#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipd s LYS 2 N 0.00 2.94 -0.08 2.12 2.20 -1.24 0.17 119.74 125.86 1ipd s LYS 2 Ca 0.00 -1.25 0.01 0.00 -0.36 0.00 0.00 55.97 54.37 1ipd s LYS 2 Cb 0.00 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.25 1ipd s LYS 2 CO 0.00 -0.93 -0.08 0.08 -0.36 0.00 0.00 175.35 174.06 1ipd s VAL 3 N 1.63 3.57 -0.25 4.02 1.01 -0.07 -0.47 120.40 129.84 1ipd s VAL 3 Ca 0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1ipd s VAL 3 Cb -0.22 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1ipd s VAL 3 CO 0.07 0.58 0.12 0.00 0.00 0.00 0.00 175.10 175.88 1ipd s ALA 4 N -0.62 3.37 -0.19 5.51 0.00 0.10 -2.11 121.76 127.82 1ipd s ALA 4 Ca 0.09 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1ipd s ALA 4 Cb -0.12 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1ipd s ALA 4 CO 0.02 -0.40 0.05 0.08 0.00 0.00 0.00 175.76 175.51 1ipd s VAL 5 N 1.45 4.56 -0.48 0.00 1.01 -0.49 0.62 120.40 127.06 1ipd s VAL 5 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1ipd s VAL 5 Cb -0.15 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.31 1ipd s VAL 5 CO 0.06 0.44 0.28 -0.76 0.00 0.00 0.00 175.10 175.12 1ipd s LEU 6 N 0.58 3.13 0.33 3.92 1.02 -0.07 -0.75 118.68 126.85 1ipd s LEU 6 Ca 0.02 -2.87 0.07 0.00 0.02 0.00 0.00 54.13 51.37 1ipd s LEU 6 Cb -0.13 -1.17 0.75 0.00 0.02 0.00 0.00 46.19 45.66 1ipd s LEU 6 CO 0.02 -0.23 1.84 -0.65 0.02 0.00 0.00 176.35 177.35 1ipd h PRO 7 N 6.46 0.75 0.00 1.29 0.11 -1.82 0.22 132.00 139.01 1ipd h PRO 7 Ca 0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ipd h PRO 7 Cb 0.90 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ipd h PRO 7 CO 0.54 0.50 0.00 0.41 -0.21 0.00 0.00 178.00 179.23 1ipd n GLY 8 N -1.40 -0.94 3.95 -0.55 0.00 -1.26 -3.17 105.19 101.83 1ipd n GLY 8 Ca 0.19 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 1ipd n GLY 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ipd s ASP 9 N -4.00 4.99 1.39 1.61 1.01 0.17 -4.40 116.67 117.44 1ipd s ASP 9 Ca 0.00 -0.91 0.00 0.00 0.71 0.00 0.00 52.55 52.35 1ipd s ASP 9 Cb 0.00 0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.98 1ipd s ASP 9 CO 0.00 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 174.94 1ipd n GLY 10 N -1.89 2.09 0.30 0.21 0.00 -1.26 0.04 105.19 104.68 1ipd n GLY 10 Ca 0.07 0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.62 1ipd n GLY 10 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ipd n ILE 11 N 0.00 0.03 0.01 -0.61 -5.35 0.13 -4.36 119.36 109.21 1ipd n ILE 11 Ca 0.00 -0.16 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1ipd n ILE 11 Cb 0.00 0.10 -0.06 0.00 -1.74 0.00 0.00 39.64 37.94 1ipd n ILE 11 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1ipd h GLY 12 N 4.97 -1.26 -0.35 3.28 0.00 -0.55 -1.24 103.07 107.90 1ipd h GLY 12 Ca 0.00 0.67 0.21 0.00 0.00 0.00 0.00 47.33 48.20 1ipd h GLY 12 CO 0.00 -0.35 0.19 -2.55 0.00 0.00 0.00 176.54 173.83 1ipd h PRO 13 N -0.38 0.21 -0.17 4.80 0.11 -1.75 -0.48 132.00 134.34 1ipd h PRO 13 Ca 0.01 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1ipd h PRO 13 Cb 0.43 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1ipd h PRO 13 CO -0.25 0.14 -0.30 0.93 -0.21 0.00 0.00 178.00 178.30 1ipd h GLU 14 N 0.21 0.50 -0.08 1.05 5.08 -1.76 -2.96 114.58 116.63 1ipd h GLU 14 Ca 0.50 -0.32 -0.17 0.00 -1.00 0.00 0.00 59.36 58.38 1ipd h GLU 14 Cb 0.97 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1ipd h GLU 14 CO -0.63 0.92 -0.70 -0.39 -1.00 0.00 0.00 179.01 177.22 1ipd h VAL 15 N 0.13 1.39 -0.49 3.13 -1.51 -0.66 -3.07 116.25 115.17 1ipd h VAL 15 Ca 0.01 -2.12 -0.03 0.00 -1.23 0.00 0.00 66.70 63.33 1ipd h VAL 15 Cb 0.89 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 32.12 1ipd h VAL 15 CO 0.07 0.63 0.19 0.74 -1.23 0.00 0.00 177.57 177.97 1ipd h THR 16 N 0.24 1.21 -0.32 7.19 2.02 -1.20 -2.52 112.91 119.54 1ipd h THR 16 Ca -0.02 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 1ipd h THR 16 Cb 1.25 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1ipd h THR 16 CO 0.12 0.25 -0.02 -0.08 0.37 0.00 0.00 175.52 176.15 1ipd h GLU 17 N 0.64 0.50 -0.47 6.66 4.22 -1.55 -1.55 114.58 123.03 1ipd h GLU 17 Ca 0.16 -0.11 -0.06 0.00 0.08 0.00 0.00 59.36 59.43 1ipd h GLU 17 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ipd h GLU 17 CO -0.01 0.54 0.04 0.00 -2.18 0.00 0.00 179.01 177.40 1ipd h ALA 18 N 1.51 1.18 -0.39 2.92 0.00 -1.36 0.52 119.26 123.64 1ipd h ALA 18 Ca 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ipd h ALA 18 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ipd h ALA 18 CO 0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1ipd h ALA 19 N 1.32 0.52 -0.70 0.00 0.00 -1.08 -2.87 119.26 116.45 1ipd h ALA 19 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ipd h ALA 19 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ipd h ALA 19 CO 0.01 0.29 0.45 -0.07 0.00 0.00 0.00 179.25 179.93 1ipd h LEU 20 N 0.50 0.82 -0.63 0.00 3.38 -0.92 0.39 115.31 118.86 1ipd h LEU 20 Ca 0.11 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1ipd h LEU 20 Cb 0.47 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1ipd h LEU 20 CO 0.02 0.61 0.04 0.11 0.09 0.00 0.00 178.44 179.30 1ipd h LYS 21 N 0.95 0.15 0.16 1.13 6.56 -0.74 0.73 116.57 125.51 1ipd h LYS 21 Ca 0.25 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.83 1ipd h LYS 21 Cb -0.08 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 1ipd h LYS 21 CO -0.05 0.10 -0.08 0.28 -2.06 0.00 0.00 179.45 177.64 1ipd h VAL 22 N 0.15 0.96 -0.43 0.50 2.07 -0.95 -1.97 116.25 116.58 1ipd h VAL 22 Ca 0.33 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1ipd h VAL 22 Cb 0.54 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1ipd h VAL 22 CO -0.51 0.16 0.20 -0.07 0.02 0.00 0.00 177.57 177.37 1ipd h LEU 23 N -0.57 0.27 -0.87 2.57 3.38 0.40 -1.77 115.31 118.72 1ipd h LEU 23 Ca -0.02 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1ipd h LEU 23 Cb 0.43 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1ipd h LEU 23 CO 0.04 0.20 0.53 0.03 0.09 0.00 0.00 178.44 179.33 1ipd h ARG 24 N 0.40 0.91 -0.90 1.13 3.08 0.47 -0.25 114.38 119.22 1ipd h ARG 24 Ca 0.19 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1ipd h ARG 24 Cb 0.12 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1ipd h ARG 24 CO -0.15 0.60 0.54 0.00 -1.07 0.00 0.00 179.97 179.89 1ipd h ALA 25 N 1.44 1.15 -0.04 0.04 0.00 -0.55 -2.30 119.26 119.00 1ipd h ALA 25 Ca 0.40 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1ipd h ALA 25 Cb 0.26 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ipd h ALA 25 CO -0.20 0.61 -0.75 -0.07 0.00 0.00 0.00 179.25 178.84 1ipd h LEU 26 N 1.24 0.72 -0.45 0.00 3.38 -0.64 -2.63 115.31 116.94 1ipd h LEU 26 Ca 0.32 -0.72 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1ipd h LEU 26 Cb -0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 1ipd h LEU 26 CO -0.06 1.34 0.03 -0.78 0.09 0.00 0.00 178.44 179.06 1ipd h ASP 27 N 0.17 -0.13 0.25 -0.43 1.82 -0.78 0.22 116.42 117.55 1ipd h ASP 27 Ca -0.08 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1ipd h ASP 27 Cb 1.42 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 1ipd h ASP 27 CO 0.15 -0.03 -0.17 -0.08 -1.61 0.00 0.00 179.24 177.50 1ipd h GLU 28 N 0.15 -0.41 -0.14 0.28 4.81 -1.45 0.84 114.58 118.65 1ipd h GLU 28 Ca 0.22 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ipd h GLU 28 Cb 0.32 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ipd h GLU 28 CO -0.35 -0.27 0.05 0.00 -0.73 0.00 0.00 179.01 177.72 1ipd h ALA 29 N 0.30 0.18 -0.02 2.92 0.00 -1.04 -3.29 119.26 118.31 1ipd h ALA 29 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ipd h ALA 29 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ipd h ALA 29 CO 0.01 -0.22 -0.25 0.39 0.00 0.00 0.00 179.25 179.18 1ipd n GLU 30 N -4.88 1.74 -3.62 0.00 4.71 0.72 -5.02 120.64 114.30 1ipd n GLU 30 Ca -0.05 -1.44 -0.22 0.00 -0.01 0.00 0.00 57.16 55.44 1ipd n GLU 30 Cb 0.12 -1.47 0.04 0.00 -1.01 0.00 0.00 31.44 29.12 1ipd n GLU 30 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ipd n GLY 31 N 1.39 -0.56 0.15 0.62 0.00 0.29 -4.91 105.19 102.16 1ipd n GLY 31 Ca 0.12 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.53 1ipd n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ipd h LEU 32 N -1.76 0.00 0.36 0.99 4.07 -1.75 -3.48 115.31 113.75 1ipd h LEU 32 Ca -0.62 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.24 1ipd h LEU 32 Cb 1.35 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.06 1ipd h LEU 32 CO 0.53 0.00 -0.10 0.61 -1.08 0.00 0.00 178.44 178.40 1ipd n GLY 33 N 0.50 0.58 3.64 0.83 0.00 -1.26 -4.34 105.19 105.14 1ipd n GLY 33 Ca 0.03 -0.80 -0.49 0.00 0.00 0.00 0.00 46.02 44.76 1ipd n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ipd n LEU 34 N -0.58 2.48 -3.56 0.99 0.00 -1.26 -2.95 117.00 112.12 1ipd n LEU 34 Ca -0.05 1.10 -0.24 0.00 0.00 0.00 0.00 56.01 56.82 1ipd n LEU 34 Cb 0.27 -1.32 -0.15 0.00 0.00 0.00 0.00 43.42 42.22 1ipd n LEU 34 CO 0.07 -0.61 -0.29 0.00 0.00 0.00 0.00 177.39 176.56 1ipd s ALA 35 N 0.83 0.22 0.18 1.96 0.00 0.45 -4.92 121.76 120.47 1ipd s ALA 35 Ca 0.82 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.56 1ipd s ALA 35 Cb -0.80 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1ipd s ALA 35 CO 0.42 -1.29 -0.13 1.52 0.00 0.00 0.00 175.76 176.28 1ipd s TYR 36 N 2.19 1.54 -0.02 0.00 -0.85 -1.26 -0.89 117.35 118.07 1ipd s TYR 36 Ca 0.05 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 1ipd s TYR 36 Cb -0.16 -0.74 0.02 0.00 0.38 0.00 0.00 41.96 41.45 1ipd s TYR 36 CO -0.16 0.25 0.00 -1.21 -1.52 0.00 0.00 175.55 172.92 1ipd s GLU 37 N -3.54 0.13 -0.04 -3.49 2.02 -0.90 -4.95 118.70 107.92 1ipd s GLU 37 Ca 0.19 0.06 -0.17 0.00 0.02 0.00 0.00 54.97 55.06 1ipd s GLU 37 Cb -0.00 -0.27 -0.05 0.00 0.10 0.00 0.00 34.13 33.91 1ipd s GLU 37 CO 0.04 -0.08 0.48 0.14 0.02 0.00 0.00 175.26 175.86 1ipd s VAL 38 N 0.61 5.05 0.09 2.63 -7.23 -1.26 -1.40 120.40 118.89 1ipd s VAL 38 Ca -0.06 0.98 0.08 0.00 -1.81 0.00 0.00 61.98 61.18 1ipd s VAL 38 Cb -0.08 -3.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 1ipd s VAL 38 CO -0.01 0.45 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.65 1ipd s PHE 39 N -0.25 1.84 0.50 2.82 0.40 0.07 -4.95 117.98 118.40 1ipd s PHE 39 Ca 0.26 -0.41 -0.23 0.00 -0.60 0.00 0.00 56.93 55.95 1ipd s PHE 39 Cb -0.17 -1.02 -0.06 0.00 0.51 0.00 0.00 43.02 42.28 1ipd s PHE 39 CO 0.13 0.20 1.31 -1.25 0.70 0.00 0.00 175.22 176.31 1ipd s PRO 40 N -1.80 3.46 -0.25 0.24 0.04 -1.26 -4.33 135.00 131.10 1ipd s PRO 40 Ca 0.07 2.13 -0.27 0.00 0.04 0.00 0.00 61.00 62.97 1ipd s PRO 40 Cb -0.10 -2.40 0.13 0.00 0.04 0.00 0.00 34.50 32.17 1ipd s PRO 40 CO 0.04 -0.90 1.08 0.12 0.04 0.00 0.00 177.00 177.38 1ipd s PHE 41 N -1.35 -0.38 0.00 0.56 5.36 -1.26 -4.71 117.98 116.20 1ipd s PHE 41 Ca 0.67 0.85 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 1ipd s PHE 41 Cb -0.37 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 1ipd s PHE 41 CO 0.46 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 174.39 1ipd n GLY 42 N 1.65 0.00 0.25 13.12 0.00 -1.06 -4.03 105.19 115.12 1ipd n GLY 42 Ca -0.11 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 44.90 1ipd n GLY 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ipd h GLY 43 N 0.00 0.57 0.59 -0.02 0.00 -1.92 0.11 103.07 102.40 1ipd h GLY 43 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.61 1ipd h GLY 43 CO 0.00 -0.24 0.59 0.00 0.00 0.00 0.00 176.54 176.89 1ipd h ALA 44 N 1.63 1.65 -0.18 3.60 0.00 -1.87 -2.30 119.26 121.79 1ipd h ALA 44 Ca 0.33 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1ipd h ALA 44 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ipd h ALA 44 CO -0.63 0.13 -0.37 0.00 0.00 0.00 0.00 179.25 178.38 1ipd h ALA 45 N 1.56 0.29 -0.85 0.00 0.00 -1.16 -0.38 119.26 118.72 1ipd h ALA 45 Ca 0.45 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ipd h ALA 45 Cb 0.52 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1ipd h ALA 45 CO -0.21 0.37 0.53 0.82 0.00 0.00 0.00 179.25 180.75 1ipd h ILE 46 N 0.23 1.04 -0.04 0.00 2.04 -0.82 1.98 117.51 121.95 1ipd h ILE 46 Ca 0.01 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1ipd h ILE 46 Cb 0.97 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1ipd h ILE 46 CO 0.08 0.18 -0.15 0.44 0.00 0.00 0.00 178.15 178.69 1ipd h ASP 47 N 0.96 0.21 1.17 1.72 3.32 -1.44 1.60 116.42 123.96 1ipd h ASP 47 Ca 0.37 -0.63 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 1ipd h ASP 47 Cb 0.17 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1ipd h ASP 47 CO -0.17 0.81 -0.84 0.00 -1.72 0.00 0.00 179.24 177.32 1ipd h ALA 48 N 0.41 0.48 0.00 3.45 0.00 -0.83 -3.40 119.26 119.37 1ipd h ALA 48 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ipd h ALA 48 Cb 0.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ipd h ALA 48 CO 0.03 1.02 -0.59 1.19 0.00 0.00 0.00 179.25 180.90 1ipd n PHE 49 N -3.29 0.00 -0.05 0.00 3.01 0.67 -5.01 117.46 112.78 1ipd n PHE 49 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ipd n PHE 49 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.34 1ipd n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ipd n GLY 50 N 1.73 0.44 3.38 1.37 0.00 0.55 -4.95 105.19 107.70 1ipd n GLY 50 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ipd n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ipd s GLU 51 N -0.89 0.85 0.36 1.61 -1.05 -1.22 -4.82 118.70 113.54 1ipd s GLU 51 Ca 0.00 0.06 0.12 0.00 -0.15 0.00 0.00 54.97 54.99 1ipd s GLU 51 Cb 0.00 0.39 0.67 0.00 -0.44 0.00 0.00 34.13 34.75 1ipd s GLU 51 CO 0.00 -0.25 1.80 -1.00 0.95 0.00 0.00 175.26 176.76 1ipd h PRO 52 N 3.53 0.04 -2.41 -4.83 0.13 -1.82 -2.88 132.00 123.76 1ipd h PRO 52 Ca -0.28 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.24 1ipd h PRO 52 Cb 1.16 -0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 1ipd h PRO 52 CO 0.39 0.42 -0.84 0.34 -0.23 0.00 0.00 178.00 178.07 1ipd n PHE 53 N -4.07 1.04 -1.57 1.56 7.35 -1.26 -2.57 117.46 117.93 1ipd n PHE 53 Ca -0.02 -3.76 -0.35 0.00 -0.76 0.00 0.00 57.45 52.56 1ipd n PHE 53 Cb 0.42 -0.25 0.08 0.00 0.35 0.00 0.00 39.48 40.08 1ipd n PHE 53 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1ipd s PRO 54 N -1.08 2.34 0.37 -7.13 0.02 -1.26 -4.68 135.00 123.58 1ipd s PRO 54 Ca 0.33 1.80 0.13 0.00 0.02 0.00 0.00 61.00 63.28 1ipd s PRO 54 Cb 0.07 -1.85 0.95 0.00 0.02 0.00 0.00 34.50 33.69 1ipd s PRO 54 CO -0.14 -1.69 1.81 0.93 -0.33 0.00 0.00 177.00 177.58 1ipd h GLU 55 N 0.01 0.53 -0.86 5.54 4.39 -1.99 0.20 114.58 122.40 1ipd h GLU 55 Ca -0.48 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.23 1ipd h GLU 55 Cb 1.30 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 1ipd h GLU 55 CO 0.51 0.35 0.56 -1.35 -1.16 0.00 0.00 179.01 177.93 1ipd h PRO 56 N 0.55 1.01 -0.09 2.33 0.11 -1.98 0.13 132.00 134.05 1ipd h PRO 56 Ca 0.54 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.54 1ipd h PRO 56 Cb 1.13 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ipd h PRO 56 CO -0.28 0.67 -0.13 1.15 -0.21 0.00 0.00 178.00 179.20 1ipd h THR 57 N 1.04 1.39 -0.45 -1.15 2.02 -0.95 0.11 112.91 114.92 1ipd h THR 57 Ca 0.35 -1.36 0.06 0.00 0.77 0.00 0.00 66.41 66.23 1ipd h THR 57 Cb 0.08 2.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 1ipd h THR 57 CO -0.11 0.38 0.16 0.03 0.37 0.00 0.00 175.52 176.35 1ipd h ARG 58 N -0.20 0.32 -0.22 6.66 3.08 -0.92 0.73 114.38 123.83 1ipd h ARG 58 Ca 0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1ipd h ARG 58 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1ipd h ARG 58 CO 0.03 0.21 -0.19 0.87 -1.07 0.00 0.00 179.97 179.82 1ipd h LYS 59 N 0.33 0.38 -0.04 0.04 1.57 -0.77 -1.98 116.57 116.09 1ipd h LYS 59 Ca 0.21 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1ipd h LYS 59 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ipd h LYS 59 CO -0.21 0.56 0.02 0.78 -0.57 0.00 0.00 179.45 180.03 1ipd h GLY 60 N 0.94 0.06 1.11 3.86 0.00 0.22 -2.15 103.07 107.10 1ipd h GLY 60 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1ipd h GLY 60 CO 0.04 0.02 0.04 -0.39 0.00 0.00 0.00 176.54 176.25 1ipd h VAL 61 N -0.02 1.26 -0.48 4.60 -1.51 0.56 -2.90 116.25 117.76 1ipd h VAL 61 Ca 0.01 -1.10 -0.09 0.00 -1.23 0.00 0.00 66.70 64.29 1ipd h VAL 61 Cb 0.08 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 29.95 1ipd h VAL 61 CO -0.00 0.41 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.36 1ipd h GLU 62 N 0.99 0.84 -0.00 5.19 5.08 -1.35 -2.78 114.58 122.55 1ipd h GLU 62 Ca 0.18 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ipd h GLU 62 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ipd h GLU 62 CO 0.02 0.88 -0.10 -0.85 -1.00 0.00 0.00 179.01 177.96 1ipd n GLU 63 N -4.18 0.74 -2.95 2.33 0.28 -0.81 -4.91 120.64 111.14 1ipd n GLU 63 Ca 0.02 -0.25 -0.18 0.00 -0.16 0.00 0.00 57.16 56.59 1ipd n GLU 63 Cb 0.34 -1.49 0.03 0.00 1.43 0.00 0.00 31.44 31.75 1ipd n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ipd s ALA 64 N -2.43 4.45 -0.86 -1.84 0.00 -1.05 -5.04 121.76 114.99 1ipd s ALA 64 Ca 0.30 -1.73 0.20 0.00 0.00 0.00 0.00 51.96 50.73 1ipd s ALA 64 Cb 0.20 -1.67 -0.23 0.00 0.00 0.00 0.00 23.12 21.42 1ipd s ALA 64 CO 0.46 -0.52 0.82 0.39 0.00 0.00 0.00 175.76 176.92 1ipd n GLU 65 N -2.04 0.34 -3.57 0.00 1.02 0.38 -4.79 120.64 111.97 1ipd n GLU 65 Ca 0.10 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.08 1ipd n GLU 65 Cb 0.60 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.50 1ipd n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ipd s ALA 66 N -2.97 -1.85 -0.17 0.62 0.00 -1.18 -4.43 121.76 111.78 1ipd s ALA 66 Ca 0.06 1.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 1ipd s ALA 66 Cb 0.15 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1ipd s ALA 66 CO 0.84 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 176.23 1ipd s VAL 67 N -0.75 2.93 -0.32 0.00 1.01 -0.18 0.03 120.40 123.11 1ipd s VAL 67 Ca -0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1ipd s VAL 67 Cb -0.02 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1ipd s VAL 67 CO 0.04 0.49 0.16 -0.22 0.00 0.00 0.00 175.10 175.57 1ipd s LEU 68 N 0.94 4.19 -0.05 3.92 0.20 0.20 -1.65 118.68 126.43 1ipd s LEU 68 Ca -0.02 -0.59 -0.01 0.00 0.69 0.00 0.00 54.13 54.20 1ipd s LEU 68 Cb -0.15 -2.01 -0.03 0.00 -0.43 0.00 0.00 46.19 43.57 1ipd s LEU 68 CO -0.01 -0.22 0.01 -0.22 -0.29 0.00 0.00 176.35 175.62 1ipd s LEU 69 N 1.61 3.60 0.00 -0.68 0.20 0.19 -0.89 118.68 122.71 1ipd s LEU 69 Ca 0.04 0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.96 1ipd s LEU 69 Cb -0.17 -1.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.66 1ipd s LEU 69 CO 0.06 0.34 0.00 0.61 -0.29 0.00 0.00 176.35 177.07 1ipd n GLY 70 N 1.80 1.02 3.65 7.98 0.00 0.78 -4.18 105.19 116.23 1ipd n GLY 70 Ca -0.17 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 1ipd n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ipd s SER 71 N -1.00 4.66 -0.01 1.61 1.04 -1.19 -4.50 113.70 114.32 1ipd s SER 71 Ca 0.00 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.99 1ipd s SER 71 Cb 0.00 -0.95 -0.00 0.00 0.10 0.00 0.00 66.02 65.17 1ipd s SER 71 CO 0.00 0.07 -0.08 -0.69 0.98 0.00 0.00 173.24 173.52 1ipd s VAL 72 N -1.85 0.65 0.00 5.02 1.01 -1.26 0.45 120.40 124.42 1ipd s VAL 72 Ca 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1ipd s VAL 72 Cb -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1ipd s VAL 72 CO 0.18 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1ipd n GLY 73 N 2.97 0.70 0.00 4.51 0.00 -1.26 -4.74 105.19 107.37 1ipd n GLY 73 Ca -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1ipd n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipd n GLY 74 N 0.82 2.32 0.40 -0.02 0.00 -1.26 -4.66 105.19 102.79 1ipd n GLY 74 Ca 0.00 -1.03 0.26 0.00 0.00 0.00 0.00 46.02 45.26 1ipd n GLY 74 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ipd h PRO 75 N 0.00 0.31 -0.68 1.61 0.11 -2.00 0.12 132.00 131.47 1ipd h PRO 75 Ca 0.00 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.29 1ipd h PRO 75 Cb 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1ipd h PRO 75 CO 0.00 0.20 0.58 -0.22 -0.21 0.00 0.00 178.00 178.36 1ipd h LYS 76 N 0.32 0.00 0.00 1.05 3.11 -2.04 -0.85 116.57 118.15 1ipd h LYS 76 Ca 0.69 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.51 1ipd h LYS 76 Cb 1.79 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.98 1ipd h LYS 76 CO -0.42 0.00 -0.37 0.91 -2.81 0.00 0.00 179.45 176.76 1ipd n TRP 77 N -3.95 0.00 0.77 1.91 8.01 0.41 -4.74 117.44 119.84 1ipd n TRP 77 Ca 0.14 -1.11 0.10 0.00 -1.31 0.00 0.00 57.50 55.32 1ipd n TRP 77 Cb 0.83 -0.19 0.46 0.00 -2.01 0.00 0.00 31.31 30.41 1ipd n TRP 77 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ipd n ASP 78 N -1.00 0.00 -3.40 -0.99 8.00 -0.33 -4.25 116.55 114.58 1ipd n ASP 78 Ca 0.15 0.42 -0.26 0.00 0.71 0.00 0.00 54.79 55.81 1ipd n ASP 78 Cb 0.72 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 41.27 1ipd n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ipd n GLY 79 N 0.65 3.85 3.17 0.44 0.00 -1.26 -5.05 105.19 106.98 1ipd n GLY 79 Ca 0.06 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1ipd n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ipd s LEU 80 N -1.71 1.73 0.64 0.99 1.43 -1.26 -5.13 118.68 115.38 1ipd s LEU 80 Ca 0.36 -1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1ipd s LEU 80 Cb 0.12 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.77 1ipd s LEU 80 CO -0.08 -0.74 0.81 -0.81 0.23 0.00 0.00 176.35 175.77 1ipd n PRO 81 N -0.08 0.63 0.00 1.29 -0.04 -1.26 -4.78 135.00 130.76 1ipd n PRO 81 Ca -0.08 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 1ipd n PRO 81 Cb 0.63 -2.04 0.42 0.00 -0.04 0.00 0.00 33.50 32.47 1ipd n PRO 81 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ipd n ARG 82 N -1.00 0.01 0.11 0.54 0.63 -1.26 -2.22 116.66 113.47 1ipd n ARG 82 Ca 0.13 0.16 0.03 0.00 -0.92 0.00 0.00 57.85 57.25 1ipd n ARG 82 Cb 0.48 -1.50 0.43 0.00 0.45 0.00 0.00 32.46 32.32 1ipd n ARG 82 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1ipd h LYS 83 N 0.00 0.29 -0.87 -0.14 2.10 -2.02 -3.27 116.57 112.65 1ipd h LYS 83 Ca 0.00 -0.05 -0.36 0.00 -2.00 0.00 0.00 60.65 58.24 1ipd h LYS 83 Cb 0.33 -0.05 -0.40 0.00 -0.90 0.00 0.00 32.23 31.21 1ipd h LYS 83 CO 0.00 0.32 -1.10 0.44 -2.00 0.00 0.00 179.45 177.11 1ipd n ILE 84 N -4.36 1.32 -4.00 0.07 -5.35 -0.94 -4.98 119.36 101.11 1ipd n ILE 84 Ca -0.00 -3.29 -0.28 0.00 -0.27 0.00 0.00 62.75 58.92 1ipd n ILE 84 Cb 0.19 0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 1ipd n ILE 84 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ipd s SER 85 N -3.40 5.94 0.28 7.28 1.04 -1.20 -4.62 113.70 119.02 1ipd s SER 85 Ca 0.31 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1ipd s SER 85 Cb 0.41 -1.70 0.66 0.00 0.10 0.00 0.00 66.02 65.49 1ipd s SER 85 CO -0.01 0.10 1.65 -0.65 0.98 0.00 0.00 173.24 175.31 1ipd h PRO 86 N 2.58 0.19 -0.54 4.02 0.11 -1.90 0.20 132.00 136.66 1ipd h PRO 86 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1ipd h PRO 86 Cb 1.19 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1ipd h PRO 86 CO 0.68 0.13 0.19 0.93 -0.21 0.00 0.00 178.00 179.71 1ipd h GLU 87 N 0.20 0.79 -0.11 1.05 3.07 -1.94 -0.92 114.58 116.72 1ipd h GLU 87 Ca 0.52 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 59.18 1ipd h GLU 87 Cb 1.03 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1ipd h GLU 87 CO -0.65 0.67 -0.27 1.15 -1.40 0.00 0.00 179.01 178.52 1ipd h THR 88 N 0.78 1.24 -0.41 1.13 2.02 -0.90 -2.25 112.91 114.51 1ipd h THR 88 Ca 0.18 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.13 1ipd h THR 88 Cb 0.19 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1ipd h THR 88 CO -0.01 0.34 -0.19 1.23 0.37 0.00 0.00 175.52 177.26 1ipd h GLY 89 N 0.97 0.86 0.86 2.16 0.00 -0.56 0.20 103.07 107.56 1ipd h GLY 89 Ca 0.03 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1ipd h GLY 89 CO 0.04 0.65 -0.04 1.41 0.00 0.00 0.00 176.54 178.60 1ipd h LEU 90 N 0.70 -0.10 -0.23 3.11 3.38 -1.14 0.79 115.31 121.82 1ipd h LEU 90 Ca 0.10 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1ipd h LEU 90 Cb 0.69 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1ipd h LEU 90 CO 0.05 0.07 -0.11 0.25 0.09 0.00 0.00 178.44 178.79 1ipd h LEU 91 N -0.26 -0.36 -0.69 1.67 7.12 -1.32 -1.90 115.31 119.58 1ipd h LEU 91 Ca -0.01 0.09 -0.07 0.00 0.13 0.00 0.00 57.88 58.02 1ipd h LEU 91 Cb 0.22 0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 1ipd h LEU 91 CO 0.02 -0.14 0.17 0.28 -0.13 0.00 0.00 178.44 178.64 1ipd h SER 92 N -0.07 1.04 0.21 1.25 0.02 -0.40 -1.99 113.55 113.60 1ipd h SER 92 Ca 0.12 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1ipd h SER 92 Cb 0.26 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1ipd h SER 92 CO -0.28 1.01 -0.38 0.25 -1.14 0.00 0.00 176.83 176.28 1ipd h LEU 93 N 1.03 -1.08 -1.00 5.07 6.46 -0.23 -0.55 115.31 125.01 1ipd h LEU 93 Ca 0.22 0.11 0.11 0.00 -0.12 0.00 0.00 57.88 58.20 1ipd h LEU 93 Cb 0.37 0.40 -0.08 0.00 -0.73 0.00 0.00 40.66 40.61 1ipd h LEU 93 CO 0.00 -0.48 0.63 -0.09 -0.62 0.00 0.00 178.44 177.89 1ipd h ARG 94 N -0.67 1.00 -0.15 1.25 2.43 -1.23 -2.28 114.38 114.74 1ipd h ARG 94 Ca 0.01 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1ipd h ARG 94 Cb 0.66 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ipd h ARG 94 CO -0.17 0.66 -0.73 -0.22 -1.51 0.00 0.00 179.97 178.00 1ipd h LYS 95 N 1.03 0.69 0.00 0.20 3.64 -1.04 -2.29 116.57 118.81 1ipd h LYS 95 Ca 0.48 -0.55 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1ipd h LYS 95 Cb 0.42 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1ipd h LYS 95 CO -0.25 1.16 -0.12 0.66 -2.27 0.00 0.00 179.45 178.64 1ipd h SER 96 N 0.48 0.00 -0.18 4.20 4.64 -0.53 -1.45 113.55 120.72 1ipd h SER 96 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ipd h SER 96 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1ipd h SER 96 CO 0.15 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 1ipd n GLN 97 N -3.78 1.87 -3.88 4.77 1.13 -1.05 -4.92 117.38 111.53 1ipd n GLN 97 Ca -0.02 -1.81 -0.29 0.00 -1.94 0.00 0.00 57.00 52.94 1ipd n GLN 97 Cb 0.22 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1ipd n GLN 97 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ipd n ASP 98 N 1.05 -2.24 -4.64 1.08 2.03 -0.55 0.50 116.55 113.79 1ipd n ASP 98 Ca 0.13 -1.04 -0.43 0.00 0.52 0.00 0.00 54.79 53.97 1ipd n ASP 98 Cb 0.47 -3.02 -0.03 0.00 -0.72 0.00 0.00 41.12 37.83 1ipd n ASP 98 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ipd s LEU 99 N -6.85 4.00 -0.00 -2.67 1.43 -0.90 -2.76 118.68 110.92 1ipd s LEU 99 Ca 0.20 1.03 0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1ipd s LEU 99 Cb -0.08 -3.44 -0.14 0.00 0.03 0.00 0.00 46.19 42.56 1ipd s LEU 99 CO 0.89 -0.78 0.40 2.22 0.23 0.00 0.00 176.35 179.30 1ipd n PHE 100 N 6.62 0.00 -5.05 0.29 1.16 0.30 -4.79 117.46 116.00 1ipd n PHE 100 Ca 0.10 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.40 1ipd n PHE 100 Cb 0.47 -0.08 -0.16 0.00 -1.61 0.00 0.00 39.48 38.10 1ipd n PHE 100 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ipd s ALA 101 N -2.27 1.84 -0.27 1.98 0.00 -0.07 -0.89 121.76 122.08 1ipd s ALA 101 Ca 0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1ipd s ALA 101 Cb 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1ipd s ALA 101 CO 0.46 0.36 0.04 1.21 0.00 0.00 0.00 175.76 177.82 1ipd s ASN 102 N -0.13 4.86 -0.21 0.00 3.84 -0.56 -0.29 114.94 122.45 1ipd s ASN 102 Ca -0.02 -0.61 -0.13 0.00 0.21 0.00 0.00 52.86 52.31 1ipd s ASN 102 Cb -0.12 -1.83 -0.05 0.00 -0.55 0.00 0.00 41.25 38.70 1ipd s ASN 102 CO 0.02 -0.13 0.25 -0.76 -2.79 0.00 0.00 177.10 173.69 1ipd s LEU 103 N 1.48 4.17 -0.27 3.21 1.02 0.26 -0.98 118.68 127.57 1ipd s LEU 103 Ca 0.03 0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.47 1ipd s LEU 103 Cb -0.16 -2.27 0.09 0.00 0.02 0.00 0.00 46.19 43.87 1ipd s LEU 103 CO 0.01 0.05 0.11 -0.13 0.02 0.00 0.00 176.35 176.41 1ipd s ARG 104 N 0.91 0.31 0.50 1.70 1.81 -0.09 -1.41 118.95 122.68 1ipd s ARG 104 Ca 0.13 -0.57 -0.17 0.00 -1.72 0.00 0.00 55.73 53.39 1ipd s ARG 104 Cb -0.13 -1.48 -0.08 0.00 -0.45 0.00 0.00 34.95 32.81 1ipd s ARG 104 CO 0.04 -0.94 0.99 -2.14 -0.68 0.00 0.00 175.30 172.57 1ipd s PRO 105 N 1.99 3.96 -0.14 3.54 0.02 -1.26 -2.18 135.00 140.92 1ipd s PRO 105 Ca 0.08 1.01 -0.04 0.00 0.02 0.00 0.00 61.00 62.07 1ipd s PRO 105 Cb -0.16 -2.14 0.05 0.00 0.02 0.00 0.00 34.50 32.28 1ipd s PRO 105 CO -0.29 -0.27 0.09 0.00 -0.33 0.00 0.00 177.00 176.20 1ipd s ALA 106 N -2.51 0.38 0.02 -1.55 0.00 0.05 -4.83 121.76 113.31 1ipd s ALA 106 Ca 0.60 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1ipd s ALA 106 Cb -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1ipd s ALA 106 CO 0.28 -1.04 -0.05 -1.59 0.00 0.00 0.00 175.76 173.36 1ipd s LYS 107 N 2.15 0.38 -0.40 0.00 -2.85 -1.26 -0.74 119.74 117.02 1ipd s LYS 107 Ca 0.03 -0.41 -0.12 0.00 -1.00 0.00 0.00 55.97 54.46 1ipd s LYS 107 Cb -0.15 -0.24 0.04 0.00 -2.06 0.00 0.00 37.83 35.42 1ipd s LYS 107 CO -0.08 0.05 0.26 0.08 0.10 0.00 0.00 175.35 175.77 1ipd s VAL 108 N -0.71 4.76 0.22 1.79 1.01 0.25 -4.64 120.40 123.08 1ipd s VAL 108 Ca -0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 1ipd s VAL 108 Cb -0.05 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1ipd s VAL 108 CO -0.00 -0.34 1.54 -0.36 0.00 0.00 0.00 175.10 175.94 1ipd s PHE 109 N 1.57 2.97 -0.06 5.22 0.08 -1.26 -4.29 117.98 122.21 1ipd s PHE 109 Ca 0.03 0.77 -0.38 0.00 0.12 0.00 0.00 56.93 57.47 1ipd s PHE 109 Cb -0.20 -3.94 -0.16 0.00 -0.57 0.00 0.00 43.02 38.15 1ipd s PHE 109 CO 0.07 -3.27 1.52 -2.30 -0.10 0.00 0.00 175.22 171.14 1ipd n PRO 110 N 3.04 1.22 -0.14 0.24 -0.02 -1.26 -0.15 135.00 137.93 1ipd n PRO 110 Ca 0.10 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1ipd n PRO 110 Cb 0.39 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1ipd n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ipd n GLY 111 N 3.26 1.28 0.97 -1.23 0.00 -1.26 -4.85 105.19 103.36 1ipd n GLY 111 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 1ipd n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ipd n LEU 112 N 0.00 3.23 0.08 0.99 4.77 0.79 -4.47 117.00 122.40 1ipd n LEU 112 Ca 0.00 -1.68 0.05 0.00 -0.03 0.00 0.00 56.01 54.35 1ipd n LEU 112 Cb 0.00 -0.26 0.26 0.00 -2.33 0.00 0.00 43.42 41.09 1ipd n LEU 112 CO 0.00 0.75 0.66 -0.62 -1.33 0.00 0.00 177.39 176.85 1ipd n GLU 113 N 1.16 0.06 0.13 3.23 4.71 -1.25 -0.93 120.64 127.75 1ipd n GLU 113 Ca 0.17 0.53 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1ipd n GLU 113 Cb 0.52 -1.78 0.11 0.00 -1.01 0.00 0.00 31.44 29.29 1ipd n GLU 113 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 1ipd h ARG 114 N 0.00 0.00 -0.00 3.49 0.11 -1.94 -2.94 114.38 113.10 1ipd h ARG 114 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ipd h ARG 114 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1ipd h ARG 114 CO 0.00 0.62 -0.07 1.28 0.10 0.00 0.00 179.97 181.90 1ipd n LEU 115 N -3.49 0.19 -4.78 0.08 4.77 -0.11 -4.86 117.00 108.81 1ipd n LEU 115 Ca 0.00 0.20 -0.37 0.00 -0.03 0.00 0.00 56.01 55.81 1ipd n LEU 115 Cb 0.69 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1ipd n LEU 115 CO 0.41 0.04 0.66 -0.55 -1.33 0.00 0.00 177.39 176.62 1ipd s SER 116 N -2.63 7.31 0.31 -1.43 0.15 -1.11 -3.67 113.70 112.62 1ipd s SER 116 Ca 0.25 1.86 0.24 0.00 0.70 0.00 0.00 55.95 59.00 1ipd s SER 116 Cb 0.20 -2.58 1.11 0.00 -1.71 0.00 0.00 66.02 63.04 1ipd s SER 116 CO 0.49 -0.09 1.73 1.55 1.20 0.00 0.00 173.24 178.12 1ipd h PRO 117 N 3.16 0.00 -6.80 5.44 0.13 -1.77 -3.44 132.00 128.72 1ipd h PRO 117 Ca -0.47 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 1ipd h PRO 117 Cb 1.19 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 1ipd h PRO 117 CO 0.65 0.00 -0.01 -0.51 -0.23 0.00 0.00 178.00 177.90 1ipd s LEU 118 N -4.64 3.63 0.62 1.56 1.43 -1.26 -5.05 118.68 114.97 1ipd s LEU 118 Ca 0.01 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1ipd s LEU 118 Cb 0.08 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1ipd s LEU 118 CO 0.33 -0.67 1.27 -0.54 0.23 0.00 0.00 176.35 176.97 1ipd s LYS 119 N -4.64 2.73 0.24 1.70 1.02 -1.26 -4.70 119.74 114.82 1ipd s LYS 119 Ca 0.48 1.99 -0.07 0.00 0.02 0.00 0.00 55.97 58.39 1ipd s LYS 119 Cb -0.10 -1.89 0.28 0.00 -0.52 0.00 0.00 37.83 35.59 1ipd s LYS 119 CO 0.41 -1.44 1.88 0.93 -0.92 0.00 0.00 175.35 176.20 1ipd h GLU 120 N 0.71 1.04 -0.83 1.68 5.08 -1.93 -0.06 114.58 120.27 1ipd h GLU 120 Ca -0.51 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 57.87 1ipd h GLU 120 Cb 1.32 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1ipd h GLU 120 CO 0.54 0.69 0.54 0.93 -1.00 0.00 0.00 179.01 180.71 1ipd h GLU 121 N 1.07 0.85 0.11 2.33 3.07 -1.96 -0.54 114.58 119.51 1ipd h GLU 121 Ca 0.35 -0.05 -0.31 0.00 -0.50 0.00 0.00 59.36 58.85 1ipd h GLU 121 Cb 0.03 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1ipd h GLU 121 CO -0.13 0.56 -1.58 0.97 -1.40 0.00 0.00 179.01 177.43 1ipd h ILE 122 N 0.87 1.08 -0.05 3.13 6.09 -1.71 -3.36 117.51 123.57 1ipd h ILE 122 Ca 0.37 -2.75 -0.11 0.00 -1.37 0.00 0.00 64.86 61.00 1ipd h ILE 122 Cb 0.30 2.71 -0.01 0.00 0.47 0.00 0.00 36.82 40.29 1ipd h ILE 122 CO -0.14 0.80 -0.47 0.00 -3.07 0.00 0.00 178.15 175.27 1ipd h ALA 123 N 0.49 1.13 -2.26 0.18 0.00 -0.72 -3.40 119.26 114.68 1ipd h ALA 123 Ca -0.26 -0.44 -0.55 0.00 0.00 0.00 0.00 54.91 53.66 1ipd h ALA 123 Cb 2.02 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.74 1ipd h ALA 123 CO 0.15 0.61 1.27 -2.13 0.00 0.00 0.00 179.25 179.15 1ipd n ARG 124 N -3.98 2.66 -0.44 0.00 0.63 -0.24 -2.50 116.66 112.80 1ipd n ARG 124 Ca -0.02 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1ipd n ARG 124 Cb 0.50 -3.01 0.00 0.00 0.45 0.00 0.00 32.46 30.40 1ipd n ARG 124 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ipd n GLY 125 N 4.74 0.75 3.73 5.14 0.00 -1.26 -4.86 105.19 113.43 1ipd n GLY 125 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ipd n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ipd s VAL 126 N -2.49 2.51 -0.47 1.61 1.01 -1.04 -4.84 120.40 116.69 1ipd s VAL 126 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1ipd s VAL 126 Cb 0.00 -3.25 0.19 0.00 0.00 0.00 0.00 36.38 33.32 1ipd s VAL 126 CO 0.00 0.05 0.80 -0.62 0.00 0.00 0.00 175.10 175.33 1ipd s ASP 127 N 0.82 -1.19 0.03 3.32 2.15 -1.22 -0.59 116.67 119.99 1ipd s ASP 127 Ca 0.66 -1.31 0.06 0.00 0.43 0.00 0.00 52.55 52.40 1ipd s ASP 127 Cb -0.44 1.56 -0.03 0.00 -0.30 0.00 0.00 42.92 43.70 1ipd s ASP 127 CO 0.37 -0.05 -0.16 0.54 -0.17 0.00 0.00 175.17 175.69 1ipd s VAL 128 N 1.03 2.90 -0.20 1.11 0.11 0.09 -4.41 120.40 121.02 1ipd s VAL 128 Ca 0.27 -1.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1ipd s VAL 128 Cb 0.02 -2.22 0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1ipd s VAL 128 CO -0.07 0.37 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.70 1ipd s LEU 129 N -1.37 2.49 -0.17 2.54 2.96 1.00 -0.77 118.68 125.35 1ipd s LEU 129 Ca 0.15 -0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 53.00 1ipd s LEU 129 Cb -0.11 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1ipd s LEU 129 CO 0.05 -0.09 0.37 -0.63 -1.32 0.00 0.00 176.35 174.73 1ipd s ILE 130 N 1.28 5.24 -0.28 6.68 -1.09 -0.93 -0.12 121.20 131.99 1ipd s ILE 130 Ca -0.00 0.68 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1ipd s ILE 130 Cb -0.16 -3.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 1ipd s ILE 130 CO -0.09 0.31 0.01 -0.69 -1.23 0.00 0.00 174.94 173.25 1ipd s VAL 131 N 0.90 3.32 -0.10 2.92 1.01 0.13 -0.91 120.40 127.67 1ipd s VAL 131 Ca 0.19 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ipd s VAL 131 Cb -0.14 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ipd s VAL 131 CO 0.07 0.09 -0.08 -0.60 0.00 0.00 0.00 175.10 174.59 1ipd s ARG 132 N 1.38 3.10 -0.03 2.72 3.52 -0.16 -1.96 118.95 127.51 1ipd s ARG 132 Ca 0.00 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.73 1ipd s ARG 132 Cb -0.17 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 1ipd s ARG 132 CO -0.01 0.47 1.28 -2.00 -0.81 0.00 0.00 175.30 174.23 1ipd s GLU 133 N -0.29 4.32 -0.01 5.12 -6.30 -0.81 -1.50 118.70 119.23 1ipd s GLU 133 Ca 0.04 1.79 0.17 0.00 -2.50 0.00 0.00 54.97 54.47 1ipd s GLU 133 Cb -0.13 -3.57 -0.22 0.00 0.00 0.00 0.00 34.13 30.22 1ipd s GLU 133 CO 0.02 -0.50 0.62 1.28 0.02 0.00 0.00 175.26 176.71 1ipd n LEU 134 N 5.29 0.55 -0.01 2.70 4.77 -0.07 -2.87 117.00 127.37 1ipd n LEU 134 Ca 0.12 -0.34 0.08 0.00 -0.03 0.00 0.00 56.01 55.84 1ipd n LEU 134 Cb 0.45 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1ipd n LEU 134 CO 0.57 0.14 -0.58 0.35 -1.33 0.00 0.00 177.39 176.53 1ipd n THR 135 N -1.64 0.00 -2.48 -5.08 -2.24 -1.26 -5.05 114.28 96.53 1ipd n THR 135 Ca 0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1ipd n THR 135 Cb 0.33 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1ipd n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ipd n GLY 136 N 1.53 5.68 6.50 3.38 0.00 -1.26 -4.82 105.19 116.21 1ipd n GLY 136 Ca -0.02 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ipd n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipd n GLY 137 N 5.00 -1.98 0.36 -0.02 0.00 -1.21 -4.32 105.19 103.01 1ipd n GLY 137 Ca 0.00 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.71 1ipd n GLY 137 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ipd h ILE 138 N 0.00 0.85 -0.15 -0.61 2.10 -1.84 0.21 117.51 118.07 1ipd h ILE 138 Ca 0.00 -0.10 -0.00 0.00 1.08 0.00 0.00 64.86 65.84 1ipd h ILE 138 Cb 0.00 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 36.26 1ipd h ILE 138 CO 0.00 0.05 0.09 1.88 -1.08 0.00 0.00 178.15 179.10 1ipd h TYR 139 N 0.28 0.19 0.00 2.19 0.05 -1.83 -3.17 116.97 114.68 1ipd h TYR 139 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1ipd h TYR 139 Cb 0.67 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1ipd h TYR 139 CO -0.00 0.13 -0.59 1.19 -1.05 0.00 0.00 178.16 177.84 1ipd n PHE 140 N -4.51 0.00 -1.69 4.88 3.72 -0.84 -5.08 117.46 113.94 1ipd n PHE 140 Ca -0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 1ipd n PHE 140 Cb 0.08 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 1ipd n PHE 140 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ipd n GLY 141 N 1.72 0.74 3.33 1.37 0.00 0.69 -5.01 105.19 108.03 1ipd n GLY 141 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1ipd n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ipd s GLU 142 N -1.01 1.74 0.38 1.61 8.01 -1.26 -4.10 118.70 124.07 1ipd s GLU 142 Ca 0.63 -1.09 -0.25 0.00 0.01 0.00 0.00 54.97 54.27 1ipd s GLU 142 Cb -0.60 -1.91 -0.09 0.00 -4.31 0.00 0.00 34.13 27.22 1ipd s GLU 142 CO 0.55 0.49 1.10 -2.14 0.01 0.00 0.00 175.26 175.27 1ipd s PRO 143 N -1.23 4.19 0.13 0.39 0.02 -1.26 -4.82 135.00 132.41 1ipd s PRO 143 Ca 0.11 1.67 0.05 0.00 0.02 0.00 0.00 61.00 62.85 1ipd s PRO 143 Cb -0.10 -2.68 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 1ipd s PRO 143 CO 0.02 -0.15 -0.13 -0.98 -0.33 0.00 0.00 177.00 175.43 1ipd s ARG 144 N -2.27 1.02 0.00 5.54 1.70 -1.26 -2.67 118.95 121.01 1ipd s ARG 144 Ca 0.56 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1ipd s ARG 144 Cb -0.27 -0.79 0.00 0.00 -0.57 0.00 0.00 34.95 33.32 1ipd s ARG 144 CO 0.33 0.14 0.00 0.41 -1.08 0.00 0.00 175.30 175.10 1ipd n GLY 145 N 0.33 -0.05 3.37 3.88 0.00 -0.47 -4.95 105.19 107.30 1ipd n GLY 145 Ca -0.14 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1ipd n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ipd s MET 146 N -2.00 0.84 0.00 1.61 1.75 -1.26 -1.87 119.30 118.37 1ipd s MET 146 Ca 0.00 0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.49 1ipd s MET 146 Cb 0.00 0.39 0.00 0.00 2.84 0.00 0.00 34.83 38.06 1ipd s MET 146 CO 0.00 -0.25 0.00 0.43 -0.65 0.00 0.00 175.02 174.55 1ipd n SER 147 N 1.17 0.15 -0.00 1.11 7.64 0.22 -4.94 113.62 118.96 1ipd n SER 147 Ca -0.20 -0.64 0.11 0.00 1.01 0.00 0.00 58.87 59.14 1ipd n SER 147 Cb 0.56 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 1ipd n SER 147 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ipd n GLU 148 N 0.00 0.01 -0.01 1.43 -0.58 -1.26 -4.24 120.64 115.99 1ipd n GLU 148 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ipd n GLU 148 Cb 0.00 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 1ipd n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ipd n ALA 149 N -1.49 2.03 -3.77 0.62 0.00 -1.26 -5.10 120.51 111.54 1ipd n ALA 149 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1ipd n ALA 149 Cb 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1ipd n ALA 149 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ipd s GLU 150 N -2.22 1.79 -0.07 0.00 -1.05 -1.26 -5.17 118.70 110.72 1ipd s GLU 150 Ca -0.02 -1.05 -0.09 0.00 -0.15 0.00 0.00 54.97 53.66 1ipd s GLU 150 Cb 0.02 0.59 0.02 0.00 -0.44 0.00 0.00 34.13 34.32 1ipd s GLU 150 CO 0.19 -0.81 0.23 0.00 0.95 0.00 0.00 175.26 175.81 1ipd s ALA 151 N -3.83 -0.56 0.04 -0.84 0.00 -1.26 0.69 121.76 116.00 1ipd s ALA 151 Ca 0.13 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1ipd s ALA 151 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1ipd s ALA 151 CO 0.08 -0.14 -0.07 1.67 0.00 0.00 0.00 175.76 177.29 1ipd s TRP 152 N -0.22 0.64 -0.17 0.00 -2.14 -0.78 -4.97 118.94 111.30 1ipd s TRP 152 Ca -0.03 -0.51 -0.09 0.00 2.66 0.00 0.00 56.10 58.13 1ipd s TRP 152 Cb -0.03 -0.39 0.06 0.00 -3.10 0.00 0.00 33.47 30.02 1ipd s TRP 152 CO 0.01 -0.09 0.40 -0.80 -2.66 0.00 0.00 176.95 173.81 1ipd s ASN 153 N -1.59 -0.47 -0.18 -2.66 0.01 -1.26 -1.37 114.94 107.42 1ipd s ASN 153 Ca -0.10 0.89 -0.08 0.00 -0.71 0.00 0.00 52.86 52.85 1ipd s ASN 153 Cb -0.10 0.81 -0.04 0.00 0.41 0.00 0.00 41.25 42.33 1ipd s ASN 153 CO 0.00 -0.20 0.09 -0.89 -1.51 0.00 0.00 177.10 174.59 1ipd s THR 154 N 1.51 5.03 -0.47 1.60 2.01 -1.09 -5.01 115.64 119.22 1ipd s THR 154 Ca -0.09 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.82 1ipd s THR 154 Cb -0.09 -3.27 0.08 0.00 0.01 0.00 0.00 72.50 69.23 1ipd s THR 154 CO -0.13 0.47 0.38 -0.70 -0.69 0.00 0.00 174.62 173.95 1ipd s GLU 155 N 0.23 2.91 0.04 4.92 2.56 -1.26 -3.47 118.70 124.62 1ipd s GLU 155 Ca 0.06 -1.41 0.05 0.00 0.00 0.00 0.00 54.97 53.67 1ipd s GLU 155 Cb -0.12 -4.08 -0.02 0.00 2.00 0.00 0.00 34.13 31.91 1ipd s GLU 155 CO -0.00 -1.04 -0.14 0.50 -0.56 0.00 0.00 175.26 174.01 1ipd s ARG 156 N 1.60 0.94 -0.12 4.30 3.52 -1.26 -4.89 118.95 123.03 1ipd s ARG 156 Ca 0.04 -0.76 -0.10 0.00 -0.13 0.00 0.00 55.73 54.77 1ipd s ARG 156 Cb -0.25 -0.95 0.03 0.00 -1.56 0.00 0.00 34.95 32.23 1ipd s ARG 156 CO 0.05 0.23 0.31 0.71 -0.81 0.00 0.00 175.30 175.80 1ipd s TYR 157 N -0.86 -0.35 0.14 5.12 2.02 -1.26 -3.32 117.35 118.84 1ipd s TYR 157 Ca 0.01 0.84 -0.08 0.00 -0.37 0.00 0.00 57.07 57.47 1ipd s TYR 157 Cb -0.08 0.12 -0.06 0.00 -0.40 0.00 0.00 41.96 41.54 1ipd s TYR 157 CO 0.01 -0.17 0.44 -1.12 -1.57 0.00 0.00 175.55 173.14 1ipd s SER 158 N 0.26 6.60 0.13 2.29 0.01 -1.26 -5.04 113.70 116.69 1ipd s SER 158 Ca -0.01 0.77 -0.19 0.00 1.31 0.00 0.00 55.95 57.83 1ipd s SER 158 Cb -0.03 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1ipd s SER 158 CO -0.00 0.07 1.71 0.50 0.41 0.00 0.00 173.24 175.93 1ipd h LYS 159 N 3.14 0.04 0.00 12.44 3.64 -2.00 -1.39 116.57 132.44 1ipd h LYS 159 Ca -0.47 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ipd h LYS 159 Cb 1.18 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1ipd h LYS 159 CO 0.69 0.02 -0.00 -1.35 -2.27 0.00 0.00 179.45 176.54 1ipd h PRO 160 N 0.04 0.00 -0.17 1.90 0.11 -1.98 -0.19 132.00 131.71 1ipd h PRO 160 Ca 0.10 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.00 1ipd h PRO 160 Cb 0.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.26 1ipd h PRO 160 CO -0.20 0.00 -0.74 0.93 -0.21 0.00 0.00 178.00 177.78 1ipd h GLU 161 N 0.00 0.78 -0.29 1.05 5.08 -1.68 -2.55 114.58 116.98 1ipd h GLU 161 Ca -0.00 -0.62 -0.19 0.00 -1.00 0.00 0.00 59.36 57.56 1ipd h GLU 161 Cb 0.01 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ipd h GLU 161 CO 0.00 1.23 -0.55 0.28 -1.00 0.00 0.00 179.01 178.97 1ipd h VAL 162 N 0.55 1.27 0.02 3.13 2.07 -0.98 -3.22 116.25 119.09 1ipd h VAL 162 Ca -0.04 -1.73 0.02 0.00 0.82 0.00 0.00 66.70 65.77 1ipd h VAL 162 Cb 1.36 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1ipd h VAL 162 CO 0.15 0.57 -0.15 -0.33 0.02 0.00 0.00 177.57 177.83 1ipd h GLU 163 N 0.68 -0.25 -0.12 1.57 5.08 -1.07 -0.98 114.58 119.49 1ipd h GLU 163 Ca 0.01 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ipd h GLU 163 Cb 1.16 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1ipd h GLU 163 CO 0.12 -0.17 0.06 0.07 -1.00 0.00 0.00 179.01 178.09 1ipd h ARG 164 N -0.26 0.18 -0.68 2.33 0.11 -1.54 -0.36 114.38 114.14 1ipd h ARG 164 Ca 0.05 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 60.04 1ipd h ARG 164 Cb 0.32 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 1ipd h ARG 164 CO -0.14 0.24 0.20 -0.24 0.10 0.00 0.00 179.97 180.13 1ipd h VAL 165 N 0.07 1.25 -0.76 0.08 3.04 -1.56 -1.90 116.25 116.47 1ipd h VAL 165 Ca 0.04 -0.90 -0.04 0.00 -1.01 0.00 0.00 66.70 64.80 1ipd h VAL 165 Cb 0.12 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 29.88 1ipd h VAL 165 CO -0.01 0.35 0.33 0.00 -1.01 0.00 0.00 177.57 177.24 1ipd h ALA 166 N 1.19 0.98 -0.62 3.17 0.00 -0.91 -1.76 119.26 121.31 1ipd h ALA 166 Ca 0.22 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ipd h ALA 166 Cb 0.31 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1ipd h ALA 166 CO -0.00 0.57 0.34 0.00 0.00 0.00 0.00 179.25 180.16 1ipd h ARG 167 N 1.08 0.63 0.00 0.00 3.08 -0.64 -1.16 114.38 117.37 1ipd h ARG 167 Ca 0.26 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 1ipd h ARG 167 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1ipd h ARG 167 CO -0.03 0.42 -0.22 -0.39 -1.07 0.00 0.00 179.97 178.68 1ipd h VAL 168 N 0.65 0.97 -0.30 2.04 -1.51 -0.55 -1.76 116.25 115.78 1ipd h VAL 168 Ca 0.27 -0.82 -0.12 0.00 -1.23 0.00 0.00 66.70 64.80 1ipd h VAL 168 Cb 0.15 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1ipd h VAL 168 CO -0.16 0.22 -0.29 0.00 -1.23 0.00 0.00 177.57 176.10 1ipd h ALA 169 N 1.78 0.44 -0.21 5.19 0.00 -0.61 -0.43 119.26 125.42 1ipd h ALA 169 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1ipd h ALA 169 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ipd h ALA 169 CO 0.03 0.46 -0.06 0.74 0.00 0.00 0.00 179.25 180.43 1ipd h PHE 170 N 0.49 0.47 -0.33 0.00 0.04 -1.02 0.36 116.94 116.94 1ipd h PHE 170 Ca 0.05 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1ipd h PHE 170 Cb 0.86 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 1ipd h PHE 170 CO 0.07 0.66 0.21 0.93 -0.60 0.00 0.00 178.31 179.58 1ipd h GLU 171 N 0.14 0.44 -0.55 1.51 4.39 -1.37 -1.37 114.58 117.78 1ipd h GLU 171 Ca 0.05 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1ipd h GLU 171 Cb 0.51 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1ipd h GLU 171 CO 0.02 0.32 0.27 0.00 -1.16 0.00 0.00 179.01 178.46 1ipd h ALA 172 N 1.10 0.71 -0.65 3.43 0.00 -0.90 -3.00 119.26 119.93 1ipd h ALA 172 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ipd h ALA 172 Cb -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ipd h ALA 172 CO -0.02 -0.09 0.36 0.00 0.00 0.00 0.00 179.25 179.50 1ipd h ALA 173 N 1.31 0.84 -0.36 0.00 0.00 -0.38 -2.96 119.26 117.71 1ipd h ALA 173 Ca 0.25 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1ipd h ALA 173 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ipd h ALA 173 CO -0.19 0.35 0.26 0.00 0.00 0.00 0.00 179.25 179.68 1ipd h ARG 174 N 0.89 0.00 -0.01 0.00 3.08 -1.12 0.17 114.38 117.40 1ipd h ARG 174 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1ipd h ARG 174 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ipd h ARG 174 CO -0.04 0.00 -0.08 1.63 -1.07 0.00 0.00 179.97 180.42 1ipd n LYS 175 N -4.37 0.96 0.00 0.04 5.02 -1.12 -4.73 118.16 113.96 1ipd n LYS 175 Ca 0.06 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1ipd n LYS 175 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1ipd n LYS 175 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ipd n ARG 176 N -0.70 0.00 -0.15 1.97 1.74 0.37 -5.00 116.66 114.89 1ipd n ARG 176 Ca 0.17 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.29 1ipd n ARG 176 Cb 0.27 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 31.83 1ipd n ARG 176 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ipd n ARG 177 N 0.00 2.90 -4.02 5.56 1.74 -1.16 -4.99 116.66 116.68 1ipd n ARG 177 Ca 0.00 -1.96 -0.32 0.00 -0.77 0.00 0.00 57.85 54.80 1ipd n ARG 177 Cb 0.00 -1.23 0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1ipd n ARG 177 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ipd n LYS 178 N 0.29 -4.58 -3.77 5.56 4.76 0.19 -4.96 118.16 115.65 1ipd n LYS 178 Ca 0.09 0.51 -0.22 0.00 -2.87 0.00 0.00 58.31 55.82 1ipd n LYS 178 Cb 0.40 -5.30 -0.18 0.00 -1.84 0.00 0.00 35.03 28.11 1ipd n LYS 178 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1ipd s HIS 179 N -3.33 0.60 -0.03 2.13 2.46 -1.26 -1.79 115.29 114.06 1ipd s HIS 179 Ca 0.65 -0.12 0.05 0.00 0.47 0.00 0.00 55.06 56.11 1ipd s HIS 179 Cb -0.34 -0.76 -0.02 0.00 -0.13 0.00 0.00 32.58 31.33 1ipd s HIS 179 CO 0.87 -0.31 -0.18 0.08 -2.47 0.00 0.00 174.74 172.73 1ipd s VAL 180 N 1.97 2.79 -0.20 0.89 1.01 -0.93 -1.66 120.40 124.27 1ipd s VAL 180 Ca 0.05 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1ipd s VAL 180 Cb -0.12 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.23 1ipd s VAL 180 CO -0.05 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 1ipd s VAL 181 N -0.72 1.71 -0.05 2.92 1.01 0.66 -1.64 120.40 124.29 1ipd s VAL 181 Ca 0.11 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1ipd s VAL 181 Cb -0.10 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1ipd s VAL 181 CO 0.01 0.22 0.46 -0.55 0.00 0.00 0.00 175.10 175.23 1ipd s SER 182 N 1.37 6.77 -0.19 3.32 0.15 -0.25 -0.67 113.70 124.21 1ipd s SER 182 Ca -0.01 0.91 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 1ipd s SER 182 Cb -0.16 -2.28 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1ipd s SER 182 CO -0.09 0.16 -0.10 -0.69 1.20 0.00 0.00 173.24 173.72 1ipd s VAL 183 N -0.23 2.98 0.01 4.45 1.01 -0.40 -0.73 120.40 127.50 1ipd s VAL 183 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ipd s VAL 183 Cb -0.16 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 1ipd s VAL 183 CO 0.12 0.48 0.01 -0.90 0.00 0.00 0.00 175.10 174.81 1ipd n ASP 184 N 4.41 0.22 -2.60 3.32 5.68 0.21 -4.42 116.55 123.37 1ipd n ASP 184 Ca -0.19 -1.06 -0.09 0.00 -0.50 0.00 0.00 54.79 52.95 1ipd n ASP 184 Cb 0.51 0.04 0.04 0.00 -1.14 0.00 0.00 41.12 40.57 1ipd n ASP 184 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1ipd n LYS 185 N -0.02 2.16 -0.32 0.11 3.00 -1.26 -1.30 118.16 120.53 1ipd n LYS 185 Ca 0.00 -3.68 0.14 0.00 -0.00 0.00 0.00 58.31 54.77 1ipd n LYS 185 Cb 0.02 -1.73 0.36 0.00 0.00 0.00 0.00 35.03 33.67 1ipd n LYS 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ipd h ALA 186 N 2.59 1.80 0.00 3.14 0.00 -1.77 0.15 119.26 125.17 1ipd h ALA 186 Ca 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ipd h ALA 186 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ipd h ALA 186 CO 0.42 -0.13 -0.19 -2.95 0.00 0.00 0.00 179.25 176.41 1ipd h ASN 187 N 0.70 0.00 0.00 0.00 7.08 -1.94 -3.34 115.58 118.08 1ipd h ASN 187 Ca 0.53 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.67 1ipd h ASN 187 Cb 0.91 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.13 1ipd h ASN 187 CO -0.30 0.19 -1.32 0.52 -2.08 0.00 0.00 177.43 174.43 1ipd n VAL 188 N -4.09 0.33 -4.28 6.14 0.31 -0.80 -5.04 118.33 110.89 1ipd n VAL 188 Ca -0.02 -0.14 -0.35 0.00 -0.01 0.00 0.00 64.34 63.82 1ipd n VAL 188 Cb 0.26 -0.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.37 1ipd n VAL 188 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ipd s LEU 189 N -5.19 3.71 0.20 7.52 1.43 0.47 -4.99 118.68 121.84 1ipd s LEU 189 Ca -0.07 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1ipd s LEU 189 Cb 0.02 -1.90 0.25 0.00 0.03 0.00 0.00 46.19 44.59 1ipd s LEU 189 CO 0.14 0.37 1.70 -0.33 0.23 0.00 0.00 176.35 178.46 1ipd h GLU 190 N 5.00 0.19 -0.70 1.70 3.07 -1.87 0.12 114.58 122.11 1ipd h GLU 190 Ca -0.51 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.43 1ipd h GLU 190 Cb 1.20 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.99 1ipd h GLU 190 CO 0.56 0.13 0.34 0.28 -1.40 0.00 0.00 179.01 178.92 1ipd h VAL 191 N 0.20 0.85 0.15 3.13 2.07 -1.92 0.24 116.25 120.96 1ipd h VAL 191 Ca 0.29 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1ipd h VAL 191 Cb 0.43 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ipd h VAL 191 CO -0.41 0.11 -0.14 1.23 0.02 0.00 0.00 177.57 178.38 1ipd h GLY 192 N 0.59 -0.30 0.77 2.17 0.00 -1.06 -0.15 103.07 105.09 1ipd h GLY 192 Ca 0.34 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.87 1ipd h GLY 192 CO -0.26 -0.14 0.15 -2.09 0.00 0.00 0.00 176.54 174.20 1ipd h GLU 193 N -0.32 0.31 -0.60 4.80 4.81 -0.15 -1.58 114.58 121.85 1ipd h GLU 193 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ipd h GLU 193 Cb 0.30 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1ipd h GLU 193 CO -0.04 0.21 0.37 0.35 -0.73 0.00 0.00 179.01 179.17 1ipd h PHE 194 N 0.32 0.78 -0.38 0.92 3.57 -0.32 -1.51 116.94 120.32 1ipd h PHE 194 Ca 0.15 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1ipd h PHE 194 Cb 0.09 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1ipd h PHE 194 CO -0.12 0.53 0.22 2.35 -2.23 0.00 0.00 178.31 179.06 1ipd h TRP 195 N 0.81 0.41 -0.15 0.41 2.91 -0.72 -2.05 115.95 117.56 1ipd h TRP 195 Ca 0.22 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 1ipd h TRP 195 Cb -0.03 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.48 1ipd h TRP 195 CO -0.02 0.24 0.08 -0.09 -1.03 0.00 0.00 178.44 177.62 1ipd h ARG 196 N 0.45 0.22 -0.68 2.65 2.43 -1.02 -1.96 114.38 116.46 1ipd h ARG 196 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1ipd h ARG 196 Cb 0.00 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1ipd h ARG 196 CO -0.07 0.26 0.35 1.57 -1.51 0.00 0.00 179.97 180.58 1ipd h LYS 197 N 0.13 0.97 -0.46 0.20 2.10 -1.10 -2.19 116.57 116.22 1ipd h LYS 197 Ca 0.05 -0.13 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 1ipd h LYS 197 Cb 0.11 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.24 1ipd h LYS 197 CO -0.01 0.75 0.16 1.15 -2.00 0.00 0.00 179.45 179.50 1ipd h THR 198 N 0.94 1.22 0.00 0.07 2.02 -1.30 -2.31 112.91 113.56 1ipd h THR 198 Ca 0.24 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1ipd h THR 198 Cb 0.08 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1ipd h THR 198 CO -0.03 0.26 -0.27 0.58 0.37 0.00 0.00 175.52 176.42 1ipd h VAL 199 N 0.61 1.17 -0.26 3.16 2.07 -1.21 -0.99 116.25 120.80 1ipd h VAL 199 Ca 0.15 -0.93 -0.19 0.00 0.82 0.00 0.00 66.70 66.55 1ipd h VAL 199 Cb 0.24 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1ipd h VAL 199 CO -0.01 0.27 -0.59 -0.08 0.02 0.00 0.00 177.57 177.18 1ipd h GLU 200 N 0.00 0.83 0.54 1.57 4.57 -1.16 -1.94 114.58 118.99 1ipd h GLU 200 Ca -0.00 -0.55 -0.03 0.00 -1.18 0.00 0.00 59.36 57.60 1ipd h GLU 200 Cb 0.49 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1ipd h GLU 200 CO 0.04 1.18 -0.26 1.49 -1.18 0.00 0.00 179.01 180.27 1ipd h GLU 201 N 0.63 -0.70 -0.77 1.92 4.81 -1.07 -2.93 114.58 116.47 1ipd h GLU 201 Ca 0.00 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.45 1ipd h GLU 201 Cb 1.19 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.62 1ipd h GLU 201 CO 0.13 -0.40 0.22 0.28 -0.73 0.00 0.00 179.01 178.51 1ipd h VAL 202 N -0.93 0.52 -0.94 0.32 2.07 -1.23 -1.15 116.25 114.91 1ipd h VAL 202 Ca -0.07 -0.10 0.27 0.00 0.82 0.00 0.00 66.70 67.61 1ipd h VAL 202 Cb 0.62 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1ipd h VAL 202 CO 0.12 0.06 0.67 1.23 0.02 0.00 0.00 177.57 179.67 1ipd h GLY 203 N 0.31 0.09 1.79 2.17 0.00 -1.16 -1.28 103.07 104.99 1ipd h GLY 203 Ca 0.44 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1ipd h GLY 203 CO -0.51 -0.01 0.08 3.21 0.00 0.00 0.00 176.54 179.32 1ipd h ARG 204 N 0.04 0.00 0.00 4.80 3.08 -1.14 -1.46 114.38 119.70 1ipd h ARG 204 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1ipd h ARG 204 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.79 1ipd h ARG 204 CO -0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 1ipd n GLY 205 N -1.44 -1.16 2.38 0.04 0.00 -0.48 -4.23 105.19 100.29 1ipd n GLY 205 Ca -0.01 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1ipd n GLY 205 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ipd n TYR 206 N -1.35 1.52 0.31 1.61 4.02 -0.55 -4.93 117.16 117.79 1ipd n TYR 206 Ca 0.10 -3.84 0.19 0.00 -0.01 0.00 0.00 57.90 54.33 1ipd n TYR 206 Cb 0.22 -0.39 1.00 0.00 -0.02 0.00 0.00 39.34 40.14 1ipd n TYR 206 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ipd h PRO 207 N 4.39 0.00 -0.00 -0.72 0.13 -1.74 -2.56 132.00 131.50 1ipd h PRO 207 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ipd h PRO 207 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ipd h PRO 207 CO 0.62 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1ipd n ASP 208 N -3.30 0.01 -4.12 1.44 5.75 -1.26 -4.78 116.55 110.29 1ipd n ASP 208 Ca -0.02 -1.19 -0.26 0.00 -0.01 0.00 0.00 54.79 53.30 1ipd n ASP 208 Cb 0.14 -0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.07 1ipd n ASP 208 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ipd s VAL 209 N -2.00 1.42 0.30 2.12 1.01 -0.97 -4.92 120.40 117.36 1ipd s VAL 209 Ca 0.39 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1ipd s VAL 209 Cb 0.18 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 1ipd s VAL 209 CO 0.30 0.41 1.03 0.00 0.00 0.00 0.00 175.10 176.85 1ipd s ALA 210 N 0.17 3.30 -0.05 5.51 0.00 -0.74 -4.96 121.76 124.99 1ipd s ALA 210 Ca -0.07 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1ipd s ALA 210 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1ipd s ALA 210 CO 0.03 -0.05 -0.22 -1.17 0.00 0.00 0.00 175.76 174.35 1ipd s LEU 211 N -1.71 2.01 0.06 0.00 2.96 -1.26 -2.19 118.68 118.56 1ipd s LEU 211 Ca 0.47 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1ipd s LEU 211 Cb -0.27 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1ipd s LEU 211 CO 0.34 0.22 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.84 1ipd s GLU 212 N -0.12 0.67 0.06 1.98 2.12 -0.65 -4.99 118.70 117.76 1ipd s GLU 212 Ca -0.03 -1.21 0.06 0.00 0.36 0.00 0.00 54.97 54.15 1ipd s GLU 212 Cb -0.13 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 1ipd s GLU 212 CO 0.03 -0.07 -0.16 -1.01 -0.54 0.00 0.00 175.26 173.51 1ipd s HIS 213 N -3.58 1.41 0.03 5.30 3.76 -1.26 -1.09 115.29 119.86 1ipd s HIS 213 Ca 0.07 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 1ipd s HIS 213 Cb 0.05 -0.81 0.01 0.00 1.11 0.00 0.00 32.58 32.94 1ipd s HIS 213 CO -0.07 0.08 0.24 -0.65 -0.85 0.00 0.00 174.74 173.49 1ipd s GLN 214 N -1.46 0.71 0.27 1.40 -1.52 0.09 -4.92 119.66 114.22 1ipd s GLN 214 Ca 0.02 -0.51 -0.29 0.00 -1.95 0.00 0.00 55.36 52.64 1ipd s GLN 214 Cb -0.09 0.30 -0.09 0.00 -0.22 0.00 0.00 33.01 32.91 1ipd s GLN 214 CO 0.02 -0.21 0.96 0.71 -0.25 0.00 0.00 175.29 176.52 1ipd s TYR 215 N -2.28 3.86 0.38 0.91 2.02 -1.26 -0.62 117.35 120.36 1ipd s TYR 215 Ca -0.07 1.86 0.07 0.00 -0.37 0.00 0.00 57.07 58.56 1ipd s TYR 215 Cb -0.02 -3.00 0.80 0.00 -0.40 0.00 0.00 41.96 39.33 1ipd s TYR 215 CO -0.02 0.27 1.96 -0.24 -1.57 0.00 0.00 175.55 175.95 1ipd h VAL 216 N 3.00 0.99 -0.56 0.71 3.04 -1.53 -0.35 116.25 121.56 1ipd h VAL 216 Ca -0.46 -0.24 -0.06 0.00 -1.01 0.00 0.00 66.70 64.93 1ipd h VAL 216 Cb 1.20 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.70 1ipd h VAL 216 CO 0.67 0.13 0.10 -2.24 -1.01 0.00 0.00 177.57 175.21 1ipd h ASP 217 N 0.69 0.88 -0.38 3.17 2.03 -1.92 -1.10 116.42 119.79 1ipd h ASP 217 Ca 0.31 -0.26 -0.13 0.00 -0.73 0.00 0.00 57.03 56.23 1ipd h ASP 217 Cb 0.32 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1ipd h ASP 217 CO -0.10 0.91 -0.25 0.00 -1.03 0.00 0.00 179.24 178.77 1ipd h ALA 218 N 1.00 0.54 -0.51 4.15 0.00 -1.57 -3.13 119.26 119.75 1ipd h ALA 218 Ca 0.17 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1ipd h ALA 218 Cb 0.40 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1ipd h ALA 218 CO 0.01 0.54 0.22 1.98 0.00 0.00 0.00 179.25 182.00 1ipd h MET 219 N 0.65 0.42 -0.59 0.00 -1.53 -0.91 -1.80 114.93 111.17 1ipd h MET 219 Ca 0.08 -0.03 0.10 0.00 -3.44 0.00 0.00 59.70 56.41 1ipd h MET 219 Cb 0.82 -0.09 -0.08 0.00 -0.55 0.00 0.00 31.60 31.70 1ipd h MET 219 CO 0.07 0.28 0.16 0.00 0.14 0.00 0.00 176.91 177.56 1ipd h ALA 220 N 1.30 0.72 -0.61 0.39 0.00 -1.15 -0.12 119.26 119.79 1ipd h ALA 220 Ca 0.23 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1ipd h ALA 220 Cb 0.19 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ipd h ALA 220 CO -0.20 -0.26 0.16 0.52 0.00 0.00 0.00 179.25 179.47 1ipd h MET 221 N 0.31 0.98 -0.16 0.00 2.86 -1.49 -3.10 114.93 114.33 1ipd h MET 221 Ca 0.30 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1ipd h MET 221 Cb 0.41 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1ipd h MET 221 CO -0.35 0.88 -0.33 0.45 1.06 0.00 0.00 176.91 178.63 1ipd h HIS 222 N 0.89 0.37 0.00 -0.22 3.86 -0.46 -1.05 115.15 118.55 1ipd h HIS 222 Ca 0.19 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1ipd h HIS 222 Cb 0.34 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1ipd h HIS 222 CO 0.02 0.62 0.00 1.28 0.86 0.00 0.00 177.93 180.72 1ipd n LEU 223 N -4.09 0.32 -0.11 2.43 4.77 -0.15 -0.80 117.00 119.38 1ipd n LEU 223 Ca -0.01 0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 56.34 1ipd n LEU 223 Cb 0.43 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1ipd n LEU 223 CO 0.41 -0.35 -1.21 0.52 -1.33 0.00 0.00 177.39 175.43 1ipd n VAL 224 N -1.84 1.17 -0.06 4.08 0.31 -1.09 -4.22 118.33 116.68 1ipd n VAL 224 Ca 0.03 -0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 63.86 1ipd n VAL 224 Cb 0.22 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 1ipd n VAL 224 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ipd h ARG 225 N -0.48 0.67 -0.03 5.55 3.08 -1.21 -3.42 114.38 118.54 1ipd h ARG 225 Ca -0.51 -0.45 -0.24 0.00 0.07 0.00 0.00 59.98 58.85 1ipd h ARG 225 Cb 1.56 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 31.53 1ipd h ARG 225 CO -0.23 1.07 -0.47 -1.13 -1.07 0.00 0.00 179.97 178.14 1ipd n SER 226 N -4.18 -2.54 0.28 7.04 3.41 0.02 -4.96 113.62 112.69 1ipd n SER 226 Ca -0.06 -3.53 0.12 0.00 -0.26 0.00 0.00 58.87 55.14 1ipd n SER 226 Cb 0.58 1.86 0.79 0.00 -0.26 0.00 0.00 64.21 67.17 1ipd n SER 226 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ipd h PRO 227 N 3.43 0.00 0.00 4.33 0.13 -1.63 -2.35 132.00 135.92 1ipd h PRO 227 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1ipd h PRO 227 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ipd h PRO 227 CO 0.22 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.02 1ipd n ALA 228 N -2.39 1.29 1.37 -0.56 0.00 -1.26 -2.23 120.51 116.73 1ipd n ALA 228 Ca -0.03 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1ipd n ALA 228 Cb 0.12 -1.07 0.43 0.00 0.00 0.00 0.00 19.45 18.92 1ipd n ALA 228 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ipd n ARG 229 N -1.41 1.55 -4.06 0.00 1.85 -0.88 -4.86 116.66 108.85 1ipd n ARG 229 Ca 0.02 -0.98 -0.23 0.00 -1.00 0.00 0.00 57.85 55.65 1ipd n ARG 229 Cb 0.05 -1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 29.94 1ipd n ARG 229 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ipd s PHE 230 N -2.12 3.22 0.00 2.89 0.08 -0.95 -5.05 117.98 116.05 1ipd s PHE 230 Ca 0.33 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1ipd s PHE 230 Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 1ipd s PHE 230 CO 0.38 0.51 0.00 -3.47 -0.10 0.00 0.00 175.22 172.53 1ipd n ASP 231 N -0.91 0.00 -4.61 1.36 2.03 -1.26 -4.38 116.55 108.78 1ipd n ASP 231 Ca -0.08 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.89 1ipd n ASP 231 Cb 0.56 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.86 1ipd n ASP 231 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ipd s VAL 232 N 0.00 4.14 -0.08 5.18 1.01 -0.66 -0.00 120.40 129.98 1ipd s VAL 232 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1ipd s VAL 232 Cb 0.00 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1ipd s VAL 232 CO 0.00 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 1ipd s VAL 233 N -0.38 1.45 -0.00 2.92 1.01 0.83 -0.24 120.40 125.98 1ipd s VAL 233 Ca 0.07 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1ipd s VAL 233 Cb -0.12 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1ipd s VAL 233 CO 0.02 0.43 -0.21 0.54 0.00 0.00 0.00 175.10 175.88 1ipd s VAL 234 N 0.66 1.66 0.36 2.92 0.11 0.16 0.22 120.40 126.48 1ipd s VAL 234 Ca -0.14 -0.95 -0.17 0.00 -2.93 0.00 0.00 61.98 57.79 1ipd s VAL 234 Cb -0.16 -1.39 0.05 0.00 -1.53 0.00 0.00 36.38 33.35 1ipd s VAL 234 CO 0.04 0.42 0.80 0.28 -3.33 0.00 0.00 175.10 173.31 1ipd s THR 235 N -0.55 0.00 1.30 5.04 -1.32 -0.83 -1.27 115.64 118.02 1ipd s THR 235 Ca 0.08 -0.97 -0.20 0.00 -1.21 0.00 0.00 61.69 59.38 1ipd s THR 235 Cb -0.08 -2.75 0.32 0.00 -1.51 0.00 0.00 72.50 68.48 1ipd s THR 235 CO -0.00 0.00 1.02 -0.83 -2.21 0.00 0.00 174.62 172.60 1ipd s GLY 236 N -3.07 1.50 0.03 6.08 0.00 -1.26 -1.93 107.32 108.67 1ipd s GLY 236 Ca 0.15 -0.83 -0.15 0.00 0.00 0.00 0.00 44.72 43.89 1ipd s GLY 236 CO 0.10 0.10 1.24 -0.57 0.00 0.00 0.00 173.10 173.97 1ipd h ASN 237 N -2.98 -0.58 -0.57 1.64 -0.73 -1.79 0.23 115.58 110.79 1ipd h ASN 237 Ca -0.45 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 57.75 1ipd h ASN 237 Cb 1.32 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 40.07 1ipd h ASN 237 CO 0.33 -0.30 0.31 -0.29 -0.37 0.00 0.00 177.43 177.11 1ipd h ILE 238 N -0.46 1.19 -0.40 2.57 2.10 -1.89 -0.24 117.51 120.38 1ipd h ILE 238 Ca -0.03 -0.50 -0.10 0.00 1.08 0.00 0.00 64.86 65.31 1ipd h ILE 238 Cb 0.39 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 36.57 1ipd h ILE 238 CO -0.01 0.21 -0.15 -0.26 -1.08 0.00 0.00 178.15 176.86 1ipd h PHE 239 N 0.78 0.83 -0.02 2.19 0.04 -1.93 -2.17 116.94 116.65 1ipd h PHE 239 Ca 0.20 -0.16 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 1ipd h PHE 239 Cb 0.06 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1ipd h PHE 239 CO -0.01 0.85 -0.52 0.78 -0.60 0.00 0.00 178.31 178.81 1ipd h GLY 240 N 0.97 0.05 0.99 -1.45 0.00 -0.13 -0.01 103.07 103.49 1ipd h GLY 240 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 1ipd h GLY 240 CO 0.04 0.05 -0.12 -1.80 0.00 0.00 0.00 176.54 174.72 1ipd h ASP 241 N 0.04 0.79 0.22 0.19 3.58 -0.79 -1.12 116.42 119.33 1ipd h ASP 241 Ca -0.00 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 1ipd h ASP 241 Cb 0.94 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1ipd h ASP 241 CO 0.07 0.98 -0.11 0.40 -2.88 0.00 0.00 179.24 177.71 1ipd h ILE 242 N 0.59 0.67 -0.20 2.25 2.04 -1.26 -3.12 117.51 118.49 1ipd h ILE 242 Ca 0.10 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1ipd h ILE 242 Cb 0.65 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1ipd h ILE 242 CO 0.04 0.17 0.13 -0.07 0.00 0.00 0.00 178.15 178.42 1ipd h LEU 243 N -0.90 0.17 -0.29 1.44 3.38 -1.06 -1.77 115.31 116.28 1ipd h LEU 243 Ca -0.03 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1ipd h LEU 243 Cb 0.50 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1ipd h LEU 243 CO 0.05 0.12 -0.69 0.77 0.09 0.00 0.00 178.44 178.78 1ipd h SER 244 N 0.20 0.00 -0.12 -0.43 4.64 -1.28 -2.02 113.55 114.54 1ipd h SER 244 Ca 0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1ipd h SER 244 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1ipd h SER 244 CO -0.01 0.69 -0.41 0.44 -0.87 0.00 0.00 176.83 176.67 1ipd h ASP 245 N 0.00 0.57 0.24 4.97 3.32 -1.38 -1.17 116.42 122.97 1ipd h ASP 245 Ca -0.01 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.44 1ipd h ASP 245 Cb 1.40 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1ipd h ASP 245 CO 0.09 1.08 -0.29 0.25 -1.72 0.00 0.00 179.24 178.65 1ipd h LEU 246 N 0.09 -0.80 -1.35 1.55 6.46 -1.37 -2.44 115.31 117.45 1ipd h LEU 246 Ca -0.02 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1ipd h LEU 246 Cb 1.03 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1ipd h LEU 246 CO 0.09 -0.41 -0.07 0.00 -0.62 0.00 0.00 178.44 177.43 1ipd h ALA 247 N 0.04 1.47 -0.00 1.25 0.00 -1.41 -2.44 119.26 118.16 1ipd h ALA 247 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ipd h ALA 247 Cb 0.55 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ipd h ALA 247 CO -0.09 0.38 0.02 0.66 0.00 0.00 0.00 179.25 180.21 1ipd h SER 248 N 0.33 0.00 0.64 0.00 4.64 -0.70 -1.99 113.55 116.46 1ipd h SER 248 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ipd h SER 248 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ipd h SER 248 CO 0.02 0.00 -0.63 1.33 -0.87 0.00 0.00 176.83 176.67 1ipd n VAL 249 N -3.21 0.17 0.20 0.95 0.24 -0.92 -4.43 118.33 111.33 1ipd n VAL 249 Ca -0.03 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.34 61.97 1ipd n VAL 249 Cb 0.10 0.09 -0.07 0.00 -1.47 0.00 0.00 33.84 32.48 1ipd n VAL 249 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ipd h LEU 250 N 0.00 -1.02 -0.45 1.34 4.07 -1.47 -2.76 115.31 115.03 1ipd h LEU 250 Ca 0.00 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1ipd h LEU 250 Cb 0.63 0.36 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1ipd h LEU 250 CO 0.00 -0.49 0.00 -2.65 -1.08 0.00 0.00 178.44 174.22 1ipd n PRO 251 N -5.46 0.07 -1.32 1.13 -0.02 -1.26 -3.99 135.00 124.15 1ipd n PRO 251 Ca -0.09 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.72 1ipd n PRO 251 Cb 0.37 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 1ipd n PRO 251 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ipd n GLY 252 N -0.68 1.17 3.15 -1.23 0.00 -1.04 -4.05 105.19 102.51 1ipd n GLY 252 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1ipd n GLY 252 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ipd s SER 253 N -2.88 -1.48 0.00 1.61 0.15 -1.26 -4.83 113.70 105.01 1ipd s SER 253 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1ipd s SER 253 Cb 0.00 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 1ipd s SER 253 CO 0.00 -0.26 0.38 0.18 1.20 0.00 0.00 173.24 174.74 1ipd n LEU 254 N 5.06 1.09 0.00 3.45 4.32 -1.26 -1.72 117.00 127.93 1ipd n LEU 254 Ca 0.07 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 1ipd n LEU 254 Cb 0.55 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1ipd n LEU 254 CO -0.03 0.19 -0.08 0.61 -1.22 0.00 0.00 177.39 176.86 1ipd n GLY 255 N 0.67 0.85 0.35 -0.72 0.00 -1.26 -4.36 105.19 100.72 1ipd n GLY 255 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1ipd n GLY 255 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ipd n LEU 256 N -1.08 1.26 -4.66 0.99 4.77 -0.70 -3.96 117.00 113.62 1ipd n LEU 256 Ca 0.00 -0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.20 1ipd n LEU 256 Cb 0.00 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1ipd n LEU 256 CO 0.00 0.23 0.38 -0.76 -1.33 0.00 0.00 177.39 175.91 1ipd s LEU 257 N -2.33 4.15 0.73 2.23 1.43 -1.26 -4.28 118.68 119.34 1ipd s LEU 257 Ca 0.29 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1ipd s LEU 257 Cb 0.20 -2.90 0.12 0.00 0.03 0.00 0.00 46.19 43.64 1ipd s LEU 257 CO 0.46 -0.27 1.00 -2.16 0.23 0.00 0.00 176.35 175.61 1ipd s PRO 258 N 1.90 1.69 -0.11 1.29 0.04 -1.26 -1.35 135.00 137.20 1ipd s PRO 258 Ca 0.29 -0.98 -0.26 0.00 0.04 0.00 0.00 61.00 60.08 1ipd s PRO 258 Cb -0.16 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.15 1ipd s PRO 258 CO 0.10 -1.46 0.62 0.45 0.04 0.00 0.00 177.00 176.76 1ipd s SER 259 N -4.71 -0.61 0.05 6.66 0.15 0.21 -4.46 113.70 110.99 1ipd s SER 259 Ca 0.66 0.84 0.03 0.00 0.70 0.00 0.00 55.95 58.17 1ipd s SER 259 Cb -0.06 0.77 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1ipd s SER 259 CO 0.45 -0.46 -0.09 0.00 1.20 0.00 0.00 173.24 174.33 1ipd s ALA 260 N -0.70 0.70 -0.10 5.45 0.00 -0.50 -0.25 121.76 126.36 1ipd s ALA 260 Ca -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1ipd s ALA 260 Cb -0.02 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1ipd s ALA 260 CO 0.06 0.01 -0.04 -1.12 0.00 0.00 0.00 175.76 174.68 1ipd s SER 261 N -1.63 1.93 0.24 0.00 0.01 -0.47 0.92 113.70 114.70 1ipd s SER 261 Ca -0.08 -0.22 0.10 0.00 1.31 0.00 0.00 55.95 57.06 1ipd s SER 261 Cb -0.10 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1ipd s SER 261 CO 0.01 -0.16 -0.09 -0.76 0.41 0.00 0.00 173.24 172.64 1ipd s LEU 262 N 1.84 2.94 0.00 2.44 1.02 0.60 -2.27 118.68 125.25 1ipd s LEU 262 Ca 0.05 -0.72 0.00 0.00 0.02 0.00 0.00 54.13 53.47 1ipd s LEU 262 Cb -0.13 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.56 1ipd s LEU 262 CO -0.07 0.05 0.00 0.61 0.02 0.00 0.00 176.35 176.96 1ipd n GLY 263 N -0.46 -0.95 0.14 -3.19 0.00 -1.26 -0.53 105.19 98.93 1ipd n GLY 263 Ca -0.08 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1ipd n GLY 263 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ipd h ARG 264 N 0.00 0.34 0.00 1.61 2.43 -1.56 -3.48 114.38 113.72 1ipd h ARG 264 Ca 0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1ipd h ARG 264 Cb 0.00 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1ipd h ARG 264 CO 0.00 1.25 0.00 0.41 -1.51 0.00 0.00 179.97 180.12 1ipd n GLY 265 N 1.85 -0.32 3.71 2.80 0.00 0.18 -5.01 105.19 108.41 1ipd n GLY 265 Ca -0.25 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1ipd n GLY 265 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ipd s THR 266 N 0.31 3.64 0.47 2.61 2.01 -1.26 -4.99 115.64 118.44 1ipd s THR 266 Ca 0.00 1.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.96 1ipd s THR 266 Cb 0.00 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 1ipd s THR 266 CO 0.00 0.09 1.12 -2.16 -0.69 0.00 0.00 174.62 172.99 1ipd s PRO 267 N 1.08 3.75 -0.12 4.92 0.04 -1.26 -4.85 135.00 138.56 1ipd s PRO 267 Ca 0.62 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1ipd s PRO 267 Cb -0.33 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 1ipd s PRO 267 CO 0.30 -0.53 -0.19 0.08 0.04 0.00 0.00 177.00 176.70 1ipd s VAL 268 N -1.66 2.48 -0.10 -0.36 1.01 -0.96 -1.01 120.40 119.80 1ipd s VAL 268 Ca 0.65 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1ipd s VAL 268 Cb -0.25 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1ipd s VAL 268 CO 0.30 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.38 1ipd s PHE 269 N 0.42 2.62 -0.17 5.22 0.40 -0.66 -1.37 117.98 124.44 1ipd s PHE 269 Ca -0.14 -0.86 -0.24 0.00 -0.60 0.00 0.00 56.93 55.08 1ipd s PHE 269 Cb -0.17 -1.73 0.06 0.00 0.51 0.00 0.00 43.02 41.69 1ipd s PHE 269 CO 0.06 -0.31 0.63 -1.83 0.70 0.00 0.00 175.22 174.47 1ipd s GLU 270 N 0.24 0.84 0.46 0.44 -1.05 0.65 -0.64 118.70 119.64 1ipd s GLU 270 Ca -0.14 0.64 -0.24 0.00 -0.15 0.00 0.00 54.97 55.09 1ipd s GLU 270 Cb -0.17 0.40 -0.07 0.00 -0.44 0.00 0.00 34.13 33.85 1ipd s GLU 270 CO 0.07 -0.17 1.24 -1.25 0.95 0.00 0.00 175.26 176.10 1ipd s PRO 271 N -0.21 3.72 0.13 -4.83 0.04 -1.26 -0.62 135.00 131.97 1ipd s PRO 271 Ca -0.04 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1ipd s PRO 271 Cb -0.03 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1ipd s PRO 271 CO 0.04 -0.64 1.48 0.28 0.04 0.00 0.00 177.00 178.20 1ipd h VAL 272 N 1.98 1.28 -3.07 -0.36 2.07 -1.48 -3.46 116.25 113.21 1ipd h VAL 272 Ca -0.50 -1.48 -0.48 0.00 0.82 0.00 0.00 66.70 65.06 1ipd h VAL 272 Cb 1.26 1.37 0.22 0.00 -1.52 0.00 0.00 31.29 32.62 1ipd h VAL 272 CO 0.60 0.49 -0.55 0.00 0.02 0.00 0.00 177.57 178.14 1ipd n HIS 273 N -4.14 -1.11 -1.67 1.57 1.44 -1.26 -5.05 115.22 105.00 1ipd n HIS 273 Ca -0.02 0.14 -0.11 0.00 -2.01 0.00 0.00 57.72 55.72 1ipd n HIS 273 Cb 0.50 -1.71 0.07 0.00 0.12 0.00 0.00 29.99 28.97 1ipd n HIS 273 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ipd n GLY 274 N 1.44 -0.67 0.27 -1.39 0.00 -1.26 -4.87 105.19 98.71 1ipd n GLY 274 Ca 0.04 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1ipd n GLY 274 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ipd h SER 275 N -0.55 0.92 -6.53 1.61 0.02 -1.85 -3.46 113.55 103.72 1ipd h SER 275 Ca -0.16 -0.33 -0.46 0.00 -0.84 0.00 0.00 61.79 60.01 1ipd h SER 275 Cb 0.47 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ipd h SER 275 CO 0.12 1.03 -0.92 0.00 -1.14 0.00 0.00 176.83 175.92 1ipd n ALA 276 N -2.46 -2.65 0.09 3.77 0.00 -1.26 0.21 120.51 118.21 1ipd n ALA 276 Ca 0.01 -0.34 0.10 0.00 0.00 0.00 0.00 53.44 53.21 1ipd n ALA 276 Cb 0.35 -2.34 0.58 0.00 0.00 0.00 0.00 19.45 18.04 1ipd n ALA 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ipd h PRO 277 N -1.39 0.19 -1.00 0.00 0.11 -1.93 -2.29 132.00 125.69 1ipd h PRO 277 Ca -0.61 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.71 1ipd h PRO 277 Cb 1.35 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 1ipd h PRO 277 CO 0.44 0.13 0.59 0.38 -0.21 0.00 0.00 178.00 179.33 1ipd h ASP 278 N 0.20 0.70 1.19 -2.05 2.03 -2.00 -1.15 116.42 115.34 1ipd h ASP 278 Ca 0.13 0.12 -0.02 0.00 -0.73 0.00 0.00 57.03 56.53 1ipd h ASP 278 Cb 0.26 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1ipd h ASP 278 CO -0.02 0.17 -0.82 0.40 -1.03 0.00 0.00 179.24 177.93 1ipd h ILE 279 N 0.65 0.08 -1.69 4.15 2.04 -1.77 -3.48 117.51 117.50 1ipd h ILE 279 Ca 0.61 -1.14 -0.67 0.00 1.00 0.00 0.00 64.86 64.66 1ipd h ILE 279 Cb 1.08 1.69 0.08 0.00 -0.74 0.00 0.00 36.82 38.93 1ipd h ILE 279 CO -0.44 0.05 0.07 0.00 0.00 0.00 0.00 178.15 177.83 1ipd n ALA 280 N -2.19 -1.53 -0.64 1.87 0.00 -0.44 -1.11 120.51 116.48 1ipd n ALA 280 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ipd n ALA 280 Cb 0.58 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ipd n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ipd n GLY 281 N 1.85 0.87 0.15 0.00 0.00 -1.26 -4.85 105.19 101.94 1ipd n GLY 281 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1ipd n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ipd h LYS 282 N 1.72 0.00 0.00 1.61 1.57 -1.48 -3.49 116.57 116.50 1ipd h LYS 282 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ipd h LYS 282 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ipd h LYS 282 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1ipd n GLY 283 N 1.08 0.81 3.81 3.86 0.00 -1.26 -4.94 105.19 108.54 1ipd n GLY 283 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ipd n GLY 283 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ipd n ILE 284 N 0.00 0.00 -1.73 -0.61 -5.35 -1.26 -4.65 119.36 105.76 1ipd n ILE 284 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 1ipd n ILE 284 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 1ipd n ILE 284 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ipd n ALA 285 N 0.07 2.02 -2.58 -1.28 0.00 -1.26 -4.34 120.51 113.13 1ipd n ALA 285 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1ipd n ALA 285 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 1ipd n ALA 285 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ipd s ASN 286 N 0.21 6.57 0.00 0.00 3.04 -1.26 -3.43 114.94 120.06 1ipd s ASN 286 Ca 0.61 0.30 0.22 0.00 0.04 0.00 0.00 52.86 54.03 1ipd s ASN 286 Cb -0.54 -2.50 1.07 0.00 -1.54 0.00 0.00 41.25 37.75 1ipd s ASN 286 CO 0.54 -1.14 1.72 -0.81 -3.04 0.00 0.00 177.10 174.37 1ipd n PRO 287 N 7.47 1.32 -0.19 0.43 -0.04 -1.26 -4.43 135.00 138.29 1ipd n PRO 287 Ca 0.09 -0.47 -0.01 0.00 -0.04 0.00 0.00 63.50 63.07 1ipd n PRO 287 Cb 0.49 -1.37 0.07 0.00 -0.04 0.00 0.00 33.50 32.65 1ipd n PRO 287 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1ipd h THR 288 N 1.00 0.49 -0.47 0.52 2.02 -1.91 0.27 112.91 114.82 1ipd h THR 288 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 1ipd h THR 288 Cb 0.22 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1ipd h THR 288 CO 0.00 0.01 -0.17 0.00 0.37 0.00 0.00 175.52 175.74 1ipd h ALA 289 N 1.54 0.81 -0.56 6.16 0.00 -1.75 -0.32 119.26 125.14 1ipd h ALA 289 Ca 0.29 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ipd h ALA 289 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ipd h ALA 289 CO -0.53 0.65 0.17 0.00 0.00 0.00 0.00 179.25 179.55 1ipd h ALA 290 N 0.99 0.74 -0.22 0.00 0.00 -1.64 0.10 119.26 119.24 1ipd h ALA 290 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ipd h ALA 290 Cb 0.71 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ipd h ALA 290 CO 0.05 0.41 0.02 0.82 0.00 0.00 0.00 179.25 180.56 1ipd h ILE 291 N 0.79 1.24 0.00 0.00 2.04 -0.31 -1.49 117.51 119.78 1ipd h ILE 291 Ca 0.18 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1ipd h ILE 291 Cb 0.29 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1ipd h ILE 291 CO -0.00 0.25 -0.05 -0.07 0.00 0.00 0.00 178.15 178.27 1ipd h LEU 292 N 0.16 0.00 -0.14 1.44 3.38 -0.75 0.91 115.31 120.31 1ipd h LEU 292 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 1ipd h LEU 292 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ipd h LEU 292 CO 0.01 0.05 -0.99 0.28 0.09 0.00 0.00 178.44 177.88 1ipd h SER 293 N 0.00 0.38 -0.43 -0.43 0.02 -0.19 -1.18 113.55 111.71 1ipd h SER 293 Ca -0.00 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1ipd h SER 293 Cb 0.20 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1ipd h SER 293 CO 0.01 1.16 0.24 0.00 -1.14 0.00 0.00 176.83 177.10 1ipd h ALA 294 N 0.81 0.56 -0.73 3.77 0.00 0.13 -1.03 119.26 122.76 1ipd h ALA 294 Ca -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1ipd h ALA 294 Cb 1.65 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1ipd h ALA 294 CO 0.16 0.07 0.26 0.00 0.00 0.00 0.00 179.25 179.75 1ipd h ALA 295 N 1.09 1.09 -0.69 0.00 0.00 -1.09 -1.83 119.26 117.84 1ipd h ALA 295 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ipd h ALA 295 Cb 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1ipd h ALA 295 CO -0.03 0.63 0.44 0.52 0.00 0.00 0.00 179.25 180.82 1ipd h MET 296 N 1.06 0.91 -0.12 0.00 2.86 -0.39 -2.52 114.93 116.73 1ipd h MET 296 Ca 0.24 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1ipd h MET 296 Cb 0.24 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1ipd h MET 296 CO -0.02 0.62 0.07 1.98 1.06 0.00 0.00 176.91 180.62 1ipd h MET 297 N 0.94 0.17 -0.24 1.72 4.05 -0.40 0.65 114.93 121.81 1ipd h MET 297 Ca 0.25 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1ipd h MET 297 Cb -0.09 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1ipd h MET 297 CO -0.05 0.17 0.10 -0.07 0.23 0.00 0.00 176.91 177.29 1ipd h LEU 298 N 0.12 0.13 0.29 3.39 3.38 -0.99 0.89 115.31 122.51 1ipd h LEU 298 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ipd h LEU 298 Cb 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ipd h LEU 298 CO -0.01 0.11 -0.14 -0.08 0.09 0.00 0.00 178.44 178.41 1ipd h GLU 299 N 0.22 -0.37 -0.14 1.13 4.81 -1.44 0.79 114.58 119.58 1ipd h GLU 299 Ca 0.10 0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 1ipd h GLU 299 Cb 0.05 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1ipd h GLU 299 CO -0.09 -0.25 -0.65 0.45 -0.73 0.00 0.00 179.01 177.74 1ipd h HIS 300 N -0.52 0.68 0.02 0.92 3.86 -0.94 -1.07 115.15 118.10 1ipd h HIS 300 Ca -0.04 -0.27 -0.35 0.00 -1.16 0.00 0.00 60.37 58.55 1ipd h HIS 300 Cb 0.30 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 1ipd h HIS 300 CO 0.09 1.03 -2.11 0.00 0.86 0.00 0.00 177.93 177.80 1ipd n ALA 301 N -2.53 1.38 0.43 2.45 0.00 0.27 -4.54 120.51 117.98 1ipd n ALA 301 Ca -0.04 -0.98 0.05 0.00 0.00 0.00 0.00 53.44 52.47 1ipd n ALA 301 Cb 0.66 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 1ipd n ALA 301 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ipd n PHE 302 N -3.06 0.00 -1.04 0.00 3.72 -1.01 -4.97 117.46 111.10 1ipd n PHE 302 Ca -0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.09 1ipd n PHE 302 Cb 1.08 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.61 1ipd n PHE 302 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ipd n GLY 303 N 0.90 0.34 2.40 1.37 0.00 0.42 -4.89 105.19 105.73 1ipd n GLY 303 Ca 0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1ipd n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ipd n LEU 304 N -0.15 7.29 -0.09 0.99 4.32 0.25 -4.78 117.00 124.83 1ipd n LEU 304 Ca -0.01 -3.80 -0.07 0.00 -0.02 0.00 0.00 56.01 52.11 1ipd n LEU 304 Cb 0.30 -1.39 -0.00 0.00 -1.62 0.00 0.00 43.42 40.71 1ipd n LEU 304 CO 0.02 1.56 0.72 0.58 -1.22 0.00 0.00 177.39 179.05 1ipd h VAL 305 N 3.10 0.43 -0.65 4.08 2.07 -1.84 -1.89 116.25 121.55 1ipd h VAL 305 Ca 0.72 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.37 1ipd h VAL 305 Cb 0.29 0.43 -0.11 0.00 -1.52 0.00 0.00 31.29 30.38 1ipd h VAL 305 CO 1.60 0.00 -0.03 1.05 0.02 0.00 0.00 177.57 180.21 1ipd h GLU 306 N -0.16 0.08 0.11 1.57 9.09 -1.97 -1.03 114.58 122.27 1ipd h GLU 306 Ca 0.17 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.57 1ipd h GLU 306 Cb 0.42 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 1ipd h GLU 306 CO -0.43 0.06 -0.05 -0.07 0.05 0.00 0.00 179.01 178.57 1ipd h LEU 307 N 0.09 -0.12 -0.71 3.06 3.38 -1.83 -1.73 115.31 117.45 1ipd h LEU 307 Ca 0.34 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1ipd h LEU 307 Cb 0.55 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 1ipd h LEU 307 CO -0.58 0.32 0.08 0.00 0.09 0.00 0.00 178.44 178.34 1ipd h ALA 308 N 0.22 0.81 -0.18 1.53 0.00 -1.05 0.78 119.26 121.37 1ipd h ALA 308 Ca -0.01 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ipd h ALA 308 Cb 0.47 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ipd h ALA 308 CO 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 179.25 178.79 1ipd h ARG 309 N 0.17 0.27 0.16 0.00 2.47 -1.14 -0.04 114.38 116.27 1ipd h ARG 309 Ca 0.39 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.04 1ipd h ARG 309 Cb 0.67 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1ipd h ARG 309 CO -0.56 0.38 -0.08 -0.22 0.56 0.00 0.00 179.97 180.05 1ipd h LYS 310 N 0.26 -0.21 -0.49 0.04 3.64 0.14 -1.98 116.57 117.97 1ipd h LYS 310 Ca 0.06 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1ipd h LYS 310 Cb 0.34 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1ipd h LYS 310 CO 0.02 0.03 0.23 0.28 -2.27 0.00 0.00 179.45 177.74 1ipd h VAL 311 N -0.44 0.93 -0.85 2.00 2.07 -0.69 -1.94 116.25 117.33 1ipd h VAL 311 Ca -0.02 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1ipd h VAL 311 Cb 0.34 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1ipd h VAL 311 CO 0.04 0.08 0.55 -0.33 0.02 0.00 0.00 177.57 177.93 1ipd h GLU 312 N 0.45 0.93 -0.49 1.57 5.08 -0.85 -0.95 114.58 120.31 1ipd h GLU 312 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1ipd h GLU 312 Cb 0.15 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1ipd h GLU 312 CO -0.17 0.61 0.25 0.22 -1.00 0.00 0.00 179.01 178.92 1ipd h ASP 313 N 0.95 0.64 -0.21 1.42 1.82 -0.75 -1.00 116.42 119.29 1ipd h ASP 313 Ca 0.36 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 1ipd h ASP 313 Cb 0.20 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1ipd h ASP 313 CO -0.13 0.58 0.04 0.00 -1.61 0.00 0.00 179.24 178.12 1ipd h ALA 314 N 1.09 0.27 -0.31 -0.78 0.00 -0.61 -2.29 119.26 116.64 1ipd h ALA 314 Ca 0.17 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1ipd h ALA 314 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ipd h ALA 314 CO -0.02 -0.06 -0.23 -0.39 0.00 0.00 0.00 179.25 178.55 1ipd h VAL 315 N 0.14 1.27 0.04 0.00 -1.51 -1.06 0.32 116.25 115.45 1ipd h VAL 315 Ca 0.06 -1.28 0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1ipd h VAL 315 Cb 0.31 1.28 -0.04 0.00 -2.13 0.00 0.00 31.29 30.71 1ipd h VAL 315 CO 0.00 0.42 -0.25 0.00 -1.23 0.00 0.00 177.57 176.51 1ipd h ALA 316 N 1.22 -0.37 -0.39 5.19 0.00 -1.01 -0.04 119.26 123.87 1ipd h ALA 316 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ipd h ALA 316 Cb 0.68 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ipd h ALA 316 CO 0.05 -0.76 0.13 0.87 0.00 0.00 0.00 179.25 179.53 1ipd h LYS 317 N -0.41 0.60 -0.71 0.00 1.57 -1.11 -2.80 116.57 113.71 1ipd h LYS 317 Ca 0.05 -0.13 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1ipd h LYS 317 Cb 0.47 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 1ipd h LYS 317 CO -0.19 0.60 0.26 0.00 -0.57 0.00 0.00 179.45 179.55 1ipd h ALA 318 N 0.97 0.96 -0.48 3.86 0.00 0.11 -0.10 119.26 124.57 1ipd h ALA 318 Ca 0.12 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1ipd h ALA 318 Cb 0.25 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ipd h ALA 318 CO -0.00 -0.21 0.33 -0.07 0.00 0.00 0.00 179.25 179.29 1ipd h LEU 319 N 0.42 0.21 0.06 0.00 3.38 -0.74 0.90 115.31 119.54 1ipd h LEU 319 Ca 0.38 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.19 1ipd h LEU 319 Cb 0.55 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ipd h LEU 319 CO -0.38 0.13 -0.79 -0.07 0.09 0.00 0.00 178.44 177.42 1ipd h LEU 320 N 0.24 0.21 0.18 1.67 4.07 -1.02 -3.25 115.31 117.41 1ipd h LEU 320 Ca 0.22 -0.86 -0.30 0.00 0.08 0.00 0.00 57.88 57.02 1ipd h LEU 320 Cb 0.57 -0.07 0.02 0.00 1.08 0.00 0.00 40.66 42.26 1ipd h LEU 320 CO -0.04 1.34 -1.38 1.05 -1.08 0.00 0.00 178.44 178.33 1ipd h GLU 321 N -0.67 0.38 -2.04 1.13 4.11 -0.85 -3.39 114.58 113.24 1ipd h GLU 321 Ca -0.18 -0.64 -0.55 0.00 0.07 0.00 0.00 59.36 58.06 1ipd h GLU 321 Cb 1.40 0.24 -0.40 0.00 0.50 0.00 0.00 28.75 30.49 1ipd h GLU 321 CO 0.01 1.30 -1.03 0.25 0.07 0.00 0.00 179.01 179.61 1ipd n THR 322 N -3.60 0.04 -1.89 -1.06 -2.24 0.28 -5.11 114.28 100.71 1ipd n THR 322 Ca -0.13 -4.38 -0.41 0.00 -2.27 0.00 0.00 64.05 56.85 1ipd n THR 322 Cb 1.06 -1.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.69 1ipd n THR 322 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ipd s PRO 323 N -1.75 4.18 0.86 -0.78 0.04 -1.22 -4.61 135.00 131.72 1ipd s PRO 323 Ca 0.37 2.47 -0.12 0.00 0.04 0.00 0.00 61.00 63.77 1ipd s PRO 323 Cb 0.21 -3.02 0.11 0.00 0.04 0.00 0.00 34.50 31.84 1ipd s PRO 323 CO -0.09 -0.47 1.10 -1.25 0.04 0.00 0.00 177.00 176.33 1ipd s PRO 324 N -1.46 1.58 0.16 0.56 0.04 -1.26 -2.91 135.00 131.71 1ipd s PRO 324 Ca 0.55 0.60 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 1ipd s PRO 324 Cb -0.45 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.29 1ipd s PRO 324 CO 0.55 -1.97 1.62 -1.35 0.04 0.00 0.00 177.00 175.90 1ipd h PRO 325 N -1.34 -0.20 -0.62 0.56 0.11 -1.63 0.20 132.00 129.08 1ipd h PRO 325 Ca -0.49 0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.81 1ipd h PRO 325 Cb 1.29 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 1ipd h PRO 325 CO 0.59 -0.13 0.81 0.38 -0.21 0.00 0.00 178.00 179.43 1ipd h ASP 326 N -0.21 0.00 -0.65 -2.05 2.03 -1.90 1.50 116.42 115.14 1ipd h ASP 326 Ca 0.17 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.19 1ipd h ASP 326 Cb 0.47 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 38.81 1ipd h ASP 326 CO -0.46 0.00 0.25 0.18 -1.03 0.00 0.00 179.24 178.18 1ipd n LEU 327 N -3.36 5.44 -2.58 0.15 4.32 0.69 -4.94 117.00 116.74 1ipd n LEU 327 Ca 0.13 -3.50 -0.06 0.00 -0.02 0.00 0.00 56.01 52.56 1ipd n LEU 327 Cb 1.02 -0.72 0.01 0.00 -1.62 0.00 0.00 43.42 42.11 1ipd n LEU 327 CO 0.23 1.01 0.01 0.61 -1.22 0.00 0.00 177.39 178.03 1ipd n GLY 328 N -0.81 -1.41 3.94 -0.72 0.00 0.51 -4.86 105.19 101.84 1ipd n GLY 328 Ca 0.42 0.95 -0.01 0.00 0.00 0.00 0.00 46.02 47.38 1ipd n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipd n GLY 329 N -0.27 0.45 0.00 -0.02 0.00 -1.12 -4.89 105.19 99.33 1ipd n GLY 329 Ca 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ipd n GLY 329 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ipd n SER 330 N -1.23 0.08 -4.67 1.61 3.41 -1.14 -2.81 113.62 108.86 1ipd n SER 330 Ca 0.00 -0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 57.70 1ipd n SER 330 Cb 0.59 0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 65.32 1ipd n SER 330 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ipd s ALA 331 N -0.81 3.66 0.88 7.33 0.00 -1.20 -4.75 121.76 126.87 1ipd s ALA 331 Ca 0.00 1.35 -0.08 0.00 0.00 0.00 0.00 51.96 53.24 1ipd s ALA 331 Cb 0.00 -3.81 0.14 0.00 0.00 0.00 0.00 23.12 19.46 1ipd s ALA 331 CO 0.00 -1.42 0.88 0.41 0.00 0.00 0.00 175.76 175.63 1ipd n GLY 332 N 4.40 -0.68 0.29 0.00 0.00 -1.26 -3.89 105.19 104.04 1ipd n GLY 332 Ca 0.19 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1ipd n GLY 332 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ipd h THR 333 N -1.20 0.00 -0.70 2.61 2.02 -1.75 0.76 112.91 114.64 1ipd h THR 333 Ca -0.29 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1ipd h THR 333 Cb 0.87 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1ipd h THR 333 CO 0.23 0.00 0.43 -0.08 0.37 0.00 0.00 175.52 176.47 1ipd h GLU 334 N -0.22 0.80 -0.19 6.66 4.57 -1.95 -2.08 114.58 122.17 1ipd h GLU 334 Ca 0.05 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1ipd h GLU 334 Cb 0.36 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1ipd h GLU 334 CO -0.41 0.53 -0.06 0.00 -1.18 0.00 0.00 179.01 177.89 1ipd h ALA 335 N 1.32 0.12 -0.48 2.92 0.00 -1.79 -0.63 119.26 120.71 1ipd h ALA 335 Ca 0.29 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ipd h ALA 335 Cb 0.07 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ipd h ALA 335 CO -0.13 -0.48 0.29 0.35 0.00 0.00 0.00 179.25 179.27 1ipd h PHE 336 N -0.01 0.64 -0.12 0.00 3.57 -0.59 -2.56 116.94 117.87 1ipd h PHE 336 Ca 0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1ipd h PHE 336 Cb 0.16 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1ipd h PHE 336 CO -0.22 0.46 0.07 1.15 -2.23 0.00 0.00 178.31 177.54 1ipd h THR 337 N 0.65 1.05 -0.70 4.41 2.02 -1.13 -1.80 112.91 117.41 1ipd h THR 337 Ca 0.17 -0.12 0.15 0.00 0.77 0.00 0.00 66.41 67.38 1ipd h THR 337 Cb 0.01 0.92 -0.11 0.00 -1.74 0.00 0.00 68.15 67.23 1ipd h THR 337 CO -0.03 0.05 0.14 0.00 0.37 0.00 0.00 175.52 176.04 1ipd h ALA 338 N 1.02 0.85 0.00 6.16 0.00 -1.00 0.16 119.26 126.45 1ipd h ALA 338 Ca 0.04 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1ipd h ALA 338 Cb 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ipd h ALA 338 CO -0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 179.25 178.48 1ipd h THR 339 N 0.24 1.25 -0.14 0.00 1.03 -0.97 -1.68 112.91 112.63 1ipd h THR 339 Ca 0.38 -1.48 -0.03 0.00 -0.01 0.00 0.00 66.41 65.27 1ipd h THR 339 Cb 0.64 1.81 -0.00 0.00 -1.07 0.00 0.00 68.15 69.52 1ipd h THR 339 CO -0.50 0.42 -0.03 0.58 -0.01 0.00 0.00 175.52 175.98 1ipd h VAL 340 N 0.00 1.28 -0.81 0.00 2.07 -0.07 -2.62 116.25 116.09 1ipd h VAL 340 Ca -0.00 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.61 1ipd h VAL 340 Cb 0.78 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1ipd h VAL 340 CO 0.06 0.28 0.51 -0.07 0.02 0.00 0.00 177.57 178.36 1ipd h LEU 341 N -0.03 0.81 -0.42 2.57 3.38 -0.41 -1.06 115.31 120.16 1ipd h LEU 341 Ca 0.04 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1ipd h LEU 341 Cb 0.44 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1ipd h LEU 341 CO 0.01 0.53 0.12 -0.09 0.09 0.00 0.00 178.44 179.10 1ipd h ARG 342 N 0.94 0.26 -0.00 1.13 2.43 -1.21 0.55 114.38 118.49 1ipd h ARG 342 Ca 0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1ipd h ARG 342 Cb 0.12 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1ipd h ARG 342 CO -0.15 0.17 -0.01 0.72 -1.51 0.00 0.00 179.97 179.19 1ipd n HIS 343 N -5.05 0.00 -0.03 2.20 8.25 -0.82 -3.68 115.22 116.10 1ipd n HIS 343 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 1ipd n HIS 343 Cb 0.17 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 1ipd n HIS 343 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1ipd h LEU 344 N 0.07 0.00 0.00 2.41 5.85 0.12 -3.45 115.31 120.31 1ipd h LEU 344 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ipd h LEU 344 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1ipd h LEU 344 CO 0.00 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.42