#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihy n LYS 2 N 0.00 -0.49 -3.54 1.43 5.02 -1.23 -4.57 118.16 114.79 1ihy n LYS 2 Ca 0.00 0.21 -0.37 0.00 -2.02 0.00 0.00 58.31 56.13 1ihy n LYS 2 Cb 0.00 -2.40 -0.06 0.00 -0.02 0.00 0.00 35.03 32.56 1ihy n LYS 2 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ihy s ILE 3 N -3.41 5.07 0.00 -0.18 1.01 -0.08 -1.83 121.20 121.79 1ihy s ILE 3 Ca 0.39 0.67 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1ihy s ILE 3 Cb -0.22 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1ihy s ILE 3 CO 0.96 0.47 -0.21 -0.83 0.00 0.00 0.00 174.94 175.32 1ihy s GLY 4 N -1.34 1.08 -0.11 6.18 0.00 0.28 -1.05 107.32 112.35 1ihy s GLY 4 Ca 0.27 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1ihy s GLY 4 CO 0.15 -0.84 -0.22 -0.42 0.00 0.00 0.00 173.10 171.77 1ihy s ILE 5 N -0.60 1.94 -0.31 0.90 1.01 -0.56 0.52 121.20 124.10 1ihy s ILE 5 Ca 0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1ihy s ILE 5 Cb -0.08 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.71 1ihy s ILE 5 CO 0.00 0.53 0.08 0.21 0.00 0.00 0.00 174.94 175.76 1ihy s ASN 6 N 0.59 5.17 0.00 3.58 3.04 -0.79 -1.05 114.94 125.48 1ihy s ASN 6 Ca -0.13 -0.89 0.00 0.00 0.04 0.00 0.00 52.86 51.88 1ihy s ASN 6 Cb -0.17 -1.87 0.00 0.00 -1.54 0.00 0.00 41.25 37.68 1ihy s ASN 6 CO 0.04 -0.24 0.00 0.61 -3.04 0.00 0.00 177.10 174.46 1ihy n GLY 7 N 4.84 2.39 2.43 1.21 0.00 0.60 -1.93 105.19 114.71 1ihy n GLY 7 Ca -0.14 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1ihy n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ihy n PHE 8 N 2.04 3.16 -1.10 1.61 7.35 -1.26 -4.21 117.46 125.04 1ihy n PHE 8 Ca 0.00 -2.74 0.00 0.00 -0.76 0.00 0.00 57.45 53.95 1ihy n PHE 8 Cb 0.00 -0.47 0.00 0.00 0.35 0.00 0.00 39.48 39.36 1ihy n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ihy n GLY 9 N -0.59 0.22 0.23 7.13 0.00 -1.26 -4.44 105.19 106.48 1ihy n GLY 9 Ca 0.45 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1ihy n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ihy h ARG 10 N 0.00 0.16 0.30 1.61 2.47 -1.95 0.70 114.38 117.67 1ihy h ARG 10 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1ihy h ARG 10 Cb 0.00 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1ihy h ARG 10 CO 0.00 0.11 -0.15 0.82 0.56 0.00 0.00 179.97 181.31 1ihy h ILE 11 N 0.17 0.51 -0.65 2.04 2.04 -1.92 -1.79 117.51 117.91 1ihy h ILE 11 Ca 0.31 -0.79 0.12 0.00 1.00 0.00 0.00 64.86 65.50 1ihy h ILE 11 Cb 0.49 0.82 -0.12 0.00 -0.74 0.00 0.00 36.82 37.26 1ihy h ILE 11 CO -0.47 0.12 -0.28 1.23 0.00 0.00 0.00 178.15 178.75 1ihy h GLY 12 N -0.94 0.12 0.95 5.37 0.00 -1.66 0.18 103.07 107.09 1ihy h GLY 12 Ca -0.04 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1ihy h GLY 12 CO 0.07 -0.23 -0.11 3.21 0.00 0.00 0.00 176.54 179.47 1ihy h ARG 13 N -0.10 -0.28 0.00 4.80 3.08 -0.93 -2.48 114.38 118.47 1ihy h ARG 13 Ca 0.28 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 1ihy h ARG 13 Cb 0.54 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1ihy h ARG 13 CO -0.71 -0.19 -0.20 -0.07 -1.07 0.00 0.00 179.97 177.73 1ihy h LEU 14 N -0.29 0.00 -0.26 3.04 3.38 -0.53 -1.20 115.31 119.45 1ihy h LEU 14 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1ihy h LEU 14 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ihy h LEU 14 CO 0.02 0.20 -0.13 0.58 0.09 0.00 0.00 178.44 179.21 1ihy h VAL 15 N 0.00 1.30 -0.74 1.22 2.07 -0.47 0.34 116.25 119.96 1ihy h VAL 15 Ca -0.00 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1ihy h VAL 15 Cb 0.37 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1ihy h VAL 15 CO 0.03 0.38 0.39 0.25 0.02 0.00 0.00 177.57 178.63 1ihy h LEU 16 N 0.28 0.94 -0.19 2.57 6.46 -1.04 0.44 115.31 124.76 1ihy h LEU 16 Ca 0.06 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1ihy h LEU 16 Cb 0.63 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1ihy h LEU 16 CO 0.04 0.78 0.09 -0.09 -0.62 0.00 0.00 178.44 178.64 1ihy h ARG 17 N 1.02 0.28 -0.61 1.25 2.43 -1.00 -2.19 114.38 115.56 1ihy h ARG 17 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1ihy h ARG 17 Cb 0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1ihy h ARG 17 CO -0.04 0.31 0.39 1.15 -1.51 0.00 0.00 179.97 180.28 1ihy h THR 18 N 0.18 1.16 -0.06 0.20 2.02 0.23 -2.44 112.91 114.20 1ihy h THR 18 Ca 0.07 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.96 1ihy h THR 18 Cb 0.13 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 1ihy h THR 18 CO -0.01 0.16 -0.45 0.00 0.37 0.00 0.00 175.52 175.60 1ihy h ALA 19 N 1.21 -0.70 -0.50 6.16 0.00 0.11 0.11 119.26 125.65 1ihy h ALA 19 Ca 0.22 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1ihy h ALA 19 Cb -0.07 0.81 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1ihy h ALA 19 CO -0.05 -0.98 0.03 -0.07 0.00 0.00 0.00 179.25 178.18 1ihy h LEU 20 N -0.56 -0.16 0.63 0.00 4.07 -1.19 0.17 115.31 118.27 1ihy h LEU 20 Ca 0.05 0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1ihy h LEU 20 Cb 0.66 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 1ihy h LEU 20 CO -0.37 -0.05 -0.41 -0.33 -1.08 0.00 0.00 178.44 176.20 1ihy h GLU 21 N 0.14 -0.96 0.00 1.13 4.39 -0.94 -2.65 114.58 115.70 1ihy h GLU 21 Ca 0.25 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1ihy h GLU 21 Cb 0.38 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1ihy h GLU 21 CO -0.40 -0.64 0.00 -1.33 -1.16 0.00 0.00 179.01 175.48 1ihy n MET 22 N -5.54 0.33 0.00 2.33 2.81 0.33 -4.88 117.12 112.49 1ihy n MET 22 Ca -0.13 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1ihy n MET 22 Cb 0.43 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1ihy n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ihy n GLY 23 N -0.14 1.81 3.65 3.03 0.00 0.52 -5.04 105.19 109.03 1ihy n GLY 23 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1ihy n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ihy s ALA 25 N -2.53 1.20 -0.23 4.61 0.00 -0.75 -4.94 121.76 119.12 1ihy s ALA 25 Ca 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.39 1ihy s ALA 25 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ihy s ALA 25 CO 0.00 -2.90 -0.03 -1.14 0.00 0.00 0.00 175.76 171.70 1ihy s GLN 26 N -4.63 3.32 -0.18 0.00 0.74 -1.26 -4.32 119.66 113.32 1ihy s GLN 26 Ca 0.67 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 55.36 1ihy s GLN 26 Cb -0.23 -3.06 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 1ihy s GLN 26 CO 0.59 -0.24 0.00 0.08 -0.55 0.00 0.00 175.29 175.17 1ihy s VAL 27 N 1.48 4.11 -0.02 1.34 1.01 -1.26 -0.90 120.40 126.15 1ihy s VAL 27 Ca 0.05 -0.27 0.12 0.00 0.00 0.00 0.00 61.98 61.89 1ihy s VAL 27 Cb -0.15 -2.84 -0.19 0.00 0.00 0.00 0.00 36.38 33.20 1ihy s VAL 27 CO -0.02 0.45 0.27 1.33 0.00 0.00 0.00 175.10 177.12 1ihy n VAL 28 N 3.92 0.01 -3.72 2.92 0.24 -0.21 -4.74 118.33 116.74 1ihy n VAL 28 Ca -0.17 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 1ihy n VAL 28 Cb 0.52 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.02 1ihy n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ihy s ALA 29 N -2.85 -0.84 0.00 2.33 0.00 -1.24 -1.70 121.76 117.46 1ihy s ALA 29 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1ihy s ALA 29 Cb 0.08 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1ihy s ALA 29 CO 0.51 -0.37 -0.01 0.08 0.00 0.00 0.00 175.76 175.97 1ihy s VAL 30 N -2.09 0.06 -0.04 0.00 1.01 -0.78 -1.49 120.40 117.06 1ihy s VAL 30 Ca -0.08 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1ihy s VAL 30 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.29 1ihy s VAL 30 CO -0.00 -0.03 -0.14 0.21 0.00 0.00 0.00 175.10 175.14 1ihy s ASN 31 N -0.14 1.86 -0.30 3.32 2.47 -0.21 -0.53 114.94 121.41 1ihy s ASN 31 Ca -0.01 -0.30 -0.12 0.00 0.42 0.00 0.00 52.86 52.84 1ihy s ASN 31 Cb -0.01 -0.58 0.17 0.00 -1.45 0.00 0.00 41.25 39.38 1ihy s ASN 31 CO -0.00 0.11 0.93 -0.62 -3.72 0.00 0.00 177.10 173.80 1ihy s ASP 32 N 0.19 -0.69 0.30 -4.21 -1.08 -0.73 -0.30 116.67 110.16 1ihy s ASP 32 Ca -0.06 0.73 0.26 0.00 -0.52 0.00 0.00 52.55 52.96 1ihy s ASP 32 Cb -0.12 1.70 0.75 0.00 -1.46 0.00 0.00 42.92 43.80 1ihy s ASP 32 CO 0.02 -0.13 1.74 1.55 0.52 0.00 0.00 175.17 178.87 1ihy h PRO 33 N 7.73 0.00 -0.16 4.34 0.13 -1.73 -3.33 132.00 138.97 1ihy h PRO 33 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ihy h PRO 33 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ihy h PRO 33 CO 0.06 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.02 1ihy n PHE 34 N -2.54 0.19 -3.89 1.56 3.01 -1.26 -4.89 117.46 109.64 1ihy n PHE 34 Ca 0.04 -0.11 -0.30 0.00 1.01 0.00 0.00 57.45 58.10 1ihy n PHE 34 Cb 0.42 -0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.73 1ihy n PHE 34 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1ihy s ILE 35 N -1.53 1.27 0.61 4.37 1.01 -1.25 -5.11 121.20 120.57 1ihy s ILE 35 Ca 0.28 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 1ihy s ILE 35 Cb 0.18 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1ihy s ILE 35 CO 0.26 -0.12 0.84 0.00 0.00 0.00 0.00 174.94 175.92 1ihy n ALA 36 N 4.77 -0.22 -0.11 9.38 0.00 -1.26 -4.74 120.51 128.32 1ihy n ALA 36 Ca -0.11 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1ihy n ALA 36 Cb 0.45 -2.03 0.45 0.00 0.00 0.00 0.00 19.45 18.32 1ihy n ALA 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ihy h LEU 37 N 0.32 0.46 -0.38 0.00 5.85 -1.99 -1.40 115.31 118.17 1ihy h LEU 37 Ca -0.48 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.07 1ihy h LEU 37 Cb 1.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1ihy h LEU 37 CO 0.49 0.29 -0.81 1.05 -0.34 0.00 0.00 178.44 179.12 1ihy h GLU 38 N 0.52 0.09 0.00 1.25 9.09 -2.00 -2.95 114.58 120.58 1ihy h GLU 38 Ca 0.29 -0.10 -0.07 0.00 0.05 0.00 0.00 59.36 59.53 1ihy h GLU 38 Cb 0.45 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1ihy h GLU 38 CO -0.09 0.85 -0.31 -0.92 0.05 0.00 0.00 179.01 178.59 1ihy h TYR 39 N 0.05 0.00 -0.35 2.06 3.20 -1.69 -3.15 116.97 117.10 1ihy h TYR 39 Ca -0.02 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1ihy h TYR 39 Cb 1.42 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 1ihy h TYR 39 CO 0.01 0.31 -0.12 0.52 -1.64 0.00 0.00 178.16 177.24 1ihy h MET 40 N 0.00 0.69 -0.44 1.82 2.86 -1.11 -0.44 114.93 118.31 1ihy h MET 40 Ca -0.00 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1ihy h MET 40 Cb 0.91 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1ihy h MET 40 CO 0.04 0.88 0.17 -0.39 1.06 0.00 0.00 176.91 178.66 1ihy h VAL 41 N 0.48 1.17 0.09 -2.22 -1.51 -1.53 -0.73 116.25 112.00 1ihy h VAL 41 Ca 0.08 -0.55 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1ihy h VAL 41 Cb 0.65 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1ihy h VAL 41 CO 0.04 0.21 -0.05 0.22 -1.23 0.00 0.00 177.57 176.77 1ihy h TYR 42 N 0.63 -0.12 0.00 5.19 5.03 -1.50 -0.29 116.97 125.92 1ihy h TYR 42 Ca 0.15 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1ihy h TYR 42 Cb 0.15 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.46 1ihy h TYR 42 CO 0.01 0.33 -0.06 0.52 -1.32 0.00 0.00 178.16 177.64 1ihy h MET 43 N -0.62 0.00 0.09 1.82 2.86 -0.89 -2.05 114.93 116.14 1ihy h MET 43 Ca -0.01 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 1ihy h MET 43 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1ihy h MET 43 CO 0.02 0.06 -1.27 0.35 1.06 0.00 0.00 176.91 177.13 1ihy h PHE 44 N 0.00 0.34 -0.16 -0.22 3.57 -1.09 -3.39 116.94 116.00 1ihy h PHE 44 Ca -0.00 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.25 1ihy h PHE 44 Cb 0.29 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1ihy h PHE 44 CO 0.00 1.50 0.09 -0.22 -2.23 0.00 0.00 178.31 177.45 1ihy h LYS 45 N -0.46 0.22 -5.36 1.11 3.64 -0.85 -3.42 116.57 111.45 1ihy h LYS 45 Ca -0.28 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.45 1ihy h LYS 45 Cb 1.63 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 33.27 1ihy h LYS 45 CO 0.02 0.20 -0.54 0.71 -2.27 0.00 0.00 179.45 177.57 1ihy s TYR 46 N -5.94 3.32 -0.15 1.91 1.51 -0.79 -0.33 117.35 116.88 1ihy s TYR 46 Ca -0.13 0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 1ihy s TYR 46 Cb 0.07 -2.06 0.07 0.00 -0.11 0.00 0.00 41.96 39.93 1ihy s TYR 46 CO 0.69 0.27 0.18 0.34 -1.11 0.00 0.00 175.55 175.92 1ihy s ASP 47 N 0.13 1.32 0.21 2.29 -1.08 -1.22 -4.70 116.67 113.62 1ihy s ASP 47 Ca 0.06 -0.09 -0.10 0.00 -0.52 0.00 0.00 52.55 51.91 1ihy s ASP 47 Cb -0.12 0.23 0.31 0.00 -1.46 0.00 0.00 42.92 41.88 1ihy s ASP 47 CO 0.00 -0.30 1.68 0.28 0.52 0.00 0.00 175.17 177.35 1ihy h SER 48 N 8.35 -0.16 0.16 -0.34 0.02 -1.98 0.10 113.55 119.70 1ihy h SER 48 Ca -0.15 0.14 -0.30 0.00 -0.84 0.00 0.00 61.79 60.64 1ihy h SER 48 Cb 1.14 0.23 0.03 0.00 0.14 0.00 0.00 62.40 63.94 1ihy h SER 48 CO 0.23 -0.07 -1.27 0.74 -1.14 0.00 0.00 176.83 175.32 1ihy h THR 49 N 0.17 1.30 -0.40 -2.27 2.02 -1.97 -3.38 112.91 108.39 1ihy h THR 49 Ca 0.33 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1ihy h THR 49 Cb 0.53 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1ihy h THR 49 CO -0.49 0.76 0.00 1.41 0.37 0.00 0.00 175.52 177.57 1ihy n HIS 50 N -3.81 0.79 -0.08 3.16 8.25 -1.16 -4.97 115.22 117.39 1ihy n HIS 50 Ca -0.15 -0.61 0.01 0.00 -0.26 0.00 0.00 57.72 56.71 1ihy n HIS 50 Cb 1.00 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.97 1ihy n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ihy n GLY 51 N 0.43 -1.78 3.75 -1.41 0.00 0.01 -4.90 105.19 101.30 1ihy n GLY 51 Ca 0.17 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 1ihy n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ihy s MET 52 N -1.77 4.73 0.18 1.61 1.00 -1.26 -3.37 119.30 120.42 1ihy s MET 52 Ca 0.00 1.63 -0.31 0.00 0.00 0.00 0.00 55.69 57.01 1ihy s MET 52 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 34.83 31.48 1ihy s MET 52 CO 0.00 0.31 1.44 0.12 0.00 0.00 0.00 175.02 176.89 1ihy s PHE 53 N -0.88 3.13 0.01 -0.03 2.19 0.55 -4.94 117.98 118.02 1ihy s PHE 53 Ca 0.44 0.93 -0.26 0.00 0.33 0.00 0.00 56.93 58.37 1ihy s PHE 53 Cb -0.28 -3.78 -0.15 0.00 -1.31 0.00 0.00 43.02 37.50 1ihy s PHE 53 CO 0.35 -2.67 1.15 0.87 1.83 0.00 0.00 175.22 176.75 1ihy h LYS 54 N 6.07 -0.69 0.00 10.12 6.56 -1.94 -3.46 116.57 133.23 1ihy h LYS 54 Ca -0.44 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1ihy h LYS 54 Cb 1.21 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 33.03 1ihy h LYS 54 CO 0.84 -0.38 0.00 0.41 -2.06 0.00 0.00 179.45 178.26 1ihy n GLY 55 N -0.48 -2.07 3.60 3.86 0.00 -1.26 -4.97 105.19 103.87 1ihy n GLY 55 Ca -0.11 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1ihy n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ihy s GLU 56 N -1.14 3.91 -0.06 1.61 -1.05 -1.26 -4.94 118.70 115.76 1ihy s GLU 56 Ca 0.00 -0.38 0.06 0.00 -0.15 0.00 0.00 54.97 54.50 1ihy s GLU 56 Cb 0.00 -3.16 -0.01 0.00 -0.44 0.00 0.00 34.13 30.52 1ihy s GLU 56 CO 0.00 0.26 -0.25 0.08 0.95 0.00 0.00 175.26 176.30 1ihy s VAL 57 N 0.40 2.08 -0.07 1.83 1.01 -1.26 -1.02 120.40 123.37 1ihy s VAL 57 Ca 0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1ihy s VAL 57 Cb -0.13 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 34.61 1ihy s VAL 57 CO 0.01 0.57 0.93 -1.59 0.00 0.00 0.00 175.10 175.02 1ihy s LYS 58 N -0.11 0.73 0.13 2.72 -2.85 -0.29 -5.01 119.74 115.06 1ihy s LYS 58 Ca -0.05 -0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 54.52 1ihy s LYS 58 Cb -0.14 0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 35.90 1ihy s LYS 58 CO 0.04 -0.29 0.84 0.08 0.10 0.00 0.00 175.35 176.12 1ihy s VAL 59 N -2.37 4.47 -0.39 1.79 1.01 -1.26 -0.18 120.40 123.47 1ihy s VAL 59 Ca 0.02 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1ihy s VAL 59 Cb -0.01 -4.20 0.16 0.00 0.00 0.00 0.00 36.38 32.33 1ihy s VAL 59 CO -0.05 0.42 0.33 -1.61 0.00 0.00 0.00 175.10 174.20 1ihy s GLU 60 N -0.53 0.77 -0.70 2.72 0.41 0.63 -4.90 118.70 117.10 1ihy s GLU 60 Ca 0.40 -1.64 -0.01 0.00 -0.41 0.00 0.00 54.97 53.31 1ihy s GLU 60 Cb -0.23 -1.19 -0.02 0.00 -1.78 0.00 0.00 34.13 30.91 1ihy s GLU 60 CO 0.27 -1.31 0.64 -0.25 -0.49 0.00 0.00 175.26 174.13 1ihy n ASP 61 N 3.40 -6.59 -1.13 -0.19 8.00 -1.26 -3.05 116.55 115.72 1ihy n ASP 61 Ca 0.21 -0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1ihy n ASP 61 Cb 0.45 -4.58 -0.06 0.00 -0.02 0.00 0.00 41.12 36.91 1ihy n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ihy n GLY 62 N -1.54 1.30 3.28 0.44 0.00 -1.26 -4.94 105.19 102.48 1ihy n GLY 62 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1ihy n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ihy s ALA 63 N -2.13 1.70 -0.21 4.61 0.00 -1.17 -3.95 121.76 120.61 1ihy s ALA 63 Ca 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.42 1ihy s ALA 63 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1ihy s ALA 63 CO 0.00 0.08 0.11 -1.17 0.00 0.00 0.00 175.76 174.77 1ihy s LEU 64 N -2.84 3.94 -0.20 0.00 2.96 0.00 -0.27 118.68 122.27 1ihy s LEU 64 Ca 0.15 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1ihy s LEU 64 Cb -0.03 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1ihy s LEU 64 CO 0.04 0.12 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.40 1ihy s VAL 65 N 0.74 2.94 -0.24 1.68 1.01 0.74 -0.12 120.40 127.15 1ihy s VAL 65 Ca 0.06 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ihy s VAL 65 Cb -0.13 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 34.00 1ihy s VAL 65 CO 0.02 0.46 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 1ihy s VAL 66 N 1.37 1.63 -1.41 2.92 1.01 -0.06 -1.14 120.40 124.73 1ihy s VAL 66 Ca 0.05 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 1ihy s VAL 66 Cb -0.14 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.42 1ihy s VAL 66 CO -0.06 -0.08 0.96 0.47 0.00 0.00 0.00 175.10 176.39 1ihy n ASP 67 N 4.63 -4.00 0.00 3.32 10.43 -0.19 -1.50 116.55 129.24 1ihy n ASP 67 Ca -0.12 -0.73 0.00 0.00 2.57 0.00 0.00 54.79 56.51 1ihy n ASP 67 Cb 0.44 -4.27 0.00 0.00 1.84 0.00 0.00 41.12 39.12 1ihy n ASP 67 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ihy n GLY 68 N -1.69 2.19 3.71 0.44 0.00 -1.26 -5.01 105.19 103.57 1ihy n GLY 68 Ca -0.08 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1ihy n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ihy n LYS 69 N 0.00 2.68 -3.54 1.61 4.01 -0.56 -4.97 118.16 117.39 1ihy n LYS 69 Ca 0.00 0.97 -0.40 0.00 -0.51 0.00 0.00 58.31 58.37 1ihy n LYS 69 Cb 0.00 -2.81 -0.11 0.00 -0.51 0.00 0.00 35.03 31.61 1ihy n LYS 69 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1ihy s LYS 70 N 1.21 3.47 -0.28 1.97 2.20 -1.26 -0.88 119.74 126.17 1ihy s LYS 70 Ca 0.76 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 55.66 1ihy s LYS 70 Cb -0.53 -3.79 0.02 0.00 -1.51 0.00 0.00 37.83 32.02 1ihy s LYS 70 CO 0.33 -0.44 0.04 0.42 -0.36 0.00 0.00 175.35 175.34 1ihy s ILE 71 N 1.71 3.61 0.28 5.43 1.01 0.83 -4.83 121.20 129.24 1ihy s ILE 71 Ca 0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1ihy s ILE 71 Cb -0.17 -2.87 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 1ihy s ILE 71 CO 0.10 0.10 1.02 0.42 0.00 0.00 0.00 174.94 176.58 1ihy s THR 72 N 1.44 3.80 -0.12 2.92 -4.23 -0.69 -0.82 115.64 117.94 1ihy s THR 72 Ca 0.01 1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 62.26 1ihy s THR 72 Cb -0.17 -4.09 -0.03 0.00 1.34 0.00 0.00 72.50 69.55 1ihy s THR 72 CO 0.00 0.37 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.70 1ihy s VAL 73 N -1.24 3.70 0.20 2.29 1.01 -1.25 -1.86 120.40 123.23 1ihy s VAL 73 Ca 0.45 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1ihy s VAL 73 Cb -0.28 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1ihy s VAL 73 CO 0.35 0.54 -0.10 -0.36 0.00 0.00 0.00 175.10 175.53 1ihy s PHE 74 N -0.11 2.59 -0.21 5.22 0.40 0.30 -4.98 117.98 121.19 1ihy s PHE 74 Ca 0.01 -0.24 0.13 0.00 -0.60 0.00 0.00 56.93 56.23 1ihy s PHE 74 Cb -0.13 -1.24 0.44 0.00 0.51 0.00 0.00 43.02 42.60 1ihy s PHE 74 CO 0.03 0.54 1.19 0.09 0.70 0.00 0.00 175.22 177.77 1ihy n ASN 75 N -0.10 2.60 -4.75 1.36 3.02 -1.26 -1.77 115.26 114.36 1ihy n ASN 75 Ca -0.10 -3.38 -0.41 0.00 -0.03 0.00 0.00 54.58 50.66 1ihy n ASN 75 Cb 0.56 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1ihy n ASN 75 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ihy s GLU 76 N -2.94 4.62 0.02 3.52 0.41 -1.26 -4.19 118.70 118.87 1ihy s GLU 76 Ca 0.40 1.77 0.03 0.00 -0.41 0.00 0.00 54.97 56.77 1ihy s GLU 76 Cb 0.38 -3.23 -0.25 0.00 -1.78 0.00 0.00 34.13 29.25 1ihy s GLU 76 CO -0.05 0.14 0.90 1.98 -0.49 0.00 0.00 175.26 177.74 1ihy h MET 77 N 4.45 0.12 -5.07 1.61 1.85 -1.97 -3.36 114.93 112.56 1ihy h MET 77 Ca -0.46 -0.21 -0.65 0.00 -0.61 0.00 0.00 59.70 57.77 1ihy h MET 77 Cb 1.21 0.08 -0.25 0.00 0.43 0.00 0.00 31.60 33.07 1ihy h MET 77 CO 0.70 0.93 -0.69 0.15 -0.40 0.00 0.00 176.91 177.60 1ihy s LYS 78 N -2.63 3.51 0.53 0.39 1.02 -1.26 -5.01 119.74 116.29 1ihy s LYS 78 Ca -0.06 -0.57 0.38 0.00 0.02 0.00 0.00 55.97 55.74 1ihy s LYS 78 Cb 0.08 -3.04 1.55 0.00 -0.52 0.00 0.00 37.83 35.89 1ihy s LYS 78 CO 0.83 -0.07 1.75 -1.00 -0.92 0.00 0.00 175.35 175.94 1ihy h PRO 79 N 7.75 0.03 -0.99 -1.68 0.13 -1.94 -1.04 132.00 134.27 1ihy h PRO 79 Ca -0.38 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 1ihy h PRO 79 Cb 1.17 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1ihy h PRO 79 CO 0.60 0.02 0.20 -0.85 -0.23 0.00 0.00 178.00 177.74 1ihy n GLU 80 N -4.19 1.48 0.00 0.86 0.00 -1.26 -3.08 120.64 114.45 1ihy n GLU 80 Ca 0.30 -0.98 0.00 0.00 0.00 0.00 0.00 57.16 56.47 1ihy n GLU 80 Cb 1.37 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 31.40 1ihy n GLU 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ihy n ASN 81 N -0.02 0.15 -4.65 -1.84 3.02 -0.39 -4.76 115.26 106.77 1ihy n ASN 81 Ca 0.19 -0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 1ihy n ASN 81 Cb 0.86 0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 40.37 1ihy n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ihy s ILE 82 N -0.40 3.92 -1.33 2.41 1.01 -1.18 -4.89 121.20 120.75 1ihy s ILE 82 Ca 0.00 1.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.65 1ihy s ILE 82 Cb 0.00 -3.77 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 1ihy s ILE 82 CO 0.00 -0.16 2.99 -0.81 0.00 0.00 0.00 174.94 176.96 1ihy n PRO 83 N 7.03 3.31 -0.18 2.79 -0.04 -1.26 -4.36 135.00 142.30 1ihy n PRO 83 Ca 0.16 -1.95 -0.05 0.00 -0.04 0.00 0.00 63.50 61.62 1ihy n PRO 83 Cb 0.44 -2.65 0.01 0.00 -0.04 0.00 0.00 33.50 31.26 1ihy n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1ihy h TRP 84 N 4.80 -0.83 -1.01 0.54 -0.00 -1.82 -0.98 115.95 116.64 1ihy h TRP 84 Ca 0.74 0.07 0.26 0.00 -0.00 0.00 0.00 58.89 59.96 1ihy h TRP 84 Cb 0.45 0.45 -0.13 0.00 -0.00 0.00 0.00 29.16 29.94 1ihy h TRP 84 CO 1.88 -0.37 0.60 0.66 -0.00 0.00 0.00 178.44 181.21 1ihy h SER 85 N -0.16 0.63 -0.23 -3.49 4.64 -1.58 -0.38 113.55 112.98 1ihy h SER 85 Ca 0.23 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1ihy h SER 85 Cb 0.54 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1ihy h SER 85 CO -0.64 0.06 0.15 0.11 -0.87 0.00 0.00 176.83 175.64 1ihy h LYS 86 N 0.53 0.30 0.00 4.77 1.79 -1.45 -0.26 116.57 122.24 1ihy h LYS 86 Ca 0.66 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 1ihy h LYS 86 Cb 1.33 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1ihy h LYS 86 CO -0.49 0.20 0.00 0.00 -1.08 0.00 0.00 179.45 178.08 1ihy n ALA 87 N -2.16 1.98 -1.71 3.86 0.00 -0.47 -4.88 120.51 117.13 1ihy n ALA 87 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ihy n ALA 87 Cb 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ihy n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ihy n GLY 88 N 0.70 0.37 3.63 0.00 0.00 -0.11 -4.83 105.19 104.96 1ihy n GLY 88 Ca 0.05 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1ihy n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ihy s ALA 89 N -2.00 3.60 -0.21 4.61 0.00 -0.72 -4.87 121.76 122.18 1ihy s ALA 89 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1ihy s ALA 89 Cb 0.00 -3.03 -0.13 0.00 0.00 0.00 0.00 23.12 19.96 1ihy s ALA 89 CO 0.00 -0.77 -0.19 0.39 0.00 0.00 0.00 175.76 175.19 1ihy n GLU 90 N 5.62 0.51 -3.57 0.00 1.02 -0.76 -4.23 120.64 119.22 1ihy n GLU 90 Ca -0.01 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.85 1ihy n GLU 90 Cb 0.49 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1ihy n GLU 90 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ihy s TYR 91 N -2.41 3.27 -0.17 -0.32 1.51 -0.90 -0.12 117.35 118.22 1ihy s TYR 91 Ca -0.28 -1.14 -0.15 0.00 -1.01 0.00 0.00 57.07 54.49 1ihy s TYR 91 Cb 0.08 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1ihy s TYR 91 CO 0.47 -0.73 0.35 0.42 -1.11 0.00 0.00 175.55 174.94 1ihy s ILE 92 N 1.52 5.26 -0.57 2.71 -1.09 -0.58 -0.56 121.20 127.90 1ihy s ILE 92 Ca 0.02 0.65 -0.19 0.00 -2.23 0.00 0.00 60.65 58.90 1ihy s ILE 92 Cb -0.21 -3.69 0.09 0.00 -1.58 0.00 0.00 42.46 37.07 1ihy s ILE 92 CO 0.05 0.33 0.69 -0.69 -1.23 0.00 0.00 174.94 174.10 1ihy s VAL 93 N 0.78 4.81 -0.75 2.92 1.01 0.19 -0.11 120.40 129.25 1ihy s VAL 93 Ca 0.18 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1ihy s VAL 93 Cb -0.14 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.83 1ihy s VAL 93 CO 0.06 -1.05 1.29 -0.70 0.00 0.00 0.00 175.10 174.71 1ihy s GLU 94 N 2.73 3.19 -0.16 2.72 -6.30 0.13 -1.89 118.70 119.12 1ihy s GLU 94 Ca 0.13 -0.25 0.15 0.00 -2.50 0.00 0.00 54.97 52.50 1ihy s GLU 94 Cb -0.22 -4.22 0.34 0.00 0.00 0.00 0.00 34.13 30.02 1ihy s GLU 94 CO 0.08 -2.16 1.18 -1.13 0.02 0.00 0.00 175.26 173.24 1ihy n SER 95 N 9.42 2.01 0.08 -1.70 3.41 -0.81 -1.38 113.62 124.65 1ihy n SER 95 Ca 0.04 -3.38 -0.09 0.00 -0.26 0.00 0.00 58.87 55.18 1ihy n SER 95 Cb 0.49 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1ihy n SER 95 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ihy h THR 96 N 0.69 1.51 0.00 6.66 1.35 -1.87 -3.43 112.91 117.82 1ihy h THR 96 Ca -0.00 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1ihy h THR 96 Cb 1.02 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1ihy h THR 96 CO 0.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1ihy n GLY 97 N 0.96 0.95 0.03 5.82 0.00 -1.26 -4.89 105.19 106.81 1ihy n GLY 97 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ihy n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ihy n VAL 98 N -2.00 0.43 -2.94 1.61 0.24 -1.26 -4.67 118.33 109.74 1ihy n VAL 98 Ca 0.00 -0.41 -0.36 0.00 -2.04 0.00 0.00 64.34 61.52 1ihy n VAL 98 Cb 0.00 -0.24 -0.01 0.00 -1.47 0.00 0.00 33.84 32.11 1ihy n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1ihy n PHE 99 N -2.21 3.05 1.19 6.34 3.72 -1.26 -4.80 117.46 123.49 1ihy n PHE 99 Ca -0.11 -3.15 0.13 0.00 -0.05 0.00 0.00 57.45 54.26 1ihy n PHE 99 Cb 0.63 -0.95 0.28 0.00 -0.94 0.00 0.00 39.48 38.50 1ihy n PHE 99 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ihy n THR 100 N 0.44 0.00 -4.08 4.37 -2.24 -1.26 -4.19 114.28 107.32 1ihy n THR 100 Ca 0.35 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.66 1ihy n THR 100 Cb 0.33 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 1ihy n THR 100 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ihy s THR 101 N -2.47 4.35 0.26 4.28 -4.23 -1.26 -4.33 115.64 112.24 1ihy s THR 101 Ca 0.23 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 1ihy s THR 101 Cb 0.19 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 71.21 1ihy s THR 101 CO 0.52 0.10 1.66 0.40 -0.54 0.00 0.00 174.62 176.76 1ihy h ILE 102 N 2.62 0.38 -0.03 2.99 2.04 -1.91 0.23 117.51 123.83 1ihy h ILE 102 Ca -0.47 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ihy h ILE 102 Cb 1.17 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1ihy h ILE 102 CO 0.64 0.04 -0.10 -0.33 0.00 0.00 0.00 178.15 178.40 1ihy h GLU 103 N 0.20 -0.10 0.00 2.37 4.39 -1.98 -2.19 114.58 117.28 1ihy h GLU 103 Ca 0.47 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.14 1ihy h GLU 103 Cb 0.88 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1ihy h GLU 103 CO -0.61 -0.06 -0.21 1.57 -1.16 0.00 0.00 179.01 178.53 1ihy h LYS 104 N -0.10 0.00 0.00 2.33 2.10 -1.81 -3.09 116.57 116.00 1ihy h LYS 104 Ca 0.01 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.61 1ihy h LYS 104 Cb 0.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1ihy h LYS 104 CO -0.08 0.21 -0.22 0.00 -2.00 0.00 0.00 179.45 177.37 1ihy h ALA 105 N 1.79 1.12 0.00 0.07 0.00 -0.46 -2.86 119.26 118.92 1ihy h ALA 105 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ihy h ALA 105 Cb 0.95 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ihy h ALA 105 CO 0.03 0.27 -0.04 0.77 0.00 0.00 0.00 179.25 180.28 1ihy h SER 106 N 0.00 0.00 -1.02 0.00 0.02 -1.31 -3.04 113.55 108.20 1ihy h SER 106 Ca -0.00 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 61.27 1ihy h SER 106 Cb 0.62 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.01 1ihy h SER 106 CO 0.03 0.04 0.59 0.00 -1.14 0.00 0.00 176.83 176.35 1ihy h ALA 107 N 1.96 2.00 -0.18 3.77 0.00 -1.69 0.40 119.26 125.52 1ihy h ALA 107 Ca -0.00 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1ihy h ALA 107 Cb 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ihy h ALA 107 CO 0.01 -0.61 0.23 0.45 0.00 0.00 0.00 179.25 179.33 1ihy h HIS 108 N 0.32 0.00 -0.33 0.00 3.86 -1.68 -2.07 115.15 115.25 1ihy h HIS 108 Ca 0.73 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.83 1ihy h HIS 108 Cb 1.70 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.16 1ihy h HIS 108 CO -0.01 0.00 -0.25 0.74 0.86 0.00 0.00 177.93 179.27 1ihy h PHE 109 N 0.00 0.75 0.00 2.45 0.04 -0.43 -2.28 116.94 117.47 1ihy h PHE 109 Ca 0.09 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1ihy h PHE 109 Cb 0.55 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1ihy h PHE 109 CO 0.00 0.84 0.00 1.17 -0.60 0.00 0.00 178.31 179.72 1ihy n LYS 110 N -4.11 0.17 0.00 1.51 0.00 -0.78 -0.99 118.16 113.96 1ihy n LYS 110 Ca -0.00 0.50 0.12 0.00 0.00 0.00 0.00 58.31 58.93 1ihy n LYS 110 Cb 0.43 -1.89 0.12 0.00 0.00 0.00 0.00 35.03 33.70 1ihy n LYS 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ihy n GLY 111 N -0.52 -0.04 0.00 3.14 0.00 -0.90 -4.94 105.19 101.93 1ihy n GLY 111 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ihy n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ihy n GLY 112 N 1.38 0.98 3.77 -0.02 0.00 -0.16 -2.00 105.19 109.15 1ihy n GLY 112 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1ihy n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ihy s ALA 113 N -2.00 2.89 -0.15 4.61 0.00 -0.97 -4.38 121.76 121.76 1ihy s ALA 113 Ca 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1ihy s ALA 113 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ihy s ALA 113 CO 0.00 -0.63 -0.18 1.17 0.00 0.00 0.00 175.76 176.12 1ihy n LYS 114 N -0.75 0.46 -4.30 0.00 3.00 0.83 -4.54 118.16 112.87 1ihy n LYS 114 Ca 0.09 0.51 -0.17 0.00 -0.00 0.00 0.00 58.31 58.73 1ihy n LYS 114 Cb 0.49 -1.68 -0.10 0.00 0.00 0.00 0.00 35.03 33.75 1ihy n LYS 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ihy s LYS 115 N -2.30 1.20 -0.07 1.64 -0.14 -0.82 -4.95 119.74 114.31 1ihy s LYS 115 Ca -0.16 -1.50 0.01 0.00 -1.36 0.00 0.00 55.97 52.96 1ihy s LYS 115 Cb 0.02 -0.91 0.02 0.00 -1.68 0.00 0.00 37.83 35.28 1ihy s LYS 115 CO 0.25 0.14 -0.09 0.08 -0.76 0.00 0.00 175.35 174.98 1ihy s VAL 116 N -3.02 0.90 -0.27 3.17 1.01 -0.47 -1.52 120.40 120.20 1ihy s VAL 116 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1ihy s VAL 116 Cb 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1ihy s VAL 116 CO 0.04 0.31 -0.01 -0.63 0.00 0.00 0.00 175.10 174.81 1ihy s ILE 117 N 0.96 3.19 -0.33 2.22 1.09 0.84 -0.98 121.20 128.18 1ihy s ILE 117 Ca -0.10 -1.01 -0.24 0.00 -1.10 0.00 0.00 60.65 58.21 1ihy s ILE 117 Cb -0.15 -2.67 0.01 0.00 -1.06 0.00 0.00 42.46 38.59 1ihy s ILE 117 CO 0.00 0.11 0.82 -0.63 -0.10 0.00 0.00 174.94 175.14 1ihy s ILE 118 N 1.36 4.73 -0.73 2.92 1.09 0.30 0.18 121.20 131.05 1ihy s ILE 118 Ca -0.00 1.13 -0.06 0.00 -1.10 0.00 0.00 60.65 60.61 1ihy s ILE 118 Cb -0.17 -4.21 -0.09 0.00 -1.06 0.00 0.00 42.46 36.93 1ihy s ILE 118 CO -0.02 -0.36 3.07 -1.54 -0.10 0.00 0.00 174.94 175.99 1ihy n SER 119 N 6.38 6.87 -3.61 3.58 3.41 -0.48 -1.93 113.62 127.84 1ihy n SER 119 Ca 0.04 -2.77 -0.02 0.00 -0.26 0.00 0.00 58.87 55.86 1ihy n SER 119 Cb 0.48 -1.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.01 1ihy n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ihy s ALA 120 N 0.33 -2.13 0.67 7.33 0.00 -1.21 -4.93 121.76 121.83 1ihy s ALA 120 Ca 0.64 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 1ihy s ALA 120 Cb 0.28 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.53 1ihy s ALA 120 CO -0.08 -0.81 1.26 -2.14 0.00 0.00 0.00 175.76 173.98 1ihy s PRO 121 N -2.46 2.43 0.05 0.00 0.02 -1.23 -4.16 135.00 129.65 1ihy s PRO 121 Ca 0.11 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.13 1ihy s PRO 121 Cb 0.02 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.67 1ihy s PRO 121 CO -0.04 -1.66 -0.15 0.45 -0.33 0.00 0.00 177.00 175.27 1ihy s SER 122 N -1.62 1.75 0.33 2.53 0.15 -1.26 -4.92 113.70 110.66 1ihy s SER 122 Ca 0.79 -0.51 0.17 0.00 0.70 0.00 0.00 55.95 57.11 1ihy s SER 122 Cb -0.34 -0.10 0.33 0.00 -1.71 0.00 0.00 66.02 64.20 1ihy s SER 122 CO 0.41 0.02 1.57 0.00 1.20 0.00 0.00 173.24 176.43 1ihy h ALA 123 N 4.75 0.80 0.00 5.45 0.00 -1.96 -3.39 119.26 124.91 1ihy h ALA 123 Ca -0.39 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1ihy h ALA 123 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ihy h ALA 123 CO 0.43 0.52 -0.00 -0.40 0.00 0.00 0.00 179.25 179.79 1ihy n ASP 124 N -3.30 0.02 -4.80 0.00 3.85 -1.26 -5.08 116.55 105.97 1ihy n ASP 124 Ca 0.01 -0.07 -0.36 0.00 -0.71 0.00 0.00 54.79 53.66 1ihy n ASP 124 Cb 0.64 0.15 -0.06 0.00 -1.35 0.00 0.00 41.12 40.49 1ihy n ASP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ihy s ALA 125 N -0.15 3.31 0.16 2.12 0.00 -1.26 -4.89 121.76 121.05 1ihy s ALA 125 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 51.96 51.96 1ihy s ALA 125 Cb 0.00 -2.99 -0.13 0.00 0.00 0.00 0.00 23.12 20.00 1ihy s ALA 125 CO 0.00 0.25 1.66 -2.30 0.00 0.00 0.00 175.76 175.38 1ihy n PRO 126 N 0.57 2.40 -3.84 0.00 -0.02 -1.26 -4.60 135.00 128.25 1ihy n PRO 126 Ca 0.00 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 1ihy n PRO 126 Cb 0.51 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.24 1ihy n PRO 126 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1ihy s MET 127 N 1.33 3.84 0.19 -0.52 -1.94 -1.26 0.13 119.30 121.07 1ihy s MET 127 Ca 0.79 -0.21 0.09 0.00 -1.71 0.00 0.00 55.69 54.65 1ihy s MET 127 Cb -0.61 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 32.90 1ihy s MET 127 CO 0.37 0.49 -0.18 -0.06 -0.01 0.00 0.00 175.02 175.63 1ihy s PHE 128 N -0.20 1.90 -0.19 -0.03 0.40 0.53 -4.78 117.98 115.61 1ihy s PHE 128 Ca 0.10 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1ihy s PHE 128 Cb -0.12 -0.92 0.07 0.00 0.51 0.00 0.00 43.02 42.57 1ihy s PHE 128 CO 0.01 0.39 0.12 0.08 0.70 0.00 0.00 175.22 176.52 1ihy s VAL 129 N -2.23 -0.14 0.15 -0.44 1.01 -1.26 -4.01 120.40 113.48 1ihy s VAL 129 Ca 0.19 -0.23 -0.34 0.00 0.00 0.00 0.00 61.98 61.60 1ihy s VAL 129 Cb -0.05 -0.65 -0.16 0.00 0.00 0.00 0.00 36.38 35.52 1ihy s VAL 129 CO 0.08 -0.33 1.20 0.00 0.00 0.00 0.00 175.10 176.06 1ihy n GLY 131 N 2.13 2.72 0.55 0.00 0.00 -1.26 -4.86 105.19 104.48 1ihy n GLY 131 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1ihy n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ihy n VAL 132 N -2.00 1.00 -2.65 1.61 0.31 0.07 -4.90 118.33 111.77 1ihy n VAL 132 Ca 0.00 -0.04 0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1ihy n VAL 132 Cb 0.00 -1.80 0.04 0.00 -0.91 0.00 0.00 33.84 31.17 1ihy n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ihy n ASN 133 N -3.77 1.37 0.24 4.52 6.94 -1.14 -4.87 115.26 118.55 1ihy n ASN 133 Ca -0.21 -2.07 0.11 0.00 -0.02 0.00 0.00 54.58 52.39 1ihy n ASN 133 Cb 0.55 -0.40 0.56 0.00 -2.36 0.00 0.00 39.78 38.14 1ihy n ASN 133 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1ihy h LEU 134 N 1.83 0.00 -2.30 -4.53 3.38 -1.92 -2.91 115.31 108.86 1ihy h LEU 134 Ca -0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1ihy h LEU 134 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1ihy h LEU 134 CO 0.15 0.18 -0.05 1.05 0.09 0.00 0.00 178.44 179.87 1ihy h GLU 135 N 0.00 0.00 0.00 1.13 9.09 -1.97 -2.33 114.58 120.50 1ihy h GLU 135 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ihy h GLU 135 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 1ihy h GLU 135 CO 0.02 0.05 0.00 1.63 0.05 0.00 0.00 179.01 180.76 1ihy n LYS 136 N -3.53 0.44 -2.73 1.06 5.02 -1.10 -4.85 118.16 112.48 1ihy n LYS 136 Ca -0.02 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1ihy n LYS 136 Cb 0.16 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1ihy n LYS 136 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ihy s TYR 137 N -2.43 3.56 0.00 2.13 5.04 -0.88 -5.08 117.35 119.70 1ihy s TYR 137 Ca 0.26 1.74 -0.05 0.00 -2.44 0.00 0.00 57.07 56.57 1ihy s TYR 137 Cb 0.16 -2.97 -0.00 0.00 0.35 0.00 0.00 41.96 39.50 1ihy s TYR 137 CO 0.34 -0.02 0.09 -1.54 -1.34 0.00 0.00 175.55 173.09 1ihy s SER 138 N -1.64 0.07 0.39 4.32 1.04 -1.26 -5.05 113.70 111.56 1ihy s SER 138 Ca 0.53 -0.25 0.18 0.00 0.48 0.00 0.00 55.95 56.89 1ihy s SER 138 Cb -0.19 0.18 1.11 0.00 0.10 0.00 0.00 66.02 67.22 1ihy s SER 138 CO 0.24 -0.33 1.74 0.11 0.98 0.00 0.00 173.24 175.98 1ihy h LYS 139 N 4.50 0.37 0.00 4.02 1.57 -1.94 -1.29 116.57 123.79 1ihy h LYS 139 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1ihy h LYS 139 Cb 1.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1ihy h LYS 139 CO 0.41 0.25 0.00 -0.40 -0.57 0.00 0.00 179.45 179.13 1ihy n ASP 140 N -4.69 0.26 -4.63 0.86 5.68 -1.26 -4.56 116.55 108.21 1ihy n ASP 140 Ca 0.27 0.61 -0.43 0.00 -0.50 0.00 0.00 54.79 54.74 1ihy n ASP 140 Cb 0.93 -0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 40.24 1ihy n ASP 140 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1ihy s MET 141 N -3.23 4.03 0.09 0.11 -1.94 -0.49 -4.89 119.30 112.99 1ihy s MET 141 Ca 0.00 1.01 0.20 0.00 -1.71 0.00 0.00 55.69 55.19 1ihy s MET 141 Cb 0.04 -3.75 -0.12 0.00 2.01 0.00 0.00 34.83 33.01 1ihy s MET 141 CO 0.14 -0.92 0.81 1.63 -0.01 0.00 0.00 175.02 176.67 1ihy n LYS 142 N 6.90 0.62 -3.83 2.03 4.76 -1.26 -4.86 118.16 122.53 1ihy n LYS 142 Ca 0.12 0.11 -0.22 0.00 -2.87 0.00 0.00 58.31 55.45 1ihy n LYS 142 Cb 0.47 -1.76 -0.17 0.00 -1.84 0.00 0.00 35.03 31.73 1ihy n LYS 142 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ihy s VAL 143 N -3.15 0.34 0.30 -0.18 1.01 -1.26 -1.36 120.40 116.10 1ihy s VAL 143 Ca -0.03 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1ihy s VAL 143 Cb 0.10 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1ihy s VAL 143 CO 0.82 0.24 0.06 0.68 0.00 0.00 0.00 175.10 176.90 1ihy s VAL 144 N 1.75 1.05 0.02 2.92 -7.23 -0.15 -4.13 120.40 114.63 1ihy s VAL 144 Ca 0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1ihy s VAL 144 Cb -0.13 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1ihy s VAL 144 CO -0.04 -0.03 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.03 1ihy s SER 145 N -3.44 1.71 -0.20 4.85 0.15 0.12 -0.54 113.70 116.35 1ihy s SER 145 Ca 0.36 -0.37 0.14 0.00 0.70 0.00 0.00 55.95 56.78 1ihy s SER 145 Cb 0.08 -0.15 0.75 0.00 -1.71 0.00 0.00 66.02 65.00 1ihy s SER 145 CO 0.15 0.10 1.65 -3.20 1.20 0.00 0.00 173.24 173.14 1ihy n ASN 146 N 2.28 5.28 0.00 5.45 4.05 -0.81 -0.35 115.26 131.16 1ihy n ASN 146 Ca -0.16 -2.80 0.00 0.00 0.45 0.00 0.00 54.58 52.07 1ihy n ASN 146 Cb 0.55 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 40.90 1ihy n ASN 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ihy n ALA 147 N 0.66 0.00 -2.58 5.20 0.00 -1.26 -4.77 120.51 117.77 1ihy n ALA 147 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.47 1ihy n ALA 147 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.47 1ihy n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ihy s SER 148 N -4.00 4.64 0.47 0.00 1.04 -1.26 -3.29 113.70 111.30 1ihy s SER 148 Ca 0.00 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 55.89 1ihy s SER 148 Cb 0.00 -0.79 1.17 0.00 0.10 0.00 0.00 66.02 66.50 1ihy s SER 148 CO 0.00 -0.18 1.97 0.00 0.98 0.00 0.00 173.24 176.01 1ihy h THR 150 N 0.26 1.30 -1.00 0.00 2.02 -1.96 -3.10 112.91 110.43 1ihy h THR 150 Ca 0.30 -2.49 0.02 0.00 0.77 0.00 0.00 66.41 65.00 1ihy h THR 150 Cb 0.80 2.70 -0.05 0.00 -1.74 0.00 0.00 68.15 69.85 1ihy h THR 150 CO -0.06 0.76 0.66 0.74 0.37 0.00 0.00 175.52 177.99 1ihy h THR 151 N 0.27 1.23 0.00 3.16 2.02 -1.73 0.57 112.91 118.44 1ihy h THR 151 Ca -0.18 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1ihy h THR 151 Cb 1.91 -0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1ihy h THR 151 CO 0.23 0.24 -0.02 0.78 0.37 0.00 0.00 175.52 177.13 1ihy h ASN 152 N 1.33 0.00 0.12 4.18 2.35 -1.41 0.15 115.58 122.30 1ihy h ASN 152 Ca 0.38 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.77 1ihy h ASN 152 Cb -0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1ihy h ASN 152 CO -0.09 0.02 -1.91 0.00 -1.65 0.00 0.00 177.43 173.80 1ihy h LEU 154 N -0.03 -0.04 -0.52 0.00 6.46 -0.52 -3.34 115.31 117.32 1ihy h LEU 154 Ca -0.41 -0.53 0.10 0.00 -0.12 0.00 0.00 57.88 56.92 1ihy h LEU 154 Cb 1.97 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 41.80 1ihy h LEU 154 CO 0.07 0.53 -0.24 0.00 -0.62 0.00 0.00 178.44 178.18 1ihy h ALA 155 N 0.31 0.13 -0.23 1.25 0.00 -0.95 0.15 119.26 119.91 1ihy h ALA 155 Ca -0.00 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ihy h ALA 155 Cb 0.57 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1ihy h ALA 155 CO 0.01 -0.57 -0.14 -1.35 0.00 0.00 0.00 179.25 177.21 1ihy h PRO 156 N -0.11 -0.11 -0.69 0.00 0.11 -1.76 0.14 132.00 129.57 1ihy h PRO 156 Ca 0.24 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1ihy h PRO 156 Cb 0.49 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1ihy h PRO 156 CO -0.60 -0.08 0.42 0.28 -0.21 0.00 0.00 178.00 177.81 1ihy h VAL 157 N -0.12 1.20 -0.32 3.15 2.07 -1.54 -2.41 116.25 118.28 1ihy h VAL 157 Ca 0.13 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1ihy h VAL 157 Cb 0.31 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ihy h VAL 157 CO -0.30 0.21 0.13 0.00 0.02 0.00 0.00 177.57 177.62 1ihy h ALA 158 N 1.22 0.41 -0.14 1.67 0.00 -0.45 -2.06 119.26 119.91 1ihy h ALA 158 Ca 0.25 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ihy h ALA 158 Cb -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1ihy h ALA 158 CO -0.05 0.01 -0.19 -0.22 0.00 0.00 0.00 179.25 178.80 1ihy h LYS 159 N 0.36 -0.22 -0.18 0.00 3.64 -0.51 0.25 116.57 119.91 1ihy h LYS 159 Ca 0.11 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1ihy h LYS 159 Cb 0.18 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1ihy h LYS 159 CO -0.01 -0.15 0.08 0.28 -2.27 0.00 0.00 179.45 177.39 1ihy h VAL 160 N -0.23 0.99 -0.30 2.00 2.07 -1.35 -0.66 116.25 118.77 1ihy h VAL 160 Ca 0.10 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1ihy h VAL 160 Cb 0.38 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1ihy h VAL 160 CO -0.28 0.03 0.19 -0.07 0.02 0.00 0.00 177.57 177.46 1ihy h LEU 161 N 0.18 0.31 -0.15 2.57 3.38 -1.06 -2.49 115.31 118.07 1ihy h LEU 161 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ihy h LEU 161 Cb 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ihy h LEU 161 CO -0.06 0.23 0.06 -0.74 0.09 0.00 0.00 178.44 178.02 1ihy h HIS 162 N 0.38 0.23 -0.32 1.13 2.76 -0.29 0.20 115.15 119.24 1ihy h HIS 162 Ca 0.11 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1ihy h HIS 162 Cb -0.02 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1ihy h HIS 162 CO -0.07 0.31 0.13 0.93 -1.30 0.00 0.00 177.93 177.93 1ihy h GLU 163 N 0.08 0.44 0.12 5.26 5.08 -1.10 0.19 114.58 124.66 1ihy h GLU 163 Ca 0.05 -0.05 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1ihy h GLU 163 Cb 0.18 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1ihy h GLU 163 CO -0.00 0.37 -1.93 -0.91 -1.00 0.00 0.00 179.01 175.54 1ihy h ASN 164 N 0.45 0.41 0.00 1.42 2.35 -1.32 -3.43 115.58 115.45 1ihy h ASN 164 Ca 0.11 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 1ihy h ASN 164 Cb 0.09 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1ihy h ASN 164 CO -0.01 1.83 0.00 0.49 -1.65 0.00 0.00 177.43 178.09 1ihy n PHE 165 N -3.56 0.00 -1.46 1.19 3.01 0.66 -4.97 117.46 112.35 1ihy n PHE 165 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 1ihy n PHE 165 Cb 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 1ihy n PHE 165 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1ihy n GLU 166 N -0.36 -2.57 -2.93 -1.08 2.13 0.66 -1.58 120.64 114.92 1ihy n GLU 166 Ca 0.00 2.10 -0.42 0.00 0.66 0.00 0.00 57.16 59.50 1ihy n GLU 166 Cb 0.04 -2.28 -0.05 0.00 0.27 0.00 0.00 31.44 29.42 1ihy n GLU 166 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ihy s ILE 167 N -0.27 4.74 -0.11 6.31 1.01 -1.26 -0.02 121.20 131.61 1ihy s ILE 167 Ca 0.00 1.07 -0.27 0.00 0.00 0.00 0.00 60.65 61.46 1ihy s ILE 167 Cb 0.00 -4.20 -0.23 0.00 0.01 0.00 0.00 42.46 38.04 1ihy s ILE 167 CO 0.00 -0.36 0.85 0.58 0.00 0.00 0.00 174.94 176.01 1ihy h VAL 168 N 5.69 1.58 -2.05 2.92 2.07 -1.27 -3.47 116.25 121.71 1ihy h VAL 168 Ca -0.24 -1.96 -0.05 0.00 0.82 0.00 0.00 66.70 65.28 1ihy h VAL 168 Cb 1.09 2.87 -0.19 0.00 -1.52 0.00 0.00 31.29 33.55 1ihy h VAL 168 CO 0.91 0.49 0.22 -1.83 0.02 0.00 0.00 177.57 177.38 1ihy s GLU 169 N -2.71 1.04 -0.11 1.57 -1.05 -1.20 -4.87 118.70 111.37 1ihy s GLU 169 Ca -0.17 0.19 -0.22 0.00 -0.15 0.00 0.00 54.97 54.62 1ihy s GLU 169 Cb -0.02 0.49 0.05 0.00 -0.44 0.00 0.00 34.13 34.22 1ihy s GLU 169 CO 0.65 -0.34 0.54 0.20 0.95 0.00 0.00 175.26 177.25 1ihy s GLY 170 N -1.32 -0.41 -0.09 -3.83 0.00 0.31 -0.95 107.32 101.03 1ihy s GLY 170 Ca -0.09 1.19 0.04 0.00 0.00 0.00 0.00 44.72 45.85 1ihy s GLY 170 CO 0.07 0.92 -0.22 1.08 0.00 0.00 0.00 173.10 174.96 1ihy s LEU 171 N -0.58 2.24 -0.04 0.66 1.43 -0.43 -2.61 118.68 119.35 1ihy s LEU 171 Ca -0.07 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1ihy s LEU 171 Cb -0.03 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 1ihy s LEU 171 CO 0.05 0.20 -0.18 -0.32 0.23 0.00 0.00 176.35 176.33 1ihy s MET 172 N 0.12 2.37 -0.05 1.70 -2.45 0.56 -1.79 119.30 119.77 1ihy s MET 172 Ca -0.11 -0.77 0.03 0.00 -1.25 0.00 0.00 55.69 53.59 1ihy s MET 172 Cb -0.16 -2.28 0.00 0.00 1.25 0.00 0.00 34.83 33.65 1ihy s MET 172 CO 0.06 0.60 -0.14 0.99 1.05 0.00 0.00 175.02 177.59 1ihy s THR 173 N -0.71 1.18 -0.19 10.11 2.01 0.29 -1.23 115.64 127.10 1ihy s THR 173 Ca 0.11 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1ihy s THR 173 Cb -0.10 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.38 1ihy s THR 173 CO 0.00 0.35 -0.17 0.28 -0.69 0.00 0.00 174.62 174.39 1ihy s THR 174 N 0.31 2.27 -0.62 -0.82 -1.32 -0.68 0.38 115.64 115.16 1ihy s THR 174 Ca -0.08 -0.90 -0.22 0.00 -1.21 0.00 0.00 61.69 59.29 1ihy s THR 174 Cb -0.12 -1.98 0.07 0.00 -1.51 0.00 0.00 72.50 68.96 1ihy s THR 174 CO 0.02 0.50 0.88 -0.69 -2.21 0.00 0.00 174.62 173.13 1ihy s VAL 175 N 1.31 4.47 -0.03 5.08 1.01 -0.80 -0.53 120.40 130.91 1ihy s VAL 175 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1ihy s VAL 175 Cb -0.13 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 1ihy s VAL 175 CO -0.11 -1.28 0.17 -2.28 0.00 0.00 0.00 175.10 171.59 1ihy s HIS 176 N 3.67 3.54 0.91 5.22 5.04 0.17 -2.28 115.29 131.56 1ihy s HIS 176 Ca 0.21 0.38 -0.12 0.00 -1.54 0.00 0.00 55.06 53.99 1ihy s HIS 176 Cb -0.18 -1.85 0.13 0.00 0.04 0.00 0.00 32.58 30.73 1ihy s HIS 176 CO 0.11 0.66 1.09 0.00 -2.34 0.00 0.00 174.74 174.26 1ihy s ALA 177 N -1.25 1.51 0.70 1.58 0.00 -1.26 -0.99 121.76 122.05 1ihy s ALA 177 Ca 0.24 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 1ihy s ALA 177 Cb -0.12 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1ihy s ALA 177 CO 0.15 -2.38 1.20 0.14 0.00 0.00 0.00 175.76 174.88 1ihy s VAL 178 N -2.98 2.42 0.35 0.00 -7.23 -0.32 -4.69 120.40 107.96 1ihy s VAL 178 Ca 0.64 0.22 0.09 0.00 -1.81 0.00 0.00 61.98 61.11 1ihy s VAL 178 Cb -0.18 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1ihy s VAL 178 CO 0.57 -0.10 0.07 0.42 -0.31 0.00 0.00 175.10 175.74 1ihy s THR 179 N -1.92 2.73 -0.16 5.32 -4.23 -1.26 -4.84 115.64 111.28 1ihy s THR 179 Ca 0.75 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 59.68 1ihy s THR 179 Cb -0.29 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 70.98 1ihy s THR 179 CO 0.43 -0.18 1.85 0.00 -0.54 0.00 0.00 174.62 176.18 1ihy h ALA 180 N 1.69 1.00 -0.19 3.99 0.00 -1.99 -2.71 119.26 121.05 1ihy h ALA 180 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ihy h ALA 180 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ihy h ALA 180 CO 0.66 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.16 1ihy n THR 181 N -2.58 0.24 -2.79 0.00 -2.24 -1.26 -4.91 114.28 100.74 1ihy n THR 181 Ca 0.01 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.24 1ihy n THR 181 Cb 0.21 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1ihy n THR 181 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ihy s GLN 182 N -1.76 2.39 -0.03 -0.78 -0.21 -1.02 -4.93 119.66 113.32 1ihy s GLN 182 Ca 0.30 -1.12 0.03 0.00 0.02 0.00 0.00 55.36 54.59 1ihy s GLN 182 Cb 0.16 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.59 1ihy s GLN 182 CO 0.24 -0.78 -0.10 0.15 -2.12 0.00 0.00 175.29 172.67 1ihy s LYS 183 N -4.72 2.53 0.38 2.91 -0.14 -1.25 -5.02 119.74 114.44 1ihy s LYS 183 Ca 0.59 -0.70 0.11 0.00 -1.36 0.00 0.00 55.97 54.61 1ihy s LYS 183 Cb -0.08 -2.45 0.77 0.00 -1.68 0.00 0.00 37.83 34.39 1ihy s LYS 183 CO 0.38 0.62 1.88 1.79 -0.76 0.00 0.00 175.35 179.27 1ihy h THR 184 N 4.07 1.20 -3.76 2.17 1.35 -1.92 0.41 112.91 116.43 1ihy h THR 184 Ca -0.48 -0.95 -0.10 0.00 -0.55 0.00 0.00 66.41 64.33 1ihy h THR 184 Cb 1.16 1.40 -0.16 0.00 -1.73 0.00 0.00 68.15 68.83 1ihy h THR 184 CO 0.52 0.28 -0.43 0.68 -0.25 0.00 0.00 175.52 176.32 1ihy s VAL 185 N -4.52 0.14 -0.49 6.82 -7.23 -1.26 -4.06 120.40 109.80 1ihy s VAL 185 Ca -0.04 -1.13 -0.45 0.00 -1.81 0.00 0.00 61.98 58.55 1ihy s VAL 185 Cb 0.15 -1.15 -0.19 0.00 0.56 0.00 0.00 36.38 35.75 1ihy s VAL 185 CO 0.73 -0.62 1.91 0.47 -0.31 0.00 0.00 175.10 177.28 1ihy n ASP 186 N 0.32 1.00 -3.36 4.85 10.43 -1.26 -4.34 116.55 124.21 1ihy n ASP 186 Ca -0.17 0.89 -0.14 0.00 2.57 0.00 0.00 54.79 57.95 1ihy n ASP 186 Cb 0.61 -0.90 -0.04 0.00 1.84 0.00 0.00 41.12 42.62 1ihy n ASP 186 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1ihy s GLY 187 N 4.73 1.37 -0.35 0.44 0.00 0.77 -4.92 107.32 109.37 1ihy s GLY 187 Ca 1.13 -1.45 -0.28 0.00 0.00 0.00 0.00 44.72 44.12 1ihy s GLY 187 CO 0.72 -0.97 1.86 2.56 0.00 0.00 0.00 173.10 177.28 1ihy s PRO 188 N -3.19 3.21 -0.47 2.90 0.04 -1.26 -4.51 135.00 131.73 1ihy s PRO 188 Ca 0.30 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.83 1ihy s PRO 188 Cb -0.00 -4.24 0.28 0.00 0.04 0.00 0.00 34.50 30.57 1ihy s PRO 188 CO 0.19 -2.00 0.66 0.45 0.04 0.00 0.00 177.00 176.33 1ihy n SER 189 N 10.82 1.64 -0.36 6.66 2.88 -1.26 -4.95 113.62 129.04 1ihy n SER 189 Ca 0.24 -3.04 0.37 0.00 -1.33 0.00 0.00 58.87 55.11 1ihy n SER 189 Cb 0.47 -0.64 0.75 0.00 -0.75 0.00 0.00 64.21 64.05 1ihy n SER 189 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ihy h ALA 190 N 3.76 3.20 0.18 -1.46 0.00 -1.94 0.76 119.26 123.76 1ihy h ALA 190 Ca 0.11 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1ihy h ALA 190 Cb 0.80 0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.72 1ihy h ALA 190 CO 0.60 -1.61 -1.09 0.87 0.00 0.00 0.00 179.25 178.02 1ihy h LYS 191 N 0.00 0.42 -2.99 0.00 1.57 -2.03 -3.41 116.57 110.13 1ihy h LYS 191 Ca 0.61 -0.69 -0.61 0.00 -1.87 0.00 0.00 60.65 58.09 1ihy h LYS 191 Cb 2.50 0.26 -0.40 0.00 0.08 0.00 0.00 32.23 34.67 1ihy h LYS 191 CO -0.01 1.33 -0.75 0.34 -0.57 0.00 0.00 179.45 179.79 1ihy s ASP 192 N -7.23 3.61 0.22 0.86 3.68 0.21 -5.02 116.67 112.99 1ihy s ASP 192 Ca -0.12 -2.50 -0.08 0.00 2.13 0.00 0.00 52.55 51.98 1ihy s ASP 192 Cb 0.02 -0.95 0.35 0.00 -1.45 0.00 0.00 42.92 40.89 1ihy s ASP 192 CO 0.88 -0.28 1.69 -0.50 0.13 0.00 0.00 175.17 177.09 1ihy h TRP 193 N 6.86 0.19 -0.10 -5.34 4.06 -1.66 -0.82 115.95 119.13 1ihy h TRP 193 Ca -0.01 0.04 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1ihy h TRP 193 Cb 0.94 0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 1ihy h TRP 193 CO 0.47 -0.07 -0.32 0.00 -3.56 0.00 0.00 178.44 174.96 1ihy h ARG 194 N 0.24 0.20 0.00 0.49 3.08 -1.91 -2.84 114.38 113.64 1ihy h ARG 194 Ca 0.35 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1ihy h ARG 194 Cb 0.56 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1ihy h ARG 194 CO -0.46 0.51 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1ihy n GLY 195 N -0.42 -0.83 0.83 0.04 0.00 -0.32 -2.00 105.19 102.49 1ihy n GLY 195 Ca -0.01 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1ihy n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ihy n GLY 196 N -0.57 0.76 3.78 -0.02 0.00 -1.07 -3.90 105.19 104.16 1ihy n GLY 196 Ca 0.02 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1ihy n GLY 196 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ihy s ARG 197 N -1.96 4.61 -0.41 1.61 1.81 -0.84 -0.16 118.95 123.61 1ihy s ARG 197 Ca 0.32 1.29 -0.37 0.00 -1.72 0.00 0.00 55.73 55.25 1ihy s ARG 197 Cb 0.20 -2.98 -0.16 0.00 -0.45 0.00 0.00 34.95 31.57 1ihy s ARG 197 CO 0.31 0.39 1.62 0.41 -0.68 0.00 0.00 175.30 177.35 1ihy n GLY 198 N 0.92 -0.04 0.19 -3.53 0.00 -1.26 -4.54 105.19 96.93 1ihy n GLY 198 Ca -0.00 0.89 0.06 0.00 0.00 0.00 0.00 46.02 46.97 1ihy n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ihy h ALA 199 N 6.42 1.01 -0.00 4.61 0.00 -1.05 -2.85 119.26 127.40 1ihy h ALA 199 Ca -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ihy h ALA 199 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ihy h ALA 199 CO 0.86 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 180.42 1ihy n ALA 200 N -2.29 2.74 -0.15 0.00 0.00 -1.26 -3.93 120.51 115.63 1ihy n ALA 200 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ihy n ALA 200 Cb 0.49 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ihy n ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ihy n GLN 201 N -1.19 1.68 -4.42 0.00 10.64 -1.19 -4.89 117.38 118.01 1ihy n GLN 201 Ca 0.12 -0.22 -0.22 0.00 -1.83 0.00 0.00 57.00 54.84 1ihy n GLN 201 Cb 0.29 -0.67 -0.10 0.00 -0.86 0.00 0.00 30.24 28.90 1ihy n GLN 201 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1ihy s ASN 202 N -0.30 3.20 -0.34 2.61 0.01 -1.08 -5.09 114.94 113.95 1ihy s ASN 202 Ca 0.00 -1.00 -0.09 0.00 -0.71 0.00 0.00 52.86 51.05 1ihy s ASN 202 Cb 0.00 -0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.44 1ihy s ASN 202 CO 0.00 -0.02 0.16 -0.63 -1.51 0.00 0.00 177.10 175.10 1ihy s ILE 203 N -2.56 4.38 -0.28 0.60 1.01 -1.26 -4.21 121.20 118.88 1ihy s ILE 203 Ca 0.26 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1ihy s ILE 203 Cb -0.04 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 1ihy s ILE 203 CO 0.12 -0.12 0.08 -0.63 0.00 0.00 0.00 174.94 174.39 1ihy s ILE 204 N 1.54 4.05 0.06 2.92 1.01 0.04 -4.89 121.20 125.93 1ihy s ILE 204 Ca 0.02 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.81 1ihy s ILE 204 Cb -0.18 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.19 1ihy s ILE 204 CO 0.05 0.15 1.34 -2.84 0.00 0.00 0.00 174.94 173.65 1ihy s PRO 205 N 1.53 4.34 0.34 2.79 0.02 -1.26 -0.09 135.00 142.66 1ihy s PRO 205 Ca 0.04 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.05 1ihy s PRO 205 Cb -0.17 -3.38 -0.05 0.00 0.02 0.00 0.00 34.50 30.92 1ihy s PRO 205 CO 0.03 -0.43 0.07 -1.12 -0.33 0.00 0.00 177.00 175.22 1ihy s SER 206 N 1.34 2.38 0.37 2.53 0.01 -0.17 -4.84 113.70 115.31 1ihy s SER 206 Ca 0.63 -1.44 0.07 0.00 1.31 0.00 0.00 55.95 56.52 1ihy s SER 206 Cb -0.33 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1ihy s SER 206 CO 0.29 -0.69 0.36 -0.94 0.41 0.00 0.00 173.24 172.67 1ihy s SER 207 N -3.50 5.30 -0.19 2.44 1.04 -1.26 -0.76 113.70 116.77 1ihy s SER 207 Ca 0.34 -0.55 -0.19 0.00 0.48 0.00 0.00 55.95 56.03 1ihy s SER 207 Cb 0.07 -0.83 0.05 0.00 0.10 0.00 0.00 66.02 65.41 1ihy s SER 207 CO 0.15 -0.50 0.54 0.28 0.98 0.00 0.00 173.24 174.69 1ihy s THR 208 N -2.35 0.00 -1.43 2.02 -1.32 -1.26 -4.59 115.64 106.71 1ihy s THR 208 Ca 0.45 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 61.14 1ihy s THR 208 Cb -0.06 -0.77 -0.00 0.00 -1.51 0.00 0.00 72.50 70.17 1ihy s THR 208 CO 0.28 -0.01 1.23 0.61 -2.21 0.00 0.00 174.62 174.51 1ihy n GLY 209 N 2.59 -0.71 0.30 6.08 0.00 -1.26 -4.55 105.19 107.64 1ihy n GLY 209 Ca -0.14 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 1ihy n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ihy n ALA 210 N -0.94 -0.46 0.01 4.61 0.00 -1.26 -0.27 120.51 122.21 1ihy n ALA 210 Ca 0.08 0.61 -0.10 0.00 0.00 0.00 0.00 53.44 54.03 1ihy n ALA 210 Cb 0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 1ihy n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ihy h ALA 211 N 0.26 -0.05 -0.74 0.00 0.00 -1.92 -1.12 119.26 115.68 1ihy h ALA 211 Ca 0.11 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1ihy h ALA 211 Cb 0.29 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1ihy h ALA 211 CO -0.67 -0.58 0.49 -0.22 0.00 0.00 0.00 179.25 178.27 1ihy h LYS 212 N -0.15 0.79 -0.32 0.00 3.64 -1.37 -0.63 116.57 118.54 1ihy h LYS 212 Ca 0.08 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1ihy h LYS 212 Cb 0.26 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1ihy h LYS 212 CO -0.19 0.52 -0.11 0.00 -2.27 0.00 0.00 179.45 177.40 1ihy h ALA 213 N 1.59 1.21 0.00 5.00 0.00 0.37 -1.17 119.26 126.26 1ihy h ALA 213 Ca 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ihy h ALA 213 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ihy h ALA 213 CO -0.10 0.51 -0.00 0.28 0.00 0.00 0.00 179.25 179.93 1ihy h VAL 214 N 0.50 0.08 0.00 0.00 2.07 0.07 0.26 116.25 119.23 1ihy h VAL 214 Ca 0.09 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ihy h VAL 214 Cb 0.49 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1ihy h VAL 214 CO 0.03 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.83 1ihy h GLY 215 N 0.09 0.00 0.79 2.17 0.00 -1.12 -1.00 103.07 104.01 1ihy h GLY 215 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1ihy h GLY 215 CO 0.00 0.00 -1.86 0.50 0.00 0.00 0.00 176.54 175.18 1ihy h LYS 216 N 0.00 0.30 0.00 4.80 6.56 -0.58 -3.24 116.57 124.41 1ihy h LYS 216 Ca -0.00 -0.51 -0.07 0.00 -1.06 0.00 0.00 60.65 59.01 1ihy h LYS 216 Cb 0.64 0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1ihy h LYS 216 CO 0.00 1.21 -0.34 -0.39 -2.06 0.00 0.00 179.45 177.87 1ihy h VAL 217 N 0.08 0.59 -2.70 0.50 -1.51 -1.46 -3.37 116.25 108.39 1ihy h VAL 217 Ca -0.37 -1.83 -0.60 0.00 -1.23 0.00 0.00 66.70 62.67 1ihy h VAL 217 Cb 2.06 2.28 -0.40 0.00 -2.13 0.00 0.00 31.29 33.11 1ihy h VAL 217 CO 0.13 0.34 -0.81 -0.63 -1.23 0.00 0.00 177.57 175.37 1ihy s ILE 218 N -3.05 1.30 0.29 7.19 1.01 -0.38 -4.73 121.20 122.83 1ihy s ILE 218 Ca 0.05 -3.10 -0.03 0.00 0.00 0.00 0.00 60.65 57.57 1ihy s ILE 218 Cb 0.07 -1.88 0.44 0.00 0.01 0.00 0.00 42.46 41.09 1ihy s ILE 218 CO 0.72 -1.10 1.55 -2.65 0.00 0.00 0.00 174.94 173.46 1ihy n PRO 219 N 2.73 -0.08 0.02 2.79 -0.02 -1.22 -1.18 135.00 138.04 1ihy n PRO 219 Ca 0.23 1.51 0.21 0.00 -2.02 0.00 0.00 63.50 63.43 1ihy n PRO 219 Cb 0.41 -2.33 0.73 0.00 -0.02 0.00 0.00 33.50 32.29 1ihy n PRO 219 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ihy h GLU 220 N 0.00 0.00 -0.01 -0.52 3.07 -1.94 0.56 114.58 115.74 1ihy h GLU 220 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1ihy h GLU 220 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1ihy h GLU 220 CO -0.97 0.00 -0.13 1.28 -1.40 0.00 0.00 179.01 177.79 1ihy n LEU 221 N -4.07 1.25 -4.68 1.33 4.77 -0.32 -4.91 117.00 110.36 1ihy n LEU 221 Ca 0.10 -0.38 -0.49 0.00 -0.03 0.00 0.00 56.01 55.21 1ihy n LEU 221 Cb 0.65 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1ihy n LEU 221 CO 0.33 0.22 1.46 -0.67 -1.33 0.00 0.00 177.39 177.40 1ihy n ASP 222 N -0.24 3.32 0.00 -1.43 2.03 0.19 -0.83 116.55 119.58 1ihy n ASP 222 Ca 0.16 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1ihy n ASP 222 Cb 0.35 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1ihy n ASP 222 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ihy n GLY 223 N 4.32 0.66 0.16 0.27 0.00 -1.26 -4.89 105.19 104.45 1ihy n GLY 223 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 1ihy n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ihy n LYS 224 N -2.64 2.55 -4.22 1.61 5.02 -0.01 -5.00 118.16 115.47 1ihy n LYS 224 Ca 0.00 -0.39 -0.17 0.00 -2.02 0.00 0.00 58.31 55.73 1ihy n LYS 224 Cb 0.00 -1.08 -0.11 0.00 -0.02 0.00 0.00 35.03 33.81 1ihy n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ihy s LEU 225 N -2.04 2.38 0.02 -0.35 1.43 -1.25 -0.53 118.68 118.33 1ihy s LEU 225 Ca 0.07 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 1ihy s LEU 225 Cb 0.09 -0.49 0.10 0.00 0.03 0.00 0.00 46.19 45.91 1ihy s LEU 225 CO 0.35 -0.16 1.02 0.28 0.23 0.00 0.00 176.35 178.08 1ihy s THR 226 N -2.06 0.00 -0.04 5.49 -1.32 -1.07 -4.32 115.64 112.32 1ihy s THR 226 Ca 0.06 -0.25 -0.21 0.00 -1.21 0.00 0.00 61.69 60.08 1ihy s THR 226 Cb -0.05 -1.47 0.07 0.00 -1.51 0.00 0.00 72.50 69.53 1ihy s THR 226 CO 0.02 0.00 0.95 0.61 -2.21 0.00 0.00 174.62 173.99 1ihy n GLY 227 N -0.33 0.26 3.28 6.08 0.00 -1.26 -0.32 105.19 112.90 1ihy n GLY 227 Ca -0.06 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 1ihy n GLY 227 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ihy n MET 228 N -0.69 0.47 -4.40 1.61 0.00 -0.36 -4.20 117.12 109.56 1ihy n MET 228 Ca 0.04 -3.27 -0.20 0.00 0.00 0.00 0.00 57.70 54.27 1ihy n MET 228 Cb 0.42 2.77 -0.10 0.00 0.00 0.00 0.00 33.22 36.30 1ihy n MET 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ihy s ALA 229 N -3.26 2.14 -0.06 3.17 0.00 0.06 -1.68 121.76 122.12 1ihy s ALA 229 Ca 0.38 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 1ihy s ALA 229 Cb 0.01 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1ihy s ALA 229 CO 0.27 -0.22 0.01 -0.06 0.00 0.00 0.00 175.76 175.76 1ihy s PHE 230 N -3.27 0.53 -0.23 0.00 0.08 0.31 -1.00 117.98 114.40 1ihy s PHE 230 Ca 0.31 -0.08 -0.17 0.00 0.12 0.00 0.00 56.93 57.11 1ihy s PHE 230 Cb 0.06 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 1ihy s PHE 230 CO 0.12 -0.27 0.48 1.03 -0.10 0.00 0.00 175.22 176.47 1ihy s ARG 231 N 1.82 4.13 0.24 0.44 1.81 0.86 0.43 118.95 128.69 1ihy s ARG 231 Ca 0.02 0.30 0.11 0.00 -1.72 0.00 0.00 55.73 54.44 1ihy s ARG 231 Cb -0.12 -3.60 -0.05 0.00 -0.45 0.00 0.00 34.95 30.73 1ihy s ARG 231 CO -0.04 -0.21 -0.18 0.14 -0.68 0.00 0.00 175.30 174.33 1ihy s VAL 232 N 1.84 2.62 -0.65 3.52 -7.23 -0.16 -0.78 120.40 119.57 1ihy s VAL 232 Ca 0.21 -2.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1ihy s VAL 232 Cb -0.15 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 1ihy s VAL 232 CO 0.09 -0.28 2.04 -0.81 -0.31 0.00 0.00 175.10 175.83 1ihy n PRO 233 N -0.31 1.72 -5.04 4.82 -0.04 -1.26 -3.11 135.00 131.77 1ihy n PRO 233 Ca -0.08 -1.18 -0.29 0.00 -0.04 0.00 0.00 63.50 61.90 1ihy n PRO 233 Cb 0.58 -2.26 -0.15 0.00 -0.04 0.00 0.00 33.50 31.63 1ihy n PRO 233 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ihy s THR 234 N 3.17 1.97 0.36 0.52 -4.23 -1.26 -4.98 115.64 111.19 1ihy s THR 234 Ca 0.36 -1.18 0.13 0.00 -1.18 0.00 0.00 61.69 59.82 1ihy s THR 234 Cb 0.11 -1.66 0.08 0.00 1.34 0.00 0.00 72.50 72.37 1ihy s THR 234 CO -0.02 0.44 1.81 1.55 -0.54 0.00 0.00 174.62 177.85 1ihy h PRO 235 N 5.20 0.00 -2.98 3.99 0.13 -1.91 -0.83 132.00 135.60 1ihy h PRO 235 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ihy h PRO 235 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 1ihy h PRO 235 CO 0.46 0.39 0.22 1.21 -0.23 0.00 0.00 178.00 180.05 1ihy s ASN 236 N -6.90 -0.47 0.02 1.44 2.47 -1.26 -4.60 114.94 105.64 1ihy s ASN 236 Ca -0.03 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.07 1ihy s ASN 236 Cb 0.14 0.63 0.00 0.00 -1.45 0.00 0.00 41.25 40.57 1ihy s ASN 236 CO 0.73 -1.08 0.00 0.52 -3.72 0.00 0.00 177.10 173.55 1ihy n VAL 237 N -0.40 -2.14 -4.46 -5.21 0.31 -1.26 -4.87 118.33 100.29 1ihy n VAL 237 Ca -0.13 0.24 -0.22 0.00 -0.01 0.00 0.00 64.34 64.22 1ihy n VAL 237 Cb 0.63 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.72 1ihy n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ihy s SER 238 N -0.57 2.90 0.01 4.52 0.01 -0.16 -4.14 113.70 116.27 1ihy s SER 238 Ca 0.00 -1.22 0.03 0.00 1.31 0.00 0.00 55.95 56.07 1ihy s SER 238 Cb 0.00 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1ihy s SER 238 CO 0.00 -0.36 -0.11 0.54 0.41 0.00 0.00 173.24 173.72 1ihy s VAL 239 N -2.98 0.84 -0.19 3.43 0.11 -0.97 -1.56 120.40 119.09 1ihy s VAL 239 Ca 0.31 -0.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.63 1ihy s VAL 239 Cb 0.04 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1ihy s VAL 239 CO 0.13 0.08 0.02 -0.69 -3.33 0.00 0.00 175.10 171.31 1ihy s VAL 240 N -0.56 4.26 -0.43 2.04 1.01 0.80 -1.91 120.40 125.62 1ihy s VAL 240 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1ihy s VAL 240 Cb -0.06 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.50 1ihy s VAL 240 CO 0.00 0.44 0.27 -0.62 0.00 0.00 0.00 175.10 175.19 1ihy s ASP 241 N 0.72 5.54 -0.30 3.32 3.68 0.16 -1.73 116.67 128.07 1ihy s ASP 241 Ca 0.01 -1.80 -0.08 0.00 2.13 0.00 0.00 52.55 52.81 1ihy s ASP 241 Cb -0.14 -1.95 -0.00 0.00 -1.45 0.00 0.00 42.92 39.38 1ihy s ASP 241 CO 0.02 -0.59 0.11 -0.22 0.13 0.00 0.00 175.17 174.62 1ihy s LEU 242 N 1.32 3.91 -0.23 -1.34 2.96 -0.41 -0.55 118.68 124.33 1ihy s LEU 242 Ca 0.05 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 1ihy s LEU 242 Cb -0.24 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1ihy s LEU 242 CO -0.01 -0.17 0.09 -0.89 -1.32 0.00 0.00 176.35 174.06 1ihy s THR 243 N 1.57 4.67 0.03 3.68 2.01 -0.74 -0.46 115.64 126.40 1ihy s THR 243 Ca 0.04 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 1ihy s THR 243 Cb -0.17 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1ihy s THR 243 CO 0.04 0.36 -0.03 0.54 -0.69 0.00 0.00 174.62 174.84 1ihy s VAL 244 N 1.25 0.16 -0.29 3.82 0.11 -0.26 -1.32 120.40 123.86 1ihy s VAL 244 Ca 0.05 -1.11 -0.06 0.00 -2.93 0.00 0.00 61.98 57.93 1ihy s VAL 244 Cb -0.14 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1ihy s VAL 244 CO 0.04 -0.60 0.07 -0.60 -3.33 0.00 0.00 175.10 170.68 1ihy s ARG 245 N -2.00 3.05 0.41 1.54 3.52 -0.13 -2.21 118.95 123.15 1ihy s ARG 245 Ca -0.11 -0.88 -0.08 0.00 -0.13 0.00 0.00 55.73 54.53 1ihy s ARG 245 Cb -0.06 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 1ihy s ARG 245 CO -0.03 -0.45 0.75 -0.51 -0.81 0.00 0.00 175.30 174.25 1ihy s LEU 246 N 1.48 3.80 0.03 -0.88 1.43 0.37 -0.81 118.68 124.10 1ihy s LEU 246 Ca 0.02 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1ihy s LEU 246 Cb -0.17 -3.91 -0.25 0.00 0.03 0.00 0.00 46.19 41.88 1ihy s LEU 246 CO 0.02 -0.43 0.94 1.23 0.23 0.00 0.00 176.35 178.35 1ihy h GLY 247 N 1.00 0.16 -4.89 -3.19 0.00 0.20 -3.45 103.07 92.90 1ihy h GLY 247 Ca -0.47 -0.41 -0.65 0.00 0.00 0.00 0.00 47.33 45.81 1ihy h GLY 247 CO 0.63 0.36 -0.58 0.54 0.00 0.00 0.00 176.54 177.49 1ihy s LYS 248 N -2.64 3.02 0.39 4.80 1.02 -0.62 -5.04 119.74 120.67 1ihy s LYS 248 Ca -0.05 -0.55 -0.24 0.00 0.02 0.00 0.00 55.97 55.15 1ihy s LYS 248 Cb 0.08 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 1ihy s LYS 248 CO 0.84 0.62 1.02 -1.21 -0.92 0.00 0.00 175.35 175.70 1ihy s GLU 249 N -1.98 4.26 0.09 1.68 2.02 -1.26 -4.74 118.70 118.77 1ihy s GLU 249 Ca 0.25 1.43 -0.26 0.00 0.02 0.00 0.00 54.97 56.41 1ihy s GLU 249 Cb -0.12 -2.55 0.08 0.00 0.10 0.00 0.00 34.13 31.64 1ihy s GLU 249 CO 0.17 -0.04 0.87 0.00 0.02 0.00 0.00 175.26 176.27 1ihy s SER 251 N -2.72 6.30 0.53 0.00 1.04 -1.26 -4.53 113.70 113.07 1ihy s SER 251 Ca 0.08 0.09 0.20 0.00 0.48 0.00 0.00 55.95 56.80 1ihy s SER 251 Cb -0.01 -1.86 1.38 0.00 0.10 0.00 0.00 66.02 65.62 1ihy s SER 251 CO -0.04 -0.03 2.12 0.22 0.98 0.00 0.00 173.24 176.49 1ihy h TYR 252 N 1.47 0.00 -0.68 5.02 3.20 -1.96 -0.66 116.97 123.35 1ihy h TYR 252 Ca -0.51 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.28 1ihy h TYR 252 Cb 1.22 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 1ihy h TYR 252 CO 0.48 0.00 0.12 -0.44 -1.64 0.00 0.00 178.16 176.68 1ihy h ASP 253 N 0.00 1.08 -0.65 -2.11 3.32 -1.99 -0.49 116.42 115.58 1ihy h ASP 253 Ca 0.06 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 56.93 1ihy h ASP 253 Cb 0.25 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1ihy h ASP 253 CO -0.00 1.06 0.43 0.44 -1.72 0.00 0.00 179.24 179.45 1ihy h ASP 254 N 1.05 0.53 -0.00 6.45 3.32 -1.51 0.37 116.42 126.63 1ihy h ASP 254 Ca 0.21 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ihy h ASP 254 Cb 0.44 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1ihy h ASP 254 CO 0.01 0.33 -0.00 0.40 -1.72 0.00 0.00 179.24 178.26 1ihy h ILE 255 N 0.59 1.46 -0.50 0.35 2.04 -1.25 -1.25 117.51 118.96 1ihy h ILE 255 Ca 0.29 -1.37 0.07 0.00 1.00 0.00 0.00 64.86 64.85 1ihy h ILE 255 Cb 0.35 2.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1ihy h ILE 255 CO -0.09 0.36 0.16 0.11 0.00 0.00 0.00 178.15 178.69 1ihy h LYS 256 N -0.57 0.32 0.23 2.37 1.57 -0.26 -0.32 116.57 119.90 1ihy h LYS 256 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ihy h LYS 256 Cb 0.58 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1ihy h LYS 256 CO 0.00 0.21 -0.23 0.00 -0.57 0.00 0.00 179.45 178.86 1ihy h ALA 257 N 1.35 -0.46 -0.64 3.86 0.00 -0.28 0.82 119.26 123.91 1ihy h ALA 257 Ca 0.24 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.21 1ihy h ALA 257 Cb 0.28 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1ihy h ALA 257 CO -0.26 -0.79 0.14 0.00 0.00 0.00 0.00 179.25 178.34 1ihy h ALA 258 N 0.21 0.78 -0.11 0.00 0.00 -0.64 0.11 119.26 119.61 1ihy h ALA 258 Ca -0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ihy h ALA 258 Cb 0.45 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ihy h ALA 258 CO -0.05 -0.31 0.05 0.52 0.00 0.00 0.00 179.25 179.45 1ihy h MET 259 N 0.27 0.16 -0.58 0.00 2.07 -0.60 -1.17 114.93 115.09 1ihy h MET 259 Ca 0.34 -0.03 0.01 0.00 -2.07 0.00 0.00 59.70 57.96 1ihy h MET 259 Cb 0.53 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.21 1ihy h MET 259 CO -0.43 0.27 0.38 -0.22 1.07 0.00 0.00 176.91 177.97 1ihy h LYS 260 N 0.02 0.75 0.16 1.72 3.64 0.02 0.48 116.57 123.36 1ihy h LYS 260 Ca 0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ihy h LYS 260 Cb 0.16 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ihy h LYS 260 CO -0.00 0.50 -0.10 1.15 -2.27 0.00 0.00 179.45 178.72 1ihy h THR 261 N 0.77 0.78 -0.77 1.00 2.02 -0.72 -2.46 112.91 113.53 1ihy h THR 261 Ca 0.22 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1ihy h THR 261 Cb -0.07 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1ihy h THR 261 CO -0.06 0.00 0.47 0.00 0.37 0.00 0.00 175.52 176.30 1ihy h ALA 262 N 0.58 1.04 0.00 6.16 0.00 -0.83 -2.05 119.26 124.16 1ihy h ALA 262 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ihy h ALA 262 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ihy h ALA 262 CO 0.01 0.22 -0.08 0.66 0.00 0.00 0.00 179.25 180.06 1ihy h SER 263 N 0.88 0.00 -0.05 0.00 4.64 -0.53 -1.90 113.55 116.59 1ihy h SER 263 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1ihy h SER 263 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ihy h SER 263 CO -0.15 0.08 0.00 -1.84 -0.87 0.00 0.00 176.83 174.04 1ihy n GLU 264 N -3.69 1.40 0.00 4.77 0.28 -0.95 -3.62 120.64 118.84 1ihy n GLU 264 Ca -0.02 -1.54 0.00 0.00 -0.16 0.00 0.00 57.16 55.44 1ihy n GLU 264 Cb 0.19 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1ihy n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ihy n GLY 265 N 0.93 1.53 0.24 -1.84 0.00 -0.81 -4.80 105.19 100.44 1ihy n GLY 265 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ihy n GLY 265 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ihy h PRO 266 N 0.00 0.06 -0.50 1.61 0.11 -1.82 -1.86 132.00 129.61 1ihy h PRO 266 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ihy h PRO 266 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1ihy h PRO 266 CO 0.00 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.11 1ihy n LEU 267 N -5.34 2.65 -4.66 2.35 4.77 -0.77 -4.96 117.00 111.03 1ihy n LEU 267 Ca 0.08 -1.33 -0.46 0.00 -0.03 0.00 0.00 56.01 54.28 1ihy n LEU 267 Cb 0.35 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ihy n LEU 267 CO 0.08 0.58 1.10 1.67 -1.33 0.00 0.00 177.39 179.50 1ihy n GLN 268 N 0.75 2.04 0.00 3.23 7.27 -0.70 -0.15 117.38 129.82 1ihy n GLN 268 Ca 0.15 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.96 1ihy n GLN 268 Cb 0.45 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.65 1ihy n GLN 268 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ihy n GLY 269 N 2.85 3.31 0.36 1.69 0.00 -1.26 -4.78 105.19 107.36 1ihy n GLY 269 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1ihy n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ihy n VAL 270 N -1.99 1.33 -3.79 1.61 0.31 0.79 -4.45 118.33 112.15 1ihy n VAL 270 Ca 0.00 0.06 -0.36 0.00 -0.01 0.00 0.00 64.34 64.03 1ihy n VAL 270 Cb 0.00 -2.03 -0.11 0.00 -0.91 0.00 0.00 33.84 30.79 1ihy n VAL 270 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1ihy s LEU 271 N -7.49 3.80 0.35 7.52 2.96 0.20 -0.68 118.68 125.34 1ihy s LEU 271 Ca -0.23 -0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1ihy s LEU 271 Cb 0.05 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1ihy s LEU 271 CO 0.33 0.05 0.43 -0.83 -1.32 0.00 0.00 176.35 175.01 1ihy s GLY 272 N 1.13 1.70 -0.01 7.98 0.00 0.47 -4.40 107.32 114.19 1ihy s GLY 272 Ca 0.06 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1ihy s GLY 272 CO 0.04 -1.45 0.00 -0.47 0.00 0.00 0.00 173.10 171.23 1ihy s TYR 273 N -2.23 0.08 -0.00 1.90 6.14 -1.26 -0.87 117.35 121.11 1ihy s TYR 273 Ca 0.45 0.03 -0.11 0.00 0.64 0.00 0.00 57.07 58.07 1ihy s TYR 273 Cb -0.08 -0.13 0.01 0.00 0.42 0.00 0.00 41.96 42.18 1ihy s TYR 273 CO 0.30 -0.04 0.23 -0.08 0.64 0.00 0.00 175.55 176.60 1ihy s THR 274 N 0.37 0.07 -0.05 4.34 -1.32 -0.67 -4.93 115.64 113.45 1ihy s THR 274 Ca -0.03 -0.60 0.07 0.00 -1.21 0.00 0.00 61.69 59.92 1ihy s THR 274 Cb -0.05 -0.56 0.11 0.00 -1.51 0.00 0.00 72.50 70.50 1ihy s THR 274 CO -0.01 -0.33 0.99 -0.62 -2.21 0.00 0.00 174.62 172.44 1ihy n GLU 275 N 1.30 1.12 -2.78 7.08 1.02 -1.26 -1.51 120.64 125.60 1ihy n GLU 275 Ca -0.22 -1.65 -0.25 0.00 -0.02 0.00 0.00 57.16 55.02 1ihy n GLU 275 Cb 0.56 -0.99 0.01 0.00 -0.02 0.00 0.00 31.44 31.00 1ihy n GLU 275 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ihy s ASP 276 N -1.60 5.91 -1.38 1.62 -0.00 -1.26 -4.81 116.67 115.15 1ihy s ASP 276 Ca 0.13 0.57 -0.12 0.00 -0.00 0.00 0.00 52.55 53.13 1ihy s ASP 276 Cb 0.11 -1.79 0.10 0.00 -0.00 0.00 0.00 42.92 41.33 1ihy s ASP 276 CO 0.01 -0.73 2.09 0.47 -0.00 0.00 0.00 175.17 177.01 1ihy n ASP 277 N -2.23 4.66 -4.87 0.27 9.92 -1.26 -4.84 116.55 118.20 1ihy n ASP 277 Ca 0.01 -2.97 -0.31 0.00 -0.53 0.00 0.00 54.79 51.00 1ihy n ASP 277 Cb 0.57 -1.57 0.01 0.00 -0.64 0.00 0.00 41.12 39.49 1ihy n ASP 277 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ihy s VAL 278 N 1.77 4.66 0.22 2.53 -7.23 -1.26 -5.10 120.40 115.99 1ihy s VAL 278 Ca 0.44 0.89 0.01 0.00 -1.81 0.00 0.00 61.98 61.51 1ihy s VAL 278 Cb 0.12 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.18 1ihy s VAL 278 CO -0.05 -1.11 0.07 0.68 -0.31 0.00 0.00 175.10 174.39 1ihy s VAL 279 N -3.14 0.51 0.12 1.32 -7.23 -1.26 -5.04 120.40 105.68 1ihy s VAL 279 Ca 0.55 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.60 1ihy s VAL 279 Cb -0.11 -2.44 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1ihy s VAL 279 CO 0.53 -0.16 0.89 -0.24 -0.31 0.00 0.00 175.10 175.80 1ihy n SER 280 N -0.36 -0.47 0.25 4.85 2.88 -1.26 -1.11 113.62 118.40 1ihy n SER 280 Ca -0.02 1.01 0.10 0.00 -1.33 0.00 0.00 58.87 58.63 1ihy n SER 280 Cb 0.65 -0.19 0.64 0.00 -0.75 0.00 0.00 64.21 64.56 1ihy n SER 280 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ihy n ASP 282 N -3.93 0.00 0.00 0.00 8.00 -0.26 -2.14 116.55 118.22 1ihy n ASP 282 Ca -0.02 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1ihy n ASP 282 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1ihy n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ihy n PHE 283 N -0.90 0.00 -2.20 1.24 3.72 -1.13 -4.90 117.46 113.29 1ihy n PHE 283 Ca 0.04 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 1ihy n PHE 283 Cb 0.02 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.49 1ihy n PHE 283 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ihy s THR 284 N -0.77 3.66 0.00 4.37 2.01 -0.91 -1.44 115.64 122.57 1ihy s THR 284 Ca 0.00 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.05 1ihy s THR 284 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1ihy s THR 284 CO 0.00 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1ihy n GLY 285 N 3.67 1.10 3.71 4.40 0.00 -1.26 -5.01 105.19 111.80 1ihy n GLY 285 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ihy n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ihy s ASP 286 N -3.01 6.82 -0.24 1.61 -1.08 -0.52 -4.92 116.67 115.33 1ihy s ASP 286 Ca 0.00 2.31 0.14 0.00 -0.52 0.00 0.00 52.55 54.48 1ihy s ASP 286 Cb 0.00 -2.58 0.82 0.00 -1.46 0.00 0.00 42.92 39.70 1ihy s ASP 286 CO 0.00 -0.66 1.75 -0.46 0.52 0.00 0.00 175.17 176.32 1ihy n ASN 287 N 4.05 5.74 -4.92 -0.34 6.94 -1.26 -3.78 115.26 121.70 1ihy n ASN 287 Ca 0.12 -2.94 -0.27 0.00 -0.02 0.00 0.00 54.58 51.47 1ihy n ASN 287 Cb 0.42 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 1ihy n ASN 287 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1ihy s ARG 288 N -2.77 3.57 0.15 -3.83 3.00 -1.26 -4.77 118.95 113.03 1ihy s ARG 288 Ca 0.55 -0.16 -0.10 0.00 0.00 0.00 0.00 55.73 56.01 1ihy s ARG 288 Cb 0.42 -2.70 -0.01 0.00 0.00 0.00 0.00 34.95 32.66 1ihy s ARG 288 CO 0.16 0.24 1.51 0.77 0.00 0.00 0.00 175.30 177.98 1ihy h SER 289 N 1.53 1.01 -3.64 0.23 0.02 -1.12 -3.42 113.55 108.16 1ihy h SER 289 Ca -0.48 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.01 1ihy h SER 289 Cb 1.20 -0.28 -0.22 0.00 0.14 0.00 0.00 62.40 63.24 1ihy h SER 289 CO 0.65 1.23 0.04 -0.94 -1.14 0.00 0.00 176.83 176.67 1ihy s SER 290 N -6.79 -0.77 -0.24 3.07 1.04 -1.02 -4.05 113.70 104.94 1ihy s SER 290 Ca -0.11 1.38 -0.04 0.00 0.48 0.00 0.00 55.95 57.67 1ihy s SER 290 Cb 0.12 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.59 1ihy s SER 290 CO 0.88 -0.23 -0.03 -0.63 0.98 0.00 0.00 173.24 174.20 1ihy s ILE 291 N 0.80 3.32 -0.09 -1.02 1.09 0.27 -0.39 121.20 125.18 1ihy s ILE 291 Ca -0.04 -0.67 -0.30 0.00 -1.10 0.00 0.00 60.65 58.55 1ihy s ILE 291 Cb -0.05 -2.59 -0.03 0.00 -1.06 0.00 0.00 42.46 38.73 1ihy s ILE 291 CO -0.06 0.31 1.33 0.12 -0.10 0.00 0.00 174.94 176.54 1ihy s PHE 292 N 1.44 2.82 -0.69 3.97 5.36 -0.05 -0.16 117.98 130.68 1ihy s PHE 292 Ca 0.04 0.91 -0.18 0.00 -0.96 0.00 0.00 56.93 56.74 1ihy s PHE 292 Cb -0.15 -3.57 0.13 0.00 -0.34 0.00 0.00 43.02 39.09 1ihy s PHE 292 CO -0.03 -2.06 0.76 0.34 -1.46 0.00 0.00 175.22 172.77 1ihy s ASP 293 N 2.01 6.37 0.12 6.13 3.68 0.14 -1.67 116.67 133.45 1ihy s ASP 293 Ca 0.59 -1.83 -0.28 0.00 2.13 0.00 0.00 52.55 53.17 1ihy s ASP 293 Cb -0.26 -2.29 -0.08 0.00 -1.45 0.00 0.00 42.92 38.85 1ihy s ASP 293 CO 0.21 -0.97 1.62 0.00 0.13 0.00 0.00 175.17 176.16 1ihy h ALA 294 N 8.81 -0.50 0.00 3.66 0.00 -1.56 -2.92 119.26 126.75 1ihy h ALA 294 Ca -0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ihy h ALA 294 Cb 1.07 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1ihy h ALA 294 CO 1.02 -0.84 -0.13 0.87 0.00 0.00 0.00 179.25 180.17 1ihy h LYS 295 N -0.51 0.00 -0.23 0.00 1.79 -1.88 -3.24 116.57 112.51 1ihy h LYS 295 Ca 0.04 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.33 1ihy h LYS 295 Cb 0.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1ihy h LYS 295 CO -0.20 0.13 -0.56 0.00 -1.08 0.00 0.00 179.45 177.74 1ihy h ALA 296 N 1.87 0.58 -2.33 3.86 0.00 -1.89 -3.45 119.26 117.89 1ihy h ALA 296 Ca -0.00 -0.52 -0.51 0.00 0.00 0.00 0.00 54.91 53.88 1ihy h ALA 296 Cb 0.38 -0.08 0.13 0.00 0.00 0.00 0.00 17.79 18.22 1ihy h ALA 296 CO 0.02 0.69 0.33 0.20 0.00 0.00 0.00 179.25 180.48 1ihy s GLY 297 N -4.06 1.74 0.02 0.00 0.00 -1.22 -4.89 107.32 98.91 1ihy s GLY 297 Ca -0.09 0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.90 1ihy s GLY 297 CO 0.87 0.65 0.06 -0.26 0.00 0.00 0.00 173.10 174.42 1ihy s ILE 298 N -2.83 0.11 -0.11 0.90 -0.00 -0.71 -5.01 121.20 113.56 1ihy s ILE 298 Ca 0.62 -0.90 0.03 0.00 -0.00 0.00 0.00 60.65 60.40 1ihy s ILE 298 Cb -0.18 -0.52 -0.00 0.00 -0.00 0.00 0.00 42.46 41.76 1ihy s ILE 298 CO 0.54 -0.50 -0.22 -1.58 -0.00 0.00 0.00 174.94 173.18 1ihy s GLN 299 N -1.79 3.11 -0.20 0.37 0.74 -1.26 -0.84 119.66 119.79 1ihy s GLN 299 Ca -0.12 -0.84 -0.22 0.00 0.05 0.00 0.00 55.36 54.23 1ihy s GLN 299 Cb -0.06 -2.37 -0.19 0.00 1.10 0.00 0.00 33.01 31.49 1ihy s GLN 299 CO -0.01 0.17 0.25 1.25 -0.55 0.00 0.00 175.29 176.40 1ihy h LEU 300 N 6.75 0.00 -8.94 3.68 5.85 -1.55 -3.49 115.31 117.60 1ihy h LEU 300 Ca -0.21 -0.53 -0.41 0.00 0.84 0.00 0.00 57.88 57.57 1ihy h LEU 300 Cb 1.23 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.12 1ihy h LEU 300 CO 0.49 1.41 -0.56 -0.94 -0.34 0.00 0.00 178.44 178.50 1ihy s SER 301 N -6.74 1.46 0.48 1.25 1.04 -0.98 -4.98 113.70 105.23 1ihy s SER 301 Ca -0.27 -1.56 0.26 0.00 0.48 0.00 0.00 55.95 54.86 1ihy s SER 301 Cb 0.05 0.40 1.43 0.00 0.10 0.00 0.00 66.02 68.00 1ihy s SER 301 CO 0.58 -0.90 1.78 0.11 0.98 0.00 0.00 173.24 175.79 1ihy h LYS 302 N 2.23 0.00 0.00 4.02 1.79 -1.96 -2.60 116.57 120.06 1ihy h LYS 302 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1ihy h LYS 302 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1ihy h LYS 302 CO 0.51 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 179.13 1ihy n THR 303 N -2.54 0.12 -3.97 -0.16 -2.24 -1.26 -1.58 114.28 102.65 1ihy n THR 303 Ca -0.02 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 1ihy n THR 303 Cb 0.21 1.31 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 1ihy n THR 303 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ihy s PHE 304 N -0.12 2.72 0.08 4.78 5.36 -0.98 -0.48 117.98 129.35 1ihy s PHE 304 Ca 0.00 -2.02 0.01 0.00 -0.96 0.00 0.00 56.93 53.96 1ihy s PHE 304 Cb 0.00 -1.80 -0.04 0.00 -0.34 0.00 0.00 43.02 40.84 1ihy s PHE 304 CO 0.00 -0.82 -0.06 0.54 -1.46 0.00 0.00 175.22 173.42 1ihy s VAL 305 N 1.28 0.56 -0.15 3.12 0.11 -0.94 -1.22 120.40 123.17 1ihy s VAL 305 Ca -0.05 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.17 1ihy s VAL 305 Cb -0.19 -1.55 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 1ihy s VAL 305 CO -0.07 -0.87 -0.13 -0.75 -3.33 0.00 0.00 175.10 169.96 1ihy s LYS 306 N -3.67 2.14 0.13 1.54 2.20 -0.02 -1.10 119.74 120.96 1ihy s LYS 306 Ca 0.09 -0.53 0.06 0.00 -0.36 0.00 0.00 55.97 55.23 1ihy s LYS 306 Cb 0.05 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1ihy s LYS 306 CO -0.06 -0.26 -0.03 0.14 -0.36 0.00 0.00 175.35 174.79 1ihy s VAL 307 N 1.52 3.73 -0.12 4.02 -7.23 0.39 -1.73 120.40 120.98 1ihy s VAL 307 Ca 0.04 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 1ihy s VAL 307 Cb -0.13 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1ihy s VAL 307 CO -0.10 0.03 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.85 1ihy s VAL 308 N -1.44 1.76 -0.05 1.32 1.01 -1.26 -1.29 120.40 120.45 1ihy s VAL 308 Ca 0.25 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ihy s VAL 308 Cb -0.11 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1ihy s VAL 308 CO 0.17 0.49 -0.10 -0.55 0.00 0.00 0.00 175.10 175.11 1ihy s SER 309 N 0.89 1.48 0.49 3.32 0.15 -0.71 -0.68 113.70 118.65 1ihy s SER 309 Ca -0.07 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 1ihy s SER 309 Cb -0.15 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1ihy s SER 309 CO -0.01 0.03 0.73 0.26 1.20 0.00 0.00 173.24 175.44 1ihy s TRP 310 N 0.60 3.17 -0.29 3.44 0.52 0.78 -0.14 118.94 127.02 1ihy s TRP 310 Ca -0.11 0.27 -0.21 0.00 0.02 0.00 0.00 56.10 56.06 1ihy s TRP 310 Cb -0.14 -2.45 0.16 0.00 -1.15 0.00 0.00 33.47 29.89 1ihy s TRP 310 CO 0.02 -0.51 1.16 1.52 0.02 0.00 0.00 176.95 179.16 1ihy s TYR 311 N -2.66 -0.33 -0.90 -1.98 -0.85 -0.60 -0.57 117.35 109.46 1ihy s TYR 311 Ca 0.51 0.74 -0.21 0.00 -0.52 0.00 0.00 57.07 57.58 1ihy s TYR 311 Cb -0.10 0.34 0.09 0.00 0.38 0.00 0.00 41.96 42.67 1ihy s TYR 311 CO 0.39 -0.16 1.22 0.34 -1.52 0.00 0.00 175.55 175.82 1ihy s ASP 312 N 0.59 6.48 0.53 -0.18 -1.08 -1.26 -0.99 116.67 120.76 1ihy s ASP 312 Ca -0.01 -1.55 0.40 0.00 -0.52 0.00 0.00 52.55 50.87 1ihy s ASP 312 Cb -0.04 -2.47 1.58 0.00 -1.46 0.00 0.00 42.92 40.52 1ihy s ASP 312 CO -0.11 -1.33 1.71 -0.55 0.52 0.00 0.00 175.17 175.40 1ihy h ASN 313 N 9.37 0.05 0.00 -0.34 7.08 -1.91 -1.58 115.58 128.25 1ihy h ASN 313 Ca 0.07 0.02 -0.13 0.00 -3.08 0.00 0.00 56.30 53.17 1ihy h ASN 313 Cb 1.03 0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 37.26 1ihy h ASN 313 CO 1.24 -0.01 -0.89 -0.33 -2.08 0.00 0.00 177.43 175.36 1ihy h GLU 314 N 0.03 0.00 -0.08 4.14 5.08 -1.98 -3.38 114.58 118.39 1ihy h GLU 314 Ca 0.71 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.05 1ihy h GLU 314 Cb 2.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.99 1ihy h GLU 314 CO -0.06 0.63 -0.04 0.35 -1.00 0.00 0.00 179.01 178.90 1ihy h PHE 315 N -1.00 0.19 -0.77 4.33 3.04 -1.79 -2.91 116.94 118.02 1ihy h PHE 315 Ca -0.20 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.68 1ihy h PHE 315 Cb 0.97 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.40 1ihy h PHE 315 CO 0.00 0.53 0.37 0.78 -2.02 0.00 0.00 178.31 177.97 1ihy h GLY 316 N -0.21 1.20 0.95 2.40 0.00 -1.39 -2.44 103.07 103.58 1ihy h GLY 316 Ca 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1ihy h GLY 316 CO 0.01 0.57 0.15 -1.82 0.00 0.00 0.00 176.54 175.44 1ihy h TYR 317 N 1.09 0.66 0.00 5.60 3.20 -1.72 -2.13 116.97 123.67 1ihy h TYR 317 Ca 0.27 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1ihy h TYR 317 Cb 0.12 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1ihy h TYR 317 CO 0.01 0.60 -0.22 0.66 -1.64 0.00 0.00 178.16 177.57 1ihy h SER 318 N 0.53 0.00 -0.24 -2.11 4.64 -1.38 -1.73 113.55 113.26 1ihy h SER 318 Ca 0.14 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1ihy h SER 318 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ihy h SER 318 CO -0.01 0.22 -0.50 -0.61 -0.87 0.00 0.00 176.83 175.06 1ihy h GLN 319 N 0.00 0.82 0.00 4.77 5.75 -1.01 -2.80 115.11 122.64 1ihy h GLN 319 Ca -0.00 -0.49 -0.07 0.00 -0.15 0.00 0.00 58.65 57.94 1ihy h GLN 319 Cb 0.41 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1ihy h GLN 319 CO 0.03 1.13 -0.33 0.00 -2.65 0.00 0.00 178.83 177.01 1ihy h ARG 320 N 0.64 0.00 -0.75 1.69 2.47 -0.72 -2.32 114.38 115.39 1ihy h ARG 320 Ca 0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1ihy h ARG 320 Cb 1.09 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.37 1ihy h ARG 320 CO 0.11 0.33 0.42 0.28 0.56 0.00 0.00 179.97 181.67 1ihy h VAL 321 N 0.00 1.22 -0.10 2.04 2.07 -1.07 0.16 116.25 120.58 1ihy h VAL 321 Ca -0.00 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1ihy h VAL 321 Cb 0.60 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ihy h VAL 321 CO 0.04 0.24 -0.02 0.40 0.02 0.00 0.00 177.57 178.25 1ihy h ILE 322 N 1.03 1.29 -0.77 4.57 1.08 -1.42 -2.61 117.51 120.67 1ihy h ILE 322 Ca 0.27 -0.92 0.15 0.00 -0.39 0.00 0.00 64.86 63.96 1ihy h ILE 322 Cb 0.01 1.71 -0.10 0.00 -3.07 0.00 0.00 36.82 35.37 1ihy h ILE 322 CO -0.04 0.26 0.32 0.44 -0.69 0.00 0.00 178.15 178.43 1ihy h ASP 323 N -0.14 0.30 -0.24 1.72 3.45 -0.99 0.14 116.42 120.66 1ihy h ASP 323 Ca 0.02 0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 1ihy h ASP 323 Cb 0.42 0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.26 1ihy h ASP 323 CO 0.01 0.10 0.13 0.25 -1.57 0.00 0.00 179.24 178.16 1ihy h LEU 324 N 0.45 0.30 -1.04 1.55 5.85 -0.58 -1.41 115.31 120.43 1ihy h LEU 324 Ca 0.43 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1ihy h LEU 324 Cb 0.66 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1ihy h LEU 324 CO -0.41 0.29 0.53 0.40 -0.34 0.00 0.00 178.44 178.91 1ihy h ILE 325 N 0.28 1.24 -0.23 4.05 2.04 -0.76 0.27 117.51 124.40 1ihy h ILE 325 Ca 0.08 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1ihy h ILE 325 Cb 0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1ihy h ILE 325 CO -0.01 0.25 0.12 0.11 0.00 0.00 0.00 178.15 178.62 1ihy h LYS 326 N 1.21 0.33 -0.54 2.37 1.57 -0.41 -1.10 116.57 119.99 1ihy h LYS 326 Ca 0.31 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1ihy h LYS 326 Cb -0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1ihy h LYS 326 CO -0.06 0.30 0.29 1.25 -0.57 0.00 0.00 179.45 180.66 1ihy h HIS 327 N 0.26 0.76 -0.39 -1.35 2.76 -0.80 -1.06 115.15 115.33 1ihy h HIS 327 Ca 0.08 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1ihy h HIS 327 Cb 0.07 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 1ihy h HIS 327 CO -0.03 0.57 0.21 0.52 -1.30 0.00 0.00 177.93 177.89 1ihy h MET 328 N 0.73 0.41 -0.11 5.26 2.86 -0.71 -1.99 114.93 121.37 1ihy h MET 328 Ca 0.19 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1ihy h MET 328 Cb 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1ihy h MET 328 CO -0.03 0.27 -0.39 1.96 1.06 0.00 0.00 176.91 179.78 1ihy h GLN 329 N 0.42 0.23 -0.14 1.72 4.20 -1.00 0.34 115.11 120.88 1ihy h GLN 329 Ca 0.16 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1ihy h GLN 329 Cb 0.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1ihy h GLN 329 CO -0.10 0.59 -0.19 -0.22 -0.67 0.00 0.00 178.83 178.24 1ihy h LYS 330 N 0.20 0.23 0.02 1.46 3.64 -0.73 0.54 116.57 121.94 1ihy h LYS 330 Ca 0.02 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.05 1ihy h LYS 330 Cb 0.79 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1ihy h LYS 330 CO 0.06 0.43 -1.58 0.28 -2.27 0.00 0.00 179.45 176.36 1ihy h VAL 331 N 0.22 1.02 0.05 2.00 2.07 -0.81 -3.30 116.25 117.50 1ihy h VAL 331 Ca 0.04 -2.81 -0.00 0.00 0.82 0.00 0.00 66.70 64.74 1ihy h VAL 331 Cb 0.47 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1ihy h VAL 331 CO 0.03 0.65 -0.03 0.44 0.02 0.00 0.00 177.57 178.68 1ihy h ASP 332 N 0.01 -0.06 0.00 0.57 3.45 -0.12 -3.23 116.42 117.05 1ihy h ASP 332 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1ihy h ASP 332 Cb 1.97 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.76 1ihy h ASP 332 CO 0.10 0.11 0.00 -1.20 -1.57 0.00 0.00 179.24 176.68 1ihy n SER 333 N -3.05 0.00 -0.53 6.45 7.64 0.16 -5.06 113.62 119.23 1ihy n SER 333 Ca -0.01 -0.11 0.14 0.00 1.01 0.00 0.00 58.87 59.89 1ihy n SER 333 Cb 0.03 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 63.71 1ihy n SER 333 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03