0.11 0.47 -0.04 0.54 -1.40 0.00 0.00 179.01 178.69 1ivx n ARG 466 N -4.64 1.40 -3.66 2.33 1.74 -1.26 -4.48 116.66 108.08 1ivx n ARG 466 Ca 0.20 -0.72 -0.21 0.00 -0.77 0.00 0.00 57.85 56.36 1ivx n ARG 466 Cb 0.53 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.52 1ivx n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ivx n GLY 467 N 1.18 -0.30 0.00 -0.13 0.00 -0.36 -4.90 105.19 100.68 1ivx n GLY 467 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1ivx n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ivx n ASN 468 N -3.07 0.18 -4.77 1.61 2.04 -1.26 -4.85 115.26 105.14 1ivx n ASN 468 Ca -0.30 -0.55 -0.39 0.00 -0.44 0.00 0.00 54.58 52.90 1ivx n ASN 468 Cb 0.68 0.69 -0.05 0.00 -2.53 0.00 0.00 39.78 38.57 1ivx n ASN 468 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ivx s ALA 469 N -0.69 3.29 -0.06 -2.53 0.00 -1.26 -5.05 121.76 115.46 1ivx s ALA 469 Ca 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 1ivx s ALA 469 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1ivx s ALA 469 CO 0.00 -0.10 0.20 -0.59 0.00 0.00 0.00 175.76 175.27 1ivx s PHE 470 N -1.35 -0.17 0.00 0.00 -0.12 -1.26 -3.49 117.98 111.59 1ivx s PHE 470 Ca 0.48 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.77 1ivx s PHE 470 Cb -0.27 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 1ivx s PHE 470 CO 0.34 -0.16 0.00 0.45 -0.05 0.00 0.00 175.22 175.80 1ivx n SER 471 N 2.56 1.68 -3.70 1.98 2.88 0.74 -4.98 113.62 114.78 1ivx n SER 471 Ca -0.15 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.25 1ivx n SER 471 Cb 0.58 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.96 1ivx n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ivx s ARG 472 N 1.10 0.80 0.08 -1.46 1.70 -1.26 -1.05 118.95 118.86 1ivx s ARG 472 Ca 0.00 -0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.14 1ivx s ARG 472 Cb 0.00 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1ivx s ARG 472 CO 0.00 -0.24 -0.12 -1.59 -1.08 0.00 0.00 175.30 172.27 1ivx s LYS 473 N -1.60 0.81 -0.07 3.89 -2.85 0.33 -4.80 119.74 115.44 1ivx s LYS 473 Ca -0.11 -1.04 0.01 0.00 -1.00 0.00 0.00 55.97 53.83 1ivx s LYS 473 Cb -0.03 -0.64 0.02 0.00 -2.06 0.00 0.00 37.83 35.11 1ivx s LYS 473 CO 0.04 0.12 -0.10 1.03 0.10 0.00 0.00 175.35 176.54 1ivx s ARG 474 N -2.24 1.52 -0.20 1.78 0.52 -1.26 -1.60 118.95 117.47 1ivx s ARG 474 Ca 0.01 -0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 54.88 1ivx s ARG 474 Cb -0.07 -1.36 -0.00 0.00 0.52 0.00 0.00 34.95 34.04 1ivx s ARG 474 CO 0.01 -0.07 -0.09 0.99 0.02 0.00 0.00 175.30 176.16 1ivx s THR 475 N 0.98 2.99 0.15 0.02 2.01 -0.55 -4.90 115.64 116.33 1ivx s THR 475 Ca -0.09 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 1ivx s THR 475 Cb -0.15 -2.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.97 1ivx s THR 475 CO 0.00 0.47 1.10 -0.69 -0.69 0.00 0.00 174.62 174.81 1ivx s VAL 476 N 1.29 3.99 -0.53 3.82 1.01 -1.26 -0.43 120.40 128.29 1ivx s VAL 476 Ca 0.04 1.65 -0.19 0.00 0.00 0.00 0.00 61.98 63.47 1ivx s VAL 476 Cb -0.14 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.26 1ivx s VAL 476 CO -0.05 0.25 0.64 -0.76 0.00 0.00 0.00 175.10 175.18 1ivx s LEU 477 N -0.06 5.15 -0.05 3.92 1.43 -0.06 -4.93 118.68 124.09 1ivx s LEU 477 Ca 0.51 -1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 1ivx s LEU 477 Cb -0.29 -2.38 -0.31 0.00 0.03 0.00 0.00 46.19 43.24 1ivx s LEU 477 CO 0.33 -0.95 0.76 0.71 0.23 0.00 0.00 176.35 177.43 1ivx h THR 478 N 5.88 1.16 -3.55 5.49 1.35 -1.91 -3.37 112.91 117.96 1ivx h THR 478 Ca -0.28 -2.52 -0.65 0.00 -0.55 0.00 0.00 66.41 62.40 1ivx h THR 478 Cb 1.09 2.91 -0.20 0.00 -1.73 0.00 0.00 68.15 70.22 1ivx h THR 478 CO 1.00 0.77 -0.84 -0.13 -0.25 0.00 0.00 175.52 176.07 1ivx s ARG 479 N -2.52 1.42 0.58 4.72 0.52 -1.26 -0.88 118.95 121.53 1ivx s ARG 479 Ca -0.15 -1.42 0.27 0.00 -0.52 0.00 0.00 55.73 53.91 1ivx s ARG 479 Cb 0.04 -1.80 1.58 0.00 0.52 0.00 0.00 34.95 35.28 1ivx s ARG 479 CO 0.84 0.41 2.07 0.93 0.02 0.00 0.00 175.30 179.57 1ivx h GLU 480 N 3.55 0.00 0.00 3.54 5.08 -1.48 -1.24 114.58 124.03 1ivx h GLU 480 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ivx h GLU 480 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ivx h GLU 480 CO 0.44 0.00 -0.01 0.77 -1.00 0.00 0.00 179.01 179.21 1ivx h SER 481 N 0.00 0.00 -0.07 1.42 0.02 -1.85 -2.38 113.55 110.68 1ivx h SER 481 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1ivx h SER 481 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1ivx h SER 481 CO -0.00 0.01 0.00 -1.84 -1.14 0.00 0.00 176.83 173.86 1ivx n GLU 482 N -3.15 2.73 -0.84 3.45 0.28 -0.48 -4.68 120.64 117.96 1ivx n GLU 482 Ca -0.02 -1.81 0.07 0.00 -0.16 0.00 0.00 57.16 55.24 1ivx n GLU 482 Cb 0.16 -1.15 0.38 0.00 1.43 0.00 0.00 31.44 32.26 1ivx n GLU 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ivx n ALA 483 N -0.45 3.79 -3.29 -1.84 0.00 -0.90 -4.80 120.51 113.03 1ivx n ALA 483 Ca 0.05 -1.78 -0.40 0.00 0.00 0.00 0.00 53.44 51.31 1ivx n ALA 483 Cb 0.36 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 1ivx n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ivx s VAL 484 N -2.63 4.18 0.21 0.00 1.01 -1.26 -1.66 120.40 120.25 1ivx s VAL 484 Ca 0.51 -1.39 0.10 0.00 0.00 0.00 0.00 61.98 61.20 1ivx s VAL 484 Cb 0.39 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1ivx s VAL 484 CO 0.15 -0.49 -0.16 -0.13 0.00 0.00 0.00 175.10 174.47 1ivx s ARG 485 N 1.42 1.79 0.27 2.72 1.81 0.12 -4.99 118.95 122.09 1ivx s ARG 485 Ca 0.03 -1.47 0.10 0.00 -1.72 0.00 0.00 55.73 52.67 1ivx s ARG 485 Cb -0.23 -1.96 -0.04 0.00 -0.45 0.00 0.00 34.95 32.26 1ivx s ARG 485 CO 0.02 0.40 -0.04 -1.83 -0.68 0.00 0.00 175.30 173.16 1ivx s GLU 486 N -2.95 2.17 0.72 3.54 -1.05 -1.26 -0.99 118.70 118.87 1ivx s GLU 486 Ca 0.25 -1.48 -0.12 0.00 -0.15 0.00 0.00 54.97 53.47 1ivx s GLU 486 Cb -0.08 -2.09 0.03 0.00 -0.44 0.00 0.00 34.13 31.56 1ivx s GLU 486 CO 0.13 0.36 1.08 0.00 0.95 0.00 0.00 175.26 177.79 1ivx s ALA 487 N -2.35 2.44 -0.47 -0.84 0.00 -1.26 -4.93 121.76 114.36 1ivx s ALA 487 Ca 0.31 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1ivx s ALA 487 Cb -0.06 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.99 1ivx s ALA 487 CO 0.19 -1.47 0.60 0.34 0.00 0.00 0.00 175.76 175.42 1ivx s ASP 488 N -3.33 -0.57 0.41 0.00 -1.08 -1.26 -5.02 116.67 105.82 1ivx s ASP 488 Ca 0.61 -1.89 0.07 0.00 -0.52 0.00 0.00 52.55 50.82 1ivx s ASP 488 Cb -0.17 1.26 0.85 0.00 -1.46 0.00 0.00 42.92 43.41 1ivx s ASP 488 CO 0.52 -0.11 2.06 0.00 0.52 0.00 0.00 175.17 178.15 1ivx h ALA 489 N 5.61 1.71 -0.69 3.66 0.00 -1.94 -1.64 119.26 125.97 1ivx h ALA 489 Ca 0.10 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ivx h ALA 489 Cb 1.07 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1ivx h ALA 489 CO 0.12 0.27 0.42 -0.09 0.00 0.00 0.00 179.25 179.97 1ivx h ARG 490 N 0.57 0.78 -0.72 0.00 2.43 -1.99 -1.79 114.38 113.67 1ivx h ARG 490 Ca 0.16 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 1ivx h ARG 490 Cb -0.06 -0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 29.22 1ivx h ARG 490 CO -0.03 0.52 0.21 0.25 -1.51 0.00 0.00 179.97 179.40 1ivx n THR 491 N -4.70 2.87 -2.95 0.20 -2.24 -1.15 -4.95 114.28 101.35 1ivx n THR 491 Ca 0.08 -1.54 -0.18 0.00 -2.27 0.00 0.00 64.05 60.14 1ivx n THR 491 Cb 0.12 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1ivx n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 492 N 0.06 -0.49 3.68 3.38 0.00 -0.67 -0.49 105.19 110.66 1ivx n GLY 492 Ca 0.37 0.05 -0.45 0.00 0.00 0.00 0.00 46.02 46.00 1ivx n GLY 492 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ivx n ARG 493 N -3.33 2.33 -4.31 1.61 0.63 -0.63 -4.63 116.66 108.34 1ivx n ARG 493 Ca -0.07 0.84 -0.21 0.00 -0.92 0.00 0.00 57.85 57.49 1ivx n ARG 493 Cb 0.57 -2.63 -0.08 0.00 0.45 0.00 0.00 32.46 30.77 1ivx n ARG 493 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1ivx n THR 494 N 3.58 0.00 -3.96 5.15 -2.24 -0.69 -4.74 114.28 111.39 1ivx n THR 494 Ca 0.17 -2.48 -0.17 0.00 -2.27 0.00 0.00 64.05 59.29 1ivx n THR 494 Cb 0.30 1.19 -0.16 0.00 -2.10 0.00 0.00 70.33 69.57 1ivx n THR 494 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ivx s TRP 495 N -3.35 0.36 -0.12 4.78 0.51 -1.20 -0.96 118.94 118.95 1ivx s TRP 495 Ca 0.38 -0.02 -0.02 0.00 -2.12 0.00 0.00 56.10 54.31 1ivx s TRP 495 Cb 0.02 -0.43 -0.03 0.00 -0.81 0.00 0.00 33.47 32.22 1ivx s TRP 495 CO 0.27 -0.13 -0.03 0.42 -0.51 0.00 0.00 176.95 176.97 1ivx s ILE 496 N 0.98 4.00 -0.27 2.03 1.01 0.34 0.16 121.20 129.45 1ivx s ILE 496 Ca -0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1ivx s ILE 496 Cb -0.14 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1ivx s ILE 496 CO -0.01 0.54 0.05 -0.63 0.00 0.00 0.00 174.94 174.89 1ivx s ILE 497 N -0.21 3.86 0.28 2.92 1.09 0.51 -1.07 121.20 128.57 1ivx s ILE 497 Ca 0.04 -0.58 0.07 0.00 -1.10 0.00 0.00 60.65 59.08 1ivx s ILE 497 Cb -0.13 -2.91 -0.06 0.00 -1.06 0.00 0.00 42.46 38.30 1ivx s ILE 497 CO 0.02 0.20 -0.07 -0.94 -0.10 0.00 0.00 174.94 174.05 1ivx s SER 498 N 1.51 2.85 -0.42 3.58 1.04 -0.50 -1.56 113.70 120.20 1ivx s SER 498 Ca 0.04 -1.17 -0.08 0.00 0.48 0.00 0.00 55.95 55.21 1ivx s SER 498 Cb -0.16 -0.18 0.09 0.00 0.10 0.00 0.00 66.02 65.86 1ivx s SER 498 CO 0.01 -0.30 0.25 0.21 0.98 0.00 0.00 173.24 174.39 1ivx s ASN 499 N -3.45 5.57 0.00 7.02 3.84 -0.82 -0.96 114.94 126.15 1ivx s ASN 499 Ca 0.29 -1.60 0.02 0.00 0.21 0.00 0.00 52.86 51.78 1ivx s ASN 499 Cb 0.03 -1.96 0.14 0.00 -0.55 0.00 0.00 41.25 38.91 1ivx s ASN 499 CO 0.12 -0.55 0.44 -0.81 -2.79 0.00 0.00 177.10 173.52 1ivx n PRO 500 N 4.87 0.23 0.00 0.43 -0.04 -1.26 -1.95 135.00 137.28 1ivx n PRO 500 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ivx n PRO 500 Cb 0.42 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1ivx n PRO 500 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ivx n GLU 501 N -0.66 0.61 -3.93 0.54 1.02 -1.26 -4.94 120.64 112.03 1ivx n GLU 501 Ca 0.02 -0.67 -0.30 0.00 -0.02 0.00 0.00 57.16 56.18 1ivx n GLU 501 Cb 0.01 -0.76 -0.16 0.00 -0.02 0.00 0.00 31.44 30.51 1ivx n GLU 501 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ivx s SER 502 N -0.28 3.71 0.06 1.62 0.15 -0.82 -5.10 113.70 113.04 1ivx s SER 502 Ca 0.00 -1.11 0.05 0.00 0.70 0.00 0.00 55.95 55.59 1ivx s SER 502 Cb 0.00 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.13 1ivx s SER 502 CO 0.00 -0.23 -0.04 -0.54 1.20 0.00 0.00 173.24 173.64 1ivx s LYS 503 N 1.43 2.49 0.83 5.44 1.02 -1.26 -0.55 119.74 129.14 1ivx s LYS 503 Ca -0.05 -0.82 -0.14 0.00 0.02 0.00 0.00 55.97 54.98 1ivx s LYS 503 Cb -0.18 -2.50 0.19 0.00 -0.52 0.00 0.00 37.83 34.82 1ivx s LYS 503 CO -0.06 0.56 1.13 0.27 -0.92 0.00 0.00 175.35 176.33 1ivx n ASN 504 N 0.91 0.09 0.21 2.83 0.23 0.38 -4.82 115.26 115.09 1ivx n ASN 504 Ca -0.13 -1.41 0.15 0.00 -0.53 0.00 0.00 54.58 52.66 1ivx n ASN 504 Cb 0.52 -0.87 0.73 0.00 -2.08 0.00 0.00 39.78 38.08 1ivx n ASN 504 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1ivx h ARG 505 N 0.00 0.00 -0.60 -3.83 0.11 -1.91 0.10 114.38 108.26 1ivx h ARG 505 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1ivx h ARG 505 Cb 1.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1ivx h ARG 505 CO 0.26 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.61 1ivx n LEU 506 N -2.53 3.45 -1.97 0.08 4.77 -1.26 -4.92 117.00 114.62 1ivx n LEU 506 Ca -0.01 -1.73 -0.16 0.00 -0.03 0.00 0.00 56.01 54.07 1ivx n LEU 506 Cb 0.11 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1ivx n LEU 506 CO 0.16 0.68 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.55 1ivx n ASN 507 N 0.93 -4.84 -4.48 -1.43 4.05 0.35 -5.04 115.26 104.80 1ivx n ASN 507 Ca 0.19 -0.07 -0.32 0.00 0.45 0.00 0.00 54.58 54.83 1ivx n ASN 507 Cb 0.62 -3.88 -0.13 0.00 1.23 0.00 0.00 39.78 37.62 1ivx n ASN 507 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1ivx s GLU 508 N -4.97 2.42 0.21 1.20 0.41 -1.26 -4.85 118.70 111.86 1ivx s GLU 508 Ca 0.07 -0.75 -0.32 0.00 -0.41 0.00 0.00 54.97 53.55 1ivx s GLU 508 Cb -0.03 -2.34 -0.13 0.00 -1.78 0.00 0.00 34.13 29.84 1ivx s GLU 508 CO 0.08 0.61 1.53 -2.30 -0.49 0.00 0.00 175.26 174.69 1ivx n PRO 509 N 2.14 2.22 -1.78 0.39 -0.02 -1.26 -0.47 135.00 136.21 1ivx n PRO 509 Ca -0.17 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.76 1ivx n PRO 509 Cb 0.52 -2.53 0.06 0.00 -0.02 0.00 0.00 33.50 31.53 1ivx n PRO 509 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ivx s VAL 510 N 0.49 2.58 0.28 -1.45 -7.23 0.28 -4.79 120.40 110.56 1ivx s VAL 510 Ca 0.73 0.32 -0.20 0.00 -1.81 0.00 0.00 61.98 61.03 1ivx s VAL 510 Cb -0.64 -3.00 0.05 0.00 0.56 0.00 0.00 36.38 33.36 1ivx s VAL 510 CO 0.43 -0.11 0.85 -0.83 -0.31 0.00 0.00 175.10 175.13 1ivx s GLY 511 N -1.85 0.12 -0.02 2.32 0.00 -1.01 -1.94 107.32 104.94 1ivx s GLY 511 Ca 0.75 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.05 1ivx s GLY 511 CO 0.38 0.36 -0.02 -0.19 0.00 0.00 0.00 173.10 173.63 1ivx s TYR 512 N -2.79 0.34 -0.18 1.90 1.51 -0.60 -0.57 117.35 116.96 1ivx s TYR 512 Ca 0.15 -0.04 -0.09 0.00 -1.01 0.00 0.00 57.07 56.08 1ivx s TYR 512 Cb -0.04 -0.33 -0.05 0.00 -0.11 0.00 0.00 41.96 41.43 1ivx s TYR 512 CO 0.08 -0.08 0.11 0.21 -1.11 0.00 0.00 175.55 174.76 1ivx s LYS 513 N 0.51 4.03 -0.26 -0.62 2.20 0.49 -0.36 119.74 125.72 1ivx s LYS 513 Ca -0.05 -0.24 -0.17 0.00 -0.36 0.00 0.00 55.97 55.15 1ivx s LYS 513 Cb -0.08 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1ivx s LYS 513 CO -0.01 0.36 0.49 -1.17 -0.36 0.00 0.00 175.35 174.66 1ivx s LEU 514 N 0.17 4.06 -0.35 5.43 2.96 0.12 -1.30 118.68 129.76 1ivx s LEU 514 Ca 0.08 0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 54.37 1ivx s LEU 514 Cb -0.11 -2.62 0.02 0.00 0.50 0.00 0.00 46.19 43.97 1ivx s LEU 514 CO -0.01 -0.26 0.18 -1.00 -1.32 0.00 0.00 176.35 173.95 1ivx s HIS 515 N 2.20 3.22 0.33 5.38 3.76 0.48 -3.26 115.29 127.41 1ivx s HIS 515 Ca 0.20 -0.83 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 1ivx s HIS 515 Cb -0.16 -2.40 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1ivx s HIS 515 CO 0.09 -0.58 0.58 0.00 -0.85 0.00 0.00 174.74 173.98 1ivx s ALA 516 N 1.57 3.63 -0.90 -1.40 0.00 -1.26 -2.27 121.76 121.13 1ivx s ALA 516 Ca 0.03 -0.69 0.28 0.00 0.00 0.00 0.00 51.96 51.57 1ivx s ALA 516 Cb -0.18 -2.25 1.00 0.00 0.00 0.00 0.00 23.12 21.68 1ivx s ALA 516 CO 0.06 0.07 1.80 0.72 0.00 0.00 0.00 175.76 178.42 1ivx n HIS 517 N -1.42 0.29 -3.13 0.00 8.25 -1.26 -4.94 115.22 113.02 1ivx n HIS 517 Ca -0.03 0.09 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 1ivx n HIS 517 Cb 0.55 -0.61 0.05 0.00 1.12 0.00 0.00 29.99 31.10 1ivx n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ivx n ASN 518 N -1.75 -6.00 -4.83 0.41 3.02 -1.26 -5.01 115.26 99.84 1ivx n ASN 518 Ca 0.06 -0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 53.96 1ivx n ASN 518 Cb 0.37 -4.76 0.02 0.00 -0.61 0.00 0.00 39.78 34.80 1ivx n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ivx s GLN 519 N -5.80 3.34 0.52 3.52 -1.52 -1.26 -4.98 119.66 113.47 1ivx s GLN 519 Ca 0.36 0.95 -0.23 0.00 -1.95 0.00 0.00 55.36 54.50 1ivx s GLN 519 Cb -0.16 -2.04 -0.06 0.00 -0.22 0.00 0.00 33.01 30.53 1ivx s GLN 519 CO 0.45 -0.78 1.39 -2.14 -0.25 0.00 0.00 175.29 173.96 1ivx s PRO 520 N -4.73 3.26 0.00 2.91 0.02 -1.26 -4.86 135.00 130.33 1ivx s PRO 520 Ca 0.58 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1ivx s PRO 520 Cb -0.13 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.03 1ivx s PRO 520 CO 0.47 -1.12 0.00 0.25 -0.33 0.00 0.00 177.00 176.28 1ivx n THR 521 N -0.83 0.00 -1.70 0.99 -2.24 -1.26 -4.55 114.28 104.69 1ivx n THR 521 Ca 0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 1ivx n THR 521 Cb 0.44 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.45 1ivx n THR 521 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ivx s LEU 522 N 0.00 4.41 0.10 3.22 2.96 0.95 -4.90 118.68 125.42 1ivx s LEU 522 Ca 0.00 2.75 0.15 0.00 -0.22 0.00 0.00 54.13 56.81 1ivx s LEU 522 Cb 0.00 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 43.02 1ivx s LEU 522 CO 0.00 -1.02 0.98 -0.07 -1.32 0.00 0.00 176.35 174.92 1ivx h LEU 523 N 9.01 0.00 -9.61 -0.68 3.38 -1.94 -3.46 115.31 112.02 1ivx h LEU 523 Ca -0.47 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 1ivx h LEU 523 Cb 1.22 0.00 0.19 0.00 0.09 0.00 0.00 40.66 42.16 1ivx h LEU 523 CO 0.95 0.65 -0.48 0.00 0.09 0.00 0.00 178.44 179.65 1ivx n ALA 524 N -2.37 -1.73 -1.72 1.53 0.00 -1.26 -4.88 120.51 110.08 1ivx n ALA 524 Ca -0.07 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1ivx n ALA 524 Cb 0.85 -1.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 1ivx n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ivx n ASP 525 N -0.09 3.05 -0.05 0.00 -0.08 -1.26 -4.87 116.55 113.25 1ivx n ASP 525 Ca 0.09 1.21 0.22 0.00 -1.51 0.00 0.00 54.79 54.80 1ivx n ASP 525 Cb 0.50 -1.53 0.70 0.00 2.34 0.00 0.00 41.12 43.13 1ivx n ASP 525 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ivx h PRO 526 N 2.62 0.00 -0.28 -0.67 0.13 -1.97 -0.34 132.00 131.50 1ivx h PRO 526 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ivx h PRO 526 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ivx h PRO 526 CO 0.63 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1ivx n GLY 527 N -1.66 0.47 3.83 1.56 0.00 -1.26 -4.53 105.19 103.60 1ivx n GLY 527 Ca 0.12 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1ivx n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ivx s SER 528 N -1.18 6.63 0.26 1.61 1.04 -0.14 -4.93 113.70 117.00 1ivx s SER 528 Ca 0.26 1.65 -0.01 0.00 0.48 0.00 0.00 55.95 58.32 1ivx s SER 528 Cb 0.13 -2.52 0.48 0.00 0.10 0.00 0.00 66.02 64.22 1ivx s SER 528 CO 0.19 -0.58 1.82 -1.28 0.98 0.00 0.00 173.24 174.37 1ivx h SER 529 N 1.20 0.79 -0.16 7.02 0.87 -1.90 -1.34 113.55 120.04 1ivx h SER 529 Ca -0.48 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.01 1ivx h SER 529 Cb 1.19 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1ivx h SER 529 CO 0.61 0.43 -0.32 -0.29 -0.53 0.00 0.00 176.83 176.72 1ivx h ILE 530 N 0.88 1.28 -0.91 2.23 6.09 -1.92 0.67 117.51 125.84 1ivx h ILE 530 Ca 0.45 -1.45 -0.01 0.00 -1.37 0.00 0.00 64.86 62.48 1ivx h ILE 530 Cb 0.44 1.40 -0.04 0.00 0.47 0.00 0.00 36.82 39.09 1ivx h ILE 530 CO -0.26 0.47 0.53 0.00 -3.07 0.00 0.00 178.15 175.81 1ivx h ALA 531 N 1.09 1.16 -0.08 0.18 0.00 -1.50 0.28 119.26 120.38 1ivx h ALA 531 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ivx h ALA 531 Cb 0.83 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ivx h ALA 531 CO 0.07 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.79 1ivx h ARG 532 N 1.25 0.25 -0.03 0.00 2.47 -1.04 -1.55 114.38 115.73 1ivx h ARG 532 Ca 0.32 -0.16 -0.12 0.00 -1.26 0.00 0.00 59.98 58.76 1ivx h ARG 532 Cb -0.02 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1ivx h ARG 532 CO -0.06 0.75 -0.53 0.00 0.56 0.00 0.00 179.97 180.70 1ivx h ARG 533 N -0.23 0.09 -1.58 0.04 3.08 -0.69 -3.24 114.38 111.85 1ivx h ARG 533 Ca 0.00 -0.05 -0.60 0.00 0.07 0.00 0.00 59.98 59.40 1ivx h ARG 533 Cb 0.75 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.39 1ivx h ARG 533 CO 0.04 0.60 -0.66 0.00 -1.07 0.00 0.00 179.97 178.87 1ivx n ALA 534 N -2.45 5.10 0.27 0.04 0.00 0.96 -4.84 120.51 119.59 1ivx n ALA 534 Ca -0.02 -4.35 0.10 0.00 0.00 0.00 0.00 53.44 49.18 1ivx n ALA 534 Cb 0.55 -0.61 0.73 0.00 0.00 0.00 0.00 19.45 20.12 1ivx n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivx h ALA 535 N 2.62 1.80 -0.11 0.00 0.00 -1.30 -1.64 119.26 120.63 1ivx h ALA 535 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ivx h ALA 535 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ivx h ALA 535 CO 0.87 0.02 -0.02 0.27 0.00 0.00 0.00 179.25 180.39 1ivx h PHE 536 N 0.00 0.16 0.00 0.00 -0.00 -1.85 -2.52 116.94 112.73 1ivx h PHE 536 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1ivx h PHE 536 Cb 0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 35.93 1ivx h PHE 536 CO 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 178.31 178.50 1ivx n ALA 537 N -2.51 2.04 1.13 12.09 0.00 -0.61 -3.06 120.51 129.58 1ivx n ALA 537 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1ivx n ALA 537 Cb 0.16 -1.35 0.47 0.00 0.00 0.00 0.00 19.45 18.73 1ivx n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ivx n THR 538 N -1.42 0.00 -4.05 0.00 -2.24 -0.95 -0.04 114.28 105.58 1ivx n THR 538 Ca 0.07 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1ivx n THR 538 Cb 0.22 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 1ivx n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ivx s LYS 539 N -2.83 0.49 0.12 -0.78 -0.14 -1.17 -4.73 119.74 110.70 1ivx s LYS 539 Ca 0.18 -0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 54.01 1ivx s LYS 539 Cb 0.19 -0.24 -0.13 0.00 -1.68 0.00 0.00 37.83 35.96 1ivx s LYS 539 CO 0.58 0.04 1.27 -0.44 -0.76 0.00 0.00 175.35 176.04 1ivx h ASP 540 N 4.60 0.61 -3.68 2.83 5.19 -1.71 -3.38 116.42 120.88 1ivx h ASP 540 Ca -0.35 -0.50 -0.23 0.00 -0.62 0.00 0.00 57.03 55.33 1ivx h ASP 540 Cb 1.20 -0.19 -0.29 0.00 0.18 0.00 0.00 39.33 40.24 1ivx h ASP 540 CO 0.41 1.30 -0.66 -0.22 -3.12 0.00 0.00 179.24 176.95 1ivx s LEU 541 N -7.79 1.55 0.02 1.55 2.96 -0.16 -1.13 118.68 115.67 1ivx s LEU 541 Ca -0.07 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1ivx s LEU 541 Cb 0.08 0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 1ivx s LEU 541 CO 0.88 -0.05 -0.09 0.26 -1.32 0.00 0.00 176.35 176.02 1ivx s TRP 542 N 0.33 0.82 -0.08 5.38 0.52 -0.23 0.15 118.94 125.83 1ivx s TRP 542 Ca -0.02 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 55.84 1ivx s TRP 542 Cb -0.04 -0.50 0.01 0.00 -1.15 0.00 0.00 33.47 31.79 1ivx s TRP 542 CO -0.01 -0.02 -0.12 0.08 0.02 0.00 0.00 176.95 176.90 1ivx s VAL 543 N -0.62 1.18 0.28 4.03 1.01 -0.67 -0.06 120.40 125.55 1ivx s VAL 543 Ca -0.00 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1ivx s VAL 543 Cb -0.06 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1ivx s VAL 543 CO 0.00 0.37 -0.05 0.42 0.00 0.00 0.00 175.10 175.84 1ivx s THR 544 N 0.85 1.62 -0.03 3.92 -4.23 -0.43 -4.73 115.64 112.61 1ivx s THR 544 Ca -0.11 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.04 1ivx s THR 544 Cb -0.15 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1ivx s THR 544 CO 0.01 -0.28 0.76 -0.60 -0.54 0.00 0.00 174.62 173.97 1ivx s ARG 545 N -3.73 4.47 0.32 3.99 6.06 -1.26 -0.78 118.95 128.01 1ivx s ARG 545 Ca 0.30 1.01 -0.29 0.00 -2.50 0.00 0.00 55.73 54.25 1ivx s ARG 545 Cb 0.04 -3.43 -0.12 0.00 0.06 0.00 0.00 34.95 31.49 1ivx s ARG 545 CO 0.12 0.09 1.36 0.98 -2.50 0.00 0.00 175.30 175.36 1ivx n TYR 546 N 3.59 2.37 -3.67 5.12 4.19 -0.33 -4.84 117.16 123.59 1ivx n TYR 546 Ca -0.00 0.49 -0.10 0.00 3.31 0.00 0.00 57.90 61.59 1ivx n TYR 546 Cb 0.51 -2.45 -0.11 0.00 0.49 0.00 0.00 39.34 37.78 1ivx n TYR 546 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ivx s ALA 547 N -0.74 -0.95 0.27 2.98 0.00 -1.26 -5.02 121.76 117.05 1ivx s ALA 547 Ca 0.59 1.34 0.23 0.00 0.00 0.00 0.00 51.96 54.12 1ivx s ALA 547 Cb -0.57 -1.10 1.25 0.00 0.00 0.00 0.00 23.12 22.70 1ivx s ALA 547 CO 0.58 -0.56 1.66 0.38 0.00 0.00 0.00 175.76 177.82 1ivx h ASP 548 N 7.85 0.00 -0.02 0.00 -0.00 -2.04 -0.96 116.42 121.25 1ivx h ASP 548 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.80 1ivx h ASP 548 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.46 1ivx h ASP 548 CO 0.19 0.00 -0.28 -0.90 -0.00 0.00 0.00 179.24 178.25 1ivx n ASP 549 N -2.47 2.40 -4.32 4.15 5.75 -1.26 -4.73 116.55 116.08 1ivx n ASP 549 Ca -0.02 -1.70 -0.47 0.00 -0.01 0.00 0.00 54.79 52.60 1ivx n ASP 549 Cb 0.28 0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 40.63 1ivx n ASP 549 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1ivx s GLU 550 N -2.29 3.50 -0.10 0.11 2.02 -0.37 -4.84 118.70 116.74 1ivx s GLU 550 Ca 0.22 -2.38 0.08 0.00 0.02 0.00 0.00 54.97 52.92 1ivx s GLU 550 Cb 0.19 -4.39 -0.12 0.00 0.10 0.00 0.00 34.13 29.91 1ivx s GLU 550 CO 0.46 -1.29 0.02 0.54 0.02 0.00 0.00 175.26 175.01 1ivx n ARG 551 N 4.11 2.18 -4.45 1.61 1.74 -1.26 -4.76 116.66 115.83 1ivx n ARG 551 Ca 0.10 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1ivx n ARG 551 Cb 0.46 -1.25 -0.13 0.00 -1.02 0.00 0.00 32.46 30.51 1ivx n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ivx s TYR 552 N -2.24 1.54 -0.63 -1.55 2.02 -1.26 -4.90 117.35 110.33 1ivx s TYR 552 Ca -0.06 -0.38 0.21 0.00 -0.37 0.00 0.00 57.07 56.47 1ivx s TYR 552 Cb 0.03 -0.90 0.88 0.00 -0.40 0.00 0.00 41.96 41.57 1ivx s TYR 552 CO 0.39 0.08 1.65 -0.35 -1.57 0.00 0.00 175.55 175.75 1ivx n PRO 553 N 1.72 0.14 0.00 -1.71 -0.04 -1.26 -2.57 135.00 131.28 1ivx n PRO 553 Ca -0.18 0.37 0.04 0.00 -0.04 0.00 0.00 63.50 63.69 1ivx n PRO 553 Cb 0.54 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1ivx n PRO 553 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ivx n THR 554 N -2.03 0.00 0.00 0.52 -2.24 -1.26 -1.44 114.28 107.83 1ivx n THR 554 Ca 0.03 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1ivx n THR 554 Cb 0.22 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1ivx n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 555 N 0.81 0.56 0.13 3.38 0.00 -1.06 -4.10 105.19 104.91 1ivx n GLY 555 Ca 0.04 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 1ivx n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ivx h ASP 556 N 0.00 0.31 -3.77 1.61 3.32 -1.92 -3.42 116.42 112.55 1ivx h ASP 556 Ca 0.00 -0.24 -0.62 0.00 0.02 0.00 0.00 57.03 56.18 1ivx h ASP 556 Cb 0.00 -0.09 -0.40 0.00 0.22 0.00 0.00 39.33 39.05 1ivx h ASP 556 CO 0.00 1.04 -0.70 -0.36 -1.72 0.00 0.00 179.24 177.50 1ivx s PHE 557 N -3.25 2.54 0.00 4.55 0.08 -1.26 -4.96 117.98 115.68 1ivx s PHE 557 Ca -0.03 -2.66 -0.08 0.00 0.12 0.00 0.00 56.93 54.27 1ivx s PHE 557 Cb 0.10 -2.29 -0.31 0.00 -0.57 0.00 0.00 43.02 39.95 1ivx s PHE 557 CO 0.83 -0.80 0.86 0.28 -0.10 0.00 0.00 175.22 176.30 1ivx h VAL 558 N 5.61 1.15 -1.68 -0.44 2.07 -1.80 -3.41 116.25 117.75 1ivx h VAL 558 Ca -0.05 -2.72 -0.69 0.00 0.82 0.00 0.00 66.70 64.06 1ivx h VAL 558 Cb 0.94 2.85 0.01 0.00 -1.52 0.00 0.00 31.29 33.56 1ivx h VAL 558 CO 0.55 0.84 1.01 -3.20 0.02 0.00 0.00 177.57 176.79 1ivx n ASN 559 N -3.56 2.75 -2.97 0.57 5.15 -1.25 -1.10 115.26 114.84 1ivx n ASN 559 Ca -0.18 1.00 -0.17 0.00 -0.60 0.00 0.00 54.58 54.62 1ivx n ASN 559 Cb 1.07 -1.23 -0.01 0.00 -0.53 0.00 0.00 39.78 39.08 1ivx n ASN 559 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ivx n GLN 560 N 6.04 -2.91 -4.12 1.20 6.02 -1.26 -1.23 117.38 121.11 1ivx n GLN 560 Ca 0.26 0.46 -0.34 0.00 -0.01 0.00 0.00 57.00 57.37 1ivx n GLN 560 Cb 0.19 -5.11 -0.10 0.00 1.02 0.00 0.00 30.24 26.24 1ivx n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ivx s HIS 561 N -2.73 3.21 0.18 1.08 2.46 -0.26 -4.63 115.29 114.59 1ivx s HIS 561 Ca 0.23 0.02 -0.03 0.00 0.47 0.00 0.00 55.06 55.75 1ivx s HIS 561 Cb -0.12 -2.02 0.04 0.00 -0.13 0.00 0.00 32.58 30.36 1ivx s HIS 561 CO 0.28 0.16 0.16 0.45 -2.47 0.00 0.00 174.74 173.32 1ivx n SER 562 N 3.34 -1.18 -2.35 9.88 2.88 -1.26 -4.86 113.62 120.08 1ivx n SER 562 Ca -0.17 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1ivx n SER 562 Cb 0.52 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1ivx n SER 562 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ivx n GLY 563 N 1.41 -1.88 0.00 0.46 0.00 -1.26 -4.61 105.19 99.30 1ivx n GLY 563 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1ivx n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ivx n GLY 564 N 3.53 0.78 2.68 -0.02 0.00 -1.26 -5.05 105.19 105.84 1ivx n GLY 564 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1ivx n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx n ALA 565 N -1.52 0.40 -0.34 4.61 0.00 -1.26 -4.85 120.51 117.56 1ivx n ALA 565 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.77 1ivx n ALA 565 Cb 0.00 1.04 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1ivx n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivx n GLY 566 N 0.07 -1.22 0.36 0.00 0.00 -1.26 -4.37 105.19 98.77 1ivx n GLY 566 Ca -0.09 -1.22 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1ivx n GLY 566 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ivx h LEU 567 N 0.00 -0.95 -1.90 0.99 3.38 -1.48 -0.34 115.31 115.01 1ivx h LEU 567 Ca 0.00 0.30 0.10 0.00 0.09 0.00 0.00 57.88 58.37 1ivx h LEU 567 Cb 0.00 0.62 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1ivx h LEU 567 CO 0.00 -0.32 0.30 -0.65 0.09 0.00 0.00 178.44 177.86 1ivx h PRO 568 N -0.00 0.11 0.07 1.13 0.11 -1.86 -0.14 132.00 131.42 1ivx h PRO 568 Ca 0.46 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 66.26 1ivx h PRO 568 Cb 0.71 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1ivx h PRO 568 CO -1.01 0.07 -1.62 0.66 -0.21 0.00 0.00 178.00 175.88 1ivx h SER 569 N 0.11 0.25 0.29 -2.05 4.64 -1.27 -3.04 113.55 112.48 1ivx h SER 569 Ca 0.20 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1ivx h SER 569 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1ivx h SER 569 CO -0.02 1.35 -0.14 1.88 -0.87 0.00 0.00 176.83 179.03 1ivx h TYR 570 N 0.04 -0.37 -0.96 4.77 0.05 -1.03 -3.03 116.97 116.44 1ivx h TYR 570 Ca -0.27 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 58.66 1ivx h TYR 570 Cb 2.00 0.12 -0.09 0.00 1.01 0.00 0.00 36.73 39.77 1ivx h TYR 570 CO 0.04 -0.17 0.61 0.82 -1.05 0.00 0.00 178.16 178.41 1ivx h ILE 571 N -0.48 0.81 -0.02 -2.88 1.08 -1.18 -1.54 117.51 113.30 1ivx h ILE 571 Ca -0.04 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1ivx h ILE 571 Cb 0.36 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1ivx h ILE 571 CO 0.07 0.14 0.09 0.00 -0.69 0.00 0.00 178.15 177.76 1ivx h ALA 572 N 1.59 1.19 0.00 1.87 0.00 -1.40 0.10 119.26 122.62 1ivx h ALA 572 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1ivx h ALA 572 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ivx h ALA 572 CO -0.27 -0.10 0.00 1.96 0.00 0.00 0.00 179.25 180.84 1ivx h GLN 573 N 0.00 0.00 -6.58 0.00 4.20 -1.38 -3.46 115.11 107.89 1ivx h GLN 573 Ca 0.01 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.20 1ivx h GLN 573 Cb 0.19 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.87 1ivx h GLN 573 CO -0.00 0.00 -0.87 -3.47 -0.67 0.00 0.00 178.83 173.82 1ivx n ASP 574 N -2.88 -1.14 -4.46 1.46 2.03 0.36 -4.94 116.55 106.98 1ivx n ASP 574 Ca -0.01 -1.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.00 1ivx n ASP 574 Cb 0.18 -2.94 0.17 0.00 -0.72 0.00 0.00 41.12 37.82 1ivx n ASP 574 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ivx s ARG 575 N -6.69 0.39 -0.19 -0.67 0.52 -1.26 -4.45 118.95 106.59 1ivx s ARG 575 Ca 0.21 0.15 -0.23 0.00 -0.52 0.00 0.00 55.73 55.34 1ivx s ARG 575 Cb -0.11 -1.76 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1ivx s ARG 575 CO 0.90 -2.68 0.72 0.34 0.02 0.00 0.00 175.30 174.61 1ivx s ASP 576 N -4.01 6.80 0.00 0.23 2.15 -1.26 -1.48 116.67 119.10 1ivx s ASP 576 Ca 0.67 0.98 0.04 0.00 0.43 0.00 0.00 52.55 54.67 1ivx s ASP 576 Cb -0.13 -2.40 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1ivx s ASP 576 CO 0.55 -0.34 0.68 2.30 -0.17 0.00 0.00 175.17 178.19 1ivx n ILE 577 N 4.77 0.11 -2.67 4.11 -5.35 -0.06 -4.75 119.36 115.51 1ivx n ILE 577 Ca 0.01 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.52 1ivx n ILE 577 Cb 0.49 1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 39.40 1ivx n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ivx s ASP 578 N -0.42 6.61 0.00 7.28 -1.08 -1.13 -3.81 116.67 124.12 1ivx s ASP 578 Ca 0.05 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.26 1ivx s ASP 578 Cb 0.04 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1ivx s ASP 578 CO 0.05 -1.31 0.00 0.61 0.52 0.00 0.00 175.17 175.04 1ivx n GLY 579 N 6.18 0.58 3.34 2.66 0.00 0.92 -4.95 105.19 113.91 1ivx n GLY 579 Ca 0.34 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1ivx n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ivx s GLN 580 N -2.93 1.74 -0.45 1.61 -1.52 0.13 -4.46 119.66 113.78 1ivx s GLN 580 Ca 0.00 -2.02 -0.29 0.00 -1.95 0.00 0.00 55.36 51.10 1ivx s GLN 580 Cb 0.00 0.07 0.02 0.00 -0.22 0.00 0.00 33.01 32.88 1ivx s GLN 580 CO 0.00 -0.58 1.33 0.34 -0.25 0.00 0.00 175.29 176.13 1ivx s ASP 581 N -3.41 6.41 0.28 5.90 -1.08 -1.13 -1.14 116.67 122.50 1ivx s ASP 581 Ca 0.36 0.66 0.07 0.00 -0.52 0.00 0.00 52.55 53.12 1ivx s ASP 581 Cb 0.03 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.89 1ivx s ASP 581 CO 0.23 -1.40 -0.07 0.27 0.52 0.00 0.00 175.17 174.71 1ivx s ILE 582 N 5.18 1.69 -0.04 4.11 -4.36 -1.26 -1.18 121.20 125.34 1ivx s ILE 582 Ca 0.56 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1ivx s ILE 582 Cb -0.11 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.18 1ivx s ILE 582 CO 0.32 -0.31 -0.07 -0.69 0.24 0.00 0.00 174.94 174.43 1ivx s VAL 583 N -2.98 0.67 -0.20 8.37 1.01 0.04 -2.44 120.40 124.88 1ivx s VAL 583 Ca 0.29 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1ivx s VAL 583 Cb 0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ivx s VAL 583 CO 0.12 0.24 0.08 -0.69 0.00 0.00 0.00 175.10 174.86 1ivx s VAL 584 N 0.66 4.91 -0.30 2.92 1.01 0.16 -1.32 120.40 128.44 1ivx s VAL 584 Ca -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1ivx s VAL 584 Cb -0.13 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.06 1ivx s VAL 584 CO 0.01 0.43 0.01 0.26 0.00 0.00 0.00 175.10 175.81 1ivx s TRP 585 N 0.54 3.23 -0.22 5.22 0.52 0.91 0.44 118.94 129.59 1ivx s TRP 585 Ca 0.04 -1.72 -0.07 0.00 0.02 0.00 0.00 56.10 54.37 1ivx s TRP 585 Cb -0.13 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1ivx s TRP 585 CO 0.01 -0.77 0.05 -1.58 0.02 0.00 0.00 176.95 174.68 1ivx s HIS 586 N 1.30 3.10 -0.17 -1.98 2.46 -0.35 -1.07 115.29 118.58 1ivx s HIS 586 Ca -0.04 -0.33 -0.19 0.00 0.47 0.00 0.00 55.06 54.97 1ivx s HIS 586 Cb -0.19 -2.17 -0.03 0.00 -0.13 0.00 0.00 32.58 30.06 1ivx s HIS 586 CO -0.01 -0.23 0.54 0.99 -2.47 0.00 0.00 174.74 173.56 1ivx s THR 587 N 1.22 5.11 -0.14 0.89 2.01 -0.28 -1.37 115.64 123.07 1ivx s THR 587 Ca 0.04 1.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.98 1ivx s THR 587 Cb -0.14 -3.87 0.05 0.00 0.01 0.00 0.00 72.50 68.54 1ivx s THR 587 CO 0.03 0.20 0.34 0.72 -0.69 0.00 0.00 174.62 175.23 1ivx s PHE 588 N 1.40 -0.45 0.33 4.92 -0.71 -0.92 -4.67 117.98 117.88 1ivx s PHE 588 Ca 0.26 1.03 -0.16 0.00 -1.04 0.00 0.00 56.93 57.02 1ivx s PHE 588 Cb -0.16 0.16 0.03 0.00 -1.21 0.00 0.00 43.02 41.85 1ivx s PHE 588 CO 0.10 -0.26 0.70 0.20 -1.34 0.00 0.00 175.22 174.63 1ivx s GLY 589 N 0.92 0.35 -0.13 1.99 0.00 -1.26 -0.58 107.32 108.61 1ivx s GLY 589 Ca -0.06 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 43.90 1ivx s GLY 589 CO -0.07 -0.34 0.08 1.08 0.00 0.00 0.00 173.10 173.85 1ivx s LEU 590 N -3.03 4.02 -0.35 0.66 1.43 0.31 -4.66 118.68 117.06 1ivx s LEU 590 Ca 0.16 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1ivx s LEU 590 Cb -0.04 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1ivx s LEU 590 CO 0.11 0.32 0.14 -0.89 0.23 0.00 0.00 176.35 176.26 1ivx s THR 591 N -0.51 4.14 -0.35 5.49 2.01 -1.26 -0.49 115.64 124.67 1ivx s THR 591 Ca 0.11 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 61.06 1ivx s THR 591 Cb -0.12 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1ivx s THR 591 CO 0.02 -0.16 0.19 -2.28 -0.69 0.00 0.00 174.62 171.70 1ivx s HIS 592 N 1.48 3.22 -0.59 4.92 2.46 0.04 -5.02 115.29 121.80 1ivx s HIS 592 Ca 0.01 -0.83 -0.08 0.00 0.47 0.00 0.00 55.06 54.63 1ivx s HIS 592 Cb -0.19 -2.41 0.15 0.00 -0.13 0.00 0.00 32.58 30.01 1ivx s HIS 592 CO 0.04 -0.58 0.45 -0.06 -2.47 0.00 0.00 174.74 172.13 1ivx s PHE 593 N 1.57 3.50 0.42 3.88 0.08 -1.26 -2.64 117.98 123.53 1ivx s PHE 593 Ca 0.03 -2.22 -0.23 0.00 0.12 0.00 0.00 56.93 54.62 1ivx s PHE 593 Cb -0.18 -3.44 -0.11 0.00 -0.57 0.00 0.00 43.02 38.71 1ivx s PHE 593 CO 0.06 -0.94 0.76 -2.30 -0.10 0.00 0.00 175.22 172.70 1ivx n PRO 594 N 4.22 0.89 -4.36 0.24 -0.02 -1.26 -5.00 135.00 129.71 1ivx n PRO 594 Ca 0.02 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.64 1ivx n PRO 594 Cb 0.41 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 1ivx n PRO 594 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ivx s ARG 595 N -1.81 1.36 0.45 -0.52 1.70 -1.26 -4.78 118.95 114.09 1ivx s ARG 595 Ca 0.64 -1.63 0.24 0.00 -0.47 0.00 0.00 55.73 54.51 1ivx s ARG 595 Cb -0.58 -1.09 1.24 0.00 -0.57 0.00 0.00 34.95 33.95 1ivx s ARG 595 CO 0.57 0.14 1.80 0.28 -1.08 0.00 0.00 175.30 177.01 1ivx h VAL 596 N 2.51 0.51 0.00 4.99 2.07 -1.88 0.38 116.25 124.82 1ivx h VAL 596 Ca -0.38 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ivx h VAL 596 Cb 1.22 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ivx h VAL 596 CO 0.63 0.05 0.00 -0.62 0.02 0.00 0.00 177.57 177.65 1ivx n GLU 597 N -4.48 0.14 0.06 1.57 4.71 -1.26 -1.80 120.64 119.58 1ivx n GLU 597 Ca 0.24 0.41 0.13 0.00 -0.01 0.00 0.00 57.16 57.93 1ivx n GLU 597 Cb 0.96 -1.79 0.37 0.00 -1.01 0.00 0.00 31.44 29.97 1ivx n GLU 597 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ivx n ASP 598 N -2.06 0.59 -4.76 1.62 8.00 0.13 -4.49 116.55 115.57 1ivx n ASP 598 Ca 0.02 0.36 -0.35 0.00 0.71 0.00 0.00 54.79 55.53 1ivx n ASP 598 Cb 0.19 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1ivx n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1ivx s TRP 599 N -3.09 3.31 -0.62 1.24 -0.11 -0.75 -1.69 118.94 117.23 1ivx s TRP 599 Ca 0.10 0.27 0.25 0.00 1.22 0.00 0.00 56.10 57.95 1ivx s TRP 599 Cb 0.14 -1.80 0.61 0.00 -1.50 0.00 0.00 33.47 30.92 1ivx s TRP 599 CO 0.63 0.56 1.67 -1.00 -4.62 0.00 0.00 176.95 174.19 1ivx h PRO 600 N 4.72 0.00 -3.53 5.86 0.13 -1.87 -3.48 132.00 133.83 1ivx h PRO 600 Ca -0.51 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.31 1ivx h PRO 600 Cb 1.20 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.98 1ivx h PRO 600 CO 0.58 0.00 -0.73 -1.50 -0.23 0.00 0.00 178.00 176.12 1ivx s ILE 601 N -3.15 -0.03 0.21 -3.56 2.07 -1.20 -4.76 121.20 110.78 1ivx s ILE 601 Ca 0.09 0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.24 1ivx s ILE 601 Cb 0.10 -0.11 -0.08 0.00 0.13 0.00 0.00 42.46 42.50 1ivx s ILE 601 CO 0.63 0.10 0.97 0.00 -1.91 0.00 0.00 174.94 174.74 1ivx s MET 602 N 1.15 4.78 0.43 3.50 0.23 -0.52 -4.77 119.30 124.09 1ivx s MET 602 Ca -0.08 1.52 -0.23 0.00 -1.03 0.00 0.00 55.69 55.87 1ivx s MET 602 Cb -0.13 -3.30 -0.09 0.00 -1.53 0.00 0.00 34.83 29.79 1ivx s MET 602 CO -0.03 0.39 1.05 -2.14 -2.03 0.00 0.00 175.02 172.26 1ivx s PRO 603 N -0.85 4.03 0.18 3.16 0.02 -1.26 -4.21 135.00 136.05 1ivx s PRO 603 Ca 0.43 1.48 -0.33 0.00 0.02 0.00 0.00 61.00 62.60 1ivx s PRO 603 Cb -0.26 -2.39 -0.14 0.00 0.02 0.00 0.00 34.50 31.72 1ivx s PRO 603 CO 0.32 -0.25 1.46 0.28 -0.33 0.00 0.00 177.00 178.48 1ivx n VAL 604 N -0.37 0.37 -4.39 3.83 0.31 -1.26 -4.81 118.33 112.01 1ivx n VAL 604 Ca 0.06 -0.09 -0.27 0.00 -0.01 0.00 0.00 64.34 64.03 1ivx n VAL 604 Cb 0.50 -1.37 -0.11 0.00 -0.91 0.00 0.00 33.84 31.95 1ivx n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ivx s ASP 605 N 0.58 3.59 0.15 4.52 2.15 -0.78 -4.96 116.67 121.92 1ivx s ASP 605 Ca 0.76 -0.78 0.03 0.00 0.43 0.00 0.00 52.55 52.99 1ivx s ASP 605 Cb -0.72 -0.35 -0.04 0.00 -0.30 0.00 0.00 42.92 41.51 1ivx s ASP 605 CO 0.44 0.13 -0.07 0.42 -0.17 0.00 0.00 175.17 175.92 1ivx s THR 606 N -1.54 0.98 0.14 1.71 -4.23 -1.26 -1.15 115.64 110.28 1ivx s THR 606 Ca 0.20 -2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 58.50 1ivx s THR 606 Cb -0.09 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.91 1ivx s THR 606 CO 0.10 -0.70 0.48 0.54 -0.54 0.00 0.00 174.62 174.50 1ivx s VAL 607 N -3.45 0.04 -1.74 2.29 0.11 -0.80 -4.98 120.40 111.88 1ivx s VAL 607 Ca 0.18 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1ivx s VAL 607 Cb 0.04 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1ivx s VAL 607 CO 0.00 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 1ivx n GLY 608 N -0.26 -0.63 3.77 6.54 0.00 -1.26 -0.35 105.19 112.99 1ivx n GLY 608 Ca -0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 1ivx n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ivx s PHE 609 N -3.58 -0.03 0.17 1.61 -0.12 -0.92 -4.13 117.98 110.97 1ivx s PHE 609 Ca 0.00 -0.22 -0.19 0.00 -0.05 0.00 0.00 56.93 56.47 1ivx s PHE 609 Cb 0.00 0.62 0.05 0.00 -0.63 0.00 0.00 43.02 43.06 1ivx s PHE 609 CO 0.00 -0.63 0.53 -1.59 -0.05 0.00 0.00 175.22 173.48 1ivx s LYS 610 N -2.60 1.28 -0.05 1.99 -2.85 -0.96 -1.44 119.74 115.09 1ivx s LYS 610 Ca 0.17 -0.68 0.03 0.00 -1.00 0.00 0.00 55.97 54.49 1ivx s LYS 610 Cb 0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.32 1ivx s LYS 610 CO 0.01 -0.54 -0.13 -0.51 0.10 0.00 0.00 175.35 174.28 1ivx s LEU 611 N -2.81 1.72 0.06 2.77 1.02 0.87 -0.39 118.68 121.92 1ivx s LEU 611 Ca 0.04 -0.29 0.10 0.00 0.02 0.00 0.00 54.13 54.00 1ivx s LEU 611 Cb -0.00 -0.81 -0.03 0.00 0.02 0.00 0.00 46.19 45.36 1ivx s LEU 611 CO -0.09 0.06 -0.26 -0.13 0.02 0.00 0.00 176.35 175.95 1ivx s ARG 612 N 0.47 1.74 0.42 1.70 0.52 -0.42 -0.96 118.95 122.42 1ivx s ARG 612 Ca -0.11 -1.15 -0.26 0.00 -0.52 0.00 0.00 55.73 53.69 1ivx s ARG 612 Cb -0.14 -1.97 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 1ivx s ARG 612 CO 0.03 0.50 1.38 -0.35 0.02 0.00 0.00 175.30 176.88 1ivx n PRO 613 N 1.60 2.21 -3.59 3.54 -0.04 -1.26 -0.38 135.00 137.08 1ivx n PRO 613 Ca -0.17 0.78 -0.28 0.00 -0.04 0.00 0.00 63.50 63.79 1ivx n PRO 613 Cb 0.52 -2.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.33 1ivx n PRO 613 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ivx s GLU 614 N -2.27 1.32 -0.47 0.54 2.56 0.27 -4.69 118.70 115.95 1ivx s GLU 614 Ca 0.59 -2.30 0.00 0.00 0.00 0.00 0.00 54.97 53.27 1ivx s GLU 614 Cb -0.48 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 33.57 1ivx s GLU 614 CO 0.59 -1.30 0.00 0.41 -0.56 0.00 0.00 175.26 174.40 1ivx n GLY 615 N 2.91 0.29 0.09 -1.50 0.00 -1.26 -2.41 105.19 103.31 1ivx n GLY 615 Ca 0.21 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1ivx n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ivx h PHE 616 N 0.00 0.18 -2.89 1.61 3.57 -1.87 -3.35 116.94 114.18 1ivx h PHE 616 Ca -0.12 -0.13 -0.47 0.00 3.53 0.00 0.00 57.97 60.78 1ivx h PHE 616 Cb 0.93 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 39.69 1ivx h PHE 616 CO 0.14 1.24 -0.11 -0.06 -2.23 0.00 0.00 178.31 177.29 1ivx s PHE 617 N -2.33 3.40 -1.14 0.41 0.40 -1.26 -4.87 117.98 112.59 1ivx s PHE 617 Ca -0.20 0.37 0.29 0.00 -0.60 0.00 0.00 56.93 56.79 1ivx s PHE 617 Cb 0.01 -2.12 1.19 0.00 0.51 0.00 0.00 43.02 42.61 1ivx s PHE 617 CO 0.71 -0.13 1.88 -0.25 0.70 0.00 0.00 175.22 178.13 1ivx n ASP 618 N -1.97 0.11 -3.38 1.36 8.00 -1.26 -4.91 116.55 114.49 1ivx n ASP 618 Ca -0.02 0.18 0.03 0.00 0.71 0.00 0.00 54.79 55.69 1ivx n ASP 618 Cb 0.57 -0.32 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1ivx n ASP 618 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1ivx n ARG 619 N -1.41 0.13 -1.69 -1.24 1.85 -1.26 -4.93 116.66 108.11 1ivx n ARG 619 Ca 0.09 -0.61 -0.44 0.00 -1.00 0.00 0.00 57.85 55.89 1ivx n ARG 619 Cb 0.32 1.03 -0.03 0.00 -1.05 0.00 0.00 32.46 32.73 1ivx n ARG 619 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1ivx n SER 620 N -0.91 3.21 -0.03 2.89 2.88 -1.26 -4.87 113.62 115.53 1ivx n SER 620 Ca 0.04 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 58.85 1ivx n SER 620 Cb 0.48 -1.48 0.77 0.00 -0.75 0.00 0.00 64.21 63.23 1ivx n SER 620 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1ivx n PRO 621 N 2.50 0.62 -0.62 -1.46 -0.02 -1.26 -3.88 135.00 130.88 1ivx n PRO 621 Ca 0.12 -0.05 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1ivx n PRO 621 Cb 0.33 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.56 1ivx n PRO 621 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1ivx n VAL 622 N -1.14 2.46 0.30 -1.45 0.24 -1.26 -4.55 118.33 112.91 1ivx n VAL 622 Ca 0.17 -2.05 0.17 0.00 -2.04 0.00 0.00 64.34 60.58 1ivx n VAL 622 Cb 0.22 -0.29 0.67 0.00 -1.47 0.00 0.00 33.84 32.97 1ivx n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ivx h LEU 623 N 1.74 0.00 -1.20 1.34 3.38 -1.98 -2.68 115.31 115.92 1ivx h LEU 623 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ivx h LEU 623 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1ivx h LEU 623 CO 0.34 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.97 1ivx n ASP 624 N -2.97 1.83 -4.72 -0.43 5.75 -1.26 -4.92 116.55 109.82 1ivx n ASP 624 Ca 0.01 -1.66 -0.42 0.00 -0.01 0.00 0.00 54.79 52.71 1ivx n ASP 624 Cb 0.29 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 1ivx n ASP 624 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ivx s VAL 625 N -1.88 2.67 0.76 2.12 1.01 -1.01 -4.96 120.40 119.11 1ivx s VAL 625 Ca 0.35 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.69 1ivx s VAL 625 Cb 0.20 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 33.31 1ivx s VAL 625 CO 0.30 0.05 1.17 -2.84 0.00 0.00 0.00 175.10 173.78 1ivx s PRO 626 N 0.79 2.03 0.05 2.72 0.02 -1.26 -4.95 135.00 134.40 1ivx s PRO 626 Ca 0.67 1.62 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 1ivx s PRO 626 Cb -0.43 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.11 1ivx s PRO 626 CO 0.34 -1.89 1.51 0.00 -0.33 0.00 0.00 177.00 176.63 1ivx h ALA 627 N -0.61 0.12 0.00 -1.55 0.00 -1.93 -3.45 119.26 111.84 1ivx h ALA 627 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ivx h ALA 627 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ivx h ALA 627 CO 0.49 -0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.61