#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihb s ARG 2 N 0.00 3.62 0.15 3.17 1.70 -1.26 -5.04 118.95 121.30 3ihb s ARG 2 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 55.73 54.95 3ihb s ARG 2 Cb 0.00 -3.09 -0.11 0.00 -0.57 0.00 0.00 34.95 31.18 3ihb s ARG 2 CO 0.00 0.65 1.72 -1.58 -1.08 0.00 0.00 175.30 175.01 3ihb s HIS 3 N -1.27 2.61 0.05 5.89 5.65 -1.26 -4.91 115.29 122.05 3ihb s HIS 3 Ca 0.27 0.27 0.32 0.00 0.25 0.00 0.00 55.06 56.16 3ihb s HIS 3 Cb -0.13 -4.09 1.24 0.00 -1.18 0.00 0.00 32.58 28.42 3ihb s HIS 3 CO 0.15 -4.28 1.94 -1.00 -0.65 0.00 0.00 174.74 170.89 3ihb h PRO 4 N 7.62 0.00 0.18 2.88 0.13 -2.01 -3.34 132.00 137.46 3ihb h PRO 4 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3ihb h PRO 4 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ihb h PRO 4 CO 0.94 0.01 -0.09 0.82 -0.23 0.00 0.00 178.00 179.46 3ihb h ILE 5 N 0.00 0.84 -0.02 -3.56 1.08 -2.00 -2.06 117.51 111.79 3ihb h ILE 5 Ca -0.00 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3ihb h ILE 5 Cb 0.57 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 3ihb h ILE 5 CO 0.00 0.02 0.02 1.55 -0.69 0.00 0.00 178.15 179.05 3ihb h PRO 6 N -0.28 0.00 -0.14 2.37 0.13 -1.88 0.17 132.00 132.37 3ihb h PRO 6 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 3ihb h PRO 6 Cb 0.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 3ihb h PRO 6 CO 0.04 0.00 -0.49 -0.44 -0.23 0.00 0.00 178.00 176.88 3ihb h ASP 7 N 0.00 0.41 -0.39 1.44 3.32 -1.63 -1.13 116.42 118.43 3ihb h ASP 7 Ca 0.01 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3ihb h ASP 7 Cb 0.04 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3ihb h ASP 7 CO -0.00 0.83 0.14 0.22 -1.72 0.00 0.00 179.24 178.71 3ihb h TYR 8 N 0.30 0.62 -0.81 4.55 3.20 -0.30 -1.60 116.97 122.93 3ihb h TYR 8 Ca 0.01 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3ihb h TYR 8 Cb 0.97 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 3ihb h TYR 8 CO 0.03 0.56 0.51 -0.07 -1.64 0.00 0.00 178.16 177.55 3ihb h LEU 9 N 0.49 0.95 -0.71 2.82 3.38 -1.01 0.02 115.31 121.26 3ihb h LEU 9 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ihb h LEU 9 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3ihb h LEU 9 CO -0.01 0.72 0.25 0.00 0.09 0.00 0.00 178.44 179.49 3ihb h ALA 10 N 1.28 0.93 -0.48 1.53 0.00 -1.02 -0.02 119.26 121.47 3ihb h ALA 10 Ca 0.29 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ihb h ALA 10 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3ihb h ALA 10 CO -0.06 0.58 0.06 0.77 0.00 0.00 0.00 179.25 180.61 3ihb h SER 11 N 1.03 0.78 -0.72 0.00 0.02 -0.80 -1.98 113.55 111.89 3ihb h SER 11 Ca 0.23 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3ihb h SER 11 Cb 0.27 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3ihb h SER 11 CO -0.01 0.86 0.32 0.25 -1.14 0.00 0.00 176.83 177.10 3ihb h LEU 12 N 0.68 0.96 -0.47 5.07 5.85 -0.67 0.12 115.31 126.84 3ihb h LEU 12 Ca 0.14 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ihb h LEU 12 Cb 0.42 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3ihb h LEU 12 CO 0.01 0.84 0.28 0.58 -0.34 0.00 0.00 178.44 179.82 3ihb h VAL 13 N 1.01 1.15 -0.37 1.05 2.07 -0.83 -0.23 116.25 120.10 3ihb h VAL 13 Ca 0.24 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 3ihb h VAL 13 Cb 0.16 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ihb h VAL 13 CO -0.03 0.15 -0.12 0.74 0.02 0.00 0.00 177.57 178.34 3ihb h THR 14 N 0.63 1.28 0.46 2.57 2.02 -1.04 0.23 112.91 119.06 3ihb h THR 14 Ca 0.17 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 3ihb h THR 14 Cb 0.00 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3ihb h THR 14 CO -0.03 0.40 -0.22 -0.08 0.37 0.00 0.00 175.52 175.96 3ihb h GLU 15 N 0.54 -0.59 0.00 6.66 4.81 -0.59 -3.04 114.58 122.37 3ihb h GLU 15 Ca 0.09 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3ihb h GLU 15 Cb 0.65 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3ihb h GLU 15 CO 0.04 -0.29 0.00 -0.07 -0.73 0.00 0.00 179.01 177.97 3ihb h LEU 16 N -0.88 0.00 0.00 1.64 3.38 -1.12 -2.77 115.31 115.55 3ihb h LEU 16 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ihb h LEU 16 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ihb h LEU 16 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 3ihb n GLY 17 N 0.26 -1.11 0.31 0.83 0.00 0.80 -3.53 105.19 102.75 3ihb n GLY 17 Ca 0.01 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.08 3ihb n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihb h ALA 18 N 3.41 1.29 -2.42 4.61 0.00 -1.38 -3.43 119.26 121.34 3ihb h ALA 18 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 3ihb h ALA 18 Cb 0.19 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.84 3ihb h ALA 18 CO 0.00 0.01 -0.56 0.14 0.00 0.00 0.00 179.25 178.84 3ihb s VAL 19 N -4.40 0.29 -0.46 0.00 -7.23 -1.23 -5.12 120.40 102.24 3ihb s VAL 19 Ca -0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 3ihb s VAL 19 Cb 0.14 -2.51 0.26 0.00 0.56 0.00 0.00 36.38 34.83 3ihb s VAL 19 CO 0.49 0.00 0.98 -3.20 -0.31 0.00 0.00 175.10 173.06 3ihb n ASN 20 N -0.93 -2.61 -4.82 4.85 5.15 -1.26 -5.02 115.26 110.62 3ihb n ASN 20 Ca 0.02 -3.18 -0.30 0.00 -0.60 0.00 0.00 54.58 50.51 3ihb n ASN 20 Cb 0.65 1.72 0.07 0.00 -0.53 0.00 0.00 39.78 41.69 3ihb n ASN 20 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ihb s PRO 21 N 0.55 2.50 0.00 1.20 0.04 -1.26 -4.95 135.00 133.09 3ihb s PRO 21 Ca 0.29 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3ihb s PRO 21 Cb 0.24 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.82 3ihb s PRO 21 CO -0.20 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 175.89 3ihb n GLY 22 N -2.12 -1.68 3.15 0.56 0.00 -1.26 -4.63 105.19 99.22 3ihb n GLY 22 Ca 0.07 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 3ihb n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihb s GLU 23 N 0.00 0.71 0.52 1.61 2.02 -0.94 -4.82 118.70 117.79 3ihb s GLU 23 Ca 0.00 -0.90 -0.17 0.00 0.02 0.00 0.00 54.97 53.92 3ihb s GLU 23 Cb 0.00 0.28 -0.07 0.00 0.10 0.00 0.00 34.13 34.43 3ihb s GLU 23 CO 0.00 -0.19 1.00 0.95 0.02 0.00 0.00 175.26 177.03 3ihb s THR 24 N -3.34 4.37 -0.28 3.63 -4.23 -1.26 0.68 115.64 115.20 3ihb s THR 24 Ca 0.01 1.18 -0.36 0.00 -1.18 0.00 0.00 61.69 61.34 3ihb s THR 24 Cb 0.03 -3.64 -0.13 0.00 1.34 0.00 0.00 72.50 70.10 3ihb s THR 24 CO -0.08 -0.61 2.02 0.00 -0.54 0.00 0.00 174.62 175.41 3ihb n ALA 25 N -1.54 0.72 0.11 3.99 0.00 -1.26 -4.77 120.51 117.75 3ihb n ALA 25 Ca 0.07 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.44 3ihb n ALA 25 Cb 0.54 -2.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.39 3ihb n ALA 25 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3ihb h GLN 26 N 10.48 0.35 -0.22 0.00 1.08 -1.90 -1.95 115.11 122.95 3ihb h GLN 26 Ca -0.36 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.25 3ihb h GLN 26 Cb 1.31 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.96 3ihb h GLN 26 CO 0.99 1.26 0.00 2.48 -0.95 0.00 0.00 178.83 182.62 3ihb n TYR 27 N -3.57 0.00 -3.27 2.96 0.18 -1.26 -4.17 117.16 108.04 3ihb n TYR 27 Ca -0.13 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.59 3ihb n TYR 27 Cb 1.05 -0.02 -0.04 0.00 -0.38 0.00 0.00 39.34 39.95 3ihb n TYR 27 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3ihb s ILE 28 N -1.40 -0.72 0.24 -3.48 1.01 -1.26 -4.99 121.20 110.59 3ihb s ILE 28 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3ihb s ILE 28 Cb 0.00 -0.98 0.34 0.00 0.01 0.00 0.00 42.46 41.83 3ihb s ILE 28 CO 0.00 -0.22 1.23 -0.81 0.00 0.00 0.00 174.94 175.14 3ihb n PRO 29 N 5.35 -0.07 -0.11 2.79 -0.04 -1.26 -0.61 135.00 141.06 3ihb n PRO 29 Ca 0.02 1.20 0.09 0.00 -0.04 0.00 0.00 63.50 64.77 3ihb n PRO 29 Cb 0.50 -1.86 0.43 0.00 -0.04 0.00 0.00 33.50 32.53 3ihb n PRO 29 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3ihb h VAL 30 N 0.00 0.97 0.01 0.52 3.04 -1.94 -1.64 116.25 117.20 3ihb h VAL 30 Ca 0.44 -0.19 -0.26 0.00 -1.01 0.00 0.00 66.70 65.68 3ihb h VAL 30 Cb 0.83 0.36 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 3ihb h VAL 30 CO -0.77 0.10 -1.41 -0.07 -1.01 0.00 0.00 177.57 174.41 3ihb h LEU 31 N 0.56 0.02 -1.16 3.16 3.38 -1.11 -3.18 115.31 116.98 3ihb h LEU 31 Ca 0.27 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3ihb h LEU 31 Cb 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3ihb h LEU 31 CO -0.08 1.03 -0.33 0.00 0.09 0.00 0.00 178.44 179.15 3ihb h ALA 32 N 0.97 1.11 0.00 1.53 0.00 -0.83 -2.94 119.26 119.10 3ihb h ALA 32 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ihb h ALA 32 Cb 1.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3ihb h ALA 32 CO 0.10 0.41 -0.65 0.39 0.00 0.00 0.00 179.25 179.51 3ihb n GLU 33 N -3.64 0.20 -1.47 0.00 -0.58 -0.66 -4.85 120.64 109.63 3ihb n GLU 33 Ca -0.01 0.04 -0.36 0.00 -0.42 0.00 0.00 57.16 56.41 3ihb n GLU 33 Cb 0.44 -1.61 0.07 0.00 -0.57 0.00 0.00 31.44 29.78 3ihb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ihb n ALA 34 N -1.72 -0.06 -2.14 0.62 0.00 -1.11 -4.89 120.51 111.21 3ihb n ALA 34 Ca 0.04 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3ihb n ALA 34 Cb 0.41 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 3ihb n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ihb s ASP 35 N -1.49 6.55 0.49 0.00 2.15 -1.26 -4.91 116.67 118.20 3ihb s ASP 35 Ca 0.75 1.80 0.29 0.00 0.43 0.00 0.00 52.55 55.81 3ihb s ASP 35 Cb -0.37 -2.53 0.89 0.00 -0.30 0.00 0.00 42.92 40.60 3ihb s ASP 35 CO 0.48 -1.08 1.81 1.55 -0.17 0.00 0.00 175.17 177.76 3ihb h PRO 36 N 9.98 0.00 -3.35 4.34 0.13 -1.96 -3.38 132.00 137.75 3ihb h PRO 36 Ca -0.34 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.09 3ihb h PRO 36 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 3ihb h PRO 36 CO 0.98 0.00 3.19 -3.47 -0.23 0.00 0.00 178.00 178.48 3ihb n ASP 37 N -3.07 6.54 -3.81 1.44 4.64 -1.26 -4.66 116.55 116.36 3ihb n ASP 37 Ca 0.02 -2.81 -0.12 0.00 -1.38 0.00 0.00 54.79 50.50 3ihb n ASP 37 Cb 0.41 -1.56 -0.11 0.00 -1.04 0.00 0.00 41.12 38.82 3ihb n ASP 37 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3ihb s ARG 38 N 1.85 0.30 -0.30 -0.67 0.52 -1.26 -5.11 118.95 114.28 3ihb s ARG 38 Ca 0.56 0.15 -0.05 0.00 -0.52 0.00 0.00 55.73 55.88 3ihb s ARG 38 Cb 0.16 0.14 0.18 0.00 0.52 0.00 0.00 34.95 35.95 3ihb s ARG 38 CO -0.07 -0.05 0.72 0.12 0.02 0.00 0.00 175.30 176.04 3ihb s PHE 39 N -0.21 -1.32 0.10 -0.53 5.36 -1.26 -4.27 117.98 115.84 3ihb s PHE 39 Ca -0.03 1.46 0.02 0.00 -0.96 0.00 0.00 56.93 57.42 3ihb s PHE 39 Cb -0.03 0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 43.10 3ihb s PHE 39 CO 0.01 -0.72 -0.07 0.20 -1.46 0.00 0.00 175.22 173.18 3ihb s GLY 40 N 2.88 0.77 -0.12 13.12 0.00 -0.52 -1.59 107.32 121.85 3ihb s GLY 40 Ca 0.14 -1.31 -0.17 0.00 0.00 0.00 0.00 44.72 43.38 3ihb s GLY 40 CO -0.18 -1.41 0.44 -1.50 0.00 0.00 0.00 173.10 170.45 3ihb s ILE 41 N -3.38 0.02 0.01 0.90 2.07 -0.65 -1.07 121.20 119.10 3ihb s ILE 41 Ca 0.10 -0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.19 3ihb s ILE 41 Cb 0.04 -0.67 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 3ihb s ILE 41 CO -0.04 -0.07 0.03 0.00 -1.91 0.00 0.00 174.94 172.96 3ihb s ALA 42 N -0.34 -0.04 -0.08 1.50 0.00 -0.09 -1.64 121.76 121.08 3ihb s ALA 42 Ca -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.49 3ihb s ALA 42 Cb -0.03 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3ihb s ALA 42 CO 0.03 -0.18 -0.11 -0.51 0.00 0.00 0.00 175.76 174.99 3ihb s LEU 43 N -1.47 1.50 -0.17 0.00 1.43 0.31 -1.66 118.68 118.62 3ihb s LEU 43 Ca -0.15 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3ihb s LEU 43 Cb -0.09 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 3ihb s LEU 43 CO -0.00 -0.02 -0.09 0.00 0.23 0.00 0.00 176.35 176.47 3ihb s ALA 44 N 0.98 2.73 0.59 4.21 0.00 0.23 -1.09 121.76 129.41 3ihb s ALA 44 Ca -0.09 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 3ihb s ALA 44 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.56 3ihb s ALA 44 CO -0.00 -0.01 0.88 0.95 0.00 0.00 0.00 175.76 177.58 3ihb s THR 45 N 0.77 3.43 0.27 0.00 -4.23 0.59 -1.04 115.64 115.43 3ihb s THR 45 Ca -0.04 -0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.30 3ihb s THR 45 Cb -0.15 -3.36 0.15 0.00 1.34 0.00 0.00 72.50 70.48 3ihb s THR 45 CO 0.01 -0.35 1.81 -0.65 -0.54 0.00 0.00 174.62 174.91 3ihb h PRO 46 N -0.14 0.89 -0.00 3.99 0.11 -1.89 -3.00 132.00 131.95 3ihb h PRO 46 Ca -0.45 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3ihb h PRO 46 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ihb h PRO 46 CO 0.60 0.79 -0.03 0.25 -0.21 0.00 0.00 178.00 179.40 3ihb n THR 47 N -4.27 0.00 0.00 -1.15 -2.24 -1.26 -4.57 114.28 100.79 3ihb n THR 47 Ca 0.04 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3ihb n THR 47 Cb 0.23 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3ihb n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihb n GLY 48 N 1.32 1.65 3.90 3.38 0.00 -1.13 -4.85 105.19 109.46 3ihb n GLY 48 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3ihb n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihb s ARG 49 N -0.02 3.26 -0.18 1.61 3.00 -1.26 -4.86 118.95 120.50 3ihb s ARG 49 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 55.73 54.99 3ihb s ARG 49 Cb 0.00 -2.86 0.07 0.00 0.00 0.00 0.00 34.95 32.16 3ihb s ARG 49 CO 0.00 0.51 0.13 -1.17 0.00 0.00 0.00 175.30 174.76 3ihb s LEU 50 N -3.19 0.24 -0.02 2.53 2.96 -1.26 -0.30 118.68 119.64 3ihb s LEU 50 Ca 0.33 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3ihb s LEU 50 Cb -0.11 -0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.46 3ihb s LEU 50 CO 0.27 -0.35 0.07 -1.00 -1.32 0.00 0.00 176.35 174.02 3ihb s HIS 51 N 2.19 3.28 0.32 5.38 3.76 -0.25 -4.96 115.29 125.01 3ihb s HIS 51 Ca 0.04 0.22 -0.14 0.00 -0.15 0.00 0.00 55.06 55.02 3ihb s HIS 51 Cb -0.16 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 31.81 3ihb s HIS 51 CO -0.11 0.55 0.64 0.00 -0.85 0.00 0.00 174.74 174.97 3ihb s ALA 53 N -3.22 -1.84 0.00 0.00 0.00 -0.65 -4.78 121.76 111.26 3ihb s ALA 53 Ca 0.19 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3ihb s ALA 53 Cb -0.03 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3ihb s ALA 53 CO 0.12 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.61 3ihb n GLY 54 N -0.22 0.70 3.08 0.00 0.00 -1.26 -1.64 105.19 105.85 3ihb n GLY 54 Ca -0.08 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3ihb n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ihb n ASP 55 N -2.67 2.79 -1.30 1.61 8.00 -0.62 -4.60 116.55 119.75 3ihb n ASP 55 Ca 0.00 -2.71 0.12 0.00 0.71 0.00 0.00 54.79 52.91 3ihb n ASP 55 Cb 0.00 -1.24 0.30 0.00 -0.02 0.00 0.00 41.12 40.16 3ihb n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ihb n ALA 56 N 7.70 2.39 -0.04 2.24 0.00 -1.26 -3.77 120.51 127.77 3ihb n ALA 56 Ca 0.50 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3ihb n ALA 56 Cb 0.41 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3ihb n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ihb n ASP 57 N 1.59 1.92 -4.66 0.00 8.00 -1.26 -3.11 116.55 119.02 3ihb n ASP 57 Ca 0.23 -1.96 -0.39 0.00 0.71 0.00 0.00 54.79 53.38 3ihb n ASP 57 Cb 0.61 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.64 3ihb n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ihb s VAL 58 N -0.96 5.08 0.41 2.53 1.01 -1.26 -4.95 120.40 122.26 3ihb s VAL 58 Ca 0.00 1.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 3ihb s VAL 58 Cb 0.00 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 3ihb s VAL 58 CO 0.00 0.16 1.00 -1.61 0.00 0.00 0.00 175.10 174.64 3ihb s GLU 59 N 1.74 4.19 0.06 2.72 2.02 -1.26 -4.23 118.70 123.93 3ihb s GLU 59 Ca 0.25 1.32 -0.22 0.00 0.02 0.00 0.00 54.97 56.34 3ihb s GLU 59 Cb -0.16 -2.38 0.05 0.00 0.10 0.00 0.00 34.13 31.75 3ihb s GLU 59 CO 0.10 -0.09 0.52 -0.59 0.02 0.00 0.00 175.26 175.21 3ihb s PHE 60 N -1.88 -0.41 0.21 1.61 -0.12 -0.00 -4.92 117.98 112.46 3ihb s PHE 60 Ca 0.60 0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 57.59 3ihb s PHE 60 Cb -0.16 0.35 -0.10 0.00 -0.63 0.00 0.00 43.02 42.48 3ihb s PHE 60 CO 0.21 -0.66 1.43 0.95 -0.05 0.00 0.00 175.22 177.09 3ihb s THR 61 N -2.62 2.83 0.08 -4.49 -4.23 -1.26 -1.78 115.64 104.17 3ihb s THR 61 Ca -0.04 0.67 0.22 0.00 -1.18 0.00 0.00 61.69 61.36 3ihb s THR 61 Cb -0.00 -3.43 0.21 0.00 1.34 0.00 0.00 72.50 70.62 3ihb s THR 61 CO -0.03 0.09 1.76 -0.29 -0.54 0.00 0.00 174.62 175.61 3ihb h ILE 62 N 3.73 0.60 0.00 2.99 2.10 -1.29 -3.41 117.51 122.22 3ihb h ILE 62 Ca -0.45 -1.29 0.00 0.00 1.08 0.00 0.00 64.86 64.21 3ihb h ILE 62 Cb 1.21 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 38.82 3ihb h ILE 62 CO 0.81 0.26 0.00 0.00 -1.08 0.00 0.00 178.15 178.13 3ihb n GLN 63 N -3.37 0.00 -0.30 2.19 1.13 -0.04 -1.71 117.38 115.28 3ihb n GLN 63 Ca 0.00 0.00 0.27 0.00 -1.94 0.00 0.00 57.00 55.34 3ihb n GLN 63 Cb 0.48 0.00 0.61 0.00 0.11 0.00 0.00 30.24 31.44 3ihb n GLN 63 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3ihb h SER 64 N 0.88 0.25 0.05 1.08 0.02 -1.88 0.14 113.55 114.09 3ihb h SER 64 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3ihb h SER 64 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3ihb h SER 64 CO 0.00 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 3ihb n ALA 65 N -2.59 1.23 0.11 3.77 0.00 -0.69 -0.96 120.51 121.36 3ihb n ALA 65 Ca 0.24 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.71 3ihb n ALA 65 Cb 0.99 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 19.41 3ihb n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ihb h SER 66 N 0.00 0.00 -0.85 0.00 4.64 -0.86 -3.38 113.55 113.10 3ihb h SER 66 Ca 0.00 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 3ihb h SER 66 Cb 0.03 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.99 3ihb h SER 66 CO 0.00 0.40 0.31 0.11 -0.87 0.00 0.00 176.83 176.77 3ihb h LYS 67 N 0.00 0.33 0.00 4.77 1.57 -1.22 -0.25 116.57 121.77 3ihb h LYS 67 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3ihb h LYS 67 Cb 1.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3ihb h LYS 67 CO 0.04 0.22 0.00 -1.00 -0.57 0.00 0.00 179.45 178.14 3ihb h PRO 68 N 0.34 0.00 0.14 3.15 0.13 -1.78 -2.80 132.00 131.18 3ihb h PRO 68 Ca 0.52 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.33 3ihb h PRO 68 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3ihb h PRO 68 CO -0.54 0.00 -1.54 0.74 -0.23 0.00 0.00 178.00 176.43 3ihb h PHE 69 N 0.00 0.54 0.00 1.56 -1.00 -1.30 -2.89 116.94 113.85 3ihb h PHE 69 Ca 0.00 -0.39 -0.15 0.00 2.81 0.00 0.00 57.97 60.24 3ihb h PHE 69 Cb 0.47 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 3ihb h PHE 69 CO 0.00 1.43 -0.70 1.79 -1.61 0.00 0.00 178.31 179.22 3ihb h THR 70 N 0.08 1.47 -0.41 -1.55 1.35 -1.50 -2.41 112.91 109.94 3ihb h THR 70 Ca -0.25 -2.44 -0.05 0.00 -0.55 0.00 0.00 66.41 63.12 3ihb h THR 70 Cb 2.04 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 70.77 3ihb h THR 70 CO 0.18 0.69 0.05 0.22 -0.25 0.00 0.00 175.52 176.41 3ihb h TYR 71 N 0.00 0.74 -0.28 4.73 3.20 -1.59 0.59 116.97 124.36 3ihb h TYR 71 Ca -0.01 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.78 3ihb h TYR 71 Cb 1.27 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 3ihb h TYR 71 CO 0.00 0.72 0.12 0.00 -1.64 0.00 0.00 178.16 177.37 3ihb h ALA 72 N 0.92 0.33 -0.51 1.82 0.00 -1.33 -1.03 119.26 119.45 3ihb h ALA 72 Ca 0.12 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3ihb h ALA 72 Cb 0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ihb h ALA 72 CO 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 179.25 178.97 3ihb h ALA 73 N 1.15 1.01 -0.59 0.00 0.00 -1.18 -2.32 119.26 117.34 3ihb h ALA 73 Ca 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3ihb h ALA 73 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3ihb h ALA 73 CO -0.10 0.61 0.21 0.00 0.00 0.00 0.00 179.25 179.98 3ihb h ALA 74 N 1.17 0.77 -0.75 0.00 0.00 -0.50 0.13 119.26 120.08 3ihb h ALA 74 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ihb h ALA 74 Cb 0.50 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3ihb h ALA 74 CO 0.03 0.40 0.50 -0.07 0.00 0.00 0.00 179.25 180.11 3ihb h LEU 75 N 0.82 0.87 -0.37 0.00 3.38 -0.91 -0.06 115.31 119.04 3ihb h LEU 75 Ca 0.19 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 3ihb h LEU 75 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ihb h LEU 75 CO -0.01 0.63 -0.68 0.58 0.09 0.00 0.00 178.44 179.05 3ihb h VAL 76 N 1.02 1.33 0.00 1.22 2.07 -1.06 0.32 116.25 121.15 3ihb h VAL 76 Ca 0.28 -1.99 -0.14 0.00 0.82 0.00 0.00 66.70 65.67 3ihb h VAL 76 Cb -0.11 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3ihb h VAL 76 CO -0.06 0.61 -0.68 0.44 0.02 0.00 0.00 177.57 177.90 3ihb h ASP 77 N 0.40 0.00 0.00 0.57 3.32 -0.46 -3.39 116.42 116.86 3ihb h ASP 77 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ihb h ASP 77 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3ihb h ASP 77 CO 0.13 0.68 -0.97 0.54 -1.72 0.00 0.00 179.24 177.90 3ihb n ARG 78 N -3.46 1.23 0.00 3.56 5.12 -0.06 -4.88 116.66 118.17 3ihb n ARG 78 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3ihb n ARG 78 Cb 0.74 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 3ihb n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ihb n GLY 79 N 2.55 0.69 0.20 -0.13 0.00 0.10 -4.45 105.19 104.16 3ihb n GLY 79 Ca 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 3ihb n GLY 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ihb h PHE 80 N 0.00 0.02 -0.54 1.61 -1.00 -1.92 -2.86 116.94 112.24 3ihb h PHE 80 Ca 0.00 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.91 3ihb h PHE 80 Cb 0.00 0.07 -0.07 0.00 3.61 0.00 0.00 35.95 39.56 3ihb h PHE 80 CO 0.00 -0.09 0.13 0.00 -1.61 0.00 0.00 178.31 176.74 3ihb h ALA 81 N 1.43 0.64 -0.41 2.45 0.00 -1.96 0.37 119.26 121.77 3ihb h ALA 81 Ca 0.25 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 3ihb h ALA 81 Cb 0.37 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ihb h ALA 81 CO -0.39 -0.28 -0.25 0.00 0.00 0.00 0.00 179.25 178.33 3ihb h ALA 82 N 1.41 0.58 -0.14 0.00 0.00 -1.74 -2.97 119.26 116.41 3ihb h ALA 82 Ca 0.27 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3ihb h ALA 82 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ihb h ALA 82 CO -0.34 0.58 -0.23 0.28 0.00 0.00 0.00 179.25 179.55 3ihb h VAL 83 N 0.71 1.37 0.00 0.00 2.07 -1.23 -3.16 116.25 116.00 3ihb h VAL 83 Ca 0.09 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3ihb h VAL 83 Cb 0.82 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3ihb h VAL 83 CO 0.07 0.44 -0.02 0.44 0.02 0.00 0.00 177.57 178.51 3ihb h ASP 84 N 0.00 0.00 1.07 0.57 3.32 -0.33 0.59 116.42 121.65 3ihb h ASP 84 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ihb h ASP 84 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3ihb h ASP 84 CO 0.05 0.02 0.00 -1.14 -1.72 0.00 0.00 179.24 176.46 3ihb n ARG 85 N -3.24 0.21 -0.03 3.56 0.63 -1.12 -3.59 116.66 113.09 3ihb n ARG 85 Ca -0.02 0.31 -0.01 0.00 -0.92 0.00 0.00 57.85 57.21 3ihb n ARG 85 Cb 0.17 -1.82 -0.06 0.00 0.45 0.00 0.00 32.46 31.20 3ihb n ARG 85 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3ihb n GLN 86 N -2.20 1.84 -4.67 -0.14 1.13 0.00 -4.78 117.38 108.57 3ihb n GLN 86 Ca 0.04 -0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.80 3ihb n GLN 86 Cb 0.32 -1.19 -0.17 0.00 0.11 0.00 0.00 30.24 29.31 3ihb n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3ihb s VAL 87 N -2.32 1.43 0.01 5.09 1.01 -0.06 -3.75 120.40 121.80 3ihb s VAL 87 Ca -0.03 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 3ihb s VAL 87 Cb 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3ihb s VAL 87 CO 0.32 0.42 0.01 0.61 0.00 0.00 0.00 175.10 176.46 3ihb n GLY 88 N 3.89 -0.59 0.16 4.51 0.00 0.25 -4.43 105.19 108.98 3ihb n GLY 88 Ca -0.21 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.09 3ihb n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ihb n LEU 89 N 0.00 1.08 -4.85 0.99 4.77 0.22 -4.02 117.00 115.19 3ihb n LEU 89 Ca 0.00 -1.56 -0.37 0.00 -0.03 0.00 0.00 56.01 54.05 3ihb n LEU 89 Cb 0.00 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 3ihb n LEU 89 CO 0.00 0.37 -0.15 0.20 -1.33 0.00 0.00 177.39 176.49 3ihb s ASN 90 N -1.29 6.40 0.80 -1.43 0.01 -0.64 -4.96 114.94 113.83 3ihb s ASN 90 Ca 0.09 0.48 -0.11 0.00 -0.71 0.00 0.00 52.86 52.61 3ihb s ASN 90 Cb 0.08 -2.09 0.07 0.00 0.41 0.00 0.00 41.25 39.72 3ihb s ASN 90 CO 0.01 0.37 1.09 -2.16 -1.51 0.00 0.00 177.10 174.90 3ihb s PRO 91 N -0.82 2.05 -0.10 -0.60 0.04 -1.26 -3.98 135.00 130.33 3ihb s PRO 91 Ca 0.15 1.10 -0.33 0.00 0.04 0.00 0.00 61.00 61.96 3ihb s PRO 91 Cb -0.12 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.68 3ihb s PRO 91 CO 0.04 -1.77 1.42 -1.54 0.04 0.00 0.00 177.00 175.19 3ihb s SER 92 N -3.40 -0.01 0.66 6.66 1.04 -1.26 -5.02 113.70 112.37 3ihb s SER 92 Ca 0.62 -0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.92 3ihb s SER 92 Cb -0.17 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3ihb s SER 92 CO 0.56 -0.05 1.03 -0.83 0.98 0.00 0.00 173.24 174.93 3ihb s GLY 93 N -2.95 1.62 0.50 7.32 0.00 -1.26 -4.14 107.32 108.42 3ihb s GLY 93 Ca 0.15 -0.36 0.29 0.00 0.00 0.00 0.00 44.72 44.79 3ihb s GLY 93 CO -0.06 -0.04 1.94 -2.09 0.00 0.00 0.00 173.10 172.84 3ihb h GLU 94 N -0.46 0.00 -6.52 2.90 4.57 -2.00 -3.43 114.58 109.65 3ihb h GLU 94 Ca -0.45 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.21 3ihb h GLU 94 Cb 1.24 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.87 3ihb h GLU 94 CO 0.63 0.11 1.12 0.00 -1.18 0.00 0.00 179.01 179.68 3ihb s ALA 95 N -3.73 3.77 -0.02 2.92 0.00 -1.26 -4.92 121.76 118.52 3ihb s ALA 95 Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 51.96 53.21 3ihb s ALA 95 Cb 0.10 -3.77 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3ihb s ALA 95 CO 0.58 -1.23 0.64 0.12 0.00 0.00 0.00 175.76 175.87 3ihb s PHE 96 N 2.73 3.65 -0.14 0.00 5.36 -1.26 -5.07 117.98 123.25 3ihb s PHE 96 Ca 0.81 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 58.02 3ihb s PHE 96 Cb -0.46 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.55 3ihb s PHE 96 CO 0.37 0.26 -0.17 1.21 -1.46 0.00 0.00 175.22 175.43 3ihb s ASN 97 N 0.13 2.74 0.47 6.13 3.84 -1.26 -5.01 114.94 121.99 3ihb s ASN 97 Ca 0.33 -0.51 0.18 0.00 0.21 0.00 0.00 52.86 53.08 3ihb s ASN 97 Cb -0.18 -1.24 1.18 0.00 -0.55 0.00 0.00 41.25 40.46 3ihb s ASN 97 CO 0.18 -0.00 1.99 -0.08 -2.79 0.00 0.00 177.10 176.40 3ihb h GLU 98 N 7.70 0.23 -0.22 0.43 4.81 -2.03 -1.43 114.58 124.07 3ihb h GLU 98 Ca -0.36 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.92 3ihb h GLU 98 Cb 1.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3ihb h GLU 98 CO 0.53 0.15 0.38 -0.07 -0.73 0.00 0.00 179.01 179.27 3ihb h LEU 99 N 0.23 0.00 -1.16 1.64 3.38 -2.00 -0.05 115.31 117.36 3ihb h LEU 99 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ihb h LEU 99 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ihb h LEU 99 CO -0.05 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.25 3ihb h SER 100 N 0.00 0.00 0.00 -0.43 4.64 -1.64 -2.98 113.55 113.14 3ihb h SER 100 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ihb h SER 100 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3ihb h SER 100 CO -0.00 0.00 -1.83 0.18 -0.87 0.00 0.00 176.83 174.31 3ihb n LEU 101 N -2.75 0.12 0.23 5.97 4.77 -0.04 -4.27 117.00 121.03 3ihb n LEU 101 Ca 0.01 -0.06 0.15 0.00 -0.03 0.00 0.00 56.01 56.08 3ihb n LEU 101 Cb 0.28 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.97 3ihb n LEU 101 CO 0.24 0.03 0.94 -0.33 -1.33 0.00 0.00 177.39 176.95 3ihb h GLU 102 N 0.00 0.00 -7.08 3.23 5.08 -1.43 -3.19 114.58 111.19 3ihb h GLU 102 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3ihb h GLU 102 Cb 0.90 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.33 3ihb h GLU 102 CO 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 179.01 178.24 3ihb n ALA 103 N -1.99 -0.07 0.00 3.43 0.00 -1.24 -4.76 120.51 115.88 3ihb n ALA 103 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ihb n ALA 103 Cb 0.29 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3ihb n ALA 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ihb n GLU 104 N -2.50 0.00 -0.06 0.00 4.71 -1.26 -0.45 120.64 121.07 3ihb n GLU 104 Ca 0.13 0.33 -0.14 0.00 -0.01 0.00 0.00 57.16 57.48 3ihb n GLU 104 Cb 0.50 -1.66 -0.12 0.00 -1.01 0.00 0.00 31.44 29.15 3ihb n GLU 104 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3ihb h SER 105 N 0.00 -0.00 -4.67 1.62 0.02 -1.86 -3.48 113.55 105.17 3ihb h SER 105 Ca 0.00 -0.89 -0.20 0.00 -0.84 0.00 0.00 61.79 59.86 3ihb h SER 105 Cb 0.32 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.99 3ihb h SER 105 CO 0.00 0.90 -0.58 1.41 -1.14 0.00 0.00 176.83 177.42 3ihb n HIS 106 N -4.66 -1.67 -3.61 3.45 8.25 0.40 -4.97 115.22 112.42 3ihb n HIS 106 Ca -0.10 0.63 -0.16 0.00 -0.26 0.00 0.00 57.72 57.84 3ihb n HIS 106 Cb 0.43 -3.89 -0.07 0.00 1.12 0.00 0.00 29.99 27.58 3ihb n HIS 106 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ihb s ARG 107 N -4.41 0.88 0.65 -0.41 1.70 -1.26 -4.79 118.95 111.31 3ihb s ARG 107 Ca 0.19 0.52 -0.18 0.00 -0.47 0.00 0.00 55.73 55.79 3ihb s ARG 107 Cb -0.02 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 3ihb s ARG 107 CO 0.52 -0.20 1.24 -1.25 -1.08 0.00 0.00 175.30 174.53 3ihb s PRO 108 N -0.47 2.60 0.19 3.89 0.04 -1.25 -4.53 135.00 135.48 3ihb s PRO 108 Ca -0.06 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 3ihb s PRO 108 Cb -0.03 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.81 3ihb s PRO 108 CO 0.05 -1.52 1.62 -0.44 0.04 0.00 0.00 177.00 176.76 3ihb h ASP 109 N 0.46 -0.70 -5.22 6.66 3.32 -1.86 0.72 116.42 119.81 3ihb h ASP 109 Ca -0.50 0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 3ihb h ASP 109 Cb 1.31 0.41 -0.04 0.00 0.22 0.00 0.00 39.33 41.23 3ihb h ASP 109 CO 0.53 -0.23 0.07 0.54 -1.72 0.00 0.00 179.24 178.43 3ihb s ASN 110 N -5.19 0.35 0.00 6.45 4.22 -1.26 -0.61 114.94 118.90 3ihb s ASN 110 Ca -0.14 -1.24 0.29 0.00 -2.14 0.00 0.00 52.86 49.63 3ihb s ASN 110 Cb 0.17 0.76 1.37 0.00 1.28 0.00 0.00 41.25 44.84 3ihb s ASN 110 CO 0.72 -1.49 1.94 0.00 -2.04 0.00 0.00 177.10 176.22 3ihb n ALA 111 N -0.53 2.70 0.08 3.54 0.00 -1.26 -3.73 120.51 121.30 3ihb n ALA 111 Ca -0.04 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.20 3ihb n ALA 111 Cb 0.61 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 3ihb n ALA 111 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ihb h MET 112 N 0.60 0.00 -6.69 0.00 2.86 -1.92 -3.36 114.93 106.42 3ihb h MET 112 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 3ihb h MET 112 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3ihb h MET 112 CO 0.00 0.14 0.04 0.96 1.06 0.00 0.00 176.91 179.11 3ihb s ILE 113 N -3.16 4.80 0.17 -1.22 -4.36 -1.25 -4.91 121.20 111.27 3ihb s ILE 113 Ca -0.01 0.64 -0.20 0.00 -0.26 0.00 0.00 60.65 60.82 3ihb s ILE 113 Cb 0.09 -3.67 0.09 0.00 1.25 0.00 0.00 42.46 40.22 3ihb s ILE 113 CO 0.79 -0.31 1.62 0.78 0.24 0.00 0.00 174.94 178.07 3ihb h ASN 114 N 1.86 -0.81 -0.97 4.36 4.21 -1.90 -0.27 115.58 122.06 3ihb h ASN 114 Ca -0.47 0.17 0.15 0.00 1.21 0.00 0.00 56.30 57.35 3ihb h ASN 114 Cb 1.18 0.41 -0.09 0.00 -1.12 0.00 0.00 38.32 38.70 3ihb h ASN 114 CO 0.65 -0.27 0.58 0.00 -1.29 0.00 0.00 177.43 177.11 3ihb h ALA 115 N 1.01 1.51 -0.09 -0.83 0.00 -1.94 -0.21 119.26 118.70 3ihb h ALA 115 Ca 0.19 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3ihb h ALA 115 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ihb h ALA 115 CO -0.50 0.07 -0.57 0.78 0.00 0.00 0.00 179.25 179.03 3ihb h GLY 116 N 0.84 0.31 1.91 0.00 0.00 -1.30 -3.04 103.07 101.79 3ihb h GLY 116 Ca 0.51 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 3ihb h GLY 116 CO -0.32 0.33 -0.52 0.00 0.00 0.00 0.00 176.54 176.03 3ihb h ALA 117 N 1.18 1.07 -0.01 3.60 0.00 0.55 -2.07 119.26 123.59 3ihb h ALA 117 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3ihb h ALA 117 Cb 1.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3ihb h ALA 117 CO 0.09 0.66 -0.56 -0.07 0.00 0.00 0.00 179.25 179.37 3ihb h LEU 118 N 0.07 0.03 -0.15 0.00 3.38 -1.07 -1.84 115.31 115.72 3ihb h LEU 118 Ca -0.00 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 3ihb h LEU 118 Cb 0.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3ihb h LEU 118 CO 0.07 0.59 -0.97 0.00 0.09 0.00 0.00 178.44 178.22 3ihb h ALA 119 N 1.42 0.35 -0.29 1.53 0.00 -1.39 -2.87 119.26 118.02 3ihb h ALA 119 Ca -0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 3ihb h ALA 119 Cb 1.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ihb h ALA 119 CO 0.07 0.85 0.09 0.28 0.00 0.00 0.00 179.25 180.54 3ihb h VAL 120 N 0.19 1.20 -0.18 0.00 2.07 -1.17 -2.95 116.25 115.41 3ihb h VAL 120 Ca -0.08 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.80 3ihb h VAL 120 Cb 1.61 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 3ihb h VAL 120 CO 0.16 0.22 0.08 -0.74 0.02 0.00 0.00 177.57 177.31 3ihb h HIS 121 N 0.30 0.15 -0.73 1.57 6.17 -1.36 -2.15 115.15 119.10 3ihb h HIS 121 Ca 0.09 0.01 0.21 0.00 0.71 0.00 0.00 60.37 61.39 3ihb h HIS 121 Cb 0.25 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.11 3ihb h HIS 121 CO 0.01 0.08 0.55 0.37 0.71 0.00 0.00 177.93 179.64 3ihb h GLN 122 N 0.18 0.00 0.00 5.26 5.75 -1.44 -0.50 115.11 124.36 3ihb h GLN 122 Ca 0.08 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3ihb h GLN 122 Cb 0.03 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.58 3ihb h GLN 122 CO -0.06 0.00 -0.67 1.28 -2.65 0.00 0.00 178.83 176.73 3ihb n LEU 123 N -4.23 0.61 -0.24 -2.39 4.77 -0.84 -4.74 117.00 109.94 3ihb n LEU 123 Ca 0.15 0.09 0.18 0.00 -0.03 0.00 0.00 56.01 56.40 3ihb n LEU 123 Cb 0.82 -0.19 0.34 0.00 -2.33 0.00 0.00 43.42 42.07 3ihb n LEU 123 CO 0.37 0.03 0.69 0.18 -1.33 0.00 0.00 177.39 177.33 3ihb n LEU 124 N -1.86 0.12 0.00 2.23 4.77 -0.20 -4.03 117.00 118.04 3ihb n LEU 124 Ca 0.04 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 3ihb n LEU 124 Cb 0.40 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3ihb n LEU 124 CO 0.37 -1.31 -0.45 0.52 -1.33 0.00 0.00 177.39 175.19 3ihb n VAL 125 N -4.77 0.00 0.00 4.08 0.31 -1.26 -4.68 118.33 112.01 3ihb n VAL 125 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 3ihb n VAL 125 Cb 0.79 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 3ihb n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ihb n GLY 126 N 3.00 0.14 0.24 2.92 0.00 -1.26 -4.84 105.19 105.39 3ihb n GLY 126 Ca 0.00 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.25 3ihb n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ihb h PRO 127 N 0.00 0.00 -0.43 1.61 0.11 -1.92 -3.00 132.00 128.37 3ihb h PRO 127 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3ihb h PRO 127 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 3ihb h PRO 127 CO 0.00 0.17 0.06 0.39 -0.21 0.00 0.00 178.00 178.41 3ihb n GLU 128 N -3.47 3.05 -3.09 1.05 1.02 -1.26 -4.99 120.64 112.95 3ihb n GLU 128 Ca -0.01 -3.00 -0.35 0.00 -0.02 0.00 0.00 57.16 53.79 3ihb n GLU 128 Cb 0.34 -1.97 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 3ihb n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ihb s ALA 129 N -2.96 3.35 0.72 0.62 0.00 -1.14 -5.07 121.76 117.29 3ihb s ALA 129 Ca 0.47 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.49 3ihb s ALA 129 Cb 0.39 -2.83 0.06 0.00 0.00 0.00 0.00 23.12 20.74 3ihb s ALA 129 CO 0.09 0.32 1.05 -1.54 0.00 0.00 0.00 175.76 175.67 3ihb s SER 130 N -1.92 4.81 0.23 0.00 1.04 -1.26 -4.93 113.70 111.66 3ihb s SER 130 Ca 0.49 0.56 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 3ihb s SER 130 Cb -0.14 -1.20 0.32 0.00 0.10 0.00 0.00 66.02 65.11 3ihb s SER 130 CO 0.19 -1.63 1.83 -0.09 0.98 0.00 0.00 173.24 174.52 3ihb h ARG 131 N -0.68 0.81 -0.43 4.02 2.43 -1.97 -2.62 114.38 115.94 3ihb h ARG 131 Ca -0.45 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 3ihb h ARG 131 Cb 1.31 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3ihb h ARG 131 CO 0.62 0.53 -0.12 -0.22 -1.51 0.00 0.00 179.97 179.27 3ihb h LYS 132 N 0.83 0.84 -0.48 0.20 3.64 -2.00 -2.55 116.57 117.05 3ihb h LYS 132 Ca 0.36 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3ihb h LYS 132 Cb 0.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3ihb h LYS 132 CO -0.20 0.96 0.15 0.93 -2.27 0.00 0.00 179.45 179.03 3ihb h GLU 133 N 0.67 0.71 -0.11 1.90 5.08 -1.86 -2.50 114.58 118.46 3ihb h GLU 133 Ca 0.11 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3ihb h GLU 133 Cb 0.66 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ihb h GLU 133 CO 0.05 0.61 -0.69 0.00 -1.00 0.00 0.00 179.01 177.98 3ihb h ARG 134 N 0.69 0.49 0.24 2.33 3.08 -1.39 -2.15 114.38 117.69 3ihb h ARG 134 Ca 0.16 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3ihb h ARG 134 Cb 0.20 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3ihb h ARG 134 CO -0.01 1.01 -0.12 1.25 -1.07 0.00 0.00 179.97 181.03 3ihb h LEU 135 N 0.35 -0.28 -0.14 3.04 6.46 -1.15 -2.49 115.31 121.10 3ihb h LEU 135 Ca -0.02 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 3ihb h LEU 135 Cb 1.27 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 3ihb h LEU 135 CO 0.12 -0.02 0.00 -0.90 -0.62 0.00 0.00 178.44 177.03 3ihb n ASP 136 N -5.14 0.30 0.08 1.25 5.68 -0.97 -1.63 116.55 116.13 3ihb n ASP 136 Ca -0.09 0.55 -0.06 0.00 -0.50 0.00 0.00 54.79 54.68 3ihb n ASP 136 Cb 0.22 -0.62 0.09 0.00 -1.14 0.00 0.00 41.12 39.66 3ihb n ASP 136 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3ihb h ARG 137 N 0.00 0.25 0.28 0.11 9.65 -1.18 0.24 114.38 123.73 3ihb h ARG 137 Ca 0.00 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 3ihb h ARG 137 Cb 0.45 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3ihb h ARG 137 CO 0.00 0.83 -0.14 0.00 2.80 0.00 0.00 179.97 183.46 3ihb h ALA 138 N 1.12 -0.38 -0.53 2.80 0.00 -0.88 -2.22 119.26 119.17 3ihb h ALA 138 Ca -0.01 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.80 3ihb h ALA 138 Cb 1.20 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3ihb h ALA 138 CO 0.10 -0.48 0.36 0.28 0.00 0.00 0.00 179.25 179.52 3ihb h VAL 139 N -0.85 0.86 0.06 0.00 2.07 -1.25 -2.56 116.25 114.58 3ihb h VAL 139 Ca -0.04 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3ihb h VAL 139 Cb 0.52 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3ihb h VAL 139 CO 0.06 0.05 -0.03 -0.08 0.02 0.00 0.00 177.57 177.59 3ihb h GLU 140 N 0.27 -0.08 -0.47 1.57 4.81 -0.39 -1.64 114.58 118.65 3ihb h GLU 140 Ca 0.25 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3ihb h GLU 140 Cb 0.62 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3ihb h GLU 140 CO -0.05 0.29 0.30 0.97 -0.73 0.00 0.00 179.01 179.79 3ihb h ILE 141 N -0.47 1.09 -0.68 2.32 6.09 -1.01 0.15 117.51 125.01 3ihb h ILE 141 Ca -0.01 -0.21 -0.03 0.00 -1.37 0.00 0.00 64.86 63.24 3ihb h ILE 141 Cb 0.41 0.43 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 3ihb h ILE 141 CO 0.01 0.11 0.29 0.24 -3.07 0.00 0.00 178.15 175.74 3ihb h MET 142 N 0.61 1.00 -0.71 2.19 2.86 -1.54 -2.78 114.93 116.56 3ihb h MET 142 Ca 0.18 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3ihb h MET 142 Cb -0.04 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 3ihb h MET 142 CO -0.06 0.82 0.22 0.77 1.06 0.00 0.00 176.91 179.71 3ihb h SER 143 N 0.95 1.04 0.31 1.22 0.02 -0.78 -1.15 113.55 115.15 3ihb h SER 143 Ca 0.23 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3ihb h SER 143 Cb 0.18 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3ihb h SER 143 CO -0.02 0.97 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.20 3ihb h LEU 144 N 1.06 0.09 0.03 5.07 3.38 -0.50 -0.91 115.31 123.53 3ihb h LEU 144 Ca 0.23 -0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 3ihb h LEU 144 Cb 0.31 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3ihb h LEU 144 CO -0.01 0.46 -1.49 -0.07 0.09 0.00 0.00 178.44 177.42 3ihb h LEU 145 N 0.08 0.08 -0.77 1.67 3.38 -1.33 -3.26 115.31 115.16 3ihb h LEU 145 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ihb h LEU 145 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ihb h LEU 145 CO 0.05 1.12 0.00 0.00 0.09 0.00 0.00 178.44 179.70 3ihb h ALA 146 N 0.87 1.00 0.00 1.53 0.00 -1.09 -3.37 119.26 118.20 3ihb h ALA 146 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ihb h ALA 146 Cb 1.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3ihb h ALA 146 CO 0.11 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3ihb n GLY 147 N 0.44 0.65 3.38 0.00 0.00 -0.39 -4.93 105.19 104.34 3ihb n GLY 147 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3ihb n GLY 147 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ihb s ARG 148 N -0.11 1.00 -0.11 1.61 1.70 -0.94 -5.02 118.95 117.08 3ihb s ARG 148 Ca 0.00 -0.22 -0.29 0.00 -0.47 0.00 0.00 55.73 54.75 3ihb s ARG 148 Cb 0.00 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 3ihb s ARG 148 CO 0.00 -0.35 1.80 0.50 -1.08 0.00 0.00 175.30 176.17 3ihb s ARG 149 N -2.31 3.89 0.49 3.89 3.52 -1.26 -4.50 118.95 122.66 3ihb s ARG 149 Ca -0.06 2.09 0.01 0.00 -0.13 0.00 0.00 55.73 57.64 3ihb s ARG 149 Cb -0.01 -4.10 0.01 0.00 -1.56 0.00 0.00 34.95 29.29 3ihb s ARG 149 CO -0.01 -1.20 0.71 -0.51 -0.81 0.00 0.00 175.30 173.48 3ihb s LEU 150 N 5.14 3.50 0.15 -0.88 1.43 -1.26 -5.08 118.68 121.67 3ihb s LEU 150 Ca 0.80 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 3ihb s LEU 150 Cb -0.33 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3ihb s LEU 150 CO 0.33 -0.89 -0.05 -0.44 0.23 0.00 0.00 176.35 175.54 3ihb s SER 151 N -4.31 1.39 -0.16 2.29 0.01 -1.26 -5.02 113.70 106.64 3ihb s SER 151 Ca 0.52 -1.09 -0.13 0.00 1.31 0.00 0.00 55.95 56.56 3ihb s SER 151 Cb -0.10 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.15 3ihb s SER 151 CO 0.38 -0.47 0.28 -0.69 0.41 0.00 0.00 173.24 173.14 3ihb s VAL 152 N -3.54 5.31 -0.88 3.43 1.01 -1.26 -1.03 120.40 123.43 3ihb s VAL 152 Ca 0.19 0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.47 3ihb s VAL 152 Cb 0.05 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.90 3ihb s VAL 152 CO 0.01 0.39 1.19 -0.62 0.00 0.00 0.00 175.10 176.07 3ihb s ASP 153 N 0.45 6.47 0.60 3.32 2.15 -0.43 -4.85 116.67 124.37 3ihb s ASP 153 Ca 0.16 -1.57 0.31 0.00 0.43 0.00 0.00 52.55 51.88 3ihb s ASP 153 Cb -0.13 -2.46 1.81 0.00 -0.30 0.00 0.00 42.92 41.84 3ihb s ASP 153 CO 0.03 -1.31 2.19 -0.50 -0.17 0.00 0.00 175.17 175.42 3ihb h TRP 154 N 9.32 0.00 -0.75 -5.34 4.06 -1.96 -1.30 115.95 119.98 3ihb h TRP 154 Ca 0.05 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 3ihb h TRP 154 Cb 1.03 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.16 3ihb h TRP 154 CO 1.15 0.00 0.33 1.49 -3.56 0.00 0.00 178.44 177.85 3ihb h GLU 155 N 0.00 1.10 -0.12 0.49 4.81 -1.98 0.37 114.58 119.24 3ihb h GLU 155 Ca 0.03 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 3ihb h GLU 155 Cb 0.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3ihb h GLU 155 CO -0.00 0.87 -0.45 1.15 -0.73 0.00 0.00 179.01 179.86 3ihb h THR 156 N 1.06 1.36 -0.22 0.32 2.02 -1.66 -2.32 112.91 113.47 3ihb h THR 156 Ca 0.25 -1.75 0.06 0.00 0.77 0.00 0.00 66.41 65.74 3ihb h THR 156 Cb 0.16 2.12 -0.07 0.00 -1.74 0.00 0.00 68.15 68.62 3ihb h THR 156 CO -0.03 0.53 -0.28 0.22 0.37 0.00 0.00 175.52 176.33 3ihb h TYR 157 N 0.13 -0.76 -0.39 3.16 3.20 -1.10 0.27 116.97 121.49 3ihb h TYR 157 Ca -0.02 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3ihb h TYR 157 Cb 1.08 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 3ihb h TYR 157 CO 0.11 -0.35 0.16 0.93 -1.64 0.00 0.00 178.16 177.37 3ihb h GLU 158 N -0.30 0.57 -0.66 1.82 4.39 -0.99 0.38 114.58 119.79 3ihb h GLU 158 Ca 0.13 -0.10 0.09 0.00 0.34 0.00 0.00 59.36 59.82 3ihb h GLU 158 Cb 0.50 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 3ihb h GLU 158 CO -0.39 0.53 0.30 1.03 -1.16 0.00 0.00 179.01 179.32 3ihb h SER 159 N 0.48 0.35 0.53 1.42 0.87 -0.79 -2.34 113.55 114.08 3ihb h SER 159 Ca 0.13 0.07 -0.26 0.00 -1.23 0.00 0.00 61.79 60.50 3ihb h SER 159 Cb 0.17 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3ihb h SER 159 CO -0.01 0.20 -1.16 -0.08 -0.53 0.00 0.00 176.83 175.25 3ihb h GLU 160 N 0.51 0.32 0.00 2.24 4.81 -0.17 -3.25 114.58 119.05 3ihb h GLU 160 Ca 0.33 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3ihb h GLU 160 Cb 0.38 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3ihb h GLU 160 CO -0.29 1.19 -0.02 0.52 -0.73 0.00 0.00 179.01 179.69 3ihb h MET 161 N 0.12 0.00 0.00 1.92 2.86 0.16 -1.26 114.93 118.73 3ihb h MET 161 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3ihb h MET 161 Cb 1.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.52 3ihb h MET 161 CO 0.19 0.02 0.00 0.00 1.06 0.00 0.00 176.91 178.18 3ihb h ALA 162 N 1.98 1.00 -1.26 6.32 0.00 -1.46 -3.32 119.26 122.53 3ihb h ALA 162 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3ihb h ALA 162 Cb 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.44 3ihb h ALA 162 CO 0.00 0.00 -0.97 1.33 0.00 0.00 0.00 179.25 179.62 3ihb n VAL 163 N -3.08 1.68 -1.23 0.00 0.24 -0.50 -4.88 118.33 110.56 3ihb n VAL 163 Ca 0.04 -3.99 -0.10 0.00 -2.04 0.00 0.00 64.34 58.25 3ihb n VAL 163 Cb 0.50 -0.29 0.23 0.00 -1.47 0.00 0.00 33.84 32.80 3ihb n VAL 163 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3ihb n SER 164 N -0.27 3.66 -0.27 -1.34 7.64 -1.06 -4.68 113.62 117.30 3ihb n SER 164 Ca 0.24 -3.50 -0.00 0.00 1.01 0.00 0.00 58.87 56.61 3ihb n SER 164 Cb 0.74 -0.72 0.12 0.00 -1.01 0.00 0.00 64.21 63.34 3ihb n SER 164 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ihb h ASP 165 N 1.51 0.66 0.29 6.43 3.32 -1.90 -1.06 116.42 125.67 3ihb h ASP 165 Ca 0.35 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 3ihb h ASP 165 Cb 2.23 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.67 3ihb h ASP 165 CO 0.71 0.42 -0.15 -0.09 -1.72 0.00 0.00 179.24 178.41 3ihb h ARG 166 N 0.79 -0.39 0.00 3.56 2.43 -1.99 0.79 114.38 119.57 3ihb h ARG 166 Ca 0.34 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 3ihb h ARG 166 Cb 0.21 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3ihb h ARG 166 CO -0.19 -0.26 -0.23 -0.91 -1.51 0.00 0.00 179.97 176.87 3ihb h ASN 167 N -0.40 0.00 -0.07 -3.80 2.35 -1.89 -0.94 115.58 110.83 3ihb h ASN 167 Ca -0.04 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3ihb h ASN 167 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3ihb h ASN 167 CO 0.05 0.23 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.65 3ihb h LEU 168 N 0.00 0.58 0.01 1.61 3.38 -0.80 0.18 115.31 120.26 3ihb h LEU 168 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ihb h LEU 168 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ihb h LEU 168 CO 0.03 0.88 -0.00 -1.28 0.09 0.00 0.00 178.44 178.16 3ihb h SER 169 N 0.47 -0.01 -0.53 -0.43 0.87 0.32 0.10 113.55 114.34 3ihb h SER 169 Ca 0.05 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3ihb h SER 169 Cb 0.82 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 3ihb h SER 169 CO 0.07 0.06 0.34 -0.07 -0.53 0.00 0.00 176.83 176.71 3ihb h LEU 170 N -0.08 0.58 -0.54 2.23 3.38 -0.92 -1.71 115.31 118.25 3ihb h LEU 170 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3ihb h LEU 170 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ihb h LEU 170 CO 0.00 0.42 0.12 0.00 0.09 0.00 0.00 178.44 179.07 3ihb h ALA 171 N 1.21 0.71 -0.72 1.53 0.00 -0.70 -0.86 119.26 120.42 3ihb h ALA 171 Ca 0.20 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ihb h ALA 171 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3ihb h ALA 171 CO -0.06 0.42 0.25 0.45 0.00 0.00 0.00 179.25 180.31 3ihb h HIS 172 N 0.77 1.14 -0.04 0.00 3.86 -0.58 -1.75 115.15 118.55 3ihb h HIS 172 Ca 0.17 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3ihb h HIS 172 Cb 0.36 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3ihb h HIS 172 CO 0.02 0.90 0.02 1.98 0.86 0.00 0.00 177.93 181.71 3ihb h MET 173 N 1.06 0.06 -0.67 2.45 -1.53 -1.12 -2.03 114.93 113.14 3ihb h MET 173 Ca 0.24 -0.01 0.15 0.00 -3.44 0.00 0.00 59.70 56.63 3ihb h MET 173 Cb 0.27 -0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.28 3ihb h MET 173 CO -0.01 0.20 0.46 -0.07 0.14 0.00 0.00 176.91 177.63 3ihb h LEU 174 N -0.10 0.25 -0.05 3.39 3.38 -0.99 -1.97 115.31 119.22 3ihb h LEU 174 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ihb h LEU 174 Cb 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ihb h LEU 174 CO -0.00 0.13 -0.04 0.03 0.09 0.00 0.00 178.44 178.65 3ihb h ARG 175 N 0.26 0.11 -0.99 1.13 3.08 -0.73 0.22 114.38 117.46 3ihb h ARG 175 Ca 0.32 -0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.54 3ihb h ARG 175 Cb 0.89 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.85 3ihb h ARG 175 CO -0.07 0.55 0.63 0.66 -1.07 0.00 0.00 179.97 180.67 3ihb h SER 176 N -0.33 0.57 -0.06 7.04 4.64 -0.68 0.53 113.55 125.25 3ihb h SER 176 Ca 0.01 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3ihb h SER 176 Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ihb h SER 176 CO 0.01 0.18 0.00 -1.22 -0.87 0.00 0.00 176.83 174.93 3ihb n TYR 177 N -4.66 0.07 -1.46 4.77 4.02 -1.03 -4.95 117.16 113.92 3ihb n TYR 177 Ca 0.23 -0.03 -0.03 0.00 -0.01 0.00 0.00 57.90 58.06 3ihb n TYR 177 Cb 0.71 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.03 3ihb n TYR 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ihb n GLY 178 N 1.12 0.46 0.10 2.72 0.00 0.18 -4.93 105.19 104.84 3ihb n GLY 178 Ca 0.18 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.38 3ihb n GLY 178 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ihb n VAL 179 N -3.35 0.84 -4.53 1.61 0.31 0.72 -4.83 118.33 109.10 3ihb n VAL 179 Ca -0.03 -0.61 -0.30 0.00 -0.01 0.00 0.00 64.34 63.39 3ihb n VAL 179 Cb 0.26 -0.49 -0.12 0.00 -0.91 0.00 0.00 33.84 32.57 3ihb n VAL 179 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ihb s LEU 180 N -5.49 2.58 -0.12 7.52 1.43 -1.18 -4.91 118.68 118.50 3ihb s LEU 180 Ca -0.02 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 3ihb s LEU 180 Cb 0.09 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 3ihb s LEU 180 CO 0.81 0.22 -0.15 0.00 0.23 0.00 0.00 176.35 177.46 3ihb n GLN 181 N 1.23 0.25 -1.11 1.70 3.00 -1.26 -4.57 117.38 116.63 3ihb n GLN 181 Ca -0.16 0.11 -0.30 0.00 -0.01 0.00 0.00 57.00 56.63 3ihb n GLN 181 Cb 0.52 -0.94 0.25 0.00 0.00 0.00 0.00 30.24 30.08 3ihb n GLN 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3ihb s ASP 182 N -6.04 0.75 0.60 1.08 -0.00 -1.26 -4.99 116.67 106.81 3ihb s ASP 182 Ca -0.17 0.52 -0.17 0.00 -0.00 0.00 0.00 52.55 52.73 3ihb s ASP 182 Cb 0.06 -0.68 -0.03 0.00 -0.00 0.00 0.00 42.92 42.28 3ihb s ASP 182 CO 0.21 -4.22 1.13 -0.94 -0.00 0.00 0.00 175.17 171.35 3ihb s SER 183 N -4.02 5.36 0.30 0.27 1.04 -1.26 -4.89 113.70 110.50 3ihb s SER 183 Ca 0.72 2.13 -0.02 0.00 0.48 0.00 0.00 55.95 59.26 3ihb s SER 183 Cb -0.08 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 63.92 3ihb s SER 183 CO 0.56 -1.46 1.96 0.00 0.98 0.00 0.00 173.24 175.28 3ihb h ALA 184 N 0.63 1.42 -0.27 5.32 0.00 -1.94 -2.00 119.26 122.42 3ihb h ALA 184 Ca -0.49 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3ihb h ALA 184 Cb 1.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3ihb h ALA 184 CO 0.55 0.53 0.07 1.49 0.00 0.00 0.00 179.25 181.89 3ihb h GLU 185 N 1.11 0.44 -0.34 0.00 4.22 -1.94 -1.73 114.58 116.33 3ihb h GLU 185 Ca 0.31 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 3ihb h GLU 185 Cb -0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3ihb h GLU 185 CO -0.07 0.52 0.18 1.49 -2.18 0.00 0.00 179.01 178.95 3ihb h GLU 186 N 0.27 0.47 -0.39 1.92 4.81 -1.83 -0.63 114.58 119.21 3ihb h GLU 186 Ca 0.09 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 3ihb h GLU 186 Cb 0.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3ihb h GLU 186 CO 0.00 0.40 -0.34 0.82 -0.73 0.00 0.00 179.01 179.16 3ihb h ILE 187 N 0.42 1.27 -0.72 2.32 1.08 -1.38 -2.55 117.51 117.95 3ihb h ILE 187 Ca 0.12 -1.51 -0.04 0.00 -0.39 0.00 0.00 64.86 63.04 3ihb h ILE 187 Cb 0.06 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 3ihb h ILE 187 CO -0.02 0.51 0.29 0.58 -0.69 0.00 0.00 178.15 178.82 3ihb h VAL 188 N 0.74 1.24 -0.50 1.67 2.07 -1.20 -2.11 116.25 118.17 3ihb h VAL 188 Ca 0.07 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3ihb h VAL 188 Cb 0.93 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3ihb h VAL 188 CO 0.09 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.24 3ihb h ALA 189 N 1.27 0.64 -0.58 1.67 0.00 -1.01 -0.53 119.26 120.72 3ihb h ALA 189 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3ihb h ALA 189 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ihb h ALA 189 CO -0.02 0.18 0.10 0.78 0.00 0.00 0.00 179.25 180.29 3ihb h GLY 190 N 0.66 1.01 1.23 0.00 0.00 -1.18 -2.18 103.07 102.61 3ihb h GLY 190 Ca 0.17 -0.63 -0.19 0.00 0.00 0.00 0.00 47.33 46.68 3ihb h GLY 190 CO -0.03 0.59 -0.58 -1.82 0.00 0.00 0.00 176.54 174.70 3ihb h TYR 191 N 0.89 1.01 -0.13 5.60 3.20 -1.12 -1.04 116.97 125.38 3ihb h TYR 191 Ca 0.18 -0.37 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 3ihb h TYR 191 Cb 0.38 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3ihb h TYR 191 CO 0.02 1.19 -0.32 0.28 -1.64 0.00 0.00 178.16 177.69 3ihb h VAL 192 N 0.60 1.27 -0.15 1.81 2.07 -1.01 0.38 116.25 121.22 3ihb h VAL 192 Ca 0.00 -1.29 -0.22 0.00 0.82 0.00 0.00 66.70 66.02 3ihb h VAL 192 Cb 1.18 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3ihb h VAL 192 CO 0.12 0.39 -0.75 0.00 0.02 0.00 0.00 177.57 177.35 3ihb h ALA 193 N 1.45 0.30 -0.57 1.67 0.00 -1.35 -2.67 119.26 118.10 3ihb h ALA 193 Ca 0.03 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 54.43 3ihb h ALA 193 Cb 0.68 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3ihb h ALA 193 CO 0.05 0.65 0.23 0.37 0.00 0.00 0.00 179.25 180.55 3ihb h GLN 194 N 0.51 0.41 0.00 0.00 4.15 -0.66 -0.96 115.11 118.56 3ihb h GLN 194 Ca -0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3ihb h GLN 194 Cb 1.39 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3ihb h GLN 194 CO 0.16 0.27 0.00 0.00 -1.93 0.00 0.00 178.83 177.33 3ihb n ALA 196 N -1.92 2.56 -1.85 0.00 0.00 -0.37 -0.86 120.51 118.07 3ihb n ALA 196 Ca 0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 3ihb n ALA 196 Cb 0.27 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 3ihb n ALA 196 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ihb s VAL 197 N -1.95 2.46 -0.08 0.00 1.01 -1.14 -1.32 120.40 119.39 3ihb s VAL 197 Ca 0.36 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 3ihb s VAL 197 Cb 0.20 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3ihb s VAL 197 CO 0.32 0.06 0.54 -0.76 0.00 0.00 0.00 175.10 175.25 3ihb s LEU 198 N -0.18 4.31 0.11 3.92 1.43 -0.20 -1.53 118.68 126.55 3ihb s LEU 198 Ca 0.62 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.63 3ihb s LEU 198 Cb -0.44 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 3ihb s LEU 198 CO 0.43 0.01 0.11 0.68 0.23 0.00 0.00 176.35 177.80 3ihb s VAL 199 N 0.47 0.13 0.42 -1.59 -7.23 -0.73 -4.54 120.40 107.32 3ihb s VAL 199 Ca 0.29 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 58.87 3ihb s VAL 199 Cb -0.16 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 3ihb s VAL 199 CO 0.13 -0.58 0.24 0.42 -0.31 0.00 0.00 175.10 175.00 3ihb s THR 200 N -3.97 2.40 0.50 5.32 -4.23 -1.26 -0.82 115.64 113.58 3ihb s THR 200 Ca 0.16 -1.59 0.21 0.00 -1.18 0.00 0.00 61.69 59.29 3ihb s THR 200 Cb 0.06 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.27 3ihb s THR 200 CO -0.03 0.00 2.02 0.58 -0.54 0.00 0.00 174.62 176.64 3ihb h VAL 201 N 1.30 0.82 0.00 2.29 2.07 -1.73 -1.29 116.25 119.71 3ihb h VAL 201 Ca -0.42 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 3ihb h VAL 201 Cb 1.26 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3ihb h VAL 201 CO 0.66 0.02 -0.81 0.11 0.02 0.00 0.00 177.57 177.57 3ihb h LYS 202 N 0.11 0.00 0.18 1.57 1.57 -1.88 -2.64 116.57 115.49 3ihb h LYS 202 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3ihb h LYS 202 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3ihb h LYS 202 CO -0.02 0.81 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.14 3ihb h ASP 203 N 0.00 -0.21 -0.56 0.86 3.32 -1.57 -2.52 116.42 115.75 3ihb h ASP 203 Ca -0.01 -0.18 0.10 0.00 0.02 0.00 0.00 57.03 56.96 3ihb h ASP 203 Cb 1.61 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 41.14 3ihb h ASP 203 CO 0.10 0.06 0.12 -0.07 -1.72 0.00 0.00 179.24 177.74 3ihb h LEU 204 N -0.49 0.01 -0.39 1.55 3.38 -1.51 0.29 115.31 118.16 3ihb h LEU 204 Ca -0.02 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3ihb h LEU 204 Cb 0.37 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3ihb h LEU 204 CO 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 178.44 178.59 3ihb h ALA 205 N 1.44 0.35 -0.38 1.53 0.00 -1.38 0.71 119.26 121.53 3ihb h ALA 205 Ca 0.28 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 3ihb h ALA 205 Cb 0.40 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ihb h ALA 205 CO -0.36 -0.40 -0.22 0.28 0.00 0.00 0.00 179.25 178.55 3ihb h VAL 206 N 0.09 1.28 -0.68 0.00 2.07 -0.89 0.11 116.25 118.24 3ihb h VAL 206 Ca 0.19 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3ihb h VAL 206 Cb 0.28 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3ihb h VAL 206 CO -0.33 0.45 0.33 0.24 0.02 0.00 0.00 177.57 178.28 3ihb h MET 207 N 0.61 0.97 -0.24 1.57 2.07 0.15 -1.99 114.93 118.07 3ihb h MET 207 Ca 0.08 -0.14 -0.09 0.00 -2.07 0.00 0.00 59.70 57.48 3ihb h MET 207 Cb 0.78 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.32 3ihb h MET 207 CO 0.06 0.76 -0.23 0.78 1.07 0.00 0.00 176.91 179.35 3ihb h GLY 208 N 0.94 0.48 1.82 8.32 0.00 0.60 -2.53 103.07 112.69 3ihb h GLY 208 Ca 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3ihb h GLY 208 CO -0.03 0.34 -0.14 0.00 0.00 0.00 0.00 176.54 176.72 3ihb h ALA 209 N 1.36 1.51 -0.73 3.60 0.00 -0.28 -0.94 119.26 123.78 3ihb h ALA 209 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ihb h ALA 209 Cb 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ihb h ALA 209 CO 0.04 0.35 0.35 0.00 0.00 0.00 0.00 179.25 179.99 3ihb h LEU 211 N 1.03 0.89 -1.82 0.00 3.38 -1.36 0.23 115.31 117.66 3ihb h LEU 211 Ca 0.25 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3ihb h LEU 211 Cb 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ihb h LEU 211 CO -0.03 1.46 -0.15 0.00 0.09 0.00 0.00 178.44 179.81 3ihb h ALA 212 N 0.50 1.42 -0.01 1.53 0.00 -0.74 -1.97 119.26 119.99 3ihb h ALA 212 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ihb h ALA 212 Cb 1.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3ihb h ALA 212 CO 0.19 0.18 -0.23 0.25 0.00 0.00 0.00 179.25 179.64 3ihb n THR 213 N -3.88 0.00 -0.35 0.00 -2.24 -0.55 0.19 114.28 107.46 3ihb n THR 213 Ca -0.02 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3ihb n THR 213 Cb 0.24 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3ihb n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihb n GLY 214 N 1.34 0.80 0.00 3.38 0.00 -0.74 -4.37 105.19 105.59 3ihb n GLY 214 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3ihb n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihb n GLY 215 N -2.35 1.12 3.76 -0.02 0.00 0.80 -2.94 105.19 105.56 3ihb n GLY 215 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ihb n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihb s ILE 216 N -2.00 4.85 -0.11 -0.61 1.01 -1.24 -1.15 121.20 121.95 3ihb s ILE 216 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 3ihb s ILE 216 Cb 0.00 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3ihb s ILE 216 CO 0.00 0.40 1.26 -2.28 0.00 0.00 0.00 174.94 174.32 3ihb s HIS 217 N -0.13 2.95 0.43 3.97 5.65 -0.28 -4.47 115.29 123.40 3ihb s HIS 217 Ca 0.34 1.05 0.30 0.00 0.25 0.00 0.00 55.06 56.99 3ihb s HIS 217 Cb -0.19 -3.50 1.59 0.00 -1.18 0.00 0.00 32.58 29.31 3ihb s HIS 217 CO 0.19 -1.67 2.12 -1.00 -0.65 0.00 0.00 174.74 173.73 3ihb h PRO 218 N 7.94 0.00 0.00 2.88 0.13 -1.89 0.45 132.00 141.51 3ihb h PRO 218 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ihb h PRO 218 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ihb h PRO 218 CO 0.93 0.08 -0.67 -1.33 -0.23 0.00 0.00 178.00 176.78 3ihb n MET 219 N -3.55 0.06 0.00 0.86 2.81 -1.26 -3.29 117.12 112.75 3ihb n MET 219 Ca -0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3ihb n MET 219 Cb 0.21 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3ihb n MET 219 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ihb n THR 220 N -1.60 0.00 -0.11 2.03 -2.24 -1.11 -5.05 114.28 106.19 3ihb n THR 220 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3ihb n THR 220 Cb 0.36 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3ihb n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihb n GLY 221 N 2.55 0.81 3.88 3.38 0.00 0.16 -5.04 105.19 110.93 3ihb n GLY 221 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ihb n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ihb s GLU 222 N -0.89 3.69 -0.20 1.61 -1.05 -1.26 -4.78 118.70 115.81 3ihb s GLU 222 Ca 0.00 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.57 3ihb s GLU 222 Cb 0.00 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 3ihb s GLU 222 CO 0.00 0.48 1.06 0.50 0.95 0.00 0.00 175.26 178.24 3ihb s ARG 223 N -2.44 4.28 -0.11 -4.83 3.52 -1.26 -1.13 118.95 116.98 3ihb s ARG 223 Ca 0.39 1.40 0.17 0.00 -0.13 0.00 0.00 55.73 57.56 3ihb s ARG 223 Cb -0.13 -3.63 -0.24 0.00 -1.56 0.00 0.00 34.95 29.39 3ihb s ARG 223 CO 0.22 -0.59 0.35 -1.33 -0.81 0.00 0.00 175.30 173.15 3ihb n MET 224 N 6.12 0.66 -3.86 5.12 2.81 -0.30 -4.96 117.12 122.72 3ihb n MET 224 Ca 0.12 0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 55.98 3ihb n MET 224 Cb 0.46 -1.63 -0.08 0.00 -0.71 0.00 0.00 33.22 31.26 3ihb n MET 224 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ihb s LEU 225 N -5.58 1.42 0.40 4.03 1.43 -1.12 -5.08 118.68 114.18 3ihb s LEU 225 Ca -0.08 -0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 3ihb s LEU 225 Cb 0.08 0.92 -0.09 0.00 0.03 0.00 0.00 46.19 47.12 3ihb s LEU 225 CO 0.83 -0.56 1.04 -2.16 0.23 0.00 0.00 176.35 175.73 3ihb s PRO 226 N -2.65 4.17 0.37 1.29 0.04 -1.26 -4.51 135.00 132.46 3ihb s PRO 226 Ca -0.04 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.56 3ihb s PRO 226 Cb -0.01 -2.52 0.82 0.00 0.04 0.00 0.00 34.50 32.83 3ihb s PRO 226 CO -0.04 -0.13 1.93 0.66 0.04 0.00 0.00 177.00 179.46 3ihb h SER 227 N 2.47 0.61 -0.17 6.66 4.64 -1.92 -1.58 113.55 124.26 3ihb h SER 227 Ca -0.48 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3ihb h SER 227 Cb 1.21 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3ihb h SER 227 CO 0.62 0.36 -0.02 -0.29 -0.87 0.00 0.00 176.83 176.64 3ihb h ILE 228 N 0.68 1.18 -0.25 0.95 6.09 -1.92 -0.81 117.51 123.43 3ihb h ILE 228 Ca 0.35 -0.73 -0.19 0.00 -1.37 0.00 0.00 64.86 62.92 3ihb h ILE 228 Cb 0.46 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.74 3ihb h ILE 228 CO -0.13 0.25 -0.59 0.58 -3.07 0.00 0.00 178.15 175.19 3ihb h VAL 229 N 0.43 1.28 -0.13 2.19 2.07 -1.67 -3.05 116.25 117.37 3ihb h VAL 229 Ca 0.09 -1.78 -0.13 0.00 0.82 0.00 0.00 66.70 65.70 3ihb h VAL 229 Cb 0.31 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3ihb h VAL 229 CO 0.01 0.58 -0.49 0.00 0.02 0.00 0.00 177.57 177.68 3ihb h ALA 230 N 0.71 0.92 -0.53 1.67 0.00 -1.14 -2.76 119.26 118.14 3ihb h ALA 230 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ihb h ALA 230 Cb 1.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3ihb h ALA 230 CO 0.13 0.66 0.35 -0.09 0.00 0.00 0.00 179.25 180.29 3ihb h ARG 231 N 0.26 0.69 -0.67 0.00 2.43 -1.14 -1.08 114.38 114.88 3ihb h ARG 231 Ca 0.01 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3ihb h ARG 231 Cb 0.97 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 3ihb h ARG 231 CO 0.08 0.46 0.11 -0.09 -1.51 0.00 0.00 179.97 179.03 3ihb h ARG 232 N 0.71 1.11 -0.30 0.20 9.65 -1.44 -1.04 114.38 123.28 3ihb h ARG 232 Ca 0.19 -0.30 -0.05 0.00 -1.10 0.00 0.00 59.98 58.73 3ihb h ARG 232 Cb -0.08 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 3ihb h ARG 232 CO -0.04 1.02 -0.00 0.28 2.80 0.00 0.00 179.97 184.03 3ihb h VAL 233 N 1.04 1.26 0.00 0.20 2.07 -1.16 -1.74 116.25 117.91 3ihb h VAL 233 Ca 0.20 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 3ihb h VAL 233 Cb 0.44 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3ihb h VAL 233 CO 0.01 0.30 -0.41 0.58 0.02 0.00 0.00 177.57 178.08 3ihb h VAL 234 N 0.32 1.10 -0.45 2.57 2.07 -1.17 -1.68 116.25 119.02 3ihb h VAL 234 Ca 0.08 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 3ihb h VAL 234 Cb 0.43 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3ihb h VAL 234 CO 0.02 0.40 0.05 0.28 0.02 0.00 0.00 177.57 178.34 3ihb h SER 235 N 0.00 0.72 0.98 0.57 0.02 -0.90 -2.49 113.55 112.45 3ihb h SER 235 Ca -0.00 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 3ihb h SER 235 Cb 0.82 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3ihb h SER 235 CO 0.05 0.82 -0.65 0.58 -1.14 0.00 0.00 176.83 176.49 3ihb h VAL 236 N 0.61 1.27 -0.09 2.27 2.07 -1.13 -2.48 116.25 118.77 3ihb h VAL 236 Ca 0.13 -2.40 -0.00 0.00 0.82 0.00 0.00 66.70 65.25 3ihb h VAL 236 Cb 0.41 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3ihb h VAL 236 CO 0.01 0.64 0.04 0.24 0.02 0.00 0.00 177.57 178.52 3ihb h MET 237 N 0.00 0.13 -0.44 1.57 2.86 -1.17 0.25 114.93 118.12 3ihb h MET 237 Ca -0.01 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3ihb h MET 237 Cb 1.32 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 3ihb h MET 237 CO 0.08 0.23 0.16 1.15 1.06 0.00 0.00 176.91 179.59 3ihb h THR 238 N 0.00 1.21 0.00 2.22 2.02 -1.41 0.86 112.91 117.81 3ihb h THR 238 Ca 0.03 -0.67 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 3ihb h THR 238 Cb 0.14 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3ihb h THR 238 CO -0.00 0.24 -0.69 0.77 0.37 0.00 0.00 175.52 176.21 3ihb h SER 239 N 0.57 0.00 0.00 4.18 4.64 -1.41 -3.40 113.55 118.14 3ihb h SER 239 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3ihb h SER 239 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ihb h SER 239 CO -0.01 0.69 0.00 -1.20 -0.87 0.00 0.00 176.83 175.44 3ihb n SER 240 N -3.27 0.12 -0.35 4.97 7.64 0.07 -4.54 113.62 118.25 3ihb n SER 240 Ca 0.01 -0.46 0.08 0.00 1.01 0.00 0.00 58.87 59.51 3ihb n SER 240 Cb 0.81 0.58 0.25 0.00 -1.01 0.00 0.00 64.21 64.84 3ihb n SER 240 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3ihb h GLY 241 N 0.00 1.62 -2.70 0.23 0.00 0.85 -2.12 103.07 100.95 3ihb h GLY 241 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3ihb h GLY 241 CO 0.00 0.10 0.00 1.03 0.00 0.00 0.00 176.54 177.67 3ihb n MET 242 N -4.68 3.80 0.00 4.80 2.81 -1.26 -4.71 117.12 117.88 3ihb n MET 242 Ca 0.19 -2.88 0.00 0.00 -1.81 0.00 0.00 57.70 53.20 3ihb n MET 242 Cb 0.40 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 3ihb n MET 242 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ihb n TYR 243 N 0.57 0.00 0.48 2.03 4.02 -0.80 -2.11 117.16 121.35 3ihb n TYR 243 Ca 0.24 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.23 3ihb n TYR 243 Cb 0.93 0.00 0.43 0.00 -0.02 0.00 0.00 39.34 40.68 3ihb n TYR 243 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3ihb n ASP 244 N 5.14 0.41 -1.11 7.72 8.00 -1.26 -2.54 116.55 132.90 3ihb n ASP 244 Ca 0.00 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.20 3ihb n ASP 244 Cb 0.00 -0.68 0.27 0.00 -0.02 0.00 0.00 41.12 40.69 3ihb n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ihb n ALA 245 N -1.66 2.42 -0.36 2.24 0.00 -0.90 -4.45 120.51 117.79 3ihb n ALA 245 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3ihb n ALA 245 Cb 0.23 -0.94 0.14 0.00 0.00 0.00 0.00 19.45 18.88 3ihb n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ihb h ALA 246 N 4.29 1.32 0.34 0.00 0.00 -1.52 -0.19 119.26 123.50 3ihb h ALA 246 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ihb h ALA 246 Cb 0.87 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3ihb h ALA 246 CO 0.00 0.51 -0.31 0.78 0.00 0.00 0.00 179.25 180.23 3ihb h GLY 247 N 1.22 -0.73 0.75 0.00 0.00 -1.85 0.33 103.07 102.79 3ihb h GLY 247 Ca 0.40 0.36 0.06 0.00 0.00 0.00 0.00 47.33 48.15 3ihb h GLY 247 CO -0.13 -0.28 0.64 -1.61 0.00 0.00 0.00 176.54 175.16 3ihb h GLN 248 N -0.67 1.13 -0.40 4.80 5.75 -1.81 -2.59 115.11 121.32 3ihb h GLN 248 Ca -0.02 -0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.29 3ihb h GLN 248 Cb 0.60 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3ihb h GLN 248 CO -0.04 0.75 -0.20 2.35 -2.65 0.00 0.00 178.83 179.04 3ihb h TRP 249 N 1.17 0.97 -0.79 3.99 2.91 -0.57 -1.30 115.95 122.33 3ihb h TRP 249 Ca 0.43 -0.24 -0.02 0.00 1.13 0.00 0.00 58.89 60.19 3ihb h TRP 249 Cb 0.16 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.55 3ihb h TRP 249 CO -0.00 1.01 0.43 1.25 -1.03 0.00 0.00 178.44 180.09 3ihb h LEU 250 N 0.65 0.99 -0.02 0.65 7.12 -0.03 -0.96 115.31 123.70 3ihb h LEU 250 Ca 0.09 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 3ihb h LEU 250 Cb 0.76 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 3ihb h LEU 250 CO 0.06 0.80 -0.08 0.00 -0.13 0.00 0.00 178.44 179.10 3ihb h ALA 251 N 1.22 0.04 0.00 1.25 0.00 -1.38 -1.62 119.26 118.77 3ihb h ALA 251 Ca 0.28 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3ihb h ALA 251 Cb 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ihb h ALA 251 CO -0.04 -0.09 -0.73 -0.44 0.00 0.00 0.00 179.25 177.95 3ihb h ASP 252 N -0.50 0.00 0.00 0.00 3.32 -1.26 -3.41 116.42 114.57 3ihb h ASP 252 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3ihb h ASP 252 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3ihb h ASP 252 CO 0.02 0.73 -0.95 0.52 -1.72 0.00 0.00 179.24 177.84 3ihb n VAL 253 N -3.47 0.48 -1.95 -1.35 0.31 -0.48 -4.84 118.33 107.03 3ihb n VAL 253 Ca 0.00 0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 3ihb n VAL 253 Cb 0.76 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 32.10 3ihb n VAL 253 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ihb n GLY 254 N 2.87 0.25 3.11 2.92 0.00 -0.53 -4.51 105.19 109.30 3ihb n GLY 254 Ca -0.06 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 3ihb n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihb s ILE 255 N -2.34 1.89 -0.00 -0.61 1.01 -1.26 -0.64 121.20 119.24 3ihb s ILE 255 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 3ihb s ILE 255 Cb 0.00 -1.70 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 3ihb s ILE 255 CO 0.00 0.51 2.01 -2.65 0.00 0.00 0.00 174.94 174.82 3ihb n PRO 256 N 4.37 2.72 -3.66 2.79 -0.02 -1.26 -4.93 135.00 135.03 3ihb n PRO 256 Ca -0.20 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 3ihb n PRO 256 Cb 0.51 -3.03 -0.05 0.00 -0.02 0.00 0.00 33.50 30.90 3ihb n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ihb s ALA 257 N 5.02 -0.91 -0.06 3.55 0.00 -1.26 -1.85 121.76 126.25 3ihb s ALA 257 Ca 0.91 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 3ihb s ALA 257 Cb -0.43 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3ihb s ALA 257 CO 0.41 -0.58 0.12 0.21 0.00 0.00 0.00 175.76 175.93 3ihb s LYS 258 N -3.40 0.08 0.30 0.00 2.47 -0.45 -4.40 119.74 114.34 3ihb s LYS 258 Ca 0.01 0.31 0.06 0.00 -1.56 0.00 0.00 55.97 54.78 3ihb s LYS 258 Cb 0.01 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.22 3ihb s LYS 258 CO -0.09 -0.14 0.43 0.45 0.16 0.00 0.00 175.35 176.16 3ihb s SER 259 N 0.96 6.10 0.01 1.43 0.15 -1.26 -0.22 113.70 120.86 3ihb s SER 259 Ca -0.07 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.52 3ihb s SER 259 Cb -0.10 -1.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.73 3ihb s SER 259 CO -0.04 -0.30 -0.12 -0.83 1.20 0.00 0.00 173.24 173.15 3ihb s GLY 260 N -4.10 0.60 0.00 9.45 0.00 0.13 -3.94 107.32 109.46 3ihb s GLY 260 Ca 0.41 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.56 3ihb s GLY 260 CO 0.30 -0.52 0.52 3.33 0.00 0.00 0.00 173.10 176.74 3ihb n VAL 261 N 2.52 0.00 1.19 1.40 0.24 -1.26 -1.21 118.33 121.21 3ihb n VAL 261 Ca -0.15 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.28 3ihb n VAL 261 Cb 0.56 -0.94 0.26 0.00 -1.47 0.00 0.00 33.84 32.24 3ihb n VAL 261 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ihb n ALA 262 N -0.96 2.66 0.00 2.33 0.00 -1.26 -4.13 120.51 119.14 3ihb n ALA 262 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3ihb n ALA 262 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3ihb n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihb n GLY 263 N 1.30 0.72 3.81 0.00 0.00 -0.35 -4.41 105.19 106.27 3ihb n GLY 263 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3ihb n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ihb s GLY 264 N -1.92 2.61 -0.05 -0.02 0.00 -1.20 -1.40 107.32 105.34 3ihb s GLY 264 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.92 3ihb s GLY 264 CO 0.00 0.54 -0.07 0.14 0.00 0.00 0.00 173.10 173.70 3ihb s VAL 265 N -1.56 0.77 -0.12 1.40 1.01 0.87 0.17 120.40 122.93 3ihb s VAL 265 Ca 0.44 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 3ihb s VAL 265 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3ihb s VAL 265 CO 0.21 0.27 0.09 -0.22 0.00 0.00 0.00 175.10 175.46 3ihb s LEU 266 N 0.82 4.09 0.02 3.92 0.20 0.69 -1.01 118.68 127.42 3ihb s LEU 266 Ca -0.12 0.32 0.01 0.00 0.69 0.00 0.00 54.13 55.02 3ihb s LEU 266 Cb -0.15 -1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 3ihb s LEU 266 CO 0.01 0.36 -0.05 -0.83 -0.29 0.00 0.00 176.35 175.55 3ihb s GLY 267 N -0.71 0.31 -0.28 7.98 0.00 -0.10 -1.34 107.32 113.18 3ihb s GLY 267 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3ihb s GLY 267 CO 0.03 -0.64 0.52 0.00 0.00 0.00 0.00 173.10 173.01 3ihb s ALA 268 N -1.25 -1.88 -0.42 3.20 0.00 -0.77 -0.47 121.76 120.18 3ihb s ALA 268 Ca -0.12 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 3ihb s ALA 268 Cb -0.09 -2.10 0.07 0.00 0.00 0.00 0.00 23.12 21.01 3ihb s ALA 268 CO -0.00 -1.45 0.26 -1.17 0.00 0.00 0.00 175.76 173.40 3ihb s LEU 269 N 2.74 5.13 0.02 0.00 2.96 -0.19 -4.07 118.68 125.26 3ihb s LEU 269 Ca 0.16 -1.46 -0.39 0.00 -0.22 0.00 0.00 54.13 52.22 3ihb s LEU 269 Cb -0.14 -1.99 -0.20 0.00 0.50 0.00 0.00 46.19 44.36 3ihb s LEU 269 CO -0.22 -0.53 1.06 -0.81 -1.32 0.00 0.00 176.35 174.54 3ihb n PRO 270 N 4.93 0.09 -0.19 0.98 -0.04 -1.26 -1.10 135.00 138.41 3ihb n PRO 270 Ca -0.10 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3ihb n PRO 270 Cb 0.43 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3ihb n PRO 270 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ihb n GLY 271 N 1.60 1.68 0.92 0.55 0.00 0.13 -4.77 105.19 105.29 3ihb n GLY 271 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ihb n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihb n ARG 272 N -2.00 0.00 -3.55 1.61 1.74 -0.25 -4.90 116.66 109.30 3ihb n ARG 272 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3ihb n ARG 272 Cb 0.00 -0.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.88 3ihb n ARG 272 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ihb s VAL 273 N -1.93 0.00 -0.15 1.55 0.11 -0.92 -4.20 120.40 114.85 3ihb s VAL 273 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 3ihb s VAL 273 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3ihb s VAL 273 CO 0.00 0.00 -0.03 -0.83 -3.33 0.00 0.00 175.10 170.91 3ihb s GLY 274 N -1.31 1.74 0.03 6.54 0.00 -0.20 -1.03 107.32 113.08 3ihb s GLY 274 Ca -0.04 -0.81 0.09 0.00 0.00 0.00 0.00 44.72 43.96 3ihb s GLY 274 CO 0.03 -0.08 -0.25 -0.42 0.00 0.00 0.00 173.10 172.37 3ihb s ILE 275 N 0.30 2.22 -0.05 0.90 1.01 0.38 -0.60 121.20 125.36 3ihb s ILE 275 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.33 3ihb s ILE 275 Cb -0.14 -1.85 0.02 0.00 0.01 0.00 0.00 42.46 40.50 3ihb s ILE 275 CO 0.03 0.41 -0.04 -0.83 0.00 0.00 0.00 174.94 174.51 3ihb s GLY 276 N -1.12 0.48 0.03 6.18 0.00 -0.67 -0.92 107.32 111.30 3ihb s GLY 276 Ca 0.12 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.76 3ihb s GLY 276 CO 0.02 0.61 -0.10 0.14 0.00 0.00 0.00 173.10 173.76 3ihb s VAL 277 N 1.19 0.78 -0.03 1.40 1.01 -0.18 -0.91 120.40 123.65 3ihb s VAL 277 Ca -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3ihb s VAL 277 Cb -0.14 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3ihb s VAL 277 CO -0.01 -0.05 -0.01 0.12 0.00 0.00 0.00 175.10 175.14 3ihb s PHE 278 N -0.77 0.44 -0.31 5.22 5.36 -0.24 -0.09 117.98 127.59 3ihb s PHE 278 Ca -0.01 -0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 55.85 3ihb s PHE 278 Cb -0.07 -0.48 0.19 0.00 -0.34 0.00 0.00 43.02 42.32 3ihb s PHE 278 CO 0.01 -0.15 0.90 0.45 -1.46 0.00 0.00 175.22 174.96 3ihb s SER 279 N 1.00 -0.81 0.18 6.13 0.15 -0.50 -1.44 113.70 118.41 3ihb s SER 279 Ca -0.10 -0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.41 3ihb s SER 279 Cb -0.14 1.41 0.20 0.00 -1.71 0.00 0.00 66.02 65.78 3ihb s SER 279 CO -0.01 -0.14 1.21 -2.65 1.20 0.00 0.00 173.24 172.85 3ihb n PRO 280 N 4.96 -0.18 -1.99 5.44 -0.02 -1.26 -4.46 135.00 137.49 3ihb n PRO 280 Ca 0.08 1.20 -0.41 0.00 -2.02 0.00 0.00 63.50 62.34 3ihb n PRO 280 Cb 0.57 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 3ihb n PRO 280 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ihb s ARG 281 N -5.75 4.25 0.12 -0.52 0.52 -1.26 -4.23 118.95 112.09 3ihb s ARG 281 Ca -0.11 2.34 0.04 0.00 -0.52 0.00 0.00 55.73 57.49 3ihb s ARG 281 Cb 0.16 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 3ihb s ARG 281 CO 0.56 -0.40 0.09 -0.51 0.02 0.00 0.00 175.30 175.05 3ihb s LEU 282 N -0.87 3.74 0.00 2.53 1.43 0.21 -1.27 118.68 124.45 3ihb s LEU 282 Ca 0.57 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 3ihb s LEU 282 Cb -0.42 -2.39 0.06 0.00 0.03 0.00 0.00 46.19 43.47 3ihb s LEU 282 CO 0.48 0.12 0.39 -0.90 0.23 0.00 0.00 176.35 176.67 3ihb n ASP 283 N 0.09 0.13 0.07 2.29 5.68 0.76 -2.22 116.55 123.35 3ihb n ASP 283 Ca -0.09 -1.20 0.07 0.00 -0.50 0.00 0.00 54.79 53.07 3ihb n ASP 283 Cb 0.53 -0.29 0.33 0.00 -1.14 0.00 0.00 41.12 40.55 3ihb n ASP 283 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ihb n GLU 284 N -1.81 0.08 -0.23 0.11 0.00 -1.26 -2.12 120.64 115.41 3ihb n GLU 284 Ca 0.05 0.47 0.06 0.00 0.00 0.00 0.00 57.16 57.74 3ihb n GLU 284 Cb 0.18 -1.71 0.18 0.00 0.00 0.00 0.00 31.44 30.10 3ihb n GLU 284 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3ihb n VAL 285 N -1.86 1.23 -0.21 3.84 0.24 -1.26 -4.99 118.33 115.31 3ihb n VAL 285 Ca 0.01 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.16 3ihb n VAL 285 Cb 0.09 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 3ihb n VAL 285 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ihb n GLY 286 N 0.39 0.76 3.98 7.63 0.00 -0.90 -5.08 105.19 111.97 3ihb n GLY 286 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3ihb n GLY 286 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ihb s ASN 287 N -2.87 5.68 -0.26 1.61 0.01 -1.26 -4.62 114.94 113.23 3ihb s ASN 287 Ca 0.00 -0.02 -0.29 0.00 -0.71 0.00 0.00 52.86 51.84 3ihb s ASN 287 Cb 0.00 -1.14 -0.03 0.00 0.41 0.00 0.00 41.25 40.49 3ihb s ASN 287 CO 0.00 -0.77 1.78 -0.55 -1.51 0.00 0.00 177.10 176.05 3ihb s SER 288 N -4.29 6.06 0.14 -1.22 0.15 -1.26 -0.17 113.70 113.12 3ihb s SER 288 Ca 0.51 1.56 -0.27 0.00 0.70 0.00 0.00 55.95 58.45 3ihb s SER 288 Cb -0.10 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 3ihb s SER 288 CO 0.36 -1.53 1.59 0.00 1.20 0.00 0.00 173.24 174.85 3ihb h ALA 289 N 12.17 -0.47 0.03 5.45 0.00 -1.44 -0.95 119.26 134.05 3ihb h ALA 289 Ca -0.35 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 3ihb h ALA 289 Cb 1.17 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3ihb h ALA 289 CO 1.01 -0.87 -0.98 0.00 0.00 0.00 0.00 179.25 178.41 3ihb h ARG 290 N -0.41 0.20 -0.33 0.00 3.08 -1.86 -2.88 114.38 112.18 3ihb h ARG 290 Ca 0.11 -0.26 0.07 0.00 0.07 0.00 0.00 59.98 59.97 3ihb h ARG 290 Cb 0.59 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 3ihb h ARG 290 CO -0.46 1.03 -0.10 0.78 -1.07 0.00 0.00 179.97 180.15 3ihb h GLY 291 N 1.89 0.21 1.47 0.04 0.00 -1.73 0.22 103.07 105.17 3ihb h GLY 291 Ca -0.06 0.13 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 3ihb h GLY 291 CO 0.15 -0.14 -0.78 -0.39 0.00 0.00 0.00 176.54 175.38 3ihb h VAL 292 N -0.03 1.35 -0.58 4.60 -1.51 -1.26 -2.84 116.25 115.98 3ihb h VAL 292 Ca 0.16 -2.14 -0.05 0.00 -1.23 0.00 0.00 66.70 63.44 3ihb h VAL 292 Cb 0.28 2.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.54 3ihb h VAL 292 CO -0.36 0.65 0.17 0.25 -1.23 0.00 0.00 177.57 177.05 3ihb h LEU 293 N 0.34 0.81 -1.39 4.19 5.85 -1.23 -1.77 115.31 122.11 3ihb h LEU 293 Ca -0.04 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 3ihb h LEU 293 Cb 1.38 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3ihb h LEU 293 CO 0.14 0.77 -0.27 0.00 -0.34 0.00 0.00 178.44 178.74 3ihb h ALA 294 N 1.34 1.49 -0.23 1.25 0.00 -0.50 -0.75 119.26 121.87 3ihb h ALA 294 Ca 0.19 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3ihb h ALA 294 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ihb h ALA 294 CO -0.01 0.38 -0.57 0.00 0.00 0.00 0.00 179.25 179.05 3ihb h ARG 296 N 0.54 0.56 -0.18 0.00 2.43 -0.56 -1.52 114.38 115.64 3ihb h ARG 296 Ca 0.01 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3ihb h ARG 296 Cb 1.15 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3ihb h ARG 296 CO 0.12 0.69 -0.02 0.00 -1.51 0.00 0.00 179.97 179.24 3ihb h ARG 297 N 0.51 0.33 -0.98 0.20 2.47 -1.01 -1.43 114.38 114.45 3ihb h ARG 297 Ca 0.09 -0.12 0.04 0.00 -1.26 0.00 0.00 59.98 58.74 3ihb h ARG 297 Cb 0.55 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.79 3ihb h ARG 297 CO 0.04 0.57 0.64 -0.07 0.56 0.00 0.00 179.97 181.70 3ihb h LEU 298 N 0.05 1.06 -0.43 3.04 3.38 -1.19 0.82 115.31 122.05 3ihb h LEU 298 Ca 0.05 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3ihb h LEU 298 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ihb h LEU 298 CO 0.01 0.71 -0.24 -1.28 0.09 0.00 0.00 178.44 177.74 3ihb h SER 299 N 1.22 0.94 0.35 -0.43 0.87 -1.14 -2.30 113.55 113.07 3ihb h SER 299 Ca 0.40 -0.41 -0.27 0.00 -1.23 0.00 0.00 61.79 60.28 3ihb h SER 299 Cb 0.05 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3ihb h SER 299 CO -0.14 1.15 -1.16 -0.33 -0.53 0.00 0.00 176.83 175.82 3ihb h GLU 300 N 0.74 0.45 0.03 2.24 5.08 -0.87 0.35 114.58 122.58 3ihb h GLU 300 Ca 0.09 -0.60 -0.22 0.00 -1.00 0.00 0.00 59.36 57.63 3ihb h GLU 300 Cb 0.81 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3ihb h GLU 300 CO 0.07 1.25 -1.04 -0.44 -1.00 0.00 0.00 179.01 177.85 3ihb h ASP 301 N 0.19 0.10 -0.00 1.42 3.32 -0.93 -3.36 116.42 117.17 3ihb h ASP 301 Ca -0.14 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3ihb h ASP 301 Cb 1.84 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.36 3ihb h ASP 301 CO 0.21 1.07 -0.40 0.49 -1.72 0.00 0.00 179.24 178.88 3ihb n PHE 302 N -3.41 0.00 -3.40 4.55 0.99 -0.86 -4.99 117.46 110.33 3ihb n PHE 302 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.23 3ihb n PHE 302 Cb 0.95 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 39.49 3ihb n PHE 302 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3ihb n ARG 303 N -1.12 -6.59 -2.59 -1.08 5.12 0.10 -4.88 116.66 105.62 3ihb n ARG 303 Ca 0.02 0.69 -0.43 0.00 -1.93 0.00 0.00 57.85 56.20 3ihb n ARG 303 Cb 0.15 -5.31 0.00 0.00 -1.16 0.00 0.00 32.46 26.14 3ihb n ARG 303 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3ihb n LEU 304 N -4.22 5.90 -4.09 0.55 4.77 -1.14 -4.82 117.00 113.96 3ihb n LEU 304 Ca -0.00 -4.48 -0.27 0.00 -0.03 0.00 0.00 56.01 51.23 3ihb n LEU 304 Cb 0.55 -1.57 -0.17 0.00 -2.33 0.00 0.00 43.42 39.91 3ihb n LEU 304 CO 0.54 0.99 -0.50 -2.28 -1.33 0.00 0.00 177.39 174.81 3ihb s HIS 305 N 1.34 1.76 0.55 -1.77 2.46 -1.26 -4.43 115.29 113.94 3ihb s HIS 305 Ca 0.42 -0.65 0.33 0.00 0.47 0.00 0.00 55.06 55.63 3ihb s HIS 305 Cb 0.04 -1.23 1.49 0.00 -0.13 0.00 0.00 32.58 32.75 3ihb s HIS 305 CO 0.00 -0.29 1.84 1.25 -2.47 0.00 0.00 174.74 175.07 3ihb h LEU 306 N 6.80 0.00 -0.77 8.88 5.85 -1.15 0.19 115.31 135.12 3ihb h LEU 306 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3ihb h LEU 306 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3ihb h LEU 306 CO 0.47 0.00 -0.08 0.23 -0.34 0.00 0.00 178.44 178.72 3ihb n MET 307 N -4.14 1.36 -3.22 1.25 2.81 -1.26 -4.63 117.12 109.28 3ihb n MET 307 Ca 0.20 -0.77 -0.45 0.00 -1.81 0.00 0.00 57.70 54.87 3ihb n MET 307 Cb 1.04 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 32.02 3ihb n MET 307 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ihb s ASP 308 N -2.17 6.20 0.42 7.83 -0.00 0.68 -5.03 116.67 124.60 3ihb s ASP 308 Ca 0.34 -1.67 -0.26 0.00 -0.00 0.00 0.00 52.55 50.96 3ihb s ASP 308 Cb 0.20 -2.25 -0.09 0.00 -0.00 0.00 0.00 42.92 40.78 3ihb s ASP 308 CO 0.40 -0.96 1.45 -0.83 -0.00 0.00 0.00 175.17 175.23 3ihb s GLY 309 N 3.58 2.93 -0.42 0.21 0.00 -1.26 -4.76 107.32 107.61 3ihb s GLY 309 Ca 0.07 1.51 0.06 0.00 0.00 0.00 0.00 44.72 46.36 3ihb s GLY 309 CO 0.04 2.16 0.47 1.34 0.00 0.00 0.00 173.10 177.11 3ihb n ASP 310 N 0.05 -0.67 -4.90 1.64 2.03 -1.26 -5.14 116.55 108.30 3ihb n ASP 310 Ca 0.04 -2.59 -0.25 0.00 0.52 0.00 0.00 54.79 52.50 3ihb n ASP 310 Cb 0.41 -0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 40.54 3ihb n ASP 310 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ihb s SER 311 N -0.43 6.08 0.13 1.67 0.15 -1.26 -5.02 113.70 115.02 3ihb s SER 311 Ca 0.33 0.06 -0.13 0.00 0.70 0.00 0.00 55.95 56.91 3ihb s SER 311 Cb 0.10 -1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 3ihb s SER 311 CO -0.16 0.04 1.55 0.25 1.20 0.00 0.00 173.24 176.12 3ihb h LEU 312 N 2.07 0.83 0.00 3.45 5.85 -1.95 -3.48 115.31 122.08 3ihb h LEU 312 Ca -0.49 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 57.87 3ihb h LEU 312 Cb 1.20 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3ihb h LEU 312 CO 0.66 1.00 0.00 0.61 -0.34 0.00 0.00 178.44 180.36 3ihb n GLY 313 N -0.21 1.99 0.15 3.75 0.00 -1.26 -2.24 105.19 107.36 3ihb n GLY 313 Ca -0.01 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.68 3ihb n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihb n GLY 314 N 0.00 -0.93 0.00 -0.02 0.00 -1.22 -2.17 105.19 100.85 3ihb n GLY 314 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3ihb n GLY 314 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ihb n THR 315 N -2.23 0.24 0.19 2.61 -1.04 -0.95 -1.12 114.28 111.98 3ihb n THR 315 Ca -0.01 0.06 0.04 0.00 -2.04 0.00 0.00 64.05 62.11 3ihb n THR 315 Cb 0.07 -0.90 0.35 0.00 -1.82 0.00 0.00 70.33 68.03 3ihb n THR 315 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ihb h ALA 316 N 2.60 1.10 -1.84 2.41 0.00 -1.61 -3.37 119.26 118.54 3ihb h ALA 316 Ca 0.00 -0.36 -0.65 0.00 0.00 0.00 0.00 54.91 53.90 3ihb h ALA 316 Cb 0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.60 3ihb h ALA 316 CO 0.00 0.49 0.34 0.08 0.00 0.00 0.00 179.25 180.16 3ihb s VAL 317 N -3.78 4.57 0.11 0.00 1.01 -0.27 -0.59 120.40 121.45 3ihb s VAL 317 Ca -0.01 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3ihb s VAL 317 Cb 0.12 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3ihb s VAL 317 CO 0.70 -1.17 1.61 -0.09 0.00 0.00 0.00 175.10 176.15 3ihb h ARG 318 N 9.30 0.54 -1.42 2.72 2.43 -1.38 -3.12 114.38 123.45 3ihb h ARG 318 Ca -0.28 -0.13 0.23 0.00 -0.81 0.00 0.00 59.98 58.99 3ihb h ARG 318 Cb 1.08 -0.07 -0.21 0.00 -0.42 0.00 0.00 29.97 30.35 3ihb h ARG 318 CO 1.10 0.59 0.81 -0.59 -1.51 0.00 0.00 179.97 180.37 3ihb s PHE 319 N -5.29 -0.14 -0.25 2.20 -0.71 -1.24 -4.71 117.98 107.85 3ihb s PHE 319 Ca -0.13 0.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.89 3ihb s PHE 319 Cb 0.09 0.50 0.07 0.00 -1.21 0.00 0.00 43.02 42.47 3ihb s PHE 319 CO 0.75 -0.19 -0.00 0.08 -1.34 0.00 0.00 175.22 174.52 3ihb s VAL 320 N -2.05 1.28 -0.15 -2.49 1.01 -1.26 -2.44 120.40 114.29 3ihb s VAL 320 Ca 0.08 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 3ihb s VAL 320 Cb -0.01 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3ihb s VAL 320 CO -0.05 -0.25 -0.09 -1.61 0.00 0.00 0.00 175.10 173.10 3ihb s GLU 321 N 1.49 3.45 -1.15 2.72 2.02 -0.33 -4.78 118.70 122.12 3ihb s GLU 321 Ca -0.01 -0.63 -0.10 0.00 0.02 0.00 0.00 54.97 54.24 3ihb s GLU 321 Cb -0.18 -2.76 0.24 0.00 0.10 0.00 0.00 34.13 31.53 3ihb s GLU 321 CO -0.10 0.15 1.25 -2.13 0.02 0.00 0.00 175.26 174.45 3ihb n ARG 322 N 3.74 3.52 -0.36 1.61 3.00 -1.26 0.15 116.66 127.06 3ihb n ARG 322 Ca -0.18 -4.25 0.00 0.00 -0.00 0.00 0.00 57.85 53.43 3ihb n ARG 322 Cb 0.52 -2.72 0.14 0.00 0.00 0.00 0.00 32.46 30.41 3ihb n ARG 322 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3ihb h GLU 323 N 6.75 1.16 0.00 -0.14 4.57 -1.90 -3.47 114.58 121.55 3ihb h GLU 323 Ca 0.23 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3ihb h GLU 323 Cb 0.86 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3ihb h GLU 323 CO 1.11 0.77 0.00 0.41 -1.18 0.00 0.00 179.01 180.12 3ihb n GLY 324 N -1.36 -1.93 0.10 1.92 0.00 -1.26 -4.95 105.19 97.71 3ihb n GLY 324 Ca 0.13 0.72 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 3ihb n GLY 324 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihb n ASP 325 N -0.04 0.76 -4.92 1.61 4.64 -1.26 -4.92 116.55 112.42 3ihb n ASP 325 Ca 0.00 0.14 -0.29 0.00 -1.38 0.00 0.00 54.79 53.26 3ihb n ASP 325 Cb 0.00 0.28 -0.04 0.00 -1.04 0.00 0.00 41.12 40.33 3ihb n ASP 325 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ihb s ARG 326 N -2.54 3.55 -0.05 -0.67 1.70 -1.26 -2.33 118.95 117.36 3ihb s ARG 326 Ca -0.13 -0.25 0.07 0.00 -0.47 0.00 0.00 55.73 54.95 3ihb s ARG 326 Cb 0.07 -2.85 -0.01 0.00 -0.57 0.00 0.00 34.95 31.59 3ihb s ARG 326 CO 0.79 0.43 -0.25 0.08 -1.08 0.00 0.00 175.30 175.27 3ihb s VAL 327 N -1.79 2.07 -0.29 4.99 1.01 -0.66 -2.73 120.40 123.00 3ihb s VAL 327 Ca 0.39 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3ihb s VAL 327 Cb -0.11 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.54 3ihb s VAL 327 CO 0.28 0.57 0.07 -0.36 0.00 0.00 0.00 175.10 175.66 3ihb s PHE 328 N -0.30 3.14 -0.32 5.22 0.40 0.12 -1.68 117.98 124.57 3ihb s PHE 328 Ca 0.01 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 3ihb s PHE 328 Cb -0.13 -2.24 0.07 0.00 0.51 0.00 0.00 43.02 41.24 3ihb s PHE 328 CO 0.02 -0.58 0.02 -1.17 0.70 0.00 0.00 175.22 174.22 3ihb s LEU 329 N 1.49 4.20 -0.04 -0.37 2.96 -0.68 -1.19 118.68 125.05 3ihb s LEU 329 Ca 0.03 -1.59 -0.05 0.00 -0.22 0.00 0.00 54.13 52.29 3ihb s LEU 329 Cb -0.17 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3ihb s LEU 329 CO 0.02 -0.32 0.20 -1.00 -1.32 0.00 0.00 176.35 173.93 3ihb s HIS 330 N 1.14 3.58 0.31 5.38 3.76 -1.02 -2.37 115.29 126.06 3ihb s HIS 330 Ca -0.01 0.49 0.10 0.00 -0.15 0.00 0.00 55.06 55.49 3ihb s HIS 330 Cb -0.20 -1.92 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 3ihb s HIS 330 CO -0.04 0.67 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.95 3ihb s LEU 331 N -1.55 2.89 0.23 0.89 1.43 -0.74 -1.35 118.68 120.48 3ihb s LEU 331 Ca 0.23 -0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 52.17 3ihb s LEU 331 Cb -0.13 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.82 3ihb s LEU 331 CO 0.13 -0.11 0.64 0.00 0.23 0.00 0.00 176.35 177.24 3ihb s GLN 332 N -3.64 1.58 1.05 1.70 -2.07 0.25 -3.62 119.66 114.90 3ihb s GLN 332 Ca 0.33 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 53.00 3ihb s GLN 332 Cb -0.02 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 3ihb s GLN 332 CO 0.18 -0.70 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 3ihb n GLY 333 N -0.41 -2.08 3.48 2.60 0.00 -1.17 -4.48 105.19 103.13 3ihb n GLY 333 Ca -0.08 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 3ihb n GLY 333 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihb s VAL 334 N 0.00 4.77 -0.25 1.61 1.01 -1.26 -1.79 120.40 124.50 3ihb s VAL 334 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 3ihb s VAL 334 Cb 0.00 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3ihb s VAL 334 CO 0.00 -0.80 0.70 -0.63 0.00 0.00 0.00 175.10 174.37 3ihb s ILE 335 N 2.92 4.94 0.00 2.22 1.01 -0.34 -4.81 121.20 127.14 3ihb s ILE 335 Ca 0.20 1.28 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3ihb s ILE 335 Cb -0.17 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3ihb s ILE 335 CO 0.15 -0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.63 3ihb n ARG 336 N 5.78 1.89 -0.35 2.79 1.74 -1.26 -2.74 116.66 124.52 3ihb n ARG 336 Ca 0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 3ihb n ARG 336 Cb 0.48 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.19 3ihb n ARG 336 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3ihb h PHE 337 N 0.00 1.06 0.21 -1.55 3.57 -1.95 0.20 116.94 118.48 3ihb h PHE 337 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3ihb h PHE 337 Cb 0.00 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 3ihb h PHE 337 CO 0.00 0.33 -0.34 0.78 -2.23 0.00 0.00 178.31 176.84 3ihb h GLY 338 N 0.85 -0.72 0.58 2.40 0.00 -1.95 0.23 103.07 104.46 3ihb h GLY 338 Ca 0.53 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 48.22 3ihb h GLY 338 CO -0.33 -0.27 -0.11 -1.33 0.00 0.00 0.00 176.54 174.51 3ihb h GLY 339 N -0.63 0.20 0.11 4.60 0.00 -1.68 -2.98 103.07 102.69 3ihb h GLY 339 Ca 0.01 -0.23 0.16 0.00 0.00 0.00 0.00 47.33 47.27 3ihb h GLY 339 CO -0.14 0.20 0.38 0.00 0.00 0.00 0.00 176.54 176.98 3ihb h ALA 340 N 0.49 1.23 -0.33 3.60 0.00 -0.58 0.15 119.26 123.82 3ihb h ALA 340 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ihb h ALA 340 Cb 0.68 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3ihb h ALA 340 CO 0.02 -0.19 0.16 1.49 0.00 0.00 0.00 179.25 180.74 3ihb h GLU 341 N 0.51 0.32 -0.56 0.00 4.22 -0.53 -0.97 114.58 117.58 3ihb h GLU 341 Ca 0.46 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.82 3ihb h GLU 341 Cb 0.73 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3ihb h GLU 341 CO -0.41 0.21 0.07 0.00 -2.18 0.00 0.00 179.01 176.70 3ihb h ALA 342 N 1.17 1.07 -0.42 2.92 0.00 -0.90 -2.57 119.26 120.53 3ihb h ALA 342 Ca 0.14 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ihb h ALA 342 Cb 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3ihb h ALA 342 CO -0.10 0.60 0.20 0.28 0.00 0.00 0.00 179.25 180.23 3ihb h VAL 343 N 0.85 0.96 0.00 0.00 2.07 -0.16 -0.42 116.25 119.55 3ihb h VAL 343 Ca 0.17 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3ihb h VAL 343 Cb 0.41 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3ihb h VAL 343 CO 0.01 0.07 -0.05 -0.07 0.02 0.00 0.00 177.57 177.56 3ihb h LEU 344 N 0.41 0.00 -0.02 2.57 3.38 -0.82 -1.00 115.31 119.82 3ihb h LEU 344 Ca 0.18 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.89 3ihb h LEU 344 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ihb h LEU 344 CO -0.14 0.05 -1.07 0.44 0.09 0.00 0.00 178.44 177.81 3ihb h ASP 345 N 0.00 0.78 0.75 -0.43 3.45 -0.74 -2.48 116.42 117.75 3ihb h ASP 345 Ca -0.00 -0.65 -0.04 0.00 0.43 0.00 0.00 57.03 56.77 3ihb h ASP 345 Cb 0.15 -0.24 0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3ihb h ASP 345 CO 0.01 1.46 -0.36 0.00 -1.57 0.00 0.00 179.24 178.78 3ihb h ALA 346 N 0.48 -1.11 -0.57 3.45 0.00 -0.16 0.62 119.26 121.97 3ihb h ALA 346 Ca -0.13 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.68 3ihb h ALA 346 Cb 1.72 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 19.79 3ihb h ALA 346 CO 0.20 -1.04 -0.13 -0.07 0.00 0.00 0.00 179.25 178.21 3ihb h LEU 347 N -1.14 -0.51 -0.92 0.00 3.38 -1.38 -0.50 115.31 114.24 3ihb h LEU 347 Ca -0.10 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ihb h LEU 347 Cb 0.77 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3ihb h LEU 347 CO 0.17 -0.18 0.25 0.74 0.09 0.00 0.00 178.44 179.50 3ihb h THR 348 N 0.01 1.24 0.00 0.22 2.02 -1.43 -2.83 112.91 112.14 3ihb h THR 348 Ca 0.28 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3ihb h THR 348 Cb 0.43 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3ihb h THR 348 CO -0.58 0.32 0.00 0.47 0.37 0.00 0.00 175.52 176.09 3ihb n ASP 349 N -4.28 0.00 -4.73 4.18 10.43 0.21 -4.54 116.55 117.81 3ihb n ASP 349 Ca 0.06 -0.37 -0.32 0.00 2.57 0.00 0.00 54.79 56.73 3ihb n ASP 349 Cb 0.20 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.08 3ihb n ASP 349 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3ihb s LEU 350 N -1.24 3.69 -0.94 0.64 1.43 -1.07 -3.78 118.68 117.41 3ihb s LEU 350 Ca 0.02 0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 3ihb s LEU 350 Cb 0.01 -2.21 0.10 0.00 0.03 0.00 0.00 46.19 44.12 3ihb s LEU 350 CO 0.02 0.24 1.22 -0.13 0.23 0.00 0.00 176.35 177.93 3ihb s ARG 351 N -1.86 3.56 -0.26 1.70 1.81 -1.26 -4.71 118.95 117.93 3ihb s ARG 351 Ca 0.23 -1.48 0.10 0.00 -1.72 0.00 0.00 55.73 52.86 3ihb s ARG 351 Cb -0.12 -5.00 0.48 0.00 -0.45 0.00 0.00 34.95 29.86 3ihb s ARG 351 CO 0.15 -1.92 1.39 0.25 -0.68 0.00 0.00 175.30 174.49 3ihb n THR 352 N 5.97 2.43 -3.60 0.02 -2.24 -1.26 -4.80 114.28 110.80 3ihb n THR 352 Ca 0.25 -2.80 0.00 0.00 -2.27 0.00 0.00 64.05 59.23 3ihb n THR 352 Cb 0.49 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 3ihb n THR 352 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ihb s GLY 353 N -2.68 -0.36 -0.25 3.38 0.00 -1.26 -4.69 107.32 101.45 3ihb s GLY 353 Ca 0.42 1.30 -0.32 0.00 0.00 0.00 0.00 44.72 46.12 3ihb s GLY 353 CO -0.01 0.36 2.15 0.00 0.00 0.00 0.00 173.10 175.60 3ihb n ALA 354 N -0.28 1.31 -2.18 3.20 0.00 -1.26 -4.81 120.51 116.49 3ihb n ALA 354 Ca -0.03 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 3ihb n ALA 354 Cb 0.60 -2.68 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 3ihb n ALA 354 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3ihb s GLU 355 N 5.90 2.82 -0.48 0.00 -1.05 -1.26 -4.75 118.70 119.88 3ihb s GLU 355 Ca 1.03 -0.81 0.05 0.00 -0.15 0.00 0.00 54.97 55.09 3ihb s GLU 355 Cb -0.63 -5.20 0.41 0.00 -0.44 0.00 0.00 34.13 28.26 3ihb s GLU 355 CO 0.44 -3.28 1.13 0.36 0.95 0.00 0.00 175.26 174.86 3ihb n LYS 356 N 8.66 3.39 -0.73 -4.83 -0.00 -1.26 -5.09 118.16 118.31 3ihb n LYS 356 Ca 0.41 -4.52 -0.32 0.00 -0.00 0.00 0.00 58.31 53.88 3ihb n LYS 356 Cb 0.47 -2.25 0.15 0.00 -0.00 0.00 0.00 35.03 33.40 3ihb n LYS 356 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3ihb n PRO 357 N -0.45 -0.79 -3.64 -1.58 -0.04 -1.26 -4.97 135.00 122.28 3ihb n PRO 357 Ca 0.39 -0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 63.29 3ihb n PRO 357 Cb 0.61 -1.92 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 3ihb n PRO 357 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ihb s GLY 358 N -2.09 2.92 0.14 0.55 0.00 -1.26 -4.93 107.32 102.65 3ihb s GLY 358 Ca 0.59 -3.68 0.03 0.00 0.00 0.00 0.00 44.72 41.66 3ihb s GLY 358 CO 0.66 1.18 0.69 2.41 0.00 0.00 0.00 173.10 178.03 3ihb n THR 359 N 2.68 -0.18 0.00 0.90 -1.04 -1.26 -4.68 114.28 110.69 3ihb n THR 359 Ca 0.18 0.94 0.00 0.00 -2.04 0.00 0.00 64.05 63.13 3ihb n THR 359 Cb 0.38 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 3ihb n THR 359 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ihb n GLY 360 N -1.19 3.04 3.21 3.41 0.00 -1.26 -5.00 105.19 107.40 3ihb n GLY 360 Ca 0.12 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3ihb n GLY 360 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ihb s TRP 361 N -2.33 1.41 -0.55 1.61 1.48 -1.26 -5.11 118.94 114.19 3ihb s TRP 361 Ca 0.00 -0.44 -0.28 0.00 -1.06 0.00 0.00 56.10 54.32 3ihb s TRP 361 Cb 0.00 -0.79 0.03 0.00 -1.16 0.00 0.00 33.47 31.55 3ihb s TRP 361 CO 0.00 0.10 1.17 0.34 -4.06 0.00 0.00 176.95 174.50 3ihb s ASP 362 N -1.73 6.49 0.44 -2.66 -1.08 -1.26 -4.90 116.67 111.97 3ihb s ASP 362 Ca 0.01 0.18 0.20 0.00 -0.52 0.00 0.00 52.55 52.42 3ihb s ASP 362 Cb -0.10 -2.55 1.16 0.00 -1.46 0.00 0.00 42.92 39.97 3ihb s ASP 362 CO 0.03 -1.41 1.88 0.00 0.52 0.00 0.00 175.17 176.18 3ihb h ALA 363 N 9.46 2.31 -0.54 3.66 0.00 -1.99 0.12 119.26 132.27 3ihb h ALA 363 Ca -0.24 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3ihb h ALA 363 Cb 1.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3ihb h ALA 363 CO 1.17 -0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.91 3ihb h ALA 364 N 1.61 1.10 0.10 0.00 0.00 -1.99 -3.04 119.26 117.04 3ihb h ALA 364 Ca 0.44 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.84 3ihb h ALA 364 Cb 1.21 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ihb h ALA 364 CO -0.14 0.58 -1.17 0.28 0.00 0.00 0.00 179.25 178.81 3ihb h VAL 365 N 0.82 1.42 -2.63 0.00 2.07 -1.22 -3.38 116.25 113.33 3ihb h VAL 365 Ca 0.17 -2.75 -0.68 0.00 0.82 0.00 0.00 66.70 64.25 3ihb h VAL 365 Cb 0.40 2.75 -0.37 0.00 -1.52 0.00 0.00 31.29 32.55 3ihb h VAL 365 CO 0.01 0.81 -0.09 -1.22 0.02 0.00 0.00 177.57 177.11 3ihb n TYR 366 N -3.65 3.31 -0.18 1.57 4.02 -0.48 -4.88 117.16 116.87 3ihb n TYR 366 Ca -0.09 -3.68 0.08 0.00 -0.01 0.00 0.00 57.90 54.20 3ihb n TYR 366 Cb 0.96 -0.87 0.38 0.00 -0.02 0.00 0.00 39.34 39.80 3ihb n TYR 366 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ihb h PRO 367 N 4.89 0.67 -0.34 -0.72 0.13 -1.74 -2.09 132.00 132.80 3ihb h PRO 367 Ca 0.19 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.30 3ihb h PRO 367 Cb 0.67 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 3ihb h PRO 367 CO 0.99 0.44 0.19 0.00 -0.23 0.00 0.00 178.00 179.39 3ihb h ARG 368 N 0.69 0.38 -0.85 0.86 2.47 -1.89 -2.00 114.38 114.03 3ihb h ARG 368 Ca 0.32 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3ihb h ARG 368 Cb 0.36 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 3ihb h ARG 368 CO -0.11 0.25 0.51 -1.49 0.56 0.00 0.00 179.97 179.69 3ihb h TRP 369 N 0.39 1.12 -0.47 3.04 4.06 -1.77 -1.38 115.95 120.94 3ihb h TRP 369 Ca 0.14 -0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.98 3ihb h TRP 369 Cb 0.02 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 27.80 3ihb h TRP 369 CO -0.08 0.74 -0.13 0.37 -3.56 0.00 0.00 178.44 175.78 3ihb h GLN 370 N 1.17 0.91 0.20 0.49 4.15 -1.22 -0.46 115.11 120.36 3ihb h GLN 370 Ca 0.31 -0.36 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3ihb h GLN 370 Cb -0.05 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3ihb h GLN 370 CO -0.06 1.01 -0.10 0.93 -1.93 0.00 0.00 178.83 178.69 3ihb h GLU 371 N 0.75 -0.26 -0.98 1.69 5.08 -1.01 -0.01 114.58 119.85 3ihb h GLU 371 Ca 0.12 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3ihb h GLU 371 Cb 0.69 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 3ihb h GLU 371 CO 0.05 -0.14 0.63 0.00 -1.00 0.00 0.00 179.01 178.55 3ihb h ALA 372 N 0.49 1.45 0.00 3.43 0.00 -1.18 -0.10 119.26 123.35 3ihb h ALA 372 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3ihb h ALA 372 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ihb h ALA 372 CO 0.04 0.39 -0.35 0.00 0.00 0.00 0.00 179.25 179.34 3ihb h ALA 373 N 1.48 1.34 -0.47 0.00 0.00 -0.64 -2.83 119.26 118.13 3ihb h ALA 373 Ca 0.43 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3ihb h ALA 373 Cb 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ihb h ALA 373 CO -0.18 0.43 0.34 0.00 0.00 0.00 0.00 179.25 179.84 3ihb h ALA 374 N 1.65 2.42 -3.07 0.00 0.00 0.97 -3.11 119.26 118.12 3ihb h ALA 374 Ca -0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.23 3ihb h ALA 374 Cb 0.65 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.08 3ihb h ALA 374 CO 0.04 -0.56 -0.39 0.34 0.00 0.00 0.00 179.25 178.69 3ihb s ASP 375 N -6.32 5.20 0.50 0.00 -1.08 -1.07 -4.94 116.67 108.96 3ihb s ASP 375 Ca -0.05 -3.53 0.23 0.00 -0.52 0.00 0.00 52.55 48.68 3ihb s ASP 375 Cb 0.19 -1.76 1.31 0.00 -1.46 0.00 0.00 42.92 41.21 3ihb s ASP 375 CO 0.72 -0.18 2.05 0.08 0.52 0.00 0.00 175.17 178.36 3ihb h ARG 376 N 6.02 0.00 -0.11 4.34 0.11 -1.73 -2.36 114.38 120.65 3ihb h ARG 376 Ca 0.09 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.96 3ihb h ARG 376 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.91 3ihb h ARG 376 CO 0.76 0.14 -0.77 0.00 0.10 0.00 0.00 179.97 180.20 3ihb h ALA 377 N 1.86 0.44 -0.18 0.08 0.00 -1.92 -1.71 119.26 117.83 3ihb h ALA 377 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 3ihb h ALA 377 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ihb h ALA 377 CO 0.02 0.73 -0.32 0.00 0.00 0.00 0.00 179.25 179.67 3ihb h ALA 378 N 0.74 0.29 -0.04 0.00 0.00 -1.86 -2.48 119.26 115.90 3ihb h ALA 378 Ca -0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3ihb h ALA 378 Cb 1.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3ihb h ALA 378 CO 0.15 0.32 -0.42 1.25 0.00 0.00 0.00 179.25 180.55 3ihb h LEU 379 N 0.20 0.10 -0.86 0.00 5.85 -1.48 -2.17 115.31 116.94 3ihb h LEU 379 Ca 0.01 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3ihb h LEU 379 Cb 0.91 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3ihb h LEU 379 CO 0.07 0.51 -0.27 -1.28 -0.34 0.00 0.00 178.44 177.14 3ihb h SER 380 N 0.08 0.00 0.69 1.25 0.87 -1.25 -2.62 113.55 112.58 3ihb h SER 380 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 3ihb h SER 380 Cb 0.78 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 3ihb h SER 380 CO 0.06 0.27 -1.33 0.00 -0.53 0.00 0.00 176.83 175.29 3ihb h ALA 381 N 1.73 0.40 0.00 6.23 0.00 -1.07 0.17 119.26 126.72 3ihb h ALA 381 Ca -0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 54.91 53.76 3ihb h ALA 381 Cb 0.87 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ihb h ALA 381 CO 0.03 1.27 -0.30 0.00 0.00 0.00 0.00 179.25 180.25 3ihb h ALA 382 N 0.81 0.87 0.00 0.00 0.00 -1.25 -3.35 119.26 116.34 3ihb h ALA 382 Ca -0.15 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.16 3ihb h ALA 382 Cb 1.91 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 3ihb h ALA 382 CO 0.13 0.38 -2.21 0.25 0.00 0.00 0.00 179.25 177.81 3ihb n THR 383 N -3.27 1.21 0.00 0.00 -2.24 -1.00 -5.05 114.28 103.93 3ihb n THR 383 Ca 0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3ihb n THR 383 Cb 0.57 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 3ihb n THR 383 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihb n GLY 384 N 2.29 0.76 1.60 3.38 0.00 -0.83 -5.06 105.19 107.33 3ihb n GLY 384 Ca -0.39 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.46 3ihb n GLY 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihb n GLY 385 N 0.00 2.67 7.00 -0.02 0.00 0.52 -3.37 105.19 112.00 3ihb n GLY 385 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3ihb n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihb n GLY 386 N 0.49 2.17 1.58 -0.02 0.00 -1.26 -2.59 105.19 105.56 3ihb n GLY 386 Ca 0.22 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3ihb n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihb n ALA 387 N 6.92 3.09 -0.03 4.61 0.00 -1.18 -4.48 120.51 129.43 3ihb n ALA 387 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 53.44 51.88 3ihb n ALA 387 Cb 0.00 -1.00 0.43 0.00 0.00 0.00 0.00 19.45 18.88 3ihb n ALA 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ihb h VAL 388 N 4.04 1.06 0.00 0.00 2.07 -1.67 -1.56 116.25 120.18 3ihb h VAL 388 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3ihb h VAL 388 Cb 1.46 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3ihb h VAL 388 CO 0.23 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.92 3ihb n HIS 389 N -4.47 0.75 0.66 1.57 -0.00 -1.26 -1.67 115.22 110.80 3ihb n HIS 389 Ca 0.05 0.33 0.09 0.00 -0.00 0.00 0.00 57.72 58.18 3ihb n HIS 389 Cb 0.13 -1.03 0.39 0.00 -0.00 0.00 0.00 29.99 29.49 3ihb n HIS 389 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3ihb n GLU 390 N -2.22 0.05 -0.02 -1.40 1.02 -0.59 -2.74 120.64 114.74 3ihb n GLU 390 Ca 0.01 0.18 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 3ihb n GLU 390 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 3ihb n GLU 390 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ihb h ALA 391 N 2.66 -0.05 0.00 0.62 0.00 -1.49 -1.03 119.26 119.96 3ihb h ALA 391 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ihb h ALA 391 Cb 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ihb h ALA 391 CO 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.07 3ihb h ALA 392 N 0.01 1.71 -0.12 0.00 0.00 -1.61 -0.98 119.26 118.28 3ihb h ALA 392 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3ihb h ALA 392 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ihb h ALA 392 CO 0.01 0.05 -0.24 0.00 0.00 0.00 0.00 179.25 179.07 3ihb h ALA 393 N 1.96 0.19 -0.74 0.00 0.00 -1.45 -0.49 119.26 118.73 3ihb h ALA 393 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3ihb h ALA 393 Cb 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ihb h ALA 393 CO 0.01 0.16 0.41 0.00 0.00 0.00 0.00 179.25 179.83 3ihb h ALA 394 N 0.53 0.94 0.00 0.00 0.00 -0.43 0.16 119.26 120.46 3ihb h ALA 394 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ihb h ALA 394 Cb 0.83 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ihb h ALA 394 CO 0.05 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3ihb n ALA 395 N -2.35 2.55 -1.12 0.00 0.00 -0.44 -3.84 120.51 115.31 3ihb n ALA 395 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ihb n ALA 395 Cb 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3ihb n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ihb n ALA 396 N -1.03 0.00 -0.42 0.00 0.00 0.55 -4.15 120.51 115.46 3ihb n ALA 396 Ca 0.21 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.97 3ihb n ALA 396 Cb 0.11 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.07 3ihb n ALA 396 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ihb n ARG 397 N 0.00 -0.01 0.10 0.00 0.00 -1.26 0.14 116.66 115.64 3ihb n ARG 397 Ca 0.00 0.73 -0.00 0.00 -0.00 0.00 0.00 57.85 58.58 3ihb n ARG 397 Cb 0.00 -1.61 0.29 0.00 0.00 0.00 0.00 32.46 31.14 3ihb n ARG 397 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3ihb h ASP 398 N 0.00 0.24 1.38 6.15 3.32 -1.76 -2.68 116.42 123.06 3ihb h ASP 398 Ca 0.60 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3ihb h ASP 398 Cb 2.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.76 3ihb h ASP 398 CO -0.09 0.54 0.00 -0.62 -1.72 0.00 0.00 179.24 177.35 3ihb n GLU 399 N -4.12 0.24 0.31 3.56 -0.58 0.38 -2.91 120.64 117.52 3ihb n GLU 399 Ca -0.01 0.23 0.19 0.00 -0.42 0.00 0.00 57.16 57.14 3ihb n GLU 399 Cb 0.39 -1.80 1.04 0.00 -0.57 0.00 0.00 31.44 30.50 3ihb n GLU 399 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3ihb h ASN 400 N 0.00 0.00 -2.80 1.62 -0.73 -1.51 -3.29 115.58 108.87 3ihb h ASN 400 Ca 0.00 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.58 3ihb h ASN 400 Cb 0.69 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 38.89 3ihb h ASN 400 CO 0.00 0.00 -0.83 1.51 -0.37 0.00 0.00 177.43 177.74 3ihb s ASP 401 N -5.53 2.99 0.00 1.15 -4.77 -1.14 -5.08 116.67 104.28 3ihb s ASP 401 Ca -0.05 -2.44 0.00 0.00 -3.30 0.00 0.00 52.55 46.76 3ihb s ASP 401 Cb 0.14 -0.59 0.00 0.00 -1.09 0.00 0.00 42.92 41.38 3ihb s ASP 401 CO 0.47 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.67 3ihb n GLY 402 N 3.72 2.52 3.95 2.12 0.00 -1.24 -4.99 105.19 111.26 3ihb n GLY 402 Ca 0.13 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 3ihb n GLY 402 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ihb s PRO 403 N -5.10 3.15 -0.08 1.61 0.04 -1.26 -4.41 135.00 128.94 3ihb s PRO 403 Ca 0.00 -0.40 -0.22 0.00 0.04 0.00 0.00 61.00 60.42 3ihb s PRO 403 Cb 0.00 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 3ihb s PRO 403 CO 0.00 -0.22 0.65 0.42 0.04 0.00 0.00 177.00 177.88 3ihb s ILE 404 N -2.55 5.08 -0.00 0.56 1.01 -1.26 -4.77 121.20 119.27 3ihb s ILE 404 Ca 0.47 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.45 3ihb s ILE 404 Cb -0.10 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3ihb s ILE 404 CO 0.38 0.27 0.01 0.54 0.00 0.00 0.00 174.94 176.14 3ihb n ARG 405 N 3.79 0.85 -3.99 2.79 1.74 -0.98 -4.91 116.66 115.95 3ihb n ARG 405 Ca -0.03 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 3ihb n ARG 405 Cb 0.51 -1.01 -0.13 0.00 -1.02 0.00 0.00 32.46 30.81 3ihb n ARG 405 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ihb s THR 406 N -2.03 0.19 -0.07 0.55 2.01 -1.26 0.48 115.64 115.50 3ihb s THR 406 Ca -0.00 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.60 3ihb s THR 406 Cb 0.00 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.31 3ihb s THR 406 CO 0.02 -0.14 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.05 3ihb s VAL 407 N -0.55 0.85 -0.23 3.82 1.01 0.16 -1.65 120.40 123.81 3ihb s VAL 407 Ca -0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3ihb s VAL 407 Cb -0.04 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3ihb s VAL 407 CO -0.00 0.31 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3ihb s VAL 408 N 1.20 4.80 -0.40 2.92 1.01 -0.67 -1.41 120.40 127.85 3ihb s VAL 408 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 3ihb s VAL 408 Cb -0.14 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.06 3ihb s VAL 408 CO -0.02 0.36 0.24 -0.76 0.00 0.00 0.00 175.10 174.93 3ihb s LEU 409 N 1.17 4.96 -0.24 3.92 1.43 -0.27 -1.68 118.68 127.96 3ihb s LEU 409 Ca 0.05 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 51.85 3ihb s LEU 409 Cb -0.14 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 3ihb s LEU 409 CO 0.04 -0.46 0.19 0.21 0.23 0.00 0.00 176.35 176.55 3ihb s ASN 410 N 1.84 6.13 -0.02 2.29 3.84 -1.00 -0.31 114.94 127.71 3ihb s ASN 410 Ca 0.02 0.13 0.10 0.00 0.21 0.00 0.00 52.86 53.32 3ihb s ASN 410 Cb -0.21 -2.12 0.28 0.00 -0.55 0.00 0.00 41.25 38.65 3ihb s ASN 410 CO 0.05 0.03 1.23 0.18 -2.79 0.00 0.00 177.10 175.80 3ihb n LEU 411 N 4.44 2.87 -0.27 3.21 4.77 -0.53 -1.79 117.00 129.70 3ihb n LEU 411 Ca -0.14 -2.12 0.03 0.00 -0.03 0.00 0.00 56.01 53.75 3ihb n LEU 411 Cb 0.52 -0.23 0.17 0.00 -2.33 0.00 0.00 43.42 41.55 3ihb n LEU 411 CO 0.35 0.69 1.09 0.00 -1.33 0.00 0.00 177.39 178.19 3ihb h ALA 412 N 1.66 1.11 0.00 -1.18 0.00 -1.84 -1.20 119.26 117.81 3ihb h ALA 412 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ihb h ALA 412 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ihb h ALA 412 CO 0.02 -0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3ihb n ARG 413 N -4.84 0.82 -2.99 0.00 5.12 -1.26 -4.80 116.66 108.71 3ihb n ARG 413 Ca 0.13 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.66 3ihb n ARG 413 Cb 0.32 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.07 3ihb n ARG 413 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ihb s VAL 414 N -2.17 4.85 -0.10 1.55 1.01 -0.45 -3.05 120.40 122.04 3ihb s VAL 414 Ca 0.41 1.59 -0.26 0.00 0.00 0.00 0.00 61.98 63.71 3ihb s VAL 414 Cb 0.21 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 32.22 3ihb s VAL 414 CO 0.39 0.32 0.83 0.44 0.00 0.00 0.00 175.10 177.07 3ihb h ASP 415 N 6.09 0.16 -5.31 3.32 3.32 -1.65 -3.46 116.42 118.88 3ihb h ASP 415 Ca -0.43 -0.97 0.17 0.00 0.02 0.00 0.00 57.03 55.82 3ihb h ASP 415 Cb 1.20 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 3ihb h ASP 415 CO 0.72 1.12 0.47 0.00 -1.72 0.00 0.00 179.24 179.83 3ihb s ARG 416 N -2.36 1.25 -0.21 3.56 1.70 -1.25 -5.03 118.95 116.62 3ihb s ARG 416 Ca -0.17 -0.70 -0.15 0.00 -0.47 0.00 0.00 55.73 54.24 3ihb s ARG 416 Cb -0.02 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 34.84 3ihb s ARG 416 CO 0.74 -0.57 0.53 -1.50 -1.08 0.00 0.00 175.30 173.41 3ihb s ILE 417 N -3.26 -0.01 0.88 4.99 2.07 -1.26 -1.19 121.20 123.41 3ihb s ILE 417 Ca 0.13 0.03 -0.15 0.00 -1.41 0.00 0.00 60.65 59.25 3ihb s ILE 417 Cb -0.02 -0.75 0.21 0.00 0.13 0.00 0.00 42.46 42.03 3ihb s ILE 417 CO 0.03 0.01 1.06 -0.90 -1.91 0.00 0.00 174.94 173.23 3ihb n ASP 418 N 3.50 -0.44 -0.24 4.50 5.68 -1.11 -4.81 116.55 123.63 3ihb n ASP 418 Ca -0.18 -1.31 -0.08 0.00 -0.50 0.00 0.00 54.79 52.73 3ihb n ASP 418 Cb 0.56 -0.85 0.04 0.00 -1.14 0.00 0.00 41.12 39.73 3ihb n ASP 418 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ihb h ASP 419 N -1.72 0.99 -0.65 -1.12 3.32 -1.98 -1.96 116.42 113.29 3ihb h ASP 419 Ca -0.36 -0.23 0.07 0.00 0.02 0.00 0.00 57.03 56.54 3ihb h ASP 419 Cb 1.01 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.24 3ihb h ASP 419 CO 0.25 0.96 0.34 0.58 -1.72 0.00 0.00 179.24 179.64 3ihb h VAL 420 N 0.98 0.91 -0.18 -1.35 2.07 -1.94 0.85 116.25 117.58 3ihb h VAL 420 Ca 0.21 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3ihb h VAL 420 Cb 0.34 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3ihb h VAL 420 CO -0.00 0.11 0.04 1.23 0.02 0.00 0.00 177.57 178.97 3ihb h GLY 421 N 0.61 0.32 0.56 2.17 0.00 -1.75 -2.03 103.07 102.94 3ihb h GLY 421 Ca 0.31 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3ihb h GLY 421 CO -0.22 0.18 -0.25 3.21 0.00 0.00 0.00 176.54 179.47 3ihb h ARG 422 N 0.11 -0.44 -0.82 4.80 3.08 -0.66 0.68 114.38 121.13 3ihb h ARG 422 Ca 0.06 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3ihb h ARG 422 Cb 0.27 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 3ihb h ARG 422 CO 0.00 -0.29 0.47 0.00 -1.07 0.00 0.00 179.97 179.07 3ihb h ARG 423 N -0.46 1.12 -0.02 0.04 3.08 -0.87 0.13 114.38 117.40 3ihb h ARG 423 Ca 0.03 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3ihb h ARG 423 Cb 0.48 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3ihb h ARG 423 CO -0.15 0.81 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.46 3ihb h LEU 424 N 1.13 0.07 -1.18 3.04 3.38 -1.08 -1.66 115.31 119.02 3ihb h LEU 424 Ca 0.29 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3ihb h LEU 424 Cb -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ihb h LEU 424 CO -0.05 0.61 -0.00 0.40 0.09 0.00 0.00 178.44 179.48 3ihb h ILE 425 N -0.47 1.21 0.36 1.22 2.04 -0.82 -1.13 117.51 119.92 3ihb h ILE 425 Ca 0.00 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3ihb h ILE 425 Cb 0.59 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3ihb h ILE 425 CO 0.01 0.28 -0.17 0.00 0.00 0.00 0.00 178.15 178.27 3ihb h ALA 426 N 1.46 -0.48 -0.89 1.87 0.00 -0.70 -2.22 119.26 118.30 3ihb h ALA 426 Ca 0.11 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3ihb h ALA 426 Cb 0.35 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3ihb h ALA 426 CO 0.01 -0.76 0.58 1.49 0.00 0.00 0.00 179.25 180.57 3ihb h GLU 427 N -0.51 0.93 -0.21 0.00 4.57 -0.98 -0.62 114.58 117.76 3ihb h GLU 427 Ca -0.05 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3ihb h GLU 427 Cb 0.39 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3ihb h GLU 427 CO 0.08 0.62 -0.06 0.78 -1.18 0.00 0.00 179.01 179.25 3ihb h GLY 428 N 0.96 0.35 1.51 1.92 0.00 -0.86 -1.58 103.07 105.36 3ihb h GLY 428 Ca 0.40 -0.20 -0.25 0.00 0.00 0.00 0.00 47.33 47.27 3ihb h GLY 428 CO -0.16 0.19 -1.08 -2.08 0.00 0.00 0.00 176.54 173.40 3ihb h VAL 429 N 0.31 1.41 -0.91 4.60 2.07 -0.60 -2.56 116.25 120.57 3ihb h VAL 429 Ca 0.07 -2.62 -0.00 0.00 0.82 0.00 0.00 66.70 64.96 3ihb h VAL 429 Cb 0.31 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 3ihb h VAL 429 CO 0.01 0.78 0.56 -0.09 0.02 0.00 0.00 177.57 178.85 3ihb h ARG 430 N 0.20 1.23 0.00 1.57 2.43 -0.70 -2.03 114.38 117.08 3ihb h ARG 430 Ca -0.12 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3ihb h ARG 430 Cb 1.75 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 31.04 3ihb h ARG 430 CO 0.19 0.86 -0.08 0.00 -1.51 0.00 0.00 179.97 179.43 3ihb h ARG 431 N 1.25 0.00 0.11 0.20 3.08 -1.28 -2.81 114.38 114.94 3ihb h ARG 431 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3ihb h ARG 431 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3ihb h ARG 431 CO -0.06 0.08 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.80 3ihb h LEU 432 N 0.00 -0.12 -1.78 3.04 3.38 -0.95 -3.12 115.31 115.77 3ihb h LEU 432 Ca -0.00 -0.44 0.12 0.00 0.09 0.00 0.00 57.88 57.65 3ihb h LEU 432 Cb 0.79 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3ihb h LEU 432 CO 0.01 0.44 0.39 1.56 0.09 0.00 0.00 178.44 180.93 3ihb h GLN 433 N -0.75 0.23 0.00 1.13 4.20 -1.47 0.41 115.11 118.86 3ihb h GLN 433 Ca -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3ihb h GLN 433 Cb 0.56 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3ihb h GLN 433 CO 0.02 0.15 -0.10 0.00 -0.67 0.00 0.00 178.83 178.24 3ihb h ALA 434 N 1.72 1.17 -0.10 3.87 0.00 -1.44 0.02 119.26 124.50 3ihb h ALA 434 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ihb h ALA 434 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ihb h ALA 434 CO -0.05 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 3ihb n ASP 435 N -3.45 0.93 -0.31 0.00 8.00 0.14 -4.86 116.55 117.01 3ihb n ASP 435 Ca -0.01 -1.62 -0.03 0.00 0.71 0.00 0.00 54.79 53.83 3ihb n ASP 435 Cb 0.25 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 3ihb n ASP 435 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihb n GLY 436 N 0.96 0.42 3.80 0.44 0.00 -0.01 -4.94 105.19 105.86 3ihb n GLY 436 Ca 0.14 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 3ihb n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihb s VAL 437 N -2.14 5.17 0.21 1.61 1.01 -1.18 -4.98 120.40 120.10 3ihb s VAL 437 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 3ihb s VAL 437 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 3ihb s VAL 437 CO 0.00 0.58 0.92 -0.60 0.00 0.00 0.00 175.10 176.00 3ihb s ARG 438 N -0.69 4.79 -0.13 2.72 3.52 0.18 -3.84 118.95 125.49 3ihb s ARG 438 Ca 0.13 1.43 -0.01 0.00 -0.13 0.00 0.00 55.73 57.15 3ihb s ARG 438 Cb -0.12 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 3ihb s ARG 438 CO 0.03 0.48 -0.03 0.08 -0.81 0.00 0.00 175.30 175.04 3ihb s VAL 439 N -0.99 0.81 -0.16 7.11 1.01 -1.26 0.40 120.40 127.32 3ihb s VAL 439 Ca 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3ihb s VAL 439 Cb -0.25 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.14 3ihb s VAL 439 CO 0.31 0.17 -0.17 -1.83 0.00 0.00 0.00 175.10 173.58 3ihb s GLU 440 N 1.78 3.15 -0.44 2.72 -1.05 -0.50 -4.98 118.70 119.38 3ihb s GLU 440 Ca 0.03 -0.77 -0.17 0.00 -0.15 0.00 0.00 54.97 53.90 3ihb s GLU 440 Cb -0.14 -2.61 0.04 0.00 -0.44 0.00 0.00 34.13 30.98 3ihb s GLU 440 CO -0.07 -0.05 0.44 0.08 0.95 0.00 0.00 175.26 176.61 3ihb s VAL 441 N 0.95 5.10 -0.68 1.83 1.01 -1.26 -1.12 120.40 126.24 3ihb s VAL 441 Ca -0.03 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 3ihb s VAL 441 Cb -0.15 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.24 3ihb s VAL 441 CO -0.03 -0.49 0.91 -1.61 0.00 0.00 0.00 175.10 173.88 3ihb s GLU 442 N 2.06 3.16 -0.54 2.72 2.02 0.58 -4.94 118.70 123.76 3ihb s GLU 442 Ca 0.10 -1.11 0.04 0.00 0.02 0.00 0.00 54.97 54.02 3ihb s GLU 442 Cb -0.19 -4.33 0.15 0.00 0.10 0.00 0.00 34.13 29.86 3ihb s GLU 442 CO 0.12 -1.73 0.35 0.34 0.02 0.00 0.00 175.26 174.35 3ihb s ASP 443 N 3.65 3.82 0.01 -0.19 -1.08 -1.26 -1.45 116.67 120.16 3ihb s ASP 443 Ca 0.20 -3.19 -0.02 0.00 -0.52 0.00 0.00 52.55 49.02 3ihb s ASP 443 Cb -0.17 -1.25 -0.01 0.00 -1.46 0.00 0.00 42.92 40.03 3ihb s ASP 443 CO 0.06 -0.18 1.04 1.55 0.52 0.00 0.00 175.17 178.16 3ihb h PRO 444 N 6.05 -0.03 -5.02 4.34 0.13 -1.92 -3.21 132.00 132.34 3ihb h PRO 444 Ca 0.08 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.51 3ihb h PRO 444 Cb 0.86 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.82 3ihb h PRO 444 CO 0.58 -0.02 0.94 -1.21 -0.23 0.00 0.00 178.00 178.06 3ihb s GLU 445 N -3.19 3.68 -0.35 0.86 2.02 -1.26 -4.92 118.70 115.55 3ihb s GLU 445 Ca -0.01 -1.87 -0.04 0.00 0.02 0.00 0.00 54.97 53.07 3ihb s GLU 445 Cb 0.01 -4.96 -0.11 0.00 0.10 0.00 0.00 34.13 29.17 3ihb s GLU 445 CO 0.04 -1.79 0.77 0.54 0.02 0.00 0.00 175.26 174.85 3ihb n ARG 446 N 6.49 0.00 -0.08 1.61 1.74 -1.21 -4.74 116.66 120.47 3ihb n ARG 446 Ca 0.26 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.25 3ihb n ARG 446 Cb 0.48 -0.37 -0.09 0.00 -1.02 0.00 0.00 32.46 31.46 3ihb n ARG 446 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3ihb n ILE 447 N 2.00 0.98 -0.07 0.55 5.41 -1.26 -4.81 119.36 122.16 3ihb n ILE 447 Ca 0.23 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 63.36 3ihb n ILE 447 Cb 0.04 -0.90 -0.10 0.00 -0.71 0.00 0.00 39.64 37.98 3ihb n ILE 447 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3ihb h LEU 448 N 0.00 -1.79 -9.13 1.39 5.85 -1.95 -3.45 115.31 106.22 3ihb h LEU 448 Ca -0.38 0.22 -0.50 0.00 0.84 0.00 0.00 57.88 58.06 3ihb h LEU 448 Cb 1.72 0.72 0.25 0.00 0.37 0.00 0.00 40.66 43.71 3ihb h LEU 448 CO -0.02 -0.44 -2.20 -2.65 -0.34 0.00 0.00 178.44 172.79 3ihb n PRO 449 N -5.38 -0.23 0.00 5.25 -0.02 -1.26 -4.82 135.00 128.54 3ihb n PRO 449 Ca -0.05 -0.06 0.07 0.00 -2.02 0.00 0.00 63.50 61.44 3ihb n PRO 449 Cb 0.36 -1.14 0.06 0.00 -0.02 0.00 0.00 33.50 32.76 3ihb n PRO 449 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95