#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 3.50 0.22 3.17 1.70 -1.26 -5.04 118.95 121.24 3ihb s ARG 2 Ca 0.00 -0.09 -0.32 0.00 -0.47 0.00 0.00 55.73 54.85 3ihb s ARG 2 Cb 0.00 -3.17 -0.13 0.00 -0.57 0.00 0.00 34.95 31.07 3ihb s ARG 2 CO 0.00 0.75 1.53 1.58 -1.08 0.00 0.00 175.30 178.08 3ihb n HIS 3 N 1.78 2.38 0.32 5.89 -0.00 -1.26 -4.89 115.22 119.43 3ihb n HIS 3 Ca -0.18 0.31 0.13 0.00 -0.00 0.00 0.00 57.72 57.98 3ihb n HIS 3 Cb 0.54 -2.53 0.35 0.00 -0.00 0.00 0.00 29.99 28.35 3ihb n HIS 3 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3ihb h PRO 4 N 5.15 0.00 -0.16 1.57 0.13 -2.01 -3.36 132.00 133.32 3ihb h PRO 4 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 3ihb h PRO 4 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3ihb h PRO 4 CO 0.83 0.00 0.05 0.82 -0.23 0.00 0.00 178.00 179.47 3ihb h ILE 5 N 0.00 0.96 -0.76 -3.56 1.08 -2.00 -1.63 117.51 111.60 3ihb h ILE 5 Ca 0.00 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 3ihb h ILE 5 Cb 0.80 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 3ihb h ILE 5 CO 0.00 0.02 0.50 -0.65 -0.69 0.00 0.00 178.15 177.33 3ihb h PRO 6 N 0.13 0.82 -0.12 2.37 0.11 -1.88 0.32 132.00 133.75 3ihb h PRO 6 Ca 0.07 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 3ihb h PRO 6 Cb 0.04 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3ihb h PRO 6 CO -0.07 0.54 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.53 3ihb h ASP 7 N 0.85 0.23 -0.63 -2.05 3.32 -1.63 -0.63 116.42 115.88 3ihb h ASP 7 Ca 0.32 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 3ihb h ASP 7 Cb 0.18 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3ihb h ASP 7 CO -0.10 0.53 0.29 0.22 -1.72 0.00 0.00 179.24 178.46 3ihb h TYR 8 N 0.21 0.91 -0.48 4.55 3.20 -0.00 -1.62 116.97 123.73 3ihb h TYR 8 Ca 0.03 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 3ihb h TYR 8 Cb 0.63 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3ihb h TYR 8 CO 0.01 0.69 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.03 3ihb h LEU 9 N 0.86 0.89 -0.60 2.82 3.38 -0.66 -1.37 115.31 120.63 3ihb h LEU 9 Ca 0.21 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3ihb h LEU 9 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ihb h LEU 9 CO -0.03 1.02 -0.00 0.00 0.09 0.00 0.00 178.44 179.52 3ihb h ALA 10 N 1.06 0.81 -0.49 1.53 0.00 -0.95 0.07 119.26 121.28 3ihb h ALA 10 Ca 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3ihb h ALA 10 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ihb h ALA 10 CO 0.05 0.65 0.07 0.77 0.00 0.00 0.00 179.25 180.78 3ihb h SER 11 N 0.96 0.80 -0.66 0.00 0.02 -1.15 -1.61 113.55 111.90 3ihb h SER 11 Ca 0.17 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3ihb h SER 11 Cb 0.56 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3ihb h SER 11 CO 0.03 0.86 0.33 0.25 -1.14 0.00 0.00 176.83 177.16 3ihb h LEU 12 N 0.70 0.86 -0.70 5.07 5.85 -0.99 0.18 115.31 126.27 3ihb h LEU 12 Ca 0.15 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ihb h LEU 12 Cb 0.42 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3ihb h LEU 12 CO 0.01 0.74 0.45 0.58 -0.34 0.00 0.00 178.44 179.88 3ihb h VAL 13 N 0.91 1.19 -0.02 1.05 2.07 -0.74 -0.73 116.25 119.98 3ihb h VAL 13 Ca 0.23 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 3ihb h VAL 13 Cb 0.10 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3ihb h VAL 13 CO -0.03 0.19 -0.74 0.74 0.02 0.00 0.00 177.57 177.75 3ihb h THR 14 N 0.95 1.47 0.35 2.57 2.02 -0.93 0.63 112.91 119.98 3ihb h THR 14 Ca 0.25 -2.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.04 3ihb h THR 14 Cb -0.08 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3ihb h THR 14 CO -0.05 0.69 -0.17 -0.08 0.37 0.00 0.00 175.52 176.28 3ihb h GLU 15 N 0.08 -0.45 0.00 6.66 4.81 -0.27 -3.20 114.58 122.21 3ihb h GLU 15 Ca -0.02 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3ihb h GLU 15 Cb 1.31 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 3ihb h GLU 15 CO 0.11 -0.30 -0.07 -0.07 -0.73 0.00 0.00 179.01 177.94 3ihb h LEU 16 N -0.91 0.00 0.00 1.64 3.38 -1.28 -2.38 115.31 115.76 3ihb h LEU 16 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ihb h LEU 16 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ihb h LEU 16 CO 0.08 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3ihb n GLY 17 N -0.07 -0.74 0.21 0.83 0.00 0.21 -3.14 105.19 102.50 3ihb n GLY 17 Ca 0.00 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 3.46 1.00 -2.63 4.61 0.00 -1.42 -3.45 119.26 120.84 3ihb h ALA 18 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3ihb h ALA 18 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 3ihb h ALA 18 CO 0.00 0.00 -0.60 0.14 0.00 0.00 0.00 179.25 178.79 3ihb s VAL 19 N -3.52 0.00 -0.45 0.00 -7.23 -1.19 -5.11 120.40 102.90 3ihb s VAL 19 Ca 0.02 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 3ihb s VAL 19 Cb 0.09 -2.49 0.28 0.00 0.56 0.00 0.00 36.38 34.81 3ihb s VAL 19 CO 0.45 0.00 0.86 -3.20 -0.31 0.00 0.00 175.10 172.90 3ihb n ASN 20 N -0.40 -1.73 -4.70 4.85 2.85 -1.26 -5.02 115.26 109.84 3ihb n ASN 20 Ca 0.02 -3.26 -0.29 0.00 -0.11 0.00 0.00 54.58 50.94 3ihb n ASN 20 Cb 0.66 1.11 0.16 0.00 1.24 0.00 0.00 39.78 42.94 3ihb n ASN 20 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3ihb s PRO 21 N -0.14 0.69 0.42 1.20 0.04 -1.26 -4.89 135.00 131.06 3ihb s PRO 21 Ca 0.31 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.87 3ihb s PRO 21 Cb 0.25 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 33.02 3ihb s PRO 21 CO -0.15 -2.56 0.00 0.41 0.04 0.00 0.00 177.00 174.74 3ihb n GLY 22 N -1.29 -1.81 3.45 0.56 0.00 -1.26 -4.62 105.19 100.21 3ihb n GLY 22 Ca 0.06 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 3ihb n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ihb s GLU 23 N 0.00 0.91 0.70 1.61 2.12 -0.97 -4.83 118.70 118.24 3ihb s GLU 23 Ca 0.00 0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.43 3ihb s GLU 23 Cb 0.00 0.43 0.02 0.00 0.26 0.00 0.00 34.13 34.84 3ihb s GLU 23 CO 0.00 -0.26 1.09 0.95 -0.54 0.00 0.00 175.26 176.50 3ihb s THR 24 N -1.01 3.42 -0.12 -1.70 -4.23 -1.26 -0.48 115.64 110.27 3ihb s THR 24 Ca -0.10 0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 60.66 3ihb s THR 24 Cb -0.02 -3.09 -0.09 0.00 1.34 0.00 0.00 72.50 70.64 3ihb s THR 24 CO 0.07 -0.51 2.04 0.00 -0.54 0.00 0.00 174.62 175.68 3ihb n ALA 25 N -2.87 1.35 0.04 3.99 0.00 -1.26 -4.86 120.51 116.90 3ihb n ALA 25 Ca 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 3ihb n ALA 25 Cb 0.53 -2.67 -0.09 0.00 0.00 0.00 0.00 19.45 17.21 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 11.57 0.00 -0.78 0.00 1.08 -1.90 -2.30 115.11 122.78 3ihb h GLN 26 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3ihb h GLN 26 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 3ihb h GLN 26 CO 0.96 0.55 0.00 2.48 -0.95 0.00 0.00 178.83 181.87 3ihb n TYR 27 N -3.10 0.00 -3.15 2.96 0.18 -1.26 -4.27 117.16 108.52 3ihb n TYR 27 Ca -0.07 -0.07 0.04 0.00 1.88 0.00 0.00 57.90 59.68 3ihb n TYR 27 Cb 0.91 -0.09 -0.01 0.00 -0.38 0.00 0.00 39.34 39.77 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 -0.63 -0.82 0.35 -3.48 1.01 -1.26 -4.98 121.20 111.39 3ihb s ILE 28 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 60.65 60.77 3ihb s ILE 28 Cb 0.00 -0.99 0.34 0.00 0.01 0.00 0.00 42.46 41.81 3ihb s ILE 28 CO 0.00 0.00 1.79 1.55 0.00 0.00 0.00 174.94 178.28 3ihb h PRO 29 N 7.99 0.57 -0.32 2.79 0.13 -1.87 0.21 132.00 141.51 3ihb h PRO 29 Ca -0.20 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 3ihb h PRO 29 Cb 1.16 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 3ihb h PRO 29 CO 0.16 0.38 0.01 -0.24 -0.23 0.00 0.00 178.00 178.08 3ihb h VAL 30 N 0.59 1.18 0.03 1.56 3.04 -1.94 0.23 116.25 120.95 3ihb h VAL 30 Ca 0.56 -0.71 -0.28 0.00 -1.01 0.00 0.00 66.70 65.26 3ihb h VAL 30 Cb 1.11 0.93 -0.03 0.00 -2.01 0.00 0.00 31.29 31.29 3ihb h VAL 30 CO -0.32 0.25 -1.51 -0.07 -1.01 0.00 0.00 177.57 174.91 3ihb h LEU 31 N 0.47 0.11 -0.62 3.16 3.38 -1.59 -3.25 115.31 116.98 3ihb h LEU 31 Ca 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ihb h LEU 31 Cb 0.29 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3ihb h LEU 31 CO 0.01 1.15 0.34 0.00 0.09 0.00 0.00 178.44 180.03 3ihb h ALA 32 N 0.83 0.79 -0.57 1.53 0.00 -0.01 -3.01 119.26 118.82 3ihb h ALA 32 Ca -0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ihb h ALA 32 Cb 1.95 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3ihb h ALA 32 CO 0.11 0.30 0.00 0.39 0.00 0.00 0.00 179.25 180.05 3ihb n GLU 33 N -4.57 4.14 -1.80 0.00 1.02 0.02 -4.82 120.64 114.62 3ihb n GLU 33 Ca 0.04 -2.81 -0.34 0.00 -0.02 0.00 0.00 57.16 54.04 3ihb n GLU 33 Cb 0.08 -2.05 0.05 0.00 -0.02 0.00 0.00 31.44 29.49 3ihb n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ihb s ALA 34 N -2.27 2.45 -0.14 0.62 0.00 -1.14 -4.90 121.76 116.39 3ihb s ALA 34 Ca 0.49 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 3ihb s ALA 34 Cb 0.35 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 3ihb s ALA 34 CO 0.19 -1.29 1.84 0.34 0.00 0.00 0.00 175.76 176.84 3ihb s ASP 35 N -2.30 6.21 0.07 0.00 2.15 -1.26 -4.86 116.67 116.68 3ihb s ASP 35 Ca 0.70 1.99 0.25 0.00 0.43 0.00 0.00 52.55 55.91 3ihb s ASP 35 Cb -0.23 -2.53 0.99 0.00 -0.30 0.00 0.00 42.92 40.85 3ihb s ASP 35 CO 0.39 -1.34 1.77 -0.81 -0.17 0.00 0.00 175.17 175.01 3ihb n PRO 36 N 7.83 0.07 -2.41 4.34 -0.04 -1.26 -4.40 135.00 139.13 3ihb n PRO 36 Ca 0.21 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 3ihb n PRO 36 Cb 0.44 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3ihb n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ihb n ASP 37 N -1.72 5.18 -3.77 3.54 4.64 -1.26 -4.73 116.55 118.44 3ihb n ASP 37 Ca 0.05 -3.12 -0.13 0.00 -1.38 0.00 0.00 54.79 50.21 3ihb n ASP 37 Cb 0.31 -1.47 -0.10 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 0.22 0.54 -0.30 -0.67 0.52 -1.26 -5.12 118.95 112.89 3ihb s ARG 38 Ca 0.39 0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 55.56 3ihb s ARG 38 Cb 0.09 0.25 0.17 0.00 0.52 0.00 0.00 34.95 35.97 3ihb s ARG 38 CO 0.01 -0.13 0.80 0.12 0.02 0.00 0.00 175.30 176.13 3ihb s PHE 39 N -0.74 -1.09 0.14 -0.53 5.36 -1.26 -4.33 117.98 115.52 3ihb s PHE 39 Ca -0.08 1.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.37 3ihb s PHE 39 Cb -0.04 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.09 3ihb s PHE 39 CO 0.03 -0.58 -0.02 0.20 -1.46 0.00 0.00 175.22 173.39 3ihb s GLY 40 N 2.79 1.03 -0.27 13.12 0.00 -0.56 -1.70 107.32 121.74 3ihb s GLY 40 Ca 0.05 -1.49 -0.22 0.00 0.00 0.00 0.00 44.72 43.06 3ihb s GLY 40 CO -0.18 -1.49 0.71 -1.50 0.00 0.00 0.00 173.10 170.65 3ihb s ILE 41 N -3.68 -0.00 0.11 0.90 2.07 -0.77 -0.82 121.20 119.02 3ihb s ILE 41 Ca 0.19 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.47 3ihb s ILE 41 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3ihb s ILE 41 CO 0.01 0.00 -0.10 0.00 -1.91 0.00 0.00 174.94 172.94 3ihb s ALA 42 N 0.78 1.19 -0.02 1.50 0.00 -0.20 -1.52 121.76 123.49 3ihb s ALA 42 Ca -0.03 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.64 3ihb s ALA 42 Cb -0.05 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3ihb s ALA 42 CO -0.06 -0.08 -0.03 -0.51 0.00 0.00 0.00 175.76 175.08 3ihb s LEU 43 N -2.74 1.54 -0.16 0.00 1.43 0.17 -2.10 118.68 116.82 3ihb s LEU 43 Ca 0.10 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3ihb s LEU 43 Cb -0.00 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.93 3ihb s LEU 43 CO -0.01 -0.02 -0.21 0.00 0.23 0.00 0.00 176.35 176.34 3ihb s ALA 44 N 0.55 2.29 0.58 4.21 0.00 -0.11 -0.96 121.76 128.32 3ihb s ALA 44 Ca -0.06 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 3ihb s ALA 44 Cb -0.10 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 3ihb s ALA 44 CO -0.00 -0.19 0.92 0.95 0.00 0.00 0.00 175.76 177.43 3ihb s THR 45 N 1.05 4.19 0.48 0.00 -4.23 -0.46 -0.58 115.64 116.09 3ihb s THR 45 Ca -0.01 0.28 0.13 0.00 -1.18 0.00 0.00 61.69 60.92 3ihb s THR 45 Cb -0.14 -3.65 0.25 0.00 1.34 0.00 0.00 72.50 70.30 3ihb s THR 45 CO -0.07 -0.72 2.10 -0.65 -0.54 0.00 0.00 174.62 174.73 3ihb h PRO 46 N -0.15 0.13 0.00 3.99 0.11 -1.91 -3.04 132.00 131.13 3ihb h PRO 46 Ca -0.46 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3ihb h PRO 46 Cb 1.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3ihb h PRO 46 CO 0.62 0.12 -0.78 1.79 -0.21 0.00 0.00 178.00 179.54 3ihb h THR 47 N 0.13 0.79 0.00 -1.15 1.35 -1.94 -3.41 112.91 108.68 3ihb h THR 47 Ca 0.03 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3ihb h THR 47 Cb 0.05 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3ihb h THR 47 CO -0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 3ihb n GLY 48 N 1.28 -0.04 3.91 5.82 0.00 -1.15 -4.73 105.19 110.28 3ihb n GLY 48 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.54 -0.23 1.61 1.81 -1.26 -4.85 118.95 119.57 3ihb s ARG 49 Ca 0.00 -0.26 -0.02 0.00 -1.72 0.00 0.00 55.73 53.73 3ihb s ARG 49 Cb 0.00 -2.92 0.07 0.00 -0.45 0.00 0.00 34.95 31.65 3ihb s ARG 49 CO 0.00 0.52 0.05 -1.17 -0.68 0.00 0.00 175.30 174.02 3ihb s LEU 50 N -2.68 1.49 -0.13 2.53 2.96 -1.26 -1.36 118.68 120.23 3ihb s LEU 50 Ca 0.38 -1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.15 3ihb s LEU 50 Cb -0.12 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 3ihb s LEU 50 CO 0.26 -0.34 0.11 -1.00 -1.32 0.00 0.00 176.35 174.06 3ihb s HIS 51 N 1.78 3.47 0.33 5.38 3.76 -0.13 -4.93 115.29 124.95 3ihb s HIS 51 Ca 0.02 0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 55.25 3ihb s HIS 51 Cb -0.17 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.58 3ihb s HIS 51 CO -0.14 0.58 0.56 0.00 -0.85 0.00 0.00 174.74 174.90 3ihb s ALA 53 N -3.13 -1.91 0.00 0.00 0.00 -0.58 -4.73 121.76 111.42 3ihb s ALA 53 Ca 0.24 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3ihb s ALA 53 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3ihb s ALA 53 CO 0.15 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3ihb n GLY 54 N 0.09 0.23 2.55 0.00 0.00 -1.26 -1.85 105.19 104.95 3ihb n GLY 54 Ca -0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 3.58 -0.45 1.61 8.00 -0.69 -4.50 116.55 122.11 3ihb n ASP 55 Ca 0.00 -2.17 0.04 0.00 0.71 0.00 0.00 54.79 53.37 3ihb n ASP 55 Cb 0.00 -0.89 0.10 0.00 -0.02 0.00 0.00 41.12 40.31 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 3.84 2.48 -0.13 2.24 0.00 -1.25 -3.50 120.51 124.19 3ihb n ALA 56 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ihb n ALA 56 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.17 1.29 -4.71 0.00 8.00 -1.26 -3.24 116.55 116.80 3ihb n ASP 57 Ca 0.08 -1.41 -0.40 0.00 0.71 0.00 0.00 54.79 53.77 3ihb n ASP 57 Cb 0.21 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.41 5.03 0.28 2.53 1.01 -1.23 -4.96 120.40 122.64 3ihb s VAL 58 Ca 0.00 1.46 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 3ihb s VAL 58 Cb 0.00 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 3ihb s VAL 58 CO 0.00 0.22 0.88 -1.61 0.00 0.00 0.00 175.10 174.59 3ihb s GLU 59 N 0.99 4.54 0.11 2.72 2.02 -1.26 -4.37 118.70 123.45 3ihb s GLU 59 Ca 0.37 1.23 -0.12 0.00 0.02 0.00 0.00 54.97 56.47 3ihb s GLU 59 Cb -0.18 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 31.16 3ihb s GLU 59 CO 0.17 0.36 0.30 -0.59 0.02 0.00 0.00 175.26 175.52 3ihb s PHE 60 N -1.51 -0.00 0.19 1.61 -0.12 -0.46 -4.93 117.98 112.77 3ihb s PHE 60 Ca 0.46 -0.37 -0.30 0.00 -0.05 0.00 0.00 56.93 56.67 3ihb s PHE 60 Cb -0.19 0.09 -0.08 0.00 -0.63 0.00 0.00 43.02 42.21 3ihb s PHE 60 CO 0.24 -0.63 1.05 0.95 -0.05 0.00 0.00 175.22 176.78 3ihb s THR 61 N -3.84 3.96 0.05 -4.49 -4.23 -1.26 -1.35 115.64 104.48 3ihb s THR 61 Ca 0.05 1.75 0.25 0.00 -1.18 0.00 0.00 61.69 62.56 3ihb s THR 61 Cb 0.03 -4.12 0.26 0.00 1.34 0.00 0.00 72.50 70.02 3ihb s THR 61 CO -0.11 0.33 1.81 -0.29 -0.54 0.00 0.00 174.62 175.82 3ihb h ILE 62 N 3.60 0.42 0.00 2.99 2.10 -1.13 -3.41 117.51 122.08 3ihb h ILE 62 Ca -0.44 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 64.42 3ihb h ILE 62 Cb 1.21 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.73 3ihb h ILE 62 CO 0.71 0.18 0.00 0.00 -1.08 0.00 0.00 178.15 177.96 3ihb n GLN 63 N -3.29 0.00 -0.24 2.19 1.13 0.66 -2.02 117.38 115.80 3ihb n GLN 63 Ca 0.01 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.20 3ihb n GLN 63 Cb 0.44 0.00 0.42 0.00 0.11 0.00 0.00 30.24 31.21 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 0.00 0.56 0.00 1.08 0.02 -1.89 -1.63 113.55 111.69 3ihb h SER 64 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3ihb h SER 64 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3ihb h SER 64 CO 0.00 0.28 0.02 0.00 -1.14 0.00 0.00 176.83 175.98 3ihb n ALA 65 N -2.46 1.19 0.19 3.77 0.00 -0.86 -0.10 120.51 122.24 3ihb n ALA 65 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3ihb n ALA 65 Cb 0.52 -0.90 0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.93 0.00 4.64 -1.44 -3.39 113.55 112.43 3ihb h SER 66 Ca 0.00 -0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.39 3ihb h SER 66 Cb 0.04 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.06 3ihb h SER 66 CO 0.00 0.01 0.60 0.11 -0.87 0.00 0.00 176.83 176.68 3ihb h LYS 67 N 0.00 0.94 0.00 4.77 1.57 -0.71 -2.08 116.57 121.06 3ihb h LYS 67 Ca 0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3ihb h LYS 67 Cb 0.97 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 3ihb h LYS 67 CO 0.00 0.62 -0.03 -1.00 -0.57 0.00 0.00 179.45 178.47 3ihb h PRO 68 N 0.96 0.00 0.03 3.15 0.13 -1.78 -2.38 132.00 132.11 3ihb h PRO 68 Ca 0.43 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.33 3ihb h PRO 68 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 3ihb h PRO 68 CO -0.19 0.03 -0.99 0.74 -0.23 0.00 0.00 178.00 177.35 3ihb h PHE 69 N 0.00 0.52 0.05 1.56 -1.00 -1.65 -2.16 116.94 114.26 3ihb h PHE 69 Ca -0.00 -0.30 -0.24 0.00 2.81 0.00 0.00 57.97 60.24 3ihb h PHE 69 Cb 0.80 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.31 3ihb h PHE 69 CO 0.00 1.14 -1.05 1.79 -1.61 0.00 0.00 178.31 178.58 3ihb h THR 70 N 0.17 1.45 -0.43 -1.55 1.35 -1.45 -2.46 112.91 109.99 3ihb h THR 70 Ca -0.08 -2.72 -0.05 0.00 -0.55 0.00 0.00 66.41 63.00 3ihb h THR 70 Cb 1.64 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 70.68 3ihb h THR 70 CO 0.17 0.80 0.04 0.22 -0.25 0.00 0.00 175.52 176.50 3ihb h TYR 71 N 0.15 0.71 -0.29 4.73 3.20 -1.45 0.96 116.97 124.97 3ihb h TYR 71 Ca -0.10 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.66 3ihb h TYR 71 Cb 1.73 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 3ihb h TYR 71 CO 0.06 0.65 0.03 0.00 -1.64 0.00 0.00 178.16 177.25 3ihb h ALA 72 N 1.40 0.39 -0.47 1.82 0.00 -1.32 -1.46 119.26 119.62 3ihb h ALA 72 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ihb h ALA 72 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ihb h ALA 72 CO 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 179.25 179.36 3ihb h ALA 73 N 0.86 1.12 -0.10 0.00 0.00 -0.93 -1.79 119.26 118.42 3ihb h ALA 73 Ca 0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3ihb h ALA 73 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ihb h ALA 73 CO 0.01 0.56 -0.46 0.00 0.00 0.00 0.00 179.25 179.36 3ihb h ALA 74 N 1.27 1.03 -0.08 0.00 0.00 -0.69 0.37 119.26 121.17 3ihb h ALA 74 Ca 0.14 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3ihb h ALA 74 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ihb h ALA 74 CO 0.02 0.63 -0.69 -0.07 0.00 0.00 0.00 179.25 179.14 3ihb h LEU 75 N 0.20 0.41 0.13 0.00 3.38 -0.93 -0.40 115.31 118.10 3ihb h LEU 75 Ca 0.01 -0.26 -0.24 0.00 0.09 0.00 0.00 57.88 57.48 3ihb h LEU 75 Cb 0.90 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 41.55 3ihb h LEU 75 CO 0.07 0.98 -1.02 0.58 0.09 0.00 0.00 178.44 179.14 3ihb h VAL 76 N 0.25 1.39 -0.45 1.22 2.07 -1.15 -1.56 116.25 118.02 3ihb h VAL 76 Ca -0.02 -2.45 -0.09 0.00 0.82 0.00 0.00 66.70 64.96 3ihb h VAL 76 Cb 1.24 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 3ihb h VAL 76 CO 0.11 0.72 -0.07 0.44 0.02 0.00 0.00 177.57 178.79 3ihb h ASP 77 N -0.03 0.77 0.00 0.57 3.32 -0.23 -3.37 116.42 117.44 3ihb h ASP 77 Ca -0.16 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3ihb h ASP 77 Cb 1.75 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 3ihb h ASP 77 CO 0.19 0.88 -1.14 0.54 -1.72 0.00 0.00 179.24 177.99 3ihb n ARG 78 N -4.18 0.57 0.00 3.56 5.12 -0.16 -4.92 116.66 116.65 3ihb n ARG 78 Ca 0.02 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3ihb n ARG 78 Cb 0.34 -1.07 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 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 2.40 1.40 0.17 -0.13 0.00 -0.59 -4.55 105.19 103.89 3ihb n GLY 79 Ca -0.01 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 0.48 -0.41 1.61 -1.00 -1.92 -2.99 116.94 112.71 3ihb h PHE 80 Ca 0.00 0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.87 3ihb h PHE 80 Cb 0.00 -0.16 -0.08 0.00 3.61 0.00 0.00 35.95 39.32 3ihb h PHE 80 CO 0.00 0.31 -0.08 0.00 -1.61 0.00 0.00 178.31 176.93 3ihb h ALA 81 N 1.12 0.30 -0.43 2.45 0.00 -1.97 0.26 119.26 120.99 3ihb h ALA 81 Ca 0.14 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3ihb h ALA 81 Cb -0.04 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ihb h ALA 81 CO -0.03 -0.44 -0.15 0.00 0.00 0.00 0.00 179.25 178.63 3ihb h ALA 82 N 1.40 0.93 0.04 0.00 0.00 -1.79 -2.91 119.26 116.93 3ihb h ALA 82 Ca 0.20 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 3ihb h ALA 82 Cb 0.30 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ihb h ALA 82 CO -0.41 0.62 -0.93 0.28 0.00 0.00 0.00 179.25 178.81 3ihb h VAL 83 N 0.72 1.35 0.00 0.00 2.07 -1.27 -3.29 116.25 115.82 3ihb h VAL 83 Ca 0.11 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 3ihb h VAL 83 Cb 0.65 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3ihb h VAL 83 CO 0.05 0.68 -0.13 0.44 0.02 0.00 0.00 177.57 178.62 3ihb h ASP 84 N 0.14 0.00 1.03 0.57 3.32 -0.52 0.20 116.42 121.15 3ihb h ASP 84 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3ihb h ASP 84 Cb 1.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3ihb h ASP 84 CO 0.18 0.13 0.00 -0.09 -1.72 0.00 0.00 179.24 177.74 3ihb h ARG 85 N 0.00 0.00 0.00 3.56 2.43 -1.58 -3.26 114.38 115.53 3ihb h ARG 85 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3ihb h ARG 85 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3ihb h ARG 85 CO 0.02 0.00 -1.51 1.04 -1.51 0.00 0.00 179.97 178.00 3ihb n GLN 86 N -2.33 1.49 -4.39 0.20 1.13 -0.33 -4.71 117.38 108.43 3ihb n GLN 86 Ca 0.03 -0.04 -0.29 0.00 -1.94 0.00 0.00 57.00 54.76 3ihb n GLN 86 Cb 0.31 -1.22 -0.17 0.00 0.11 0.00 0.00 30.24 29.27 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 -2.42 1.54 0.02 5.09 1.01 0.54 -3.85 120.40 122.33 3ihb s VAL 87 Ca -0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3ihb s VAL 87 Cb 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3ihb s VAL 87 CO 0.37 0.45 0.02 0.61 0.00 0.00 0.00 175.10 176.55 3ihb n GLY 88 N 4.30 -1.51 0.27 4.51 0.00 0.59 -4.40 105.19 108.94 3ihb n GLY 88 Ca -0.19 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 0.62 -4.79 0.99 4.77 0.41 -4.12 117.00 114.89 3ihb n LEU 89 Ca 0.00 -1.27 -0.36 0.00 -0.03 0.00 0.00 56.01 54.36 3ihb n LEU 89 Cb 0.01 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 3ihb n LEU 89 CO 0.01 0.31 -0.18 0.20 -1.33 0.00 0.00 177.39 176.39 3ihb s ASN 90 N -1.14 6.22 0.79 -1.43 0.01 -0.71 -4.98 114.94 113.70 3ihb s ASN 90 Ca 0.06 0.32 -0.14 0.00 -0.71 0.00 0.00 52.86 52.40 3ihb s ASN 90 Cb 0.05 -2.05 0.07 0.00 0.41 0.00 0.00 41.25 39.73 3ihb s ASN 90 CO 0.01 0.29 1.21 -2.16 -1.51 0.00 0.00 177.10 174.93 3ihb s PRO 91 N -0.29 1.75 0.08 -0.60 0.04 -1.26 -4.07 135.00 130.66 3ihb s PRO 91 Ca 0.11 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 3ihb s PRO 91 Cb -0.12 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.72 3ihb s PRO 91 CO 0.01 -2.13 0.77 0.45 0.04 0.00 0.00 177.00 176.14 3ihb s SER 92 N -2.13 -0.43 0.40 6.66 0.15 -1.26 -5.00 113.70 112.09 3ihb s SER 92 Ca 0.73 -0.05 -0.10 0.00 0.70 0.00 0.00 55.95 57.23 3ihb s SER 92 Cb -0.29 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.45 3ihb s SER 92 CO 0.49 -0.81 0.77 -0.83 1.20 0.00 0.00 173.24 174.06 3ihb s GLY 93 N -2.64 1.95 0.48 9.45 0.00 -1.26 -4.03 107.32 111.27 3ihb s GLY 93 Ca 0.04 -0.21 0.15 0.00 0.00 0.00 0.00 44.72 44.71 3ihb s GLY 93 CO -0.09 -0.02 2.08 -2.09 0.00 0.00 0.00 173.10 172.98 3ihb h GLU 94 N 1.28 0.01 -6.50 2.90 4.57 -1.99 -3.42 114.58 111.42 3ihb h GLU 94 Ca -0.47 -0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.12 3ihb h GLU 94 Cb 1.19 -0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.83 3ihb h GLU 94 CO 0.64 0.09 0.77 0.00 -1.18 0.00 0.00 179.01 179.33 3ihb n ALA 95 N -2.52 1.23 -2.67 2.92 0.00 -1.26 -4.87 120.51 113.34 3ihb n ALA 95 Ca -0.03 0.45 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 3ihb n ALA 95 Cb 0.16 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 3ihb n ALA 95 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ihb s PHE 96 N 0.86 3.57 -0.13 0.00 5.36 -1.26 -5.07 117.98 121.31 3ihb s PHE 96 Ca 0.79 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 57.85 3ihb s PHE 96 Cb -0.69 -2.63 0.01 0.00 -0.34 0.00 0.00 43.02 39.36 3ihb s PHE 96 CO 0.39 0.19 -0.22 1.21 -1.46 0.00 0.00 175.22 175.33 3ihb s ASN 97 N 0.46 3.04 0.27 6.13 3.84 -1.26 -5.02 114.94 122.41 3ihb s ASN 97 Ca 0.30 -0.58 -0.03 0.00 0.21 0.00 0.00 52.86 52.76 3ihb s ASN 97 Cb -0.17 -1.41 0.38 0.00 -0.55 0.00 0.00 41.25 39.51 3ihb s ASN 97 CO 0.14 0.09 1.93 -0.08 -2.79 0.00 0.00 177.10 176.39 3ihb h GLU 98 N 7.20 1.18 -0.90 0.43 4.81 -2.03 -2.28 114.58 123.00 3ihb h GLU 98 Ca -0.30 -0.07 0.26 0.00 -0.13 0.00 0.00 59.36 59.12 3ihb h GLU 98 Cb 1.20 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 3ihb h GLU 98 CO 0.53 0.78 0.72 -0.07 -0.73 0.00 0.00 179.01 180.24 3ihb h LEU 99 N 1.22 0.00 -2.03 1.64 3.38 -2.01 0.24 115.31 117.76 3ihb h LEU 99 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3ihb h LEU 99 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ihb h LEU 99 CO -0.10 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.20 3ihb h SER 100 N 0.00 0.00 0.00 -0.43 4.64 -1.79 -2.61 113.55 113.36 3ihb h SER 100 Ca 0.43 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.57 3ihb h SER 100 Cb 1.86 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.92 3ihb h SER 100 CO -0.00 0.00 -2.17 0.18 -0.87 0.00 0.00 176.83 173.97 3ihb n LEU 101 N -2.72 0.00 0.24 5.97 4.77 0.85 -4.35 117.00 121.76 3ihb n LEU 101 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 3ihb n LEU 101 Cb 0.11 0.23 0.62 0.00 -2.33 0.00 0.00 43.42 42.05 3ihb n LEU 101 CO 0.18 0.23 0.90 -0.33 -1.33 0.00 0.00 177.39 177.04 3ihb h GLU 102 N 0.00 0.00 -6.86 3.23 5.08 -1.44 -3.16 114.58 111.43 3ihb h GLU 102 Ca -0.26 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.55 3ihb h GLU 102 Cb 1.58 0.00 0.19 0.00 0.50 0.00 0.00 28.75 31.01 3ihb h GLU 102 CO 0.01 0.18 -0.14 0.00 -1.00 0.00 0.00 179.01 178.06 3ihb n ALA 103 N -2.29 -1.03 0.00 3.43 0.00 -1.23 -4.72 120.51 114.67 3ihb n ALA 103 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3ihb n ALA 103 Cb 0.30 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.69 0.00 0.15 0.00 4.71 -1.26 -0.04 120.64 122.51 3ihb n GLU 104 Ca 0.11 0.25 0.03 0.00 -0.01 0.00 0.00 57.16 57.53 3ihb n GLU 104 Cb 0.50 -1.55 0.16 0.00 -1.01 0.00 0.00 31.44 29.54 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 -7.01 1.62 0.02 -1.85 -3.47 113.55 102.87 3ihb h SER 105 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 3ihb h SER 105 Cb 0.11 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.36 3ihb h SER 105 CO 0.00 0.51 -0.90 0.00 -1.14 0.00 0.00 176.83 175.30 3ihb n HIS 106 N -3.42 -1.38 -3.63 3.45 1.44 0.95 -4.88 115.22 107.75 3ihb n HIS 106 Ca 0.01 0.71 -0.16 0.00 -2.01 0.00 0.00 57.72 56.27 3ihb n HIS 106 Cb 0.65 -2.46 -0.07 0.00 0.12 0.00 0.00 29.99 28.23 3ihb n HIS 106 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3ihb s ARG 107 N -7.13 0.87 0.77 -1.40 1.70 -1.26 -4.82 118.95 107.67 3ihb s ARG 107 Ca 0.62 0.19 -0.14 0.00 -0.47 0.00 0.00 55.73 55.93 3ihb s ARG 107 Cb -0.35 0.40 0.06 0.00 -0.57 0.00 0.00 34.95 34.49 3ihb s ARG 107 CO 0.99 -0.24 1.20 -1.25 -1.08 0.00 0.00 175.30 174.92 3ihb s PRO 108 N -1.01 1.90 0.16 3.89 0.04 -1.25 -4.56 135.00 134.17 3ihb s PRO 108 Ca -0.10 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 3ihb s PRO 108 Cb -0.02 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.78 3ihb s PRO 108 CO 0.07 -2.01 1.74 -0.44 0.04 0.00 0.00 177.00 176.40 3ihb h ASP 109 N -0.61 0.09 -2.71 6.66 3.32 -1.86 0.17 116.42 121.47 3ihb h ASP 109 Ca -0.47 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 3ihb h ASP 109 Cb 1.29 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 3ihb h ASP 109 CO 0.48 0.08 0.03 -0.46 -1.72 0.00 0.00 179.24 177.66 3ihb n ASN 110 N -5.05 -1.16 -0.06 6.45 6.94 -1.26 -0.44 115.26 120.69 3ihb n ASN 110 Ca 0.02 -2.12 0.13 0.00 -0.02 0.00 0.00 54.58 52.58 3ihb n ASN 110 Cb 0.15 2.02 0.36 0.00 -2.36 0.00 0.00 39.78 39.94 3ihb n ASN 110 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ihb n ALA 111 N -1.49 3.22 0.16 -2.53 0.00 -1.26 -3.57 120.51 115.03 3ihb n ALA 111 Ca -0.10 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.14 3ihb n ALA 111 Cb 0.38 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 0.28 0.00 -6.82 0.00 2.86 -1.91 -3.34 114.93 106.01 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 0.49 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.16 3ihb h MET 112 CO 0.00 0.00 0.08 0.96 1.06 0.00 0.00 176.91 179.01 3ihb s ILE 113 N -3.33 4.85 0.25 -1.22 -4.36 -1.26 -4.92 121.20 111.20 3ihb s ILE 113 Ca 0.01 0.45 -0.04 0.00 -0.26 0.00 0.00 60.65 60.80 3ihb s ILE 113 Cb 0.09 -3.76 0.21 0.00 1.25 0.00 0.00 42.46 40.25 3ihb s ILE 113 CO 0.77 -0.57 1.80 0.78 0.24 0.00 0.00 174.94 177.96 3ihb h ASN 114 N 1.07 0.64 -0.93 4.36 4.21 -1.89 -1.49 115.58 121.55 3ihb h ASN 114 Ca -0.47 0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.10 3ihb h ASN 114 Cb 1.19 -0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 38.28 3ihb h ASN 114 CO 0.64 0.36 0.62 0.00 -1.29 0.00 0.00 177.43 177.75 3ihb h ALA 115 N 1.47 1.34 0.00 -0.83 0.00 -1.93 -0.86 119.26 118.44 3ihb h ALA 115 Ca 0.40 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3ihb h ALA 115 Cb 0.40 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ihb h ALA 115 CO -0.26 0.61 -0.55 0.78 0.00 0.00 0.00 179.25 179.83 3ihb h GLY 116 N 1.25 0.00 1.83 0.00 0.00 -1.44 -2.73 103.07 101.98 3ihb h GLY 116 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.49 3ihb h GLY 116 CO -0.08 0.00 -0.82 0.00 0.00 0.00 0.00 176.54 175.64 3ihb h ALA 117 N 1.45 0.61 -0.31 3.60 0.00 -0.49 -1.49 119.26 122.63 3ihb h ALA 117 Ca -0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 3ihb h ALA 117 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3ihb h ALA 117 CO 0.07 0.90 -0.42 -0.07 0.00 0.00 0.00 179.25 179.73 3ihb h LEU 118 N 0.09 0.83 -0.87 0.00 3.38 -1.14 -0.68 115.31 116.93 3ihb h LEU 118 Ca -0.03 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 3ihb h LEU 118 Cb 1.43 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3ihb h LEU 118 CO 0.12 1.13 -0.44 0.00 0.09 0.00 0.00 178.44 179.34 3ihb h ALA 119 N 0.90 1.04 -0.21 1.53 0.00 -1.41 -2.05 119.26 119.06 3ihb h ALA 119 Ca 0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3ihb h ALA 119 Cb 0.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ihb h ALA 119 CO 0.09 0.62 -0.29 0.28 0.00 0.00 0.00 179.25 179.95 3ihb h VAL 120 N 0.22 1.33 -0.03 0.00 2.07 -0.95 -2.57 116.25 116.32 3ihb h VAL 120 Ca 0.02 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.06 3ihb h VAL 120 Cb 0.87 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3ihb h VAL 120 CO 0.07 0.46 -0.04 -0.74 0.02 0.00 0.00 177.57 177.34 3ihb h HIS 121 N 0.25 -0.09 -0.84 1.57 6.17 -0.96 -1.58 115.15 119.67 3ihb h HIS 121 Ca 0.02 0.01 0.20 0.00 0.71 0.00 0.00 60.37 61.31 3ihb h HIS 121 Cb 0.86 0.04 -0.12 0.00 2.52 0.00 0.00 27.41 30.72 3ihb h HIS 121 CO 0.08 -0.06 0.32 0.37 0.71 0.00 0.00 177.93 179.36 3ihb h GLN 122 N -0.05 0.36 0.00 5.26 5.75 -1.38 0.55 115.11 125.61 3ihb h GLN 122 Ca 0.03 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3ihb h GLN 122 Cb 0.09 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3ihb h GLN 122 CO -0.06 0.24 0.00 1.28 -2.65 0.00 0.00 178.83 177.63 3ihb n LEU 123 N -5.07 0.04 -0.33 -2.39 4.77 -0.63 -4.65 117.00 108.74 3ihb n LEU 123 Ca 0.19 0.51 0.23 0.00 -0.03 0.00 0.00 56.01 56.91 3ihb n LEU 123 Cb 0.58 -0.50 0.46 0.00 -2.33 0.00 0.00 43.42 41.62 3ihb n LEU 123 CO 0.13 -0.22 1.07 -0.07 -1.33 0.00 0.00 177.39 176.98 3ihb h LEU 124 N 0.00 0.38 0.00 2.23 3.38 -0.43 -3.35 115.31 117.53 3ihb h LEU 124 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ihb h LEU 124 Cb 0.31 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ihb h LEU 124 CO 0.00 -0.19 -0.93 0.52 0.09 0.00 0.00 178.44 177.93 3ihb n VAL 125 N -5.12 0.00 0.00 1.22 0.31 -1.26 -4.70 118.33 108.78 3ihb n VAL 125 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 3ihb n VAL 125 Cb 0.97 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 3.22 0.42 0.34 2.92 0.00 -1.26 -4.91 105.19 105.92 3ihb n GLY 126 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.89 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 0.91 -0.54 1.61 0.11 -1.91 -2.80 132.00 129.39 3ihb h PRO 127 Ca 0.00 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 3ihb h PRO 127 Cb 0.00 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 30.85 3ihb h PRO 127 CO 0.00 0.60 0.10 0.39 -0.21 0.00 0.00 178.00 178.88 3ihb n GLU 128 N -4.65 3.69 -2.18 1.05 4.71 -1.26 -5.01 120.64 116.99 3ihb n GLU 128 Ca 0.16 -3.06 -0.38 0.00 -0.01 0.00 0.00 57.16 53.87 3ihb n GLU 128 Cb 0.28 -2.10 -0.00 0.00 -1.01 0.00 0.00 31.44 28.60 3ihb n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ihb s ALA 129 N -2.92 3.00 0.44 0.62 0.00 -1.06 -5.01 121.76 116.83 3ihb s ALA 129 Ca 0.51 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.36 3ihb s ALA 129 Cb 0.41 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 3ihb s ALA 129 CO 0.12 -0.76 0.84 -1.54 0.00 0.00 0.00 175.76 174.42 3ihb s SER 130 N -1.22 6.57 0.31 0.00 1.04 -1.26 -4.91 113.70 114.23 3ihb s SER 130 Ca 0.63 1.29 0.06 0.00 0.48 0.00 0.00 55.95 58.42 3ihb s SER 130 Cb -0.31 -2.39 0.83 0.00 0.10 0.00 0.00 66.02 64.25 3ihb s SER 130 CO 0.38 -0.45 1.66 -0.09 0.98 0.00 0.00 173.24 175.73 3ihb h ARG 131 N 1.21 0.28 -0.17 4.02 2.43 -1.99 -0.54 114.38 119.64 3ihb h ARG 131 Ca -0.47 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.48 3ihb h ARG 131 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3ihb h ARG 131 CO 0.63 0.19 -0.70 -0.22 -1.51 0.00 0.00 179.97 178.36 3ihb h LYS 132 N 0.29 0.69 -0.15 0.20 3.64 -2.00 -2.95 116.57 116.30 3ihb h LYS 132 Ca 0.61 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ihb h LYS 132 Cb 1.27 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 3ihb h LYS 132 CO -0.61 1.14 0.09 0.93 -2.27 0.00 0.00 179.45 178.72 3ihb h GLU 133 N 0.49 0.18 -0.62 1.90 5.08 -1.48 -2.22 114.58 117.91 3ihb h GLU 133 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ihb h GLU 133 Cb 1.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3ihb h GLU 133 CO 0.14 0.12 0.34 0.00 -1.00 0.00 0.00 179.01 178.61 3ihb h ARG 134 N 0.18 0.85 -0.14 2.33 3.08 -1.49 -0.27 114.38 118.91 3ihb h ARG 134 Ca 0.06 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3ihb h ARG 134 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3ihb h ARG 134 CO -0.02 0.62 0.01 1.25 -1.07 0.00 0.00 179.97 180.75 3ihb h LEU 135 N 0.86 0.24 0.00 3.04 5.85 -1.29 -2.08 115.31 121.92 3ihb h LEU 135 Ca 0.22 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ihb h LEU 135 Cb 0.02 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3ihb h LEU 135 CO -0.04 0.47 0.00 -0.90 -0.34 0.00 0.00 178.44 177.64 3ihb n ASP 136 N -4.78 0.00 0.11 1.25 5.68 -0.86 -1.74 116.55 116.21 3ihb n ASP 136 Ca -0.05 -0.22 -0.18 0.00 -0.50 0.00 0.00 54.79 53.84 3ihb n ASP 136 Cb 0.20 -0.26 -0.14 0.00 -1.14 0.00 0.00 41.12 39.78 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 0.33 -0.34 0.11 9.65 -0.71 0.22 114.38 123.63 3ihb h ARG 137 Ca 0.00 -0.56 -0.16 0.00 -1.10 0.00 0.00 59.98 58.16 3ihb h ARG 137 Cb 0.25 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3ihb h ARG 137 CO 0.00 1.26 -0.43 0.00 2.80 0.00 0.00 179.97 183.61 3ihb h ALA 138 N 0.49 0.59 -0.20 2.80 0.00 -1.01 -1.71 119.26 120.22 3ihb h ALA 138 Ca -0.16 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 3ihb h ALA 138 Cb 2.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 3ihb h ALA 138 CO 0.22 0.68 -0.53 0.28 0.00 0.00 0.00 179.25 179.89 3ihb h VAL 139 N 0.70 1.32 0.46 0.00 2.07 -1.32 -3.00 116.25 116.47 3ihb h VAL 139 Ca 0.05 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 3ihb h VAL 139 Cb 1.01 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3ihb h VAL 139 CO 0.10 0.55 -0.22 -0.08 0.02 0.00 0.00 177.57 177.94 3ihb h GLU 140 N 0.45 -0.59 -0.62 1.57 4.81 -0.38 -0.62 114.58 119.20 3ihb h GLU 140 Ca 0.01 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3ihb h GLU 140 Cb 1.08 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 3ihb h GLU 140 CO 0.10 -0.32 0.27 0.97 -0.73 0.00 0.00 179.01 179.30 3ihb h ILE 141 N -0.78 0.83 -0.64 2.32 6.09 -1.38 0.50 117.51 124.44 3ihb h ILE 141 Ca -0.06 -0.17 -0.09 0.00 -1.37 0.00 0.00 64.86 63.17 3ihb h ILE 141 Cb 0.55 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.11 3ihb h ILE 141 CO 0.10 0.09 0.06 0.24 -3.07 0.00 0.00 178.15 175.57 3ihb h MET 142 N 0.49 1.10 -0.47 2.19 2.86 -1.49 -2.65 114.93 116.95 3ihb h MET 142 Ca 0.30 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 3ihb h MET 142 Cb 0.33 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3ihb h MET 142 CO -0.27 1.03 -0.10 0.77 1.06 0.00 0.00 176.91 179.40 3ihb h SER 143 N 1.01 0.85 -0.11 1.22 0.02 -0.01 -1.27 113.55 115.26 3ihb h SER 143 Ca 0.19 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 3ihb h SER 143 Cb 0.50 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3ihb h SER 143 CO 0.02 0.97 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.46 3ihb h LEU 144 N 0.77 0.47 0.00 5.07 3.38 0.17 -1.52 115.31 123.65 3ihb h LEU 144 Ca 0.13 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 3ihb h LEU 144 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ihb h LEU 144 CO 0.04 0.65 -0.98 -0.07 0.09 0.00 0.00 178.44 178.16 3ihb h LEU 145 N 0.44 0.00 -0.18 1.67 3.38 -1.36 -3.22 115.31 116.04 3ihb h LEU 145 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ihb h LEU 145 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ihb h LEU 145 CO 0.03 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.15 3ihb h ALA 146 N 1.42 1.00 0.00 1.53 0.00 -1.02 -3.36 119.26 118.83 3ihb h ALA 146 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ihb h ALA 146 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3ihb h ALA 146 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3ihb n GLY 147 N 1.01 0.86 3.44 0.00 0.00 -0.60 -4.94 105.19 104.95 3ihb n GLY 147 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.06 1.33 -0.07 1.61 1.70 -1.04 -5.03 118.95 117.40 3ihb s ARG 148 Ca 0.00 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 53.74 3ihb s ARG 148 Cb 0.00 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 3ihb s ARG 148 CO 0.00 -0.52 1.04 0.50 -1.08 0.00 0.00 175.30 175.24 3ihb s ARG 149 N -4.00 4.44 0.19 3.89 3.52 -1.26 -4.45 118.95 121.28 3ihb s ARG 149 Ca 0.21 1.46 0.05 0.00 -0.13 0.00 0.00 55.73 57.31 3ihb s ARG 149 Cb 0.02 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3ihb s ARG 149 CO 0.04 -0.28 0.19 -0.51 -0.81 0.00 0.00 175.30 173.94 3ihb s LEU 150 N 1.79 3.94 0.30 -0.88 1.43 -1.26 -5.09 118.68 118.91 3ihb s LEU 150 Ca 0.51 -0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.63 3ihb s LEU 150 Cb -0.20 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 3ihb s LEU 150 CO 0.21 0.03 -0.15 -0.44 0.23 0.00 0.00 176.35 176.23 3ihb s SER 151 N -3.35 3.72 -0.22 2.29 0.01 -1.26 -4.98 113.70 109.91 3ihb s SER 151 Ca 0.32 -1.04 -0.10 0.00 1.31 0.00 0.00 55.95 56.44 3ihb s SER 151 Cb -0.10 -0.36 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 3ihb s SER 151 CO 0.25 -0.04 0.13 -0.69 0.41 0.00 0.00 173.24 173.30 3ihb s VAL 152 N -2.52 5.23 -0.78 3.43 1.01 -1.26 -0.19 120.40 125.32 3ihb s VAL 152 Ca 0.31 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 3ihb s VAL 152 Cb -0.03 -3.41 0.08 0.00 0.00 0.00 0.00 36.38 33.02 3ihb s VAL 152 CO 0.16 0.40 1.11 -0.62 0.00 0.00 0.00 175.10 176.14 3ihb s ASP 153 N 0.71 6.31 0.21 3.32 2.15 -0.61 -4.84 116.67 123.93 3ihb s ASP 153 Ca 0.07 -1.20 0.20 0.00 0.43 0.00 0.00 52.55 52.04 3ihb s ASP 153 Cb -0.12 -2.45 0.89 0.00 -0.30 0.00 0.00 42.92 40.94 3ihb s ASP 153 CO 0.01 -1.43 1.60 0.79 -0.17 0.00 0.00 175.17 175.98 3ihb n TRP 154 N 7.84 0.60 -0.11 -5.34 7.02 -1.26 -1.43 117.44 124.76 3ihb n TRP 154 Ca 0.08 0.26 -0.14 0.00 -1.02 0.00 0.00 57.50 56.68 3ihb n TRP 154 Cb 0.47 -0.92 -0.03 0.00 -2.42 0.00 0.00 31.31 28.42 3ihb n TRP 154 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3ihb h GLU 155 N 0.00 0.89 -0.17 -0.99 4.81 -1.98 0.67 114.58 117.80 3ihb h GLU 155 Ca 0.00 -0.49 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 3ihb h GLU 155 Cb 0.23 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3ihb h GLU 155 CO 0.00 1.13 -0.50 1.15 -0.73 0.00 0.00 179.01 180.06 3ihb h THR 156 N 0.69 1.33 0.08 0.32 2.02 -1.65 -2.42 112.91 113.28 3ihb h THR 156 Ca 0.05 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.49 3ihb h THR 156 Cb 0.99 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 3ihb h THR 156 CO 0.10 0.54 -0.07 0.22 0.37 0.00 0.00 175.52 176.67 3ihb h TYR 157 N 0.32 -0.19 -0.92 3.16 3.20 -1.16 -0.73 116.97 120.66 3ihb h TYR 157 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3ihb h TYR 157 Cb 1.12 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 3ihb h TYR 157 CO 0.09 -0.12 0.55 1.49 -1.64 0.00 0.00 178.16 178.54 3ihb h GLU 158 N -0.17 1.25 0.02 1.82 4.81 -0.92 -0.05 114.58 121.34 3ihb h GLU 158 Ca 0.00 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ihb h GLU 158 Cb 0.16 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3ihb h GLU 158 CO -0.02 0.87 -0.01 1.03 -0.73 0.00 0.00 179.01 180.16 3ihb h SER 159 N 1.27 -0.02 0.30 1.04 0.87 -1.09 -3.01 113.55 112.91 3ihb h SER 159 Ca 0.33 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 3ihb h SER 159 Cb -0.05 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3ihb h SER 159 CO -0.06 0.15 -0.52 -0.08 -0.53 0.00 0.00 176.83 175.79 3ihb h GLU 160 N -0.20 0.25 0.00 2.24 4.81 -0.98 -3.06 114.58 117.64 3ihb h GLU 160 Ca -0.00 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3ihb h GLU 160 Cb 0.19 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3ihb h GLU 160 CO 0.00 0.71 -0.07 0.52 -0.73 0.00 0.00 179.01 179.45 3ihb h MET 161 N 0.20 0.00 0.00 1.92 2.86 -0.95 -1.46 114.93 117.50 3ihb h MET 161 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3ihb h MET 161 Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3ihb h MET 161 CO 0.08 0.07 0.00 0.00 1.06 0.00 0.00 176.91 178.12 3ihb n ALA 162 N -2.45 2.42 -2.80 6.32 0.00 -1.14 -3.55 120.51 119.31 3ihb n ALA 162 Ca -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 3ihb n ALA 162 Cb 0.15 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.21 3ihb n ALA 162 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3ihb n VAL 163 N -1.20 1.05 -0.71 0.00 0.24 -0.58 -4.94 118.33 112.19 3ihb n VAL 163 Ca 0.15 -2.65 -0.11 0.00 -2.04 0.00 0.00 64.34 59.69 3ihb n VAL 163 Cb 0.18 1.20 0.20 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.67 3.99 -0.32 -1.34 7.64 -1.02 -4.66 113.62 117.24 3ihb n SER 164 Ca 0.04 -3.12 0.07 0.00 1.01 0.00 0.00 58.87 56.86 3ihb n SER 164 Cb 0.81 -0.73 0.22 0.00 -1.01 0.00 0.00 64.21 63.50 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 1.56 0.70 0.13 6.43 3.32 -1.90 -1.91 116.42 124.76 3ihb h ASP 165 Ca 0.35 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 3ihb h ASP 165 Cb 2.25 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.75 3ihb h ASP 165 CO 0.74 0.34 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.45 3ihb h ARG 166 N 0.78 -0.17 -0.08 3.56 2.43 -2.00 -1.40 114.38 117.50 3ihb h ARG 166 Ca 0.47 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.63 3ihb h ARG 166 Cb 0.56 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3ihb h ARG 166 CO -0.31 0.09 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.29 3ihb h ASN 167 N -0.43 0.10 0.29 -3.80 2.35 -1.89 0.11 115.58 112.30 3ihb h ASN 167 Ca -0.02 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 3ihb h ASN 167 Cb 0.35 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3ihb h ASN 167 CO 0.03 0.17 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.55 3ihb h LEU 168 N 0.11 0.12 -0.01 1.61 3.38 -1.15 -1.64 115.31 117.72 3ihb h LEU 168 Ca 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ihb h LEU 168 Cb 0.16 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ihb h LEU 168 CO 0.01 0.48 0.00 -1.28 0.09 0.00 0.00 178.44 177.73 3ihb h SER 169 N 0.10 0.02 -0.96 -0.43 0.87 0.30 -2.20 113.55 111.25 3ihb h SER 169 Ca 0.01 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.32 3ihb h SER 169 Cb 0.69 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 3ihb h SER 169 CO 0.05 0.31 0.62 -0.07 -0.53 0.00 0.00 176.83 177.22 3ihb h LEU 170 N -0.27 1.03 -0.65 2.23 3.38 -0.96 -2.43 115.31 117.63 3ihb h LEU 170 Ca 0.00 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3ihb h LEU 170 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ihb h LEU 170 CO 0.00 0.69 -0.23 0.00 0.09 0.00 0.00 178.44 178.99 3ihb h ALA 171 N 1.41 0.84 -0.48 1.53 0.00 -1.25 -1.50 119.26 119.80 3ihb h ALA 171 Ca 0.39 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ihb h ALA 171 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ihb h ALA 171 CO -0.14 0.64 -0.03 0.45 0.00 0.00 0.00 179.25 180.17 3ihb h HIS 172 N 0.71 0.95 0.14 0.00 3.86 -1.02 0.00 115.15 119.78 3ihb h HIS 172 Ca 0.09 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3ihb h HIS 172 Cb 0.75 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3ihb h HIS 172 CO 0.04 0.91 -0.07 1.98 0.86 0.00 0.00 177.93 181.66 3ihb h MET 173 N 0.71 -0.18 -0.84 2.45 -1.53 -1.41 -0.97 114.93 113.17 3ihb h MET 173 Ca 0.13 0.01 0.19 0.00 -3.44 0.00 0.00 59.70 56.59 3ihb h MET 173 Cb 0.55 0.04 -0.11 0.00 -0.55 0.00 0.00 31.60 31.53 3ihb h MET 173 CO 0.03 0.05 0.33 -0.07 0.14 0.00 0.00 176.91 177.39 3ihb h LEU 174 N -0.39 0.26 -0.04 3.39 3.38 -1.14 -0.90 115.31 119.86 3ihb h LEU 174 Ca -0.02 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ihb h LEU 174 Cb 0.31 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ihb h LEU 174 CO 0.03 0.02 0.02 -0.09 0.09 0.00 0.00 178.44 178.51 3ihb h ARG 175 N 0.39 0.06 -0.10 1.13 2.43 -0.65 0.64 114.38 118.29 3ihb h ARG 175 Ca 0.50 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.69 3ihb h ARG 175 Cb 0.88 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3ihb h ARG 175 CO -0.49 0.16 0.11 0.66 -1.51 0.00 0.00 179.97 178.90 3ihb h SER 176 N -0.06 0.00 -0.23 -3.80 4.64 0.17 0.60 113.55 114.88 3ihb h SER 176 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ihb h SER 176 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3ihb h SER 176 CO -0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 3ihb n TYR 177 N -3.83 0.28 -0.89 4.77 4.02 -0.77 -4.95 117.16 115.79 3ihb n TYR 177 Ca -0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3ihb n TYR 177 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 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 1.33 0.45 0.09 2.72 0.00 0.20 -4.94 105.19 105.04 3ihb n GLY 178 Ca 0.17 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.89 1.22 -4.93 1.61 0.31 0.17 -4.83 118.33 109.00 3ihb n VAL 179 Ca 0.00 -0.73 -0.33 0.00 -0.01 0.00 0.00 64.34 63.28 3ihb n VAL 179 Cb 0.00 -0.70 -0.14 0.00 -0.91 0.00 0.00 33.84 32.09 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 -5.70 2.62 -0.21 7.52 1.43 -1.18 -4.90 118.68 118.25 3ihb s LEU 180 Ca -0.05 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3ihb s LEU 180 Cb 0.08 -1.53 -0.12 0.00 0.03 0.00 0.00 46.19 44.65 3ihb s LEU 180 CO 0.82 0.30 -0.22 0.00 0.23 0.00 0.00 176.35 177.48 3ihb n GLN 181 N 2.63 0.50 -1.46 1.70 3.00 -1.26 -4.41 117.38 118.09 3ihb n GLN 181 Ca -0.17 0.15 -0.26 0.00 -0.01 0.00 0.00 57.00 56.70 3ihb n GLN 181 Cb 0.52 -1.37 0.19 0.00 0.00 0.00 0.00 30.24 29.59 3ihb n GLN 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3ihb n ASP 182 N -3.41 -0.51 -4.80 1.08 10.43 -1.26 -5.02 116.55 113.06 3ihb n ASP 182 Ca -0.39 -1.33 -0.32 0.00 2.57 0.00 0.00 54.79 55.32 3ihb n ASP 182 Cb 0.86 -0.90 0.02 0.00 1.84 0.00 0.00 41.12 42.95 3ihb n ASP 182 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3ihb s SER 183 N -4.95 5.57 0.17 -2.24 1.04 -1.26 -4.90 113.70 107.13 3ihb s SER 183 Ca 0.65 1.82 -0.14 0.00 0.48 0.00 0.00 55.95 58.76 3ihb s SER 183 Cb -0.03 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.63 3ihb s SER 183 CO 0.47 -1.31 1.81 0.00 0.98 0.00 0.00 173.24 175.19 3ihb h ALA 184 N 0.16 0.61 -0.12 5.32 0.00 -1.94 -1.44 119.26 121.85 3ihb h ALA 184 Ca -0.46 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3ihb h ALA 184 Cb 1.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3ihb h ALA 184 CO 0.57 -0.01 -0.00 0.93 0.00 0.00 0.00 179.25 180.74 3ihb h GLU 185 N 0.59 0.04 0.49 0.00 4.39 -1.94 -0.18 114.58 117.96 3ihb h GLU 185 Ca 0.19 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3ihb h GLU 185 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3ihb h GLU 185 CO -0.08 0.03 -0.28 1.49 -1.16 0.00 0.00 179.01 179.01 3ihb h GLU 186 N 0.04 -0.69 -0.45 2.33 4.81 -1.87 -0.95 114.58 117.80 3ihb h GLU 186 Ca 0.06 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3ihb h GLU 186 Cb 0.07 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3ihb h GLU 186 CO -0.10 -0.46 0.25 0.82 -0.73 0.00 0.00 179.01 178.79 3ihb h ILE 187 N -0.72 1.02 -0.65 2.32 1.08 -1.18 -1.91 117.51 117.47 3ihb h ILE 187 Ca -0.06 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 3ihb h ILE 187 Cb 0.58 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3ihb h ILE 187 CO 0.07 0.09 0.30 0.58 -0.69 0.00 0.00 178.15 178.51 3ihb h VAL 188 N 0.51 1.22 -0.21 1.67 2.07 -0.94 -1.24 116.25 119.32 3ihb h VAL 188 Ca 0.18 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3ihb h VAL 188 Cb 0.04 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3ihb h VAL 188 CO -0.10 0.26 0.10 0.00 0.02 0.00 0.00 177.57 177.85 3ihb h ALA 189 N 1.41 0.27 -0.79 1.67 0.00 -0.71 0.08 119.26 121.19 3ihb h ALA 189 Ca 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ihb h ALA 189 Cb 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ihb h ALA 189 CO -0.03 -0.16 0.51 0.78 0.00 0.00 0.00 179.25 180.35 3ihb h GLY 190 N 0.20 1.12 0.95 0.00 0.00 -0.98 -1.45 103.07 102.90 3ihb h GLY 190 Ca 0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3ihb h GLY 190 CO -0.01 0.37 -0.02 -1.82 0.00 0.00 0.00 176.54 175.06 3ihb h TYR 191 N 1.02 0.78 -0.39 5.60 3.20 -0.99 -0.87 116.97 125.32 3ihb h TYR 191 Ca 0.30 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3ihb h TYR 191 Cb -0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3ihb h TYR 191 CO -0.02 0.80 0.01 0.28 -1.64 0.00 0.00 178.16 177.59 3ihb h VAL 192 N 0.53 1.21 -0.26 1.81 2.07 -0.74 -0.30 116.25 120.57 3ihb h VAL 192 Ca 0.11 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 3ihb h VAL 192 Cb 0.50 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3ihb h VAL 192 CO 0.02 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.76 3ihb h ALA 193 N 1.43 0.36 -0.78 1.67 0.00 -1.10 -1.71 119.26 119.13 3ihb h ALA 193 Ca 0.12 -0.32 0.16 0.00 0.00 0.00 0.00 54.91 54.87 3ihb h ALA 193 Cb 0.36 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 3ihb h ALA 193 CO 0.01 0.25 0.30 0.37 0.00 0.00 0.00 179.25 180.18 3ihb h GLN 194 N 0.27 0.39 0.00 0.00 4.15 -0.65 0.09 115.11 119.36 3ihb h GLN 194 Ca 0.05 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 3ihb h GLN 194 Cb 0.67 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 3ihb h GLN 194 CO 0.04 0.26 -0.23 0.00 -1.93 0.00 0.00 178.83 176.97 3ihb n ALA 196 N -2.22 2.55 -1.89 0.00 0.00 -0.00 -0.25 120.51 118.70 3ihb n ALA 196 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3ihb n ALA 196 Cb 0.45 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.87 2.61 -0.22 0.00 1.01 -1.10 -1.57 120.40 119.26 3ihb s VAL 197 Ca 0.33 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 3ihb s VAL 197 Cb 0.17 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3ihb s VAL 197 CO 0.27 0.06 0.73 -0.76 0.00 0.00 0.00 175.10 175.40 3ihb s LEU 198 N 0.16 4.11 0.12 3.92 1.43 0.74 -1.31 118.68 127.83 3ihb s LEU 198 Ca 0.63 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3ihb s LEU 198 Cb -0.43 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3ihb s LEU 198 CO 0.39 -0.40 -0.04 0.68 0.23 0.00 0.00 176.35 177.21 3ihb s VAL 199 N 2.40 0.66 0.40 -1.59 -7.23 -0.45 -4.43 120.40 110.15 3ihb s VAL 199 Ca 0.32 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.62 3ihb s VAL 199 Cb -0.16 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 3ihb s VAL 199 CO 0.09 -0.76 0.23 0.42 -0.31 0.00 0.00 175.10 174.76 3ihb s THR 200 N -3.65 2.59 0.33 5.32 -4.23 -1.26 -1.35 115.64 113.38 3ihb s THR 200 Ca 0.15 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.11 3ihb s THR 200 Cb 0.06 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.20 3ihb s THR 200 CO -0.02 -0.05 1.89 0.58 -0.54 0.00 0.00 174.62 176.48 3ihb h VAL 201 N 1.35 0.94 0.00 2.29 2.07 -1.76 -0.86 116.25 120.28 3ihb h VAL 201 Ca -0.43 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3ihb h VAL 201 Cb 1.26 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3ihb h VAL 201 CO 0.65 0.16 -0.33 0.11 0.02 0.00 0.00 177.57 178.18 3ihb h LYS 202 N 0.85 0.00 0.04 1.57 1.57 -1.88 -2.50 116.57 116.23 3ihb h LYS 202 Ca 0.42 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3ihb h LYS 202 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3ihb h LYS 202 CO -0.19 0.33 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.56 3ihb h ASP 203 N 0.00 -0.05 -0.22 0.86 3.32 -1.50 -2.98 116.42 115.85 3ihb h ASP 203 Ca -0.00 -0.37 0.06 0.00 0.02 0.00 0.00 57.03 56.73 3ihb h ASP 203 Cb 0.72 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 3ihb h ASP 203 CO 0.04 0.36 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.67 3ihb h LEU 204 N -0.47 -0.57 -0.95 1.55 3.38 -1.30 0.66 115.31 117.62 3ihb h LEU 204 Ca -0.01 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3ihb h LEU 204 Cb 0.42 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3ihb h LEU 204 CO 0.01 -0.22 0.59 0.00 0.09 0.00 0.00 178.44 178.91 3ihb h ALA 205 N 0.94 1.38 -0.12 1.53 0.00 -1.51 0.65 119.26 122.12 3ihb h ALA 205 Ca 0.13 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3ihb h ALA 205 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ihb h ALA 205 CO -0.33 0.26 -0.62 0.28 0.00 0.00 0.00 179.25 178.84 3ihb h VAL 206 N 0.99 1.35 -0.22 0.00 2.07 -1.25 -1.05 116.25 118.15 3ihb h VAL 206 Ca 0.45 -1.94 -0.14 0.00 0.82 0.00 0.00 66.70 65.88 3ihb h VAL 206 Cb 0.35 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3ihb h VAL 206 CO -0.23 0.59 -0.46 0.24 0.02 0.00 0.00 177.57 177.72 3ihb h MET 207 N 0.31 0.56 -0.01 1.57 2.07 0.59 -2.72 114.93 117.31 3ihb h MET 207 Ca -0.01 -0.31 -0.12 0.00 -2.07 0.00 0.00 59.70 57.19 3ihb h MET 207 Cb 1.16 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.89 3ihb h MET 207 CO 0.11 0.91 -0.56 0.78 1.07 0.00 0.00 176.91 179.22 3ihb h GLY 208 N 1.06 0.02 1.22 8.32 0.00 0.43 -3.14 103.07 110.98 3ihb h GLY 208 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 3ihb h GLY 208 CO 0.09 0.02 -0.06 0.00 0.00 0.00 0.00 176.54 176.59 3ihb h ALA 209 N 1.43 0.91 -0.93 3.60 0.00 -0.88 -2.04 119.26 121.35 3ihb h ALA 209 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.66 3ihb h ALA 209 Cb 0.99 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3ihb h ALA 209 CO 0.07 0.64 0.60 0.00 0.00 0.00 0.00 179.25 180.56 3ihb h LEU 211 N 1.04 0.69 -1.57 0.00 3.38 -1.57 0.45 115.31 117.73 3ihb h LEU 211 Ca 0.41 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ihb h LEU 211 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ihb h LEU 211 CO -0.16 1.06 -0.18 0.00 0.09 0.00 0.00 178.44 179.25 3ihb h ALA 212 N 0.65 1.65 0.00 1.53 0.00 -0.64 -2.29 119.26 120.15 3ihb h ALA 212 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ihb h ALA 212 Cb 0.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ihb h ALA 212 CO 0.08 0.26 -0.14 0.25 0.00 0.00 0.00 179.25 179.70 3ihb n THR 213 N -4.30 0.34 0.00 0.00 -2.24 -0.40 0.10 114.28 107.77 3ihb n THR 213 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3ihb n THR 213 Cb 0.26 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.38 1.03 0.00 3.38 0.00 -0.86 -4.46 105.19 105.67 3ihb n GLY 214 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.72 0.97 3.71 -0.02 0.00 0.16 -2.70 105.19 105.59 3ihb n GLY 215 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 5.22 0.05 -0.61 1.01 -1.23 0.70 121.20 124.34 3ihb s ILE 216 Ca 0.00 0.82 -0.31 0.00 0.00 0.00 0.00 60.65 61.17 3ihb s ILE 216 Cb 0.00 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3ihb s ILE 216 CO 0.00 0.33 1.37 -2.28 0.00 0.00 0.00 174.94 174.35 3ihb s HIS 217 N 0.71 3.09 0.33 3.97 5.65 0.08 -4.42 115.29 124.69 3ihb s HIS 217 Ca 0.23 0.94 0.26 0.00 0.25 0.00 0.00 55.06 56.74 3ihb s HIS 217 Cb -0.14 -3.63 1.24 0.00 -1.18 0.00 0.00 32.58 28.87 3ihb s HIS 217 CO 0.08 -2.25 1.98 -1.00 -0.65 0.00 0.00 174.74 172.91 3ihb h PRO 218 N 7.27 0.00 0.00 2.88 0.13 -1.88 0.49 132.00 140.89 3ihb h PRO 218 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 3ihb h PRO 218 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3ihb h PRO 218 CO 0.87 0.17 -0.95 0.52 -0.23 0.00 0.00 178.00 178.39 3ihb h MET 219 N 0.00 0.00 0.00 0.86 2.86 -1.88 -3.18 114.93 113.58 3ihb h MET 219 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ihb h MET 219 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3ihb h MET 219 CO 0.02 0.13 -0.80 0.25 1.06 0.00 0.00 176.91 177.57 3ihb n THR 220 N -2.85 0.00 -0.95 2.22 -2.24 -1.18 -5.01 114.28 104.27 3ihb n THR 220 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3ihb n THR 220 Cb 0.65 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 2.02 0.78 3.75 3.38 0.00 0.17 -5.01 105.19 110.28 3ihb n GLY 221 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ihb n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ihb s GLU 222 N -0.05 4.43 -0.10 1.61 2.12 -1.25 -4.70 118.70 120.76 3ihb s GLU 222 Ca 0.00 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 3ihb s GLU 222 Cb 0.00 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3ihb s GLU 222 CO 0.00 0.34 1.43 0.50 -0.54 0.00 0.00 175.26 176.98 3ihb s ARG 223 N -0.18 4.22 -0.09 4.30 3.52 -1.26 -0.75 118.95 128.72 3ihb s ARG 223 Ca 0.35 1.90 0.20 0.00 -0.13 0.00 0.00 55.73 58.06 3ihb s ARG 223 Cb -0.20 -3.82 -0.27 0.00 -1.56 0.00 0.00 34.95 29.10 3ihb s ARG 223 CO 0.21 -0.73 0.35 -1.33 -0.81 0.00 0.00 175.30 172.99 3ihb n MET 224 N 6.59 0.67 -3.85 5.12 2.81 0.22 -4.93 117.12 123.75 3ihb n MET 224 Ca 0.15 -0.07 -0.11 0.00 -1.81 0.00 0.00 57.70 55.86 3ihb n MET 224 Cb 0.44 -1.56 -0.09 0.00 -0.71 0.00 0.00 33.22 31.30 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 -5.08 1.41 0.07 4.03 1.43 -0.73 -5.06 118.68 114.75 3ihb s LEU 225 Ca -0.08 -0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 3ihb s LEU 225 Cb 0.10 0.87 -0.06 0.00 0.03 0.00 0.00 46.19 47.13 3ihb s LEU 225 CO 0.86 -0.48 1.19 -2.16 0.23 0.00 0.00 176.35 176.00 3ihb s PRO 226 N -2.04 4.44 0.52 1.29 0.04 -1.26 -4.34 135.00 133.65 3ihb s PRO 226 Ca -0.09 1.77 0.33 0.00 0.04 0.00 0.00 61.00 63.06 3ihb s PRO 226 Cb -0.04 -3.34 1.48 0.00 0.04 0.00 0.00 34.50 32.64 3ihb s PRO 226 CO -0.01 -0.23 1.81 0.66 0.04 0.00 0.00 177.00 179.26 3ihb h SER 227 N 6.63 0.07 0.03 6.66 4.64 -1.90 0.29 113.55 129.97 3ihb h SER 227 Ca -0.42 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 3ihb h SER 227 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3ihb h SER 227 CO 0.80 0.01 -0.45 -0.29 -0.87 0.00 0.00 176.83 176.03 3ihb h ILE 228 N 0.06 1.31 -0.09 0.95 6.09 -1.91 -1.87 117.51 122.05 3ihb h ILE 228 Ca 0.56 -1.64 -0.21 0.00 -1.37 0.00 0.00 64.86 62.20 3ihb h ILE 228 Cb 2.10 1.65 0.00 0.00 0.47 0.00 0.00 36.82 41.04 3ihb h ILE 228 CO -0.06 0.51 -0.79 0.58 -3.07 0.00 0.00 178.15 175.32 3ihb h VAL 229 N 0.41 1.35 -0.33 2.19 2.07 -0.82 -2.85 116.25 118.26 3ihb h VAL 229 Ca 0.03 -2.14 -0.12 0.00 0.82 0.00 0.00 66.70 65.29 3ihb h VAL 229 Cb 0.95 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 3ihb h VAL 229 CO 0.08 0.65 -0.29 0.00 0.02 0.00 0.00 177.57 178.03 3ihb h ALA 230 N 0.77 0.86 -0.54 1.67 0.00 -1.35 -2.40 119.26 118.26 3ihb h ALA 230 Ca -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3ihb h ALA 230 Cb 1.39 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3ihb h ALA 230 CO 0.15 0.63 0.28 -0.09 0.00 0.00 0.00 179.25 180.22 3ihb h ARG 231 N 0.60 0.76 -0.50 0.00 2.43 -1.30 -0.19 114.38 116.17 3ihb h ARG 231 Ca 0.07 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3ihb h ARG 231 Cb 0.80 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3ihb h ARG 231 CO 0.07 0.60 0.19 -0.09 -1.51 0.00 0.00 179.97 179.22 3ihb h ARG 232 N 0.72 0.75 -0.27 0.20 9.65 -1.39 -0.37 114.38 123.69 3ihb h ARG 232 Ca 0.19 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3ihb h ARG 232 Cb 0.07 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 3ihb h ARG 232 CO -0.03 0.68 0.10 0.28 2.80 0.00 0.00 179.97 183.80 3ihb h VAL 233 N 0.67 1.18 -0.19 0.20 2.07 -1.13 -1.74 116.25 117.31 3ihb h VAL 233 Ca 0.16 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 3ihb h VAL 233 Cb 0.22 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3ihb h VAL 233 CO -0.01 0.18 -0.23 0.58 0.02 0.00 0.00 177.57 178.12 3ihb h VAL 234 N 0.28 1.24 -0.60 2.57 2.07 -0.94 -1.18 116.25 119.69 3ihb h VAL 234 Ca 0.09 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 3ihb h VAL 234 Cb 0.19 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3ihb h VAL 234 CO -0.01 0.35 0.23 0.28 0.02 0.00 0.00 177.57 178.44 3ihb h SER 235 N 0.31 0.84 0.81 0.57 0.02 -0.78 -2.14 113.55 113.18 3ihb h SER 235 Ca 0.05 -0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 60.66 3ihb h SER 235 Cb 0.58 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3ihb h SER 235 CO 0.04 0.79 -0.78 0.58 -1.14 0.00 0.00 176.83 176.32 3ihb h VAL 236 N 0.83 1.54 -0.70 2.27 2.07 -1.11 -2.15 116.25 119.01 3ihb h VAL 236 Ca 0.20 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.99 3ihb h VAL 236 Cb 0.22 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 3ihb h VAL 236 CO -0.01 0.76 0.29 0.24 0.02 0.00 0.00 177.57 178.87 3ihb h MET 237 N 0.00 1.04 -0.20 1.57 2.86 -1.00 0.23 114.93 119.42 3ihb h MET 237 Ca -0.01 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 3ihb h MET 237 Cb 1.40 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 3ihb h MET 237 CO 0.10 0.85 -0.24 1.15 1.06 0.00 0.00 176.91 179.84 3ihb h THR 238 N 0.99 1.33 0.00 2.22 2.02 -1.26 0.30 112.91 118.52 3ihb h THR 238 Ca 0.23 -1.42 -0.13 0.00 0.77 0.00 0.00 66.41 65.86 3ihb h THR 238 Cb 0.20 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3ihb h THR 238 CO -0.02 0.43 -0.69 0.77 0.37 0.00 0.00 175.52 176.38 3ihb h SER 239 N 0.19 0.00 0.00 4.18 4.64 -1.33 -3.40 113.55 117.83 3ihb h SER 239 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ihb h SER 239 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3ihb h SER 239 CO 0.06 0.61 0.00 -1.20 -0.87 0.00 0.00 176.83 175.43 3ihb n SER 240 N -3.22 0.10 -0.32 4.97 7.64 0.06 -4.53 113.62 118.32 3ihb n SER 240 Ca 0.00 -0.44 0.09 0.00 1.01 0.00 0.00 58.87 59.53 3ihb n SER 240 Cb 0.79 0.58 0.29 0.00 -1.01 0.00 0.00 64.21 64.86 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 1.47 -2.65 0.23 0.00 -0.87 -1.65 103.07 99.59 3ihb h GLY 241 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3ihb h GLY 241 CO 0.00 0.14 0.00 1.03 0.00 0.00 0.00 176.54 177.71 3ihb n MET 242 N -4.59 3.79 0.00 4.80 2.81 -1.26 -4.77 117.12 117.90 3ihb n MET 242 Ca 0.18 -2.88 0.00 0.00 -1.81 0.00 0.00 57.70 53.19 3ihb n MET 242 Cb 0.39 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 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 0.50 0.00 0.21 2.03 4.02 -0.62 -2.13 117.16 121.17 3ihb n TYR 243 Ca 0.24 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.18 3ihb n TYR 243 Cb 0.94 0.02 0.26 0.00 -0.02 0.00 0.00 39.34 40.54 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 2.40 0.19 -1.33 7.72 8.00 -1.26 -1.33 116.55 130.95 3ihb n ASP 244 Ca 0.00 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.18 3ihb n ASP 244 Cb 0.00 -0.60 0.31 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.59 2.51 -0.15 2.24 0.00 -0.91 -4.53 120.51 118.09 3ihb n ALA 245 Ca 0.01 -1.27 -0.07 0.00 0.00 0.00 0.00 53.44 52.11 3ihb n ALA 245 Cb 0.08 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 4.24 0.59 -0.35 0.00 0.00 -1.25 0.05 119.26 122.54 3ihb h ALA 246 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ihb h ALA 246 Cb 1.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3ihb h ALA 246 CO 0.04 0.01 0.06 0.78 0.00 0.00 0.00 179.25 180.14 3ihb h GLY 247 N 0.60 0.39 0.92 0.00 0.00 -1.83 0.20 103.07 103.36 3ihb h GLY 247 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.51 3ihb h GLY 247 CO -0.05 -0.03 0.20 -1.61 0.00 0.00 0.00 176.54 175.05 3ihb h GLN 248 N 0.17 0.40 -0.63 4.80 5.75 -1.80 -2.23 115.11 121.58 3ihb h GLN 248 Ca 0.17 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 3ihb h GLN 248 Cb 0.19 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 3ihb h GLN 248 CO -0.23 0.27 0.17 2.35 -2.65 0.00 0.00 178.83 178.74 3ihb h TRP 249 N 0.42 1.01 -0.38 3.99 2.91 -0.32 -1.29 115.95 122.28 3ihb h TRP 249 Ca 0.14 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 3ihb h TRP 249 Cb 0.00 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.34 3ihb h TRP 249 CO -0.07 0.83 0.19 1.25 -1.03 0.00 0.00 178.44 179.61 3ihb h LEU 250 N 0.94 0.49 -0.19 0.65 5.85 -0.34 0.91 115.31 123.62 3ihb h LEU 250 Ca 0.20 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3ihb h LEU 250 Cb 0.31 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3ihb h LEU 250 CO -0.00 0.47 -0.15 0.00 -0.34 0.00 0.00 178.44 178.41 3ihb h ALA 251 N 1.05 0.27 0.03 1.25 0.00 -1.18 -1.69 119.26 118.99 3ihb h ALA 251 Ca 0.13 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 3ihb h ALA 251 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ihb h ALA 251 CO -0.02 0.16 -1.05 -0.44 0.00 0.00 0.00 179.25 177.90 3ihb h ASP 252 N 0.11 0.09 0.00 0.00 3.32 -1.23 -3.42 116.42 115.28 3ihb h ASP 252 Ca 0.03 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3ihb h ASP 252 Cb 0.68 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ihb h ASP 252 CO 0.04 1.07 -1.13 0.52 -1.72 0.00 0.00 179.24 178.02 3ihb n VAL 253 N -3.39 0.17 -2.28 -1.35 0.31 0.16 -4.82 118.33 107.14 3ihb n VAL 253 Ca -0.02 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 3ihb n VAL 253 Cb 0.96 -1.54 -0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 2.84 -0.12 3.05 2.92 0.00 -0.30 -4.49 105.19 109.09 3ihb n GLY 254 Ca -0.05 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.64 1.80 -0.05 -0.61 1.01 -1.26 -1.12 121.20 118.32 3ihb s ILE 255 Ca 0.02 -0.90 -0.33 0.00 0.00 0.00 0.00 60.65 59.45 3ihb s ILE 255 Cb -0.01 -1.72 -0.11 0.00 0.01 0.00 0.00 42.46 40.63 3ihb s ILE 255 CO 0.02 0.38 1.93 -2.65 0.00 0.00 0.00 174.94 174.63 3ihb n PRO 256 N 4.68 2.40 -3.81 2.79 -0.02 -1.26 -4.90 135.00 134.88 3ihb n PRO 256 Ca -0.18 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3ihb n PRO 256 Cb 0.49 -2.78 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 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 4.37 -0.52 -0.16 3.55 0.00 -1.26 -1.86 121.76 125.88 3ihb s ALA 257 Ca 0.92 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 3ihb s ALA 257 Cb -0.60 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.35 3ihb s ALA 257 CO 0.48 -0.68 0.36 0.21 0.00 0.00 0.00 175.76 176.13 3ihb s LYS 258 N -3.89 0.31 0.18 0.00 2.47 -0.43 -4.49 119.74 113.89 3ihb s LYS 258 Ca 0.10 0.77 -0.02 0.00 -1.56 0.00 0.00 55.97 55.26 3ihb s LYS 258 Cb 0.02 0.01 -0.05 0.00 -1.46 0.00 0.00 37.83 36.35 3ihb s LYS 258 CO -0.05 -0.19 0.38 0.45 0.16 0.00 0.00 175.35 176.10 3ihb s SER 259 N 1.68 6.41 0.07 1.43 0.15 -1.26 -0.34 113.70 121.84 3ihb s SER 259 Ca -0.07 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.11 3ihb s SER 259 Cb -0.10 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 3ihb s SER 259 CO -0.11 -0.01 -0.23 -0.83 1.20 0.00 0.00 173.24 173.25 3ihb s GLY 260 N -2.96 1.52 0.00 9.45 0.00 0.17 -4.03 107.32 111.47 3ihb s GLY 260 Ca 0.39 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.86 3ihb s GLY 260 CO 0.28 -1.21 0.73 3.33 0.00 0.00 0.00 173.10 176.23 3ihb n VAL 261 N 1.44 0.00 0.83 1.40 0.24 -1.26 -1.87 118.33 119.11 3ihb n VAL 261 Ca -0.17 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.23 3ihb n VAL 261 Cb 0.52 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 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 -0.66 3.28 0.00 2.33 0.00 -1.26 -4.26 120.51 119.95 3ihb n ALA 262 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3ihb n ALA 262 Cb 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.26 1.60 3.84 0.00 0.00 -0.78 -4.33 105.19 106.76 3ihb n GLY 263 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.99 2.50 -0.06 -0.02 0.00 -1.23 -1.20 107.32 105.32 3ihb s GLY 264 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.63 3ihb s GLY 264 CO 0.00 0.19 -0.17 0.14 0.00 0.00 0.00 173.10 173.26 3ihb s VAL 265 N -1.32 1.45 -0.12 1.40 1.01 0.73 0.44 120.40 123.99 3ihb s VAL 265 Ca 0.33 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3ihb s VAL 265 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3ihb s VAL 265 CO 0.18 0.42 0.09 -0.22 0.00 0.00 0.00 175.10 175.57 3ihb s LEU 266 N 0.24 4.09 0.01 3.92 0.20 0.54 -1.33 118.68 126.35 3ihb s LEU 266 Ca -0.09 0.33 0.00 0.00 0.69 0.00 0.00 54.13 55.06 3ihb s LEU 266 Cb -0.14 -1.99 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 3ihb s LEU 266 CO 0.04 0.37 -0.02 -0.83 -0.29 0.00 0.00 176.35 175.62 3ihb s GLY 267 N -0.81 0.12 -0.26 7.98 0.00 -0.54 -1.32 107.32 112.49 3ihb s GLY 267 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.58 3ihb s GLY 267 CO 0.03 -0.29 0.40 0.00 0.00 0.00 0.00 173.10 173.24 3ihb s ALA 268 N -0.61 -1.16 -0.34 3.20 0.00 -0.78 -0.88 121.76 121.19 3ihb s ALA 268 Ca -0.06 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 3ihb s ALA 268 Cb -0.04 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.25 3ihb s ALA 268 CO -0.00 -1.45 0.17 -1.17 0.00 0.00 0.00 175.76 173.31 3ihb s LEU 269 N 2.55 4.40 -0.19 0.00 2.96 -0.42 -4.06 118.68 123.92 3ihb s LEU 269 Ca 0.12 -0.80 -0.41 0.00 -0.22 0.00 0.00 54.13 52.82 3ihb s LEU 269 Cb -0.14 -2.00 -0.18 0.00 0.50 0.00 0.00 46.19 44.37 3ihb s LEU 269 CO -0.21 -0.29 1.46 -0.81 -1.32 0.00 0.00 176.35 175.17 3ihb n PRO 270 N 4.97 0.59 -0.79 0.98 -0.04 -1.26 -0.73 135.00 138.72 3ihb n PRO 270 Ca -0.13 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3ihb n PRO 270 Cb 0.47 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 3.14 0.48 1.34 0.55 0.00 0.11 -4.81 105.19 106.00 3ihb n GLY 271 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.88 0.00 -3.46 1.61 1.74 0.09 -4.94 116.66 109.82 3ihb n ARG 272 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3ihb n ARG 272 Cb 0.03 -0.34 -0.03 0.00 -1.02 0.00 0.00 32.46 31.10 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 -2.00 0.00 -0.09 1.55 0.11 -0.95 -4.19 120.40 114.82 3ihb s VAL 273 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 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 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.85 3ihb s GLY 274 N -2.19 1.64 0.00 6.54 0.00 0.26 -1.31 107.32 112.26 3ihb s GLY 274 Ca -0.02 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.86 3ihb s GLY 274 CO -0.05 -0.47 -0.17 -0.42 0.00 0.00 0.00 173.10 171.99 3ihb s ILE 275 N -0.33 1.36 -0.05 0.90 1.01 -0.06 -0.93 121.20 123.10 3ihb s ILE 275 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3ihb s ILE 275 Cb -0.13 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.22 3ihb s ILE 275 CO 0.02 0.30 -0.02 -0.83 0.00 0.00 0.00 174.94 174.42 3ihb s GLY 276 N -0.63 0.40 0.01 6.18 0.00 -0.89 -1.47 107.32 110.92 3ihb s GLY 276 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.79 3ihb s GLY 276 CO 0.00 0.73 -0.10 0.14 0.00 0.00 0.00 173.10 173.87 3ihb s VAL 277 N 1.32 0.78 -0.04 1.40 1.01 -0.44 -1.03 120.40 123.39 3ihb s VAL 277 Ca -0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3ihb s VAL 277 Cb -0.13 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.56 3ihb s VAL 277 CO -0.02 0.06 -0.10 0.12 0.00 0.00 0.00 175.10 175.16 3ihb s PHE 278 N -0.54 1.16 -0.30 5.22 5.36 0.00 -0.20 117.98 128.69 3ihb s PHE 278 Ca 0.01 -0.34 -0.15 0.00 -0.96 0.00 0.00 56.93 55.49 3ihb s PHE 278 Cb -0.05 -0.84 0.18 0.00 -0.34 0.00 0.00 43.02 41.96 3ihb s PHE 278 CO 0.00 -0.16 1.14 0.45 -1.46 0.00 0.00 175.22 175.19 3ihb s SER 279 N 0.38 -0.23 0.20 6.13 0.15 -0.34 -1.49 113.70 118.49 3ihb s SER 279 Ca -0.07 0.09 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 3ihb s SER 279 Cb -0.12 1.17 0.14 0.00 -1.71 0.00 0.00 66.02 65.51 3ihb s SER 279 CO 0.01 -0.04 1.57 -0.65 1.20 0.00 0.00 173.24 175.33 3ihb h PRO 280 N 7.65 -0.11 -6.88 5.44 0.11 -1.75 -3.38 132.00 133.08 3ihb h PRO 280 Ca -0.11 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.48 3ihb h PRO 280 Cb 1.18 0.02 0.07 0.00 0.11 0.00 0.00 31.00 32.38 3ihb h PRO 280 CO -0.16 -0.07 0.67 1.03 -0.21 0.00 0.00 178.00 179.26 3ihb s ARG 281 N -5.93 4.31 0.15 1.05 0.52 -1.26 -4.22 118.95 113.56 3ihb s ARG 281 Ca -0.14 2.28 0.06 0.00 -0.52 0.00 0.00 55.73 57.41 3ihb s ARG 281 Cb 0.17 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 3ihb s ARG 281 CO 0.69 -0.27 0.04 -0.51 0.02 0.00 0.00 175.30 175.27 3ihb s LEU 282 N -1.72 3.50 0.00 2.53 1.43 0.37 -1.77 118.68 123.01 3ihb s LEU 282 Ca 0.50 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 3ihb s LEU 282 Cb -0.41 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3ihb s LEU 282 CO 0.54 0.11 0.00 -0.90 0.23 0.00 0.00 176.35 176.32 3ihb n ASP 283 N -0.00 -0.04 0.00 2.29 5.68 0.46 -2.28 116.55 122.65 3ihb n ASP 283 Ca -0.10 -0.30 0.12 0.00 -0.50 0.00 0.00 54.79 54.01 3ihb n ASP 283 Cb 0.54 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.08 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 -0.35 0.10 -0.21 0.11 0.00 -1.26 -2.98 120.64 116.04 3ihb n GLU 284 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 57.16 57.29 3ihb n GLU 284 Cb 0.00 -1.50 0.16 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 -1.44 1.45 -0.52 3.84 0.24 -1.26 -4.99 118.33 115.63 3ihb n VAL 285 Ca 0.08 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 3ihb n VAL 285 Cb 0.27 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.12 0.76 3.95 7.63 0.00 -1.16 -5.07 105.19 111.18 3ihb n GLY 286 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.85 5.57 -0.26 1.61 0.01 -1.26 -4.63 114.94 113.13 3ihb s ASN 287 Ca 0.00 0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 52.11 3ihb s ASN 287 Cb 0.00 -1.32 -0.02 0.00 0.41 0.00 0.00 41.25 40.32 3ihb s ASN 287 CO 0.00 -0.93 1.67 -0.55 -1.51 0.00 0.00 177.10 175.78 3ihb s SER 288 N -4.31 6.23 0.13 -1.22 0.15 -1.26 -0.41 113.70 113.01 3ihb s SER 288 Ca 0.52 1.51 -0.29 0.00 0.70 0.00 0.00 55.95 58.39 3ihb s SER 288 Cb -0.10 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.62 3ihb s SER 288 CO 0.39 -1.40 1.58 0.00 1.20 0.00 0.00 173.24 175.01 3ihb h ALA 289 N 11.38 -0.60 0.00 5.45 0.00 -1.61 -0.29 119.26 133.59 3ihb h ALA 289 Ca -0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3ihb h ALA 289 Cb 1.16 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3ihb h ALA 289 CO 1.01 -0.93 -0.40 0.00 0.00 0.00 0.00 179.25 178.93 3ihb h ARG 290 N -0.49 0.00 0.57 0.00 3.08 -1.88 -2.98 114.38 112.68 3ihb h ARG 290 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3ihb h ARG 290 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.68 3ihb h ARG 290 CO -0.41 0.40 -0.27 0.78 -1.07 0.00 0.00 179.97 179.41 3ihb h GLY 291 N 2.85 -0.79 1.64 0.04 0.00 -1.61 0.23 103.07 105.43 3ihb h GLY 291 Ca -0.00 0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.51 3ihb h GLY 291 CO 0.05 -0.29 -0.34 -0.39 0.00 0.00 0.00 176.54 175.58 3ihb h VAL 292 N -0.78 1.29 -0.58 4.60 -1.51 -1.17 -2.86 116.25 115.24 3ihb h VAL 292 Ca -0.08 -1.41 -0.04 0.00 -1.23 0.00 0.00 66.70 63.94 3ihb h VAL 292 Cb 0.59 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 3ihb h VAL 292 CO 0.13 0.44 0.20 0.25 -1.23 0.00 0.00 177.57 177.36 3ihb h LEU 293 N 0.35 0.83 -1.64 4.19 5.85 -1.41 -2.07 115.31 121.41 3ihb h LEU 293 Ca 0.04 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3ihb h LEU 293 Cb 0.76 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3ihb h LEU 293 CO 0.06 0.79 0.19 0.00 -0.34 0.00 0.00 178.44 179.14 3ihb h ALA 294 N 1.06 1.73 -0.22 1.25 0.00 -0.73 -1.52 119.26 120.83 3ihb h ALA 294 Ca 0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3ihb h ALA 294 Cb 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ihb h ALA 294 CO -0.01 0.24 -0.32 0.00 0.00 0.00 0.00 179.25 179.16 3ihb h ARG 296 N 0.30 0.59 -0.25 0.00 2.43 -0.70 -1.07 114.38 115.69 3ihb h ARG 296 Ca 0.02 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 3ihb h ARG 296 Cb 0.90 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3ihb h ARG 296 CO 0.07 0.39 -0.35 0.00 -1.51 0.00 0.00 179.97 178.58 3ihb h ARG 297 N 0.61 0.68 -0.66 0.20 2.47 -1.14 -1.56 114.38 114.97 3ihb h ARG 297 Ca 0.20 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.49 3ihb h ARG 297 Cb 0.05 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3ihb h ARG 297 CO -0.05 1.01 0.29 -0.07 0.56 0.00 0.00 179.97 181.70 3ihb h LEU 298 N 0.40 0.88 -0.17 3.04 3.38 -0.83 -0.17 115.31 121.83 3ihb h LEU 298 Ca 0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3ihb h LEU 298 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3ihb h LEU 298 CO 0.08 0.77 -0.05 -1.28 0.09 0.00 0.00 178.44 178.05 3ihb h SER 299 N 0.95 0.34 0.04 -0.43 0.87 -1.09 -1.93 113.55 112.30 3ihb h SER 299 Ca 0.23 -0.38 -0.23 0.00 -1.23 0.00 0.00 61.79 60.18 3ihb h SER 299 Cb 0.15 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3ihb h SER 299 CO -0.02 0.64 -0.85 -0.33 -0.53 0.00 0.00 176.83 175.74 3ihb h GLU 300 N 0.03 0.64 0.02 2.24 5.08 -1.14 0.76 114.58 122.20 3ihb h GLU 300 Ca 0.04 -0.58 -0.22 0.00 -1.00 0.00 0.00 59.36 57.61 3ihb h GLU 300 Cb 0.50 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3ihb h GLU 300 CO 0.02 1.19 -0.95 -0.44 -1.00 0.00 0.00 179.01 177.83 3ihb h ASP 301 N 0.41 0.38 0.00 1.42 3.32 -1.11 -3.36 116.42 117.49 3ihb h ASP 301 Ca -0.07 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3ihb h ASP 301 Cb 1.48 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3ihb h ASP 301 CO 0.16 1.14 -0.61 0.49 -1.72 0.00 0.00 179.24 178.70 3ihb n PHE 302 N -3.67 0.00 -1.74 4.55 0.99 -0.72 -4.99 117.46 111.88 3ihb n PHE 302 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.33 3ihb n PHE 302 Cb 0.85 -0.01 -0.01 0.00 -1.00 0.00 0.00 39.48 39.30 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 -1.31 -0.53 -2.15 -1.08 5.12 0.24 -4.90 116.66 112.05 3ihb n ARG 303 Ca 0.02 0.51 -0.41 0.00 -1.93 0.00 0.00 57.85 56.04 3ihb n ARG 303 Cb 0.19 -4.36 -0.01 0.00 -1.16 0.00 0.00 32.46 27.12 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 -0.92 5.37 -3.98 0.55 4.77 -1.08 -4.80 117.00 116.91 3ihb n LEU 304 Ca -0.08 -3.86 -0.24 0.00 -0.03 0.00 0.00 56.01 51.81 3ihb n LEU 304 Cb 0.42 -1.68 -0.17 0.00 -2.33 0.00 0.00 43.42 39.67 3ihb n LEU 304 CO 0.10 0.26 -0.45 -2.28 -1.33 0.00 0.00 177.39 173.69 3ihb s HIS 305 N 4.55 1.30 0.38 -1.77 2.46 -1.26 -4.44 115.29 116.50 3ihb s HIS 305 Ca 0.53 -0.48 0.20 0.00 0.47 0.00 0.00 55.06 55.78 3ihb s HIS 305 Cb 0.08 -0.99 1.19 0.00 -0.13 0.00 0.00 32.58 32.72 3ihb s HIS 305 CO 0.03 -0.28 1.67 1.25 -2.47 0.00 0.00 174.74 174.94 3ihb h LEU 306 N 7.12 0.43 -0.59 8.88 5.85 -1.38 0.29 115.31 135.91 3ihb h LEU 306 Ca -0.32 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3ihb h LEU 306 Cb 1.17 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3ihb h LEU 306 CO 0.47 -0.12 0.00 0.23 -0.34 0.00 0.00 178.44 178.68 3ihb n MET 307 N -4.88 1.40 -3.18 1.25 2.81 -1.26 -4.53 117.12 108.72 3ihb n MET 307 Ca 0.32 -0.58 -0.46 0.00 -1.81 0.00 0.00 57.70 55.17 3ihb n MET 307 Cb 1.09 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 32.12 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 -1.89 6.62 0.51 7.83 -0.00 0.10 -5.02 116.67 124.82 3ihb s ASP 308 Ca 0.39 -2.30 -0.20 0.00 -0.00 0.00 0.00 52.55 50.45 3ihb s ASP 308 Cb 0.20 -2.28 -0.11 0.00 -0.00 0.00 0.00 42.92 40.74 3ihb s ASP 308 CO 0.32 -0.80 0.51 0.61 -0.00 0.00 0.00 175.17 175.81 3ihb n GLY 309 N 4.64 -1.56 3.14 0.21 0.00 -1.26 -4.80 105.19 105.56 3ihb n GLY 309 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ihb n GLY 309 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihb s ASP 310 N -1.06 -1.28 0.07 1.61 2.15 -1.26 -5.16 116.67 111.75 3ihb s ASP 310 Ca 0.66 -0.41 0.02 0.00 0.43 0.00 0.00 52.55 53.24 3ihb s ASP 310 Cb -0.51 1.85 -0.03 0.00 -0.30 0.00 0.00 42.92 43.93 3ihb s ASP 310 CO 0.57 -0.24 -0.07 -0.94 -0.17 0.00 0.00 175.17 174.32 3ihb s SER 311 N 2.27 0.99 0.19 -0.34 1.04 -1.26 -5.06 113.70 111.53 3ihb s SER 311 Ca 0.13 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.63 3ihb s SER 311 Cb -0.08 0.07 0.13 0.00 0.10 0.00 0.00 66.02 66.25 3ihb s SER 311 CO -0.16 -0.36 1.83 0.25 0.98 0.00 0.00 173.24 175.78 3ihb h LEU 312 N 3.64 0.60 0.00 2.42 5.85 -1.96 -3.47 115.31 122.38 3ihb h LEU 312 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3ihb h LEU 312 Cb 1.18 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3ihb h LEU 312 CO 0.54 0.42 0.00 0.61 -0.34 0.00 0.00 178.44 179.67 3ihb n GLY 313 N -1.26 2.32 0.29 3.75 0.00 -1.26 -1.66 105.19 107.37 3ihb n GLY 313 Ca 0.05 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 45.94 3ihb n GLY 313 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ihb h GLY 314 N 0.00 0.00 1.17 -0.02 0.00 -1.70 -2.18 103.07 100.34 3ihb h GLY 314 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ihb h GLY 314 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 3ihb n THR 315 N -2.82 0.21 0.22 4.70 -1.04 -0.66 -1.26 114.28 113.62 3ihb n THR 315 Ca -0.02 0.05 0.09 0.00 -2.04 0.00 0.00 64.05 62.13 3ihb n THR 315 Cb 0.13 -0.86 0.48 0.00 -1.82 0.00 0.00 70.33 68.25 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 2.69 1.07 -1.94 2.41 0.00 -1.55 -3.38 119.26 118.56 3ihb h ALA 316 Ca 0.00 -0.22 -0.68 0.00 0.00 0.00 0.00 54.91 54.01 3ihb h ALA 316 Cb 0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.60 3ihb h ALA 316 CO 0.00 0.30 0.17 0.08 0.00 0.00 0.00 179.25 179.80 3ihb s VAL 317 N -3.75 4.75 0.12 0.00 1.01 -0.39 -0.04 120.40 122.10 3ihb s VAL 317 Ca -0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3ihb s VAL 317 Cb 0.11 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3ihb s VAL 317 CO 0.64 -1.04 1.62 -0.09 0.00 0.00 0.00 175.10 176.23 3ihb h ARG 318 N 9.16 0.57 -1.36 2.72 2.43 -0.99 -3.00 114.38 123.91 3ihb h ARG 318 Ca -0.28 -0.13 0.28 0.00 -0.81 0.00 0.00 59.98 59.03 3ihb h ARG 318 Cb 1.09 -0.08 -0.19 0.00 -0.42 0.00 0.00 29.97 30.38 3ihb h ARG 318 CO 1.06 0.61 0.86 -0.59 -1.51 0.00 0.00 179.97 180.39 3ihb s PHE 319 N -5.32 -0.09 -0.21 2.20 -0.71 -1.22 -4.69 117.98 107.95 3ihb s PHE 319 Ca -0.13 0.05 -0.00 0.00 -1.04 0.00 0.00 56.93 55.80 3ihb s PHE 319 Cb 0.09 0.51 0.05 0.00 -1.21 0.00 0.00 43.02 42.47 3ihb s PHE 319 CO 0.76 -0.16 -0.03 0.08 -1.34 0.00 0.00 175.22 174.52 3ihb s VAL 320 N -2.32 1.18 -0.15 -2.49 1.01 -1.26 -2.42 120.40 113.95 3ihb s VAL 320 Ca 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ihb s VAL 320 Cb -0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 3ihb s VAL 320 CO -0.04 -0.06 -0.15 -1.61 0.00 0.00 0.00 175.10 173.24 3ihb s GLU 321 N 1.57 3.25 -1.13 2.72 2.02 -0.32 -4.77 118.70 122.05 3ihb s GLU 321 Ca -0.03 -0.74 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 3ihb s GLU 321 Cb -0.17 -2.63 0.24 0.00 0.10 0.00 0.00 34.13 31.67 3ihb s GLU 321 CO -0.07 0.06 1.19 0.50 0.02 0.00 0.00 175.26 176.96 3ihb s ARG 322 N 0.72 4.14 0.23 1.61 6.06 -1.26 0.16 118.95 130.61 3ihb s ARG 322 Ca -0.07 -2.98 -0.06 0.00 -2.50 0.00 0.00 55.73 50.12 3ihb s ARG 322 Cb -0.15 -4.70 0.33 0.00 0.06 0.00 0.00 34.95 30.48 3ihb s ARG 322 CO 0.01 -1.40 1.81 1.49 -2.50 0.00 0.00 175.30 174.71 3ihb h GLU 323 N 6.89 0.72 0.00 5.12 4.57 -1.91 -3.47 114.58 126.50 3ihb h GLU 323 Ca 0.21 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3ihb h GLU 323 Cb 0.88 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3ihb h GLU 323 CO 1.07 0.48 0.00 0.41 -1.18 0.00 0.00 179.01 179.79 3ihb n GLY 324 N -1.31 -2.15 0.08 1.92 0.00 -1.26 -4.96 105.19 97.51 3ihb n GLY 324 Ca 0.11 0.70 -0.09 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.52 2.19 -4.95 1.61 4.64 -1.26 -4.70 116.55 112.55 3ihb n ASP 325 Ca 0.00 -0.04 -0.24 0.00 -1.38 0.00 0.00 54.79 53.13 3ihb n ASP 325 Cb 0.00 0.29 -0.02 0.00 -1.04 0.00 0.00 41.12 40.35 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 -2.33 3.46 -0.07 -0.67 1.70 -1.26 -1.93 118.95 117.85 3ihb s ARG 326 Ca -0.15 -0.59 0.05 0.00 -0.47 0.00 0.00 55.73 54.57 3ihb s ARG 326 Cb 0.05 -2.88 -0.00 0.00 -0.57 0.00 0.00 34.95 31.55 3ihb s ARG 326 CO 0.47 0.42 -0.21 0.08 -1.08 0.00 0.00 175.30 174.98 3ihb s VAL 327 N -1.92 1.80 -0.25 4.99 1.01 0.14 -2.75 120.40 123.41 3ihb s VAL 327 Ca 0.36 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 3ihb s VAL 327 Cb -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3ihb s VAL 327 CO 0.30 0.50 0.11 -0.36 0.00 0.00 0.00 175.10 175.65 3ihb s PHE 328 N 0.14 3.16 -0.25 5.22 0.40 0.12 -0.50 117.98 126.28 3ihb s PHE 328 Ca -0.10 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 3ihb s PHE 328 Cb -0.15 -2.26 0.05 0.00 0.51 0.00 0.00 43.02 41.17 3ihb s PHE 328 CO 0.05 -0.21 -0.11 -1.17 0.70 0.00 0.00 175.22 174.48 3ihb s LEU 329 N 1.46 3.19 -0.15 -0.37 2.96 0.12 -1.17 118.68 124.72 3ihb s LEU 329 Ca 0.06 -1.16 -0.05 0.00 -0.22 0.00 0.00 54.13 52.76 3ihb s LEU 329 Cb -0.15 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3ihb s LEU 329 CO 0.06 -0.15 0.02 -1.00 -1.32 0.00 0.00 176.35 173.96 3ihb s HIS 330 N 1.19 3.19 0.33 5.38 3.76 -1.02 -0.66 115.29 127.46 3ihb s HIS 330 Ca -0.04 0.03 0.08 0.00 -0.15 0.00 0.00 55.06 54.97 3ihb s HIS 330 Cb -0.18 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 3ihb s HIS 330 CO -0.06 0.21 0.26 -0.51 -0.85 0.00 0.00 174.74 173.79 3ihb s LEU 331 N -0.01 3.53 0.11 0.89 1.43 -0.16 -0.54 118.68 123.93 3ihb s LEU 331 Ca 0.04 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 3ihb s LEU 331 Cb -0.13 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.05 3ihb s LEU 331 CO 0.02 -0.33 0.67 0.00 0.23 0.00 0.00 176.35 176.93 3ihb s GLN 332 N -3.96 1.16 1.13 1.70 -2.07 0.95 -3.78 119.66 114.78 3ihb s GLN 332 Ca 0.40 -0.38 0.00 0.00 -1.82 0.00 0.00 55.36 53.56 3ihb s GLN 332 Cb -0.05 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 3ihb s GLN 332 CO 0.26 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 3ihb n GLY 333 N -0.25 -1.76 3.41 2.60 0.00 -1.14 -4.39 105.19 103.67 3ihb n GLY 333 Ca -0.15 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 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 5.02 -0.25 1.61 1.01 -1.26 -1.19 120.40 125.35 3ihb s VAL 334 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 3ihb s VAL 334 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3ihb s VAL 334 CO 0.00 -0.77 0.95 -0.63 0.00 0.00 0.00 175.10 174.65 3ihb s ILE 335 N 2.20 4.73 0.00 2.22 -1.09 -0.06 -4.81 121.20 124.38 3ihb s ILE 335 Ca 0.10 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 3ihb s ILE 335 Cb -0.23 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 3ihb s ILE 335 CO 0.09 -0.17 0.00 0.54 -1.23 0.00 0.00 174.94 174.17 3ihb n ARG 336 N 6.25 1.57 -0.24 2.79 1.74 -1.26 -2.31 116.66 125.20 3ihb n ARG 336 Ca 0.09 0.00 0.21 0.00 -0.77 0.00 0.00 57.85 57.38 3ihb n ARG 336 Cb 0.47 0.00 0.55 0.00 -1.02 0.00 0.00 32.46 32.46 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 0.14 0.45 0.49 -1.55 3.57 -1.95 0.94 116.94 119.03 3ihb h PHE 337 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3ihb h PHE 337 Cb 0.00 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3ihb h PHE 337 CO 0.00 0.11 -0.24 0.78 -2.23 0.00 0.00 178.31 176.73 3ihb h GLY 338 N 0.33 -0.69 0.67 2.40 0.00 -1.95 -0.43 103.07 103.40 3ihb h GLY 338 Ca 0.47 0.26 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 3ihb h GLY 338 CO -0.16 -0.25 -0.02 -1.33 0.00 0.00 0.00 176.54 174.78 3ihb h GLY 339 N -0.76 -0.05 0.40 4.60 0.00 -1.55 -2.96 103.07 102.75 3ihb h GLY 339 Ca -0.07 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.41 3ihb h GLY 339 CO 0.11 -0.02 0.59 0.00 0.00 0.00 0.00 176.54 177.22 3ihb h ALA 340 N 0.56 1.46 -0.50 3.60 0.00 -0.90 -0.84 119.26 122.65 3ihb h ALA 340 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ihb h ALA 340 Cb 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ihb h ALA 340 CO 0.01 0.14 0.33 1.49 0.00 0.00 0.00 179.25 181.21 3ihb h GLU 341 N 0.90 0.65 -0.56 0.00 4.22 -1.03 -1.49 114.58 117.26 3ihb h GLU 341 Ca 0.49 -0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.81 3ihb h GLU 341 Cb 0.55 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3ihb h GLU 341 CO -0.29 0.43 0.04 0.00 -2.18 0.00 0.00 179.01 177.01 3ihb h ALA 342 N 1.19 1.01 -0.15 2.92 0.00 -1.12 -2.78 119.26 120.32 3ihb h ALA 342 Ca 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ihb h ALA 342 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ihb h ALA 342 CO -0.05 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.15 3ihb h VAL 343 N 0.87 0.96 -0.01 0.00 2.07 -0.66 -1.31 116.25 118.17 3ihb h VAL 343 Ca 0.17 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3ihb h VAL 343 Cb 0.46 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3ihb h VAL 343 CO 0.02 0.02 0.04 -0.07 0.02 0.00 0.00 177.57 177.60 3ihb h LEU 344 N 0.12 0.00 0.14 2.57 3.38 -1.03 -0.94 115.31 119.55 3ihb h LEU 344 Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 3ihb h LEU 344 Cb 0.04 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ihb h LEU 344 CO -0.07 0.00 -1.08 0.44 0.09 0.00 0.00 178.44 177.82 3ihb h ASP 345 N 0.00 0.70 0.16 -0.43 5.19 -1.01 -2.80 116.42 118.23 3ihb h ASP 345 Ca 0.01 -0.88 -0.00 0.00 -0.62 0.00 0.00 57.03 55.54 3ihb h ASP 345 Cb 0.09 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.37 3ihb h ASP 345 CO -0.00 1.52 -0.11 0.00 -3.12 0.00 0.00 179.24 177.53 3ihb h ALA 346 N 0.20 -0.25 0.12 3.45 0.00 -0.51 0.08 119.26 122.35 3ihb h ALA 346 Ca -0.17 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3ihb h ALA 346 Cb 1.81 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 3ihb h ALA 346 CO 0.20 -0.65 -0.30 -0.07 0.00 0.00 0.00 179.25 178.43 3ihb h LEU 347 N -0.26 -0.87 -1.69 0.00 3.38 -1.46 -1.69 115.31 112.72 3ihb h LEU 347 Ca -0.01 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ihb h LEU 347 Cb 0.23 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3ihb h LEU 347 CO 0.01 -0.39 0.26 0.74 0.09 0.00 0.00 178.44 179.15 3ihb h THR 348 N -0.52 1.02 0.00 0.22 2.02 -1.40 0.97 112.91 115.21 3ihb h THR 348 Ca 0.03 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3ihb h THR 348 Cb 0.55 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3ihb h THR 348 CO -0.17 0.07 0.00 0.47 0.37 0.00 0.00 175.52 176.26 3ihb n ASP 349 N -4.48 0.00 -4.35 4.18 10.43 0.00 -3.62 116.55 118.71 3ihb n ASP 349 Ca 0.04 0.33 -0.46 0.00 2.57 0.00 0.00 54.79 57.27 3ihb n ASP 349 Cb 0.16 -0.41 -0.01 0.00 1.84 0.00 0.00 41.12 42.70 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 -2.83 6.43 0.00 0.64 1.43 0.33 -4.15 118.68 120.54 3ihb s LEU 350 Ca 0.10 -2.89 -0.11 0.00 -1.03 0.00 0.00 54.13 50.20 3ihb s LEU 350 Cb 0.10 -2.24 -0.13 0.00 0.03 0.00 0.00 46.19 43.95 3ihb s LEU 350 CO 0.25 -0.55 1.01 0.54 0.23 0.00 0.00 176.35 177.84 3ihb n ARG 351 N 3.93 0.00 0.08 1.70 1.74 -1.24 -4.48 116.66 118.40 3ihb n ARG 351 Ca 0.18 -0.55 0.11 0.00 -0.77 0.00 0.00 57.85 56.82 3ihb n ARG 351 Cb 0.45 -1.92 0.44 0.00 -1.02 0.00 0.00 32.46 30.40 3ihb n ARG 351 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ihb n THR 352 N 5.18 0.81 0.00 0.55 -2.24 -1.26 -4.39 114.28 112.93 3ihb n THR 352 Ca 0.16 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 3ihb n THR 352 Cb 0.18 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 3ihb n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihb n GLY 353 N 0.21 0.90 0.00 3.38 0.00 -1.26 -4.83 105.19 103.59 3ihb n GLY 353 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3ihb n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihb n ALA 354 N -3.00 0.01 -0.77 4.61 0.00 -1.26 -5.14 120.51 114.97 3ihb n ALA 354 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3ihb n ALA 354 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 3ihb n ALA 354 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ihb n GLU 355 N 0.00 -0.80 -3.39 0.00 4.71 -1.26 -4.92 120.64 114.97 3ihb n GLU 355 Ca 0.00 -0.21 -0.44 0.00 -0.01 0.00 0.00 57.16 56.50 3ihb n GLU 355 Cb 0.06 -1.69 -0.02 0.00 -1.01 0.00 0.00 31.44 28.79 3ihb n GLU 355 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 3ihb s LYS 356 N -3.37 3.92 0.00 3.49 0.00 -1.26 -5.01 119.74 117.52 3ihb s LYS 356 Ca 0.54 -3.08 0.00 0.00 0.00 0.00 0.00 55.97 53.43 3ihb s LYS 356 Cb -0.15 -4.42 0.00 0.00 0.00 0.00 0.00 37.83 33.25 3ihb s LYS 356 CO 0.68 -1.25 0.00 -0.35 0.00 0.00 0.00 175.35 174.43 3ihb n PRO 357 N 2.88 0.00 -0.97 1.78 -0.04 -1.26 -4.98 135.00 132.41 3ihb n PRO 357 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3ihb n PRO 357 Cb 0.40 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 3ihb n PRO 357 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ihb n GLY 358 N 0.00 -4.07 3.69 0.55 0.00 -1.26 -5.00 105.19 99.10 3ihb n GLY 358 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 3ihb n GLY 358 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ihb s THR 359 N -0.14 2.55 -1.78 2.61 -4.23 -1.26 -4.88 115.64 108.51 3ihb s THR 359 Ca 0.00 0.18 0.14 0.00 -1.18 0.00 0.00 61.69 60.83 3ihb s THR 359 Cb 0.00 -2.59 0.34 0.00 1.34 0.00 0.00 72.50 71.59 3ihb s THR 359 CO 0.00 -0.23 1.31 0.61 -0.54 0.00 0.00 174.62 175.77 3ihb n GLY 360 N -0.85 -0.56 3.48 3.99 0.00 -1.26 -4.73 105.19 105.26 3ihb n GLY 360 Ca 0.07 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.22 2.41 -0.24 1.61 1.48 -1.26 -5.12 118.94 115.60 3ihb s TRP 361 Ca 0.18 -0.31 -0.20 0.00 -1.06 0.00 0.00 56.10 54.71 3ihb s TRP 361 Cb 0.10 -1.15 -0.02 0.00 -1.16 0.00 0.00 33.47 31.23 3ihb s TRP 361 CO 0.18 0.55 0.63 0.34 -4.06 0.00 0.00 176.95 174.59 3ihb s ASP 362 N -2.94 6.59 0.49 -2.66 -1.08 -1.26 -4.95 116.67 110.87 3ihb s ASP 362 Ca 0.24 0.73 0.17 0.00 -0.52 0.00 0.00 52.55 53.17 3ihb s ASP 362 Cb -0.07 -2.34 1.22 0.00 -1.46 0.00 0.00 42.92 40.26 3ihb s ASP 362 CO 0.13 -0.35 2.06 0.00 0.52 0.00 0.00 175.17 177.54 3ihb h ALA 363 N 7.81 2.11 -0.12 3.66 0.00 -1.97 -0.71 119.26 130.05 3ihb h ALA 363 Ca -0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3ihb h ALA 363 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ihb h ALA 363 CO 0.77 -0.18 -0.29 0.00 0.00 0.00 0.00 179.25 179.55 3ihb h ALA 364 N 1.84 1.29 0.16 0.00 0.00 -1.99 -3.16 119.26 117.41 3ihb h ALA 364 Ca 0.14 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 3ihb h ALA 364 Cb 0.38 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ihb h ALA 364 CO -0.02 0.48 -1.24 0.28 0.00 0.00 0.00 179.25 178.76 3ihb h VAL 365 N 0.21 1.25 -2.82 0.00 2.07 -1.57 -3.40 116.25 111.99 3ihb h VAL 365 Ca 0.03 -2.52 -0.70 0.00 0.82 0.00 0.00 66.70 64.33 3ihb h VAL 365 Cb 0.62 2.97 -0.35 0.00 -1.52 0.00 0.00 31.29 33.00 3ihb h VAL 365 CO 0.04 0.75 0.01 -1.22 0.02 0.00 0.00 177.57 177.17 3ihb n TYR 366 N -3.92 3.45 -0.36 1.57 4.02 -0.72 -4.88 117.16 116.31 3ihb n TYR 366 Ca -0.19 -3.68 0.09 0.00 -0.01 0.00 0.00 57.90 54.11 3ihb n TYR 366 Cb 0.93 -0.98 0.26 0.00 -0.02 0.00 0.00 39.34 39.53 3ihb n TYR 366 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3ihb h PRO 367 N 5.21 0.88 -0.44 -0.72 0.11 -1.77 -1.79 132.00 133.47 3ihb h PRO 367 Ca 0.19 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.31 3ihb h PRO 367 Cb 0.70 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.55 3ihb h PRO 367 CO 1.00 0.58 0.09 0.00 -0.21 0.00 0.00 178.00 179.46 3ihb h ARG 368 N 0.91 0.21 -0.63 1.05 2.47 -1.89 -2.10 114.38 114.40 3ihb h ARG 368 Ca 0.52 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 59.16 3ihb h ARG 368 Cb 0.61 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 3ihb h ARG 368 CO -0.30 0.14 0.12 -1.49 0.56 0.00 0.00 179.97 179.00 3ihb h TRP 369 N 0.22 1.07 -0.03 3.04 4.06 -1.73 -1.84 115.95 120.75 3ihb h TRP 369 Ca 0.21 -0.13 0.01 0.00 2.06 0.00 0.00 58.89 61.04 3ihb h TRP 369 Cb 0.27 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 3ihb h TRP 369 CO -0.21 0.90 -0.03 0.37 -3.56 0.00 0.00 178.44 175.90 3ihb h GLN 370 N 0.96 -0.05 0.61 0.49 4.15 -1.07 -0.07 115.11 120.14 3ihb h GLN 370 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 3ihb h GLN 370 Cb 0.39 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3ihb h GLN 370 CO 0.01 -0.03 -0.43 0.93 -1.93 0.00 0.00 178.83 177.38 3ihb h GLU 371 N -0.05 -0.97 -0.80 1.69 5.08 -1.27 -2.61 114.58 115.67 3ihb h GLU 371 Ca 0.03 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.63 3ihb h GLU 371 Cb 0.09 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 3ihb h GLU 371 CO -0.06 -0.64 0.23 0.00 -1.00 0.00 0.00 179.01 177.54 3ihb h ALA 372 N -0.77 1.10 0.00 3.43 0.00 -1.19 0.59 119.26 122.43 3ihb h ALA 372 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ihb h ALA 372 Cb 0.83 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ihb h ALA 372 CO 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.94 3ihb n ALA 373 N -2.64 1.49 -0.05 0.00 0.00 -0.05 -2.57 120.51 116.69 3ihb n ALA 373 Ca 0.17 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.60 3ihb n ALA 373 Cb 0.53 -1.30 0.10 0.00 0.00 0.00 0.00 19.45 18.78 3ihb n ALA 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ihb h ALA 374 N 2.25 0.86 -2.07 0.00 0.00 0.58 -3.31 119.26 117.57 3ihb h ALA 374 Ca 0.00 -0.40 -0.80 0.00 0.00 0.00 0.00 54.91 53.71 3ihb h ALA 374 Cb 0.24 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 17.64 3ihb h ALA 374 CO 0.00 0.63 0.79 -3.47 0.00 0.00 0.00 179.25 177.20 3ihb n ASP 375 N -4.07 5.93 -0.26 0.00 -0.08 -1.06 -4.91 116.55 112.10 3ihb n ASP 375 Ca -0.01 -3.23 -0.03 0.00 -1.51 0.00 0.00 54.79 50.01 3ihb n ASP 375 Cb 0.47 -1.34 -0.01 0.00 2.34 0.00 0.00 41.12 42.58 3ihb n ASP 375 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3ihb n ARG 376 N 2.25 -0.20 -0.03 -0.67 0.63 -1.25 -1.09 116.66 116.29 3ihb n ARG 376 Ca 0.27 0.99 -0.07 0.00 -0.92 0.00 0.00 57.85 58.12 3ihb n ARG 376 Cb 0.36 -1.46 0.11 0.00 0.45 0.00 0.00 32.46 31.92 3ihb n ARG 376 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ihb h ALA 377 N 0.67 0.89 0.55 5.13 0.00 -1.94 -2.96 119.26 121.61 3ihb h ALA 377 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3ihb h ALA 377 Cb 0.34 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ihb h ALA 377 CO -0.63 0.63 -0.27 0.00 0.00 0.00 0.00 179.25 178.98 3ihb h ALA 378 N 1.12 -0.74 -0.53 0.00 0.00 -1.49 -1.77 119.26 115.84 3ihb h ALA 378 Ca 0.06 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ihb h ALA 378 Cb 0.82 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3ihb h ALA 378 CO 0.07 -0.90 0.35 1.25 0.00 0.00 0.00 179.25 180.02 3ihb h LEU 379 N -0.78 0.51 -0.50 0.00 5.85 -1.58 -1.99 115.31 116.82 3ihb h LEU 379 Ca -0.08 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3ihb h LEU 379 Cb 0.59 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ihb h LEU 379 CO 0.12 0.35 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.24 3ihb h SER 380 N 0.60 0.91 -0.53 1.25 0.87 -1.33 -2.64 113.55 112.68 3ihb h SER 380 Ca 0.22 -0.33 -0.10 0.00 -1.23 0.00 0.00 61.79 60.35 3ihb h SER 380 Cb 0.12 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3ihb h SER 380 CO -0.06 1.03 -0.04 0.00 -0.53 0.00 0.00 176.83 177.23 3ihb h ALA 381 N 0.91 0.72 0.00 6.23 0.00 -0.73 -0.05 119.26 126.34 3ihb h ALA 381 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ihb h ALA 381 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ihb h ALA 381 CO 0.04 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3ihb n ALA 382 N -2.47 2.32 -1.08 0.00 0.00 -0.80 -3.56 120.51 114.91 3ihb n ALA 382 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3ihb n ALA 382 Cb 0.35 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3ihb n ALA 382 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ihb n THR 383 N -1.12 0.14 -3.17 0.00 -2.24 -1.00 -5.05 114.28 101.84 3ihb n THR 383 Ca 0.15 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 3ihb n THR 383 Cb 0.13 0.83 0.06 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.08 -0.13 0.84 3.38 0.00 -0.37 -4.95 105.19 103.87 3ihb n GLY 384 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.36 1.14 7.00 -0.02 0.00 -0.17 -2.75 105.19 109.03 3ihb n GLY 385 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.08 2.90 1.52 -0.02 0.00 -1.26 -2.49 105.19 106.93 3ihb n GLY 386 Ca 0.14 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 8.88 3.07 -0.24 4.61 0.00 -1.13 -4.57 120.51 131.12 3ihb n ALA 387 Ca 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 53.44 51.82 3ihb n ALA 387 Cb 0.00 -0.97 0.25 0.00 0.00 0.00 0.00 19.45 18.73 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 3.88 1.15 0.00 0.00 2.07 -1.68 -1.85 116.25 119.82 3ihb h VAL 388 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ihb h VAL 388 Cb 1.44 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3ihb h VAL 388 CO 0.23 0.19 0.00 1.12 0.02 0.00 0.00 177.57 179.13 3ihb h HIS 389 N 1.02 0.00 0.00 1.57 -0.00 -1.80 -2.13 115.15 113.80 3ihb h HIS 389 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.67 3ihb h HIS 389 Cb -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 3ihb h HIS 389 CO -0.00 0.00 -0.07 0.93 -0.00 0.00 0.00 177.93 178.79 3ihb h GLU 390 N 0.00 0.00 0.03 5.12 5.08 -1.68 -2.92 114.58 120.22 3ihb h GLU 390 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ihb h GLU 390 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ihb h GLU 390 CO 0.00 0.07 -0.02 0.00 -1.00 0.00 0.00 179.01 178.06 3ihb h ALA 391 N 1.93 -0.05 -0.83 3.43 0.00 -1.55 -2.41 119.26 119.79 3ihb h ALA 391 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.77 3ihb h ALA 391 Cb 0.36 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3ihb h ALA 391 CO 0.01 -0.28 0.54 0.00 0.00 0.00 0.00 179.25 179.52 3ihb h ALA 392 N 0.40 1.72 -0.63 0.00 0.00 -1.68 0.43 119.26 119.50 3ihb h ALA 392 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ihb h ALA 392 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ihb h ALA 392 CO 0.01 0.11 0.23 0.00 0.00 0.00 0.00 179.25 179.60 3ihb h ALA 393 N 1.58 1.23 -0.67 0.00 0.00 -1.42 -2.05 119.26 117.94 3ihb h ALA 393 Ca 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3ihb h ALA 393 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ihb h ALA 393 CO -0.15 0.56 0.26 0.00 0.00 0.00 0.00 179.25 179.92 3ihb h ALA 394 N 1.35 1.20 -0.05 0.00 0.00 -0.41 -0.34 119.26 121.01 3ihb h ALA 394 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ihb h ALA 394 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ihb h ALA 394 CO -0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3ihb n ALA 395 N -2.45 2.57 -0.01 0.00 0.00 -0.83 -3.09 120.51 116.70 3ihb n ALA 395 Ca 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 3ihb n ALA 395 Cb 0.18 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.45 1.62 0.51 0.00 0.00 -0.14 -3.86 120.51 118.19 3ihb n ALA 396 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3ihb n ALA 396 Cb 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3ihb n ALA 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ihb n ARG 397 N -3.00 0.99 0.24 0.00 1.74 -1.18 -4.36 116.66 111.09 3ihb n ARG 397 Ca -0.15 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 3ihb n ARG 397 Cb 0.99 -1.01 -0.06 0.00 -1.02 0.00 0.00 32.46 31.36 3ihb n ARG 397 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3ihb h ASP 398 N 0.35 -0.81 0.88 0.55 1.82 -1.79 0.91 116.42 118.32 3ihb h ASP 398 Ca 0.00 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 3ihb h ASP 398 Cb 0.99 0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.25 3ihb h ASP 398 CO 0.00 -0.45 -0.49 -0.33 -1.61 0.00 0.00 179.24 176.36 3ihb h GLU 399 N -0.71 -1.22 -0.80 0.28 4.39 -1.90 -3.07 114.58 111.55 3ihb h GLU 399 Ca -0.06 0.08 0.15 0.00 0.34 0.00 0.00 59.36 59.88 3ihb h GLU 399 Cb 0.58 0.28 -0.15 0.00 -0.10 0.00 0.00 28.75 29.36 3ihb h GLU 399 CO 0.03 -0.81 -0.24 -0.91 -1.16 0.00 0.00 179.01 175.91 3ihb h ASN 400 N -1.26 -0.89 -1.29 1.42 2.35 -1.87 -3.42 115.58 110.63 3ihb h ASN 400 Ca -0.12 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3ihb h ASN 400 Cb 0.99 0.54 0.00 0.00 0.05 0.00 0.00 38.32 39.90 3ihb h ASN 400 CO 0.16 -0.28 0.00 0.47 -1.65 0.00 0.00 177.43 176.13 3ihb n ASP 401 N -5.51 0.23 0.00 5.81 8.00 0.31 -5.14 116.55 120.25 3ihb n ASP 401 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3ihb n ASP 401 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3ihb n ASP 401 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihb n GLY 402 N 5.00 4.33 3.79 0.44 0.00 -1.25 -4.77 105.19 112.73 3ihb n GLY 402 Ca 0.00 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 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 3.13 4.20 0.34 1.61 0.04 -1.26 -4.75 135.00 138.30 3ihb s PRO 403 Ca 0.00 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 3ihb s PRO 403 Cb 0.00 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 31.14 3ihb s PRO 403 CO 0.00 0.54 1.44 -0.89 0.04 0.00 0.00 177.00 178.13 3ihb n ILE 404 N 2.17 1.70 0.00 0.56 5.41 -1.26 -4.88 119.36 123.06 3ihb n ILE 404 Ca -0.10 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.23 3ihb n ILE 404 Cb 0.51 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 3ihb n ILE 404 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3ihb n ARG 405 N 0.97 2.87 -3.84 0.38 1.74 -0.81 -4.97 116.66 113.00 3ihb n ARG 405 Ca 0.05 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3ihb n ARG 405 Cb 0.37 -0.74 -0.14 0.00 -1.02 0.00 0.00 32.46 30.93 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 -1.03 -0.00 -0.07 0.55 2.01 -1.24 -1.27 115.64 114.59 3ihb s THR 406 Ca 0.00 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3ihb s THR 406 Cb 0.00 -0.10 0.02 0.00 0.01 0.00 0.00 72.50 72.43 3ihb s THR 406 CO 0.00 0.01 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.14 3ihb s VAL 407 N 0.12 1.05 -0.15 3.82 1.01 0.96 0.25 120.40 127.46 3ihb s VAL 407 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3ihb s VAL 407 Cb -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3ihb s VAL 407 CO -0.00 0.34 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 3ihb s VAL 408 N 0.80 3.27 -0.37 2.92 1.01 0.35 0.14 120.40 128.52 3ihb s VAL 408 Ca -0.12 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 3ihb s VAL 408 Cb -0.15 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.86 3ihb s VAL 408 CO 0.02 0.50 0.19 -0.76 0.00 0.00 0.00 175.10 175.05 3ihb s LEU 409 N 0.53 4.70 -0.21 3.92 1.43 0.10 0.15 118.68 129.31 3ihb s LEU 409 Ca -0.07 -1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 51.77 3ihb s LEU 409 Cb -0.15 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3ihb s LEU 409 CO 0.03 -0.40 0.31 0.21 0.23 0.00 0.00 176.35 176.73 3ihb s ASN 410 N 1.61 6.34 0.00 2.29 3.84 0.17 0.84 114.94 130.04 3ihb s ASN 410 Ca 0.01 0.40 0.04 0.00 0.21 0.00 0.00 52.86 53.51 3ihb s ASN 410 Cb -0.20 -2.19 0.09 0.00 -0.55 0.00 0.00 41.25 38.40 3ihb s ASN 410 CO 0.05 -0.00 0.97 0.18 -2.79 0.00 0.00 177.10 175.50 3ihb n LEU 411 N 4.25 2.06 -0.29 3.21 4.77 -0.42 -0.99 117.00 129.59 3ihb n LEU 411 Ca -0.11 -1.74 0.11 0.00 -0.03 0.00 0.00 56.01 54.24 3ihb n LEU 411 Cb 0.51 -0.06 0.35 0.00 -2.33 0.00 0.00 43.42 41.89 3ihb n LEU 411 CO 0.38 0.50 1.22 0.00 -1.33 0.00 0.00 177.39 178.17 3ihb h ALA 412 N 0.72 1.76 -0.00 -1.18 0.00 -1.84 -1.75 119.26 116.96 3ihb h ALA 412 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ihb h ALA 412 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ihb h ALA 412 CO 0.00 -0.01 -0.04 0.54 0.00 0.00 0.00 179.25 179.74 3ihb n ARG 413 N -4.57 0.30 -2.71 0.00 5.12 -1.26 -4.82 116.66 108.72 3ihb n ARG 413 Ca 0.18 -0.03 -0.41 0.00 -1.93 0.00 0.00 57.85 55.66 3ihb n ARG 413 Cb 0.44 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 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 -2.72 4.26 -0.01 1.55 1.01 -0.66 -2.86 120.40 120.96 3ihb s VAL 414 Ca 0.23 2.02 -0.07 0.00 0.00 0.00 0.00 61.98 64.15 3ihb s VAL 414 Cb 0.20 -4.29 -0.30 0.00 0.00 0.00 0.00 36.38 31.99 3ihb s VAL 414 CO 0.50 0.38 0.81 0.44 0.00 0.00 0.00 175.10 177.23 3ihb h ASP 415 N 4.97 0.53 -5.24 3.32 3.32 -1.46 -3.45 116.42 118.41 3ihb h ASP 415 Ca -0.44 -0.73 0.30 0.00 0.02 0.00 0.00 57.03 56.19 3ihb h ASP 415 Cb 1.21 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 3ihb h ASP 415 CO 0.70 1.60 0.82 0.00 -1.72 0.00 0.00 179.24 180.65 3ihb s ARG 416 N -2.60 0.36 -0.10 3.56 1.70 -1.23 -5.02 118.95 115.63 3ihb s ARG 416 Ca -0.11 -0.18 -0.12 0.00 -0.47 0.00 0.00 55.73 54.84 3ihb s ARG 416 Cb 0.06 0.14 0.03 0.00 -0.57 0.00 0.00 34.95 34.61 3ihb s ARG 416 CO 0.87 -0.16 0.33 -1.50 -1.08 0.00 0.00 175.30 173.75 3ihb s ILE 417 N -2.42 0.01 0.64 4.99 2.07 -1.26 -0.89 121.20 124.35 3ihb s ILE 417 Ca 0.13 -0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3ihb s ILE 417 Cb 0.03 -0.50 0.07 0.00 0.13 0.00 0.00 42.46 42.19 3ihb s ILE 417 CO -0.04 -0.05 0.90 1.51 -1.91 0.00 0.00 174.94 175.35 3ihb s ASP 418 N -0.12 4.85 0.19 4.50 -4.77 -0.98 -4.88 116.67 115.45 3ihb s ASP 418 Ca -0.03 -0.04 -0.13 0.00 -3.30 0.00 0.00 52.55 49.06 3ihb s ASP 418 Cb -0.03 -0.62 0.21 0.00 -1.09 0.00 0.00 42.92 41.39 3ihb s ASP 418 CO 0.01 -1.49 1.70 0.44 0.70 0.00 0.00 175.17 176.53 3ihb h ASP 419 N -0.28 -0.11 -0.47 2.11 3.32 -1.99 -1.16 116.42 117.84 3ihb h ASP 419 Ca -0.41 0.11 0.08 0.00 0.02 0.00 0.00 57.03 56.84 3ihb h ASP 419 Cb 1.29 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.95 3ihb h ASP 419 CO 0.49 -0.03 0.07 0.58 -1.72 0.00 0.00 179.24 178.64 3ihb h VAL 420 N 0.18 0.71 -0.80 -1.35 2.07 -1.94 -1.01 116.25 114.10 3ihb h VAL 420 Ca 0.26 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 3ihb h VAL 420 Cb 0.39 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3ihb h VAL 420 CO -0.39 0.04 0.45 1.23 0.02 0.00 0.00 177.57 178.92 3ihb h GLY 421 N 0.20 1.18 0.44 2.17 0.00 -1.61 -2.14 103.07 103.31 3ihb h GLY 421 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3ihb h GLY 421 CO -0.33 0.50 -0.27 3.21 0.00 0.00 0.00 176.54 179.65 3ihb h ARG 422 N 1.10 -0.64 -0.35 4.80 3.08 -0.03 -1.49 114.38 120.85 3ihb h ARG 422 Ca 0.28 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.45 3ihb h ARG 422 Cb 0.01 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ihb h ARG 422 CO -0.05 -0.43 0.24 0.07 -1.07 0.00 0.00 179.97 178.74 3ihb h ARG 423 N -0.66 0.11 -0.13 0.04 0.11 -1.28 0.23 114.38 112.79 3ihb h ARG 423 Ca -0.06 -0.01 -0.10 0.00 0.10 0.00 0.00 59.98 59.91 3ihb h ARG 423 Cb 0.53 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3ihb h ARG 423 CO 0.06 0.07 -0.31 -0.07 0.10 0.00 0.00 179.97 179.82 3ihb h LEU 424 N 0.11 0.51 -0.99 0.08 3.38 -1.30 -1.19 115.31 115.90 3ihb h LEU 424 Ca 0.16 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 3ihb h LEU 424 Cb 0.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ihb h LEU 424 CO -0.02 0.99 -0.41 0.40 0.09 0.00 0.00 178.44 179.49 3ihb h ILE 425 N 0.05 1.02 0.19 1.22 2.04 -0.57 -1.60 117.51 119.86 3ihb h ILE 425 Ca -0.00 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 3ihb h ILE 425 Cb 0.91 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3ihb h ILE 425 CO 0.07 0.40 -0.09 0.00 0.00 0.00 0.00 178.15 178.53 3ihb h ALA 426 N 1.59 -0.26 -0.74 1.87 0.00 -0.47 -2.13 119.26 119.12 3ihb h ALA 426 Ca -0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3ihb h ALA 426 Cb 0.88 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3ihb h ALA 426 CO 0.05 -0.45 0.49 1.49 0.00 0.00 0.00 179.25 180.83 3ihb h GLU 427 N -0.65 0.50 -0.49 0.00 4.57 -1.07 0.10 114.58 117.55 3ihb h GLU 427 Ca -0.03 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 3ihb h GLU 427 Cb 0.47 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3ihb h GLU 427 CO 0.04 0.33 -0.03 0.78 -1.18 0.00 0.00 179.01 178.95 3ihb h GLY 428 N 0.52 0.91 0.70 1.92 0.00 -1.08 -2.51 103.07 103.52 3ihb h GLY 428 Ca 0.35 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3ihb h GLY 428 CO -0.12 0.59 -0.14 -2.08 0.00 0.00 0.00 176.54 174.79 3ihb h VAL 429 N 0.78 1.36 -0.75 4.60 2.07 -0.20 -2.57 116.25 121.54 3ihb h VAL 429 Ca 0.14 -1.33 0.12 0.00 0.82 0.00 0.00 66.70 66.45 3ihb h VAL 429 Cb 0.51 1.98 -0.09 0.00 -1.52 0.00 0.00 31.29 32.17 3ihb h VAL 429 CO 0.03 0.38 0.34 -0.09 0.02 0.00 0.00 177.57 178.25 3ihb h ARG 430 N -0.11 0.51 0.00 1.57 2.43 -1.00 -1.53 114.38 116.25 3ihb h ARG 430 Ca 0.02 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 3ihb h ARG 430 Cb 0.68 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3ihb h ARG 430 CO 0.03 0.34 -0.54 0.00 -1.51 0.00 0.00 179.97 178.30 3ihb h ARG 431 N 0.53 0.00 -0.28 0.20 3.08 -1.45 -2.85 114.38 113.61 3ihb h ARG 431 Ca 0.40 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.37 3ihb h ARG 431 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3ihb h ARG 431 CO -0.35 0.54 -0.12 1.25 -1.07 0.00 0.00 179.97 180.22 3ihb h LEU 432 N 0.00 0.59 -1.78 3.04 5.85 -0.87 -2.55 115.31 119.60 3ihb h LEU 432 Ca -0.01 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.33 3ihb h LEU 432 Cb 1.05 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3ihb h LEU 432 CO 0.07 0.85 0.18 1.56 -0.34 0.00 0.00 178.44 180.76 3ihb h GLN 433 N 0.32 0.29 0.00 1.25 4.20 -1.35 -0.83 115.11 119.00 3ihb h GLN 433 Ca 0.07 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3ihb h GLN 433 Cb 0.62 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 3ihb h GLN 433 CO 0.04 0.19 -0.03 0.00 -0.67 0.00 0.00 178.83 178.36 3ihb h ALA 434 N 1.84 1.12 -0.35 3.87 0.00 -1.21 0.12 119.26 124.65 3ihb h ALA 434 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ihb h ALA 434 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ihb h ALA 434 CO -0.02 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 3ihb n ASP 435 N -3.29 2.11 -1.53 0.00 8.00 -0.32 -4.87 116.55 116.65 3ihb n ASP 435 Ca -0.02 -2.06 -0.08 0.00 0.71 0.00 0.00 54.79 53.34 3ihb n ASP 435 Cb 0.16 -0.29 0.03 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.97 0.42 3.44 0.44 0.00 0.41 -4.89 105.19 105.97 3ihb n GLY 436 Ca 0.12 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.07 3.14 -0.23 1.61 1.01 -1.21 -4.98 120.40 116.67 3ihb s VAL 437 Ca 0.19 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3ihb s VAL 437 Cb -0.08 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3ihb s VAL 437 CO 0.24 0.56 1.10 -0.60 0.00 0.00 0.00 175.10 176.39 3ihb s ARG 438 N -0.18 4.22 -0.21 2.72 3.52 -0.40 -4.08 118.95 124.54 3ihb s ARG 438 Ca 0.00 1.38 -0.05 0.00 -0.13 0.00 0.00 55.73 56.93 3ihb s ARG 438 Cb -0.13 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 29.55 3ihb s ARG 438 CO 0.03 -0.69 0.01 0.08 -0.81 0.00 0.00 175.30 173.92 3ihb s VAL 439 N 3.35 3.98 -0.24 7.11 1.01 -1.26 -0.03 120.40 134.32 3ihb s VAL 439 Ca 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3ihb s VAL 439 Cb -0.16 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.43 3ihb s VAL 439 CO 0.09 0.41 -0.08 -0.70 0.00 0.00 0.00 175.10 174.83 3ihb s GLU 440 N 1.18 2.84 -0.31 2.72 2.12 0.12 -4.97 118.70 122.41 3ihb s GLU 440 Ca 0.03 -0.97 -0.16 0.00 0.36 0.00 0.00 54.97 54.23 3ihb s GLU 440 Cb -0.14 -2.94 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 3ihb s GLU 440 CO 0.02 -0.38 0.42 0.08 -0.54 0.00 0.00 175.26 174.86 3ihb s VAL 441 N 1.32 5.12 -1.09 3.70 1.01 -1.26 0.01 120.40 129.20 3ihb s VAL 441 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3ihb s VAL 441 Cb -0.16 -3.82 0.24 0.00 0.00 0.00 0.00 36.38 32.64 3ihb s VAL 441 CO -0.05 -0.03 1.14 -1.61 0.00 0.00 0.00 175.10 174.55 3ihb s GLU 442 N 2.17 4.08 -0.89 2.72 2.02 0.25 -4.93 118.70 124.12 3ihb s GLU 442 Ca 0.16 -2.93 -0.02 0.00 0.02 0.00 0.00 54.97 52.20 3ihb s GLU 442 Cb -0.16 -4.67 0.22 0.00 0.10 0.00 0.00 34.13 29.62 3ihb s GLU 442 CO 0.11 -1.38 0.77 0.34 0.02 0.00 0.00 175.26 175.12 3ihb s ASP 443 N 1.85 5.98 0.56 -0.19 2.15 -1.26 -1.30 116.67 124.45 3ihb s ASP 443 Ca 0.32 -3.70 0.38 0.00 0.43 0.00 0.00 52.55 49.97 3ihb s ASP 443 Cb -0.08 -1.91 1.54 0.00 -0.30 0.00 0.00 42.92 42.17 3ihb s ASP 443 CO -0.06 -0.19 1.73 1.55 -0.17 0.00 0.00 175.17 178.03 3ihb h PRO 444 N 6.03 0.00 0.00 4.34 0.13 -1.91 -3.42 132.00 137.17 3ihb h PRO 444 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3ihb h PRO 444 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3ihb h PRO 444 CO 0.85 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.01 3ihb n GLU 445 N -4.02 0.00 0.01 0.86 1.02 -1.26 -5.10 120.64 112.15 3ihb n GLU 445 Ca 0.28 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.39 3ihb n GLU 445 Cb 1.37 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.78 3ihb n GLU 445 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ihb n ARG 446 N 0.00 0.16 0.00 3.49 5.12 -1.26 -5.06 116.66 119.11 3ihb n ARG 446 Ca 0.00 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 3ihb n ARG 446 Cb 0.00 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 3ihb n ARG 446 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3ihb n ILE 447 N -3.78 0.00 -0.85 0.55 3.06 -1.26 -5.11 119.36 111.97 3ihb n ILE 447 Ca -0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 3ihb n ILE 447 Cb 0.16 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.34 3ihb n ILE 447 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23