#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih9 s ARG 2 N 0.00 3.73 0.16 3.17 1.70 -1.26 -5.03 118.95 121.42 3ih9 s ARG 2 Ca 0.00 -0.03 -0.34 0.00 -0.47 0.00 0.00 55.73 54.89 3ih9 s ARG 2 Cb 0.00 -3.26 -0.15 0.00 -0.57 0.00 0.00 34.95 30.98 3ih9 s ARG 2 CO 0.00 0.63 1.45 1.58 -1.08 0.00 0.00 175.30 177.88 3ih9 n HIS 3 N 2.37 2.00 0.25 5.89 -0.00 -1.26 -4.89 115.22 119.58 3ih9 n HIS 3 Ca -0.17 0.42 0.13 0.00 -0.00 0.00 0.00 57.72 58.10 3ih9 n HIS 3 Cb 0.54 -2.46 0.56 0.00 -0.00 0.00 0.00 29.99 28.63 3ih9 n HIS 3 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3ih9 h PRO 4 N 5.03 0.00 0.04 1.57 0.13 -2.01 -3.35 132.00 133.41 3ih9 h PRO 4 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3ih9 h PRO 4 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ih9 h PRO 4 CO 0.82 0.11 -0.02 0.82 -0.23 0.00 0.00 178.00 179.50 3ih9 h ILE 5 N 0.00 1.12 -0.05 -3.56 2.04 -2.00 -1.82 117.51 113.24 3ih9 h ILE 5 Ca -0.00 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3ih9 h ILE 5 Cb 0.64 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3ih9 h ILE 5 CO 0.01 0.13 0.09 1.55 0.00 0.00 0.00 178.15 179.93 3ih9 h PRO 6 N -0.27 0.00 -0.06 2.37 0.13 -1.87 0.18 132.00 132.48 3ih9 h PRO 6 Ca -0.01 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 3ih9 h PRO 6 Cb 0.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.39 3ih9 h PRO 6 CO 0.01 0.00 -0.87 -0.44 -0.23 0.00 0.00 178.00 176.47 3ih9 h ASP 7 N 0.00 0.73 -0.80 1.44 3.32 -1.62 -1.11 116.42 118.39 3ih9 h ASP 7 Ca 0.02 -0.53 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 3ih9 h ASP 7 Cb 0.21 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3ih9 h ASP 7 CO -0.00 1.32 0.34 0.22 -1.72 0.00 0.00 179.24 179.40 3ih9 h TYR 8 N 0.37 1.20 -0.22 4.55 3.20 0.13 -0.93 116.97 125.27 3ih9 h TYR 8 Ca -0.07 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 3ih9 h TYR 8 Cb 1.50 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3ih9 h TYR 8 CO 0.07 0.89 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.36 3ih9 h LEU 9 N 1.16 0.42 -1.11 2.82 3.38 -1.06 -0.62 115.31 120.29 3ih9 h LEU 9 Ca 0.27 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ih9 h LEU 9 Cb 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3ih9 h LEU 9 CO -0.03 0.69 0.45 0.00 0.09 0.00 0.00 178.44 179.64 3ih9 h ALA 10 N 0.75 1.33 -0.57 1.53 0.00 -1.06 0.22 119.26 121.45 3ih9 h ALA 10 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ih9 h ALA 10 Cb 0.50 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ih9 h ALA 10 CO 0.02 0.57 0.25 1.03 0.00 0.00 0.00 179.25 181.12 3ih9 h SER 11 N 1.08 0.77 -0.67 0.00 0.87 -0.99 -1.91 113.55 112.70 3ih9 h SER 11 Ca 0.28 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3ih9 h SER 11 Cb -0.02 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 3ih9 h SER 11 CO -0.05 0.70 0.12 0.25 -0.53 0.00 0.00 176.83 177.32 3ih9 h LEU 12 N 0.78 1.06 -0.86 2.23 6.46 0.13 -0.72 115.31 124.39 3ih9 h LEU 12 Ca 0.19 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 3ih9 h LEU 12 Cb 0.16 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 3ih9 h LEU 12 CO -0.02 1.04 0.56 0.58 -0.62 0.00 0.00 178.44 179.99 3ih9 h VAL 13 N 1.04 1.19 -0.04 1.05 2.07 -0.24 -0.11 116.25 121.21 3ih9 h VAL 13 Ca 0.21 -0.39 -0.19 0.00 0.82 0.00 0.00 66.70 67.15 3ih9 h VAL 13 Cb 0.43 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3ih9 h VAL 13 CO 0.01 0.21 -0.79 0.74 0.02 0.00 0.00 177.57 177.76 3ih9 h THR 14 N 1.13 1.41 0.20 2.57 2.02 -1.08 0.34 112.91 119.50 3ih9 h THR 14 Ca 0.33 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 3ih9 h THR 14 Cb -0.08 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3ih9 h THR 14 CO -0.09 0.68 -0.10 -0.08 0.37 0.00 0.00 175.52 176.31 3ih9 h GLU 15 N 0.21 -0.26 0.00 6.66 4.81 -0.71 -3.16 114.58 122.14 3ih9 h GLU 15 Ca -0.04 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3ih9 h GLU 15 Cb 1.38 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 3ih9 h GLU 15 CO 0.13 0.14 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.04 3ih9 h LEU 16 N -0.85 0.00 0.00 1.64 3.38 -1.14 -2.55 115.31 115.79 3ih9 h LEU 16 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ih9 h LEU 16 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ih9 h LEU 16 CO 0.04 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.63 3ih9 n GLY 17 N 0.25 -0.74 0.34 0.83 0.00 0.11 -3.00 105.19 102.98 3ih9 n GLY 17 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3ih9 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih9 h ALA 18 N 2.32 1.55 -1.04 4.61 0.00 -1.42 -3.43 119.26 121.87 3ih9 h ALA 18 Ca 0.00 0.09 -0.62 0.00 0.00 0.00 0.00 54.91 54.38 3ih9 h ALA 18 Cb 0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.74 3ih9 h ALA 18 CO 0.00 -0.08 -0.52 0.14 0.00 0.00 0.00 179.25 178.79 3ih9 s VAL 19 N -5.89 0.89 -0.45 0.00 -7.23 -1.16 -5.11 120.40 101.44 3ih9 s VAL 19 Ca -0.11 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.12 3ih9 s VAL 19 Cb 0.24 -2.27 0.30 0.00 0.56 0.00 0.00 36.38 35.21 3ih9 s VAL 19 CO 0.79 0.00 0.97 -3.20 -0.31 0.00 0.00 175.10 173.36 3ih9 n ASN 20 N -1.29 -2.00 -4.70 4.85 2.85 -1.26 -5.01 115.26 108.71 3ih9 n ASN 20 Ca -0.12 -3.45 -0.30 0.00 -0.11 0.00 0.00 54.58 50.59 3ih9 n ASN 20 Cb 0.66 1.47 0.14 0.00 1.24 0.00 0.00 39.78 43.29 3ih9 n ASN 20 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3ih9 s PRO 21 N 0.00 1.29 1.59 1.20 0.04 -1.26 -4.86 135.00 133.00 3ih9 s PRO 21 Ca 0.28 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.53 3ih9 s PRO 21 Cb 0.27 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 33.03 3ih9 s PRO 21 CO -0.11 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.00 3ih9 n GLY 22 N -0.47 -0.62 3.49 0.56 0.00 -1.26 -4.64 105.19 102.25 3ih9 n GLY 22 Ca 0.09 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 3ih9 n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ih9 s GLU 23 N 0.00 1.31 0.91 1.61 -1.05 -1.09 -4.89 118.70 115.50 3ih9 s GLU 23 Ca 0.00 -0.53 -0.12 0.00 -0.15 0.00 0.00 54.97 54.17 3ih9 s GLU 23 Cb 0.00 0.58 0.13 0.00 -0.44 0.00 0.00 34.13 34.40 3ih9 s GLU 23 CO 0.00 -0.58 1.09 0.95 0.95 0.00 0.00 175.26 177.67 3ih9 s THR 24 N -3.72 2.58 -0.04 1.83 -4.23 -1.26 -0.41 115.64 110.38 3ih9 s THR 24 Ca 0.03 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 3ih9 s THR 24 Cb -0.02 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.07 3ih9 s THR 24 CO -0.10 -0.24 1.71 0.00 -0.54 0.00 0.00 174.62 175.44 3ih9 s ALA 25 N -2.96 3.61 -0.21 3.99 0.00 -1.26 -4.84 121.76 120.10 3ih9 s ALA 25 Ca 0.64 1.00 0.18 0.00 0.00 0.00 0.00 51.96 53.78 3ih9 s ALA 25 Cb -0.18 -3.76 0.07 0.00 0.00 0.00 0.00 23.12 19.25 3ih9 s ALA 25 CO 0.57 -1.43 1.31 1.96 0.00 0.00 0.00 175.76 178.17 3ih9 h GLN 26 N 9.72 0.00 0.00 0.00 1.08 -1.91 -1.80 115.11 122.20 3ih9 h GLN 26 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 3ih9 h GLN 26 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3ih9 h GLN 26 CO 0.95 0.32 0.62 0.10 -0.95 0.00 0.00 178.83 179.87 3ih9 h TYR 27 N 0.00 0.00 -3.34 2.96 -0.00 -1.98 -3.40 116.97 111.21 3ih9 h TYR 27 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.55 3ih9 h TYR 27 Cb 1.32 0.00 -0.21 0.00 0.00 0.00 0.00 36.73 37.83 3ih9 h TYR 27 CO 0.00 0.00 -0.43 0.96 -0.00 0.00 0.00 178.16 178.69 3ih9 s ILE 28 N -4.04 0.06 0.31 -0.90 -4.36 -1.26 -5.00 121.20 106.01 3ih9 s ILE 28 Ca -0.02 -0.52 0.01 0.00 -0.26 0.00 0.00 60.65 59.86 3ih9 s ILE 28 Cb 0.05 -0.46 0.17 0.00 1.25 0.00 0.00 42.46 43.47 3ih9 s ILE 28 CO 0.15 -0.29 1.87 1.55 0.24 0.00 0.00 174.94 178.46 3ih9 h PRO 29 N 4.41 0.74 -0.46 0.37 0.13 -1.90 0.14 132.00 135.44 3ih9 h PRO 29 Ca -0.30 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3ih9 h PRO 29 Cb 1.19 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3ih9 h PRO 29 CO 0.40 0.66 0.28 -0.24 -0.23 0.00 0.00 178.00 178.87 3ih9 h VAL 30 N 0.72 1.13 0.01 1.56 3.04 -1.95 0.26 116.25 121.00 3ih9 h VAL 30 Ca 0.16 -0.26 -0.34 0.00 -1.01 0.00 0.00 66.70 65.25 3ih9 h VAL 30 Cb 0.25 0.47 -0.06 0.00 -2.01 0.00 0.00 31.29 29.95 3ih9 h VAL 30 CO -0.00 0.13 -2.10 0.18 -1.01 0.00 0.00 177.57 174.76 3ih9 n LEU 31 N -4.45 0.70 0.22 3.16 4.77 -1.08 -3.57 117.00 116.74 3ih9 n LEU 31 Ca 0.04 0.17 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 3ih9 n LEU 31 Cb 0.07 0.18 0.42 0.00 -2.33 0.00 0.00 43.42 41.76 3ih9 n LEU 31 CO 0.36 0.51 0.79 0.00 -1.33 0.00 0.00 177.39 177.71 3ih9 h ALA 32 N 0.88 0.98 -0.01 -1.18 0.00 0.20 -3.19 119.26 116.95 3ih9 h ALA 32 Ca -0.44 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ih9 h ALA 32 Cb 2.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.88 3ih9 h ALA 32 CO 0.04 0.27 -0.80 0.39 0.00 0.00 0.00 179.25 179.16 3ih9 n GLU 33 N -3.32 0.55 -1.62 0.00 -0.58 0.88 -4.85 120.64 111.70 3ih9 n GLU 33 Ca 0.01 -0.35 -0.37 0.00 -0.42 0.00 0.00 57.16 56.03 3ih9 n GLU 33 Cb 0.45 -1.47 0.06 0.00 -0.57 0.00 0.00 31.44 29.92 3ih9 n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ih9 n ALA 34 N -0.97 0.44 -1.75 0.62 0.00 -1.20 -4.86 120.51 112.79 3ih9 n ALA 34 Ca 0.06 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3ih9 n ALA 34 Cb 0.37 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 3ih9 n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ih9 s ASP 35 N -1.36 6.50 0.19 0.00 2.15 -1.26 -4.85 116.67 118.03 3ih9 s ASP 35 Ca 0.78 2.58 0.26 0.00 0.43 0.00 0.00 52.55 56.60 3ih9 s ASP 35 Cb -0.39 -2.53 0.77 0.00 -0.30 0.00 0.00 42.92 40.47 3ih9 s ASP 35 CO 0.45 -1.03 1.73 -0.81 -0.17 0.00 0.00 175.17 175.34 3ih9 n PRO 36 N 7.44 0.25 -1.75 4.34 -0.04 -1.26 -4.36 135.00 139.62 3ih9 n PRO 36 Ca 0.19 0.19 -0.38 0.00 -0.04 0.00 0.00 63.50 63.46 3ih9 n PRO 36 Cb 0.41 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 3ih9 n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ih9 n ASP 37 N -2.21 8.09 -3.96 3.54 2.03 -1.26 -4.68 116.55 118.11 3ih9 n ASP 37 Ca 0.05 -2.97 -0.10 0.00 0.52 0.00 0.00 54.79 52.30 3ih9 n ASP 37 Cb 0.43 -1.41 -0.11 0.00 -0.72 0.00 0.00 41.12 39.31 3ih9 n ASP 37 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ih9 s ARG 38 N -0.22 0.30 -0.30 -0.67 0.52 -1.26 -5.13 118.95 112.19 3ih9 s ARG 38 Ca 0.59 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 55.19 3ih9 s ARG 38 Cb 0.20 0.11 0.16 0.00 0.52 0.00 0.00 34.95 35.94 3ih9 s ARG 38 CO -0.09 -0.05 0.78 0.12 0.02 0.00 0.00 175.30 176.08 3ih9 s PHE 39 N -1.28 -1.11 0.10 -0.53 5.36 -1.25 -4.40 117.98 114.86 3ih9 s PHE 39 Ca -0.14 1.68 0.02 0.00 -0.96 0.00 0.00 56.93 57.53 3ih9 s PHE 39 Cb -0.09 0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 43.13 3ih9 s PHE 39 CO -0.01 -0.57 -0.07 0.20 -1.46 0.00 0.00 175.22 173.31 3ih9 s GLY 40 N 2.76 0.80 -0.20 13.12 0.00 -0.46 -0.76 107.32 122.57 3ih9 s GLY 40 Ca 0.01 -1.36 -0.19 0.00 0.00 0.00 0.00 44.72 43.18 3ih9 s GLY 40 CO -0.18 -1.46 0.55 -1.50 0.00 0.00 0.00 173.10 170.51 3ih9 s ILE 41 N -3.56 0.00 0.05 0.90 2.07 -0.53 -0.65 121.20 119.48 3ih9 s ILE 41 Ca 0.12 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.34 3ih9 s ILE 41 Cb 0.05 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 3ih9 s ILE 41 CO -0.04 -0.01 -0.02 0.00 -1.91 0.00 0.00 174.94 172.96 3ih9 s ALA 42 N 0.22 0.44 -0.02 1.50 0.00 0.50 -0.63 121.76 123.77 3ih9 s ALA 42 Ca -0.01 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 3ih9 s ALA 42 Cb -0.04 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.37 3ih9 s ALA 42 CO 0.01 -0.35 0.03 -0.51 0.00 0.00 0.00 175.76 174.94 3ih9 s LEU 43 N -2.74 1.16 -0.17 0.00 1.43 0.24 -1.98 118.68 116.61 3ih9 s LEU 43 Ca 0.04 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3ih9 s LEU 43 Cb 0.06 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.24 3ih9 s LEU 43 CO -0.09 -0.12 -0.17 0.00 0.23 0.00 0.00 176.35 176.21 3ih9 s ALA 44 N 0.97 2.43 0.56 4.21 0.00 -0.43 -0.79 121.76 128.71 3ih9 s ALA 44 Ca -0.08 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 3ih9 s ALA 44 Cb -0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3ih9 s ALA 44 CO -0.03 -0.20 0.91 0.95 0.00 0.00 0.00 175.76 177.39 3ih9 s THR 45 N 1.08 4.43 0.48 0.00 -4.23 -0.44 -0.71 115.64 116.25 3ih9 s THR 45 Ca -0.00 0.36 0.14 0.00 -1.18 0.00 0.00 61.69 61.00 3ih9 s THR 45 Cb -0.14 -3.74 0.25 0.00 1.34 0.00 0.00 72.50 70.21 3ih9 s THR 45 CO -0.06 -0.82 2.09 -0.65 -0.54 0.00 0.00 174.62 174.64 3ih9 h PRO 46 N -0.09 0.12 0.00 3.99 0.11 -1.91 -2.94 132.00 131.28 3ih9 h PRO 46 Ca -0.46 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3ih9 h PRO 46 Cb 1.22 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3ih9 h PRO 46 CO 0.62 0.12 -0.57 1.79 -0.21 0.00 0.00 178.00 179.75 3ih9 h THR 47 N 0.12 0.89 0.00 -1.15 1.35 -1.94 -3.40 112.91 108.78 3ih9 h THR 47 Ca 0.03 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 3ih9 h THR 47 Cb 0.06 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3ih9 h THR 47 CO -0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3ih9 n GLY 48 N 1.24 -0.06 3.90 5.82 0.00 -1.11 -4.76 105.19 110.23 3ih9 n GLY 48 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3ih9 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ih9 s ARG 49 N 0.00 3.60 -0.29 1.61 0.52 -1.26 -4.88 118.95 118.25 3ih9 s ARG 49 Ca 0.00 -0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3ih9 s ARG 49 Cb 0.00 -2.84 0.09 0.00 0.52 0.00 0.00 34.95 32.73 3ih9 s ARG 49 CO 0.00 0.44 0.09 -1.17 0.02 0.00 0.00 175.30 174.68 3ih9 s LEU 50 N -2.82 1.85 -0.19 2.53 2.96 -1.26 -1.33 118.68 120.42 3ih9 s LEU 50 Ca 0.41 -1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 3ih9 s LEU 50 Cb -0.12 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 3ih9 s LEU 50 CO 0.26 -0.40 0.22 -1.00 -1.32 0.00 0.00 176.35 174.11 3ih9 s HIS 51 N 1.72 3.42 0.28 5.38 3.76 0.03 -4.93 115.29 124.95 3ih9 s HIS 51 Ca 0.08 0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 55.40 3ih9 s HIS 51 Cb -0.17 -2.28 -0.01 0.00 1.11 0.00 0.00 32.58 31.23 3ih9 s HIS 51 CO -0.24 0.22 0.36 0.00 -0.85 0.00 0.00 174.74 174.23 3ih9 s ALA 53 N -3.64 -1.80 0.00 0.00 0.00 0.20 -4.74 121.76 111.78 3ih9 s ALA 53 Ca 0.32 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3ih9 s ALA 53 Cb 0.02 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3ih9 s ALA 53 CO 0.16 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3ih9 n GLY 54 N 0.33 0.47 1.94 0.00 0.00 -1.26 -1.45 105.19 105.22 3ih9 n GLY 54 Ca -0.13 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 3ih9 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ih9 n ASP 55 N -1.66 3.61 0.00 1.61 8.00 0.06 -4.51 116.55 123.65 3ih9 n ASP 55 Ca 0.00 -2.08 0.06 0.00 0.71 0.00 0.00 54.79 53.49 3ih9 n ASP 55 Cb 0.00 -0.88 0.38 0.00 -0.02 0.00 0.00 41.12 40.60 3ih9 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih9 n ALA 56 N 2.22 2.06 0.08 2.24 0.00 -1.23 -3.05 120.51 122.85 3ih9 n ALA 56 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.57 3ih9 n ALA 56 Cb 0.50 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.82 3ih9 n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ih9 n ASP 57 N -0.91 2.24 -4.70 0.00 8.00 -1.26 -3.04 116.55 116.88 3ih9 n ASP 57 Ca 0.10 -1.70 -0.38 0.00 0.71 0.00 0.00 54.79 53.51 3ih9 n ASP 57 Cb 0.04 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 3ih9 n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ih9 s VAL 58 N -0.86 5.20 0.28 2.53 1.01 -1.17 -5.00 120.40 122.39 3ih9 s VAL 58 Ca 0.14 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 62.67 3ih9 s VAL 58 Cb 0.08 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 3ih9 s VAL 58 CO 0.11 0.29 0.91 -1.61 0.00 0.00 0.00 175.10 174.80 3ih9 s GLU 59 N 0.96 4.61 0.06 2.72 2.02 -1.26 -4.40 118.70 123.41 3ih9 s GLU 59 Ca 0.22 1.31 -0.14 0.00 0.02 0.00 0.00 54.97 56.38 3ih9 s GLU 59 Cb -0.15 -2.95 0.02 0.00 0.10 0.00 0.00 34.13 31.16 3ih9 s GLU 59 CO 0.08 0.37 0.31 -0.59 0.02 0.00 0.00 175.26 175.45 3ih9 s PHE 60 N -1.48 -0.10 0.05 1.61 -0.12 -0.24 -4.93 117.98 112.77 3ih9 s PHE 60 Ca 0.46 -0.08 -0.31 0.00 -0.05 0.00 0.00 56.93 56.96 3ih9 s PHE 60 Cb -0.20 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.23 3ih9 s PHE 60 CO 0.25 -0.54 1.29 0.95 -0.05 0.00 0.00 175.22 177.12 3ih9 s THR 61 N -2.84 3.80 0.51 -4.49 -4.23 -1.26 -1.47 115.64 105.67 3ih9 s THR 61 Ca -0.03 1.27 0.16 0.00 -1.18 0.00 0.00 61.69 61.91 3ih9 s THR 61 Cb 0.00 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.29 3ih9 s THR 61 CO -0.05 0.07 2.14 -0.29 -0.54 0.00 0.00 174.62 175.95 3ih9 h ILE 62 N 4.56 1.01 0.00 2.99 2.10 -1.15 -3.41 117.51 123.61 3ih9 h ILE 62 Ca -0.40 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.47 3ih9 h ILE 62 Cb 1.20 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3ih9 h ILE 62 CO 0.85 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.94 3ih9 n GLN 63 N -4.51 0.00 0.24 2.19 1.13 -0.62 -1.92 117.38 113.89 3ih9 n GLN 63 Ca -0.03 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.21 3ih9 n GLN 63 Cb 0.11 0.00 0.84 0.00 0.11 0.00 0.00 30.24 31.30 3ih9 n GLN 63 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3ih9 h SER 64 N 2.24 0.00 0.04 1.08 0.02 -1.89 -0.52 113.55 114.52 3ih9 h SER 64 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ih9 h SER 64 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ih9 h SER 64 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3ih9 n ALA 65 N -2.15 1.93 0.14 3.77 0.00 -0.81 -1.76 120.51 121.64 3ih9 n ALA 65 Ca 0.01 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3ih9 n ALA 65 Cb 0.40 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3ih9 n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ih9 n SER 66 N -1.05 0.79 -0.32 0.00 3.41 -0.20 -4.43 113.62 111.82 3ih9 n SER 66 Ca 0.09 0.28 0.17 0.00 -0.26 0.00 0.00 58.87 59.15 3ih9 n SER 66 Cb 0.05 0.52 0.41 0.00 -0.26 0.00 0.00 64.21 64.94 3ih9 n SER 66 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ih9 h LYS 67 N 0.00 0.57 0.00 4.33 1.57 -1.54 -1.69 116.57 119.81 3ih9 h LYS 67 Ca 0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3ih9 h LYS 67 Cb 0.98 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3ih9 h LYS 67 CO 0.00 0.37 -0.24 -1.00 -0.57 0.00 0.00 179.45 178.02 3ih9 h PRO 68 N 0.58 0.00 0.12 3.15 0.13 -1.81 -2.61 132.00 131.56 3ih9 h PRO 68 Ca 0.57 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.45 3ih9 h PRO 68 Cb 1.14 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.30 3ih9 h PRO 68 CO -0.33 0.24 -1.05 0.74 -0.23 0.00 0.00 178.00 177.37 3ih9 h PHE 69 N 0.00 0.83 -0.19 1.56 0.05 -1.61 -1.39 116.94 116.19 3ih9 h PHE 69 Ca -0.00 -0.54 -0.11 0.00 3.82 0.00 0.00 57.97 61.15 3ih9 h PHE 69 Cb 0.97 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.85 3ih9 h PHE 69 CO 0.00 1.39 -0.34 1.79 -0.18 0.00 0.00 178.31 180.97 3ih9 h THR 70 N 0.03 1.29 -0.49 -1.55 1.35 -1.52 0.66 112.91 112.68 3ih9 h THR 70 Ca -0.17 -1.41 -0.07 0.00 -0.55 0.00 0.00 66.41 64.21 3ih9 h THR 70 Cb 1.77 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.68 3ih9 h THR 70 CO 0.20 0.44 0.01 0.22 -0.25 0.00 0.00 175.52 176.13 3ih9 h TYR 71 N 0.35 0.86 -0.31 4.73 3.20 -1.46 0.18 116.97 124.52 3ih9 h TYR 71 Ca 0.04 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 3ih9 h TYR 71 Cb 0.77 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3ih9 h TYR 71 CO 0.02 0.79 -0.19 0.00 -1.64 0.00 0.00 178.16 177.14 3ih9 h ALA 72 N 1.25 0.44 -0.24 1.82 0.00 -0.67 -1.54 119.26 120.32 3ih9 h ALA 72 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ih9 h ALA 72 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ih9 h ALA 72 CO 0.02 0.37 0.12 0.00 0.00 0.00 0.00 179.25 179.76 3ih9 h ALA 73 N 0.75 0.31 -0.92 0.00 0.00 -0.36 -2.22 119.26 116.82 3ih9 h ALA 73 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ih9 h ALA 73 Cb 0.73 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3ih9 h ALA 73 CO 0.05 -0.13 0.59 0.00 0.00 0.00 0.00 179.25 179.77 3ih9 h ALA 74 N 0.98 1.16 -0.31 0.00 0.00 -0.60 0.78 119.26 121.27 3ih9 h ALA 74 Ca 0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ih9 h ALA 74 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3ih9 h ALA 74 CO -0.01 0.58 -0.17 -0.07 0.00 0.00 0.00 179.25 179.58 3ih9 h LEU 75 N 1.25 0.54 -0.06 0.00 3.38 -1.09 -0.65 115.31 118.66 3ih9 h LEU 75 Ca 0.33 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.89 3ih9 h LEU 75 Cb -0.12 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.50 3ih9 h LEU 75 CO -0.07 0.73 -1.01 0.58 0.09 0.00 0.00 178.44 178.76 3ih9 h VAL 76 N 0.50 1.32 0.00 1.22 2.07 -0.89 0.52 116.25 120.99 3ih9 h VAL 76 Ca 0.08 -2.32 -0.13 0.00 0.82 0.00 0.00 66.70 65.15 3ih9 h VAL 76 Cb 0.58 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3ih9 h VAL 76 CO 0.04 0.71 -0.61 0.44 0.02 0.00 0.00 177.57 178.17 3ih9 h ASP 77 N 0.33 0.00 0.00 0.57 3.32 -0.66 -3.38 116.42 116.61 3ih9 h ASP 77 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3ih9 h ASP 77 Cb 1.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 3ih9 h ASP 77 CO 0.19 0.61 -1.03 0.54 -1.72 0.00 0.00 179.24 177.83 3ih9 n ARG 78 N -3.49 0.47 0.00 3.56 5.12 -0.27 -4.92 116.66 117.14 3ih9 n ARG 78 Ca 0.00 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3ih9 n ARG 78 Cb 0.69 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 3ih9 n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ih9 n GLY 79 N 2.53 -0.43 0.44 -0.13 0.00 0.17 -4.38 105.19 103.39 3ih9 n GLY 79 Ca -0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 3ih9 n GLY 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ih9 h PHE 80 N 0.00 -1.50 -0.91 1.61 -1.00 -1.92 -2.76 116.94 110.46 3ih9 h PHE 80 Ca 0.00 0.07 0.17 0.00 2.81 0.00 0.00 57.97 61.02 3ih9 h PHE 80 Cb 0.00 0.70 -0.17 0.00 3.61 0.00 0.00 35.95 40.09 3ih9 h PHE 80 CO 0.00 -0.50 -0.26 0.00 -1.61 0.00 0.00 178.31 175.94 3ih9 h ALA 81 N 0.02 0.49 -0.19 2.45 0.00 -1.96 0.38 119.26 120.45 3ih9 h ALA 81 Ca 0.08 0.33 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 3ih9 h ALA 81 Cb 0.63 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3ih9 h ALA 81 CO -0.52 -0.45 -0.18 0.00 0.00 0.00 0.00 179.25 178.10 3ih9 h ALA 82 N 1.77 1.34 0.20 0.00 0.00 -1.69 -2.86 119.26 118.01 3ih9 h ALA 82 Ca 0.41 -0.27 -0.34 0.00 0.00 0.00 0.00 54.91 54.72 3ih9 h ALA 82 Cb 0.65 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ih9 h ALA 82 CO -0.93 0.45 -1.61 0.28 0.00 0.00 0.00 179.25 177.43 3ih9 h VAL 83 N 0.30 1.07 0.00 0.00 2.07 -0.64 -3.32 116.25 115.73 3ih9 h VAL 83 Ca 0.06 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 65.00 3ih9 h VAL 83 Cb 0.50 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3ih9 h VAL 83 CO 0.03 0.83 -0.04 0.44 0.02 0.00 0.00 177.57 178.85 3ih9 h ASP 84 N 0.08 0.00 0.74 0.57 3.32 -0.37 0.16 116.42 120.91 3ih9 h ASP 84 Ca -0.31 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 3ih9 h ASP 84 Cb 2.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.63 3ih9 h ASP 84 CO 0.20 0.04 -0.19 -0.09 -1.72 0.00 0.00 179.24 177.48 3ih9 h ARG 85 N 0.00 0.00 0.00 3.56 2.43 -1.60 -3.25 114.38 115.53 3ih9 h ARG 85 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ih9 h ARG 85 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3ih9 h ARG 85 CO 0.00 0.19 -0.99 1.04 -1.51 0.00 0.00 179.97 178.70 3ih9 n GLN 86 N -3.45 1.88 -3.78 0.20 1.13 -0.09 -4.79 117.38 108.47 3ih9 n GLN 86 Ca -0.01 -0.05 -0.25 0.00 -1.94 0.00 0.00 57.00 54.76 3ih9 n GLN 86 Cb 0.36 -1.08 -0.17 0.00 0.11 0.00 0.00 30.24 29.46 3ih9 n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3ih9 s VAL 87 N -2.27 0.54 0.02 5.09 1.01 0.38 -3.83 120.40 121.34 3ih9 s VAL 87 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 3ih9 s VAL 87 Cb 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3ih9 s VAL 87 CO 0.35 0.11 0.02 0.61 0.00 0.00 0.00 175.10 176.19 3ih9 n GLY 88 N 5.08 -1.97 0.66 4.51 0.00 -0.05 -4.37 105.19 109.04 3ih9 n GLY 88 Ca -0.09 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.45 3ih9 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ih9 n LEU 89 N 0.00 1.19 -4.73 0.99 4.77 -0.09 -3.99 117.00 115.13 3ih9 n LEU 89 Ca 0.00 -2.16 -0.35 0.00 -0.03 0.00 0.00 56.01 53.47 3ih9 n LEU 89 Cb 0.01 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 3ih9 n LEU 89 CO 0.01 0.59 -0.14 0.20 -1.33 0.00 0.00 177.39 176.71 3ih9 s ASN 90 N -2.01 6.26 0.65 -1.43 0.01 -0.32 -4.96 114.94 113.14 3ih9 s ASN 90 Ca 0.21 0.29 -0.18 0.00 -0.71 0.00 0.00 52.86 52.48 3ih9 s ASN 90 Cb 0.21 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 3ih9 s ASN 90 CO -0.04 0.16 1.30 -2.16 -1.51 0.00 0.00 177.10 174.85 3ih9 s PRO 91 N 0.37 2.53 0.12 -0.60 0.04 -1.26 -3.91 135.00 132.29 3ih9 s PRO 91 Ca 0.10 2.07 -0.25 0.00 0.04 0.00 0.00 61.00 62.96 3ih9 s PRO 91 Cb -0.11 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.66 3ih9 s PRO 91 CO -0.01 -1.62 0.74 0.45 0.04 0.00 0.00 177.00 176.61 3ih9 s SER 92 N -1.39 -0.43 0.48 6.66 0.15 -1.26 -5.00 113.70 112.90 3ih9 s SER 92 Ca 0.83 -0.12 -0.07 0.00 0.70 0.00 0.00 55.95 57.30 3ih9 s SER 92 Cb -0.38 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 3ih9 s SER 92 CO 0.40 -0.90 0.80 -0.83 1.20 0.00 0.00 173.24 173.91 3ih9 s GLY 93 N -2.71 1.59 0.24 9.45 0.00 -1.26 -3.90 107.32 110.73 3ih9 s GLY 93 Ca 0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 44.72 44.29 3ih9 s GLY 93 CO -0.08 -0.25 1.81 -2.09 0.00 0.00 0.00 173.10 172.50 3ih9 h GLU 94 N 0.37 1.06 -6.20 2.90 4.22 -2.00 -3.42 114.58 111.52 3ih9 h GLU 94 Ca -0.47 -0.19 -0.72 0.00 0.08 0.00 0.00 59.36 58.07 3ih9 h GLU 94 Cb 1.20 -0.17 0.04 0.00 0.50 0.00 0.00 28.75 30.32 3ih9 h GLU 94 CO 0.62 0.87 0.58 0.00 -2.18 0.00 0.00 179.01 178.90 3ih9 n ALA 95 N -2.44 -0.94 -2.29 2.92 0.00 -1.26 -4.88 120.51 111.61 3ih9 n ALA 95 Ca 0.06 0.48 -0.39 0.00 0.00 0.00 0.00 53.44 53.59 3ih9 n ALA 95 Cb 0.19 -2.09 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 3ih9 n ALA 95 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ih9 s PHE 96 N 1.55 3.78 -0.11 0.00 5.36 -1.26 -5.08 117.98 122.23 3ih9 s PHE 96 Ca 0.90 1.37 0.01 0.00 -0.96 0.00 0.00 56.93 58.25 3ih9 s PHE 96 Cb -1.04 -2.65 0.02 0.00 -0.34 0.00 0.00 43.02 39.01 3ih9 s PHE 96 CO 0.55 0.45 -0.11 1.21 -1.46 0.00 0.00 175.22 175.86 3ih9 s ASN 97 N -0.67 2.19 0.40 6.13 3.84 -1.26 -5.02 114.94 120.54 3ih9 s ASN 97 Ca 0.33 -0.35 0.07 0.00 0.21 0.00 0.00 52.86 53.12 3ih9 s ASN 97 Cb -0.20 -0.92 0.82 0.00 -0.55 0.00 0.00 41.25 40.40 3ih9 s ASN 97 CO 0.21 -0.05 2.04 -0.08 -2.79 0.00 0.00 177.10 176.43 3ih9 h GLU 98 N 7.74 0.59 -0.24 0.43 4.81 -2.02 -1.79 114.58 124.10 3ih9 h GLU 98 Ca -0.32 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 3ih9 h GLU 98 Cb 1.15 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3ih9 h GLU 98 CO 0.45 0.39 0.26 -0.07 -0.73 0.00 0.00 179.01 179.32 3ih9 h LEU 99 N 0.61 0.00 -2.17 1.64 3.38 -2.00 0.13 115.31 116.90 3ih9 h LEU 99 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ih9 h LEU 99 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ih9 h LEU 99 CO -0.04 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.26 3ih9 h SER 100 N 0.00 0.00 -0.02 -0.43 4.64 -1.70 -2.68 113.55 113.36 3ih9 h SER 100 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3ih9 h SER 100 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3ih9 h SER 100 CO -0.00 0.00 -0.29 0.18 -0.87 0.00 0.00 176.83 175.85 3ih9 n LEU 101 N -3.05 2.31 0.08 5.97 4.77 0.46 -4.27 117.00 123.27 3ih9 n LEU 101 Ca -0.01 -0.85 0.01 0.00 -0.03 0.00 0.00 56.01 55.13 3ih9 n LEU 101 Cb 0.19 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3ih9 n LEU 101 CO 0.23 0.41 0.08 -0.33 -1.33 0.00 0.00 177.39 176.46 3ih9 h GLU 102 N 3.11 0.00 -6.94 3.23 5.08 -1.44 -3.34 114.58 114.28 3ih9 h GLU 102 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3ih9 h GLU 102 Cb 0.80 0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.26 3ih9 h GLU 102 CO 0.00 0.39 -0.26 0.00 -1.00 0.00 0.00 179.01 178.15 3ih9 n ALA 103 N -2.31 -1.76 0.22 3.43 0.00 -1.23 -4.70 120.51 114.16 3ih9 n ALA 103 Ca -0.04 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 52.90 3ih9 n ALA 103 Cb 0.78 -1.95 0.11 0.00 0.00 0.00 0.00 19.45 18.39 3ih9 n ALA 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ih9 n GLU 104 N -2.41 0.09 0.11 0.00 4.71 -1.26 -0.32 120.64 121.56 3ih9 n GLU 104 Ca 0.09 0.14 -0.01 0.00 -0.01 0.00 0.00 57.16 57.37 3ih9 n GLU 104 Cb 0.52 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.47 3ih9 n GLU 104 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3ih9 h SER 105 N 0.00 0.00 -7.11 1.62 0.02 -1.90 -3.48 113.55 102.71 3ih9 h SER 105 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 3ih9 h SER 105 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3ih9 h SER 105 CO 0.00 0.69 -0.61 1.41 -1.14 0.00 0.00 176.83 177.18 3ih9 n HIS 106 N -3.35 -0.81 -3.53 3.45 8.25 0.56 -4.93 115.22 114.87 3ih9 n HIS 106 Ca 0.01 0.05 -0.15 0.00 -0.26 0.00 0.00 57.72 57.36 3ih9 n HIS 106 Cb 0.78 -1.65 -0.05 0.00 1.12 0.00 0.00 29.99 30.19 3ih9 n HIS 106 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ih9 s ARG 107 N -6.45 0.93 0.61 -0.41 1.70 -1.26 -4.85 118.95 109.21 3ih9 s ARG 107 Ca 0.28 0.18 -0.19 0.00 -0.47 0.00 0.00 55.73 55.53 3ih9 s ARG 107 Cb -0.16 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 3ih9 s ARG 107 CO 0.59 -0.30 1.28 -1.25 -1.08 0.00 0.00 175.30 174.54 3ih9 s PRO 108 N -1.33 2.79 0.17 3.89 0.04 -1.25 -4.52 135.00 134.79 3ih9 s PRO 108 Ca -0.07 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 3ih9 s PRO 108 Cb -0.00 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.67 3ih9 s PRO 108 CO 0.06 -1.40 1.63 -0.44 0.04 0.00 0.00 177.00 176.88 3ih9 h ASP 109 N 0.84 -0.74 -5.18 6.66 3.32 -1.87 -0.10 116.42 119.35 3ih9 h ASP 109 Ca -0.51 0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 3ih9 h ASP 109 Cb 1.32 0.38 -0.04 0.00 0.22 0.00 0.00 39.33 41.21 3ih9 h ASP 109 CO 0.55 -0.25 0.08 0.54 -1.72 0.00 0.00 179.24 178.44 3ih9 s ASN 110 N -5.12 0.21 0.00 6.45 4.22 -1.25 -0.91 114.94 118.54 3ih9 s ASN 110 Ca -0.14 -1.14 0.29 0.00 -2.14 0.00 0.00 52.86 49.73 3ih9 s ASN 110 Cb 0.14 0.74 1.44 0.00 1.28 0.00 0.00 41.25 44.86 3ih9 s ASN 110 CO 0.70 -1.45 1.96 0.00 -2.04 0.00 0.00 177.10 176.26 3ih9 n ALA 111 N -0.51 2.63 0.35 3.54 0.00 -1.26 -3.60 120.51 121.65 3ih9 n ALA 111 Ca -0.04 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.20 3ih9 n ALA 111 Cb 0.61 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.74 3ih9 n ALA 111 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ih9 n MET 112 N -0.42 0.44 -3.42 0.00 2.81 -1.26 -4.06 117.12 111.20 3ih9 n MET 112 Ca 0.21 0.04 -0.28 0.00 -1.81 0.00 0.00 57.70 55.86 3ih9 n MET 112 Cb 0.22 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 3ih9 n MET 112 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3ih9 s ILE 113 N -3.28 5.07 0.18 2.02 -4.36 -1.25 -4.93 121.20 114.65 3ih9 s ILE 113 Ca 0.02 -0.10 -0.18 0.00 -0.26 0.00 0.00 60.65 60.13 3ih9 s ILE 113 Cb 0.12 -3.75 0.13 0.00 1.25 0.00 0.00 42.46 40.22 3ih9 s ILE 113 CO 0.79 -0.32 1.63 0.78 0.24 0.00 0.00 174.94 178.06 3ih9 h ASN 114 N 1.63 -0.68 -0.80 4.36 4.21 -1.90 -0.73 115.58 121.67 3ih9 h ASN 114 Ca -0.48 0.17 0.13 0.00 1.21 0.00 0.00 56.30 57.33 3ih9 h ASN 114 Cb 1.19 0.38 -0.09 0.00 -1.12 0.00 0.00 38.32 38.69 3ih9 h ASN 114 CO 0.66 -0.23 0.39 0.00 -1.29 0.00 0.00 177.43 176.96 3ih9 h ALA 115 N 1.24 1.16 0.00 -0.83 0.00 -1.94 0.89 119.26 119.79 3ih9 h ALA 115 Ca 0.22 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3ih9 h ALA 115 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ih9 h ALA 115 CO -0.53 -0.09 -0.34 0.78 0.00 0.00 0.00 179.25 179.06 3ih9 h GLY 116 N 0.59 0.00 0.80 0.00 0.00 -1.41 -2.37 103.07 100.68 3ih9 h GLY 116 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.63 3ih9 h GLY 116 CO -0.34 0.00 -0.43 0.00 0.00 0.00 0.00 176.54 175.77 3ih9 h ALA 117 N 1.66 0.17 -0.75 3.60 0.00 0.46 -1.68 119.26 122.73 3ih9 h ALA 117 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3ih9 h ALA 117 Cb 0.96 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3ih9 h ALA 117 CO 0.04 0.30 0.49 -0.07 0.00 0.00 0.00 179.25 180.01 3ih9 h LEU 118 N 0.01 0.82 -0.27 0.00 3.38 -0.86 0.21 115.31 118.59 3ih9 h LEU 118 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3ih9 h LEU 118 Cb 1.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3ih9 h LEU 118 CO 0.09 0.58 0.13 0.00 0.09 0.00 0.00 178.44 179.33 3ih9 h ALA 119 N 1.30 0.35 -1.00 1.53 0.00 -1.42 -2.49 119.26 117.53 3ih9 h ALA 119 Ca 0.29 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3ih9 h ALA 119 Cb -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3ih9 h ALA 119 CO -0.09 -0.08 0.65 0.28 0.00 0.00 0.00 179.25 180.01 3ih9 h VAL 120 N 0.30 1.11 -0.57 0.00 2.07 -0.55 -1.87 116.25 116.75 3ih9 h VAL 120 Ca 0.09 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 3ih9 h VAL 120 Cb 0.13 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 3ih9 h VAL 120 CO -0.01 0.22 0.09 -0.74 0.02 0.00 0.00 177.57 177.15 3ih9 h HIS 121 N 1.20 0.96 -0.69 1.57 6.17 -0.66 -2.35 115.15 121.35 3ih9 h HIS 121 Ca 0.42 -0.12 0.08 0.00 0.71 0.00 0.00 60.37 61.46 3ih9 h HIS 121 Cb 0.12 -0.27 -0.04 0.00 2.52 0.00 0.00 27.41 29.74 3ih9 h HIS 121 CO -0.00 0.82 0.45 0.37 0.71 0.00 0.00 177.93 180.29 3ih9 h GLN 122 N 0.86 0.63 -0.00 5.26 5.75 -0.91 -1.96 115.11 124.75 3ih9 h GLN 122 Ca 0.18 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3ih9 h GLN 122 Cb 0.39 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3ih9 h GLN 122 CO 0.01 0.42 -0.21 1.28 -2.65 0.00 0.00 178.83 177.67 3ih9 n LEU 123 N -4.48 0.24 -0.30 -2.39 4.77 -0.91 -4.65 117.00 109.28 3ih9 n LEU 123 Ca 0.11 0.26 0.30 0.00 -0.03 0.00 0.00 56.01 56.65 3ih9 n LEU 123 Cb 0.27 -0.37 0.56 0.00 -2.33 0.00 0.00 43.42 41.55 3ih9 n LEU 123 CO 0.33 0.06 1.00 0.18 -1.33 0.00 0.00 177.39 177.63 3ih9 n LEU 124 N -1.46 0.33 0.00 2.23 4.77 -0.74 -3.84 117.00 118.29 3ih9 n LEU 124 Ca 0.07 1.56 0.00 0.00 -0.03 0.00 0.00 56.01 57.61 3ih9 n LEU 124 Cb 0.33 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3ih9 n LEU 124 CO 0.30 -1.75 -0.46 0.52 -1.33 0.00 0.00 177.39 174.67 3ih9 n VAL 125 N -5.12 0.00 0.00 4.08 0.31 -1.26 -4.65 118.33 111.68 3ih9 n VAL 125 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 3ih9 n VAL 125 Cb 1.22 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 3ih9 n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ih9 n GLY 126 N 3.27 -0.05 0.13 2.92 0.00 -1.25 -4.89 105.19 105.32 3ih9 n GLY 126 Ca 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 3ih9 n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ih9 h PRO 127 N 0.00 -0.04 -0.75 1.61 0.11 -1.91 -2.85 132.00 128.17 3ih9 h PRO 127 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3ih9 h PRO 127 Cb 0.00 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 3ih9 h PRO 127 CO 0.00 -0.03 0.09 0.39 -0.21 0.00 0.00 178.00 178.24 3ih9 n GLU 128 N -5.24 3.52 -2.11 1.05 4.71 -1.26 -4.95 120.64 116.37 3ih9 n GLU 128 Ca -0.02 -2.29 -0.40 0.00 -0.01 0.00 0.00 57.16 54.44 3ih9 n GLU 128 Cb 0.16 -2.03 -0.01 0.00 -1.01 0.00 0.00 31.44 28.55 3ih9 n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ih9 s ALA 129 N -2.32 3.33 0.55 0.62 0.00 -1.08 -5.00 121.76 117.87 3ih9 s ALA 129 Ca 0.40 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 3ih9 s ALA 129 Cb 0.31 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3ih9 s ALA 129 CO 0.11 -0.72 0.93 -1.54 0.00 0.00 0.00 175.76 174.54 3ih9 s SER 130 N -0.69 6.31 0.19 0.00 1.04 -1.26 -4.91 113.70 114.38 3ih9 s SER 130 Ca 0.54 1.26 -0.15 0.00 0.48 0.00 0.00 55.95 58.08 3ih9 s SER 130 Cb -0.38 -2.39 0.17 0.00 0.10 0.00 0.00 66.02 63.52 3ih9 s SER 130 CO 0.49 -0.71 1.64 -0.09 0.98 0.00 0.00 173.24 175.56 3ih9 h ARG 131 N 0.11 -0.00 -0.11 4.02 2.43 -1.98 -0.10 114.38 118.75 3ih9 h ARG 131 Ca -0.45 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 3ih9 h ARG 131 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3ih9 h ARG 131 CO 0.62 -0.00 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.68 3ih9 h LYS 132 N -0.00 0.18 -0.36 0.20 1.63 -2.00 -2.43 116.57 113.79 3ih9 h LYS 132 Ca 0.25 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.88 3ih9 h LYS 132 Cb 0.39 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3ih9 h LYS 132 CO -0.54 0.36 -0.29 0.93 -3.45 0.00 0.00 179.45 176.46 3ih9 h GLU 133 N 0.17 0.77 -0.05 1.90 5.08 -1.41 -2.12 114.58 118.93 3ih9 h GLU 133 Ca 0.03 -0.35 -0.20 0.00 -1.00 0.00 0.00 59.36 57.85 3ih9 h GLU 133 Cb 0.41 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3ih9 h GLU 133 CO 0.03 0.97 -0.81 0.00 -1.00 0.00 0.00 179.01 178.20 3ih9 h ARG 134 N 0.66 0.39 -0.17 2.33 3.08 -1.08 -1.53 114.38 118.06 3ih9 h ARG 134 Ca 0.08 -0.36 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 3ih9 h ARG 134 Cb 0.82 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3ih9 h ARG 134 CO 0.07 1.01 -0.42 1.25 -1.07 0.00 0.00 179.97 180.81 3ih9 h LEU 135 N 0.25 0.43 -0.50 3.04 7.12 -1.41 -1.01 115.31 123.23 3ih9 h LEU 135 Ca -0.05 -0.19 -0.15 0.00 0.13 0.00 0.00 57.88 57.62 3ih9 h LEU 135 Cb 1.41 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 3ih9 h LEU 135 CO 0.14 0.80 -0.42 0.44 -0.13 0.00 0.00 178.44 179.28 3ih9 h ASP 136 N 0.34 0.82 -0.05 1.25 3.32 -1.31 -1.70 116.42 119.09 3ih9 h ASP 136 Ca 0.03 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 3ih9 h ASP 136 Cb 0.88 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ih9 h ASP 136 CO 0.07 1.13 -0.27 -0.09 -1.72 0.00 0.00 179.24 178.36 3ih9 h ARG 137 N 0.62 0.48 -0.28 3.56 9.65 -1.00 0.16 114.38 127.57 3ih9 h ARG 137 Ca 0.05 -0.19 -0.10 0.00 -1.10 0.00 0.00 59.98 58.64 3ih9 h ARG 137 Cb 0.97 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 3ih9 h ARG 137 CO 0.09 0.71 -0.22 0.00 2.80 0.00 0.00 179.97 183.35 3ih9 h ALA 138 N 1.29 0.41 0.00 2.80 0.00 -1.02 -1.67 119.26 121.06 3ih9 h ALA 138 Ca 0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3ih9 h ALA 138 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ih9 h ALA 138 CO 0.05 0.36 -0.42 0.28 0.00 0.00 0.00 179.25 179.52 3ih9 h VAL 139 N 0.39 1.09 -0.01 0.00 2.07 -1.05 -3.14 116.25 115.59 3ih9 h VAL 139 Ca 0.05 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.93 3ih9 h VAL 139 Cb 0.77 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3ih9 h VAL 139 CO 0.06 0.42 -0.27 -0.08 0.02 0.00 0.00 177.57 177.71 3ih9 h GLU 140 N 0.00 0.20 -0.85 1.57 4.81 -0.52 -2.16 114.58 117.63 3ih9 h GLU 140 Ca -0.00 -0.20 0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3ih9 h GLU 140 Cb 0.87 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.25 3ih9 h GLU 140 CO 0.06 0.92 0.55 0.97 -0.73 0.00 0.00 179.01 180.78 3ih9 h ILE 141 N -0.45 0.97 -0.01 2.32 6.09 -1.34 0.10 117.51 125.20 3ih9 h ILE 141 Ca -0.03 -0.29 -0.19 0.00 -1.37 0.00 0.00 64.86 62.98 3ih9 h ILE 141 Cb 1.01 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.35 3ih9 h ILE 141 CO 0.05 0.15 -0.83 0.24 -3.07 0.00 0.00 178.15 174.70 3ih9 h MET 142 N 0.84 0.24 -0.39 2.19 2.86 -1.59 -3.01 114.93 116.07 3ih9 h MET 142 Ca 0.39 -0.24 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 3ih9 h MET 142 Cb 0.39 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3ih9 h MET 142 CO -0.16 0.94 -0.26 0.77 1.06 0.00 0.00 176.91 179.26 3ih9 h SER 143 N 0.14 0.91 -0.47 1.22 0.02 -0.53 -0.32 113.55 114.52 3ih9 h SER 143 Ca -0.04 -0.43 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 3ih9 h SER 143 Cb 1.43 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 3ih9 h SER 143 CO 0.13 1.15 0.06 -0.07 -1.14 0.00 0.00 176.83 176.95 3ih9 h LEU 144 N 0.69 0.81 0.17 5.07 3.38 -0.87 0.67 115.31 125.22 3ih9 h LEU 144 Ca 0.08 -0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.57 3ih9 h LEU 144 Cb 0.84 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3ih9 h LEU 144 CO 0.07 0.84 -1.32 -0.07 0.09 0.00 0.00 178.44 178.06 3ih9 h LEU 145 N 0.80 0.55 -1.43 1.67 3.38 -1.46 -3.15 115.31 115.66 3ih9 h LEU 145 Ca 0.16 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3ih9 h LEU 145 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ih9 h LEU 145 CO 0.01 1.46 0.00 0.00 0.09 0.00 0.00 178.44 180.00 3ih9 h ALA 146 N 0.46 1.00 0.00 1.53 0.00 -0.90 -3.36 119.26 117.98 3ih9 h ALA 146 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ih9 h ALA 146 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3ih9 h ALA 146 CO 0.23 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3ih9 n GLY 147 N -0.01 0.85 3.29 0.00 0.00 0.18 -4.91 105.19 104.59 3ih9 n GLY 147 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ih9 n GLY 147 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ih9 s ARG 148 N -0.08 1.04 -0.09 1.61 1.70 -0.94 -5.00 118.95 117.19 3ih9 s ARG 148 Ca 0.00 -1.04 -0.30 0.00 -0.47 0.00 0.00 55.73 53.93 3ih9 s ARG 148 Cb 0.00 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 3ih9 s ARG 148 CO 0.00 -0.37 1.36 1.03 -1.08 0.00 0.00 175.30 176.24 3ih9 s ARG 149 N -3.91 4.25 0.14 3.89 0.52 -1.26 -4.41 118.95 118.17 3ih9 s ARG 149 Ca 0.11 1.83 -0.02 0.00 -0.52 0.00 0.00 55.73 57.13 3ih9 s ARG 149 Cb 0.04 -3.74 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 3ih9 s ARG 149 CO -0.05 -0.67 0.34 -0.51 0.02 0.00 0.00 175.30 174.42 3ih9 s LEU 150 N 3.20 4.28 0.25 2.53 1.43 -1.26 -5.08 118.68 124.03 3ih9 s LEU 150 Ca 0.60 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.24 3ih9 s LEU 150 Cb -0.26 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 3ih9 s LEU 150 CO 0.21 0.05 -0.12 -0.44 0.23 0.00 0.00 176.35 176.28 3ih9 s SER 151 N -2.73 4.03 -0.26 2.29 0.01 -1.26 -4.96 113.70 110.82 3ih9 s SER 151 Ca 0.38 -0.80 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 3ih9 s SER 151 Cb -0.12 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 3ih9 s SER 151 CO 0.27 0.04 0.27 -0.69 0.41 0.00 0.00 173.24 173.55 3ih9 s VAL 152 N -2.23 5.26 -0.90 3.43 1.01 -1.26 0.50 120.40 126.20 3ih9 s VAL 152 Ca 0.29 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 3ih9 s VAL 152 Cb -0.06 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.75 3ih9 s VAL 152 CO 0.16 0.24 1.40 -0.62 0.00 0.00 0.00 175.10 176.28 3ih9 s ASP 153 N 1.48 6.32 0.58 3.32 -1.08 0.12 -4.82 116.67 122.59 3ih9 s ASP 153 Ca 0.11 -1.01 0.34 0.00 -0.52 0.00 0.00 52.55 51.47 3ih9 s ASP 153 Cb -0.15 -2.57 1.82 0.00 -1.46 0.00 0.00 42.92 40.56 3ih9 s ASP 153 CO 0.09 -1.68 2.20 -0.50 0.52 0.00 0.00 175.17 175.79 3ih9 h TRP 154 N 10.00 0.00 -0.59 -5.34 4.06 -1.95 -1.29 115.95 120.84 3ih9 h TRP 154 Ca -0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3ih9 h TRP 154 Cb 1.03 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 3ih9 h TRP 154 CO 1.22 0.04 0.18 1.49 -3.56 0.00 0.00 178.44 177.80 3ih9 h GLU 155 N 0.00 0.93 -0.37 0.49 4.81 -1.98 0.14 114.58 118.60 3ih9 h GLU 155 Ca -0.00 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 3ih9 h GLU 155 Cb 0.17 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3ih9 h GLU 155 CO 0.01 0.84 -0.21 1.15 -0.73 0.00 0.00 179.01 180.06 3ih9 h THR 156 N 0.85 1.28 0.78 0.32 2.02 -1.68 -2.78 112.91 113.71 3ih9 h THR 156 Ca 0.19 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 3ih9 h THR 156 Cb 0.30 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3ih9 h THR 156 CO -0.00 0.45 -0.49 0.22 0.37 0.00 0.00 175.52 176.06 3ih9 h TYR 157 N 0.60 -1.32 -0.53 3.16 3.20 -0.93 0.58 116.97 121.72 3ih9 h TYR 157 Ca 0.08 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.04 3ih9 h TYR 157 Cb 0.77 0.47 -0.08 0.00 1.54 0.00 0.00 36.73 39.43 3ih9 h TYR 157 CO 0.06 -0.73 0.07 0.93 -1.64 0.00 0.00 178.16 176.85 3ih9 h GLU 158 N -1.20 0.19 -0.73 1.82 5.08 -1.06 0.15 114.58 118.83 3ih9 h GLU 158 Ca -0.11 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3ih9 h GLU 158 Cb 0.96 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 3ih9 h GLU 158 CO 0.10 0.13 0.41 1.03 -1.00 0.00 0.00 179.01 179.68 3ih9 h SER 159 N 0.20 0.61 -0.38 1.42 0.87 -1.33 -2.28 113.55 112.66 3ih9 h SER 159 Ca 0.27 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.75 3ih9 h SER 159 Cb 0.40 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3ih9 h SER 159 CO -0.39 0.38 -0.22 -0.08 -0.53 0.00 0.00 176.83 175.99 3ih9 h GLU 160 N 0.74 0.82 0.00 2.24 4.57 0.06 -3.00 114.58 120.02 3ih9 h GLU 160 Ca 0.33 -0.38 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3ih9 h GLU 160 Cb 0.23 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3ih9 h GLU 160 CO -0.20 1.01 -0.01 0.52 -1.18 0.00 0.00 179.01 179.15 3ih9 h MET 161 N 0.62 0.00 0.00 1.92 2.86 -0.18 -0.28 114.93 119.87 3ih9 h MET 161 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3ih9 h MET 161 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3ih9 h MET 161 CO 0.06 0.01 0.00 0.00 1.06 0.00 0.00 176.91 178.04 3ih9 n ALA 162 N -2.21 2.20 -2.86 6.32 0.00 -0.98 -3.91 120.51 119.08 3ih9 n ALA 162 Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 3ih9 n ALA 162 Cb 0.10 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.14 3ih9 n ALA 162 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3ih9 n VAL 163 N -1.48 0.44 -1.27 0.00 0.24 -0.13 -4.92 118.33 111.21 3ih9 n VAL 163 Ca 0.07 -3.40 -0.05 0.00 -2.04 0.00 0.00 64.34 58.92 3ih9 n VAL 163 Cb 0.30 0.40 0.22 0.00 -1.47 0.00 0.00 33.84 33.29 3ih9 n VAL 163 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3ih9 n SER 164 N 0.04 3.24 -0.21 -1.34 7.64 -1.14 -4.71 113.62 117.15 3ih9 n SER 164 Ca 0.14 -3.52 -0.02 0.00 1.01 0.00 0.00 58.87 56.48 3ih9 n SER 164 Cb 0.76 -0.66 0.09 0.00 -1.01 0.00 0.00 64.21 63.39 3ih9 n SER 164 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ih9 h ASP 165 N 1.36 0.46 0.09 6.43 3.32 -1.91 -0.84 116.42 125.34 3ih9 h ASP 165 Ca 0.24 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 3ih9 h ASP 165 Cb 1.87 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.37 3ih9 h ASP 165 CO 0.50 0.30 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.18 3ih9 h ARG 166 N 0.60 -0.12 -0.45 3.56 2.43 -1.99 0.11 114.38 118.52 3ih9 h ARG 166 Ca 0.29 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3ih9 h ARG 166 Cb 0.22 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3ih9 h ARG 166 CO -0.20 -0.08 0.10 -0.91 -1.51 0.00 0.00 179.97 177.37 3ih9 h ASN 167 N -0.13 0.63 -0.09 -3.80 2.35 -1.87 -0.67 115.58 112.00 3ih9 h ASN 167 Ca -0.01 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 3ih9 h ASN 167 Cb 0.10 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3ih9 h ASN 167 CO 0.01 0.64 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.25 3ih9 h LEU 168 N 0.66 0.39 -0.09 1.61 3.38 -0.72 -0.15 115.31 120.40 3ih9 h LEU 168 Ca 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ih9 h LEU 168 Cb 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ih9 h LEU 168 CO -0.00 0.54 0.04 -1.28 0.09 0.00 0.00 178.44 177.83 3ih9 h SER 169 N 0.39 0.11 -0.64 -0.43 0.87 0.64 -0.92 113.55 113.56 3ih9 h SER 169 Ca 0.08 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3ih9 h SER 169 Cb 0.44 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3ih9 h SER 169 CO 0.02 0.22 0.38 -0.07 -0.53 0.00 0.00 176.83 176.85 3ih9 h LEU 170 N 0.00 0.79 -0.20 2.23 3.38 -0.68 -2.16 115.31 118.67 3ih9 h LEU 170 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ih9 h LEU 170 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ih9 h LEU 170 CO -0.00 0.63 0.12 0.00 0.09 0.00 0.00 178.44 179.27 3ih9 h ALA 171 N 1.19 0.26 -0.21 1.53 0.00 -0.85 -0.70 119.26 120.48 3ih9 h ALA 171 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ih9 h ALA 171 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ih9 h ALA 171 CO -0.04 -0.22 0.13 0.45 0.00 0.00 0.00 179.25 179.56 3ih9 h HIS 172 N 0.24 0.28 -0.37 0.00 3.86 -1.03 0.11 115.15 118.23 3ih9 h HIS 172 Ca 0.07 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3ih9 h HIS 172 Cb 0.04 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3ih9 h HIS 172 CO -0.04 0.22 0.17 1.98 0.86 0.00 0.00 177.93 181.12 3ih9 h MET 173 N 0.26 0.34 -0.54 2.45 -1.53 -1.31 -0.41 114.93 114.19 3ih9 h MET 173 Ca 0.08 -0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.38 3ih9 h MET 173 Cb 0.02 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 30.94 3ih9 h MET 173 CO -0.01 0.23 0.23 -0.07 0.14 0.00 0.00 176.91 177.42 3ih9 h LEU 174 N 0.35 0.28 -0.01 3.39 3.38 -0.67 -2.27 115.31 119.77 3ih9 h LEU 174 Ca 0.16 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3ih9 h LEU 174 Cb 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ih9 h LEU 174 CO -0.13 0.19 -0.16 0.03 0.09 0.00 0.00 178.44 178.46 3ih9 h ARG 175 N 0.44 -0.24 -0.88 1.13 3.08 0.27 -0.56 114.38 117.61 3ih9 h ARG 175 Ca 0.26 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.56 3ih9 h ARG 175 Cb 0.24 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3ih9 h ARG 175 CO -0.23 -0.16 0.62 0.66 -1.07 0.00 0.00 179.97 179.79 3ih9 h SER 176 N -0.25 0.11 -0.14 7.04 4.64 -0.57 0.49 113.55 124.87 3ih9 h SER 176 Ca 0.06 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3ih9 h SER 176 Cb 0.33 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3ih9 h SER 176 CO -0.16 0.04 0.00 -1.22 -0.87 0.00 0.00 176.83 174.62 3ih9 n TYR 177 N -4.35 0.16 -1.31 4.77 4.02 -0.64 -4.95 117.16 114.87 3ih9 n TYR 177 Ca 0.18 -0.08 -0.01 0.00 -0.01 0.00 0.00 57.90 57.98 3ih9 n TYR 177 Cb 0.88 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.19 3ih9 n TYR 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ih9 n GLY 178 N 1.28 0.43 0.09 2.72 0.00 0.17 -4.93 105.19 104.94 3ih9 n GLY 178 Ca 0.17 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.24 3ih9 n GLY 178 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ih9 n VAL 179 N -3.26 0.95 -4.81 1.61 0.31 -0.31 -4.77 118.33 108.06 3ih9 n VAL 179 Ca -0.01 -0.65 -0.32 0.00 -0.01 0.00 0.00 64.34 63.35 3ih9 n VAL 179 Cb 0.17 -0.55 -0.17 0.00 -0.91 0.00 0.00 33.84 32.38 3ih9 n VAL 179 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ih9 s LEU 180 N -5.54 2.05 -0.15 7.52 1.43 -1.23 -4.91 118.68 117.85 3ih9 s LEU 180 Ca -0.03 -0.56 0.14 0.00 -1.03 0.00 0.00 54.13 52.64 3ih9 s LEU 180 Cb 0.09 -1.38 -0.24 0.00 0.03 0.00 0.00 46.19 44.69 3ih9 s LEU 180 CO 0.82 0.10 0.27 0.00 0.23 0.00 0.00 176.35 177.76 3ih9 n GLN 181 N 3.92 0.67 -1.55 1.70 0.00 -1.26 -4.29 117.38 116.57 3ih9 n GLN 181 Ca -0.20 0.12 -0.24 0.00 0.00 0.00 0.00 57.00 56.69 3ih9 n GLN 181 Cb 0.52 -1.62 0.17 0.00 0.00 0.00 0.00 30.24 29.30 3ih9 n GLN 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3ih9 n ASP 182 N -2.93 0.08 -4.77 2.61 10.43 -1.26 -5.01 116.55 115.69 3ih9 n ASP 182 Ca -0.28 -1.39 -0.41 0.00 2.57 0.00 0.00 54.79 55.28 3ih9 n ASP 182 Cb 1.10 -0.83 -0.02 0.00 1.84 0.00 0.00 41.12 43.22 3ih9 n ASP 182 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3ih9 s SER 183 N -4.96 6.64 0.18 -2.24 0.15 -1.26 -4.92 113.70 107.29 3ih9 s SER 183 Ca 0.61 2.79 -0.13 0.00 0.70 0.00 0.00 55.95 59.92 3ih9 s SER 183 Cb -0.02 -2.65 0.09 0.00 -1.71 0.00 0.00 66.02 61.73 3ih9 s SER 183 CO 0.43 -0.64 1.83 0.00 1.20 0.00 0.00 173.24 176.05 3ih9 h ALA 184 N 3.45 0.75 -0.60 5.45 0.00 -1.95 -1.39 119.26 124.98 3ih9 h ALA 184 Ca -0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3ih9 h ALA 184 Cb 1.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3ih9 h ALA 184 CO 0.66 0.21 0.28 0.93 0.00 0.00 0.00 179.25 181.33 3ih9 h GLU 185 N 0.80 0.85 -0.07 0.00 3.07 -1.93 -0.94 114.58 116.35 3ih9 h GLU 185 Ca 0.21 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3ih9 h GLU 185 Cb -0.05 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 3ih9 h GLU 185 CO -0.04 0.67 -0.02 1.49 -1.40 0.00 0.00 179.01 179.71 3ih9 h GLU 186 N 0.85 0.14 -0.68 2.33 4.81 -1.76 -2.39 114.58 117.87 3ih9 h GLU 186 Ca 0.21 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3ih9 h GLU 186 Cb 0.11 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3ih9 h GLU 186 CO -0.03 0.46 0.12 0.82 -0.73 0.00 0.00 179.01 179.66 3ih9 h ILE 187 N -0.19 1.26 -0.61 2.32 1.08 -1.07 -2.23 117.51 118.07 3ih9 h ILE 187 Ca 0.02 -1.03 -0.09 0.00 -0.39 0.00 0.00 64.86 63.37 3ih9 h ILE 187 Cb 0.41 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3ih9 h ILE 187 CO 0.01 0.39 0.03 0.58 -0.69 0.00 0.00 178.15 178.47 3ih9 h VAL 188 N 1.05 1.26 -0.51 1.67 2.07 -1.19 -0.46 116.25 120.15 3ih9 h VAL 188 Ca 0.21 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 3ih9 h VAL 188 Cb 0.43 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3ih9 h VAL 188 CO 0.01 0.40 0.02 0.00 0.02 0.00 0.00 177.57 178.03 3ih9 h ALA 189 N 1.06 0.68 -0.33 1.67 0.00 -1.33 0.89 119.26 121.89 3ih9 h ALA 189 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ih9 h ALA 189 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ih9 h ALA 189 CO 0.02 0.47 0.20 0.78 0.00 0.00 0.00 179.25 180.73 3ih9 h GLY 190 N 0.75 0.46 0.91 0.00 0.00 -1.15 -0.15 103.07 103.89 3ih9 h GLY 190 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3ih9 h GLY 190 CO 0.02 0.14 0.09 -1.82 0.00 0.00 0.00 176.54 174.98 3ih9 h TYR 191 N 0.41 0.31 -0.85 5.60 3.20 -0.86 -1.23 116.97 123.56 3ih9 h TYR 191 Ca 0.13 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3ih9 h TYR 191 Cb -0.01 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 3ih9 h TYR 191 CO -0.07 0.33 0.55 0.28 -1.64 0.00 0.00 178.16 177.61 3ih9 h VAL 192 N 0.20 1.14 -0.28 1.81 2.07 -0.66 -1.11 116.25 119.42 3ih9 h VAL 192 Ca 0.07 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3ih9 h VAL 192 Cb 0.14 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3ih9 h VAL 192 CO -0.01 0.20 0.15 0.00 0.02 0.00 0.00 177.57 177.93 3ih9 h ALA 193 N 1.35 0.35 -0.76 1.67 0.00 -0.79 -2.28 119.26 118.80 3ih9 h ALA 193 Ca 0.34 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.32 3ih9 h ALA 193 Cb -0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 3ih9 h ALA 193 CO -0.11 -0.12 0.32 0.37 0.00 0.00 0.00 179.25 179.71 3ih9 h GLN 194 N 0.33 0.46 0.00 0.00 4.15 -0.66 0.28 115.11 119.68 3ih9 h GLN 194 Ca 0.10 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3ih9 h GLN 194 Cb 0.06 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3ih9 h GLN 194 CO -0.02 0.30 0.00 0.00 -1.93 0.00 0.00 178.83 177.19 3ih9 n ALA 196 N -1.03 2.56 -1.77 0.00 0.00 0.98 -1.59 120.51 119.66 3ih9 n ALA 196 Ca 0.21 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 3ih9 n ALA 196 Cb 0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3ih9 n ALA 196 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ih9 s VAL 197 N -2.04 2.47 -0.18 0.00 1.01 -1.11 0.13 120.40 120.68 3ih9 s VAL 197 Ca 0.27 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 3ih9 s VAL 197 Cb 0.20 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3ih9 s VAL 197 CO 0.33 0.00 0.78 -0.76 0.00 0.00 0.00 175.10 175.45 3ih9 s LEU 198 N 2.09 4.17 0.19 3.92 1.43 0.18 -0.97 118.68 129.69 3ih9 s LEU 198 Ca 0.77 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 3ih9 s LEU 198 Cb -0.46 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 3ih9 s LEU 198 CO 0.34 -0.37 0.03 0.68 0.23 0.00 0.00 176.35 177.26 3ih9 s VAL 199 N 2.11 0.59 0.29 -1.59 -7.23 -0.54 -4.36 120.40 109.67 3ih9 s VAL 199 Ca 0.36 -1.98 0.11 0.00 -1.81 0.00 0.00 61.98 58.66 3ih9 s VAL 199 Cb -0.16 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3ih9 s VAL 199 CO 0.12 -0.34 -0.15 0.42 -0.31 0.00 0.00 175.10 174.84 3ih9 s THR 200 N -3.72 2.51 0.30 5.32 -4.23 -1.26 -1.08 115.64 113.48 3ih9 s THR 200 Ca 0.28 -2.31 0.06 0.00 -1.18 0.00 0.00 61.69 58.53 3ih9 s THR 200 Cb 0.07 -2.43 0.30 0.00 1.34 0.00 0.00 72.50 71.77 3ih9 s THR 200 CO 0.07 -0.35 1.77 0.58 -0.54 0.00 0.00 174.62 176.15 3ih9 h VAL 201 N 2.17 0.69 -0.69 2.29 2.07 -1.76 0.16 116.25 121.18 3ih9 h VAL 201 Ca -0.41 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3ih9 h VAL 201 Cb 1.26 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3ih9 h VAL 201 CO 0.62 0.14 0.41 0.11 0.02 0.00 0.00 177.57 178.87 3ih9 h LYS 202 N 0.74 0.95 0.14 1.57 1.57 -1.87 -0.98 116.57 118.68 3ih9 h LYS 202 Ca 0.58 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.28 3ih9 h LYS 202 Cb 0.91 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 3ih9 h LYS 202 CO -0.39 0.69 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.50 3ih9 h ASP 203 N 0.95 -0.66 -0.73 0.86 3.32 -1.03 -1.84 116.42 117.28 3ih9 h ASP 203 Ca 0.25 0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.47 3ih9 h ASP 203 Cb -0.01 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 3ih9 h ASP 203 CO -0.04 -0.33 0.37 -0.07 -1.72 0.00 0.00 179.24 177.45 3ih9 h LEU 204 N -0.45 0.50 -0.20 1.55 3.38 -1.04 0.15 115.31 119.20 3ih9 h LEU 204 Ca 0.02 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ih9 h LEU 204 Cb 0.46 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3ih9 h LEU 204 CO -0.12 0.28 -0.02 0.00 0.09 0.00 0.00 178.44 178.67 3ih9 h ALA 205 N 1.44 0.16 -0.32 1.53 0.00 -0.79 0.40 119.26 121.68 3ih9 h ALA 205 Ca 0.36 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 3ih9 h ALA 205 Cb 0.38 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ih9 h ALA 205 CO -0.27 -0.45 -0.04 0.28 0.00 0.00 0.00 179.25 178.77 3ih9 h VAL 206 N 0.04 1.27 -0.88 0.00 2.07 -0.74 -0.29 116.25 117.73 3ih9 h VAL 206 Ca 0.09 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3ih9 h VAL 206 Cb 0.13 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3ih9 h VAL 206 CO -0.18 0.34 0.55 0.24 0.02 0.00 0.00 177.57 178.55 3ih9 h MET 207 N 0.39 1.18 -0.52 1.57 2.07 -0.40 -1.89 114.93 117.32 3ih9 h MET 207 Ca 0.09 -0.09 -0.11 0.00 -2.07 0.00 0.00 59.70 57.51 3ih9 h MET 207 Cb 0.51 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 3ih9 h MET 207 CO 0.02 0.81 -0.10 0.78 1.07 0.00 0.00 176.91 179.50 3ih9 h GLY 208 N 1.20 1.07 1.46 8.32 0.00 -0.00 -2.54 103.07 112.58 3ih9 h GLY 208 Ca 0.32 -0.86 0.06 0.00 0.00 0.00 0.00 47.33 46.84 3ih9 h GLY 208 CO -0.06 0.79 0.24 0.00 0.00 0.00 0.00 176.54 177.51 3ih9 h ALA 209 N 0.92 2.03 -0.34 3.60 0.00 -0.44 0.05 119.26 125.07 3ih9 h ALA 209 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ih9 h ALA 209 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3ih9 h ALA 209 CO 0.05 -0.10 0.08 0.00 0.00 0.00 0.00 179.25 179.28 3ih9 h LEU 211 N 0.49 0.18 -1.31 0.00 3.38 -1.03 -0.13 115.31 116.89 3ih9 h LEU 211 Ca 0.12 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3ih9 h LEU 211 Cb 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ih9 h LEU 211 CO -0.00 1.18 -0.33 0.00 0.09 0.00 0.00 178.44 179.38 3ih9 h ALA 212 N 0.79 1.28 0.00 1.53 0.00 -0.62 -2.73 119.26 119.52 3ih9 h ALA 212 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3ih9 h ALA 212 Cb 1.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3ih9 h ALA 212 CO 0.15 0.41 -0.33 1.79 0.00 0.00 0.00 179.25 181.27 3ih9 h THR 213 N 0.00 0.00 0.00 0.00 1.35 -1.32 0.39 112.91 113.33 3ih9 h THR 213 Ca -0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3ih9 h THR 213 Cb 0.65 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3ih9 h THR 213 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 3ih9 n GLY 214 N 1.29 0.99 0.00 5.82 0.00 -1.03 -4.41 105.19 107.85 3ih9 n GLY 214 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3ih9 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih9 n GLY 215 N -2.02 1.02 3.71 -0.02 0.00 -0.06 -3.00 105.19 104.82 3ih9 n GLY 215 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ih9 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ih9 s ILE 216 N -2.00 5.10 -0.05 -0.61 -1.09 -1.24 0.08 121.20 121.39 3ih9 s ILE 216 Ca 0.00 1.20 -0.30 0.00 -2.23 0.00 0.00 60.65 59.32 3ih9 s ILE 216 Cb 0.00 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3ih9 s ILE 216 CO 0.00 0.26 1.34 -2.28 -1.23 0.00 0.00 174.94 173.03 3ih9 s HIS 217 N 0.93 2.87 -1.10 3.97 2.46 0.54 -4.46 115.29 120.50 3ih9 s HIS 217 Ca 0.31 0.91 0.10 0.00 0.47 0.00 0.00 55.06 56.85 3ih9 s HIS 217 Cb -0.16 -3.59 0.46 0.00 -0.13 0.00 0.00 32.58 29.16 3ih9 s HIS 217 CO 0.14 -2.12 1.30 -0.35 -2.47 0.00 0.00 174.74 171.24 3ih9 n PRO 218 N 5.69 0.03 -0.01 2.88 -0.04 -1.26 -0.39 135.00 141.91 3ih9 n PRO 218 Ca 0.13 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 3ih9 n PRO 218 Cb 0.44 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.24 3ih9 n PRO 218 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ih9 n MET 219 N -1.45 0.61 0.00 0.54 2.81 -1.26 -2.82 117.12 115.55 3ih9 n MET 219 Ca 0.03 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 3ih9 n MET 219 Cb 0.11 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 3ih9 n MET 219 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ih9 n THR 220 N -2.19 0.00 -0.90 2.03 -2.24 -1.13 -5.00 114.28 104.85 3ih9 n THR 220 Ca -0.03 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3ih9 n THR 220 Cb 0.54 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3ih9 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih9 n GLY 221 N 0.58 0.58 3.83 3.38 0.00 0.48 -4.99 105.19 109.05 3ih9 n GLY 221 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ih9 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ih9 s GLU 222 N -0.40 4.07 -0.34 1.61 2.12 -1.25 -4.73 118.70 119.77 3ih9 s GLU 222 Ca 0.00 1.00 -0.19 0.00 0.36 0.00 0.00 54.97 56.14 3ih9 s GLU 222 Cb 0.00 -2.18 -0.00 0.00 0.26 0.00 0.00 34.13 32.21 3ih9 s GLU 222 CO 0.00 -0.14 0.55 0.50 -0.54 0.00 0.00 175.26 175.63 3ih9 s ARG 223 N -3.62 3.69 -0.04 4.30 3.52 -1.26 -0.34 118.95 125.20 3ih9 s ARG 223 Ca 0.60 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 3ih9 s ARG 223 Cb -0.10 -3.79 -0.25 0.00 -1.56 0.00 0.00 34.95 29.25 3ih9 s ARG 223 CO 0.23 -0.64 0.69 0.52 -0.81 0.00 0.00 175.30 175.29 3ih9 h MET 224 N 8.41 0.15 -4.22 5.12 2.86 -0.71 -3.48 114.93 123.06 3ih9 h MET 224 Ca -0.28 -0.26 -0.13 0.00 -2.06 0.00 0.00 59.70 56.98 3ih9 h MET 224 Cb 1.12 0.10 -0.16 0.00 0.06 0.00 0.00 31.60 32.72 3ih9 h MET 224 CO 0.78 0.91 -0.68 -0.51 1.06 0.00 0.00 176.91 178.47 3ih9 s LEU 225 N -6.67 2.46 0.31 1.22 1.43 -1.13 -5.08 118.68 111.22 3ih9 s LEU 225 Ca -0.10 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.77 3ih9 s LEU 225 Cb 0.07 0.18 -0.10 0.00 0.03 0.00 0.00 46.19 46.37 3ih9 s LEU 225 CO 0.82 -0.56 1.19 -2.84 0.23 0.00 0.00 176.35 175.19 3ih9 s PRO 226 N -3.61 4.49 0.42 1.29 0.02 -1.26 -4.44 135.00 131.91 3ih9 s PRO 226 Ca 0.04 1.98 0.16 0.00 0.02 0.00 0.00 61.00 63.21 3ih9 s PRO 226 Cb 0.06 -3.11 1.07 0.00 0.02 0.00 0.00 34.50 32.54 3ih9 s PRO 226 CO -0.09 0.01 1.90 0.66 -0.33 0.00 0.00 177.00 179.15 3ih9 h SER 227 N 3.56 0.39 -0.20 2.53 4.64 -1.93 -1.04 113.55 121.51 3ih9 h SER 227 Ca -0.48 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 3ih9 h SER 227 Cb 1.22 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3ih9 h SER 227 CO 0.66 0.19 -0.33 -0.29 -0.87 0.00 0.00 176.83 176.19 3ih9 h ILE 228 N 0.41 1.28 -0.42 0.95 6.09 -1.91 -0.83 117.51 123.08 3ih9 h ILE 228 Ca 0.41 -1.47 -0.14 0.00 -1.37 0.00 0.00 64.86 62.28 3ih9 h ILE 228 Cb 0.97 1.39 -0.01 0.00 0.47 0.00 0.00 36.82 39.64 3ih9 h ILE 228 CO -0.14 0.48 -0.28 0.58 -3.07 0.00 0.00 178.15 175.73 3ih9 h VAL 229 N 0.60 1.27 -0.15 2.19 2.07 -1.60 -2.85 116.25 117.80 3ih9 h VAL 229 Ca 0.06 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 3ih9 h VAL 229 Cb 0.85 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3ih9 h VAL 229 CO 0.07 0.49 -0.00 0.00 0.02 0.00 0.00 177.57 178.15 3ih9 h ALA 230 N 0.81 0.20 -0.65 1.67 0.00 -1.24 -2.32 119.26 117.73 3ih9 h ALA 230 Ca 0.08 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.92 3ih9 h ALA 230 Cb 0.86 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 3ih9 h ALA 230 CO 0.08 -0.10 0.19 -0.09 0.00 0.00 0.00 179.25 179.33 3ih9 h ARG 231 N -0.01 0.32 -0.24 0.00 2.43 -1.15 -1.01 114.38 114.72 3ih9 h ARG 231 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ih9 h ARG 231 Cb 0.38 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3ih9 h ARG 231 CO 0.01 0.21 0.12 -0.09 -1.51 0.00 0.00 179.97 178.70 3ih9 h ARG 232 N 0.33 0.35 -0.85 0.20 9.65 -1.42 -1.19 114.38 121.46 3ih9 h ARG 232 Ca 0.34 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.23 3ih9 h ARG 232 Cb 0.51 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.96 3ih9 h ARG 232 CO -0.39 0.36 0.52 0.28 2.80 0.00 0.00 179.97 183.54 3ih9 h VAL 233 N 0.26 1.03 -0.08 0.20 2.07 -0.69 -1.25 116.25 117.80 3ih9 h VAL 233 Ca 0.08 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 3ih9 h VAL 233 Cb 0.13 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3ih9 h VAL 233 CO -0.01 0.17 -0.58 0.58 0.02 0.00 0.00 177.57 177.75 3ih9 h VAL 234 N 0.94 1.38 -0.23 2.57 2.07 -1.05 -1.96 116.25 119.97 3ih9 h VAL 234 Ca 0.37 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.98 3ih9 h VAL 234 Cb 0.19 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3ih9 h VAL 234 CO -0.18 0.57 0.11 0.28 0.02 0.00 0.00 177.57 178.37 3ih9 h SER 235 N 0.18 0.16 1.06 0.57 0.02 -0.10 -0.13 113.55 115.32 3ih9 h SER 235 Ca -0.00 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3ih9 h SER 235 Cb 1.08 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3ih9 h SER 235 CO 0.09 0.13 -0.20 0.58 -1.14 0.00 0.00 176.83 176.29 3ih9 h VAL 236 N 0.24 0.46 -0.21 2.27 2.07 -1.25 -1.26 116.25 118.57 3ih9 h VAL 236 Ca 0.10 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 3ih9 h VAL 236 Cb 0.03 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3ih9 h VAL 236 CO -0.07 0.19 -0.25 0.24 0.02 0.00 0.00 177.57 177.70 3ih9 h MET 237 N 0.00 0.55 -0.10 1.57 2.86 -0.64 -0.76 114.93 118.40 3ih9 h MET 237 Ca -0.00 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3ih9 h MET 237 Cb 0.78 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 3ih9 h MET 237 CO 0.03 0.90 0.05 1.15 1.06 0.00 0.00 176.91 180.09 3ih9 h THR 238 N 0.23 1.13 0.00 2.22 2.02 -0.66 0.11 112.91 117.95 3ih9 h THR 238 Ca 0.03 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.66 3ih9 h THR 238 Cb 0.82 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3ih9 h THR 238 CO 0.06 0.11 -0.87 0.77 0.37 0.00 0.00 175.52 175.97 3ih9 h SER 239 N 0.03 0.00 0.00 4.18 4.64 -1.28 -3.40 113.55 117.72 3ih9 h SER 239 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ih9 h SER 239 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3ih9 h SER 239 CO -0.00 0.82 0.00 -1.20 -0.87 0.00 0.00 176.83 175.57 3ih9 n SER 240 N -3.28 0.25 -0.24 4.97 7.64 -0.30 -4.64 113.62 118.02 3ih9 n SER 240 Ca -0.00 -0.58 0.03 0.00 1.01 0.00 0.00 58.87 59.33 3ih9 n SER 240 Cb 0.87 0.45 0.15 0.00 -1.01 0.00 0.00 64.21 64.68 3ih9 n SER 240 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3ih9 h GLY 241 N 0.00 1.02 -3.76 0.23 0.00 -0.65 -1.11 103.07 98.80 3ih9 h GLY 241 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 47.33 46.93 3ih9 h GLY 241 CO 0.00 -0.07 0.33 1.03 0.00 0.00 0.00 176.54 177.84 3ih9 n MET 242 N -5.00 3.55 0.00 4.80 2.81 -1.26 -4.74 117.12 117.28 3ih9 n MET 242 Ca 0.12 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 52.92 3ih9 n MET 242 Cb 0.36 -2.22 0.00 0.00 -0.71 0.00 0.00 33.22 30.65 3ih9 n MET 242 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ih9 n TYR 243 N -0.29 0.00 0.35 2.03 4.02 -0.42 -1.59 117.16 121.25 3ih9 n TYR 243 Ca 0.44 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.42 3ih9 n TYR 243 Cb 1.44 0.01 0.41 0.00 -0.02 0.00 0.00 39.34 41.18 3ih9 n TYR 243 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3ih9 n ASP 244 N 2.25 0.40 -1.06 7.72 8.00 -1.25 -1.79 116.55 130.82 3ih9 n ASP 244 Ca 0.00 0.62 0.10 0.00 0.71 0.00 0.00 54.79 56.22 3ih9 n ASP 244 Cb 0.00 -0.70 0.27 0.00 -0.02 0.00 0.00 41.12 40.67 3ih9 n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih9 n ALA 245 N -1.67 2.42 0.04 2.24 0.00 -0.62 -4.45 120.51 118.46 3ih9 n ALA 245 Ca 0.02 -0.97 0.15 0.00 0.00 0.00 0.00 53.44 52.64 3ih9 n ALA 245 Cb 0.16 -0.95 0.63 0.00 0.00 0.00 0.00 19.45 19.29 3ih9 n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih9 h ALA 246 N 4.22 2.26 0.35 0.00 0.00 -1.20 -1.74 119.26 123.14 3ih9 h ALA 246 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ih9 h ALA 246 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ih9 h ALA 246 CO 0.00 -0.37 -0.17 0.78 0.00 0.00 0.00 179.25 179.49 3ih9 h GLY 247 N 0.11 -0.49 1.03 0.00 0.00 -1.84 -0.82 103.07 101.06 3ih9 h GLY 247 Ca 0.20 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 3ih9 h GLY 247 CO -0.02 -0.18 0.48 0.06 0.00 0.00 0.00 176.54 176.88 3ih9 h GLN 248 N -0.87 1.26 -0.88 4.80 -0.00 -1.87 -1.93 115.11 115.63 3ih9 h GLN 248 Ca -0.05 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.65 58.44 3ih9 h GLN 248 Cb 0.53 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.48 27.73 3ih9 h GLN 248 CO 0.08 0.93 0.52 2.35 -0.00 0.00 0.00 178.83 182.71 3ih9 h TRP 249 N 1.26 1.16 -0.41 0.06 2.91 -1.32 0.45 115.95 120.06 3ih9 h TRP 249 Ca 0.31 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.33 3ih9 h TRP 249 Cb 0.05 -0.38 -0.02 0.00 -0.51 0.00 0.00 29.16 28.30 3ih9 h TRP 249 CO 0.01 0.77 0.25 1.25 -1.03 0.00 0.00 178.44 179.70 3ih9 h LEU 250 N 1.21 0.49 0.09 0.65 6.46 -0.60 0.63 115.31 124.25 3ih9 h LEU 250 Ca 0.31 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3ih9 h LEU 250 Cb -0.04 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 3ih9 h LEU 250 CO -0.06 0.39 -0.04 0.00 -0.62 0.00 0.00 178.44 178.11 3ih9 h ALA 251 N 1.12 -0.13 -0.17 1.25 0.00 -0.71 -1.37 119.26 119.26 3ih9 h ALA 251 Ca 0.15 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3ih9 h ALA 251 Cb -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ih9 h ALA 251 CO -0.03 -0.33 -0.65 -0.44 0.00 0.00 0.00 179.25 177.80 3ih9 h ASP 252 N -0.61 0.73 0.00 0.00 3.32 -0.11 -3.40 116.42 116.35 3ih9 h ASP 252 Ca -0.01 -0.43 -0.25 0.00 0.02 0.00 0.00 57.03 56.36 3ih9 h ASP 252 Cb 0.49 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3ih9 h ASP 252 CO 0.02 1.19 -1.87 0.52 -1.72 0.00 0.00 179.24 177.38 3ih9 n VAL 253 N -3.93 0.86 -1.71 -1.35 0.31 0.12 -4.84 118.33 107.79 3ih9 n VAL 253 Ca -0.05 -0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 63.92 3ih9 n VAL 253 Cb 0.67 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 3ih9 n VAL 253 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ih9 n GLY 254 N 2.33 0.60 3.05 2.92 0.00 -0.52 -4.58 105.19 108.99 3ih9 n GLY 254 Ca -0.29 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 3ih9 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ih9 s ILE 255 N -2.44 1.84 0.16 -0.61 1.01 -1.26 -0.58 121.20 119.31 3ih9 s ILE 255 Ca 0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 60.65 59.27 3ih9 s ILE 255 Cb 0.00 -1.82 -0.13 0.00 0.01 0.00 0.00 42.46 40.52 3ih9 s ILE 255 CO 0.00 0.28 1.64 -2.65 0.00 0.00 0.00 174.94 174.21 3ih9 n PRO 256 N 4.63 2.33 -3.44 2.79 -0.02 -1.26 -4.88 135.00 135.16 3ih9 n PRO 256 Ca -0.17 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3ih9 n PRO 256 Cb 0.47 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 3ih9 n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ih9 s ALA 257 N 1.22 -1.64 -0.06 3.55 0.00 -1.26 -1.37 121.76 122.20 3ih9 s ALA 257 Ca 0.79 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.31 3ih9 s ALA 257 Cb -0.63 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3ih9 s ALA 257 CO 0.37 -0.75 0.14 0.21 0.00 0.00 0.00 175.76 175.73 3ih9 s LYS 258 N -3.60 0.09 0.15 0.00 2.47 -0.20 -4.45 119.74 114.20 3ih9 s LYS 258 Ca 0.02 0.33 0.04 0.00 -1.56 0.00 0.00 55.97 54.80 3ih9 s LYS 258 Cb -0.01 -0.15 -0.04 0.00 -1.46 0.00 0.00 37.83 36.17 3ih9 s LYS 258 CO -0.12 -0.14 0.18 0.45 0.16 0.00 0.00 175.35 175.87 3ih9 s SER 259 N 1.01 5.79 0.10 1.43 0.15 -1.26 -0.24 113.70 120.68 3ih9 s SER 259 Ca -0.08 -0.02 0.10 0.00 0.70 0.00 0.00 55.95 56.65 3ih9 s SER 259 Cb -0.10 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 3ih9 s SER 259 CO -0.05 0.07 -0.25 -0.83 1.20 0.00 0.00 173.24 173.39 3ih9 s GLY 260 N -3.08 1.42 0.00 9.45 0.00 -0.19 -4.00 107.32 110.92 3ih9 s GLY 260 Ca 0.32 -1.34 0.05 0.00 0.00 0.00 0.00 44.72 43.75 3ih9 s GLY 260 CO 0.25 -1.31 0.66 3.33 0.00 0.00 0.00 173.10 176.04 3ih9 n VAL 261 N 1.18 0.00 0.99 1.40 0.24 -1.26 -1.69 118.33 119.19 3ih9 n VAL 261 Ca -0.18 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.23 3ih9 n VAL 261 Cb 0.53 -0.61 -0.01 0.00 -1.47 0.00 0.00 33.84 32.28 3ih9 n VAL 261 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ih9 n ALA 262 N -0.76 3.63 0.00 2.33 0.00 -1.26 -4.24 120.51 120.21 3ih9 n ALA 262 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3ih9 n ALA 262 Cb 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3ih9 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ih9 n GLY 263 N 1.42 0.84 3.83 0.00 0.00 -0.68 -4.18 105.19 106.42 3ih9 n GLY 263 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3ih9 n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ih9 s GLY 264 N -1.60 2.45 -0.05 -0.02 0.00 -1.24 -1.01 107.32 105.85 3ih9 s GLY 264 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.90 3ih9 s GLY 264 CO 0.00 0.46 -0.01 0.14 0.00 0.00 0.00 173.10 173.69 3ih9 s VAL 265 N -1.88 0.36 -0.11 1.40 1.01 -0.30 -1.02 120.40 119.85 3ih9 s VAL 265 Ca 0.53 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.41 3ih9 s VAL 265 Cb -0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 3ih9 s VAL 265 CO 0.18 0.22 0.36 -0.22 0.00 0.00 0.00 175.10 175.64 3ih9 s LEU 266 N 1.42 4.31 0.02 3.92 0.20 0.67 -2.06 118.68 127.17 3ih9 s LEU 266 Ca -0.04 0.69 0.05 0.00 0.69 0.00 0.00 54.13 55.52 3ih9 s LEU 266 Cb -0.13 -2.49 -0.02 0.00 -0.43 0.00 0.00 46.19 43.12 3ih9 s LEU 266 CO -0.03 0.14 -0.14 -0.83 -0.29 0.00 0.00 176.35 175.20 3ih9 s GLY 267 N 0.08 0.76 -0.28 7.98 0.00 0.19 -1.03 107.32 115.01 3ih9 s GLY 267 Ca 0.20 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3ih9 s GLY 267 CO 0.08 -0.69 0.43 0.00 0.00 0.00 0.00 173.10 172.91 3ih9 s ALA 268 N -0.66 -1.34 -0.33 3.20 0.00 -0.47 -0.38 121.76 121.78 3ih9 s ALA 268 Ca 0.03 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 3ih9 s ALA 268 Cb -0.07 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 3ih9 s ALA 268 CO 0.01 -1.64 0.20 -1.17 0.00 0.00 0.00 175.76 173.16 3ih9 s LEU 269 N 2.58 4.37 -0.03 0.00 2.96 -0.48 -4.04 118.68 124.04 3ih9 s LEU 269 Ca 0.11 -0.55 -0.39 0.00 -0.22 0.00 0.00 54.13 53.08 3ih9 s LEU 269 Cb -0.13 -2.06 -0.17 0.00 0.50 0.00 0.00 46.19 44.32 3ih9 s LEU 269 CO -0.26 -0.24 1.38 -2.65 -1.32 0.00 0.00 176.35 173.26 3ih9 n PRO 270 N 5.04 0.86 -0.67 0.98 -0.02 -1.26 -1.33 135.00 138.60 3ih9 n PRO 270 Ca -0.13 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3ih9 n PRO 270 Cb 0.49 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3ih9 n PRO 270 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ih9 n GLY 271 N 2.73 0.51 1.00 -1.23 0.00 0.14 -4.78 105.19 103.56 3ih9 n GLY 271 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3ih9 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ih9 n ARG 272 N -2.00 0.00 -3.58 1.61 1.74 -0.45 -4.90 116.66 109.09 3ih9 n ARG 272 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3ih9 n ARG 272 Cb 0.00 -0.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.92 3ih9 n ARG 272 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ih9 s VAL 273 N -1.95 0.00 -0.13 1.55 0.11 -0.98 -4.18 120.40 114.82 3ih9 s VAL 273 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 3ih9 s VAL 273 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3ih9 s VAL 273 CO 0.00 0.00 0.04 -0.83 -3.33 0.00 0.00 175.10 170.98 3ih9 s GLY 274 N -1.11 1.90 0.02 6.54 0.00 0.11 -1.38 107.32 113.40 3ih9 s GLY 274 Ca -0.02 -0.76 0.08 0.00 0.00 0.00 0.00 44.72 44.02 3ih9 s GLY 274 CO 0.02 -0.30 -0.23 -0.42 0.00 0.00 0.00 173.10 172.16 3ih9 s ILE 275 N -0.40 1.86 -0.03 0.90 1.01 0.49 -1.32 121.20 123.70 3ih9 s ILE 275 Ca 0.09 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.58 3ih9 s ILE 275 Cb -0.12 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.79 3ih9 s ILE 275 CO 0.02 0.37 -0.02 -0.83 0.00 0.00 0.00 174.94 174.48 3ih9 s GLY 276 N -0.94 0.29 0.03 6.18 0.00 -0.84 -0.64 107.32 111.41 3ih9 s GLY 276 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3ih9 s GLY 276 CO 0.01 0.40 -0.04 0.14 0.00 0.00 0.00 173.10 173.60 3ih9 s VAL 277 N 0.76 0.26 -0.08 1.40 1.01 -0.87 -0.37 120.40 122.51 3ih9 s VAL 277 Ca -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 3ih9 s VAL 277 Cb -0.12 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.71 3ih9 s VAL 277 CO -0.01 -0.56 0.15 0.12 0.00 0.00 0.00 175.10 174.81 3ih9 s PHE 278 N -1.90 -0.17 -0.31 5.22 5.36 0.18 -1.15 117.98 125.21 3ih9 s PHE 278 Ca -0.10 0.56 0.02 0.00 -0.96 0.00 0.00 56.93 56.45 3ih9 s PHE 278 Cb -0.07 -0.20 0.19 0.00 -0.34 0.00 0.00 43.02 42.61 3ih9 s PHE 278 CO -0.02 -0.23 0.71 0.45 -1.46 0.00 0.00 175.22 174.67 3ih9 s SER 279 N 1.88 -1.31 0.31 6.13 0.15 -0.18 -1.36 113.70 119.33 3ih9 s SER 279 Ca -0.01 0.03 0.17 0.00 0.70 0.00 0.00 55.95 56.83 3ih9 s SER 279 Cb -0.12 1.80 1.12 0.00 -1.71 0.00 0.00 66.02 67.11 3ih9 s SER 279 CO -0.06 -0.23 1.36 -2.65 1.20 0.00 0.00 173.24 172.87 3ih9 n PRO 280 N 5.17 -0.05 -2.61 5.44 -0.02 -1.26 -4.38 135.00 137.28 3ih9 n PRO 280 Ca 0.07 1.20 -0.41 0.00 -2.02 0.00 0.00 63.50 62.33 3ih9 n PRO 280 Cb 0.56 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 3ih9 n PRO 280 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ih9 s ARG 281 N -5.36 4.60 0.03 -0.52 0.52 -1.26 -4.36 118.95 112.61 3ih9 s ARG 281 Ca -0.08 1.57 -0.00 0.00 -0.52 0.00 0.00 55.73 56.70 3ih9 s ARG 281 Cb 0.29 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 3ih9 s ARG 281 CO 0.67 0.05 0.15 -0.51 0.02 0.00 0.00 175.30 175.68 3ih9 s LEU 282 N 0.26 4.15 0.00 2.53 1.43 0.45 -0.44 118.68 127.05 3ih9 s LEU 282 Ca 0.50 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 3ih9 s LEU 282 Cb -0.26 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.35 3ih9 s LEU 282 CO 0.31 0.21 0.09 -0.90 0.23 0.00 0.00 176.35 176.29 3ih9 n ASP 283 N 0.66 -0.30 0.09 2.29 5.68 0.26 -2.68 116.55 122.56 3ih9 n ASP 283 Ca -0.09 -0.90 0.10 0.00 -0.50 0.00 0.00 54.79 53.40 3ih9 n ASP 283 Cb 0.52 -0.07 0.42 0.00 -1.14 0.00 0.00 41.12 40.85 3ih9 n ASP 283 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ih9 n GLU 284 N -1.35 0.12 -0.13 0.11 0.00 -1.26 -2.22 120.64 115.92 3ih9 n GLU 284 Ca 0.01 0.41 0.08 0.00 0.00 0.00 0.00 57.16 57.67 3ih9 n GLU 284 Cb 0.04 -1.76 0.15 0.00 0.00 0.00 0.00 31.44 29.86 3ih9 n GLU 284 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3ih9 n VAL 285 N -2.00 0.47 -0.03 3.84 0.24 -1.26 -4.98 118.33 114.61 3ih9 n VAL 285 Ca 0.02 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 3ih9 n VAL 285 Cb 0.17 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 3ih9 n VAL 285 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ih9 n GLY 286 N 0.99 0.37 3.92 7.63 0.00 -0.94 -5.09 105.19 112.07 3ih9 n GLY 286 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3ih9 n GLY 286 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ih9 s ASN 287 N -2.64 5.95 -0.18 1.61 0.01 -1.26 -4.59 114.94 113.84 3ih9 s ASN 287 Ca 0.00 0.74 -0.29 0.00 -0.71 0.00 0.00 52.86 52.60 3ih9 s ASN 287 Cb 0.00 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 3ih9 s ASN 287 CO 0.00 -0.76 1.72 -0.55 -1.51 0.00 0.00 177.10 176.00 3ih9 s SER 288 N -4.19 6.30 0.11 -1.22 0.15 -1.26 0.90 113.70 114.48 3ih9 s SER 288 Ca 0.50 1.79 -0.34 0.00 0.70 0.00 0.00 55.95 58.60 3ih9 s SER 288 Cb -0.10 -2.53 -0.14 0.00 -1.71 0.00 0.00 66.02 61.54 3ih9 s SER 288 CO 0.44 -1.30 1.54 0.00 1.20 0.00 0.00 173.24 175.12 3ih9 h ALA 289 N 11.13 -0.96 0.00 5.45 0.00 -0.99 0.19 119.26 134.08 3ih9 h ALA 289 Ca -0.36 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3ih9 h ALA 289 Cb 1.17 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3ih9 h ALA 289 CO 0.99 -1.11 -0.38 0.00 0.00 0.00 0.00 179.25 178.74 3ih9 h ARG 290 N -0.69 0.00 -0.37 0.00 3.08 -1.86 -2.72 114.38 111.82 3ih9 h ARG 290 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3ih9 h ARG 290 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3ih9 h ARG 290 CO -0.32 0.38 0.08 0.78 -1.07 0.00 0.00 179.97 179.82 3ih9 h GLY 291 N 1.77 0.64 1.41 0.04 0.00 -1.65 0.41 103.07 105.68 3ih9 h GLY 291 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 47.33 46.68 3ih9 h GLY 291 CO 0.05 0.38 -0.95 -0.39 0.00 0.00 0.00 176.54 175.63 3ih9 h VAL 292 N 0.44 1.35 -0.17 4.60 -1.51 -0.97 -2.88 116.25 117.11 3ih9 h VAL 292 Ca 0.11 -2.33 -0.02 0.00 -1.23 0.00 0.00 66.70 63.24 3ih9 h VAL 292 Cb 0.32 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 3ih9 h VAL 292 CO 0.00 0.71 0.01 0.25 -1.23 0.00 0.00 177.57 177.31 3ih9 h LEU 293 N 0.31 0.21 -0.61 4.19 5.85 -1.38 -0.39 115.31 123.50 3ih9 h LEU 293 Ca -0.09 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 3ih9 h LEU 293 Cb 1.59 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 3ih9 h LEU 293 CO 0.17 0.25 -0.42 0.00 -0.34 0.00 0.00 178.44 178.10 3ih9 h ALA 294 N 1.79 0.79 -0.29 1.25 0.00 -0.83 -1.13 119.26 120.83 3ih9 h ALA 294 Ca 0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3ih9 h ALA 294 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ih9 h ALA 294 CO 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 3ih9 h ARG 296 N 0.32 1.02 -0.11 0.00 2.43 -0.96 -1.20 114.38 115.88 3ih9 h ARG 296 Ca 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3ih9 h ARG 296 Cb 0.52 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ih9 h ARG 296 CO 0.02 0.67 -0.06 0.00 -1.51 0.00 0.00 179.97 179.10 3ih9 h ARG 297 N 1.05 0.24 -0.89 0.20 2.47 -0.87 -1.81 114.38 114.76 3ih9 h ARG 297 Ca 0.30 -0.11 0.07 0.00 -1.26 0.00 0.00 59.98 58.98 3ih9 h ARG 297 Cb -0.08 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.17 3ih9 h ARG 297 CO -0.07 0.60 0.55 -0.07 0.56 0.00 0.00 179.97 181.54 3ih9 h LEU 298 N -0.12 0.86 -0.14 3.04 3.38 -0.82 0.12 115.31 121.64 3ih9 h LEU 298 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ih9 h LEU 298 Cb 0.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ih9 h LEU 298 CO 0.02 0.54 0.02 -1.28 0.09 0.00 0.00 178.44 177.83 3ih9 h SER 299 N 0.99 0.22 -0.26 -0.43 0.87 -1.16 -1.95 113.55 111.83 3ih9 h SER 299 Ca 0.39 -0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 3ih9 h SER 299 Cb 0.20 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3ih9 h SER 299 CO -0.18 0.44 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.78 3ih9 h GLU 300 N -0.00 0.76 -0.07 2.24 5.08 -0.93 -0.11 114.58 121.54 3ih9 h GLU 300 Ca 0.04 -0.47 -0.17 0.00 -1.00 0.00 0.00 59.36 57.76 3ih9 h GLU 300 Cb 0.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3ih9 h GLU 300 CO 0.00 1.10 -0.71 -0.44 -1.00 0.00 0.00 179.01 177.96 3ih9 h ASP 301 N 0.50 0.41 -0.01 1.42 3.32 -0.82 -3.32 116.42 117.91 3ih9 h ASP 301 Ca 0.02 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3ih9 h ASP 301 Cb 1.04 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3ih9 h ASP 301 CO 0.10 0.99 -0.26 0.49 -1.72 0.00 0.00 179.24 178.84 3ih9 n PHE 302 N -3.83 0.00 -1.95 4.55 0.99 -0.73 -4.98 117.46 111.51 3ih9 n PHE 302 Ca -0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.26 3ih9 n PHE 302 Cb 0.69 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.14 3ih9 n PHE 302 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3ih9 n ARG 303 N 0.01 -1.18 -2.36 -1.08 5.12 -0.08 -4.91 116.66 112.17 3ih9 n ARG 303 Ca 0.07 0.88 -0.39 0.00 -1.93 0.00 0.00 57.85 56.47 3ih9 n ARG 303 Cb 0.32 -5.17 -0.03 0.00 -1.16 0.00 0.00 32.46 26.42 3ih9 n ARG 303 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ih9 s LEU 304 N -4.12 3.23 -0.19 0.55 1.43 -1.05 -4.81 118.68 113.72 3ih9 s LEU 304 Ca 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3ih9 s LEU 304 Cb 0.00 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.74 3ih9 s LEU 304 CO 0.00 -2.04 0.45 -2.28 0.23 0.00 0.00 176.35 172.71 3ih9 s HIS 305 N 7.00 -0.70 0.37 0.29 2.46 -1.26 -4.32 115.29 119.13 3ih9 s HIS 305 Ca 0.48 1.44 0.19 0.00 0.47 0.00 0.00 55.06 57.64 3ih9 s HIS 305 Cb -0.09 0.33 1.17 0.00 -0.13 0.00 0.00 32.58 33.86 3ih9 s HIS 305 CO 0.14 -0.39 1.67 1.25 -2.47 0.00 0.00 174.74 174.94 3ih9 h LEU 306 N 7.28 0.44 -0.40 8.88 5.85 -1.13 0.69 115.31 136.92 3ih9 h LEU 306 Ca -0.33 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3ih9 h LEU 306 Cb 1.18 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3ih9 h LEU 306 CO 0.25 -0.11 -0.02 0.23 -0.34 0.00 0.00 178.44 178.45 3ih9 n MET 307 N -4.90 1.20 -3.14 1.25 2.81 -1.26 -4.52 117.12 108.57 3ih9 n MET 307 Ca 0.32 -0.40 -0.45 0.00 -1.81 0.00 0.00 57.70 55.36 3ih9 n MET 307 Cb 1.07 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 32.04 3ih9 n MET 307 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ih9 s ASP 308 N -2.08 6.21 1.19 7.83 -0.00 0.24 -5.03 116.67 125.03 3ih9 s ASP 308 Ca 0.41 -1.52 -0.14 0.00 -0.00 0.00 0.00 52.55 51.30 3ih9 s ASP 308 Cb 0.21 -2.29 0.30 0.00 -0.00 0.00 0.00 42.92 41.14 3ih9 s ASP 308 CO 0.37 -1.07 1.02 -0.83 -0.00 0.00 0.00 175.17 174.66 3ih9 s GLY 309 N 3.60 1.53 -0.31 0.21 0.00 -1.26 -4.73 107.32 106.35 3ih9 s GLY 309 Ca 0.11 -0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 3ih9 s GLY 309 CO 0.05 0.52 1.14 -0.35 0.00 0.00 0.00 173.10 174.46 3ih9 s ASP 310 N -2.61 -0.11 0.26 1.64 3.68 -1.26 -5.12 116.67 113.14 3ih9 s ASP 310 Ca 0.68 -0.09 0.11 0.00 2.13 0.00 0.00 52.55 55.38 3ih9 s ASP 310 Cb -0.24 0.14 -0.05 0.00 -1.45 0.00 0.00 42.92 41.32 3ih9 s ASP 310 CO 0.64 -0.01 -0.14 -0.44 0.13 0.00 0.00 175.17 175.35 3ih9 s SER 311 N 1.48 3.91 0.11 -0.34 0.01 -1.26 -5.04 113.70 112.56 3ih9 s SER 311 Ca 0.18 -0.86 -0.19 0.00 1.31 0.00 0.00 55.95 56.40 3ih9 s SER 311 Cb 0.10 -0.49 -0.06 0.00 0.21 0.00 0.00 66.02 65.78 3ih9 s SER 311 CO -0.14 0.05 1.65 0.25 0.41 0.00 0.00 173.24 175.45 3ih9 h LEU 312 N 2.34 0.37 0.00 2.44 5.85 -1.95 -3.47 115.31 120.88 3ih9 h LEU 312 Ca -0.43 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3ih9 h LEU 312 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3ih9 h LEU 312 CO 0.58 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.73 3ih9 n GLY 313 N -0.72 3.25 0.28 3.75 0.00 -1.26 -1.67 105.19 108.82 3ih9 n GLY 313 Ca -0.03 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.03 3ih9 n GLY 313 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ih9 h GLY 314 N 0.00 0.00 0.90 -0.02 0.00 -1.67 -2.86 103.07 99.43 3ih9 h GLY 314 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ih9 h GLY 314 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 3ih9 n THR 315 N -3.34 0.00 0.21 4.70 -1.04 -0.67 -0.60 114.28 113.53 3ih9 n THR 315 Ca -0.01 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.09 3ih9 n THR 315 Cb 0.25 -0.88 0.29 0.00 -1.82 0.00 0.00 70.33 68.18 3ih9 n THR 315 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ih9 h ALA 316 N 2.19 0.92 -2.08 2.41 0.00 -1.67 -3.39 119.26 117.63 3ih9 h ALA 316 Ca 0.00 -0.20 -0.69 0.00 0.00 0.00 0.00 54.91 54.02 3ih9 h ALA 316 Cb 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 17.57 3ih9 h ALA 316 CO 0.00 0.28 0.03 0.08 0.00 0.00 0.00 179.25 179.64 3ih9 s VAL 317 N -3.35 4.89 0.25 0.00 1.01 0.23 -0.76 120.40 122.67 3ih9 s VAL 317 Ca 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3ih9 s VAL 317 Cb 0.08 -4.32 0.08 0.00 0.00 0.00 0.00 36.38 32.22 3ih9 s VAL 317 CO 0.66 -0.84 1.71 -0.09 0.00 0.00 0.00 175.10 176.54 3ih9 h ARG 318 N 9.01 0.71 0.00 2.72 2.43 -0.66 -2.94 114.38 125.65 3ih9 h ARG 318 Ca -0.28 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3ih9 h ARG 318 Cb 1.09 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3ih9 h ARG 318 CO 0.98 0.81 0.00 1.97 -1.51 0.00 0.00 179.97 182.22 3ih9 n PHE 319 N -4.16 0.00 -3.89 2.20 -1.74 -1.23 -4.77 117.46 103.87 3ih9 n PHE 319 Ca 0.01 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.60 3ih9 n PHE 319 Cb 0.37 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.21 3ih9 n PHE 319 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3ih9 s VAL 320 N -2.00 1.41 -0.15 1.97 1.01 -1.26 -2.10 120.40 119.28 3ih9 s VAL 320 Ca 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 3ih9 s VAL 320 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3ih9 s VAL 320 CO 0.00 -0.28 0.11 -1.61 0.00 0.00 0.00 175.10 173.33 3ih9 s GLU 321 N 1.42 3.75 -0.86 2.72 2.02 -0.20 -4.78 118.70 122.76 3ih9 s GLU 321 Ca -0.00 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 3ih9 s GLU 321 Cb -0.18 -3.24 0.21 0.00 0.10 0.00 0.00 34.13 31.02 3ih9 s GLU 321 CO -0.10 0.53 0.75 -2.13 0.02 0.00 0.00 175.26 174.33 3ih9 n ARG 322 N 2.77 2.53 -0.29 1.61 3.00 -1.26 0.11 116.66 125.13 3ih9 n ARG 322 Ca -0.18 -4.49 0.03 0.00 -0.00 0.00 0.00 57.85 53.21 3ih9 n ARG 322 Cb 0.53 -2.39 0.17 0.00 0.00 0.00 0.00 32.46 30.77 3ih9 n ARG 322 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3ih9 h GLU 323 N 5.80 0.79 0.00 -0.14 4.57 -1.82 -3.47 114.58 120.31 3ih9 h GLU 323 Ca 0.16 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3ih9 h GLU 323 Cb 0.79 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3ih9 h GLU 323 CO 0.84 0.52 0.00 0.41 -1.18 0.00 0.00 179.01 179.61 3ih9 n GLY 324 N -1.32 -2.15 0.00 1.92 0.00 -1.26 -4.92 105.19 97.47 3ih9 n GLY 324 Ca 0.14 0.71 0.07 0.00 0.00 0.00 0.00 46.02 46.93 3ih9 n GLY 324 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ih9 n ASP 325 N -1.54 1.13 -4.20 1.61 4.64 -1.26 -4.68 116.55 112.25 3ih9 n ASP 325 Ca 0.00 -0.45 -0.21 0.00 -1.38 0.00 0.00 54.79 52.75 3ih9 n ASP 325 Cb 0.00 1.31 -0.13 0.00 -1.04 0.00 0.00 41.12 41.26 3ih9 n ASP 325 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ih9 s ARG 326 N -2.65 1.00 -0.06 -0.67 1.70 -1.26 -1.65 118.95 115.35 3ih9 s ARG 326 Ca 0.00 -0.96 0.01 0.00 -0.47 0.00 0.00 55.73 54.31 3ih9 s ARG 326 Cb 0.10 -1.09 -0.03 0.00 -0.57 0.00 0.00 34.95 33.36 3ih9 s ARG 326 CO 0.59 0.26 -0.05 0.08 -1.08 0.00 0.00 175.30 175.10 3ih9 s VAL 327 N -1.08 3.83 -0.35 4.99 1.01 -0.48 -2.17 120.40 126.15 3ih9 s VAL 327 Ca 0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3ih9 s VAL 327 Cb -0.09 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 33.75 3ih9 s VAL 327 CO 0.02 0.58 0.13 -0.36 0.00 0.00 0.00 175.10 175.48 3ih9 s PHE 328 N -0.84 3.27 -0.31 5.22 0.40 0.31 -0.95 117.98 125.08 3ih9 s PHE 328 Ca 0.13 -1.44 -0.07 0.00 -0.60 0.00 0.00 56.93 54.95 3ih9 s PHE 328 Cb -0.11 -2.39 0.01 0.00 0.51 0.00 0.00 43.02 41.04 3ih9 s PHE 328 CO 0.02 -0.75 0.09 -1.17 0.70 0.00 0.00 175.22 174.12 3ih9 s LEU 329 N 1.41 3.97 -0.09 -0.37 2.96 -0.56 -1.03 118.68 124.95 3ih9 s LEU 329 Ca -0.01 -0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 53.12 3ih9 s LEU 329 Cb -0.20 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3ih9 s LEU 329 CO 0.03 -0.22 0.02 -1.00 -1.32 0.00 0.00 176.35 173.86 3ih9 s HIS 330 N 1.50 3.21 0.35 5.38 3.76 -0.89 -1.93 115.29 126.67 3ih9 s HIS 330 Ca 0.02 0.23 0.09 0.00 -0.15 0.00 0.00 55.06 55.25 3ih9 s HIS 330 Cb -0.18 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.65 3ih9 s HIS 330 CO 0.03 0.49 0.02 -0.51 -0.85 0.00 0.00 174.74 173.92 3ih9 s LEU 331 N -0.88 2.98 0.20 0.89 1.43 -0.88 -0.05 118.68 122.38 3ih9 s LEU 331 Ca 0.13 -1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.00 3ih9 s LEU 331 Cb -0.11 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.81 3ih9 s LEU 331 CO 0.02 -0.26 0.76 0.00 0.23 0.00 0.00 176.35 177.10 3ih9 s GLN 332 N -3.72 1.48 0.55 1.70 -2.07 0.06 -3.80 119.66 113.86 3ih9 s GLN 332 Ca 0.35 -0.75 0.00 0.00 -1.82 0.00 0.00 55.36 53.14 3ih9 s GLN 332 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 3ih9 s GLN 332 CO 0.19 -0.67 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 3ih9 n GLY 333 N -0.43 -2.16 3.48 2.60 0.00 -1.13 -4.49 105.19 103.06 3ih9 n GLY 333 Ca -0.08 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3ih9 n GLY 333 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ih9 s VAL 334 N -0.48 4.33 -0.29 1.61 1.01 -1.26 -2.08 120.40 123.23 3ih9 s VAL 334 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 3ih9 s VAL 334 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.75 3ih9 s VAL 334 CO 0.00 -1.34 0.81 -0.63 0.00 0.00 0.00 175.10 173.94 3ih9 s ILE 335 N 4.08 4.79 0.00 2.22 1.01 -0.20 -4.82 121.20 128.28 3ih9 s ILE 335 Ca 0.26 1.28 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3ih9 s ILE 335 Cb -0.15 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3ih9 s ILE 335 CO 0.14 -0.23 0.00 0.54 0.00 0.00 0.00 174.94 175.39 3ih9 n ARG 336 N 6.20 2.22 -0.30 2.79 1.74 -1.26 -2.71 116.66 125.35 3ih9 n ARG 336 Ca 0.04 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 3ih9 n ARG 336 Cb 0.48 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.21 3ih9 n ARG 336 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3ih9 h PHE 337 N 0.34 0.58 0.08 -1.55 3.57 -1.95 0.19 116.94 118.21 3ih9 h PHE 337 Ca 0.00 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3ih9 h PHE 337 Cb 0.00 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3ih9 h PHE 337 CO 0.00 -0.06 -0.46 0.78 -2.23 0.00 0.00 178.31 176.34 3ih9 h GLY 338 N 0.37 -1.17 0.67 2.40 0.00 -1.95 0.14 103.07 103.54 3ih9 h GLY 338 Ca 0.54 0.64 -0.00 0.00 0.00 0.00 0.00 47.33 48.50 3ih9 h GLY 338 CO -0.53 -0.29 -0.00 -1.33 0.00 0.00 0.00 176.54 174.38 3ih9 h GLY 339 N -0.64 0.04 -0.20 4.60 0.00 -1.53 -2.97 103.07 102.38 3ih9 h GLY 339 Ca -0.00 -0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.48 3ih9 h GLY 339 CO -0.26 0.03 0.18 0.00 0.00 0.00 0.00 176.54 176.49 3ih9 h ALA 340 N 0.67 1.03 -0.33 3.60 0.00 -0.58 -0.09 119.26 123.55 3ih9 h ALA 340 Ca 0.01 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ih9 h ALA 340 Cb 0.35 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3ih9 h ALA 340 CO 0.00 -0.37 0.21 1.49 0.00 0.00 0.00 179.25 180.58 3ih9 h GLU 341 N 0.25 0.43 -0.16 0.00 4.22 -0.66 -1.30 114.58 117.35 3ih9 h GLU 341 Ca 0.45 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.83 3ih9 h GLU 341 Cb 0.82 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3ih9 h GLU 341 CO -0.56 0.28 -0.08 0.00 -2.18 0.00 0.00 179.01 176.47 3ih9 h ALA 342 N 1.13 1.56 -0.13 2.92 0.00 -0.93 -2.52 119.26 121.29 3ih9 h ALA 342 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ih9 h ALA 342 Cb -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ih9 h ALA 342 CO -0.03 0.32 -0.11 0.28 0.00 0.00 0.00 179.25 179.70 3ih9 h VAL 343 N 0.24 1.34 -0.81 0.00 2.07 -0.57 -2.30 116.25 116.21 3ih9 h VAL 343 Ca 0.05 -1.24 0.16 0.00 0.82 0.00 0.00 66.70 66.49 3ih9 h VAL 343 Cb 0.30 1.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.85 3ih9 h VAL 343 CO 0.02 0.36 0.37 -0.07 0.02 0.00 0.00 177.57 178.26 3ih9 h LEU 344 N -0.07 0.38 0.00 2.57 3.38 -0.84 0.12 115.31 120.86 3ih9 h LEU 344 Ca 0.02 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3ih9 h LEU 344 Cb 0.62 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3ih9 h LEU 344 CO 0.03 0.13 -0.24 -2.24 0.09 0.00 0.00 178.44 176.21 3ih9 h ASP 345 N 0.51 0.00 -0.46 -0.43 3.04 -1.49 -0.58 116.42 117.01 3ih9 h ASP 345 Ca 0.46 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 54.16 3ih9 h ASP 345 Cb 0.71 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.98 3ih9 h ASP 345 CO -0.41 0.16 -0.03 0.00 -2.04 0.00 0.00 179.24 176.92 3ih9 h ALA 346 N 1.84 0.62 0.42 4.15 0.00 -0.37 0.35 119.26 126.26 3ih9 h ALA 346 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3ih9 h ALA 346 Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3ih9 h ALA 346 CO 0.02 0.45 -0.20 -0.07 0.00 0.00 0.00 179.25 179.45 3ih9 h LEU 347 N 0.67 -0.47 -2.33 0.00 3.38 -0.73 -2.29 115.31 113.53 3ih9 h LEU 347 Ca 0.13 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ih9 h LEU 347 Cb 0.55 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ih9 h LEU 347 CO 0.03 -0.25 0.16 0.74 0.09 0.00 0.00 178.44 179.21 3ih9 h THR 348 N -0.68 0.39 0.00 0.22 2.02 -0.93 0.82 112.91 114.75 3ih9 h THR 348 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3ih9 h THR 348 Cb 0.49 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ih9 h THR 348 CO 0.09 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.45 3ih9 n ASP 349 N -3.66 0.00 -4.55 4.18 10.43 0.12 -4.55 116.55 118.52 3ih9 n ASP 349 Ca 0.00 -0.80 -0.35 0.00 2.57 0.00 0.00 54.79 56.20 3ih9 n ASP 349 Cb 0.26 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.11 3ih9 n ASP 349 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3ih9 s LEU 350 N -1.95 3.67 -0.98 0.64 1.43 0.28 -3.92 118.68 117.84 3ih9 s LEU 350 Ca 0.35 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.17 3ih9 s LEU 350 Cb 0.16 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3ih9 s LEU 350 CO 0.27 0.08 1.91 -0.13 0.23 0.00 0.00 176.35 178.71 3ih9 s ARG 351 N 0.95 2.63 -0.20 1.70 1.81 -1.26 -4.64 118.95 119.94 3ih9 s ARG 351 Ca 0.04 -0.58 0.16 0.00 -1.72 0.00 0.00 55.73 53.63 3ih9 s ARG 351 Cb -0.14 -5.13 0.62 0.00 -0.45 0.00 0.00 34.95 29.85 3ih9 s ARG 351 CO 0.03 -3.44 1.52 0.25 -0.68 0.00 0.00 175.30 172.98 3ih9 n THR 352 N 7.78 2.43 -3.75 0.02 -2.24 -1.26 -4.80 114.28 112.46 3ih9 n THR 352 Ca 0.41 -1.74 -0.06 0.00 -2.27 0.00 0.00 64.05 60.39 3ih9 n THR 352 Cb 0.47 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.46 3ih9 n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih9 n GLY 353 N -0.17 0.96 3.55 3.38 0.00 -1.26 -4.68 105.19 106.96 3ih9 n GLY 353 Ca 0.23 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 3ih9 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih9 s ALA 354 N -1.94 1.70 -1.02 4.61 0.00 -1.26 -4.80 121.76 119.06 3ih9 s ALA 354 Ca 0.16 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.57 3ih9 s ALA 354 Cb -0.04 -4.36 -0.24 0.00 0.00 0.00 0.00 23.12 18.48 3ih9 s ALA 354 CO 0.09 -4.44 2.07 -0.85 0.00 0.00 0.00 175.76 172.62 3ih9 n GLU 355 N 9.04 0.20 -2.60 0.00 0.28 -1.26 -4.66 120.64 121.65 3ih9 n GLU 355 Ca 0.33 -1.72 -0.29 0.00 -0.16 0.00 0.00 57.16 55.32 3ih9 n GLU 355 Cb 0.53 -3.83 -0.01 0.00 1.43 0.00 0.00 31.44 29.56 3ih9 n GLU 355 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3ih9 n LYS 356 N 8.13 3.44 -1.71 3.44 -0.00 -1.26 -5.08 118.16 125.13 3ih9 n LYS 356 Ca 0.42 -4.55 -0.38 0.00 -0.00 0.00 0.00 58.31 53.80 3ih9 n LYS 356 Cb 0.47 -2.26 0.06 0.00 -0.00 0.00 0.00 35.03 33.29 3ih9 n LYS 356 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3ih9 n PRO 357 N -0.38 1.27 -3.08 -1.58 -0.04 -1.26 -4.95 135.00 124.98 3ih9 n PRO 357 Ca 0.38 0.48 -0.45 0.00 -0.04 0.00 0.00 63.50 63.87 3ih9 n PRO 357 Cb 0.50 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 3ih9 n PRO 357 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ih9 s GLY 358 N -1.18 2.22 0.42 0.55 0.00 -1.26 -4.88 107.32 103.19 3ih9 s GLY 358 Ca 0.77 -2.99 0.38 0.00 0.00 0.00 0.00 44.72 42.88 3ih9 s GLY 358 CO 0.45 1.72 1.18 2.41 0.00 0.00 0.00 173.10 178.86 3ih9 n THR 359 N 4.90 -0.01 0.00 0.90 -1.04 -1.26 -4.68 114.28 113.09 3ih9 n THR 359 Ca 0.20 1.14 0.00 0.00 -2.04 0.00 0.00 64.05 63.35 3ih9 n THR 359 Cb 0.48 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 3ih9 n THR 359 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ih9 n GLY 360 N -1.69 2.05 2.99 3.41 0.00 -1.26 -4.92 105.19 105.77 3ih9 n GLY 360 Ca 0.34 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 3ih9 n GLY 360 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ih9 s TRP 361 N -0.58 0.70 -0.13 1.61 1.48 -1.26 -5.11 118.94 115.65 3ih9 s TRP 361 Ca 0.00 -0.14 -0.29 0.00 -1.06 0.00 0.00 56.10 54.61 3ih9 s TRP 361 Cb 0.00 -0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 31.81 3ih9 s TRP 361 CO 0.00 -0.03 1.53 0.34 -4.06 0.00 0.00 176.95 174.73 3ih9 s ASP 362 N -0.08 6.67 0.54 -2.66 -1.08 -1.26 -4.88 116.67 113.92 3ih9 s ASP 362 Ca 0.01 1.90 0.22 0.00 -0.52 0.00 0.00 52.55 54.16 3ih9 s ASP 362 Cb -0.04 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.35 3ih9 s ASP 362 CO -0.00 -0.97 2.17 0.00 0.52 0.00 0.00 175.17 176.88 3ih9 h ALA 363 N 9.47 1.73 -0.01 3.66 0.00 -1.99 0.07 119.26 132.19 3ih9 h ALA 363 Ca -0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3ih9 h ALA 363 Cb 1.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ih9 h ALA 363 CO 0.97 0.04 -0.35 0.00 0.00 0.00 0.00 179.25 179.91 3ih9 h ALA 364 N 1.97 1.41 0.06 0.00 0.00 -1.99 -2.92 119.26 117.79 3ih9 h ALA 364 Ca -0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 54.91 54.31 3ih9 h ALA 364 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ih9 h ALA 364 CO 0.00 0.44 -1.43 0.28 0.00 0.00 0.00 179.25 178.54 3ih9 h VAL 365 N 0.01 1.23 -2.24 0.00 2.07 -1.40 -3.39 116.25 112.53 3ih9 h VAL 365 Ca -0.00 -2.94 -0.59 0.00 0.82 0.00 0.00 66.70 63.99 3ih9 h VAL 365 Cb 0.62 2.70 -0.42 0.00 -1.52 0.00 0.00 31.29 32.67 3ih9 h VAL 365 CO 0.05 0.78 -0.63 -1.22 0.02 0.00 0.00 177.57 176.57 3ih9 n TYR 366 N -3.33 3.81 -0.31 1.57 4.02 -0.80 -4.91 117.16 117.21 3ih9 n TYR 366 Ca -0.12 -4.06 0.25 0.00 -0.01 0.00 0.00 57.90 53.96 3ih9 n TYR 366 Cb 1.02 -0.52 0.56 0.00 -0.02 0.00 0.00 39.34 40.38 3ih9 n TYR 366 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ih9 h PRO 367 N 3.47 0.30 -0.86 -0.72 0.13 -1.73 0.56 132.00 133.14 3ih9 h PRO 367 Ca 0.16 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 3ih9 h PRO 367 Cb 0.57 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 3ih9 h PRO 367 CO 0.82 0.20 0.48 0.00 -0.23 0.00 0.00 178.00 179.26 3ih9 h ARG 368 N 0.30 1.19 -0.35 0.86 3.08 -1.91 -2.20 114.38 115.36 3ih9 h ARG 368 Ca 0.58 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 60.36 3ih9 h ARG 368 Cb 1.64 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 3ih9 h ARG 368 CO -0.23 0.87 -0.33 -1.49 -1.07 0.00 0.00 179.97 177.72 3ih9 h TRP 369 N 1.20 0.90 -0.33 3.04 4.06 -1.28 -2.62 115.95 120.92 3ih9 h TRP 369 Ca 0.30 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3ih9 h TRP 369 Cb 0.02 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 3ih9 h TRP 369 CO 0.01 0.99 0.22 0.37 -3.56 0.00 0.00 178.44 176.47 3ih9 h GLN 370 N 0.64 0.43 0.00 0.49 5.75 -1.09 -0.92 115.11 120.41 3ih9 h GLN 370 Ca 0.07 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3ih9 h GLN 370 Cb 0.86 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.32 3ih9 h GLN 370 CO 0.08 0.29 0.00 0.39 -2.65 0.00 0.00 178.83 176.93 3ih9 n GLU 371 N -4.86 0.00 -0.41 1.69 1.02 -0.87 -1.69 120.64 115.52 3ih9 n GLU 371 Ca -0.01 0.46 0.34 0.00 -0.02 0.00 0.00 57.16 57.94 3ih9 n GLU 371 Cb 0.02 -1.41 0.62 0.00 -0.02 0.00 0.00 31.44 30.65 3ih9 n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ih9 h ALA 372 N -1.91 2.60 0.00 0.62 0.00 -1.49 1.62 119.26 120.70 3ih9 h ALA 372 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ih9 h ALA 372 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ih9 h ALA 372 CO 0.00 -1.20 -0.19 0.00 0.00 0.00 0.00 179.25 177.86 3ih9 h ALA 373 N 1.63 1.01 0.00 0.00 0.00 -1.00 -2.84 119.26 118.06 3ih9 h ALA 373 Ca 0.78 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3ih9 h ALA 373 Cb 2.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.11 3ih9 h ALA 373 CO -0.42 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3ih9 n ALA 374 N -2.20 2.13 -3.09 0.00 0.00 0.55 -3.39 120.51 114.52 3ih9 n ALA 374 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 3ih9 n ALA 374 Cb 0.42 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 3ih9 n ALA 374 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ih9 n ASP 375 N -0.65 -0.62 -0.41 0.00 -0.08 -1.07 -5.00 116.55 108.72 3ih9 n ASP 375 Ca 0.04 -2.83 0.36 0.00 -1.51 0.00 0.00 54.79 50.85 3ih9 n ASP 375 Cb 0.02 -0.02 0.69 0.00 2.34 0.00 0.00 41.12 44.15 3ih9 n ASP 375 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3ih9 h ARG 376 N 4.06 0.10 0.69 -0.67 3.08 -1.75 -2.48 114.38 117.40 3ih9 h ARG 376 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3ih9 h ARG 376 Cb 0.92 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.95 3ih9 h ARG 376 CO 0.42 0.06 -0.33 0.00 -1.07 0.00 0.00 179.97 179.05 3ih9 h ALA 377 N 1.42 -0.93 0.45 0.04 0.00 -1.92 -2.52 119.26 115.80 3ih9 h ALA 377 Ca 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 3ih9 h ALA 377 Cb 2.41 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 20.53 3ih9 h ALA 377 CO -0.15 -0.86 -0.49 0.00 0.00 0.00 0.00 179.25 177.76 3ih9 h ALA 378 N -1.25 -1.08 -1.01 0.00 0.00 -1.81 -1.89 119.26 112.22 3ih9 h ALA 378 Ca -0.09 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 54.90 3ih9 h ALA 378 Cb 0.71 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 3ih9 h ALA 378 CO 0.16 -1.15 0.67 1.25 0.00 0.00 0.00 179.25 180.18 3ih9 h LEU 379 N -0.95 0.35 -0.18 0.00 7.12 -1.64 -0.96 115.31 119.06 3ih9 h LEU 379 Ca -0.05 0.06 -0.22 0.00 0.13 0.00 0.00 57.88 57.80 3ih9 h LEU 379 Cb 0.84 -0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.98 3ih9 h LEU 379 CO -0.09 0.09 -0.76 -1.28 -0.13 0.00 0.00 178.44 176.27 3ih9 h SER 380 N 0.33 0.95 0.13 1.25 0.87 -0.95 -2.95 113.55 113.18 3ih9 h SER 380 Ca 0.55 -0.61 -0.15 0.00 -1.23 0.00 0.00 61.79 60.35 3ih9 h SER 380 Cb 1.52 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 3ih9 h SER 380 CO -0.21 1.41 -0.55 0.00 -0.53 0.00 0.00 176.83 176.94 3ih9 h ALA 381 N 0.57 0.76 0.00 6.23 0.00 -0.43 0.31 119.26 126.71 3ih9 h ALA 381 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ih9 h ALA 381 Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ih9 h ALA 381 CO 0.16 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.10 3ih9 n ALA 382 N -2.50 2.19 -0.85 0.00 0.00 -0.80 -3.51 120.51 115.05 3ih9 n ALA 382 Ca -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.31 3ih9 n ALA 382 Cb 0.60 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.68 3ih9 n ALA 382 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ih9 n THR 383 N -1.28 0.42 -3.23 0.00 -2.24 -0.86 -5.06 114.28 102.04 3ih9 n THR 383 Ca 0.11 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 3ih9 n THR 383 Cb 0.18 0.70 0.05 0.00 -2.10 0.00 0.00 70.33 69.17 3ih9 n THR 383 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih9 n GLY 384 N -0.25 -0.04 0.58 3.38 0.00 0.10 -4.93 105.19 104.03 3ih9 n GLY 384 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.03 3ih9 n GLY 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih9 n GLY 385 N -1.50 0.46 7.00 -0.02 0.00 -0.61 -2.59 105.19 107.93 3ih9 n GLY 385 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3ih9 n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih9 n GLY 386 N 1.01 3.37 0.83 -0.02 0.00 -1.26 -2.34 105.19 106.79 3ih9 n GLY 386 Ca 0.11 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.30 3ih9 n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih9 n ALA 387 N 10.99 2.86 -0.21 4.61 0.00 -1.11 -4.70 120.51 132.95 3ih9 n ALA 387 Ca 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 53.44 51.23 3ih9 n ALA 387 Cb 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 19.45 18.83 3ih9 n ALA 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ih9 h VAL 388 N 1.77 1.13 -0.51 0.00 2.07 -1.67 -2.21 116.25 116.83 3ih9 h VAL 388 Ca 0.00 -0.27 0.15 0.00 0.82 0.00 0.00 66.70 67.39 3ih9 h VAL 388 Cb 1.33 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3ih9 h VAL 388 CO 0.19 0.15 0.50 1.12 0.02 0.00 0.00 177.57 179.54 3ih9 h HIS 389 N 0.80 0.00 0.00 1.57 -0.00 -1.84 0.11 115.15 115.79 3ih9 h HIS 389 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 3ih9 h HIS 389 Cb -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3ih9 h HIS 389 CO -0.04 0.00 -0.03 0.93 -0.00 0.00 0.00 177.93 178.80 3ih9 h GLU 390 N 0.00 0.00 -0.41 5.12 5.08 -1.76 -1.99 114.58 120.63 3ih9 h GLU 390 Ca 0.24 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 3ih9 h GLU 390 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3ih9 h GLU 390 CO -0.00 0.03 -0.29 0.00 -1.00 0.00 0.00 179.01 177.75 3ih9 h ALA 391 N 1.97 0.58 0.00 3.43 0.00 -0.93 -2.12 119.26 122.20 3ih9 h ALA 391 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3ih9 h ALA 391 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ih9 h ALA 391 CO 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 3ih9 h ALA 392 N 0.80 1.19 -0.35 0.00 0.00 -1.49 -2.75 119.26 116.66 3ih9 h ALA 392 Ca 0.08 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3ih9 h ALA 392 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3ih9 h ALA 392 CO 0.08 0.41 -0.04 0.00 0.00 0.00 0.00 179.25 179.70 3ih9 h ALA 393 N 1.67 0.47 -0.42 0.00 0.00 -1.11 -2.87 119.26 117.00 3ih9 h ALA 393 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3ih9 h ALA 393 Cb 0.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ih9 h ALA 393 CO 0.04 0.28 0.19 0.00 0.00 0.00 0.00 179.25 179.76 3ih9 h ALA 394 N 0.83 1.54 0.00 0.00 0.00 -1.11 -0.71 119.26 119.81 3ih9 h ALA 394 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ih9 h ALA 394 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ih9 h ALA 394 CO 0.03 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3ih9 n ALA 395 N -2.47 2.47 0.57 0.00 0.00 -1.10 -2.91 120.51 117.06 3ih9 n ALA 395 Ca 0.03 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.44 3ih9 n ALA 395 Cb 0.13 -1.45 0.28 0.00 0.00 0.00 0.00 19.45 18.41 3ih9 n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih9 h ALA 396 N 3.57 0.81 -0.29 0.00 0.00 -0.92 -3.26 119.26 119.17 3ih9 h ALA 396 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ih9 h ALA 396 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ih9 h ALA 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3ih9 n ARG 397 N -2.26 2.85 -0.13 0.00 1.74 -1.15 -4.53 116.66 113.18 3ih9 n ARG 397 Ca 0.04 -1.55 -0.09 0.00 -0.77 0.00 0.00 57.85 55.48 3ih9 n ARG 397 Cb 0.44 -1.83 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 3ih9 n ARG 397 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3ih9 h ASP 398 N 2.01 -1.38 -0.02 0.55 -0.00 -1.79 0.65 116.42 116.43 3ih9 h ASP 398 Ca 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 57.03 57.20 3ih9 h ASP 398 Cb 1.17 0.61 0.00 0.00 -0.00 0.00 0.00 39.33 41.12 3ih9 h ASP 398 CO 0.22 -0.36 -0.15 -0.33 -0.00 0.00 0.00 179.24 178.62 3ih9 h GLU 399 N -0.31 0.14 -0.88 0.28 4.39 -1.90 -3.14 114.58 113.16 3ih9 h GLU 399 Ca 0.15 -0.12 0.20 0.00 0.34 0.00 0.00 59.36 59.92 3ih9 h GLU 399 Cb 0.58 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.14 3ih9 h GLU 399 CO -0.58 0.82 0.39 -0.91 -1.16 0.00 0.00 179.01 177.57 3ih9 h ASN 400 N -0.50 0.36 0.00 1.42 2.35 -1.81 -3.44 115.58 113.96 3ih9 h ASN 400 Ca -0.01 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ih9 h ASN 400 Cb 0.86 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.33 3ih9 h ASN 400 CO 0.03 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.33 3ih9 n ASP 401 N -5.01 0.00 0.00 5.81 8.00 0.22 -5.12 116.55 120.45 3ih9 n ASP 401 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3ih9 n ASP 401 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 3ih9 n ASP 401 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ih9 n GLY 402 N 5.00 6.46 3.83 0.44 0.00 -1.23 -4.81 105.19 114.88 3ih9 n GLY 402 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 3ih9 n GLY 402 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ih9 s PRO 403 N 1.32 3.66 -0.45 1.61 0.04 -1.26 -4.67 135.00 135.24 3ih9 s PRO 403 Ca 0.00 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 3ih9 s PRO 403 Cb 0.00 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3ih9 s PRO 403 CO 0.00 -0.52 1.19 0.42 0.04 0.00 0.00 177.00 178.13 3ih9 s ILE 404 N -2.61 4.16 -0.17 0.56 1.01 -1.26 -4.86 121.20 118.02 3ih9 s ILE 404 Ca 0.60 1.19 0.21 0.00 0.00 0.00 0.00 60.65 62.65 3ih9 s ILE 404 Cb -0.12 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.75 3ih9 s ILE 404 CO 0.36 -0.93 0.88 0.54 0.00 0.00 0.00 174.94 175.79 3ih9 n ARG 405 N 7.84 0.62 -3.84 2.79 1.74 -0.66 -4.86 116.66 120.28 3ih9 n ARG 405 Ca 0.13 0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 57.21 3ih9 n ARG 405 Cb 0.49 -1.78 -0.09 0.00 -1.02 0.00 0.00 32.46 30.06 3ih9 n ARG 405 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ih9 s THR 406 N -3.23 0.09 -0.07 0.55 2.01 -1.23 -1.22 115.64 112.54 3ih9 s THR 406 Ca -0.02 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 3ih9 s THR 406 Cb 0.10 -0.66 0.04 0.00 0.01 0.00 0.00 72.50 71.98 3ih9 s THR 406 CO 0.81 -0.41 0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 3ih9 s VAL 407 N -1.87 -0.15 -0.12 3.82 1.01 0.14 -1.38 120.40 121.84 3ih9 s VAL 407 Ca -0.11 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 3ih9 s VAL 407 Cb -0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 3ih9 s VAL 407 CO -0.00 0.12 0.29 -0.69 0.00 0.00 0.00 175.10 174.81 3ih9 s VAL 408 N 2.20 5.28 -0.41 2.92 1.01 -0.13 -2.57 120.40 128.71 3ih9 s VAL 408 Ca 0.04 0.55 -0.06 0.00 0.00 0.00 0.00 61.98 62.51 3ih9 s VAL 408 Cb -0.12 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.74 3ih9 s VAL 408 CO -0.05 0.46 0.23 -0.22 0.00 0.00 0.00 175.10 175.52 3ih9 s LEU 409 N -0.04 5.15 -0.18 3.92 0.20 0.51 -1.50 118.68 126.74 3ih9 s LEU 409 Ca 0.18 -1.74 -0.17 0.00 0.69 0.00 0.00 54.13 53.08 3ih9 s LEU 409 Cb -0.13 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 3ih9 s LEU 409 CO 0.06 -0.54 0.45 0.21 -0.29 0.00 0.00 176.35 176.24 3ih9 s ASN 410 N 2.02 6.53 0.00 3.68 3.84 -0.81 0.03 114.94 130.23 3ih9 s ASN 410 Ca 0.04 0.63 0.06 0.00 0.21 0.00 0.00 52.86 53.80 3ih9 s ASN 410 Cb -0.23 -2.26 0.13 0.00 -0.55 0.00 0.00 41.25 38.34 3ih9 s ASN 410 CO -0.01 -0.09 1.03 0.18 -2.79 0.00 0.00 177.10 175.42 3ih9 n LEU 411 N 4.39 2.25 -0.22 3.21 4.77 0.11 -2.07 117.00 129.44 3ih9 n LEU 411 Ca -0.07 -1.76 -0.00 0.00 -0.03 0.00 0.00 56.01 54.15 3ih9 n LEU 411 Cb 0.51 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3ih9 n LEU 411 CO 0.41 0.55 0.73 0.00 -1.33 0.00 0.00 177.39 177.75 3ih9 h ALA 412 N 1.10 0.43 0.00 -1.18 0.00 -1.85 -0.39 119.26 117.36 3ih9 h ALA 412 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ih9 h ALA 412 Cb 0.53 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ih9 h ALA 412 CO 0.00 -0.42 0.00 0.54 0.00 0.00 0.00 179.25 179.37 3ih9 n ARG 413 N -5.44 0.81 -3.08 0.00 5.12 -1.26 -4.80 116.66 108.02 3ih9 n ARG 413 Ca 0.08 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.60 3ih9 n ARG 413 Cb 0.33 -1.37 -0.05 0.00 -1.16 0.00 0.00 32.46 30.21 3ih9 n ARG 413 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ih9 s VAL 414 N -2.00 5.01 -0.10 1.55 1.01 -0.16 -2.82 120.40 122.90 3ih9 s VAL 414 Ca 0.29 1.40 -0.17 0.00 0.00 0.00 0.00 61.98 63.50 3ih9 s VAL 414 Cb 0.13 -4.02 -0.28 0.00 0.00 0.00 0.00 36.38 32.22 3ih9 s VAL 414 CO 0.22 0.29 0.61 0.44 0.00 0.00 0.00 175.10 176.66 3ih9 h ASP 415 N 6.51 0.38 -5.15 3.32 3.32 -1.73 -3.46 116.42 119.61 3ih9 h ASP 415 Ca -0.42 -0.86 -0.04 0.00 0.02 0.00 0.00 57.03 55.73 3ih9 h ASP 415 Cb 1.20 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.53 3ih9 h ASP 415 CO 0.74 1.57 -0.06 -0.13 -1.72 0.00 0.00 179.24 179.64 3ih9 s ARG 416 N -2.46 1.42 -0.22 3.56 0.52 -1.23 -5.00 118.95 115.54 3ih9 s ARG 416 Ca -0.19 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 53.88 3ih9 s ARG 416 Cb 0.04 0.49 0.08 0.00 0.52 0.00 0.00 34.95 36.08 3ih9 s ARG 416 CO 0.77 -0.59 0.51 0.42 0.02 0.00 0.00 175.30 176.42 3ih9 s ILE 417 N -3.94 -0.34 0.84 1.52 1.01 -1.26 -1.03 121.20 118.01 3ih9 s ILE 417 Ca 0.15 0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 3ih9 s ILE 417 Cb -0.01 -0.77 0.19 0.00 0.01 0.00 0.00 42.46 41.89 3ih9 s ILE 417 CO 0.02 0.03 1.15 -0.90 0.00 0.00 0.00 174.94 175.24 3ih9 n ASP 418 N 4.77 0.28 -0.04 3.58 3.85 -1.10 -4.81 116.55 123.08 3ih9 n ASP 418 Ca -0.17 -1.53 -0.11 0.00 -0.71 0.00 0.00 54.79 52.28 3ih9 n ASP 418 Cb 0.53 -0.86 -0.04 0.00 -1.35 0.00 0.00 41.12 39.40 3ih9 n ASP 418 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3ih9 h ASP 419 N -1.40 0.22 -0.68 -1.12 3.32 -1.99 -1.19 116.42 113.57 3ih9 h ASP 419 Ca -0.37 -0.09 0.13 0.00 0.02 0.00 0.00 57.03 56.72 3ih9 h ASP 419 Cb 1.07 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.48 3ih9 h ASP 419 CO 0.28 0.24 0.22 0.58 -1.72 0.00 0.00 179.24 178.85 3ih9 h VAL 420 N 0.18 0.65 -0.34 -1.35 2.07 -1.96 -0.41 116.25 115.10 3ih9 h VAL 420 Ca 0.06 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 3ih9 h VAL 420 Cb 0.07 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3ih9 h VAL 420 CO -0.01 0.07 -0.32 1.23 0.02 0.00 0.00 177.57 178.56 3ih9 h GLY 421 N 0.36 0.81 0.86 2.17 0.00 -1.77 -1.71 103.07 103.79 3ih9 h GLY 421 Ca 0.37 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3ih9 h GLY 421 CO -0.40 0.69 -0.06 3.21 0.00 0.00 0.00 176.54 179.97 3ih9 h ARG 422 N 0.63 -0.17 -0.90 4.80 3.08 -0.22 -2.01 114.38 119.59 3ih9 h ARG 422 Ca 0.07 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3ih9 h ARG 422 Cb 0.85 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 3ih9 h ARG 422 CO 0.07 0.01 0.58 0.00 -1.07 0.00 0.00 179.97 179.56 3ih9 h ARG 423 N -0.32 1.19 0.20 0.04 3.08 -1.10 -0.82 114.38 116.66 3ih9 h ARG 423 Ca -0.02 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ih9 h ARG 423 Cb 0.26 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3ih9 h ARG 423 CO 0.03 0.80 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.57 3ih9 h LEU 424 N 1.22 -0.23 -1.01 3.04 3.38 -1.21 -1.77 115.31 118.73 3ih9 h LEU 424 Ca 0.33 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3ih9 h LEU 424 Cb -0.12 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ih9 h LEU 424 CO -0.07 0.01 -0.30 0.40 0.09 0.00 0.00 178.44 178.57 3ih9 h ILE 425 N -0.46 1.27 0.03 1.22 2.04 -1.32 -1.50 117.51 118.79 3ih9 h ILE 425 Ca -0.03 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 3ih9 h ILE 425 Cb 0.35 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3ih9 h ILE 425 CO 0.04 0.40 -0.01 0.00 0.00 0.00 0.00 178.15 178.58 3ih9 h ALA 426 N 1.39 -0.04 0.00 1.87 0.00 -1.11 0.23 119.26 121.61 3ih9 h ALA 426 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ih9 h ALA 426 Cb 0.68 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ih9 h ALA 426 CO 0.05 -0.46 -0.03 1.49 0.00 0.00 0.00 179.25 180.31 3ih9 h GLU 427 N -0.17 0.00 -0.07 0.00 4.57 -1.14 -0.27 114.58 117.51 3ih9 h GLU 427 Ca -0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 3ih9 h GLU 427 Cb 0.16 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3ih9 h GLU 427 CO 0.01 0.03 -0.37 0.78 -1.18 0.00 0.00 179.01 178.28 3ih9 h GLY 428 N 0.31 0.40 0.89 1.92 0.00 -0.16 -2.86 103.07 103.57 3ih9 h GLY 428 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3ih9 h GLY 428 CO 0.00 0.52 0.07 -2.08 0.00 0.00 0.00 176.54 175.05 3ih9 h VAL 429 N -0.13 1.15 -0.99 4.60 2.07 0.34 -2.33 116.25 120.96 3ih9 h VAL 429 Ca -0.03 -0.45 0.18 0.00 0.82 0.00 0.00 66.70 67.23 3ih9 h VAL 429 Cb 1.03 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.83 3ih9 h VAL 429 CO 0.08 0.14 0.61 -0.09 0.02 0.00 0.00 177.57 178.33 3ih9 h ARG 430 N 0.13 0.74 0.00 1.57 2.43 -1.17 0.03 114.38 118.10 3ih9 h ARG 430 Ca 0.06 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ih9 h ARG 430 Cb 0.16 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3ih9 h ARG 430 CO -0.01 0.49 -0.05 0.00 -1.51 0.00 0.00 179.97 178.90 3ih9 h ARG 431 N 0.76 0.00 0.01 0.20 3.08 -1.23 -2.57 114.38 114.63 3ih9 h ARG 431 Ca 0.55 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.60 3ih9 h ARG 431 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3ih9 h ARG 431 CO -0.34 0.05 -0.00 -0.07 -1.07 0.00 0.00 179.97 178.54 3ih9 h LEU 432 N 0.00 -0.01 -1.10 3.04 3.38 -0.48 -3.15 115.31 116.99 3ih9 h LEU 432 Ca -0.00 -0.70 0.14 0.00 0.09 0.00 0.00 57.88 57.42 3ih9 h LEU 432 Cb 0.91 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 3ih9 h LEU 432 CO 0.01 0.70 0.61 1.56 0.09 0.00 0.00 178.44 181.41 3ih9 h GLN 433 N -0.73 0.82 0.00 1.13 4.20 -1.40 0.87 115.11 120.01 3ih9 h GLN 433 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3ih9 h GLN 433 Cb 0.71 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3ih9 h GLN 433 CO 0.00 0.54 0.07 0.00 -0.67 0.00 0.00 178.83 178.78 3ih9 h ALA 434 N 1.58 1.06 -0.54 3.87 0.00 -1.41 0.78 119.26 124.59 3ih9 h ALA 434 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3ih9 h ALA 434 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ih9 h ALA 434 CO -0.27 -0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.67 3ih9 n ASP 435 N -2.62 3.14 -0.88 0.00 8.00 0.30 -4.90 116.55 119.58 3ih9 n ASP 435 Ca -0.02 -2.07 -0.08 0.00 0.71 0.00 0.00 54.79 53.32 3ih9 n ASP 435 Cb 0.12 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 3ih9 n ASP 435 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ih9 n GLY 436 N 1.29 0.27 3.69 0.44 0.00 0.27 -4.92 105.19 106.22 3ih9 n GLY 436 Ca 0.19 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 3ih9 n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ih9 s VAL 437 N -2.39 4.61 0.10 1.61 1.01 -1.22 -4.96 120.40 119.16 3ih9 s VAL 437 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3ih9 s VAL 437 Cb 0.00 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 3ih9 s VAL 437 CO 0.00 0.56 1.01 -0.60 0.00 0.00 0.00 175.10 176.07 3ih9 s ARG 438 N -0.44 4.63 -0.16 2.72 3.52 -0.36 -4.02 118.95 124.83 3ih9 s ARG 438 Ca 0.09 1.53 -0.01 0.00 -0.13 0.00 0.00 55.73 57.21 3ih9 s ARG 438 Cb -0.12 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 29.94 3ih9 s ARG 438 CO 0.02 0.09 -0.05 0.08 -0.81 0.00 0.00 175.30 174.63 3ih9 s VAL 439 N 0.25 1.09 -0.18 7.11 1.01 -1.26 -0.69 120.40 127.73 3ih9 s VAL 439 Ca 0.49 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 3ih9 s VAL 439 Cb -0.25 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3ih9 s VAL 439 CO 0.30 0.15 -0.05 -1.83 0.00 0.00 0.00 175.10 173.67 3ih9 s GLU 440 N 1.65 3.51 -0.43 2.72 -1.05 -1.06 -5.00 118.70 119.03 3ih9 s GLU 440 Ca 0.01 -0.59 -0.20 0.00 -0.15 0.00 0.00 54.97 54.04 3ih9 s GLU 440 Cb -0.15 -2.92 0.02 0.00 -0.44 0.00 0.00 34.13 30.65 3ih9 s GLU 440 CO -0.08 0.05 0.62 0.08 0.95 0.00 0.00 175.26 176.88 3ih9 s VAL 441 N 0.84 4.86 -0.58 1.83 1.01 -1.26 -0.36 120.40 126.74 3ih9 s VAL 441 Ca -0.01 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 3ih9 s VAL 441 Cb -0.15 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.12 3ih9 s VAL 441 CO 0.01 -0.56 0.81 -1.61 0.00 0.00 0.00 175.10 173.76 3ih9 s GLU 442 N 2.73 3.15 -0.49 2.72 2.02 0.11 -4.94 118.70 123.99 3ih9 s GLU 442 Ca 0.21 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3ih9 s GLU 442 Cb -0.14 -4.16 0.16 0.00 0.10 0.00 0.00 34.13 30.08 3ih9 s GLU 442 CO 0.18 -1.53 0.35 0.34 0.02 0.00 0.00 175.26 174.62 3ih9 s ASP 443 N 3.22 2.87 0.07 -0.19 -1.08 -1.26 -0.71 116.67 119.59 3ih9 s ASP 443 Ca 0.20 -3.11 -0.26 0.00 -0.52 0.00 0.00 52.55 48.86 3ih9 s ASP 443 Cb -0.18 -0.86 -0.12 0.00 -1.46 0.00 0.00 42.92 40.30 3ih9 s ASP 443 CO 0.12 -0.18 1.41 1.55 0.52 0.00 0.00 175.17 178.58 3ih9 h PRO 444 N 5.91 -0.61 -2.63 4.34 0.13 -1.92 -3.08 132.00 134.14 3ih9 h PRO 444 Ca 0.16 0.04 -0.74 0.00 -0.87 0.00 0.00 66.00 64.60 3ih9 h PRO 444 Cb 0.88 0.14 -0.12 0.00 0.13 0.00 0.00 31.00 32.03 3ih9 h PRO 444 CO 0.47 -0.40 2.49 0.39 -0.23 0.00 0.00 178.00 180.72 3ih9 n GLU 445 N -4.66 4.56 -0.04 0.86 1.02 -1.26 -4.92 120.64 116.21 3ih9 n GLU 445 Ca -0.07 -3.41 0.00 0.00 -0.02 0.00 0.00 57.16 53.66 3ih9 n GLU 445 Cb 0.32 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 3ih9 n GLU 445 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ih9 n ARG 446 N 1.80 0.00 -0.10 3.49 1.74 -1.16 -4.81 116.66 117.61 3ih9 n ARG 446 Ca 0.63 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.47 3ih9 n ARG 446 Cb 0.24 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.57 3ih9 n ARG 446 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3ih9 n ILE 447 N 0.01 1.57 1.97 0.55 5.41 -1.26 -5.19 119.36 122.41 3ih9 n ILE 447 Ca 0.00 -0.33 0.16 0.00 1.00 0.00 0.00 62.75 63.57 3ih9 n ILE 447 Cb 0.00 -1.84 0.93 0.00 -0.71 0.00 0.00 39.64 38.02 3ih9 n ILE 447 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73