#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihh n HIS 22 N 0.00 0.00 0.00 -0.14 -0.00 -1.26 -3.44 115.22 110.38 3ihh n HIS 22 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3ihh n HIS 22 Cb 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.73 3ihh n HIS 22 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ihh n GLY 23 N 0.00 1.96 0.34 1.57 0.00 -1.26 -4.63 105.19 103.17 3ihh n GLY 23 Ca 0.00 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.92 3ihh n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ihh h GLU 24 N 0.00 0.19 -0.10 1.61 4.81 -1.95 -1.35 114.58 117.78 3ihh h GLU 24 Ca 0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3ihh h GLU 24 Cb 0.00 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 3ihh h GLU 24 CO 0.00 0.12 0.08 -0.07 -0.73 0.00 0.00 179.01 178.41 3ihh h LEU 25 N 0.19 0.00 -0.05 1.64 3.38 -1.82 0.23 115.31 118.88 3ihh h LEU 25 Ca 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 3ihh h LEU 25 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3ihh h LEU 25 CO -0.03 0.00 -0.39 1.56 0.09 0.00 0.00 178.44 179.66 3ihh h GLN 26 N 0.00 0.35 -0.35 1.13 4.20 -1.43 -1.76 115.11 117.25 3ihh h GLN 26 Ca 0.05 -0.32 0.05 0.00 0.06 0.00 0.00 58.65 58.50 3ihh h GLN 26 Cb 0.20 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 3ihh h GLN 26 CO -0.00 0.97 -0.52 -0.92 -0.67 0.00 0.00 178.83 177.69 3ihh h TYR 27 N -0.16 -1.56 -0.96 2.96 5.03 -1.25 -0.34 116.97 120.70 3ihh h TYR 27 Ca -0.04 0.07 0.12 0.00 2.58 0.00 0.00 58.73 61.47 3ihh h TYR 27 Cb 1.07 0.73 -0.08 0.00 1.55 0.00 0.00 36.73 40.00 3ihh h TYR 27 CO 0.14 -0.49 0.58 -0.07 -1.32 0.00 0.00 178.16 177.00 3ihh h LEU 28 N -0.42 0.84 -0.88 2.82 3.38 -0.62 -1.34 115.31 119.08 3ihh h LEU 28 Ca 0.08 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3ihh h LEU 28 Cb 0.61 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3ihh h LEU 28 CO -0.56 0.44 -0.03 0.03 0.09 0.00 0.00 178.44 178.41 3ihh h ARG 29 N 0.91 0.80 -0.10 1.13 3.08 -0.80 -0.96 114.38 118.43 3ihh h ARG 29 Ca 0.48 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3ihh h ARG 29 Cb 0.50 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3ihh h ARG 29 CO -0.28 0.82 0.06 1.96 -1.07 0.00 0.00 179.97 181.47 3ihh h GLN 30 N 0.74 0.14 -0.19 0.04 4.20 -0.03 0.28 115.11 120.29 3ihh h GLN 30 Ca 0.14 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.88 3ihh h GLN 30 Cb 0.49 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3ihh h GLN 30 CO 0.02 0.12 -0.08 0.28 -0.67 0.00 0.00 178.83 178.51 3ihh h VAL 31 N 0.11 0.74 -0.82 -0.54 2.07 -1.13 -1.06 116.25 115.63 3ihh h VAL 31 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 3ihh h VAL 31 Cb 0.02 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 3ihh h VAL 31 CO -0.01 0.00 0.43 -0.33 0.02 0.00 0.00 177.57 177.68 3ihh h GLU 32 N -0.05 0.65 -0.52 1.57 5.08 -1.01 -1.10 114.58 119.21 3ihh h GLU 32 Ca 0.10 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3ihh h GLU 32 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3ihh h GLU 32 CO -0.22 0.43 -0.11 1.25 -1.00 0.00 0.00 179.01 179.36 3ihh h HIS 33 N 0.67 1.09 -0.02 4.33 2.76 -0.40 -2.22 115.15 121.36 3ihh h HIS 33 Ca 0.42 -0.22 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3ihh h HIS 33 Cb 0.51 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 3ihh h HIS 33 CO -0.09 1.02 0.01 0.82 -1.30 0.00 0.00 177.93 178.39 3ihh h ILE 34 N 0.87 1.14 -0.85 6.26 2.04 -0.54 0.19 117.51 126.61 3ihh h ILE 34 Ca 0.14 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.69 3ihh h ILE 34 Cb 0.66 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 3ihh h ILE 34 CO 0.05 0.11 0.50 -0.07 0.00 0.00 0.00 178.15 178.73 3ihh h LEU 35 N -0.14 0.73 0.00 1.44 3.38 -1.13 0.29 115.31 119.88 3ihh h LEU 35 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ihh h LEU 35 Cb 0.17 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ihh h LEU 35 CO -0.00 0.42 -1.42 -1.14 0.09 0.00 0.00 178.44 176.39 3ihh n ARG 36 N -4.71 0.63 0.00 1.13 0.63 -0.84 -4.48 116.66 109.01 3ihh n ARG 36 Ca 0.14 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 3ihh n ARG 36 Cb 0.28 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.48 3ihh n ARG 36 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ihh s GLY 38 N -1.03 2.08 -0.05 0.00 0.00 0.10 -5.00 107.32 103.43 3ihh s GLY 38 Ca 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 44.72 45.33 3ihh s GLY 38 CO 0.00 1.02 0.08 -1.36 0.00 0.00 0.00 173.10 172.84 3ihh s PHE 39 N -2.34 3.34 0.13 1.90 0.40 -0.41 -4.65 117.98 116.34 3ihh s PHE 39 Ca 0.69 0.28 -0.35 0.00 -0.60 0.00 0.00 56.93 56.95 3ihh s PHE 39 Cb -0.24 -1.80 -0.15 0.00 0.51 0.00 0.00 43.02 41.34 3ihh s PHE 39 CO 0.48 0.58 1.40 1.17 0.70 0.00 0.00 175.22 179.54 3ihh n LYS 40 N 1.57 1.52 -3.63 0.44 0.00 -1.26 -1.00 118.16 115.80 3ihh n LYS 40 Ca -0.16 0.55 -0.13 0.00 0.00 0.00 0.00 58.31 58.57 3ihh n LYS 40 Cb 0.53 -2.21 -0.13 0.00 0.00 0.00 0.00 35.03 33.22 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 0.45 0.17 0.69 1.64 2.20 -0.69 -4.92 119.74 119.27 3ihh s LYS 41 Ca 0.80 0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 56.99 3ihh s LYS 41 Cb -0.84 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 35.36 3ihh s LYS 41 CO 0.45 -0.33 1.09 -1.21 -0.36 0.00 0.00 175.35 174.99 3ihh s GLU 42 N 2.43 2.75 0.23 4.03 0.41 -1.26 -1.10 118.70 126.18 3ihh s GLU 42 Ca 0.02 1.23 0.04 0.00 -0.41 0.00 0.00 54.97 55.85 3ihh s GLU 42 Cb -0.12 -1.95 -0.05 0.00 -1.78 0.00 0.00 34.13 30.22 3ihh s GLU 42 CO -0.09 -1.27 -0.02 0.16 -0.49 0.00 0.00 175.26 173.54 3ihh s ASP 43 N -3.03 2.02 0.12 -0.19 -4.77 -1.26 -4.85 116.67 104.70 3ihh s ASP 43 Ca 0.63 -1.19 -0.17 0.00 -3.30 0.00 0.00 52.55 48.52 3ihh s ASP 43 Cb -0.18 -0.03 0.03 0.00 -1.09 0.00 0.00 42.92 41.65 3ihh s ASP 43 CO 0.47 -0.46 0.99 -1.14 0.70 0.00 0.00 175.17 175.73 3ihh n ARG 44 N -0.43 -0.23 0.12 2.11 0.63 -1.26 -2.86 116.66 114.73 3ihh n ARG 44 Ca -0.06 0.97 0.12 0.00 -0.92 0.00 0.00 57.85 57.97 3ihh n ARG 44 Cb 0.63 -1.43 0.46 0.00 0.45 0.00 0.00 32.46 32.57 3ihh n ARG 44 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3ihh n THR 45 N -4.85 0.73 0.00 5.15 -2.24 -1.26 -4.89 114.28 106.92 3ihh n THR 45 Ca 0.03 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3ihh n THR 45 Cb 0.20 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 3ihh n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihh n GLY 46 N 0.49 2.34 0.19 3.38 0.00 -1.14 -4.90 105.19 105.55 3ihh n GLY 46 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 1.35 0.00 2.61 2.02 -1.90 -3.48 112.91 113.51 3ihh h THR 47 Ca 0.00 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.15 3ihh h THR 47 Cb 0.00 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3ihh h THR 47 CO 0.00 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.12 3ihh n GLY 48 N 0.50 -1.30 3.24 2.16 0.00 -1.26 -4.47 105.19 104.06 3ihh n GLY 48 Ca -0.04 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.08 0.96 -0.14 2.61 -4.23 -0.26 -2.12 115.64 109.37 3ihh s THR 49 Ca 0.00 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.42 3ihh s THR 49 Cb 0.00 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 3ihh s THR 49 CO 0.00 -0.67 0.12 -0.76 -0.54 0.00 0.00 174.62 172.77 3ihh s LEU 50 N -3.16 4.22 -0.02 4.79 1.43 -0.44 -1.71 118.68 123.78 3ihh s LEU 50 Ca 0.18 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3ihh s LEU 50 Cb 0.04 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3ihh s LEU 50 CO 0.01 0.33 0.06 -0.55 0.23 0.00 0.00 176.35 176.44 3ihh s SER 51 N -0.58 -0.04 -0.05 2.29 0.15 -0.17 -0.62 113.70 114.68 3ihh s SER 51 Ca 0.12 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.86 3ihh s SER 51 Cb -0.12 0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.33 3ihh s SER 51 CO 0.02 -0.06 -0.11 -0.69 1.20 0.00 0.00 173.24 173.60 3ihh s VAL 52 N -0.14 0.99 -0.24 4.45 1.01 0.17 -1.29 120.40 125.33 3ihh s VAL 52 Ca -0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 3ihh s VAL 52 Cb -0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3ihh s VAL 52 CO 0.00 0.31 0.39 0.12 0.00 0.00 0.00 175.10 175.92 3ihh s PHE 53 N 0.44 3.29 0.00 5.22 5.36 -1.26 -1.01 117.98 130.03 3ihh s PHE 53 Ca -0.09 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 3ihh s PHE 53 Cb -0.13 -2.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 3ihh s PHE 53 CO 0.02 -0.15 0.00 0.41 -1.46 0.00 0.00 175.22 174.04 3ihh n GLY 54 N 4.37 -2.22 3.25 13.12 0.00 0.26 -5.01 105.19 118.97 3ihh n GLY 54 Ca -0.08 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.57 1.09 -0.23 1.61 -1.94 -0.95 -4.99 119.30 112.31 3ihh s MET 55 Ca 0.00 -1.37 -0.18 0.00 -1.71 0.00 0.00 55.69 52.43 3ihh s MET 55 Cb 0.00 0.30 0.06 0.00 2.01 0.00 0.00 34.83 37.21 3ihh s MET 55 CO 0.00 -0.36 0.59 -1.14 -0.01 0.00 0.00 175.02 174.11 3ihh s GLN 56 N -4.04 0.66 0.05 2.03 0.74 -1.26 -1.56 119.66 116.28 3ihh s GLN 56 Ca 0.24 0.92 0.02 0.00 0.05 0.00 0.00 55.36 56.59 3ihh s GLN 56 Cb 0.06 0.24 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 3ihh s GLN 56 CO 0.03 -0.11 -0.06 0.00 -0.55 0.00 0.00 175.29 174.60 3ihh s ALA 57 N 0.81 0.59 -0.16 1.58 0.00 -0.20 -4.99 121.76 119.40 3ihh s ALA 57 Ca -0.04 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3ihh s ALA 57 Cb -0.05 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3ihh s ALA 57 CO -0.06 -0.11 -0.19 0.50 0.00 0.00 0.00 175.76 175.89 3ihh s ARG 58 N -2.25 2.81 -0.24 0.00 3.52 -1.26 -0.48 118.95 121.06 3ihh s ARG 58 Ca -0.05 -0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 54.74 3ihh s ARG 58 Cb -0.05 -2.38 -0.00 0.00 -1.56 0.00 0.00 34.95 30.95 3ihh s ARG 58 CO -0.02 -0.14 -0.02 0.71 -0.81 0.00 0.00 175.30 175.02 3ihh s TYR 59 N 1.15 3.01 0.21 5.12 2.02 0.14 -4.80 117.35 124.19 3ihh s TYR 59 Ca 0.00 -0.97 -0.30 0.00 -0.37 0.00 0.00 57.07 55.43 3ihh s TYR 59 Cb -0.14 -2.13 -0.09 0.00 -0.40 0.00 0.00 41.96 39.20 3ihh s TYR 59 CO -0.08 -0.56 1.28 0.45 -1.57 0.00 0.00 175.55 175.08 3ihh s SER 60 N 1.48 6.93 -0.07 2.29 0.15 -1.26 -0.54 113.70 122.67 3ihh s SER 60 Ca 0.05 2.38 0.18 0.00 0.70 0.00 0.00 55.95 59.26 3ihh s SER 60 Cb -0.15 -2.61 0.61 0.00 -1.71 0.00 0.00 66.02 62.16 3ihh s SER 60 CO -0.02 -0.49 1.52 0.18 1.20 0.00 0.00 173.24 175.63 3ihh n LEU 61 N 2.47 4.16 -4.46 3.45 4.77 0.79 -4.63 117.00 123.55 3ihh n LEU 61 Ca 0.05 -2.32 -0.43 0.00 -0.03 0.00 0.00 56.01 53.28 3ihh n LEU 61 Cb 0.43 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3ihh n LEU 61 CO 0.57 0.82 0.69 -0.13 -1.33 0.00 0.00 177.39 178.02 3ihh s ARG 62 N -1.60 3.16 -1.73 3.23 0.52 -1.25 -3.86 118.95 117.41 3ihh s ARG 62 Ca 0.44 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 3ihh s ARG 62 Cb 0.28 -4.18 0.00 0.00 0.52 0.00 0.00 34.95 31.57 3ihh s ARG 62 CO 0.23 -1.67 0.13 -3.47 0.02 0.00 0.00 175.30 170.54 3ihh n ASP 63 N 7.43 -5.96 -3.65 0.23 4.64 -1.26 -4.97 116.55 113.02 3ihh n ASP 63 Ca -0.03 -0.08 -0.02 0.00 -1.38 0.00 0.00 54.79 53.28 3ihh n ASP 63 Cb 0.46 -4.92 -0.01 0.00 -1.04 0.00 0.00 41.12 35.61 3ihh n ASP 63 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3ihh s GLU 64 N -5.18 0.72 -0.08 -0.67 -1.05 -1.25 -4.83 118.70 106.36 3ihh s GLU 64 Ca 0.06 -0.37 -0.00 0.00 -0.15 0.00 0.00 54.97 54.52 3ihh s GLU 64 Cb -0.03 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 3ihh s GLU 64 CO 0.08 -0.33 -0.05 0.12 0.95 0.00 0.00 175.26 176.04 3ihh s PHE 65 N -2.82 1.00 -1.11 4.83 5.36 0.25 -4.45 117.98 121.04 3ihh s PHE 65 Ca 0.12 -0.38 -0.07 0.00 -0.96 0.00 0.00 56.93 55.63 3ihh s PHE 65 Cb 0.01 -0.91 -0.06 0.00 -0.34 0.00 0.00 43.02 41.71 3ihh s PHE 65 CO -0.03 -0.34 2.34 -0.35 -1.46 0.00 0.00 175.22 175.39 3ihh n PRO 66 N 4.64 2.52 -2.85 10.12 -0.04 -1.26 -3.86 135.00 144.28 3ihh n PRO 66 Ca -0.15 -1.68 -0.42 0.00 -0.04 0.00 0.00 63.50 61.20 3ihh n PRO 66 Cb 0.50 -2.57 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 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 0.17 4.03 0.61 1.53 2.96 -1.26 -4.26 118.68 122.46 3ihh s LEU 67 Ca 0.48 0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 54.84 3ihh s LEU 67 Cb 0.12 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 3ihh s LEU 67 CO -0.04 -0.78 1.17 -0.76 -1.32 0.00 0.00 176.35 174.63 3ihh s LEU 68 N 3.30 3.58 -0.00 -0.68 1.43 -1.26 -4.68 118.68 120.37 3ihh s LEU 68 Ca 0.36 2.27 0.06 0.00 -1.03 0.00 0.00 54.13 55.79 3ihh s LEU 68 Cb -0.13 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 3ihh s LEU 68 CO 0.16 -1.61 0.23 0.35 0.23 0.00 0.00 176.35 175.71 3ihh n THR 69 N -1.84 0.00 0.49 5.49 -2.24 -1.26 -4.43 114.28 110.49 3ihh n THR 69 Ca 0.13 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 3ihh n THR 69 Cb 0.50 0.85 0.23 0.00 -2.10 0.00 0.00 70.33 69.82 3ihh n THR 69 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3ihh h THR 70 N 0.00 0.00 -2.35 4.28 1.35 -1.92 0.39 112.91 114.66 3ihh h THR 70 Ca 0.00 -0.61 -0.05 0.00 -0.55 0.00 0.00 66.41 65.20 3ihh h THR 70 Cb 0.17 1.38 -0.24 0.00 -1.73 0.00 0.00 68.15 67.73 3ihh h THR 70 CO 0.00 0.00 -0.16 -0.75 -0.25 0.00 0.00 175.52 174.36 3ihh s LYS 71 N -3.17 0.53 0.07 4.72 2.36 -1.26 -4.59 119.74 118.39 3ihh s LYS 71 Ca 0.07 1.00 -0.37 0.00 -2.55 0.00 0.00 55.97 54.12 3ihh s LYS 71 Cb 0.11 0.07 -0.18 0.00 -1.05 0.00 0.00 37.83 36.79 3ihh s LYS 71 CO 0.68 -0.16 1.26 0.54 1.55 0.00 0.00 175.35 179.22 3ihh n ARG 72 N 4.33 0.84 -3.96 4.03 1.74 -1.26 -4.72 116.66 117.66 3ihh n ARG 72 Ca -0.21 0.30 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 3ihh n ARG 72 Cb 0.57 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3ihh n ARG 72 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ihh s VAL 73 N 0.33 5.24 -1.30 1.55 1.01 -1.26 -5.01 120.40 120.96 3ihh s VAL 73 Ca 0.86 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 3ihh s VAL 73 Cb -1.03 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 3ihh s VAL 73 CO 0.50 0.42 2.11 0.33 0.00 0.00 0.00 175.10 178.46 3ihh n PHE 74 N 1.31 3.29 -0.36 5.22 7.35 -1.26 -4.77 117.46 128.23 3ihh n PHE 74 Ca -0.14 -2.69 -0.02 0.00 -0.76 0.00 0.00 57.45 53.84 3ihh n PHE 74 Cb 0.53 -2.40 0.11 0.00 0.35 0.00 0.00 39.48 38.07 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 6.63 1.21 -0.46 -5.13 2.91 -2.00 0.02 115.95 119.12 3ihh h TRP 75 Ca 0.52 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.66 3ihh h TRP 75 Cb 0.68 -0.41 -0.08 0.00 -0.51 0.00 0.00 29.16 28.84 3ihh h TRP 75 CO 1.41 0.75 -0.02 -0.22 -1.03 0.00 0.00 178.44 179.32 3ihh h LYS 76 N 1.30 0.09 -0.59 2.65 3.11 -2.01 -2.13 116.57 118.99 3ihh h LYS 76 Ca 0.36 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 58.14 3ihh h LYS 76 Cb -0.12 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.06 3ihh h LYS 76 CO -0.09 0.06 0.15 0.78 -2.81 0.00 0.00 179.45 177.54 3ihh h GLY 77 N 0.09 1.01 1.01 5.01 0.00 -1.41 -2.38 103.07 106.40 3ihh h GLY 77 Ca 0.23 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3ihh h GLY 77 CO -0.40 0.58 0.38 -0.24 0.00 0.00 0.00 176.54 176.86 3ihh h VAL 78 N 0.85 1.22 -0.14 4.60 3.04 -0.79 -0.87 116.25 124.16 3ihh h VAL 78 Ca 0.19 -0.57 -0.07 0.00 -1.01 0.00 0.00 66.70 65.24 3ihh h VAL 78 Cb 0.34 0.30 -0.00 0.00 -2.01 0.00 0.00 31.29 29.92 3ihh h VAL 78 CO 0.00 0.25 -0.18 0.25 -1.01 0.00 0.00 177.57 176.88 3ihh h LEU 79 N 0.98 0.40 -1.03 3.16 5.85 -1.27 -1.33 115.31 122.06 3ihh h LEU 79 Ca 0.25 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3ihh h LEU 79 Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3ihh h LEU 79 CO -0.04 0.83 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.27 3ihh h GLU 80 N -0.02 0.33 -0.29 1.25 4.39 -1.44 -0.86 114.58 117.94 3ihh h GLU 80 Ca 0.02 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3ihh h GLU 80 Cb 0.73 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3ihh h GLU 80 CO 0.04 0.60 0.04 1.49 -1.16 0.00 0.00 179.01 180.02 3ihh h GLU 81 N 0.29 0.49 -0.44 2.33 4.81 -1.10 -2.07 114.58 118.90 3ihh h GLU 81 Ca 0.04 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3ihh h GLU 81 Cb 0.67 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3ihh h GLU 81 CO 0.05 0.60 0.29 1.25 -0.73 0.00 0.00 179.01 180.47 3ihh h LEU 82 N 0.30 0.50 -1.29 1.64 5.85 -1.00 0.11 115.31 121.42 3ihh h LEU 82 Ca 0.09 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3ihh h LEU 82 Cb 0.36 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3ihh h LEU 82 CO 0.01 0.37 0.52 -0.07 -0.34 0.00 0.00 178.44 178.93 3ihh h LEU 83 N 0.59 0.74 -0.36 2.25 3.38 -1.16 -0.29 115.31 120.46 3ihh h LEU 83 Ca 0.16 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3ihh h LEU 83 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ihh h LEU 83 CO -0.03 0.47 -0.34 -0.25 0.09 0.00 0.00 178.44 178.38 3ihh h TRP 84 N 0.84 1.04 0.18 1.13 7.01 -0.67 -2.59 115.95 122.90 3ihh h TRP 84 Ca 0.35 -0.31 0.01 0.00 2.11 0.00 0.00 58.89 61.06 3ihh h TRP 84 Cb 0.28 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 3ihh h TRP 84 CO -0.00 1.11 -0.45 0.74 -2.79 0.00 0.00 178.44 177.04 3ihh h PHE 85 N 0.67 -1.28 -0.96 2.65 0.04 -0.37 -2.73 116.94 114.95 3ihh h PHE 85 Ca 0.06 0.03 0.14 0.00 2.80 0.00 0.00 57.97 61.00 3ihh h PHE 85 Cb 0.92 0.54 -0.08 0.00 2.20 0.00 0.00 35.95 39.53 3ihh h PHE 85 CO 0.07 -0.56 0.61 0.82 -0.60 0.00 0.00 178.31 178.65 3ihh h ILE 86 N -0.73 0.85 -0.26 -0.55 2.04 -0.96 -2.01 117.51 115.89 3ihh h ILE 86 Ca 0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3ihh h ILE 86 Cb 0.73 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3ihh h ILE 86 CO -0.22 0.15 0.00 2.29 0.00 0.00 0.00 178.15 180.37 3ihh n LYS 87 N -4.62 1.70 -0.56 2.37 2.85 -0.98 -4.86 118.16 114.05 3ihh n LYS 87 Ca 0.19 -1.07 0.00 0.00 -1.05 0.00 0.00 58.31 56.38 3ihh n LYS 87 Cb 0.44 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 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 1.02 0.68 3.82 2.58 0.00 -0.75 -5.03 105.19 107.51 3ihh n GLY 88 Ca 0.12 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.33 6.97 -0.03 1.61 0.15 -1.03 -4.14 113.70 114.90 3ihh s SER 89 Ca 0.00 1.42 0.05 0.00 0.70 0.00 0.00 55.95 58.11 3ihh s SER 89 Cb 0.00 -2.42 0.07 0.00 -1.71 0.00 0.00 66.02 61.96 3ihh s SER 89 CO 0.00 -0.08 1.02 0.35 1.20 0.00 0.00 173.24 175.73 3ihh n THR 90 N 0.24 0.46 -3.76 6.45 -2.24 -1.26 -4.15 114.28 110.02 3ihh n THR 90 Ca 0.01 -0.56 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 3ihh n THR 90 Cb 0.52 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.42 5.19 0.24 3.42 3.84 -1.26 -1.20 114.94 123.75 3ihh s ASN 91 Ca 0.08 -0.90 -0.07 0.00 0.21 0.00 0.00 52.86 52.18 3ihh s ASN 91 Cb 0.07 -1.87 0.23 0.00 -0.55 0.00 0.00 41.25 39.13 3ihh s ASN 91 CO 0.01 -0.25 1.90 0.00 -2.79 0.00 0.00 177.10 175.96 3ihh h ALA 92 N 8.22 1.20 -0.08 1.71 0.00 -0.32 -1.44 119.26 128.55 3ihh h ALA 92 Ca -0.28 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3ihh h ALA 92 Cb 1.11 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ihh h ALA 92 CO 0.60 0.64 0.08 0.87 0.00 0.00 0.00 179.25 181.44 3ihh h LYS 93 N 1.30 0.00 0.00 0.00 1.79 -1.88 -1.38 116.57 116.39 3ihh h LYS 93 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3ihh h LYS 93 Cb -0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3ihh h LYS 93 CO -0.07 0.00 -0.81 1.49 -1.08 0.00 0.00 179.45 178.98 3ihh h GLU 94 N 0.00 0.00 0.05 3.15 4.57 -1.63 0.95 114.58 121.66 3ihh h GLU 94 Ca 0.04 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.93 3ihh h GLU 94 Cb 0.20 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3ihh h GLU 94 CO -0.00 0.00 -1.55 1.25 -1.18 0.00 0.00 179.01 177.53 3ihh h LEU 95 N 0.00 0.15 -1.03 1.64 5.85 -1.43 -3.35 115.31 117.15 3ihh h LEU 95 Ca 0.00 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 3ihh h LEU 95 Cb 0.98 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3ihh h LEU 95 CO 0.00 1.22 -0.42 -1.28 -0.34 0.00 0.00 178.44 177.61 3ihh h SER 96 N 0.03 0.13 0.00 1.25 0.87 -0.75 -2.69 113.55 112.38 3ihh h SER 96 Ca -0.23 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3ihh h SER 96 Cb 1.97 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.89 3ihh h SER 96 CO 0.11 0.54 0.00 -1.20 -0.53 0.00 0.00 176.83 175.76 3ihh n SER 97 N -4.02 0.00 0.00 6.23 7.64 0.33 -0.87 113.62 122.93 3ihh n SER 97 Ca -0.02 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.28 3ihh n SER 97 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3ihh n SER 97 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ihh n LYS 98 N -0.53 0.48 0.00 1.43 5.02 -1.02 -5.03 118.16 118.52 3ihh n LYS 98 Ca 0.00 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 3ihh n LYS 98 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3ihh n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ihh n GLY 99 N -0.10 2.67 3.63 0.72 0.00 -0.05 -5.01 105.19 107.05 3ihh n GLY 99 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.28 3.71 -0.24 1.61 1.01 -1.22 -4.88 120.40 119.11 3ihh s VAL 100 Ca 0.00 0.80 0.14 0.00 0.00 0.00 0.00 61.98 62.92 3ihh s VAL 100 Cb 0.00 -3.71 0.81 0.00 0.00 0.00 0.00 36.38 33.48 3ihh s VAL 100 CO 0.00 -0.28 1.74 -1.14 0.00 0.00 0.00 175.10 175.42 3ihh n ARG 101 N 7.62 4.83 0.09 2.72 3.00 -1.26 -3.57 116.66 130.09 3ihh n ARG 101 Ca 0.19 -3.16 -0.03 0.00 -0.00 0.00 0.00 57.85 54.85 3ihh n ARG 101 Cb 0.45 -2.26 -0.06 0.00 0.00 0.00 0.00 32.46 30.60 3ihh n ARG 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 3ihh h ILE 102 N 3.89 1.28 -0.57 5.15 3.07 -1.94 -3.12 117.51 125.27 3ihh h ILE 102 Ca 0.00 -2.83 0.00 0.00 1.55 0.00 0.00 64.86 63.58 3ihh h ILE 102 Cb 1.97 2.63 0.00 0.00 -0.27 0.00 0.00 36.82 41.15 3ihh h ILE 102 CO 0.49 0.73 0.00 0.79 -1.05 0.00 0.00 178.15 179.11 3ihh n TRP 103 N -3.27 1.84 0.09 0.16 7.02 -1.26 -4.66 117.44 117.35 3ihh n TRP 103 Ca 0.00 -0.66 -0.11 0.00 -1.02 0.00 0.00 57.50 55.71 3ihh n TRP 103 Cb 0.85 -0.42 -0.08 0.00 -2.42 0.00 0.00 31.31 29.24 3ihh n TRP 103 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3ihh h ASP 104 N 3.86 -0.24 -0.11 -0.99 3.58 -1.84 -3.28 116.42 117.40 3ihh h ASP 104 Ca 0.00 -0.29 0.03 0.00 0.42 0.00 0.00 57.03 57.19 3ihh h ASP 104 Cb 1.77 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.88 3ihh h ASP 104 CO 0.40 0.25 0.15 0.00 -2.88 0.00 0.00 179.24 177.17 3ihh h ALA 105 N -0.31 1.58 0.00 -0.78 0.00 -1.83 -2.40 119.26 115.53 3ihh h ALA 105 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ihh h ALA 105 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ihh h ALA 105 CO 0.05 -0.21 -0.00 -0.91 0.00 0.00 0.00 179.25 178.18 3ihh h ASN 106 N 0.00 -0.01 0.06 0.00 4.21 -1.91 -3.35 115.58 114.58 3ihh h ASN 106 Ca 0.05 -0.77 0.00 0.00 1.21 0.00 0.00 56.30 56.79 3ihh h ASN 106 Cb 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 3ihh h ASN 106 CO -0.00 0.77 0.00 0.61 -1.29 0.00 0.00 177.43 177.52 3ihh n GLY 107 N 1.03 -0.57 3.77 2.83 0.00 -0.91 -4.15 105.19 107.19 3ihh n GLY 107 Ca -0.09 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3ihh n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ihh s SER 108 N -2.12 5.01 0.21 1.61 0.01 -1.23 0.17 113.70 117.36 3ihh s SER 108 Ca 0.23 1.94 -0.04 0.00 1.31 0.00 0.00 55.95 59.39 3ihh s SER 108 Cb 0.11 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.97 3ihh s SER 108 CO 0.20 -1.70 1.60 -0.09 0.41 0.00 0.00 173.24 173.66 3ihh h ARG 109 N -0.23 0.72 -0.67 12.44 9.65 -1.94 -2.55 114.38 131.80 3ihh h ARG 109 Ca -0.46 -0.33 -0.08 0.00 -1.10 0.00 0.00 59.98 58.01 3ihh h ARG 109 Cb 1.24 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 3ihh h ARG 109 CO 0.54 0.94 0.10 0.22 2.80 0.00 0.00 179.97 184.56 3ihh h ASP 110 N 0.61 1.08 0.72 -3.80 3.58 -1.94 -2.15 116.42 114.52 3ihh h ASP 110 Ca 0.07 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 3ihh h ASP 110 Cb 0.83 -0.29 0.01 0.00 1.72 0.00 0.00 39.33 41.60 3ihh h ASP 110 CO 0.07 1.07 -0.35 0.15 -2.88 0.00 0.00 179.24 177.30 3ihh h PHE 111 N 1.04 -0.90 -1.63 0.28 3.57 -1.82 -3.00 116.94 114.49 3ihh h PHE 111 Ca 0.20 -0.02 0.52 0.00 3.53 0.00 0.00 57.97 62.20 3ihh h PHE 111 Cb 0.46 0.30 -0.11 0.00 2.79 0.00 0.00 35.95 39.38 3ihh h PHE 111 CO 0.03 -0.56 1.11 -0.07 -2.23 0.00 0.00 178.31 176.60 3ihh h LEU 112 N -1.07 0.12 -0.45 0.59 -0.00 -1.47 -2.43 115.31 110.60 3ihh h LEU 112 Ca -0.10 0.09 -0.16 0.00 -0.00 0.00 0.00 57.88 57.71 3ihh h LEU 112 Cb 0.74 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 3ihh h LEU 112 CO 0.16 -0.15 -0.78 0.44 -0.00 0.00 0.00 178.44 178.12 3ihh h ASP 113 N 0.01 0.01 1.64 -0.43 3.45 -1.23 0.36 116.42 120.22 3ihh h ASP 113 Ca 0.90 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 58.36 3ihh h ASP 113 Cb 3.23 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.99 3ihh h ASP 113 CO -0.27 0.78 -0.04 0.28 -1.57 0.00 0.00 179.24 178.42 3ihh h SER 114 N 0.00 0.00 0.32 6.45 0.02 -1.46 -2.83 113.55 116.06 3ihh h SER 114 Ca -0.01 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 3ihh h SER 114 Cb 1.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 3ihh h SER 114 CO 0.10 0.00 -0.81 -0.07 -1.14 0.00 0.00 176.83 174.91 3ihh h LEU 115 N 0.00 0.47 0.00 5.07 3.38 -1.42 -3.48 115.31 119.33 3ihh h LEU 115 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3ihh h LEU 115 Cb 0.84 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ihh h LEU 115 CO 0.00 1.10 0.00 0.61 0.09 0.00 0.00 178.44 180.24 3ihh n GLY 116 N 0.71 1.21 3.56 0.83 0.00 0.11 -5.04 105.19 106.57 3ihh n GLY 116 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3ihh n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihh s PHE 117 N -2.00 2.44 -0.00 1.61 0.40 -0.17 -4.89 117.98 115.36 3ihh s PHE 117 Ca 0.00 -0.62 -0.00 0.00 -0.60 0.00 0.00 56.93 55.70 3ihh s PHE 117 Cb 0.00 -4.63 -0.00 0.00 0.51 0.00 0.00 43.02 38.90 3ihh s PHE 117 CO 0.00 -1.94 0.09 0.77 0.70 0.00 0.00 175.22 174.84 3ihh h SER 118 N 10.00 -0.01 -0.25 1.36 0.02 -1.95 -3.37 113.55 119.35 3ihh h SER 118 Ca 0.14 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3ihh h SER 118 Cb 1.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 3ihh h SER 118 CO 1.39 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 177.11 3ihh n ALA 119 N -2.04 3.11 -2.45 3.77 0.00 -1.26 -4.86 120.51 116.77 3ihh n ALA 119 Ca -0.00 -0.82 -0.38 0.00 0.00 0.00 0.00 53.44 52.24 3ihh n ALA 119 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 3ihh n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ihh s ARG 120 N -1.75 4.10 0.46 0.00 1.81 -1.26 -5.07 118.95 117.25 3ihh s ARG 120 Ca 0.23 0.55 -0.23 0.00 -1.72 0.00 0.00 55.73 54.56 3ihh s ARG 120 Cb 0.18 -3.27 -0.07 0.00 -0.45 0.00 0.00 34.95 31.34 3ihh s ARG 120 CO 0.07 0.58 1.14 -1.14 -0.68 0.00 0.00 175.30 175.27 3ihh s GLN 121 N -0.79 3.77 -0.15 3.54 0.74 -1.26 -4.97 119.66 120.53 3ihh s GLN 121 Ca 0.26 1.71 -0.39 0.00 0.05 0.00 0.00 55.36 56.99 3ihh s GLN 121 Cb -0.18 -2.37 -0.17 0.00 1.10 0.00 0.00 33.01 31.40 3ihh s GLN 121 CO 0.15 -0.53 1.56 0.39 -0.55 0.00 0.00 175.29 176.32 3ihh n GLU 122 N -0.53 1.02 0.00 1.67 1.02 -1.26 -2.05 120.64 120.50 3ihh n GLU 122 Ca 0.07 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3ihh n GLU 122 Cb 0.49 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3ihh n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ihh n GLY 123 N 3.47 2.22 3.66 0.62 0.00 0.46 -4.82 105.19 110.80 3ihh n GLY 123 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.41 6.92 0.05 1.61 -1.08 -0.87 0.43 116.67 122.32 3ihh s ASP 124 Ca 0.00 1.77 0.22 0.00 -0.52 0.00 0.00 52.55 54.02 3ihh s ASP 124 Cb 0.00 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.83 3ihh s ASP 124 CO 0.00 -0.77 0.87 0.18 0.52 0.00 0.00 175.17 175.97 3ihh n LEU 125 N 6.54 0.51 0.00 -1.34 4.77 -0.34 -4.76 117.00 122.38 3ihh n LEU 125 Ca 0.14 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3ihh n LEU 125 Cb 0.45 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3ihh n LEU 125 CO 0.57 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3ihh n GLY 126 N 1.31 -2.17 2.65 -0.72 0.00 -1.26 -0.54 105.19 104.46 3ihh n GLY 126 Ca -0.00 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.22 3.50 0.00 1.61 -0.04 -1.26 -4.85 135.00 133.73 3ihh n PRO 127 Ca 0.00 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 60.55 3ihh n PRO 127 Cb 0.00 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 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 3.80 0.00 -0.00 0.52 0.24 -1.26 -4.41 118.33 117.22 3ihh n VAL 128 Ca 0.56 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.73 3ihh n VAL 128 Cb 0.33 -0.60 -0.07 0.00 -1.47 0.00 0.00 33.84 32.04 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 0.00 -1.26 -0.82 6.34 -1.99 -1.90 -1.09 116.97 116.25 3ihh h TYR 129 Ca 0.00 0.05 0.20 0.00 2.00 0.00 0.00 58.73 60.98 3ihh h TYR 129 Cb 0.00 0.57 -0.13 0.00 2.00 0.00 0.00 36.73 39.17 3ihh h TYR 129 CO 0.00 -0.49 0.20 0.78 -0.00 0.00 0.00 178.16 178.65 3ihh h GLY 130 N -0.50 1.20 0.48 3.88 0.00 -1.75 0.49 103.07 106.87 3ihh h GLY 130 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3ihh h GLY 130 CO -0.40 -0.30 -0.05 -2.75 0.00 0.00 0.00 176.54 173.03 3ihh h PHE 131 N 0.23 -0.14 -0.58 5.60 3.57 -1.54 -2.66 116.94 121.41 3ihh h PHE 131 Ca 0.49 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 62.02 3ihh h PHE 131 Cb 0.94 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 3ihh h PHE 131 CO -0.28 0.31 0.35 1.96 -2.23 0.00 0.00 178.31 178.42 3ihh h GLN 132 N -0.67 0.66 -0.80 1.11 1.08 -0.51 0.31 115.11 116.29 3ihh h GLN 132 Ca -0.02 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 3ihh h GLN 132 Cb 0.52 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 3ihh h GLN 132 CO 0.03 0.44 0.53 -1.49 -0.95 0.00 0.00 178.83 177.38 3ihh h TRP 133 N 0.68 0.94 0.00 2.96 4.06 -0.08 -2.64 115.95 121.87 3ihh h TRP 133 Ca 0.24 0.02 -0.22 0.00 2.06 0.00 0.00 58.89 61.00 3ihh h TRP 133 Cb 0.05 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 27.86 3ihh h TRP 133 CO -0.06 0.54 -1.81 0.54 -3.56 0.00 0.00 178.44 174.08 3ihh n ARG 134 N -4.46 1.83 -2.73 0.49 3.00 -0.76 -0.77 116.66 113.26 3ihh n ARG 134 Ca 0.11 0.01 -0.10 0.00 -0.01 0.00 0.00 57.85 57.85 3ihh n ARG 134 Cb 0.13 -1.30 0.02 0.00 0.00 0.00 0.00 32.46 31.31 3ihh n ARG 134 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3ihh n HIS 135 N -2.51 1.03 -1.65 -1.55 -0.00 0.10 -2.91 115.22 107.74 3ihh n HIS 135 Ca -0.20 -2.94 -0.50 0.00 -0.00 0.00 0.00 57.72 54.08 3ihh n HIS 135 Cb 0.87 -0.38 -0.05 0.00 -0.00 0.00 0.00 29.99 30.42 3ihh n HIS 135 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3ihh n PHE 136 N -0.02 2.02 -0.74 4.41 -0.00 -0.29 -1.89 117.46 120.95 3ihh n PHE 136 Ca 0.12 0.37 0.00 0.00 -0.00 0.00 0.00 57.45 57.94 3ihh n PHE 136 Cb 0.80 -2.49 0.00 0.00 -0.00 0.00 0.00 39.48 37.79 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 3.37 0.56 3.93 7.13 0.00 -1.26 -0.55 105.19 118.37 3ihh n GLY 137 Ca 0.19 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 3ihh n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihh s ALA 138 N -2.00 3.72 -0.32 4.61 0.00 -0.79 -4.70 121.76 122.28 3ihh s ALA 138 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 3ihh s ALA 138 Cb 0.00 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 21.02 3ihh s ALA 138 CO 0.00 0.13 1.12 -2.00 0.00 0.00 0.00 175.76 175.01 3ihh s GLU 139 N -3.96 4.03 0.18 0.00 2.12 -1.26 -5.00 118.70 114.81 3ihh s GLU 139 Ca 0.40 1.09 -0.30 0.00 0.36 0.00 0.00 54.97 56.52 3ihh s GLU 139 Cb -0.10 -3.77 -0.08 0.00 0.26 0.00 0.00 34.13 30.44 3ihh s GLU 139 CO 0.33 -0.96 1.19 -0.47 -0.54 0.00 0.00 175.26 174.81 3ihh s TYR 140 N 3.81 3.44 0.00 5.30 5.04 -1.26 -4.97 117.35 128.72 3ihh s TYR 140 Ca 0.48 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 3ihh s TYR 140 Cb -0.13 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 38.77 3ihh s TYR 140 CO 0.17 -1.14 0.00 1.63 -1.34 0.00 0.00 175.55 174.87 3ihh n LYS 141 N 2.56 0.00 -4.60 4.97 5.02 -1.26 -5.11 118.16 119.73 3ihh n LYS 141 Ca 0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.05 3ihh n LYS 141 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.38 3ihh n LYS 141 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3ihh s ASP 142 N -0.03 3.26 0.20 4.39 1.47 -1.26 -5.05 116.67 119.65 3ihh s ASP 142 Ca 0.00 -1.73 -0.12 0.00 1.18 0.00 0.00 52.55 51.88 3ihh s ASP 142 Cb 0.00 0.64 0.12 0.00 -0.34 0.00 0.00 42.92 43.34 3ihh s ASP 142 CO 0.00 -0.98 1.86 0.00 0.68 0.00 0.00 175.17 176.73 3ihh h MET 143 N 1.59 0.87 -1.00 2.11 -0.00 -1.96 -3.09 114.93 113.46 3ihh h MET 143 Ca -0.36 -0.05 -0.22 0.00 -0.00 0.00 0.00 59.70 59.06 3ihh h MET 143 Cb 1.29 -0.20 -0.13 0.00 -0.00 0.00 0.00 31.60 32.56 3ihh h MET 143 CO 0.59 0.58 0.28 -0.25 -0.00 0.00 0.00 176.91 178.10 3ihh n ASP 144 N -4.63 3.31 -4.94 -0.10 8.00 -1.26 -4.82 116.55 112.12 3ihh n ASP 144 Ca 0.06 -2.68 -0.24 0.00 0.71 0.00 0.00 54.79 52.63 3ihh n ASP 144 Cb 0.02 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.46 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 0.01 6.33 -0.81 -2.24 0.01 -1.17 -5.07 113.70 110.77 3ihh s SER 145 Ca 0.24 0.40 -0.14 0.00 1.31 0.00 0.00 55.95 57.76 3ihh s SER 145 Cb 0.20 -2.01 0.21 0.00 0.21 0.00 0.00 66.02 64.64 3ihh s SER 145 CO 0.05 -0.20 0.76 -0.62 0.41 0.00 0.00 173.24 173.64 3ihh s ASP 146 N -3.77 6.72 -0.50 2.44 2.15 -1.26 -4.91 116.67 117.54 3ihh s ASP 146 Ca 0.39 -2.62 -0.02 0.00 0.43 0.00 0.00 52.55 50.73 3ihh s ASP 146 Cb -0.10 -2.21 0.28 0.00 -0.30 0.00 0.00 42.92 40.59 3ihh s ASP 146 CO 0.33 -0.60 2.14 -1.22 -0.17 0.00 0.00 175.17 175.65 3ihh n TYR 147 N 4.12 2.24 -2.14 -5.34 4.01 -1.26 -4.96 117.16 113.82 3ihh n TYR 147 Ca 0.12 -2.35 -0.42 0.00 -0.16 0.00 0.00 57.90 55.09 3ihh n TYR 147 Cb 0.47 -1.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.26 3ihh n TYR 147 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3ihh s SER 148 N -0.57 6.77 0.00 7.72 0.01 -1.26 -2.82 113.70 123.56 3ihh s SER 148 Ca 0.48 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.92 3ihh s SER 148 Cb 0.37 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3ihh s SER 148 CO -0.08 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.39 3ihh n GLY 149 N 3.81 0.53 3.90 3.44 0.00 -1.26 -5.03 105.19 110.57 3ihh n GLY 149 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.25 3.43 0.38 1.61 -0.21 -1.13 -5.00 119.66 118.50 3ihh s GLN 150 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3ihh s GLN 150 Cb 0.00 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.91 3ihh s GLN 150 CO 0.00 0.68 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 3ihh n GLY 151 N 1.04 -1.96 3.67 3.09 0.00 -1.26 -4.29 105.19 105.48 3ihh n GLY 151 Ca -0.12 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.56 5.05 -1.02 1.61 1.01 0.29 -4.69 120.40 121.08 3ihh s VAL 152 Ca 0.00 1.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 3ihh s VAL 152 Cb 0.00 -3.92 0.12 0.00 0.00 0.00 0.00 36.38 32.58 3ihh s VAL 152 CO 0.00 0.15 1.28 -0.62 0.00 0.00 0.00 175.10 175.91 3ihh s ASP 153 N 1.12 6.69 0.24 3.32 -1.08 -1.14 -1.13 116.67 124.69 3ihh s ASP 153 Ca 0.28 -2.11 -0.01 0.00 -0.52 0.00 0.00 52.55 50.19 3ihh s ASP 153 Cb -0.16 -2.44 0.29 0.00 -1.46 0.00 0.00 42.92 39.15 3ihh s ASP 153 CO 0.11 -1.10 1.66 1.56 0.52 0.00 0.00 175.17 177.91 3ihh h GLN 154 N 8.66 0.58 0.18 4.34 4.20 -1.17 -1.83 115.11 130.08 3ihh h GLN 154 Ca 0.21 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3ihh h GLN 154 Cb 0.99 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3ihh h GLN 154 CO 1.21 0.81 -0.09 1.25 -0.67 0.00 0.00 178.83 181.35 3ihh h LEU 155 N 0.50 -0.21 -1.09 1.46 5.85 -1.86 -0.33 115.31 119.64 3ihh h LEU 155 Ca 0.06 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3ihh h LEU 155 Cb 0.76 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3ihh h LEU 155 CO 0.06 -0.05 -0.08 -0.61 -0.34 0.00 0.00 178.44 177.42 3ihh h GLN 156 N -0.36 0.55 -0.57 1.25 5.75 -1.87 -2.26 115.11 117.61 3ihh h GLN 156 Ca -0.03 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 3ihh h GLN 156 Cb 0.28 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3ihh h GLN 156 CO 0.04 0.64 0.32 -0.22 -2.65 0.00 0.00 178.83 176.96 3ihh h LYS 157 N 0.52 0.80 -0.35 1.69 3.11 -1.13 -1.61 116.57 119.59 3ihh h LYS 157 Ca 0.10 -0.09 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 3ihh h LYS 157 Cb 0.45 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 3ihh h LYS 157 CO 0.02 0.60 -0.07 -0.39 -2.81 0.00 0.00 179.45 176.81 3ihh h VAL 158 N 0.78 1.28 -0.38 2.00 -1.51 -0.75 -2.09 116.25 115.57 3ihh h VAL 158 Ca 0.20 -1.12 0.05 0.00 -1.23 0.00 0.00 66.70 64.60 3ihh h VAL 158 Cb 0.03 1.29 -0.05 0.00 -2.13 0.00 0.00 31.29 30.43 3ihh h VAL 158 CO -0.03 0.37 0.10 0.40 -1.23 0.00 0.00 177.57 177.17 3ihh h ILE 159 N 0.46 0.84 -0.01 7.19 2.04 -1.28 0.05 117.51 126.80 3ihh h ILE 159 Ca 0.09 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 3ihh h ILE 159 Cb 0.57 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3ihh h ILE 159 CO 0.03 0.04 -0.41 0.44 0.00 0.00 0.00 178.15 178.25 3ihh h ASP 160 N 0.23 0.01 0.35 1.72 3.32 -1.18 -1.96 116.42 118.92 3ihh h ASP 160 Ca 0.18 -0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.96 3ihh h ASP 160 Cb 0.19 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3ihh h ASP 160 CO -0.22 0.42 -1.15 0.74 -1.72 0.00 0.00 179.24 177.32 3ihh h THR 161 N 0.01 1.39 -0.52 0.35 2.02 -1.05 -1.81 112.91 113.30 3ihh h THR 161 Ca -0.00 -2.64 0.07 0.00 0.77 0.00 0.00 66.41 64.61 3ihh h THR 161 Cb 0.73 2.68 -0.06 0.00 -1.74 0.00 0.00 68.15 69.77 3ihh h THR 161 CO 0.05 0.79 0.20 0.40 0.37 0.00 0.00 175.52 177.33 3ihh h ILE 162 N 0.20 0.84 -0.32 3.11 2.04 -0.56 0.78 117.51 123.60 3ihh h ILE 162 Ca -0.14 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.41 3ihh h ILE 162 Cb 1.82 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3ihh h ILE 162 CO 0.20 0.07 -0.50 0.11 0.00 0.00 0.00 178.15 178.04 3ihh h LYS 163 N 0.39 0.90 0.00 2.37 1.57 -1.34 -3.11 116.57 117.35 3ihh h LYS 163 Ca 0.25 -0.54 -0.35 0.00 -1.87 0.00 0.00 60.65 58.14 3ihh h LYS 163 Cb 0.25 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 3ihh h LYS 163 CO -0.24 1.18 -2.19 0.25 -0.57 0.00 0.00 179.45 177.88 3ihh n THR 164 N -4.02 1.46 -2.99 -0.16 -2.24 -0.68 -4.72 114.28 100.93 3ihh n THR 164 Ca -0.04 -0.83 -0.17 0.00 -2.27 0.00 0.00 64.05 60.75 3ihh n THR 164 Cb 0.60 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.86 -1.16 0.24 3.42 2.85 0.25 -5.00 115.26 113.00 3ihh n ASN 165 Ca -0.29 -3.00 0.18 0.00 -0.11 0.00 0.00 54.58 51.36 3ihh n ASN 165 Cb 1.12 0.48 0.88 0.00 1.24 0.00 0.00 39.78 43.51 3ihh n ASN 165 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ihh h PRO 166 N 3.92 0.00 0.00 1.20 0.13 -1.44 -1.54 132.00 134.27 3ihh h PRO 166 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ihh h PRO 166 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ihh h PRO 166 CO 0.40 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.92 3ihh n ASP 167 N -3.57 0.00 -4.77 1.44 8.00 -1.26 -3.92 116.55 112.47 3ihh n ASP 167 Ca 0.00 0.30 -0.40 0.00 0.71 0.00 0.00 54.79 55.40 3ihh n ASP 167 Cb 0.30 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 40.98 3ihh n ASP 167 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ihh s ASP 168 N -2.84 6.10 -0.12 -2.24 2.15 -0.58 -4.92 116.67 114.22 3ihh s ASP 168 Ca 0.15 2.99 0.17 0.00 0.43 0.00 0.00 52.55 56.29 3ihh s ASP 168 Cb 0.15 -2.66 0.66 0.00 -0.30 0.00 0.00 42.92 40.77 3ihh s ASP 168 CO 0.39 -1.03 1.57 0.54 -0.17 0.00 0.00 175.17 176.47 3ihh n ARG 169 N 0.12 3.62 -0.39 4.34 1.74 -1.26 -4.33 116.66 120.50 3ihh n ARG 169 Ca 0.03 -2.81 0.08 0.00 -0.77 0.00 0.00 57.85 54.37 3ihh n ARG 169 Cb 0.41 -1.84 0.17 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.81 1.35 -2.64 5.56 3.00 -1.26 -4.97 116.66 118.50 3ihh n ARG 170 Ca 0.24 -2.87 -0.42 0.00 -0.01 0.00 0.00 57.85 54.79 3ihh n ARG 170 Cb 0.86 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 31.82 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 -2.87 4.14 0.00 0.55 1.01 -1.26 -4.92 121.20 117.84 3ihh s ILE 171 Ca 0.34 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3ihh s ILE 171 Cb 0.32 -5.02 -0.01 0.00 0.01 0.00 0.00 42.46 37.76 3ihh s ILE 171 CO -0.03 -1.86 -0.10 -0.63 0.00 0.00 0.00 174.94 172.32 3ihh s ILE 172 N 4.33 0.75 -0.15 2.92 1.01 -1.26 -1.05 121.20 127.75 3ihh s ILE 172 Ca 0.45 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3ihh s ILE 172 Cb -0.00 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.84 3ihh s ILE 172 CO -0.07 0.14 -0.13 -0.32 0.00 0.00 0.00 174.94 174.55 3ihh s MET 173 N -0.42 2.22 -0.17 2.79 -2.45 -0.65 -4.89 119.30 115.73 3ihh s MET 173 Ca 0.02 -0.57 0.01 0.00 -1.25 0.00 0.00 55.69 53.91 3ihh s MET 173 Cb -0.04 -2.11 0.01 0.00 1.25 0.00 0.00 34.83 33.94 3ihh s MET 173 CO -0.00 -0.26 -0.19 0.00 1.05 0.00 0.00 175.02 175.62 3ihh n ALA 175 N 4.39 3.94 -2.32 0.00 0.00 -0.63 -4.68 120.51 121.20 3ihh n ALA 175 Ca -0.20 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.34 3ihh n ALA 175 Cb 0.51 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.71 2.36 -0.38 0.00 -0.11 -1.02 -4.85 118.94 112.23 3ihh s TRP 176 Ca 0.04 0.68 0.01 0.00 1.22 0.00 0.00 56.10 58.06 3ihh s TRP 176 Cb 0.13 -4.24 0.12 0.00 -1.50 0.00 0.00 33.47 27.97 3ihh s TRP 176 CO 0.70 -2.08 0.16 1.21 -4.62 0.00 0.00 176.95 172.33 3ihh s ASN 177 N 4.02 3.96 0.51 5.86 3.84 -1.26 -5.01 114.94 126.86 3ihh s ASN 177 Ca 0.63 -2.18 0.29 0.00 0.21 0.00 0.00 52.86 51.81 3ihh s ASN 177 Cb -0.15 -1.06 1.40 0.00 -0.55 0.00 0.00 41.25 40.89 3ihh s ASN 177 CO 0.32 -0.34 1.86 -0.65 -2.79 0.00 0.00 177.10 175.50 3ihh h PRO 178 N 7.38 0.09 -0.26 0.43 0.11 -2.01 -0.96 132.00 136.78 3ihh h PRO 178 Ca -0.07 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 3ihh h PRO 178 Cb 0.97 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3ihh h PRO 178 CO 0.49 0.06 -0.48 -0.22 -0.21 0.00 0.00 178.00 177.63 3ihh h LYS 179 N 0.09 0.78 0.00 1.05 3.64 -2.02 -3.32 116.57 116.79 3ihh h LYS 179 Ca 0.47 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ihh h LYS 179 Cb 1.69 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 3ihh h LYS 179 CO -0.06 1.13 -0.54 -0.44 -2.27 0.00 0.00 179.45 177.27 3ihh h ASP 180 N 0.53 0.00 -0.86 4.20 3.32 -1.64 -3.39 116.42 118.58 3ihh h ASP 180 Ca 0.01 -0.13 0.22 0.00 0.02 0.00 0.00 57.03 57.15 3ihh h ASP 180 Cb 1.09 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 3ihh h ASP 180 CO 0.11 0.06 0.04 -0.07 -1.72 0.00 0.00 179.24 177.66 3ihh h LEU 181 N 0.00 -0.36 -2.05 1.55 4.07 -1.37 -1.85 115.31 115.30 3ihh h LEU 181 Ca 0.00 0.23 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 3ihh h LEU 181 Cb 0.81 0.39 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 3ihh h LEU 181 CO 0.00 -0.24 -0.02 -0.65 -1.08 0.00 0.00 178.44 176.45 3ihh h PRO 182 N 0.09 0.00 0.07 1.13 0.11 -1.83 -2.72 132.00 128.84 3ihh h PRO 182 Ca 0.50 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.30 3ihh h PRO 182 Cb 0.96 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3ihh h PRO 182 CO -0.76 0.02 -1.71 -0.07 -0.21 0.00 0.00 178.00 175.27 3ihh h LEU 183 N 0.00 0.23-10.08 2.35 3.38 -1.65 -3.47 115.31 106.06 3ihh h LEU 183 Ca -0.00 -0.43 -0.56 0.00 0.09 0.00 0.00 57.88 56.98 3ihh h LEU 183 Cb 0.31 -0.07 0.16 0.00 0.09 0.00 0.00 40.66 41.15 3ihh h LEU 183 CO 0.00 1.37 0.51 0.23 0.09 0.00 0.00 178.44 180.64 3ihh n MET 184 N -3.30 1.19 -0.23 1.13 2.81 -1.03 -4.48 117.12 113.22 3ihh n MET 184 Ca -0.20 0.46 -0.08 0.00 -1.81 0.00 0.00 57.70 56.07 3ihh n MET 184 Cb 1.04 -2.52 0.03 0.00 -0.71 0.00 0.00 33.22 31.07 3ihh n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ihh h ALA 185 N 0.66 0.83 -3.62 3.04 0.00 -1.13 -3.45 119.26 115.59 3ihh h ALA 185 Ca -0.51 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 53.95 3ihh h ALA 185 Cb 1.34 -0.24 -0.29 0.00 0.00 0.00 0.00 17.79 18.59 3ihh h ALA 185 CO 0.53 0.50 -0.70 -0.51 0.00 0.00 0.00 179.25 179.08 3ihh s LEU 186 N -9.64 1.67 0.25 0.00 1.02 -1.26 -5.10 118.68 105.61 3ihh s LEU 186 Ca -0.13 0.06 -0.31 0.00 0.02 0.00 0.00 54.13 53.78 3ihh s LEU 186 Cb 0.13 0.06 -0.11 0.00 0.02 0.00 0.00 46.19 46.29 3ihh s LEU 186 CO 0.82 -0.04 1.59 -2.84 0.02 0.00 0.00 176.35 175.89 3ihh s PRO 187 N 0.31 4.16 0.18 1.29 0.02 -1.26 -4.92 135.00 134.78 3ihh s PRO 187 Ca -0.02 2.50 -0.32 0.00 0.02 0.00 0.00 61.00 63.18 3ihh s PRO 187 Cb -0.04 -3.07 -0.12 0.00 0.02 0.00 0.00 34.50 31.30 3ihh s PRO 187 CO -0.01 -0.61 1.76 -2.30 -0.33 0.00 0.00 177.00 175.51 3ihh n PRO 188 N 2.84 2.78 0.14 5.54 -0.02 -1.26 -4.87 135.00 140.14 3ihh n PRO 188 Ca 0.10 1.00 0.02 0.00 -2.02 0.00 0.00 63.50 62.60 3ihh n PRO 188 Cb 0.38 -2.87 0.10 0.00 -0.02 0.00 0.00 33.50 31.09 3ihh n PRO 188 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ihh s HIS 190 N -3.13 3.88 0.19 0.00 3.76 -1.26 -0.46 115.29 118.27 3ihh s HIS 190 Ca 0.02 -2.57 0.03 0.00 -0.15 0.00 0.00 55.06 52.39 3ihh s HIS 190 Cb 0.09 -3.58 0.09 0.00 1.11 0.00 0.00 32.58 30.29 3ihh s HIS 190 CO 0.74 -0.89 1.45 0.00 -0.85 0.00 0.00 174.74 175.18 3ihh h ALA 191 N 6.90 0.64 -2.13 -1.40 0.00 -1.51 -3.41 119.26 118.35 3ihh h ALA 191 Ca 0.12 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 3ihh h ALA 191 Cb 0.92 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.44 3ihh h ALA 191 CO 0.84 0.84 0.07 -1.17 0.00 0.00 0.00 179.25 179.84 3ihh s LEU 192 N -7.65 -0.36 0.04 0.00 0.20 -1.20 -1.61 118.68 108.10 3ihh s LEU 192 Ca -0.03 0.77 -0.00 0.00 0.69 0.00 0.00 54.13 55.55 3ihh s LEU 192 Cb 0.11 2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 48.08 3ihh s LEU 192 CO 0.82 -0.48 -0.03 0.00 -0.29 0.00 0.00 176.35 176.36 3ihh s GLN 194 N -2.86 0.57 0.26 0.00 0.74 -0.26 -1.63 119.66 116.48 3ihh s GLN 194 Ca -0.02 -0.37 0.08 0.00 0.05 0.00 0.00 55.36 55.09 3ihh s GLN 194 Cb 0.00 -0.52 -0.04 0.00 1.10 0.00 0.00 33.01 33.56 3ihh s GLN 194 CO -0.06 0.13 0.14 -0.06 -0.55 0.00 0.00 175.29 174.90 3ihh s PHE 195 N -0.43 2.98 -0.17 1.67 0.08 -0.21 -0.55 117.98 121.35 3ihh s PHE 195 Ca 0.00 -0.15 -0.18 0.00 0.12 0.00 0.00 56.93 56.72 3ihh s PHE 195 Cb -0.04 -1.36 0.05 0.00 -0.57 0.00 0.00 43.02 41.10 3ihh s PHE 195 CO -0.00 0.54 0.50 -0.47 -0.10 0.00 0.00 175.22 175.69 3ihh s TYR 196 N -2.20 -0.53 -0.06 0.36 6.14 -0.46 -4.61 117.35 115.99 3ihh s TYR 196 Ca 0.33 1.25 0.04 0.00 0.64 0.00 0.00 57.07 59.33 3ihh s TYR 196 Cb -0.07 0.19 0.00 0.00 0.42 0.00 0.00 41.96 42.51 3ihh s TYR 196 CO 0.23 -0.30 -0.17 0.08 0.64 0.00 0.00 175.55 176.04 3ihh s VAL 197 N 0.05 1.44 -0.06 3.14 1.01 -1.25 -0.61 120.40 124.12 3ihh s VAL 197 Ca -0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3ihh s VAL 197 Cb -0.03 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.12 3ihh s VAL 197 CO 0.02 0.42 0.37 0.54 0.00 0.00 0.00 175.10 176.44 3ihh s VAL 198 N 0.31 0.03 -1.39 2.92 0.11 -1.06 -4.76 120.40 116.56 3ihh s VAL 198 Ca -0.10 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3ihh s VAL 198 Cb -0.14 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3ihh s VAL 198 CO 0.04 -0.16 0.00 0.59 -3.33 0.00 0.00 175.10 172.24 3ihh n ASN 199 N 1.73 -4.44 -0.07 3.54 3.02 -1.26 -0.95 115.26 116.83 3ihh n ASN 199 Ca -0.19 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3ihh n ASN 199 Cb 0.56 -3.82 -0.00 0.00 -0.61 0.00 0.00 39.78 35.91 3ihh n ASN 199 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihh n GLY 200 N -0.72 0.49 3.51 7.41 0.00 -1.26 -5.01 105.19 109.61 3ihh n GLY 200 Ca -0.17 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.11 2.72 -0.26 1.61 2.02 -0.12 -1.73 118.70 121.83 3ihh s GLU 201 Ca 0.00 -0.63 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 3ihh s GLU 201 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 3ihh s GLU 201 CO 0.00 0.59 0.22 -1.17 0.02 0.00 0.00 175.26 174.92 3ihh s LEU 202 N -0.63 4.05 0.14 1.80 2.96 1.00 -2.57 118.68 125.43 3ihh s LEU 202 Ca 0.09 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 3ihh s LEU 202 Cb -0.11 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3ihh s LEU 202 CO 0.01 -0.04 0.04 -0.44 -1.32 0.00 0.00 176.35 174.60 3ihh s SER 203 N 1.53 5.06 -0.00 3.68 0.01 0.21 -0.25 113.70 123.95 3ihh s SER 203 Ca 0.09 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3ihh s SER 203 Cb -0.15 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 3ihh s SER 203 CO 0.09 0.11 -0.09 0.00 0.41 0.00 0.00 173.24 173.77 3ihh s GLN 205 N -0.24 2.58 -0.19 0.00 0.74 0.29 -0.19 119.66 122.64 3ihh s GLN 205 Ca 0.03 -0.85 -0.06 0.00 0.05 0.00 0.00 55.36 54.53 3ihh s GLN 205 Cb -0.03 -2.11 -0.03 0.00 1.10 0.00 0.00 33.01 31.93 3ihh s GLN 205 CO -0.00 0.30 0.03 -1.17 -0.55 0.00 0.00 175.29 173.90 3ihh s LEU 206 N 0.01 3.50 -0.49 3.68 2.96 -0.21 -1.11 118.68 127.02 3ihh s LEU 206 Ca -0.08 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 3ihh s LEU 206 Cb -0.15 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.70 3ihh s LEU 206 CO 0.05 0.12 0.67 -0.47 -1.32 0.00 0.00 176.35 175.40 3ihh s TYR 207 N 0.71 3.02 -0.30 5.38 5.04 -0.30 -1.12 117.35 129.78 3ihh s TYR 207 Ca 0.01 -0.31 -0.07 0.00 -2.44 0.00 0.00 57.07 54.26 3ihh s TYR 207 Cb -0.14 -3.54 0.01 0.00 0.35 0.00 0.00 41.96 38.65 3ihh s TYR 207 CO 0.02 -1.02 0.08 -1.14 -1.34 0.00 0.00 175.55 172.15 3ihh s GLN 208 N 2.87 3.06 0.54 4.97 0.74 -0.11 -1.58 119.66 130.14 3ihh s GLN 208 Ca 0.19 -0.88 0.35 0.00 0.05 0.00 0.00 55.36 55.08 3ihh s GLN 208 Cb -0.17 -3.38 1.60 0.00 1.10 0.00 0.00 33.01 32.16 3ihh s GLN 208 CO 0.15 -0.46 2.04 0.07 -0.55 0.00 0.00 175.29 176.54 3ihh h ARG 209 N 8.23 0.00 -1.87 1.67 0.11 -1.06 0.14 114.38 121.61 3ihh h ARG 209 Ca -0.31 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.82 3ihh h ARG 209 Cb 1.12 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 31.98 3ihh h ARG 209 CO 0.60 0.00 0.13 0.45 0.10 0.00 0.00 179.97 181.25 3ihh s SER 210 N -5.30 -0.82 -0.20 0.08 0.15 -1.26 -1.56 113.70 104.80 3ihh s SER 210 Ca -0.00 1.31 -0.04 0.00 0.70 0.00 0.00 55.95 57.92 3ihh s SER 210 Cb 0.10 1.34 0.08 0.00 -1.71 0.00 0.00 66.02 65.82 3ihh s SER 210 CO 0.47 -0.21 0.15 -0.83 1.20 0.00 0.00 173.24 174.02 3ihh s GLY 211 N 1.51 0.23 -0.56 9.45 0.00 -0.14 -4.95 107.32 112.86 3ihh s GLY 211 Ca -0.09 -0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.14 3ihh s GLY 211 CO -0.18 1.97 1.13 -0.35 0.00 0.00 0.00 173.10 175.66 3ihh s ASP 212 N 2.21 6.45 0.33 1.64 -1.08 -1.26 -0.91 116.67 124.05 3ihh s ASP 212 Ca 0.05 0.05 0.11 0.00 -0.52 0.00 0.00 52.55 52.24 3ihh s ASP 212 Cb -0.16 -2.53 0.56 0.00 -1.46 0.00 0.00 42.92 39.34 3ihh s ASP 212 CO -0.15 -1.39 1.74 0.24 0.52 0.00 0.00 175.17 176.13 3ihh h MET 213 N 9.45 0.06 0.08 4.34 2.86 -1.67 0.10 114.93 130.16 3ihh h MET 213 Ca -0.25 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.19 3ihh h MET 213 Cb 1.06 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3ihh h MET 213 CO 1.15 0.49 -0.86 0.78 1.06 0.00 0.00 176.91 179.54 3ihh h GLY 214 N 1.33 0.20 0.00 8.32 0.00 -1.90 -3.38 103.07 107.63 3ihh h GLY 214 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 3ihh h GLY 214 CO 0.06 0.46 -1.61 1.04 0.00 0.00 0.00 176.54 176.49 3ihh n LEU 215 N -4.21 0.00 -0.13 3.11 4.77 -1.23 -4.82 117.00 114.49 3ihh n LEU 215 Ca -0.18 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.56 3ihh n LEU 215 Cb 0.75 0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.84 3ihh n LEU 215 CO 0.39 0.10 -1.35 0.61 -1.33 0.00 0.00 177.39 175.81 3ihh n GLY 216 N 2.03 -0.38 0.11 -0.72 0.00 -0.20 -4.72 105.19 101.30 3ihh n GLY 216 Ca -0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3ihh n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ihh h VAL 217 N -0.52 1.07 -0.96 1.61 2.07 -1.06 -1.68 116.25 116.78 3ihh h VAL 217 Ca -0.61 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 66.84 3ihh h VAL 217 Cb 1.70 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 3ihh h VAL 217 CO -0.26 0.07 0.62 -0.65 0.02 0.00 0.00 177.57 177.36 3ihh h PRO 218 N 0.23 0.99 -0.77 1.57 0.11 -1.84 -0.61 132.00 131.69 3ihh h PRO 218 Ca 0.07 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.13 3ihh h PRO 218 Cb 0.01 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 30.85 3ihh h PRO 218 CO -0.01 0.66 0.51 0.35 -0.21 0.00 0.00 178.00 179.29 3ihh h PHE 219 N 1.02 0.96 -0.42 0.65 3.04 -1.67 -2.80 116.94 117.73 3ihh h PHE 219 Ca 0.44 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.28 3ihh h PHE 219 Cb 0.33 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 3ihh h PHE 219 CO -0.00 0.60 -0.26 -0.91 -2.02 0.00 0.00 178.31 175.72 3ihh h ASN 220 N 1.04 0.90 0.26 0.41 -0.26 -0.28 -1.97 115.58 115.68 3ihh h ASN 220 Ca 0.28 -0.35 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 3ihh h ASN 220 Cb -0.11 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 36.90 3ihh h ASN 220 CO -0.06 1.11 -0.13 0.40 -1.06 0.00 0.00 177.43 177.68 3ihh h ILE 221 N 0.75 0.73 -0.58 2.81 2.04 -1.10 -2.01 117.51 120.16 3ihh h ILE 221 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 3ihh h ILE 221 Cb 0.81 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3ihh h ILE 221 CO 0.07 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.47 3ihh h ALA 222 N 0.38 0.74 0.02 1.87 0.00 -1.37 -0.87 119.26 120.05 3ihh h ALA 222 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ihh h ALA 222 Cb 0.28 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3ihh h ALA 222 CO 0.05 -0.14 -0.32 0.77 0.00 0.00 0.00 179.25 179.61 3ihh h SER 223 N 0.46 -0.95 0.47 0.00 0.02 -1.12 0.28 113.55 112.71 3ihh h SER 223 Ca 0.28 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 61.21 3ihh h SER 223 Cb 0.28 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3ihh h SER 223 CO -0.24 -0.39 -0.61 1.88 -1.14 0.00 0.00 176.83 176.33 3ihh h TYR 224 N -0.48 0.18 -0.38 3.45 -1.99 -1.15 0.22 116.97 116.82 3ihh h TYR 224 Ca 0.06 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 3ihh h TYR 224 Cb 0.56 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 3ihh h TYR 224 CO -0.33 0.72 0.19 0.00 -0.00 0.00 0.00 178.16 178.73 3ihh h ALA 225 N 1.27 0.48 0.03 3.88 0.00 -0.94 -1.99 119.26 121.99 3ihh h ALA 225 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ihh h ALA 225 Cb 1.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3ihh h ALA 225 CO 0.09 0.04 -0.13 1.25 0.00 0.00 0.00 179.25 180.49 3ihh h LEU 226 N 0.47 -0.38 -0.85 0.00 5.85 -0.19 -1.09 115.31 119.12 3ihh h LEU 226 Ca 0.13 0.05 0.16 0.00 0.84 0.00 0.00 57.88 59.07 3ihh h LEU 226 Cb 0.11 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 3ihh h LEU 226 CO -0.02 -0.19 0.41 0.25 -0.34 0.00 0.00 178.44 178.55 3ihh h LEU 227 N -0.24 0.45 -0.40 2.25 5.85 -0.85 -0.85 115.31 121.51 3ihh h LEU 227 Ca 0.04 0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 3ihh h LEU 227 Cb 0.28 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3ihh h LEU 227 CO -0.11 0.15 -0.26 0.74 -0.34 0.00 0.00 178.44 178.62 3ihh h THR 228 N 0.54 1.28 -0.47 1.05 2.02 -0.99 -0.99 112.91 115.35 3ihh h THR 228 Ca 0.48 -1.42 0.05 0.00 0.77 0.00 0.00 66.41 66.29 3ihh h THR 228 Cb 0.75 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3ihh h THR 228 CO -0.41 0.48 0.21 1.88 0.37 0.00 0.00 175.52 178.05 3ihh h TYR 229 N 0.70 0.39 -0.00 3.16 -1.99 -0.36 0.29 116.97 119.16 3ihh h TYR 229 Ca 0.08 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3ihh h TYR 229 Cb 0.84 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.46 3ihh h TYR 229 CO 0.06 0.18 0.00 0.52 -0.00 0.00 0.00 178.16 178.92 3ihh h MET 230 N 0.42 0.00 -0.52 4.88 2.86 -1.01 -1.04 114.93 120.53 3ihh h MET 230 Ca 0.21 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 3ihh h MET 230 Cb 0.15 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3ihh h MET 230 CO -0.17 0.00 -0.11 0.82 1.06 0.00 0.00 176.91 178.51 3ihh h ILE 231 N 0.00 1.27 -0.94 -1.22 2.04 -0.93 -1.60 117.51 116.12 3ihh h ILE 231 Ca 0.00 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.67 3ihh h ILE 231 Cb 0.00 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 3ihh h ILE 231 CO -0.00 0.44 0.61 0.00 0.00 0.00 0.00 178.15 179.19 3ihh h ALA 232 N 1.00 1.28 0.26 1.87 0.00 -0.16 -1.59 119.26 121.92 3ihh h ALA 232 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ihh h ALA 232 Cb 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ihh h ALA 232 CO 0.05 0.42 -0.13 1.25 0.00 0.00 0.00 179.25 180.84 3ihh h HIS 233 N 1.13 -0.33 0.00 0.00 -0.00 -1.02 0.54 115.15 115.47 3ihh h HIS 233 Ca 0.40 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.74 3ihh h HIS 233 Cb 0.10 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 3ihh h HIS 233 CO -0.01 -0.09 -0.07 0.82 -0.00 0.00 0.00 177.93 178.58 3ihh h ILE 234 N -0.52 0.74 -0.21 6.26 2.04 -1.01 -2.50 117.51 122.30 3ihh h ILE 234 Ca -0.04 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3ihh h ILE 234 Cb 0.38 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3ihh h ILE 234 CO 0.06 0.07 0.00 0.35 0.00 0.00 0.00 178.15 178.63 3ihh n THR 235 N -4.00 0.26 -2.63 -0.27 -2.24 -0.62 -4.97 114.28 99.80 3ihh n THR 235 Ca -0.03 -0.63 -0.18 0.00 -2.27 0.00 0.00 64.05 60.95 3ihh n THR 235 Cb 0.16 1.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.64 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 1.42 -0.32 3.80 3.38 0.00 -0.67 -4.94 105.19 107.86 3ihh n GLY 236 Ca 0.17 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.28 3.37 -0.12 0.99 1.43 0.18 -5.02 118.68 114.23 3ihh s LEU 237 Ca 0.14 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 3ihh s LEU 237 Cb -0.06 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3ihh s LEU 237 CO 0.17 -0.42 0.08 -1.10 0.23 0.00 0.00 176.35 175.31 3ihh s GLN 238 N -3.95 3.34 0.46 1.70 -1.52 -0.70 -4.15 119.66 114.83 3ihh s GLN 238 Ca 0.41 -0.26 -0.24 0.00 -1.95 0.00 0.00 55.36 53.32 3ihh s GLN 238 Cb -0.03 -3.04 -0.07 0.00 -0.22 0.00 0.00 33.01 29.64 3ihh s GLN 238 CO 0.25 0.68 1.28 -1.25 -0.25 0.00 0.00 175.29 176.00 3ihh s PRO 239 N -0.78 3.70 0.00 2.91 0.04 -1.26 -0.00 135.00 139.60 3ihh s PRO 239 Ca 0.13 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.25 3ihh s PRO 239 Cb -0.12 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3ihh s PRO 239 CO 0.03 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.79 3ihh n GLY 240 N 0.62 0.20 3.32 0.56 0.00 0.66 -4.24 105.19 106.30 3ihh n GLY 240 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.19 3.04 -0.24 1.61 1.01 -1.25 -0.15 116.67 120.50 3ihh s ASP 241 Ca 0.00 -0.54 -0.10 0.00 0.71 0.00 0.00 52.55 52.63 3ihh s ASP 241 Cb 0.00 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.59 3ihh s ASP 241 CO 0.00 0.27 0.14 0.12 0.21 0.00 0.00 175.17 175.91 3ihh s PHE 242 N -0.73 3.25 -0.25 4.23 5.36 0.29 -0.44 117.98 129.69 3ihh s PHE 242 Ca 0.11 0.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.11 3ihh s PHE 242 Cb -0.10 -2.26 0.01 0.00 -0.34 0.00 0.00 43.02 40.32 3ihh s PHE 242 CO 0.01 -0.04 -0.01 0.08 -1.46 0.00 0.00 175.22 173.80 3ihh s VAL 243 N 1.22 3.43 -0.31 3.12 1.01 0.73 0.26 120.40 129.87 3ihh s VAL 243 Ca 0.07 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3ihh s VAL 243 Cb -0.14 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.57 3ihh s VAL 243 CO 0.05 0.25 0.12 -2.28 0.00 0.00 0.00 175.10 173.25 3ihh s HIS 244 N 1.44 3.17 -0.13 5.22 2.46 0.37 -1.04 115.29 126.78 3ihh s HIS 244 Ca 0.03 -0.86 -0.04 0.00 0.47 0.00 0.00 55.06 54.66 3ihh s HIS 244 Cb -0.16 -2.31 -0.03 0.00 -0.13 0.00 0.00 32.58 29.95 3ihh s HIS 244 CO -0.02 -0.55 0.00 0.99 -2.47 0.00 0.00 174.74 172.69 3ihh s THR 245 N 1.54 4.27 0.02 0.89 2.01 -0.27 -1.03 115.64 123.06 3ihh s THR 245 Ca 0.03 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.85 3ihh s THR 245 Cb -0.17 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 3ihh s THR 245 CO 0.04 0.53 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.58 3ihh s LEU 246 N -0.12 2.70 0.00 4.42 1.43 -0.60 -0.94 118.68 125.56 3ihh s LEU 246 Ca 0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3ihh s LEU 246 Cb -0.13 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3ihh s LEU 246 CO 0.02 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.48 3ihh n GLY 247 N 1.66 1.59 3.55 -3.19 0.00 0.50 -2.25 105.19 107.05 3ihh n GLY 247 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.33 1.61 -1.08 -0.60 -0.57 116.67 120.96 3ihh s ASP 248 Ca 0.00 -0.77 -0.24 0.00 -0.52 0.00 0.00 52.55 51.01 3ihh s ASP 248 Cb 0.00 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 3ihh s ASP 248 CO 0.00 -1.72 0.85 0.00 0.52 0.00 0.00 175.17 174.81 3ihh s ALA 249 N 5.43 3.49 0.07 3.66 0.00 -0.18 -0.97 121.76 133.27 3ihh s ALA 249 Ca 0.38 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3ihh s ALA 249 Cb -0.06 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3ihh s ALA 249 CO 0.07 -1.36 -0.06 -3.38 0.00 0.00 0.00 175.76 171.04 3ihh s HIS 250 N 3.16 0.75 -0.17 0.00 -3.43 -0.08 -0.66 115.29 114.85 3ihh s HIS 250 Ca 0.35 -0.84 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 3ihh s HIS 250 Cb -0.13 -0.45 0.03 0.00 -1.43 0.00 0.00 32.58 30.59 3ihh s HIS 250 CO 0.15 -0.18 -0.11 0.42 -2.00 0.00 0.00 174.74 173.01 3ihh s ILE 251 N -3.13 1.51 0.49 -5.38 1.01 0.21 -1.50 121.20 114.41 3ihh s ILE 251 Ca 0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 3ihh s ILE 251 Cb 0.02 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 3ihh s ILE 251 CO -0.05 0.31 1.31 -0.31 0.00 0.00 0.00 174.94 176.21 3ihh s TYR 252 N 1.48 2.52 0.34 3.97 2.02 -1.26 -1.33 117.35 125.09 3ihh s TYR 252 Ca 0.02 1.40 0.10 0.00 -0.37 0.00 0.00 57.07 58.23 3ihh s TYR 252 Cb -0.14 -3.70 0.88 0.00 -0.40 0.00 0.00 41.96 38.60 3ihh s TYR 252 CO -0.09 -2.46 1.77 -0.07 -1.57 0.00 0.00 175.55 173.13 3ihh h LEU 253 N 1.89 0.66 0.00 -1.29 3.38 -1.65 0.74 115.31 119.04 3ihh h LEU 253 Ca -0.50 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3ihh h LEU 253 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ihh h LEU 253 CO 0.59 0.18 0.00 -0.46 0.09 0.00 0.00 178.44 178.85 3ihh n ASN 254 N -4.75 0.00 -0.23 -0.43 6.94 -1.26 -2.74 115.26 112.79 3ihh n ASN 254 Ca 0.24 -1.09 0.10 0.00 -0.02 0.00 0.00 54.58 53.81 3ihh n ASN 254 Cb 0.69 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.05 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 -0.95 0.00 -0.11 -2.53 8.25 0.25 -4.63 115.22 115.49 3ihh n HIS 255 Ca 0.22 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.61 3ihh n HIS 255 Cb 0.10 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 1.13 0.98 0.02 1.59 2.04 -1.49 1.00 117.51 122.77 3ihh h ILE 256 Ca 0.00 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3ihh h ILE 256 Cb 0.57 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3ihh h ILE 256 CO 0.00 0.07 -0.01 -0.33 0.00 0.00 0.00 178.15 177.88 3ihh h GLU 257 N 0.38 -0.03 -0.61 2.37 4.39 -1.82 -0.07 114.58 119.19 3ihh h GLU 257 Ca 0.16 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.02 3ihh h GLU 257 Cb 0.07 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 3ihh h GLU 257 CO -0.11 0.45 0.43 -1.35 -1.16 0.00 0.00 179.01 177.27 3ihh h PRO 258 N -0.52 0.07 0.15 2.33 0.11 -1.79 -2.35 132.00 130.00 3ihh h PRO 258 Ca -0.00 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.82 3ihh h PRO 258 Cb 0.50 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.60 3ihh h PRO 258 CO 0.01 0.05 -1.29 -0.07 -0.21 0.00 0.00 178.00 176.48 3ihh h LEU 259 N 0.08 0.49 -1.41 2.35 3.38 -0.66 -2.05 115.31 117.47 3ihh h LEU 259 Ca 0.29 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3ihh h LEU 259 Cb 1.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3ihh h LEU 259 CO -0.02 1.41 0.27 0.11 0.09 0.00 0.00 178.44 180.30 3ihh h LYS 260 N 0.08 0.67 -0.28 1.13 1.57 -0.61 0.14 116.57 119.27 3ihh h LYS 260 Ca -0.16 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3ihh h LYS 260 Cb 2.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.16 3ihh h LYS 260 CO 0.21 0.49 0.03 0.82 -0.57 0.00 0.00 179.45 180.44 3ihh h ILE 261 N 0.68 1.24 0.00 1.86 5.03 -1.42 -3.17 117.51 121.73 3ihh h ILE 261 Ca 0.18 -0.84 -0.05 0.00 -0.12 0.00 0.00 64.86 64.02 3ihh h ILE 261 Cb 0.01 1.24 -0.01 0.00 -3.03 0.00 0.00 36.82 35.04 3ihh h ILE 261 CO -0.03 0.27 -0.26 -0.61 -0.68 0.00 0.00 178.15 176.84 3ihh h GLN 262 N 0.29 0.00 0.00 2.37 4.15 -0.45 -2.78 115.11 118.69 3ihh h GLN 262 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 3ihh h GLN 262 Cb 0.37 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 3ihh h GLN 262 CO 0.01 0.26 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.02 3ihh h LEU 263 N 0.00 0.00 -0.26 -2.39 3.38 -0.99 -2.32 115.31 112.73 3ihh h LEU 263 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ihh h LEU 263 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ihh h LEU 263 CO 0.03 0.08 -0.10 0.00 0.09 0.00 0.00 178.44 178.55 3ihh n GLN 264 N -3.28 0.76 -3.63 1.13 6.02 -1.05 -4.90 117.38 112.43 3ihh n GLN 264 Ca -0.00 -0.26 -0.36 0.00 -0.01 0.00 0.00 57.00 56.36 3ihh n GLN 264 Cb 0.30 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 3ihh n GLN 264 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ihh s ARG 265 N -2.42 3.73 -0.21 -1.09 0.52 -0.87 -5.05 118.95 113.55 3ihh s ARG 265 Ca 0.30 0.15 -0.21 0.00 -0.52 0.00 0.00 55.73 55.46 3ihh s ARG 265 Cb 0.20 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 3ihh s ARG 265 CO 0.46 0.64 0.62 -1.21 0.02 0.00 0.00 175.30 175.84 3ihh s GLU 266 N -1.55 4.20 0.29 3.54 2.02 -1.26 -4.98 118.70 120.95 3ihh s GLU 266 Ca 0.27 0.60 -0.30 0.00 0.02 0.00 0.00 54.97 55.56 3ihh s GLU 266 Cb -0.14 -3.59 -0.11 0.00 0.10 0.00 0.00 34.13 30.39 3ihh s GLU 266 CO 0.15 -0.26 1.57 -2.14 0.02 0.00 0.00 175.26 174.60 3ihh s PRO 267 N 1.99 4.14 0.32 0.39 0.02 -1.26 -4.82 135.00 135.78 3ihh s PRO 267 Ca 0.28 2.54 0.05 0.00 0.02 0.00 0.00 61.00 63.89 3ihh s PRO 267 Cb -0.16 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3ihh s PRO 267 CO 0.10 -0.60 0.47 -0.98 -0.33 0.00 0.00 177.00 175.65 3ihh s ARG 268 N -0.49 3.25 0.18 5.54 3.03 -1.26 -5.05 118.95 124.15 3ihh s ARG 268 Ca 0.63 -0.80 -0.22 0.00 2.03 0.00 0.00 55.73 57.37 3ihh s ARG 268 Cb -0.47 -2.79 -0.14 0.00 -1.03 0.00 0.00 34.95 30.52 3ihh s ARG 268 CO 0.47 0.14 0.38 -2.30 -1.13 0.00 0.00 175.30 172.87 3ihh n PRO 269 N -1.64 0.00 -1.15 3.89 -0.02 -1.26 -4.85 135.00 129.97 3ihh n PRO 269 Ca -0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.12 3ihh n PRO 269 Cb 0.57 -0.81 0.12 0.00 -0.02 0.00 0.00 33.50 33.37 3ihh n PRO 269 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3ihh s PHE 270 N -0.87 1.99 1.06 6.00 0.08 -1.26 -4.81 117.98 120.17 3ihh s PHE 270 Ca 0.51 1.66 -0.17 0.00 0.12 0.00 0.00 56.93 59.05 3ihh s PHE 270 Cb -0.72 -3.36 0.24 0.00 -0.57 0.00 0.00 43.02 38.61 3ihh s PHE 270 CO 0.46 -2.53 1.24 -1.25 -0.10 0.00 0.00 175.22 173.04 3ihh s PRO 271 N -4.32 -0.15 0.18 0.24 0.04 -1.25 -4.79 135.00 124.95 3ihh s PRO 271 Ca 0.69 -0.29 0.08 0.00 0.04 0.00 0.00 61.00 61.52 3ihh s PRO 271 Cb -0.25 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3ihh s PRO 271 CO 0.51 -2.96 -0.03 0.15 0.04 0.00 0.00 177.00 174.71 3ihh s LYS 272 N -5.71 2.28 -0.14 4.56 -0.14 -0.43 -0.58 119.74 119.58 3ihh s LYS 272 Ca 0.73 -1.19 -0.02 0.00 -1.36 0.00 0.00 55.97 54.13 3ihh s LYS 272 Cb -0.06 -2.27 -0.02 0.00 -1.68 0.00 0.00 37.83 33.80 3ihh s LYS 272 CO 0.54 0.44 -0.08 -1.17 -0.76 0.00 0.00 175.35 174.32 3ihh s LEU 273 N -2.97 2.99 -0.11 3.17 2.96 -1.26 -1.03 118.68 122.42 3ihh s LEU 273 Ca 0.27 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3ihh s LEU 273 Cb -0.09 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3ihh s LEU 273 CO 0.18 0.18 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.45 3ihh s LYS 274 N 0.27 3.16 -0.21 1.98 2.47 0.40 -4.97 119.74 122.84 3ihh s LYS 274 Ca -0.06 -0.79 -0.12 0.00 -1.56 0.00 0.00 55.97 53.44 3ihh s LYS 274 Cb -0.15 -2.45 -0.05 0.00 -1.46 0.00 0.00 37.83 33.73 3ihh s LYS 274 CO 0.04 0.22 0.23 0.42 0.16 0.00 0.00 175.35 176.42 3ihh s ILE 275 N 0.28 5.32 -0.11 5.43 1.01 -1.26 0.36 121.20 132.23 3ihh s ILE 275 Ca -0.13 0.36 0.22 0.00 0.00 0.00 0.00 60.65 61.09 3ihh s ILE 275 Cb -0.17 -3.57 -0.21 0.00 0.01 0.00 0.00 42.46 38.52 3ihh s ILE 275 CO 0.07 0.34 0.67 0.18 0.00 0.00 0.00 174.94 176.20 3ihh n LEU 276 N 4.11 0.32 -4.18 2.97 7.99 0.41 -4.87 117.00 123.75 3ihh n LEU 276 Ca -0.13 0.13 -0.20 0.00 -0.01 0.00 0.00 56.01 55.79 3ihh n LEU 276 Cb 0.52 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.70 3ihh n LEU 276 CO 0.37 -0.04 -0.47 0.00 -1.51 0.00 0.00 177.39 175.74 3ihh s ARG 277 N -3.41 0.94 -0.58 3.23 1.70 -1.26 -5.10 118.95 114.47 3ihh s ARG 277 Ca -0.05 -0.92 -0.26 0.00 -0.47 0.00 0.00 55.73 54.03 3ihh s ARG 277 Cb 0.12 -0.99 -0.09 0.00 -0.57 0.00 0.00 34.95 33.42 3ihh s ARG 277 CO 0.86 0.23 2.43 1.17 -1.08 0.00 0.00 175.30 178.91 3ihh n LYS 278 N 1.48 0.89 -4.43 3.89 4.81 -1.26 -5.00 118.16 118.54 3ihh n LYS 278 Ca -0.20 -0.21 -0.35 0.00 -0.87 0.00 0.00 58.31 56.68 3ihh n LYS 278 Cb 0.54 -3.44 -0.10 0.00 0.02 0.00 0.00 35.03 32.05 3ihh n LYS 278 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3ihh s VAL 279 N 12.73 4.16 -0.16 3.15 -7.23 -1.26 -5.02 120.40 126.78 3ihh s VAL 279 Ca 0.98 -0.30 0.18 0.00 -1.81 0.00 0.00 61.98 61.03 3ihh s VAL 279 Cb -0.20 -2.74 -0.26 0.00 0.56 0.00 0.00 36.38 33.75 3ihh s VAL 279 CO 0.23 0.60 0.14 -0.62 -0.31 0.00 0.00 175.10 175.14 3ihh n GLU 280 N 2.20 0.79 -4.36 4.82 -0.58 -1.26 -4.59 120.64 117.66 3ihh n GLU 280 Ca -0.18 -0.05 -0.19 0.00 -0.42 0.00 0.00 57.16 56.32 3ihh n GLU 280 Cb 0.53 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.80 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 -2.66 1.69 0.29 2.62 -4.23 -1.26 -4.92 115.64 107.17 3ihh s THR 281 Ca -0.09 -2.19 0.16 0.00 -1.18 0.00 0.00 61.69 58.39 3ihh s THR 281 Cb 0.07 -2.14 0.10 0.00 1.34 0.00 0.00 72.50 71.87 3ihh s THR 281 CO 0.81 -0.52 1.78 -0.29 -0.54 0.00 0.00 174.62 175.85 3ihh h ILE 282 N 2.49 1.10 0.00 2.99 6.09 -1.95 -2.74 117.51 125.51 3ihh h ILE 282 Ca -0.38 -1.46 0.00 0.00 -1.37 0.00 0.00 64.86 61.65 3ihh h ILE 282 Cb 1.22 1.83 0.00 0.00 0.47 0.00 0.00 36.82 40.34 3ihh h ILE 282 CO 0.63 0.39 0.00 0.44 -3.07 0.00 0.00 178.15 176.54 3ihh h ASP 283 N 0.00 0.00 0.68 2.19 5.19 -1.96 -3.26 116.42 119.26 3ihh h ASP 283 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ihh h ASP 283 Cb 0.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.30 3ihh h ASP 283 CO 0.05 0.00 -1.10 -0.67 -3.12 0.00 0.00 179.24 174.40 3ihh n ASP 284 N -2.31 0.65 -4.76 6.45 2.03 -1.03 -4.96 116.55 112.61 3ihh n ASP 284 Ca 0.03 0.10 -0.41 0.00 0.52 0.00 0.00 54.79 55.03 3ihh n ASP 284 Cb 0.28 0.73 -0.02 0.00 -0.72 0.00 0.00 41.12 41.39 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 -3.31 2.88 0.26 -0.67 0.08 -1.23 -5.01 117.98 110.97 3ihh s PHE 285 Ca 0.00 1.16 0.11 0.00 0.12 0.00 0.00 56.93 58.33 3ihh s PHE 285 Cb 0.12 -3.86 -0.05 0.00 -0.57 0.00 0.00 43.02 38.66 3ihh s PHE 285 CO 0.80 -2.60 -0.11 0.15 -0.10 0.00 0.00 175.22 173.36 3ihh s LYS 286 N -1.32 1.97 0.30 0.44 1.02 -1.26 -5.05 119.74 115.84 3ihh s LYS 286 Ca 0.55 -1.57 0.05 0.00 0.02 0.00 0.00 55.97 55.01 3ihh s LYS 286 Cb -0.43 -1.97 0.67 0.00 -0.52 0.00 0.00 37.83 35.58 3ihh s LYS 286 CO 0.52 0.35 1.82 -0.24 -0.92 0.00 0.00 175.35 176.89 3ihh h VAL 287 N 2.16 0.82 -0.04 3.17 3.04 -1.97 0.51 116.25 123.94 3ihh h VAL 287 Ca -0.43 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3ihh h VAL 287 Cb 1.25 -0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3ihh h VAL 287 CO 0.59 0.16 0.00 -0.62 -1.01 0.00 0.00 177.57 176.69 3ihh n GLU 288 N -4.66 1.32 0.00 4.17 4.71 -1.26 -3.68 120.64 121.25 3ihh n GLU 288 Ca 0.20 -0.48 0.11 0.00 -0.01 0.00 0.00 57.16 56.99 3ihh n GLU 288 Cb 0.46 -1.41 0.55 0.00 -1.01 0.00 0.00 31.44 30.04 3ihh n GLU 288 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ihh n ASP 289 N -0.36 0.00 -4.27 1.62 8.00 0.17 -4.83 116.55 116.88 3ihh n ASP 289 Ca 0.18 0.17 -0.30 0.00 0.71 0.00 0.00 54.79 55.56 3ihh n ASP 289 Cb 0.20 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.75 2.20 -0.04 1.24 0.08 -1.24 -0.44 117.98 117.03 3ihh s PHE 290 Ca 0.18 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 3ihh s PHE 290 Cb 0.16 -1.43 0.03 0.00 -0.57 0.00 0.00 43.02 41.21 3ihh s PHE 290 CO 0.39 -0.08 0.03 -1.14 -0.10 0.00 0.00 175.22 174.31 3ihh s GLN 291 N -0.44 0.13 -0.14 0.44 2.00 0.16 -4.96 119.66 116.85 3ihh s GLN 291 Ca 0.06 0.24 -0.27 0.00 -2.00 0.00 0.00 55.36 53.39 3ihh s GLN 291 Cb -0.10 -0.55 -0.01 0.00 0.80 0.00 0.00 33.01 33.14 3ihh s GLN 291 CO 0.00 -0.26 0.90 0.42 -0.50 0.00 0.00 175.29 175.85 3ihh s ILE 292 N 1.73 4.85 -0.08 -2.34 -1.09 -1.26 0.15 121.20 123.16 3ihh s ILE 292 Ca -0.00 1.80 0.03 0.00 -2.23 0.00 0.00 60.65 60.24 3ihh s ILE 292 Cb -0.13 -4.21 0.01 0.00 -1.58 0.00 0.00 42.46 36.56 3ihh s ILE 292 CO -0.03 0.03 -0.17 -1.61 -1.23 0.00 0.00 174.94 171.93 3ihh s GLU 293 N 2.02 2.22 -0.34 2.79 2.02 -0.20 -4.73 118.70 122.48 3ihh s GLU 293 Ca 0.42 -0.59 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 3ihh s GLU 293 Cb -0.17 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3ihh s GLU 293 CO 0.15 0.08 0.25 0.41 0.02 0.00 0.00 175.26 176.16 3ihh n GLY 294 N 3.73 0.54 3.54 -1.39 0.00 -1.26 -1.31 105.19 109.04 3ihh n GLY 294 Ca -0.21 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.96 3.12 -0.57 1.61 5.04 -1.26 -4.08 117.35 118.24 3ihh s TYR 295 Ca 0.12 0.09 0.07 0.00 -2.44 0.00 0.00 57.07 54.91 3ihh s TYR 295 Cb -0.05 -3.15 0.26 0.00 0.35 0.00 0.00 41.96 39.36 3ihh s TYR 295 CO 0.15 -0.71 0.71 -1.71 -1.34 0.00 0.00 175.55 172.65 3ihh n ASN 296 N 6.03 2.94 -4.80 4.32 5.15 -1.26 -5.08 115.26 122.56 3ihh n ASN 296 Ca -0.03 -3.28 -0.35 0.00 -0.60 0.00 0.00 54.58 50.32 3ihh n ASN 296 Cb 0.48 -0.65 -0.05 0.00 -0.53 0.00 0.00 39.78 39.03 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 -2.25 4.14 1.02 1.20 0.04 -1.26 -4.84 135.00 133.04 3ihh s PRO 297 Ca 0.39 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 3ihh s PRO 297 Cb 0.17 -2.33 0.13 0.00 0.04 0.00 0.00 34.50 32.50 3ihh s PRO 297 CO -0.04 -0.13 0.64 0.72 0.04 0.00 0.00 177.00 178.23 3ihh n HIS 298 N -0.42 -0.79 -1.85 0.56 8.25 0.12 -4.88 115.22 116.22 3ihh n HIS 298 Ca 0.06 0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.30 3ihh n HIS 298 Cb 0.52 -1.79 -0.03 0.00 1.12 0.00 0.00 29.99 29.82 3ihh n HIS 298 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3ihh s PRO 299 N -4.01 4.18 0.22 -0.41 0.02 -1.26 -4.30 135.00 129.45 3ihh s PRO 299 Ca 0.61 2.47 -0.31 0.00 0.02 0.00 0.00 61.00 63.79 3ihh s PRO 299 Cb -0.21 -3.11 -0.15 0.00 0.02 0.00 0.00 34.50 31.06 3ihh s PRO 299 CO 0.64 -0.65 1.19 2.41 -0.33 0.00 0.00 177.00 180.27 3ihh n THR 300 N 3.66 1.22 -2.31 0.99 -1.04 -1.26 -4.88 114.28 110.65 3ihh n THR 300 Ca 0.13 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.05 61.59 3ihh n THR 300 Cb 0.37 -1.07 0.09 0.00 -1.82 0.00 0.00 70.33 67.91 3ihh n THR 300 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3ihh s ILE 301 N -0.40 2.24 -0.14 12.58 -1.16 -1.26 -5.05 121.20 128.01 3ihh s ILE 301 Ca 0.68 -0.36 0.01 0.00 -0.51 0.00 0.00 60.65 60.46 3ihh s ILE 301 Cb -0.75 -2.88 0.02 0.00 0.61 0.00 0.00 42.46 39.46 3ihh s ILE 301 CO 0.54 0.00 -0.15 -0.75 -2.81 0.00 0.00 174.94 171.77 3ihh s LYS 302 N -5.26 2.33 -0.08 3.50 2.36 -1.26 -5.02 119.74 116.29 3ihh s LYS 302 Ca 0.64 -0.57 0.00 0.00 -2.55 0.00 0.00 55.97 53.49 3ihh s LYS 302 Cb -0.08 -2.10 0.02 0.00 -1.05 0.00 0.00 37.83 34.62 3ihh s LYS 302 CO 0.45 -0.21 -0.08 -1.64 1.55 0.00 0.00 175.35 175.43 3ihh s MET 303 N 1.39 1.37 0.52 4.03 -1.94 -1.26 -4.95 119.30 118.46 3ihh s MET 303 Ca 0.03 -0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 53.65 3ihh s MET 303 Cb -0.13 -1.36 -0.06 0.00 2.01 0.00 0.00 34.83 35.29 3ihh s MET 303 CO -0.09 -0.16 0.92 -1.83 -0.01 0.00 0.00 175.02 173.85 3ihh s GLU 304 N 1.32 3.75 1.19 2.03 1.03 -1.26 -5.02 118.70 121.75 3ihh s GLU 304 Ca -0.03 0.68 -0.13 0.00 0.03 0.00 0.00 54.97 55.52 3ihh s GLU 304 Cb -0.14 -2.21 0.30 0.00 -0.80 0.00 0.00 34.13 31.28 3ihh s GLU 304 CO -0.03 -0.29 1.02 -1.64 -1.33 0.00 0.00 175.26 172.98 3ihh s MET 305 N -4.43 -1.16 -0.04 -4.83 -1.94 -1.26 -4.83 119.30 100.80 3ihh s MET 305 Ca 0.54 0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 55.01 3ihh s MET 305 Cb -0.10 -1.53 -0.03 0.00 2.01 0.00 0.00 34.83 35.18 3ihh s MET 305 CO 0.40 -3.87 0.92 0.00 -0.01 0.00 0.00 175.02 172.46 3ihh s ALA 306 N -2.44 3.24 -2.21 3.03 0.00 -1.26 -5.15 121.76 116.98 3ihh s ALA 306 Ca 0.69 0.41 0.30 0.00 0.00 0.00 0.00 51.96 53.36 3ihh s ALA 306 Cb -0.25 -3.26 1.56 0.00 0.00 0.00 0.00 23.12 21.16 3ihh s ALA 306 CO 0.65 -0.27 2.03 0.28 0.00 0.00 0.00 175.76 178.45