#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihh s HIS 22 N 0.00 2.82 0.11 -1.55 5.65 -1.26 -4.93 115.29 116.13 3ihh s HIS 22 Ca 0.00 1.04 0.26 0.00 0.25 0.00 0.00 55.06 56.61 3ihh s HIS 22 Cb 0.00 -3.93 1.02 0.00 -1.18 0.00 0.00 32.58 28.48 3ihh s HIS 22 CO 0.00 -2.94 1.86 0.78 -0.65 0.00 0.00 174.74 173.79 3ihh h GLY 23 N 4.20 0.00 1.95 1.59 0.00 -1.96 -2.43 103.07 106.41 3ihh h GLY 23 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.86 3ihh h GLY 23 CO 0.73 0.00 0.02 -2.09 0.00 0.00 0.00 176.54 175.20 3ihh h GLU 24 N 0.00 0.00 -0.15 4.80 4.81 -1.95 -1.61 114.58 120.48 3ihh h GLU 24 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3ihh h GLU 24 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3ihh h GLU 24 CO 0.02 0.00 0.12 -0.07 -0.73 0.00 0.00 179.01 178.35 3ihh h LEU 25 N 0.00 0.00 -0.20 1.64 3.38 -1.82 -1.32 115.31 117.00 3ihh h LEU 25 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ihh h LEU 25 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ihh h LEU 25 CO -0.00 0.00 0.10 1.56 0.09 0.00 0.00 178.44 180.19 3ihh h GLN 26 N 0.00 0.28 0.13 1.13 4.20 -1.48 0.14 115.11 119.51 3ihh h GLN 26 Ca 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3ihh h GLN 26 Cb 0.31 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3ihh h GLN 26 CO -0.00 0.30 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.48 3ihh h TYR 27 N 0.19 -0.16 -0.96 2.96 5.03 -1.56 -1.96 116.97 120.52 3ihh h TYR 27 Ca 0.07 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.43 3ihh h TYR 27 Cb 0.11 0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.38 3ihh h TYR 27 CO -0.03 -0.07 0.62 -0.07 -1.32 0.00 0.00 178.16 177.29 3ihh h LEU 28 N -0.20 0.99 -0.89 2.82 3.38 -1.10 -1.53 115.31 118.78 3ihh h LEU 28 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3ihh h LEU 28 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ihh h LEU 28 CO 0.03 0.65 -0.16 0.03 0.09 0.00 0.00 178.44 179.07 3ihh h ARG 29 N 1.13 0.64 -0.44 1.13 3.08 -0.86 -1.04 114.38 118.03 3ihh h ARG 29 Ca 0.40 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3ihh h ARG 29 Cb 0.14 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ihh h ARG 29 CO -0.15 0.78 0.22 1.96 -1.07 0.00 0.00 179.97 181.71 3ihh h GLN 30 N 0.58 0.62 0.03 0.04 4.20 -0.52 0.83 115.11 120.88 3ihh h GLN 30 Ca 0.10 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3ihh h GLN 30 Cb 0.61 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3ihh h GLN 30 CO 0.04 0.51 -0.04 0.28 -0.67 0.00 0.00 178.83 178.96 3ihh h VAL 31 N 0.57 0.91 -0.73 -0.54 2.07 -1.11 -1.11 116.25 116.31 3ihh h VAL 31 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3ihh h VAL 31 Cb 0.09 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3ihh h VAL 31 CO -0.02 0.00 0.45 -0.08 0.02 0.00 0.00 177.57 177.94 3ihh h GLU 32 N -0.08 0.85 -0.60 1.57 4.22 -1.08 -0.52 114.58 118.93 3ihh h GLU 32 Ca 0.01 -0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.42 3ihh h GLU 32 Cb 0.08 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3ihh h GLU 32 CO -0.02 0.56 0.37 1.25 -2.18 0.00 0.00 179.01 178.99 3ihh h HIS 33 N 0.88 0.70 -0.61 0.92 2.76 -0.37 -0.88 115.15 118.54 3ihh h HIS 33 Ca 0.30 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.44 3ihh h HIS 33 Cb 0.05 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 3ihh h HIS 33 CO -0.04 0.40 0.20 0.82 -1.30 0.00 0.00 177.93 178.01 3ihh h ILE 34 N 0.73 1.24 -0.57 6.26 2.04 -0.68 0.41 117.51 126.95 3ihh h ILE 34 Ca 0.24 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3ihh h ILE 34 Cb 0.02 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3ihh h ILE 34 CO -0.10 0.31 0.29 -0.07 0.00 0.00 0.00 178.15 178.58 3ihh h LEU 35 N 0.86 0.70 0.13 1.44 3.38 -0.62 -0.22 115.31 120.98 3ihh h LEU 35 Ca 0.20 -0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 3ihh h LEU 35 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ihh h LEU 35 CO -0.01 0.59 -1.76 0.03 0.09 0.00 0.00 178.44 177.37 3ihh h ARG 36 N 0.79 0.27 0.00 1.13 2.47 -0.97 -3.42 114.38 114.65 3ihh h ARG 36 Ca 0.20 -0.46 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3ihh h ARG 36 Cb 0.05 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3ihh h ARG 36 CO -0.03 1.14 0.00 0.00 0.56 0.00 0.00 179.97 181.64 3ihh s GLY 38 N -0.75 1.67 -0.05 0.00 0.00 -0.10 -4.96 107.32 103.14 3ihh s GLY 38 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.88 3ihh s GLY 38 CO 0.00 0.53 0.07 -1.36 0.00 0.00 0.00 173.10 172.34 3ihh s PHE 39 N -2.96 3.32 0.09 1.90 0.40 -0.53 -4.66 117.98 115.54 3ihh s PHE 39 Ca 0.60 0.26 -0.33 0.00 -0.60 0.00 0.00 56.93 56.87 3ihh s PHE 39 Cb -0.16 -1.79 -0.12 0.00 0.51 0.00 0.00 43.02 41.46 3ihh s PHE 39 CO 0.56 0.57 1.78 1.17 0.70 0.00 0.00 175.22 179.99 3ihh n LYS 40 N 1.56 2.49 -3.87 0.44 3.00 -1.26 -1.23 118.16 119.28 3ihh n LYS 40 Ca -0.16 0.90 -0.20 0.00 -0.00 0.00 0.00 58.31 58.86 3ihh n LYS 40 Cb 0.53 -2.75 -0.17 0.00 0.00 0.00 0.00 35.03 32.64 3ihh n LYS 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3ihh s LYS 41 N 2.54 0.43 0.86 1.64 2.20 -0.14 -4.93 119.74 122.33 3ihh s LYS 41 Ca 0.83 0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 56.44 3ihh s LYS 41 Cb -0.58 -0.70 0.11 0.00 -1.51 0.00 0.00 37.83 35.14 3ihh s LYS 41 CO 0.41 -0.21 1.10 -1.21 -0.36 0.00 0.00 175.35 175.07 3ihh s GLU 42 N 1.48 1.58 0.19 4.03 0.41 -1.26 -1.57 118.70 123.56 3ihh s GLU 42 Ca -0.03 1.06 -0.09 0.00 -0.41 0.00 0.00 54.97 55.50 3ihh s GLU 42 Cb -0.13 -1.83 -0.01 0.00 -1.78 0.00 0.00 34.13 30.38 3ihh s GLU 42 CO -0.03 -2.09 0.32 0.16 -0.49 0.00 0.00 175.26 173.13 3ihh s ASP 43 N -3.28 0.01 0.33 -0.19 1.47 -1.26 -4.82 116.67 108.93 3ihh s ASP 43 Ca 0.63 -0.92 0.12 0.00 1.18 0.00 0.00 52.55 53.56 3ihh s ASP 43 Cb -0.18 0.47 1.00 0.00 -0.34 0.00 0.00 42.92 43.87 3ihh s ASP 43 CO 0.57 -0.95 1.68 -0.09 0.68 0.00 0.00 175.17 177.06 3ihh h ARG 44 N 2.47 0.39 0.00 2.11 2.43 -2.01 -1.65 114.38 118.12 3ihh h ARG 44 Ca -0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3ihh h ARG 44 Cb 1.24 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3ihh h ARG 44 CO 0.45 0.26 0.00 1.79 -1.51 0.00 0.00 179.97 180.96 3ihh h THR 45 N 0.40 0.00 0.00 0.20 1.35 -2.00 -3.47 112.91 109.39 3ihh h THR 45 Ca 0.70 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 3ihh h THR 45 Cb 1.50 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3ihh h THR 45 CO -0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.31 3ihh n GLY 46 N 0.73 1.49 0.17 5.82 0.00 -0.62 -4.91 105.19 107.87 3ihh n GLY 46 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3ihh n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ihh h THR 47 N 0.00 1.30 0.00 2.61 2.02 -1.92 -3.47 112.91 113.45 3ihh h THR 47 Ca 0.00 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.73 3ihh h THR 47 Cb 0.00 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3ihh h THR 47 CO 0.00 0.75 0.00 0.61 0.37 0.00 0.00 175.52 177.25 3ihh n GLY 48 N 1.29 -0.18 3.26 2.16 0.00 -1.26 -4.59 105.19 105.87 3ihh n GLY 48 Ca -0.12 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 3ihh n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ihh s THR 49 N -2.97 0.07 -0.11 2.61 -4.23 -0.61 -1.86 115.64 108.54 3ihh s THR 49 Ca 0.00 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.81 3ihh s THR 49 Cb 0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 3ihh s THR 49 CO 0.00 -0.34 0.10 -0.76 -0.54 0.00 0.00 174.62 173.08 3ihh s LEU 50 N -3.02 4.14 -0.04 4.79 1.43 -0.48 -0.97 118.68 124.54 3ihh s LEU 50 Ca 0.22 0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.65 3ihh s LEU 50 Cb 0.05 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3ihh s LEU 50 CO 0.02 0.39 0.10 -0.55 0.23 0.00 0.00 176.35 176.54 3ihh s SER 51 N -0.94 -0.08 -0.04 2.29 0.15 -0.37 -1.29 113.70 113.42 3ihh s SER 51 Ca 0.14 0.20 0.06 0.00 0.70 0.00 0.00 55.95 57.05 3ihh s SER 51 Cb -0.12 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 3ihh s SER 51 CO 0.03 -0.07 -0.23 -0.69 1.20 0.00 0.00 173.24 173.48 3ihh s VAL 52 N 0.42 1.87 -0.30 4.45 1.01 0.23 -1.45 120.40 126.63 3ihh s VAL 52 Ca -0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 3ihh s VAL 52 Cb -0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3ihh s VAL 52 CO -0.02 0.53 0.26 0.12 0.00 0.00 0.00 175.10 175.98 3ihh s PHE 53 N -0.33 3.23 0.00 5.22 5.36 -1.26 -1.14 117.98 129.05 3ihh s PHE 53 Ca 0.03 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 3ihh s PHE 53 Cb -0.11 -2.47 0.00 0.00 -0.34 0.00 0.00 43.02 40.10 3ihh s PHE 53 CO 0.01 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 3ihh n GLY 54 N 4.99 -0.02 3.19 13.12 0.00 0.15 -5.00 105.19 121.63 3ihh n GLY 54 Ca -0.12 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 3ihh n GLY 54 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ihh s MET 55 N -0.05 1.00 -0.21 1.61 -1.94 -0.88 -4.98 119.30 113.85 3ihh s MET 55 Ca 0.00 -1.41 -0.15 0.00 -1.71 0.00 0.00 55.69 52.42 3ihh s MET 55 Cb 0.00 0.27 0.06 0.00 2.01 0.00 0.00 34.83 37.17 3ihh s MET 55 CO 0.00 -0.30 0.54 -1.14 -0.01 0.00 0.00 175.02 174.11 3ihh s GLN 56 N -4.04 0.58 0.13 2.03 0.74 -1.26 -1.87 119.66 115.97 3ihh s GLN 56 Ca 0.24 0.89 0.07 0.00 0.05 0.00 0.00 55.36 56.61 3ihh s GLN 56 Cb 0.07 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 3ihh s GLN 56 CO 0.02 -0.12 -0.16 0.00 -0.55 0.00 0.00 175.29 174.49 3ihh s ALA 57 N 0.97 1.65 -0.12 1.58 0.00 -0.15 -4.98 121.76 120.71 3ihh s ALA 57 Ca -0.05 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3ihh s ALA 57 Cb -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.96 3ihh s ALA 57 CO -0.09 0.17 -0.17 0.50 0.00 0.00 0.00 175.76 176.17 3ihh s ARG 58 N -2.59 2.41 -0.27 0.00 3.52 -1.26 -0.88 118.95 119.88 3ihh s ARG 58 Ca 0.10 -0.63 -0.02 0.00 -0.13 0.00 0.00 55.73 55.05 3ihh s ARG 58 Cb -0.06 -2.02 0.03 0.00 -1.56 0.00 0.00 34.95 31.35 3ihh s ARG 58 CO 0.04 -0.05 -0.04 0.71 -0.81 0.00 0.00 175.30 175.15 3ihh s TYR 59 N 0.95 3.14 0.34 5.12 2.02 0.65 -4.96 117.35 124.62 3ihh s TYR 59 Ca -0.07 -1.68 -0.29 0.00 -0.37 0.00 0.00 57.07 54.67 3ihh s TYR 59 Cb -0.15 -2.07 -0.11 0.00 -0.40 0.00 0.00 41.96 39.23 3ihh s TYR 59 CO -0.02 -0.76 1.46 0.45 -1.57 0.00 0.00 175.55 175.12 3ihh s SER 60 N 1.30 6.46 0.00 2.29 0.15 -1.26 -1.39 113.70 121.25 3ihh s SER 60 Ca -0.02 2.93 0.14 0.00 0.70 0.00 0.00 55.95 59.71 3ihh s SER 60 Cb -0.18 -2.66 0.35 0.00 -1.71 0.00 0.00 66.02 61.83 3ihh s SER 60 CO -0.03 -0.80 1.27 0.18 1.20 0.00 0.00 173.24 175.06 3ihh n LEU 61 N 0.93 3.04 -4.59 3.45 4.77 -0.28 -4.74 117.00 119.58 3ihh n LEU 61 Ca 0.02 -1.82 -0.43 0.00 -0.03 0.00 0.00 56.01 53.75 3ihh n LEU 61 Cb 0.40 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3ihh n LEU 61 CO 0.62 0.73 1.01 -0.13 -1.33 0.00 0.00 177.39 178.29 3ihh s ARG 62 N -1.04 3.66 -0.60 3.23 0.52 -1.25 -3.76 118.95 119.71 3ihh s ARG 62 Ca 0.28 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 3ihh s ARG 62 Cb 0.15 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.69 3ihh s ARG 62 CO 0.20 -1.42 0.00 -0.25 0.02 0.00 0.00 175.30 173.85 3ihh n ASP 63 N 7.88 -5.84 -3.90 0.23 8.00 -1.26 -4.93 116.55 116.73 3ihh n ASP 63 Ca 0.11 0.14 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 3ihh n ASP 63 Cb 0.49 -3.85 -0.06 0.00 -0.02 0.00 0.00 41.12 37.67 3ihh n ASP 63 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3ihh s GLU 64 N -2.47 1.16 -0.08 -1.24 -1.05 -1.25 -4.84 118.70 108.93 3ihh s GLU 64 Ca 0.00 -1.08 0.01 0.00 -0.15 0.00 0.00 54.97 53.75 3ihh s GLU 64 Cb 0.00 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.11 3ihh s GLU 64 CO 0.00 -0.43 -0.08 0.12 0.95 0.00 0.00 175.26 175.81 3ihh s PHE 65 N -3.93 1.33 -1.48 4.83 5.36 -0.10 -4.45 117.98 119.54 3ihh s PHE 65 Ca 0.14 -0.56 -0.13 0.00 -0.96 0.00 0.00 56.93 55.42 3ihh s PHE 65 Cb 0.03 -1.07 -0.01 0.00 -0.34 0.00 0.00 43.02 41.62 3ihh s PHE 65 CO -0.02 -0.37 2.44 -0.35 -1.46 0.00 0.00 175.22 175.45 3ihh n PRO 66 N 4.42 3.04 -3.43 10.12 -0.04 -1.26 -3.90 135.00 143.95 3ihh n PRO 66 Ca -0.18 -2.43 -0.40 0.00 -0.04 0.00 0.00 63.50 60.46 3ihh n PRO 66 Cb 0.51 -3.11 -0.10 0.00 -0.04 0.00 0.00 33.50 30.76 3ihh n PRO 66 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ihh s LEU 67 N 1.52 4.22 0.37 1.53 2.96 -1.26 -4.38 118.68 123.64 3ihh s LEU 67 Ca 0.54 -0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 54.16 3ihh s LEU 67 Cb 0.15 -2.33 -0.12 0.00 0.50 0.00 0.00 46.19 44.40 3ihh s LEU 67 CO -0.07 -0.23 1.30 0.18 -1.32 0.00 0.00 176.35 176.21 3ihh n LEU 68 N 5.30 3.79 -0.01 -0.68 4.77 -1.26 -4.62 117.00 124.30 3ihh n LEU 68 Ca -0.10 1.18 0.11 0.00 -0.03 0.00 0.00 56.01 57.17 3ihh n LEU 68 Cb 0.50 -1.50 -0.16 0.00 -2.33 0.00 0.00 43.42 39.93 3ihh n LEU 68 CO 0.38 -0.46 -0.62 0.35 -1.33 0.00 0.00 177.39 175.71 3ihh n THR 69 N 0.21 0.00 1.14 -5.08 -2.24 -1.26 -4.28 114.28 102.78 3ihh n THR 69 Ca 0.05 -0.40 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3ihh n THR 69 Cb 0.37 0.19 0.44 0.00 -2.10 0.00 0.00 70.33 69.23 3ihh n THR 69 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ihh n THR 70 N -2.12 0.00 -3.64 4.28 -2.24 -1.26 -1.99 114.28 107.31 3ihh n THR 70 Ca -0.02 -0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 3ihh n THR 70 Cb 0.52 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 3ihh n THR 70 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ihh s LYS 71 N -2.79 0.74 0.14 -0.78 2.20 -1.26 -4.62 119.74 113.38 3ihh s LYS 71 Ca 0.18 1.06 -0.33 0.00 -0.36 0.00 0.00 55.97 56.52 3ihh s LYS 71 Cb 0.19 0.26 -0.13 0.00 -1.51 0.00 0.00 37.83 36.65 3ihh s LYS 71 CO 0.58 -0.12 1.70 -2.13 -0.36 0.00 0.00 175.35 175.02 3ihh n ARG 72 N 3.46 2.46 -4.07 4.03 0.63 -0.54 -4.60 116.66 118.01 3ihh n ARG 72 Ca -0.17 0.89 -0.31 0.00 -0.92 0.00 0.00 57.85 57.34 3ihh n ARG 72 Cb 0.57 -2.71 -0.07 0.00 0.45 0.00 0.00 32.46 30.70 3ihh n ARG 72 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ihh s VAL 73 N 1.67 4.62 -1.42 5.15 1.01 -1.26 -4.75 120.40 125.42 3ihh s VAL 73 Ca 0.80 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 3ihh s VAL 73 Cb -0.59 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 32.68 3ihh s VAL 73 CO 0.38 0.22 2.14 0.33 0.00 0.00 0.00 175.10 178.16 3ihh n PHE 74 N 0.75 3.40 -0.29 5.22 7.35 -1.26 -4.77 117.46 127.87 3ihh n PHE 74 Ca -0.10 -2.93 0.05 0.00 -0.76 0.00 0.00 57.45 53.70 3ihh n PHE 74 Cb 0.52 -2.41 0.19 0.00 0.35 0.00 0.00 39.48 38.13 3ihh n PHE 74 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 3ihh h TRP 75 N 5.95 0.82 -0.93 -5.13 2.91 -1.99 -1.25 115.95 116.33 3ihh h TRP 75 Ca 0.53 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.64 3ihh h TRP 75 Cb 0.64 -0.24 -0.07 0.00 -0.51 0.00 0.00 29.16 28.98 3ihh h TRP 75 CO 1.41 0.28 0.59 -0.22 -1.03 0.00 0.00 178.44 179.47 3ihh h LYS 76 N 0.72 1.03 -0.56 2.65 3.64 -2.00 -1.18 116.57 120.87 3ihh h LYS 76 Ca 0.42 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 3ihh h LYS 76 Cb 0.48 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3ihh h LYS 76 CO -0.29 0.68 -0.01 0.78 -2.27 0.00 0.00 179.45 178.34 3ihh h GLY 77 N 1.06 1.06 0.84 5.01 0.00 -1.64 -2.03 103.07 107.36 3ihh h GLY 77 Ca 0.41 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3ihh h GLY 77 CO -0.18 0.70 -0.06 -2.08 0.00 0.00 0.00 176.54 174.92 3ihh h VAL 78 N 0.90 0.97 -0.16 4.60 2.07 -0.81 -0.20 116.25 123.62 3ihh h VAL 78 Ca 0.16 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3ihh h VAL 78 Cb 0.53 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3ihh h VAL 78 CO 0.03 0.08 -0.02 0.25 0.02 0.00 0.00 177.57 177.93 3ihh h LEU 79 N -0.32 0.29 -0.49 2.57 5.85 -1.25 -1.91 115.31 120.05 3ihh h LEU 79 Ca -0.02 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.25 3ihh h LEU 79 Cb 0.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3ihh h LEU 79 CO 0.03 0.56 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.20 3ihh h GLU 80 N 0.02 0.97 -0.36 1.25 4.39 -1.36 -2.39 114.58 117.11 3ihh h GLU 80 Ca 0.04 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.37 3ihh h GLU 80 Cb 0.42 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3ihh h GLU 80 CO 0.01 1.06 0.21 1.49 -1.16 0.00 0.00 179.01 180.62 3ihh h GLU 81 N 0.82 0.42 -0.65 2.33 4.81 -1.01 -1.56 114.58 119.74 3ihh h GLU 81 Ca 0.12 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3ihh h GLU 81 Cb 0.73 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3ihh h GLU 81 CO 0.06 0.28 0.33 1.25 -0.73 0.00 0.00 179.01 180.19 3ihh h LEU 82 N 0.43 0.85 -1.16 1.64 5.85 -1.15 -0.40 115.31 121.38 3ihh h LEU 82 Ca 0.14 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3ihh h LEU 82 Cb -0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3ihh h LEU 82 CO -0.06 0.73 0.34 -0.07 -0.34 0.00 0.00 178.44 179.04 3ihh h LEU 83 N 0.90 0.83 -0.27 2.25 3.38 -1.24 0.22 115.31 121.39 3ihh h LEU 83 Ca 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3ihh h LEU 83 Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ihh h LEU 83 CO -0.03 0.69 0.12 -0.25 0.09 0.00 0.00 178.44 179.06 3ihh h TRP 84 N 0.93 0.41 -0.14 1.13 7.01 -0.84 -2.21 115.95 122.23 3ihh h TRP 84 Ca 0.23 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.26 3ihh h TRP 84 Cb 0.06 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 26.94 3ihh h TRP 84 CO 0.01 0.39 -0.21 0.74 -2.79 0.00 0.00 178.44 176.59 3ihh h PHE 85 N 0.30 -0.54 -0.92 2.65 0.04 -0.70 -2.37 116.94 115.41 3ihh h PHE 85 Ca 0.09 0.03 0.11 0.00 2.80 0.00 0.00 57.97 61.00 3ihh h PHE 85 Cb 0.15 0.26 -0.08 0.00 2.20 0.00 0.00 35.95 38.48 3ihh h PHE 85 CO -0.01 -0.28 0.55 0.82 -0.60 0.00 0.00 178.31 178.78 3ihh h ILE 86 N -0.25 0.89 -0.02 -0.55 2.04 -0.76 0.01 117.51 118.87 3ihh h ILE 86 Ca 0.10 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ihh h ILE 86 Cb 0.41 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3ihh h ILE 86 CO -0.29 0.16 0.00 2.29 0.00 0.00 0.00 178.15 180.31 3ihh n LYS 87 N -4.70 1.07 -1.01 2.37 2.85 -0.85 -4.87 118.16 113.02 3ihh n LYS 87 Ca 0.17 -0.10 -0.00 0.00 -1.05 0.00 0.00 58.31 57.32 3ihh n LYS 87 Cb 0.34 -1.24 -0.00 0.00 -0.65 0.00 0.00 35.03 33.47 3ihh n LYS 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ihh n GLY 88 N 0.76 0.46 3.77 2.58 0.00 -0.01 -5.00 105.19 107.75 3ihh n GLY 88 Ca 0.11 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3ihh n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ihh s SER 89 N -2.53 7.20 -0.14 1.61 0.15 -0.90 -4.14 113.70 114.94 3ihh s SER 89 Ca 0.00 2.12 0.16 0.00 0.70 0.00 0.00 55.95 58.92 3ihh s SER 89 Cb 0.00 -2.61 0.32 0.00 -1.71 0.00 0.00 66.02 62.02 3ihh s SER 89 CO 0.00 -0.18 1.16 0.35 1.20 0.00 0.00 173.24 175.78 3ihh n THR 90 N 0.85 1.82 -3.63 6.45 -2.24 -1.26 -4.17 114.28 112.11 3ihh n THR 90 Ca 0.01 -2.41 -0.40 0.00 -2.27 0.00 0.00 64.05 58.98 3ihh n THR 90 Cb 0.47 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 3ihh n THR 90 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ihh s ASN 91 N -2.86 5.59 0.50 3.42 3.84 -1.26 -1.40 114.94 122.77 3ihh s ASN 91 Ca 0.32 -1.47 0.27 0.00 0.21 0.00 0.00 52.86 52.19 3ihh s ASN 91 Cb 0.30 -1.97 1.34 0.00 -0.55 0.00 0.00 41.25 40.37 3ihh s ASN 91 CO -0.01 -0.51 1.88 0.00 -2.79 0.00 0.00 177.10 175.67 3ihh h ALA 92 N 8.37 2.61 0.00 1.71 0.00 -1.25 -1.76 119.26 128.95 3ihh h ALA 92 Ca -0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3ihh h ALA 92 Cb 1.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3ihh h ALA 92 CO 0.73 -0.88 -0.27 0.87 0.00 0.00 0.00 179.25 179.71 3ihh h LYS 93 N 0.14 0.00 0.00 0.00 1.79 -1.91 0.08 116.57 116.67 3ihh h LYS 93 Ca 0.44 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.83 3ihh h LYS 93 Cb 1.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.14 3ihh h LYS 93 CO -0.07 0.27 -0.37 1.49 -1.08 0.00 0.00 179.45 179.68 3ihh h GLU 94 N 0.00 0.00 0.13 3.15 4.22 -1.71 -1.85 114.58 118.51 3ihh h GLU 94 Ca -0.00 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.08 3ihh h GLU 94 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ihh h GLU 94 CO 0.03 0.37 -1.89 1.25 -2.18 0.00 0.00 179.01 176.60 3ihh h LEU 95 N 0.00 0.43 -1.61 1.64 5.85 -1.49 -3.37 115.31 116.76 3ihh h LEU 95 Ca -0.00 -0.86 0.07 0.00 0.84 0.00 0.00 57.88 57.93 3ihh h LEU 95 Cb 1.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3ihh h LEU 95 CO 0.05 1.76 0.37 -1.28 -0.34 0.00 0.00 178.44 179.00 3ihh h SER 96 N 0.08 0.42 0.58 1.25 0.87 -0.74 -0.91 113.55 115.10 3ihh h SER 96 Ca -0.38 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3ihh h SER 96 Cb 2.05 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.92 3ihh h SER 96 CO 0.12 0.27 -0.02 0.77 -0.53 0.00 0.00 176.83 177.43 3ihh h SER 97 N 0.47 0.00 -0.07 6.23 4.64 -1.50 -0.70 113.55 122.62 3ihh h SER 97 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3ihh h SER 97 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ihh h SER 97 CO -0.07 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.20 3ihh n LYS 98 N -3.16 1.27 -1.08 4.77 4.76 -0.35 -4.89 118.16 119.47 3ihh n LYS 98 Ca -0.01 -0.40 -0.03 0.00 -2.87 0.00 0.00 58.31 55.00 3ihh n LYS 98 Cb 0.22 -1.30 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 3ihh n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ihh n GLY 99 N 0.89 0.60 3.07 0.72 0.00 -0.27 -5.03 105.19 105.17 3ihh n GLY 99 Ca 0.14 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3ihh n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihh s VAL 100 N -2.09 2.72 -1.93 1.61 1.01 -1.18 -4.97 120.40 115.57 3ihh s VAL 100 Ca 0.00 -2.14 0.16 0.00 0.00 0.00 0.00 61.98 60.01 3ihh s VAL 100 Cb 0.00 -2.90 0.49 0.00 0.00 0.00 0.00 36.38 33.97 3ihh s VAL 100 CO 0.00 -0.58 1.40 0.54 0.00 0.00 0.00 175.10 176.46 3ihh n ARG 101 N 4.42 2.33 0.25 2.72 5.12 -1.26 -3.02 116.66 127.21 3ihh n ARG 101 Ca -0.00 -1.98 0.10 0.00 -1.93 0.00 0.00 57.85 54.04 3ihh n ARG 101 Cb 0.42 -1.45 0.64 0.00 -1.16 0.00 0.00 32.46 30.91 3ihh n ARG 101 CO 0.00 0.00 0.00 -0.84 -1.93 0.00 0.00 177.63 174.86 3ihh h ILE 102 N 3.17 0.76 -0.42 0.55 3.07 -1.95 -0.25 117.51 122.44 3ihh h ILE 102 Ca 0.00 -0.62 0.00 0.00 1.55 0.00 0.00 64.86 65.79 3ihh h ILE 102 Cb 0.77 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3ihh h ILE 102 CO 0.02 0.15 0.00 0.79 -1.05 0.00 0.00 178.15 178.06 3ihh n TRP 103 N -3.84 0.55 -0.02 0.16 7.02 -1.26 -4.74 117.44 115.30 3ihh n TRP 103 Ca -0.02 -0.27 -0.12 0.00 -1.02 0.00 0.00 57.50 56.06 3ihh n TRP 103 Cb 0.26 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.07 3ihh n TRP 103 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3ihh h ASP 104 N 4.48 0.10 -0.65 -0.99 3.32 -1.36 -2.84 116.42 118.48 3ihh h ASP 104 Ca 0.00 -0.34 0.06 0.00 0.02 0.00 0.00 57.03 56.77 3ihh h ASP 104 Cb 0.99 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 3ihh h ASP 104 CO 0.00 0.42 0.43 0.00 -1.72 0.00 0.00 179.24 178.37 3ihh h ALA 105 N 0.68 1.77 0.00 3.45 0.00 -1.85 -1.38 119.26 121.94 3ihh h ALA 105 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ihh h ALA 105 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ihh h ALA 105 CO 0.00 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.47 3ihh n ASN 106 N -4.48 0.21 -0.62 0.00 5.03 -1.09 -2.83 115.26 111.48 3ihh n ASN 106 Ca 0.09 0.53 0.06 0.00 0.87 0.00 0.00 54.58 56.13 3ihh n ASN 106 Cb 0.23 -0.58 0.12 0.00 -1.02 0.00 0.00 39.78 38.53 3ihh n ASN 106 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ihh n GLY 107 N 1.04 1.51 3.79 7.41 0.00 -0.56 -4.63 105.19 113.74 3ihh n GLY 107 Ca 0.06 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3ihh n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ihh s SER 108 N -1.01 5.63 0.19 1.61 1.04 -0.98 0.14 113.70 120.32 3ihh s SER 108 Ca 0.21 1.95 -0.19 0.00 0.48 0.00 0.00 55.95 58.40 3ihh s SER 108 Cb 0.12 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.85 3ihh s SER 108 CO 0.17 -1.27 1.59 -0.09 0.98 0.00 0.00 173.24 174.62 3ihh h ARG 109 N 0.59 -0.12 -0.29 4.02 9.65 -1.92 0.29 114.38 126.59 3ihh h ARG 109 Ca -0.48 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.39 3ihh h ARG 109 Cb 1.24 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 3ihh h ARG 109 CO 0.56 -0.08 0.10 -0.44 2.80 0.00 0.00 179.97 182.91 3ihh h ASP 110 N -0.13 0.42 -0.12 -3.80 3.45 -1.93 -0.38 116.42 113.93 3ihh h ASP 110 Ca 0.26 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3ihh h ASP 110 Cb 0.54 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 3ihh h ASP 110 CO -0.69 0.50 0.08 0.15 -1.57 0.00 0.00 179.24 177.71 3ihh h PHE 111 N 0.32 0.16 -0.69 4.55 3.57 -1.72 -1.53 116.94 121.60 3ihh h PHE 111 Ca 0.10 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3ihh h PHE 111 Cb 0.23 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3ihh h PHE 111 CO 0.00 0.12 0.43 -0.07 -2.23 0.00 0.00 178.31 176.56 3ihh h LEU 112 N 0.15 0.70 -0.77 0.59 3.38 -0.78 -2.16 115.31 116.42 3ihh h LEU 112 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ihh h LEU 112 Cb 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ihh h LEU 112 CO -0.01 0.48 0.42 0.44 0.09 0.00 0.00 178.44 179.87 3ihh h ASP 113 N 0.84 0.97 -0.88 -0.43 3.32 -1.00 0.43 116.42 119.67 3ihh h ASP 113 Ca 0.28 -0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.34 3ihh h ASP 113 Cb 0.03 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.26 3ihh h ASP 113 CO -0.11 0.79 0.57 0.77 -1.72 0.00 0.00 179.24 179.53 3ihh h SER 114 N 1.07 0.74 0.26 6.45 4.64 -0.62 -1.50 113.55 124.58 3ihh h SER 114 Ca 0.27 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3ihh h SER 114 Cb 0.04 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3ihh h SER 114 CO -0.04 0.42 -0.01 0.18 -0.87 0.00 0.00 176.83 176.51 3ihh n LEU 115 N -4.54 0.12 0.00 5.97 4.77 -0.87 -4.88 117.00 117.58 3ihh n LEU 115 Ca 0.16 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3ihh n LEU 115 Cb 0.35 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3ihh n LEU 115 CO 0.31 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3ihh n GLY 116 N 1.15 0.82 2.76 -0.72 0.00 -0.56 -5.00 105.19 103.63 3ihh n GLY 116 Ca 0.19 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3ihh n GLY 116 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ihh n PHE 117 N -2.32 3.13 0.32 1.61 3.72 0.09 -4.79 117.46 119.21 3ihh n PHE 117 Ca 0.00 -2.59 0.16 0.00 -0.05 0.00 0.00 57.45 54.97 3ihh n PHE 117 Cb 0.00 -0.83 0.66 0.00 -0.94 0.00 0.00 39.48 38.37 3ihh n PHE 117 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ihh h SER 118 N 2.84 0.00 0.92 4.37 4.64 -1.83 -2.26 113.55 122.23 3ihh h SER 118 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3ihh h SER 118 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3ihh h SER 118 CO 1.25 0.00 -0.66 0.00 -0.87 0.00 0.00 176.83 176.54 3ihh h ALA 119 N 2.09 0.58 -2.85 5.18 0.00 -1.95 -3.48 119.26 118.83 3ihh h ALA 119 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3ihh h ALA 119 Cb 0.41 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.26 3ihh h ALA 119 CO 0.00 0.00 0.59 1.03 0.00 0.00 0.00 179.25 180.87 3ihh s ARG 120 N -3.20 4.35 0.34 0.00 0.52 -0.85 -5.00 118.95 115.10 3ihh s ARG 120 Ca 0.05 2.10 -0.28 0.00 -0.52 0.00 0.00 55.73 57.08 3ihh s ARG 120 Cb 0.12 -3.03 -0.10 0.00 0.52 0.00 0.00 34.95 32.47 3ihh s ARG 120 CO 0.73 -0.15 1.27 -1.14 0.02 0.00 0.00 175.30 176.03 3ihh s GLN 121 N -1.82 4.34 0.20 3.54 0.74 -1.26 -4.93 119.66 120.48 3ihh s GLN 121 Ca 0.49 2.13 -0.32 0.00 0.05 0.00 0.00 55.36 57.71 3ihh s GLN 121 Cb -0.37 -3.03 -0.13 0.00 1.10 0.00 0.00 33.01 30.57 3ihh s GLN 121 CO 0.49 -0.17 1.57 -1.91 -0.55 0.00 0.00 175.29 174.72 3ihh n GLU 122 N 0.74 2.32 0.00 1.67 2.13 -1.26 -1.64 120.64 124.60 3ihh n GLU 122 Ca 0.00 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.66 3ihh n GLU 122 Cb 0.43 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.54 3ihh n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ihh n GLY 123 N 3.09 1.31 3.52 8.31 0.00 0.12 -4.91 105.19 116.64 3ihh n GLY 123 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3ihh n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihh s ASP 124 N -1.74 6.18 0.00 1.61 -1.08 -0.65 -0.71 116.67 120.28 3ihh s ASP 124 Ca 0.00 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 51.73 3ihh s ASP 124 Cb 0.00 -2.52 1.29 0.00 -1.46 0.00 0.00 42.92 40.23 3ihh s ASP 124 CO 0.00 -1.70 1.93 0.18 0.52 0.00 0.00 175.17 176.09 3ihh n LEU 125 N 8.84 0.00 0.00 -1.34 4.77 -0.49 -4.90 117.00 123.87 3ihh n LEU 125 Ca 0.01 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3ihh n LEU 125 Cb 0.48 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ihh n LEU 125 CO 0.69 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3ihh n GLY 126 N 1.25 -2.09 2.40 -0.72 0.00 -1.26 -0.83 105.19 103.95 3ihh n GLY 126 Ca 0.10 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 3ihh n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ihh n PRO 127 N 0.00 3.94 -0.01 1.61 -0.04 -1.26 -4.83 135.00 134.42 3ihh n PRO 127 Ca 0.00 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 3ihh n PRO 127 Cb 0.00 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 3ihh n PRO 127 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3ihh n VAL 128 N 3.07 0.00 -0.29 0.52 0.24 -1.26 -4.41 118.33 116.19 3ihh n VAL 128 Ca 0.71 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.94 3ihh n VAL 128 Cb 0.25 -1.99 -0.03 0.00 -1.47 0.00 0.00 33.84 30.60 3ihh n VAL 128 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3ihh h TYR 129 N -0.41 -1.37 -0.82 6.34 -1.99 -1.91 -0.73 116.97 116.08 3ihh h TYR 129 Ca 0.00 0.10 0.15 0.00 2.00 0.00 0.00 58.73 60.98 3ihh h TYR 129 Cb 0.00 0.70 -0.10 0.00 2.00 0.00 0.00 36.73 39.34 3ihh h TYR 129 CO 0.00 -0.41 0.40 0.78 -0.00 0.00 0.00 178.16 178.93 3ihh h GLY 130 N -0.13 1.32 0.86 3.88 0.00 -1.77 0.90 103.07 108.14 3ihh h GLY 130 Ca 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3ihh h GLY 130 CO -0.82 -0.07 -0.26 -2.75 0.00 0.00 0.00 176.54 172.65 3ihh h PHE 131 N 0.56 0.65 -0.53 5.60 3.57 -1.31 -2.77 116.94 122.71 3ihh h PHE 131 Ca 0.46 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3ihh h PHE 131 Cb 0.67 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3ihh h PHE 131 CO -0.11 0.91 0.06 1.96 -2.23 0.00 0.00 178.31 178.89 3ihh h GLN 132 N 0.21 0.85 -0.15 1.11 1.08 -0.66 0.88 115.11 118.43 3ihh h GLN 132 Ca 0.03 -0.21 -0.15 0.00 -1.45 0.00 0.00 58.65 56.86 3ihh h GLN 132 Cb 0.82 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 3ihh h GLN 132 CO 0.06 0.81 -0.55 -1.49 -0.95 0.00 0.00 178.83 176.71 3ihh h TRP 133 N 0.80 0.56 0.00 2.96 4.06 -0.84 -3.02 115.95 120.46 3ihh h TRP 133 Ca 0.16 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.91 3ihh h TRP 133 Cb 0.40 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 3ihh h TRP 133 CO 0.02 0.90 -1.57 0.54 -3.56 0.00 0.00 178.44 174.77 3ihh n ARG 134 N -3.94 0.73 -1.59 0.49 5.12 -1.05 -0.87 116.66 115.55 3ihh n ARG 134 Ca -0.03 -0.12 0.02 0.00 -1.93 0.00 0.00 57.85 55.79 3ihh n ARG 134 Cb 0.60 -1.39 0.01 0.00 -1.16 0.00 0.00 32.46 30.52 3ihh n ARG 134 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3ihh n HIS 135 N -1.94 0.09 -1.69 -1.55 8.25 0.30 -3.20 115.22 115.48 3ihh n HIS 135 Ca -0.02 -0.68 -0.52 0.00 -0.26 0.00 0.00 57.72 56.24 3ihh n HIS 135 Cb 0.41 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 3ihh n HIS 135 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ihh n PHE 136 N 0.30 2.19 0.00 4.41 -0.00 -0.75 -1.71 117.46 121.91 3ihh n PHE 136 Ca 0.02 0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 3ihh n PHE 136 Cb 1.06 -2.56 0.00 0.00 -0.00 0.00 0.00 39.48 37.97 3ihh n PHE 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ihh n GLY 137 N 4.20 2.21 3.67 7.13 0.00 -1.26 -0.51 105.19 120.63 3ihh n GLY 137 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3ihh n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihh n ALA 138 N -1.95 -0.07 -2.63 4.61 0.00 -0.69 -4.83 120.51 114.95 3ihh n ALA 138 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 3ihh n ALA 138 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 3ihh n ALA 138 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ihh s GLU 139 N -3.93 4.04 0.17 0.00 2.12 -1.26 -5.01 118.70 114.82 3ihh s GLU 139 Ca 0.73 0.91 -0.30 0.00 0.36 0.00 0.00 54.97 56.68 3ihh s GLU 139 Cb -0.30 -3.73 -0.07 0.00 0.26 0.00 0.00 34.13 30.28 3ihh s GLU 139 CO 0.51 -0.81 1.11 -0.47 -0.54 0.00 0.00 175.26 175.05 3ihh s TYR 140 N 3.38 3.58 0.00 5.30 5.04 -1.26 -4.95 117.35 128.44 3ihh s TYR 140 Ca 0.41 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 3ihh s TYR 140 Cb -0.13 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.90 3ihh s TYR 140 CO 0.14 -0.65 0.00 1.63 -1.34 0.00 0.00 175.55 175.33 3ihh n LYS 141 N 2.51 0.00 -3.88 4.97 5.02 -1.26 -5.10 118.16 120.42 3ihh n LYS 141 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 3ihh n LYS 141 Cb 0.46 -0.06 -0.03 0.00 -0.02 0.00 0.00 35.03 35.38 3ihh n LYS 141 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3ihh n ASP 142 N -1.84 -1.30 0.19 4.39 5.68 -1.26 -5.04 116.55 117.37 3ihh n ASP 142 Ca 0.00 -2.82 0.14 0.00 -0.50 0.00 0.00 54.79 51.61 3ihh n ASP 142 Cb 0.00 2.43 0.56 0.00 -1.14 0.00 0.00 41.12 42.97 3ihh n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ihh h MET 143 N 0.00 0.00 -0.01 0.11 -0.00 -1.95 -2.66 114.93 110.42 3ihh h MET 143 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.44 3ihh h MET 143 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.74 3ihh h MET 143 CO 0.35 0.00 -0.38 -0.25 -0.00 0.00 0.00 176.91 176.63 3ihh n ASP 144 N -2.57 0.99 -4.77 -0.10 8.00 -1.26 -4.78 116.55 112.07 3ihh n ASP 144 Ca 0.02 -0.80 -0.34 0.00 0.71 0.00 0.00 54.79 54.37 3ihh n ASP 144 Cb 0.27 0.25 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 3ihh n ASP 144 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3ihh s SER 145 N -2.65 5.58 -0.42 -2.24 0.01 -1.01 -5.00 113.70 107.97 3ihh s SER 145 Ca 0.19 2.12 -0.23 0.00 1.31 0.00 0.00 55.95 59.35 3ihh s SER 145 Cb 0.18 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.86 3ihh s SER 145 CO 0.59 -1.31 0.76 -0.62 0.41 0.00 0.00 173.24 173.07 3ihh s ASP 146 N -1.99 6.44 -0.10 2.44 -1.08 -1.26 -4.89 116.67 116.22 3ihh s ASP 146 Ca 0.71 -0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.91 3ihh s ASP 146 Cb -0.23 -2.38 0.64 0.00 -1.46 0.00 0.00 42.92 39.49 3ihh s ASP 146 CO 0.31 -0.84 1.55 -1.22 0.52 0.00 0.00 175.17 175.48 3ihh n TYR 147 N 6.57 1.25 -1.71 -5.34 4.01 -1.26 -4.98 117.16 115.70 3ihh n TYR 147 Ca 0.02 -0.62 -0.58 0.00 -0.16 0.00 0.00 57.90 56.56 3ihh n TYR 147 Cb 0.48 -0.21 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3ihh n TYR 147 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3ihh n SER 148 N 0.89 2.33 0.00 7.72 7.64 -1.26 -1.01 113.62 129.93 3ihh n SER 148 Ca 0.23 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.19 3ihh n SER 148 Cb 0.81 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3ihh n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ihh n GLY 149 N 4.19 0.41 3.86 0.23 0.00 -1.26 -5.01 105.19 107.61 3ihh n GLY 149 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 3ihh n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ihh s GLN 150 N -0.64 3.80 1.13 1.61 -0.21 -0.18 -4.99 119.66 120.18 3ihh s GLN 150 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.63 3ihh s GLN 150 Cb 0.00 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.94 3ihh s GLN 150 CO 0.00 0.61 0.00 0.41 -2.12 0.00 0.00 175.29 174.19 3ihh n GLY 151 N 1.22 -1.70 3.65 3.09 0.00 -1.26 -4.49 105.19 105.70 3ihh n GLY 151 Ca -0.10 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 3ihh n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihh s VAL 152 N -0.40 5.29 -0.95 1.61 1.01 0.33 -4.74 120.40 122.55 3ihh s VAL 152 Ca 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 3ihh s VAL 152 Cb 0.00 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.88 3ihh s VAL 152 CO 0.00 0.29 1.26 -0.62 0.00 0.00 0.00 175.10 176.03 3ihh s ASP 153 N 1.18 6.53 0.23 3.32 -1.08 -1.19 -1.80 116.67 123.86 3ihh s ASP 153 Ca 0.11 -1.68 0.01 0.00 -0.52 0.00 0.00 52.55 50.48 3ihh s ASP 153 Cb -0.14 -2.48 0.25 0.00 -1.46 0.00 0.00 42.92 39.09 3ihh s ASP 153 CO 0.07 -1.30 1.59 1.56 0.52 0.00 0.00 175.17 177.61 3ihh h GLN 154 N 9.32 0.41 -0.13 4.34 4.20 -1.25 -2.25 115.11 129.76 3ihh h GLN 154 Ca 0.14 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3ihh h GLN 154 Cb 1.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3ihh h GLN 154 CO 1.25 0.81 0.02 1.25 -0.67 0.00 0.00 178.83 181.50 3ihh h LEU 155 N 0.33 0.21 -0.82 1.46 5.85 -1.82 0.22 115.31 120.73 3ihh h LEU 155 Ca 0.02 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 3ihh h LEU 155 Cb 0.98 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3ihh h LEU 155 CO 0.08 0.41 0.02 -0.61 -0.34 0.00 0.00 178.44 178.00 3ihh h GLN 156 N -0.00 0.90 -0.62 1.25 5.75 -1.85 -2.62 115.11 117.92 3ihh h GLN 156 Ca 0.04 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 3ihh h GLN 156 Cb 0.29 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3ihh h GLN 156 CO 0.00 0.88 0.20 -0.22 -2.65 0.00 0.00 178.83 177.05 3ihh h LYS 157 N 0.83 0.93 -0.12 1.69 3.64 -0.93 0.21 116.57 122.83 3ihh h LYS 157 Ca 0.16 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3ihh h LYS 157 Cb 0.47 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3ihh h LYS 157 CO 0.02 0.79 -0.06 0.28 -2.27 0.00 0.00 179.45 178.21 3ihh h VAL 158 N 0.90 0.80 -0.24 2.00 2.07 -0.34 -1.28 116.25 120.15 3ihh h VAL 158 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.74 3ihh h VAL 158 Cb 0.25 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3ihh h VAL 158 CO -0.01 0.00 0.13 0.40 0.02 0.00 0.00 177.57 178.11 3ihh h ILE 159 N -0.06 1.01 -0.72 4.57 2.04 -1.01 -0.30 117.51 123.04 3ihh h ILE 159 Ca 0.07 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3ihh h ILE 159 Cb 0.16 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3ihh h ILE 159 CO -0.15 0.05 0.44 0.44 0.00 0.00 0.00 178.15 178.93 3ihh h ASP 160 N 0.28 0.86 -0.74 1.72 3.32 -0.86 -2.52 116.42 118.48 3ihh h ASP 160 Ca 0.10 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3ihh h ASP 160 Cb 0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3ihh h ASP 160 CO -0.05 0.67 0.29 0.74 -1.72 0.00 0.00 179.24 179.16 3ihh h THR 161 N 0.98 1.25 -0.93 0.35 2.02 -0.58 -1.02 112.91 114.99 3ihh h THR 161 Ca 0.26 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.64 3ihh h THR 161 Cb -0.04 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 3ihh h THR 161 CO -0.05 0.33 0.62 0.40 0.37 0.00 0.00 175.52 177.18 3ihh h ILE 162 N 1.07 1.21 -0.12 3.11 2.04 -0.75 0.26 117.51 124.34 3ihh h ILE 162 Ca 0.25 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3ihh h ILE 162 Cb 0.23 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3ihh h ILE 162 CO -0.02 0.23 -0.28 0.11 0.00 0.00 0.00 178.15 178.19 3ihh h LYS 163 N 1.24 0.40 0.00 2.37 1.57 -1.18 -3.22 116.57 117.75 3ihh h LYS 163 Ca 0.35 -0.27 -0.25 0.00 -1.87 0.00 0.00 60.65 58.61 3ihh h LYS 163 Cb -0.10 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3ihh h LYS 163 CO -0.09 0.88 -1.82 0.25 -0.57 0.00 0.00 179.45 178.11 3ihh n THR 164 N -4.43 1.27 -2.89 -0.16 -2.24 -0.41 -4.71 114.28 100.71 3ihh n THR 164 Ca -0.07 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 3ihh n THR 164 Cb 0.46 -0.69 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 3ihh n THR 164 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ihh n ASN 165 N -2.84 -2.07 0.30 3.42 5.15 0.90 -5.00 115.26 115.11 3ihh n ASN 165 Ca -0.18 -3.08 0.18 0.00 -0.60 0.00 0.00 54.58 50.90 3ihh n ASN 165 Cb 0.97 1.10 1.00 0.00 -0.53 0.00 0.00 39.78 42.32 3ihh n ASN 165 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3ihh h PRO 166 N 4.14 0.00 0.00 1.20 0.13 -1.55 -2.04 132.00 133.88 3ihh h PRO 166 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3ihh h PRO 166 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3ihh h PRO 166 CO 0.34 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.86 3ihh n ASP 167 N -3.56 0.00 -4.74 1.44 8.00 -1.26 -3.79 116.55 112.65 3ihh n ASP 167 Ca -0.02 0.39 -0.42 0.00 0.71 0.00 0.00 54.79 55.45 3ihh n ASP 167 Cb 0.13 -0.46 -0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3ihh n ASP 167 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ihh n ASP 168 N -1.46 3.30 -1.17 -2.24 2.03 -0.77 -4.91 116.55 111.33 3ihh n ASP 168 Ca 0.06 1.21 0.08 0.00 0.52 0.00 0.00 54.79 56.67 3ihh n ASP 168 Cb 0.24 -1.55 0.28 0.00 -0.72 0.00 0.00 41.12 39.37 3ihh n ASP 168 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ihh n ARG 169 N 0.60 3.38 -0.60 -0.67 1.74 -1.26 -4.30 116.66 115.55 3ihh n ARG 169 Ca 0.03 -2.70 0.06 0.00 -0.77 0.00 0.00 57.85 54.47 3ihh n ARG 169 Cb 0.37 -1.76 0.13 0.00 -1.02 0.00 0.00 32.46 30.18 3ihh n ARG 169 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ihh n ARG 170 N 0.44 1.01 -2.64 5.56 3.00 -1.26 -4.99 116.66 117.78 3ihh n ARG 170 Ca 0.21 -2.57 -0.42 0.00 -0.01 0.00 0.00 57.85 55.06 3ihh n ARG 170 Cb 0.81 -1.15 -0.02 0.00 0.00 0.00 0.00 32.46 32.10 3ihh n ARG 170 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3ihh s ILE 171 N -2.14 4.19 0.03 0.55 1.01 -1.26 -4.93 121.20 118.64 3ihh s ILE 171 Ca 0.31 -1.47 0.05 0.00 0.00 0.00 0.00 60.65 59.54 3ihh s ILE 171 Cb 0.30 -5.07 -0.02 0.00 0.01 0.00 0.00 42.46 37.68 3ihh s ILE 171 CO -0.05 -1.90 -0.16 -0.63 0.00 0.00 0.00 174.94 172.20 3ihh s ILE 172 N 4.13 1.26 -0.11 2.92 1.01 -1.26 -1.04 121.20 128.10 3ihh s ILE 172 Ca 0.47 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3ihh s ILE 172 Cb 0.01 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.39 3ihh s ILE 172 CO -0.02 0.14 -0.15 -0.32 0.00 0.00 0.00 174.94 174.59 3ihh s MET 173 N -0.95 2.19 -0.13 2.79 -2.45 -0.07 -4.87 119.30 115.82 3ihh s MET 173 Ca 0.04 -0.54 0.02 0.00 -1.25 0.00 0.00 55.69 53.96 3ihh s MET 173 Cb -0.08 -1.90 0.01 0.00 1.25 0.00 0.00 34.83 34.12 3ihh s MET 173 CO 0.01 -0.10 -0.20 0.00 1.05 0.00 0.00 175.02 175.78 3ihh n ALA 175 N 4.13 4.05 -2.56 0.00 0.00 -0.16 -4.73 120.51 121.24 3ihh n ALA 175 Ca -0.20 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 3ihh n ALA 175 Cb 0.51 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 3ihh n ALA 175 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ihh s TRP 176 N -3.15 2.54 -0.49 0.00 -0.11 -0.97 -4.86 118.94 111.90 3ihh s TRP 176 Ca 0.04 0.39 0.04 0.00 1.22 0.00 0.00 56.10 57.78 3ihh s TRP 176 Cb 0.15 -4.51 0.13 0.00 -1.50 0.00 0.00 33.47 27.74 3ihh s TRP 176 CO 0.86 -1.67 0.24 1.21 -4.62 0.00 0.00 176.95 172.97 3ihh s ASN 177 N 3.19 4.24 0.39 5.86 3.84 -1.26 -4.99 114.94 126.21 3ihh s ASN 177 Ca 0.44 -2.88 0.17 0.00 0.21 0.00 0.00 52.86 50.79 3ihh s ASN 177 Cb -0.08 -1.54 1.07 0.00 -0.55 0.00 0.00 41.25 40.15 3ihh s ASN 177 CO 0.25 -0.25 1.78 -0.65 -2.79 0.00 0.00 177.10 175.44 3ihh h PRO 178 N 6.62 0.42 -0.26 0.43 0.11 -2.00 -0.20 132.00 137.11 3ihh h PRO 178 Ca -0.07 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 3ihh h PRO 178 Cb 0.91 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3ihh h PRO 178 CO 0.64 0.28 -0.19 -0.22 -0.21 0.00 0.00 178.00 178.30 3ihh h LYS 179 N 0.43 0.47 0.00 1.05 3.64 -2.02 -3.11 116.57 117.03 3ihh h LYS 179 Ca 0.58 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3ihh h LYS 179 Cb 1.40 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3ihh h LYS 179 CO -0.29 0.65 -0.72 -0.25 -2.27 0.00 0.00 179.45 176.57 3ihh n ASP 180 N -4.16 0.62 -0.31 4.20 8.00 -0.15 -4.43 116.55 120.31 3ihh n ASP 180 Ca 0.00 -0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 3ihh n ASP 180 Cb 0.36 0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.89 3ihh n ASP 180 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ihh h LEU 181 N 0.00 -1.39 -2.75 0.64 4.07 -1.30 0.22 115.31 114.80 3ihh h LEU 181 Ca 0.00 0.28 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 3ihh h LEU 181 Cb 0.65 0.70 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 3ihh h LEU 181 CO 0.00 -0.30 -0.00 -0.65 -1.08 0.00 0.00 178.44 176.41 3ihh h PRO 182 N -0.07 0.00 0.00 1.13 0.11 -1.81 -1.50 132.00 129.87 3ihh h PRO 182 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3ihh h PRO 182 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3ihh h PRO 182 CO -0.86 0.00 -0.46 1.28 -0.21 0.00 0.00 178.00 177.75 3ihh n LEU 183 N -3.38 0.55 -4.80 2.35 4.77 0.05 -4.92 117.00 111.63 3ihh n LEU 183 Ca -0.03 0.21 -0.36 0.00 -0.03 0.00 0.00 56.01 55.80 3ihh n LEU 183 Cb 0.08 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 3ihh n LEU 183 CO 0.23 0.00 0.54 -0.04 -1.33 0.00 0.00 177.39 176.80 3ihh s MET 184 N -3.08 4.38 0.33 3.23 -1.94 -0.56 -4.29 119.30 117.36 3ihh s MET 184 Ca 0.09 1.08 0.01 0.00 -1.71 0.00 0.00 55.69 55.16 3ihh s MET 184 Cb 0.15 -2.74 0.55 0.00 2.01 0.00 0.00 34.83 34.80 3ihh s MET 184 CO 0.68 0.29 1.95 0.00 -0.01 0.00 0.00 175.02 177.93 3ihh h ALA 185 N 3.08 1.44 -2.85 3.03 0.00 -1.30 -3.44 119.26 119.22 3ihh h ALA 185 Ca -0.47 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 3ihh h ALA 185 Cb 1.19 -0.25 -0.21 0.00 0.00 0.00 0.00 17.79 18.52 3ihh h ALA 185 CO 0.65 0.47 -0.52 -0.51 0.00 0.00 0.00 179.25 179.33 3ihh s LEU 186 N -9.61 1.62 0.25 0.00 1.43 -1.26 -5.06 118.68 106.05 3ihh s LEU 186 Ca -0.10 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3ihh s LEU 186 Cb 0.17 0.59 -0.09 0.00 0.03 0.00 0.00 46.19 46.88 3ihh s LEU 186 CO 0.78 -0.32 1.03 -2.16 0.23 0.00 0.00 176.35 175.90 3ihh s PRO 187 N -1.22 4.72 0.35 1.29 0.04 -1.26 -4.96 135.00 133.96 3ihh s PRO 187 Ca -0.13 1.66 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 3ihh s PRO 187 Cb -0.07 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 3ihh s PRO 187 CO 0.01 0.32 1.44 -1.25 0.04 0.00 0.00 177.00 177.56 3ihh s PRO 188 N -1.20 4.18 -0.03 0.56 0.04 -1.26 -4.93 135.00 132.36 3ihh s PRO 188 Ca 0.44 2.47 0.11 0.00 0.04 0.00 0.00 61.00 64.05 3ihh s PRO 188 Cb -0.29 -3.00 -0.23 0.00 0.04 0.00 0.00 34.50 31.01 3ihh s PRO 188 CO 0.37 -0.44 0.70 0.00 0.04 0.00 0.00 177.00 177.66 3ihh s HIS 190 N -2.60 3.52 0.09 0.00 3.76 -1.26 -1.15 115.29 117.65 3ihh s HIS 190 Ca -0.05 -1.89 -0.16 0.00 -0.15 0.00 0.00 55.06 52.81 3ihh s HIS 190 Cb 0.08 -4.13 -0.08 0.00 1.11 0.00 0.00 32.58 29.56 3ihh s HIS 190 CO 0.82 -1.28 1.44 0.00 -0.85 0.00 0.00 174.74 174.87 3ihh h ALA 191 N 7.88 0.41 -2.92 -1.40 0.00 -1.63 -3.40 119.26 118.20 3ihh h ALA 191 Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3ihh h ALA 191 Cb 0.97 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 3ihh h ALA 191 CO 1.05 0.33 0.10 -0.48 0.00 0.00 0.00 179.25 180.26 3ihh s LEU 192 N -9.12 -0.12 0.03 0.00 0.05 -1.23 -0.99 118.68 107.29 3ihh s LEU 192 Ca -0.13 -0.38 -0.01 0.00 0.05 0.00 0.00 54.13 53.66 3ihh s LEU 192 Cb 0.08 2.34 -0.02 0.00 -2.05 0.00 0.00 46.19 46.54 3ihh s LEU 192 CO 0.80 -1.08 -0.01 0.00 -0.55 0.00 0.00 176.35 175.52 3ihh s GLN 194 N -2.10 0.96 0.31 0.00 0.74 -0.29 -0.89 119.66 118.40 3ihh s GLN 194 Ca -0.10 -0.48 0.09 0.00 0.05 0.00 0.00 55.36 54.92 3ihh s GLN 194 Cb -0.05 -0.93 -0.04 0.00 1.10 0.00 0.00 33.01 33.08 3ihh s GLN 194 CO -0.03 0.25 0.08 -0.06 -0.55 0.00 0.00 175.29 174.98 3ihh s PHE 195 N -0.38 2.70 -0.21 1.67 0.08 -0.20 -0.14 117.98 121.49 3ihh s PHE 195 Ca 0.04 -0.32 -0.22 0.00 0.12 0.00 0.00 56.93 56.54 3ihh s PHE 195 Cb -0.05 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 41.00 3ihh s PHE 195 CO -0.00 0.46 0.62 -0.47 -0.10 0.00 0.00 175.22 175.72 3ihh s TYR 196 N -2.39 -0.66 -0.08 0.36 6.14 -0.57 -4.51 117.35 115.64 3ihh s TYR 196 Ca 0.35 1.57 0.03 0.00 0.64 0.00 0.00 57.07 59.66 3ihh s TYR 196 Cb -0.04 0.25 0.01 0.00 0.42 0.00 0.00 41.96 42.60 3ihh s TYR 196 CO 0.21 -0.36 -0.17 0.08 0.64 0.00 0.00 175.55 175.96 3ihh s VAL 197 N 0.13 1.48 -0.03 3.14 1.01 -1.25 -0.60 120.40 124.27 3ihh s VAL 197 Ca -0.02 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3ihh s VAL 197 Cb -0.04 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3ihh s VAL 197 CO 0.02 0.43 0.31 0.54 0.00 0.00 0.00 175.10 176.40 3ihh s VAL 198 N 0.56 0.05 -1.40 2.92 0.11 -1.03 -4.73 120.40 116.89 3ihh s VAL 198 Ca -0.16 -0.40 -0.06 0.00 -2.93 0.00 0.00 61.98 58.44 3ihh s VAL 198 Cb -0.17 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 3ihh s VAL 198 CO 0.05 -0.22 0.47 -3.20 -3.33 0.00 0.00 175.10 168.88 3ihh n ASN 199 N 1.55 -4.84 -0.80 3.54 5.15 -1.26 -1.17 115.26 117.42 3ihh n ASN 199 Ca -0.20 -0.27 -0.10 0.00 -0.60 0.00 0.00 54.58 53.40 3ihh n ASN 199 Cb 0.56 -3.97 -0.04 0.00 -0.53 0.00 0.00 39.78 35.80 3ihh n ASN 199 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ihh n GLY 200 N -1.28 1.15 3.20 8.20 0.00 -1.26 -5.00 105.19 110.20 3ihh n GLY 200 Ca -0.08 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 3ihh n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihh s GLU 201 N -2.73 1.94 -0.23 1.61 2.02 -0.32 -1.76 118.70 119.23 3ihh s GLU 201 Ca 0.00 -0.74 -0.10 0.00 0.02 0.00 0.00 54.97 54.15 3ihh s GLU 201 Cb 0.00 -1.74 -0.05 0.00 0.10 0.00 0.00 34.13 32.44 3ihh s GLU 201 CO 0.00 0.36 0.16 -1.17 0.02 0.00 0.00 175.26 174.63 3ihh s LEU 202 N -0.23 4.13 0.32 1.80 2.96 0.07 -2.45 118.68 125.28 3ihh s LEU 202 Ca 0.01 0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.15 3ihh s LEU 202 Cb -0.11 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 3ihh s LEU 202 CO 0.01 0.09 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.63 3ihh s SER 203 N 0.93 4.01 -0.01 3.68 0.01 0.23 -0.13 113.70 122.41 3ihh s SER 203 Ca 0.08 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.34 3ihh s SER 203 Cb -0.13 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.63 3ihh s SER 203 CO 0.03 -0.15 -0.03 0.00 0.41 0.00 0.00 173.24 173.50 3ihh s GLN 205 N 0.30 2.84 -0.17 0.00 0.74 0.80 -0.92 119.66 123.25 3ihh s GLN 205 Ca -0.03 -0.80 -0.04 0.00 0.05 0.00 0.00 55.36 54.54 3ihh s GLN 205 Cb -0.06 -2.35 -0.02 0.00 1.10 0.00 0.00 33.01 31.67 3ihh s GLN 205 CO -0.00 0.35 -0.04 -1.17 -0.55 0.00 0.00 175.29 173.88 3ihh s LEU 206 N -0.06 3.12 -0.49 3.68 2.96 -0.27 -1.13 118.68 126.48 3ihh s LEU 206 Ca -0.05 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.46 3ihh s LEU 206 Cb -0.14 -1.76 0.06 0.00 0.50 0.00 0.00 46.19 44.84 3ihh s LEU 206 CO 0.04 0.11 0.57 -0.47 -1.32 0.00 0.00 176.35 175.28 3ihh s TYR 207 N 0.71 3.09 -0.29 5.38 5.04 -0.21 -0.79 117.35 130.29 3ihh s TYR 207 Ca -0.02 -0.57 -0.08 0.00 -2.44 0.00 0.00 57.07 53.96 3ihh s TYR 207 Cb -0.15 -3.41 -0.01 0.00 0.35 0.00 0.00 41.96 38.75 3ihh s TYR 207 CO 0.02 -0.96 0.11 -1.14 -1.34 0.00 0.00 175.55 172.24 3ihh s GLN 208 N 2.42 3.32 0.52 4.97 0.74 0.57 -1.90 119.66 130.30 3ihh s GLN 208 Ca 0.13 -0.72 0.30 0.00 0.05 0.00 0.00 55.36 55.13 3ihh s GLN 208 Cb -0.20 -3.44 1.13 0.00 1.10 0.00 0.00 33.01 31.61 3ihh s GLN 208 CO 0.11 -0.38 1.90 0.07 -0.55 0.00 0.00 175.29 176.45 3ihh h ARG 209 N 8.28 0.00 -2.30 1.67 0.11 -1.42 -1.03 114.38 119.69 3ihh h ARG 209 Ca -0.33 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.72 3ihh h ARG 209 Cb 1.15 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 31.98 3ihh h ARG 209 CO 0.60 0.04 -0.23 0.45 0.10 0.00 0.00 179.97 180.93 3ihh s SER 210 N -5.85 -0.66 -0.07 0.08 0.15 -1.26 -1.39 113.70 104.69 3ihh s SER 210 Ca 0.02 1.23 0.01 0.00 0.70 0.00 0.00 55.95 57.91 3ihh s SER 210 Cb 0.08 1.58 0.02 0.00 -1.71 0.00 0.00 66.02 66.00 3ihh s SER 210 CO 0.58 -0.22 -0.06 -0.83 1.20 0.00 0.00 173.24 173.90 3ihh s GLY 211 N 2.42 0.64 -0.57 9.45 0.00 -0.47 -4.95 107.32 113.84 3ihh s GLY 211 Ca -0.05 -0.29 -0.24 0.00 0.00 0.00 0.00 44.72 44.14 3ihh s GLY 211 CO -0.16 0.58 0.96 -0.35 0.00 0.00 0.00 173.10 174.13 3ihh s ASP 212 N 1.25 6.32 0.32 1.64 -1.08 -1.26 -1.83 116.67 122.03 3ihh s ASP 212 Ca -0.05 -0.40 0.01 0.00 -0.52 0.00 0.00 52.55 51.59 3ihh s ASP 212 Cb -0.14 -2.44 0.54 0.00 -1.46 0.00 0.00 42.92 39.43 3ihh s ASP 212 CO -0.02 -1.26 1.92 0.24 0.52 0.00 0.00 175.17 176.56 3ihh h MET 213 N 9.35 0.77 0.51 4.34 2.86 -1.71 0.09 114.93 131.15 3ihh h MET 213 Ca -0.26 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3ihh h MET 213 Cb 1.07 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3ihh h MET 213 CO 1.10 0.62 -0.24 0.78 1.06 0.00 0.00 176.91 180.23 3ihh h GLY 214 N 0.89 -0.71 0.00 8.32 0.00 -1.91 -3.39 103.07 106.26 3ihh h GLY 214 Ca 0.19 0.26 -0.36 0.00 0.00 0.00 0.00 47.33 47.42 3ihh h GLY 214 CO -0.02 -0.26 -2.36 1.04 0.00 0.00 0.00 176.54 174.94 3ihh n LEU 215 N -5.27 2.81 -0.07 3.11 4.32 -1.21 -4.79 117.00 115.89 3ihh n LEU 215 Ca -0.11 -0.12 -0.09 0.00 -0.02 0.00 0.00 56.01 55.67 3ihh n LEU 215 Cb 0.32 -0.76 -0.05 0.00 -1.62 0.00 0.00 43.42 41.30 3ihh n LEU 215 CO 0.30 0.88 -0.19 1.23 -1.22 0.00 0.00 177.39 178.38 3ihh h GLY 216 N 1.95 0.00 0.30 -0.72 0.00 -1.29 -3.41 103.07 99.91 3ihh h GLY 216 Ca -0.53 0.00 0.15 0.00 0.00 0.00 0.00 47.33 46.94 3ihh h GLY 216 CO -0.08 0.00 0.55 -2.08 0.00 0.00 0.00 176.54 174.93 3ihh h VAL 217 N -1.00 0.80 -0.77 4.60 2.07 -1.30 0.17 116.25 120.81 3ihh h VAL 217 Ca -0.09 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3ihh h VAL 217 Cb 0.66 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3ihh h VAL 217 CO -0.05 0.14 0.46 -0.65 0.02 0.00 0.00 177.57 177.49 3ihh h PRO 218 N 0.79 0.82 -0.26 1.57 0.11 -1.80 0.51 132.00 133.74 3ihh h PRO 218 Ca 0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.54 3ihh h PRO 218 Cb 0.65 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3ihh h PRO 218 CO -0.33 0.54 0.08 0.35 -0.21 0.00 0.00 178.00 178.44 3ihh h PHE 219 N 0.85 0.43 -0.60 0.65 3.04 -1.32 -2.74 116.94 117.24 3ihh h PHE 219 Ca 0.34 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.19 3ihh h PHE 219 Cb 0.18 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 3ihh h PHE 219 CO -0.05 0.46 0.16 -0.91 -2.02 0.00 0.00 178.31 175.96 3ihh h ASN 220 N 0.26 0.89 -0.53 0.41 -0.26 -0.23 -1.14 115.58 114.98 3ihh h ASN 220 Ca 0.09 -0.22 0.09 0.00 -0.56 0.00 0.00 56.30 55.69 3ihh h ASN 220 Cb 0.24 -0.23 -0.07 0.00 -1.06 0.00 0.00 38.32 37.19 3ihh h ASN 220 CO -0.00 0.88 0.13 0.40 -1.06 0.00 0.00 177.43 177.78 3ihh h ILE 221 N 0.86 0.72 -0.76 2.81 2.04 -0.89 -2.12 117.51 120.17 3ihh h ILE 221 Ca 0.19 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 3ihh h ILE 221 Cb 0.32 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3ihh h ILE 221 CO -0.00 0.05 0.32 0.00 0.00 0.00 0.00 178.15 178.52 3ihh h ALA 222 N 1.40 0.98 -0.36 1.87 0.00 -1.07 -1.40 119.26 120.68 3ihh h ALA 222 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ihh h ALA 222 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ihh h ALA 222 CO -0.33 0.58 0.10 0.77 0.00 0.00 0.00 179.25 180.38 3ihh h SER 223 N 1.08 0.54 1.09 0.00 0.02 -0.58 0.10 113.55 115.80 3ihh h SER 223 Ca 0.25 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 3ihh h SER 223 Cb 0.18 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3ihh h SER 223 CO -0.02 0.62 -0.93 1.88 -1.14 0.00 0.00 176.83 177.23 3ihh h TYR 224 N 0.44 0.00 -0.41 3.45 -1.99 -1.41 -0.04 116.97 117.01 3ihh h TYR 224 Ca 0.12 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 3ihh h TYR 224 Cb 0.28 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 3ihh h TYR 224 CO 0.01 0.84 0.04 0.00 -0.00 0.00 0.00 178.16 179.05 3ihh h ALA 225 N 1.16 0.55 -0.39 3.88 0.00 -1.18 0.12 119.26 123.40 3ihh h ALA 225 Ca -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3ihh h ALA 225 Cb 1.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3ihh h ALA 225 CO 0.10 0.29 0.16 1.25 0.00 0.00 0.00 179.25 181.06 3ihh h LEU 226 N 0.54 0.53 -0.78 0.00 5.85 -0.63 -0.57 115.31 120.26 3ihh h LEU 226 Ca 0.12 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3ihh h LEU 226 Cb 0.42 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3ihh h LEU 226 CO 0.01 0.54 0.43 0.25 -0.34 0.00 0.00 178.44 179.34 3ihh h LEU 227 N 0.48 0.62 -0.20 2.25 5.85 -0.77 -0.50 115.31 123.04 3ihh h LEU 227 Ca 0.13 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3ihh h LEU 227 Cb 0.17 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3ihh h LEU 227 CO -0.01 0.36 0.09 0.74 -0.34 0.00 0.00 178.44 179.29 3ihh h THR 228 N 0.74 1.14 -0.40 1.05 2.02 -0.41 -1.20 112.91 115.86 3ihh h THR 228 Ca 0.37 -0.41 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3ihh h THR 228 Cb 0.32 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 3ihh h THR 228 CO -0.24 0.14 0.05 1.88 0.37 0.00 0.00 175.52 177.72 3ihh h TYR 229 N 0.20 0.07 -0.02 3.16 -1.99 -0.29 -0.71 116.97 117.39 3ihh h TYR 229 Ca 0.07 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.84 3ihh h TYR 229 Cb 0.13 0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 3ihh h TYR 229 CO -0.02 -0.02 -0.04 0.52 -0.00 0.00 0.00 178.16 178.59 3ihh h MET 230 N 0.17 -0.07 -0.52 4.88 2.86 -0.89 0.33 114.93 121.70 3ihh h MET 230 Ca 0.19 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 3ihh h MET 230 Cb 0.25 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3ihh h MET 230 CO -0.28 -0.04 -0.13 0.82 1.06 0.00 0.00 176.91 178.34 3ihh h ILE 231 N -0.07 1.27 -0.54 -1.22 2.04 -1.04 -1.51 117.51 116.45 3ihh h ILE 231 Ca 0.03 -1.28 0.11 0.00 1.00 0.00 0.00 64.86 64.71 3ihh h ILE 231 Cb 0.10 1.02 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 3ihh h ILE 231 CO -0.06 0.45 -0.08 0.00 0.00 0.00 0.00 178.15 178.46 3ihh h ALA 232 N 0.91 0.42 0.45 1.87 0.00 -0.97 -0.98 119.26 120.95 3ihh h ALA 232 Ca 0.13 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3ihh h ALA 232 Cb 0.70 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ihh h ALA 232 CO 0.05 -0.42 -0.22 1.25 0.00 0.00 0.00 179.25 179.91 3ihh h HIS 233 N 0.04 -0.58 -0.01 0.00 -0.00 -0.21 -0.43 115.15 113.97 3ihh h HIS 233 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 3ihh h HIS 233 Cb 0.41 0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3ihh h HIS 233 CO -0.40 -0.36 0.01 0.82 -0.00 0.00 0.00 177.93 178.00 3ihh h ILE 234 N -0.61 0.71 -0.01 6.26 1.08 -1.05 -2.81 117.51 121.07 3ihh h ILE 234 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3ihh h ILE 234 Cb 0.47 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3ihh h ILE 234 CO 0.10 0.00 -0.54 0.35 -0.69 0.00 0.00 178.15 177.36 3ihh n THR 235 N -4.11 0.00 -2.26 -0.27 -2.24 -0.39 -4.96 114.28 100.04 3ihh n THR 235 Ca -0.03 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3ihh n THR 235 Cb 0.10 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3ihh n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihh n GLY 236 N 1.41 0.04 3.72 3.38 0.00 -0.28 -4.94 105.19 108.52 3ihh n GLY 236 Ca 0.08 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 3ihh n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihh s LEU 237 N -2.67 3.20 -0.12 0.99 1.43 -0.55 -5.06 118.68 115.91 3ihh s LEU 237 Ca 0.03 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 3ihh s LEU 237 Cb -0.01 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3ihh s LEU 237 CO 0.04 -0.35 0.25 -1.10 0.23 0.00 0.00 176.35 175.42 3ihh s GLN 238 N -3.85 3.91 0.30 1.70 -1.52 -0.72 -4.37 119.66 115.11 3ihh s GLN 238 Ca 0.38 0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.55 3ihh s GLN 238 Cb -0.01 -3.30 -0.12 0.00 -0.22 0.00 0.00 33.01 29.36 3ihh s GLN 238 CO 0.22 0.52 1.60 -2.30 -0.25 0.00 0.00 175.29 175.09 3ihh n PRO 239 N 2.66 2.73 0.00 2.91 -0.02 -1.26 -0.75 135.00 141.26 3ihh n PRO 239 Ca -0.15 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3ihh n PRO 239 Cb 0.53 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3ihh n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihh n GLY 240 N 2.15 -0.02 3.33 -1.23 0.00 0.82 -4.16 105.19 106.08 3ihh n GLY 240 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3ihh n GLY 240 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ihh s ASP 241 N -0.96 2.84 -0.26 1.61 1.01 -1.26 -1.13 116.67 118.52 3ihh s ASP 241 Ca 0.00 -0.70 -0.07 0.00 0.71 0.00 0.00 52.55 52.49 3ihh s ASP 241 Cb 0.00 -0.17 -0.02 0.00 1.01 0.00 0.00 42.92 43.74 3ihh s ASP 241 CO 0.00 0.11 0.07 0.12 0.21 0.00 0.00 175.17 175.68 3ihh s PHE 242 N -1.10 3.09 -0.33 4.23 5.36 -0.48 -1.70 117.98 127.04 3ihh s PHE 242 Ca 0.09 -0.58 -0.11 0.00 -0.96 0.00 0.00 56.93 55.37 3ihh s PHE 242 Cb -0.10 -2.24 -0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3ihh s PHE 242 CO 0.05 -0.42 0.20 0.08 -1.46 0.00 0.00 175.22 173.67 3ihh s VAL 243 N 1.58 4.92 -0.37 3.12 1.01 -0.09 -0.25 120.40 130.31 3ihh s VAL 243 Ca 0.06 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 3ihh s VAL 243 Cb -0.16 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3ihh s VAL 243 CO 0.03 -0.01 0.23 -2.28 0.00 0.00 0.00 175.10 173.07 3ihh s HIS 244 N 1.66 3.23 -0.19 5.22 2.46 -0.06 -1.11 115.29 126.50 3ihh s HIS 244 Ca 0.05 -0.74 -0.08 0.00 0.47 0.00 0.00 55.06 54.77 3ihh s HIS 244 Cb -0.17 -2.48 -0.04 0.00 -0.13 0.00 0.00 32.58 29.75 3ihh s HIS 244 CO 0.08 -0.58 0.08 0.99 -2.47 0.00 0.00 174.74 172.84 3ihh s THR 245 N 1.61 4.91 -0.02 0.89 2.01 0.03 -0.98 115.64 124.10 3ihh s THR 245 Ca 0.04 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.09 3ihh s THR 245 Cb -0.19 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3ihh s THR 245 CO 0.08 0.45 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.57 3ihh s LEU 246 N 0.39 2.83 0.00 4.42 1.43 -0.78 -0.31 118.68 126.65 3ihh s LEU 246 Ca 0.04 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3ihh s LEU 246 Cb -0.12 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3ihh s LEU 246 CO -0.00 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3ihh n GLY 247 N 1.98 1.72 3.51 -3.19 0.00 -0.39 -2.06 105.19 106.76 3ihh n GLY 247 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3ihh n GLY 247 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihh s ASP 248 N -1.00 6.26 -0.31 1.61 -1.08 -0.49 -0.67 116.67 120.99 3ihh s ASP 248 Ca 0.00 -0.95 -0.22 0.00 -0.52 0.00 0.00 52.55 50.85 3ihh s ASP 248 Cb 0.00 -2.50 -0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3ihh s ASP 248 CO 0.00 -1.57 0.73 0.00 0.52 0.00 0.00 175.17 174.84 3ihh s ALA 249 N 4.74 3.52 0.03 3.66 0.00 -0.29 -1.37 121.76 132.04 3ihh s ALA 249 Ca 0.32 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 3ihh s ALA 249 Cb -0.09 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3ihh s ALA 249 CO 0.07 -1.19 -0.03 -3.38 0.00 0.00 0.00 175.76 171.23 3ihh s HIS 250 N 2.84 0.36 -0.17 0.00 -3.43 -0.76 -0.60 115.29 113.53 3ihh s HIS 250 Ca 0.30 -0.64 -0.01 0.00 -0.80 0.00 0.00 55.06 53.90 3ihh s HIS 250 Cb -0.14 -0.25 -0.00 0.00 -1.43 0.00 0.00 32.58 30.75 3ihh s HIS 250 CO 0.13 -0.22 -0.13 0.42 -2.00 0.00 0.00 174.74 172.94 3ihh s ILE 251 N -1.99 2.80 0.41 -5.38 1.01 -0.41 -1.62 121.20 116.00 3ihh s ILE 251 Ca -0.10 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 3ihh s ILE 251 Cb -0.06 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.12 3ihh s ILE 251 CO -0.03 0.50 1.25 -0.31 0.00 0.00 0.00 174.94 176.35 3ihh s TYR 252 N 0.93 2.91 0.59 3.97 2.02 -1.26 -1.38 117.35 125.14 3ihh s TYR 252 Ca -0.03 1.47 0.29 0.00 -0.37 0.00 0.00 57.07 58.44 3ihh s TYR 252 Cb -0.15 -3.56 1.74 0.00 -0.40 0.00 0.00 41.96 39.60 3ihh s TYR 252 CO -0.01 -1.78 2.17 -0.07 -1.57 0.00 0.00 175.55 174.29 3ihh h LEU 253 N 2.63 0.00 -0.27 -1.29 3.38 -1.62 -0.97 115.31 117.17 3ihh h LEU 253 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ihh h LEU 253 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ihh h LEU 253 CO 0.62 0.00 -0.00 -0.46 0.09 0.00 0.00 178.44 178.69 3ihh n ASN 254 N -3.81 0.43 -0.50 -0.43 6.94 -1.26 -3.58 115.26 113.05 3ihh n ASN 254 Ca -0.01 -1.13 0.06 0.00 -0.02 0.00 0.00 54.58 53.48 3ihh n ASN 254 Cb 0.21 -0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.69 3ihh n ASN 254 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3ihh n HIS 255 N -0.67 0.03 0.01 -2.53 8.25 -0.37 -4.69 115.22 115.25 3ihh n HIS 255 Ca 0.22 -0.03 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 3ihh n HIS 255 Cb 0.18 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 3ihh n HIS 255 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ihh h ILE 256 N 2.36 1.08 -0.33 1.59 2.04 -1.62 -1.45 117.51 121.19 3ihh h ILE 256 Ca 0.00 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 3ihh h ILE 256 Cb 0.52 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3ihh h ILE 256 CO 0.00 0.07 -0.29 -0.33 0.00 0.00 0.00 178.15 177.60 3ihh h GLU 257 N 0.01 0.78 -0.39 2.37 4.39 -1.85 -1.56 114.58 118.33 3ihh h GLU 257 Ca 0.02 -0.40 0.02 0.00 0.34 0.00 0.00 59.36 59.35 3ihh h GLU 257 Cb 0.08 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3ihh h GLU 257 CO -0.00 1.03 0.22 -1.35 -1.16 0.00 0.00 179.01 177.74 3ihh h PRO 258 N 0.55 0.43 -0.37 2.33 0.11 -1.84 -2.50 132.00 130.71 3ihh h PRO 258 Ca 0.06 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.16 3ihh h PRO 258 Cb 0.87 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3ihh h PRO 258 CO 0.07 0.28 0.25 -0.07 -0.21 0.00 0.00 178.00 178.32 3ihh h LEU 259 N 0.44 0.36 -0.78 2.35 3.38 -1.08 -1.83 115.31 118.16 3ihh h LEU 259 Ca 0.16 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3ihh h LEU 259 Cb 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ihh h LEU 259 CO -0.09 0.26 0.05 0.11 0.09 0.00 0.00 178.44 178.85 3ihh h LYS 260 N 0.43 0.97 0.28 1.13 1.57 -0.86 0.23 116.57 120.32 3ihh h LYS 260 Ca 0.15 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3ihh h LYS 260 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3ihh h LYS 260 CO -0.03 0.93 -0.22 0.82 -0.57 0.00 0.00 179.45 180.38 3ihh h ILE 261 N 0.91 0.52 -0.97 1.86 2.04 -1.09 -3.13 117.51 117.66 3ihh h ILE 261 Ca 0.17 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.14 3ihh h ILE 261 Cb 0.47 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 3ihh h ILE 261 CO 0.02 0.00 0.60 -0.61 0.00 0.00 0.00 178.15 178.16 3ihh h GLN 262 N -0.51 0.95 0.00 2.37 4.15 -1.03 0.23 115.11 121.27 3ihh h GLN 262 Ca -0.02 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3ihh h GLN 262 Cb 0.45 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3ihh h GLN 262 CO -0.02 0.63 0.00 -0.07 -1.93 0.00 0.00 178.83 177.44 3ihh h LEU 263 N 0.98 0.00 -0.78 -2.39 3.38 -0.90 -1.03 115.31 114.57 3ihh h LEU 263 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3ihh h LEU 263 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ihh h LEU 263 CO -0.25 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.28 3ihh n GLN 264 N -2.47 1.54 -3.36 1.13 10.64 0.07 -4.84 117.38 120.09 3ihh n GLN 264 Ca -0.01 -0.78 -0.38 0.00 -1.83 0.00 0.00 57.00 54.00 3ihh n GLN 264 Cb 0.09 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 27.93 3ihh n GLN 264 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3ihh s ARG 265 N -1.99 4.25 0.10 2.61 0.52 -0.39 -5.04 118.95 119.00 3ihh s ARG 265 Ca 0.39 0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 55.61 3ihh s ARG 265 Cb 0.21 -3.49 -0.06 0.00 0.52 0.00 0.00 34.95 32.13 3ihh s ARG 265 CO 0.34 0.05 1.04 -1.21 0.02 0.00 0.00 175.30 175.53 3ihh s GLU 266 N 1.02 4.60 0.42 3.54 0.41 -1.26 -4.97 118.70 122.45 3ihh s GLU 266 Ca 0.22 1.57 -0.26 0.00 -0.41 0.00 0.00 54.97 56.09 3ihh s GLU 266 Cb -0.15 -3.36 -0.09 0.00 -1.78 0.00 0.00 34.13 28.75 3ihh s GLU 266 CO 0.08 0.04 1.41 -2.14 -0.49 0.00 0.00 175.26 174.17 3ihh s PRO 267 N 0.30 3.86 0.35 0.39 0.02 -1.26 -4.85 135.00 133.81 3ihh s PRO 267 Ca 0.51 2.40 0.09 0.00 0.02 0.00 0.00 61.00 64.02 3ihh s PRO 267 Cb -0.25 -2.76 -0.06 0.00 0.02 0.00 0.00 34.50 31.44 3ihh s PRO 267 CO 0.31 -0.67 -0.08 1.03 -0.33 0.00 0.00 177.00 177.26 3ihh s ARG 268 N -2.31 1.86 0.02 5.54 0.52 -1.26 -5.09 118.95 118.23 3ihh s ARG 268 Ca 0.58 -1.92 -0.38 0.00 -0.52 0.00 0.00 55.73 53.49 3ihh s ARG 268 Cb -0.43 -1.73 -0.17 0.00 0.52 0.00 0.00 34.95 33.13 3ihh s ARG 268 CO 0.56 0.13 1.35 -2.30 0.02 0.00 0.00 175.30 175.07 3ihh n PRO 269 N -0.82 0.94 -1.45 3.54 -0.02 -1.26 -4.80 135.00 131.13 3ihh n PRO 269 Ca -0.05 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 3ihh n PRO 269 Cb 0.63 -1.96 0.08 0.00 -0.02 0.00 0.00 33.50 32.23 3ihh n PRO 269 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ihh n PHE 270 N 2.71 0.81 -1.02 6.00 3.72 -1.26 -4.98 117.46 123.44 3ihh n PHE 270 Ca 0.20 0.40 -0.19 0.00 -0.05 0.00 0.00 57.45 57.81 3ihh n PHE 270 Cb 0.16 -2.11 0.15 0.00 -0.94 0.00 0.00 39.48 36.75 3ihh n PHE 270 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ihh n PRO 271 N -1.69 -2.03 -4.31 -1.08 -0.04 -1.25 -4.73 135.00 119.86 3ihh n PRO 271 Ca 0.13 -1.17 -0.29 0.00 -0.04 0.00 0.00 63.50 62.14 3ihh n PRO 271 Cb 0.49 -1.01 -0.11 0.00 -0.04 0.00 0.00 33.50 32.82 3ihh n PRO 271 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ihh s LYS 272 N -4.65 1.75 -0.19 0.54 1.02 -0.53 -0.92 119.74 116.76 3ihh s LYS 272 Ca 0.46 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 3ihh s LYS 272 Cb -0.04 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 3ihh s LYS 272 CO 0.35 0.47 -0.04 -1.17 -0.92 0.00 0.00 175.35 174.04 3ihh s LEU 273 N -2.19 3.06 -0.07 3.17 2.96 -1.26 -1.08 118.68 123.26 3ihh s LEU 273 Ca 0.18 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3ihh s LEU 273 Cb -0.10 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3ihh s LEU 273 CO 0.10 0.06 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.58 3ihh s LYS 274 N 1.01 2.79 -0.22 1.98 -0.14 -0.12 -5.00 119.74 120.04 3ihh s LYS 274 Ca 0.01 -0.56 -0.07 0.00 -1.36 0.00 0.00 55.97 53.99 3ihh s LYS 274 Cb -0.15 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 3ihh s LYS 274 CO 0.01 0.63 0.07 0.42 -0.76 0.00 0.00 175.35 175.72 3ihh s ILE 275 N -0.73 4.53 -2.50 2.17 1.01 -1.26 -1.29 121.20 123.13 3ihh s ILE 275 Ca 0.11 -0.11 0.27 0.00 0.00 0.00 0.00 60.65 60.92 3ihh s ILE 275 Cb -0.11 -3.09 0.42 0.00 0.01 0.00 0.00 42.46 39.69 3ihh s ILE 275 CO 0.02 0.38 1.60 0.18 0.00 0.00 0.00 174.94 177.12 3ihh n LEU 276 N 4.36 1.78 -3.99 2.97 4.77 0.73 -4.87 117.00 122.73 3ihh n LEU 276 Ca -0.16 -0.59 -0.10 0.00 -0.03 0.00 0.00 56.01 55.14 3ihh n LEU 276 Cb 0.52 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3ihh n LEU 276 CO 0.33 0.30 0.21 0.00 -1.33 0.00 0.00 177.39 176.89 3ihh s ARG 277 N -2.08 1.65 -0.50 3.23 1.70 -1.26 -5.09 118.95 116.60 3ihh s ARG 277 Ca 0.34 -1.32 -0.23 0.00 -0.47 0.00 0.00 55.73 54.05 3ihh s ARG 277 Cb 0.20 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 35.10 3ihh s ARG 277 CO 0.36 -0.70 0.81 0.21 -1.08 0.00 0.00 175.30 174.90 3ihh s LYS 278 N -3.78 3.32 -0.13 3.89 2.47 -1.26 -5.02 119.74 119.22 3ihh s LYS 278 Ca 0.23 -0.33 -0.04 0.00 -1.56 0.00 0.00 55.97 54.27 3ihh s LYS 278 Cb -0.01 -4.02 -0.03 0.00 -1.46 0.00 0.00 37.83 32.31 3ihh s LYS 278 CO 0.11 -1.28 0.01 0.08 0.16 0.00 0.00 175.35 174.42 3ihh s VAL 279 N 3.41 4.31 -0.15 4.02 1.01 -1.26 -5.02 120.40 126.72 3ihh s VAL 279 Ca 0.27 -0.23 0.19 0.00 0.00 0.00 0.00 61.98 62.21 3ihh s VAL 279 Cb -0.14 -2.87 -0.26 0.00 0.00 0.00 0.00 36.38 33.11 3ihh s VAL 279 CO 0.19 0.53 0.23 -0.62 0.00 0.00 0.00 175.10 175.43 3ihh n GLU 280 N 2.92 0.68 -4.13 2.72 -0.58 -1.26 -4.53 120.64 116.46 3ihh n GLU 280 Ca -0.18 -0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.40 3ihh n GLU 280 Cb 0.53 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.74 3ihh n GLU 280 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3ihh s THR 281 N -2.76 0.76 0.45 2.62 -4.23 -1.26 -4.93 115.64 106.28 3ihh s THR 281 Ca -0.09 -1.42 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 3ihh s THR 281 Cb 0.08 -1.07 0.19 0.00 1.34 0.00 0.00 72.50 73.04 3ihh s THR 281 CO 0.85 -0.50 2.00 -0.29 -0.54 0.00 0.00 174.62 176.14 3ihh h ILE 282 N 3.94 1.12 0.00 2.99 6.09 -1.95 -1.81 117.51 127.89 3ihh h ILE 282 Ca -0.37 -0.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 3ihh h ILE 282 Cb 1.19 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.72 3ihh h ILE 282 CO 0.48 0.16 0.00 0.44 -3.07 0.00 0.00 178.15 176.17 3ihh h ASP 283 N 0.06 0.00 0.91 2.19 5.19 -1.96 -3.18 116.42 119.63 3ihh h ASP 283 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3ihh h ASP 283 Cb 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 3ihh h ASP 283 CO 0.02 0.00 -0.34 -0.67 -3.12 0.00 0.00 179.24 175.13 3ihh n ASP 284 N -2.94 0.52 -4.77 6.45 2.03 -0.68 -4.89 116.55 112.28 3ihh n ASP 284 Ca 0.00 0.19 -0.41 0.00 0.52 0.00 0.00 54.79 55.09 3ihh n ASP 284 Cb 0.25 -0.14 -0.01 0.00 -0.72 0.00 0.00 41.12 40.49 3ihh n ASP 284 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ihh s PHE 285 N -3.07 2.88 0.17 -0.67 0.08 -1.20 -5.02 117.98 111.14 3ihh s PHE 285 Ca 0.10 1.23 0.08 0.00 0.12 0.00 0.00 56.93 58.45 3ihh s PHE 285 Cb 0.15 -3.84 -0.04 0.00 -0.57 0.00 0.00 43.02 38.73 3ihh s PHE 285 CO 0.65 -2.47 -0.16 0.15 -0.10 0.00 0.00 175.22 173.29 3ihh s LYS 286 N -1.53 1.24 0.29 0.44 1.02 -1.26 -5.05 119.74 114.89 3ihh s LYS 286 Ca 0.53 -1.42 0.03 0.00 0.02 0.00 0.00 55.97 55.12 3ihh s LYS 286 Cb -0.43 -1.19 0.72 0.00 -0.52 0.00 0.00 37.83 36.42 3ihh s LYS 286 CO 0.54 0.23 1.67 0.28 -0.92 0.00 0.00 175.35 177.15 3ihh h VAL 287 N 3.11 0.41 0.00 3.17 2.07 -1.95 -0.67 116.25 122.38 3ihh h VAL 287 Ca -0.41 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3ihh h VAL 287 Cb 1.21 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3ihh h VAL 287 CO 0.54 0.06 0.00 -1.84 0.02 0.00 0.00 177.57 176.35 3ihh n GLU 288 N -5.12 0.58 0.00 1.57 0.00 -1.26 -2.29 120.64 114.12 3ihh n GLU 288 Ca 0.22 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.54 3ihh n GLU 288 Cb 0.67 -1.50 0.62 0.00 0.00 0.00 0.00 31.44 31.23 3ihh n GLU 288 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ihh n ASP 289 N -1.11 0.00 -4.36 -1.84 8.00 -0.26 -4.84 116.55 112.13 3ihh n ASP 289 Ca 0.15 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.60 3ihh n ASP 289 Cb 0.12 -0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 40.66 3ihh n ASP 289 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ihh s PHE 290 N -2.83 2.39 -0.04 1.24 0.08 -0.97 -0.20 117.98 117.65 3ihh s PHE 290 Ca 0.18 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 3ihh s PHE 290 Cb 0.18 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.21 3ihh s PHE 290 CO 0.46 0.10 0.07 -1.14 -0.10 0.00 0.00 175.22 174.61 3ihh s GLN 291 N -1.05 -0.04 -0.18 0.44 0.74 -0.41 -4.97 119.66 114.18 3ihh s GLN 291 Ca 0.12 0.35 -0.22 0.00 0.05 0.00 0.00 55.36 55.65 3ihh s GLN 291 Cb -0.10 -0.38 -0.02 0.00 1.10 0.00 0.00 33.01 33.60 3ihh s GLN 291 CO 0.02 -0.27 0.69 0.42 -0.55 0.00 0.00 175.29 175.59 3ihh s ILE 292 N 1.80 4.99 -0.15 -2.34 -1.09 -1.26 -0.95 121.20 122.20 3ihh s ILE 292 Ca -0.00 1.32 -0.02 0.00 -2.23 0.00 0.00 60.65 59.71 3ihh s ILE 292 Cb -0.12 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 3ihh s ILE 292 CO -0.04 0.10 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.09 3ihh s GLU 293 N 1.90 3.56 0.00 2.79 2.02 -0.24 -4.70 118.70 124.03 3ihh s GLU 293 Ca 0.32 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.72 3ihh s GLU 293 Cb -0.16 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3ihh s GLU 293 CO 0.11 0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.02 3ihh n GLY 294 N 3.57 0.68 3.39 -1.39 0.00 -1.26 -1.45 105.19 108.74 3ihh n GLY 294 Ca -0.18 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 3ihh n GLY 294 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ihh s TYR 295 N -2.42 3.17 -0.42 1.61 5.04 -1.26 -4.36 117.35 118.70 3ihh s TYR 295 Ca 0.00 -0.78 0.07 0.00 -2.44 0.00 0.00 57.07 53.93 3ihh s TYR 295 Cb 0.00 -2.32 0.24 0.00 0.35 0.00 0.00 41.96 40.24 3ihh s TYR 295 CO 0.00 -0.52 0.60 -1.71 -1.34 0.00 0.00 175.55 172.58 3ihh n ASN 296 N 4.93 -0.69 -4.81 4.32 5.15 -1.26 -5.13 115.26 117.77 3ihh n ASN 296 Ca -0.14 -2.82 -0.31 0.00 -0.60 0.00 0.00 54.58 50.71 3ihh n ASN 296 Cb 0.48 0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.80 3ihh n ASN 296 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ihh s PRO 297 N -0.60 2.85 0.80 1.20 0.04 -1.26 -5.03 135.00 133.00 3ihh s PRO 297 Ca 0.34 1.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 3ihh s PRO 297 Cb 0.17 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.76 3ihh s PRO 297 CO -0.15 -1.17 0.77 0.72 0.04 0.00 0.00 177.00 177.21 3ihh n HIS 298 N -3.03 -0.11 -1.47 0.56 8.25 -0.84 -4.76 115.22 113.83 3ihh n HIS 298 Ca 0.08 0.35 -0.31 0.00 -0.26 0.00 0.00 57.72 57.58 3ihh n HIS 298 Cb 0.53 -1.97 0.08 0.00 1.12 0.00 0.00 29.99 29.75 3ihh n HIS 298 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3ihh s PRO 299 N -3.46 2.46 0.95 -0.41 0.04 -1.26 -1.47 135.00 131.85 3ihh s PRO 299 Ca 0.67 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 3ihh s PRO 299 Cb -0.30 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 32.46 3ihh s PRO 299 CO 0.57 -1.43 1.10 0.95 0.04 0.00 0.00 177.00 178.23 3ihh s THR 300 N -3.03 2.36 -0.04 1.26 -4.23 -1.26 -4.34 115.64 106.36 3ihh s THR 300 Ca 0.60 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.26 3ihh s THR 300 Cb -0.15 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 3ihh s THR 300 CO 0.55 -0.15 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.71 3ihh s ILE 301 N -2.70 3.13 -0.00 2.99 1.01 -1.26 -5.01 121.20 119.36 3ihh s ILE 301 Ca 0.66 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 3ihh s ILE 301 Cb -0.21 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3ihh s ILE 301 CO 0.59 0.55 0.61 0.29 0.00 0.00 0.00 174.94 176.98 3ihh n LYS 302 N 2.14 0.00 -1.34 2.79 4.76 -1.26 -4.66 118.16 120.60 3ihh n LYS 302 Ca -0.17 -0.08 -0.03 0.00 -2.87 0.00 0.00 58.31 55.16 3ihh n LYS 302 Cb 0.52 -1.13 0.11 0.00 -1.84 0.00 0.00 35.03 32.70 3ihh n LYS 302 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ihh n MET 303 N 3.91 1.83 -0.94 1.97 0.00 -1.26 -4.95 117.12 117.69 3ihh n MET 303 Ca 0.04 -3.31 -0.30 0.00 0.00 0.00 0.00 57.70 54.13 3ihh n MET 303 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.00 3ihh n MET 303 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3ihh n GLU 304 N -0.68 0.00 0.04 3.17 0.28 -1.26 -4.88 120.64 117.31 3ihh n GLU 304 Ca 0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.21 3ihh n GLU 304 Cb 0.85 -0.74 0.28 0.00 1.43 0.00 0.00 31.44 33.27 3ihh n GLU 304 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ihh h MET 305 N 0.11 0.42 -5.79 3.44 -0.00 -1.99 -3.48 114.93 107.64 3ihh h MET 305 Ca -0.29 -0.12 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 3ihh h MET 305 Cb 1.07 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 32.59 3ihh h MET 305 CO 0.33 0.57 -0.77 0.00 -0.00 0.00 0.00 176.91 177.03 3ihh n ALA 306 N -2.48 -2.26 -1.00 -3.00 0.00 -1.26 -5.10 120.51 105.41 3ihh n ALA 306 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3ihh n ALA 306 Cb 0.33 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3ihh n ALA 306 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05