#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irh s ILE 3 N 0.00 5.05 0.30 2.28 -1.09 -1.26 -5.04 121.20 121.44 3irh s ILE 3 Ca 0.00 0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 59.05 3irh s ILE 3 Cb 0.00 -3.77 -0.13 0.00 -1.58 0.00 0.00 42.46 36.98 3irh s ILE 3 CO 0.00 0.48 1.26 -0.81 -1.23 0.00 0.00 174.94 174.64 3irh n PRO 4 N 2.52 1.92 -0.31 2.79 -0.04 -1.26 -4.83 135.00 135.79 3irh n PRO 4 Ca -0.11 0.68 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 3irh n PRO 4 Cb 0.52 -2.23 0.31 0.00 -0.04 0.00 0.00 33.50 32.05 3irh n PRO 4 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3irh h TYR 5 N 2.93 0.67 -1.22 0.54 3.20 -1.92 0.26 116.97 121.43 3irh h TYR 5 Ca -0.44 0.04 0.39 0.00 3.14 0.00 0.00 58.73 61.86 3irh h TYR 5 Cb 1.29 -0.15 -0.13 0.00 1.54 0.00 0.00 36.73 39.28 3irh h TYR 5 CO 0.52 -0.04 0.77 -0.22 -1.64 0.00 0.00 178.16 177.55 3irh h LYS 6 N 0.41 0.15 -0.02 1.82 3.64 -1.87 -2.53 116.57 118.18 3irh h LYS 6 Ca 0.56 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3irh h LYS 6 Cb 1.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3irh h LYS 6 CO -0.52 0.10 -0.11 0.39 -2.27 0.00 0.00 179.45 177.04 3irh n GLU 7 N -4.76 1.34 -1.93 1.90 1.02 0.89 -4.97 120.64 114.12 3irh n GLU 7 Ca 0.35 -1.15 -0.41 0.00 -0.02 0.00 0.00 57.16 55.92 3irh n GLU 7 Cb 1.28 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 31.42 3irh n GLU 7 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3irh s GLN 8 N -1.41 3.07 -0.18 3.49 -0.21 -0.95 -4.95 119.66 118.51 3irh s GLN 8 Ca 0.15 1.32 -0.12 0.00 0.02 0.00 0.00 55.36 56.73 3irh s GLN 8 Cb 0.12 -4.29 -0.05 0.00 1.00 0.00 0.00 33.01 29.80 3irh s GLN 8 CO 0.25 -2.18 0.22 0.50 -2.12 0.00 0.00 175.29 171.96 3irh s ARG 9 N 6.22 4.21 0.27 2.91 3.52 -1.26 -0.69 118.95 134.13 3irh s ARG 9 Ca 0.81 -0.05 -0.31 0.00 -0.13 0.00 0.00 55.73 56.05 3irh s ARG 9 Cb -0.21 -3.44 -0.12 0.00 -1.56 0.00 0.00 34.95 29.62 3irh s ARG 9 CO 0.30 0.23 1.60 1.28 -0.81 0.00 0.00 175.30 177.90 3irh n LEU 10 N 3.66 4.10 -0.02 -0.88 4.77 1.00 -4.89 117.00 124.74 3irh n LEU 10 Ca -0.14 1.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.96 3irh n LEU 10 Cb 0.52 -1.56 0.24 0.00 -2.33 0.00 0.00 43.42 40.29 3irh n LEU 10 CO 0.38 0.06 0.88 1.55 -1.33 0.00 0.00 177.39 178.94 3irh h PRO 11 N 5.09 0.58 -5.09 3.23 0.13 -1.97 -3.38 132.00 130.59 3irh h PRO 11 Ca -0.46 -0.15 -0.66 0.00 -0.87 0.00 0.00 66.00 63.86 3irh h PRO 11 Cb 1.23 -0.07 -0.30 0.00 0.13 0.00 0.00 31.00 31.98 3irh h PRO 11 CO 0.82 0.64 -0.78 0.42 -0.23 0.00 0.00 178.00 178.87 3irh s ILE 12 N -4.89 2.82 0.15 -3.56 1.01 -1.26 -5.09 121.20 110.38 3irh s ILE 12 Ca -0.08 -0.70 -0.34 0.00 0.00 0.00 0.00 60.65 59.53 3irh s ILE 12 Cb 0.15 -2.23 -0.15 0.00 0.01 0.00 0.00 42.46 40.24 3irh s ILE 12 CO 0.78 0.49 1.36 1.21 0.00 0.00 0.00 174.94 178.78 3irh n GLU 13 N 4.43 1.53 -3.58 2.79 2.13 -1.26 -4.96 120.64 121.72 3irh n GLU 13 Ca -0.19 0.55 -0.36 0.00 0.66 0.00 0.00 57.16 57.82 3irh n GLU 13 Cb 0.51 -2.19 -0.07 0.00 0.27 0.00 0.00 31.44 29.96 3irh n GLU 13 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3irh s LYS 14 N 0.20 4.23 0.01 5.31 2.20 -0.65 -4.95 119.74 126.09 3irh s LYS 14 Ca 0.77 0.00 0.07 0.00 -0.36 0.00 0.00 55.97 56.45 3irh s LYS 14 Cb -0.81 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.04 3irh s LYS 14 CO 0.47 0.23 -0.20 0.14 -0.36 0.00 0.00 175.35 175.63 3irh s VAL 15 N 0.51 2.63 -0.12 4.02 -7.23 -1.26 0.04 120.40 119.00 3irh s VAL 15 Ca 0.14 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 3irh s VAL 15 Cb -0.13 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.77 3irh s VAL 15 CO 0.02 0.43 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.70 3irh s PHE 16 N -0.82 2.28 0.17 2.82 0.40 -0.00 -4.94 117.98 117.89 3irh s PHE 16 Ca 0.13 -1.08 -0.31 0.00 -0.60 0.00 0.00 56.93 55.07 3irh s PHE 16 Cb -0.10 -1.59 -0.10 0.00 0.51 0.00 0.00 43.02 41.74 3irh s PHE 16 CO 0.03 -0.51 1.53 1.03 0.70 0.00 0.00 175.22 177.99 3irh s ARG 17 N 0.83 4.23 -0.07 0.44 1.81 -1.26 -0.31 118.95 124.62 3irh s ARG 17 Ca -0.09 2.32 0.00 0.00 -1.72 0.00 0.00 55.73 56.24 3irh s ARG 17 Cb -0.16 -3.16 0.02 0.00 -0.45 0.00 0.00 34.95 31.21 3irh s ARG 17 CO -0.00 -0.56 -0.06 0.34 -0.68 0.00 0.00 175.30 174.34 3irh s ASP 18 N 1.02 1.58 0.37 0.23 2.15 0.06 -4.87 116.67 117.19 3irh s ASP 18 Ca 0.68 -0.20 0.08 0.00 0.43 0.00 0.00 52.55 53.53 3irh s ASP 18 Cb -0.43 -0.63 0.79 0.00 -0.30 0.00 0.00 42.92 42.36 3irh s ASP 18 CO 0.33 -0.08 1.93 1.55 -0.17 0.00 0.00 175.17 178.73 3irh h PRO 19 N 7.64 0.69 0.00 4.34 0.13 -1.95 0.18 132.00 143.03 3irh h PRO 19 Ca -0.30 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 3irh h PRO 19 Cb 1.15 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3irh h PRO 19 CO 0.41 0.45 -0.21 0.28 -0.23 0.00 0.00 178.00 178.71 3irh h VAL 20 N 0.71 1.51 -0.24 1.56 2.07 -1.96 -3.38 116.25 116.51 3irh h VAL 20 Ca 0.35 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3irh h VAL 20 Cb 0.44 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3irh h VAL 20 CO -0.13 0.51 0.00 1.41 0.02 0.00 0.00 177.57 179.38 3irh n HIS 21 N -4.59 0.29 0.00 1.57 8.25 -1.24 -4.99 115.22 114.50 3irh n HIS 21 Ca -0.13 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 3irh n HIS 21 Cb 0.48 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3irh n HIS 21 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3irh n ASN 22 N 1.38 0.00 -3.93 0.41 5.15 0.62 -4.73 115.26 114.16 3irh n ASN 22 Ca 0.17 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.99 3irh n ASN 22 Cb 0.58 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.69 3irh n ASN 22 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3irh s TYR 23 N 0.00 0.38 -0.05 1.20 1.51 -1.26 -0.76 117.35 118.37 3irh s TYR 23 Ca 0.00 -0.07 -0.21 0.00 -1.01 0.00 0.00 57.07 55.78 3irh s TYR 23 Cb 0.00 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.54 3irh s TYR 23 CO 0.00 -0.02 0.61 0.42 -1.11 0.00 0.00 175.55 175.45 3irh s ILE 24 N 0.02 5.02 -0.16 2.71 -1.09 0.58 -4.89 121.20 123.39 3irh s ILE 24 Ca 0.00 1.26 -0.02 0.00 -2.23 0.00 0.00 60.65 59.66 3irh s ILE 24 Cb -0.03 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 3irh s ILE 24 CO -0.00 0.34 -0.09 -1.00 -1.23 0.00 0.00 174.94 172.96 3irh s HIS 25 N 0.34 2.91 -0.18 3.97 3.76 -1.26 -0.82 115.29 124.00 3irh s HIS 25 Ca 0.32 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 3irh s HIS 25 Cb -0.17 -1.93 0.03 0.00 1.11 0.00 0.00 32.58 31.61 3irh s HIS 25 CO 0.16 -0.22 -0.17 0.08 -0.85 0.00 0.00 174.74 173.74 3irh s VAL 26 N 0.57 1.93 -0.19 -0.90 1.01 0.11 -4.97 120.40 117.96 3irh s VAL 26 Ca -0.06 -0.95 0.14 0.00 0.00 0.00 0.00 61.98 61.11 3irh s VAL 26 Cb -0.15 -1.81 -0.23 0.00 0.00 0.00 0.00 36.38 34.19 3irh s VAL 26 CO 0.03 0.44 0.09 0.00 0.00 0.00 0.00 175.10 175.66 3irh n GLN 27 N 4.64 0.68 -3.81 2.72 1.13 -1.26 -1.64 117.38 119.83 3irh n GLN 27 Ca -0.19 0.06 -0.37 0.00 -1.94 0.00 0.00 57.00 54.56 3irh n GLN 27 Cb 0.49 -1.56 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 3irh n GLN 27 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3irh s HIS 28 N -2.51 3.62 0.16 1.08 3.76 -1.26 -0.00 115.29 120.14 3irh s HIS 28 Ca -0.14 0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 55.22 3irh s HIS 28 Cb 0.07 -2.01 0.04 0.00 1.11 0.00 0.00 32.58 31.79 3irh s HIS 28 CO 0.79 0.71 1.82 0.37 -0.85 0.00 0.00 174.74 177.57 3irh h GLN 29 N 4.99 0.57 -0.55 1.40 5.75 -1.23 -2.47 115.11 123.57 3irh h GLN 29 Ca -0.54 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.04 3irh h GLN 29 Cb 1.23 -0.13 -0.11 0.00 1.07 0.00 0.00 27.48 29.54 3irh h GLN 29 CO 0.59 0.38 -0.15 0.28 -2.65 0.00 0.00 178.83 177.28 3irh h VAL 30 N 0.59 0.43 -0.49 2.39 2.07 -1.81 0.20 116.25 119.62 3irh h VAL 30 Ca 0.17 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 3irh h VAL 30 Cb -0.05 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3irh h VAL 30 CO -0.05 0.00 0.11 0.40 0.02 0.00 0.00 177.57 178.06 3irh h ILE 31 N -0.02 1.24 0.06 4.57 1.08 -1.92 -0.74 117.51 121.78 3irh h ILE 31 Ca 0.26 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3irh h ILE 31 Cb 0.42 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 3irh h ILE 31 CO -0.57 0.30 -0.05 0.25 -0.69 0.00 0.00 178.15 177.40 3irh h LEU 32 N 0.67 -0.12 -0.89 1.44 5.85 -0.90 -0.43 115.31 120.93 3irh h LEU 32 Ca 0.15 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.00 3irh h LEU 32 Cb 0.34 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 3irh h LEU 32 CO 0.00 -0.07 0.52 0.44 -0.34 0.00 0.00 178.44 178.98 3irh h ASP 33 N -0.11 0.72 -0.41 1.25 3.32 -0.43 -1.15 116.42 119.61 3irh h ASP 33 Ca 0.00 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3irh h ASP 33 Cb 0.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3irh h ASP 33 CO -0.01 0.38 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.80 3irh h LEU 34 N 0.82 0.72 -0.61 1.55 3.38 -0.67 -2.10 115.31 118.41 3irh h LEU 34 Ca 0.44 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3irh h LEU 34 Cb 0.47 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3irh h LEU 34 CO -0.28 0.87 0.31 0.40 0.09 0.00 0.00 178.44 179.83 3irh h ILE 35 N 0.56 0.93 0.00 1.22 2.04 -0.47 -1.74 117.51 120.05 3irh h ILE 35 Ca 0.11 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3irh h ILE 35 Cb 0.51 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3irh h ILE 35 CO 0.03 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.87 3irh n ASN 36 N -4.86 0.00 -4.76 1.72 3.02 -0.49 -4.19 115.26 105.69 3irh n ASN 36 Ca 0.07 0.31 -0.33 0.00 -0.03 0.00 0.00 54.58 54.60 3irh n ASN 36 Cb 0.18 -0.41 0.06 0.00 -0.61 0.00 0.00 39.78 39.00 3irh n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3irh s SER 37 N -2.83 4.91 0.19 6.41 1.04 -0.65 -4.81 113.70 117.96 3irh s SER 37 Ca 0.12 2.01 -0.12 0.00 0.48 0.00 0.00 55.95 58.43 3irh s SER 37 Cb 0.12 -2.55 0.20 0.00 0.10 0.00 0.00 66.02 63.89 3irh s SER 37 CO 0.30 -1.77 1.72 0.00 0.98 0.00 0.00 173.24 174.47 3irh h ALA 38 N -0.20 0.59 0.00 5.32 0.00 -1.91 -1.32 119.26 121.73 3irh h ALA 38 Ca -0.46 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3irh h ALA 38 Cb 1.25 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3irh h ALA 38 CO 0.53 -0.29 -0.37 1.05 0.00 0.00 0.00 179.25 180.17 3irh h GLU 39 N 0.26 0.00 -0.00 0.00 9.09 -1.92 -2.59 114.58 119.41 3irh h GLU 39 Ca 0.26 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.51 3irh h GLU 39 Cb 0.34 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.45 3irh h GLU 39 CO -0.32 0.17 -0.59 0.28 0.05 0.00 0.00 179.01 178.60 3irh h VAL 40 N 0.00 1.43 -0.74 -1.06 2.07 -1.79 -3.34 116.25 112.82 3irh h VAL 40 Ca -0.01 -2.08 0.15 0.00 0.82 0.00 0.00 66.70 65.58 3irh h VAL 40 Cb 1.16 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 33.48 3irh h VAL 40 CO 0.02 0.60 0.50 1.56 0.02 0.00 0.00 177.57 180.27 3irh h GLN 41 N -0.12 0.38 0.00 1.57 1.08 -1.17 -1.98 115.11 114.88 3irh h GLN 41 Ca -0.07 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3irh h GLN 41 Cb 1.31 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3irh h GLN 41 CO 0.12 0.25 0.00 0.07 -0.95 0.00 0.00 178.83 178.32 3irh h ARG 42 N 0.39 0.00 0.00 1.46 0.11 -1.58 -1.60 114.38 113.16 3irh h ARG 42 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 3irh h ARG 42 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 3irh h ARG 42 CO -0.11 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.24 3irh n LEU 43 N -2.59 0.14 0.26 0.08 4.77 -0.74 -1.63 117.00 117.29 3irh n LEU 43 Ca 0.01 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 3irh n LEU 43 Cb 0.24 -0.51 0.72 0.00 -2.33 0.00 0.00 43.42 41.54 3irh n LEU 43 CO 0.22 -0.27 0.98 0.03 -1.33 0.00 0.00 177.39 177.01 3irh h ARG 44 N 0.00 0.00 -0.66 3.23 3.08 -1.46 -1.90 114.38 116.67 3irh h ARG 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3irh h ARG 44 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3irh h ARG 44 CO 0.00 0.12 0.00 0.54 -1.07 0.00 0.00 179.97 179.56 3irh n ARG 45 N -3.68 3.39 -4.06 0.04 1.74 -0.64 -4.80 116.66 108.64 3irh n ARG 45 Ca -0.02 -2.80 -0.29 0.00 -0.77 0.00 0.00 57.85 53.98 3irh n ARG 45 Cb 0.23 -1.77 -0.17 0.00 -1.02 0.00 0.00 32.46 29.74 3irh n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3irh s ILE 46 N -1.57 1.36 0.28 0.55 1.01 -1.18 -2.22 121.20 119.42 3irh s ILE 46 Ca 0.49 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 3irh s ILE 46 Cb 0.30 -1.30 -0.10 0.00 0.01 0.00 0.00 42.46 41.37 3irh s ILE 46 CO 0.27 0.42 1.37 -0.54 0.00 0.00 0.00 174.94 176.46 3irh s LYS 47 N 1.46 4.32 0.16 2.79 1.02 -1.26 -0.72 119.74 127.52 3irh s LYS 47 Ca 0.03 2.24 -0.15 0.00 0.02 0.00 0.00 55.97 58.11 3irh s LYS 47 Cb -0.13 -3.10 0.05 0.00 -0.52 0.00 0.00 37.83 34.12 3irh s LYS 47 CO -0.08 -0.30 1.81 0.37 -0.92 0.00 0.00 175.35 176.22 3irh h GLN 48 N 4.39 0.67 -0.09 1.68 5.75 -1.04 -3.33 115.11 123.14 3irh h GLN 48 Ca -0.47 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3irh h GLN 48 Cb 1.22 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.63 3irh h GLN 48 CO 0.72 0.47 0.00 1.28 -2.65 0.00 0.00 178.83 178.66 3irh n LEU 49 N -4.71 2.95 0.00 -2.39 4.77 -1.26 -4.97 117.00 111.39 3irh n LEU 49 Ca 0.02 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3irh n LEU 49 Cb 0.04 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3irh n LEU 49 CO 0.35 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3irh n GLY 50 N 1.28 3.71 0.05 -0.72 0.00 -1.25 -2.44 105.19 105.82 3irh n GLY 50 Ca 0.14 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.37 3irh n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3irh n THR 51 N 0.00 0.00 0.27 2.61 -2.24 -1.26 -3.91 114.28 109.76 3irh n THR 51 Ca 0.00 -0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 3irh n THR 51 Cb 0.00 -0.35 0.76 0.00 -2.10 0.00 0.00 70.33 68.64 3irh n THR 51 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3irh h SER 52 N 0.26 0.00 0.06 3.42 0.02 -1.80 -1.71 113.55 113.81 3irh h SER 52 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3irh h SER 52 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3irh h SER 52 CO 0.00 0.04 0.00 -1.54 -1.14 0.00 0.00 176.83 174.19 3irh n SER 53 N -4.11 0.00 0.19 3.07 3.41 -1.25 -0.50 113.62 114.43 3irh n SER 53 Ca -0.03 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 3irh n SER 53 Cb 0.12 -0.47 0.15 0.00 -0.26 0.00 0.00 64.21 63.74 3irh n SER 53 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3irh h PHE 54 N 0.00 0.00 0.00 7.33 -1.00 -1.62 -3.29 116.94 118.37 3irh h PHE 54 Ca 0.00 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.44 3irh h PHE 54 Cb 0.03 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 3irh h PHE 54 CO 0.00 0.00 -2.20 2.41 -1.61 0.00 0.00 178.31 176.91 3irh n THR 55 N -2.97 1.18 -3.77 -1.55 -1.04 -0.15 -4.85 114.28 101.13 3irh n THR 55 Ca 0.03 -0.36 -0.36 0.00 -2.04 0.00 0.00 64.05 61.32 3irh n THR 55 Cb 0.53 -1.56 -0.11 0.00 -1.82 0.00 0.00 70.33 67.36 3irh n THR 55 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3irh s PHE 56 N -2.40 3.56 -0.04 -1.42 0.08 0.34 -4.99 117.98 113.11 3irh s PHE 56 Ca -0.29 -2.49 0.31 0.00 0.12 0.00 0.00 56.93 54.58 3irh s PHE 56 Cb 0.10 -3.21 1.33 0.00 -0.57 0.00 0.00 43.02 40.67 3irh s PHE 56 CO 0.42 -0.95 1.92 1.12 -0.10 0.00 0.00 175.22 177.63 3irh h HIS 57 N 7.85 0.00 0.00 0.36 2.07 -1.81 -1.38 115.15 122.24 3irh h HIS 57 Ca -0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.41 3irh h HIS 57 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 3irh h HIS 57 CO 0.58 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.85 3irh n GLY 58 N -0.12 -1.38 2.27 6.13 0.00 -1.26 -4.39 105.19 106.44 3irh n GLY 58 Ca 0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 3irh n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irh n ALA 59 N -1.56 6.22 0.44 4.61 0.00 -0.52 -4.31 120.51 125.39 3irh n ALA 59 Ca 0.06 -2.43 0.10 0.00 0.00 0.00 0.00 53.44 51.17 3irh n ALA 59 Cb 0.30 -2.87 0.14 0.00 0.00 0.00 0.00 19.45 17.03 3irh n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3irh n GLU 60 N 3.28 2.05 -1.82 0.00 1.02 -1.26 -4.24 120.64 119.67 3irh n GLU 60 Ca 0.55 -1.92 -0.39 0.00 -0.02 0.00 0.00 57.16 55.38 3irh n GLU 60 Cb 0.44 -1.40 0.03 0.00 -0.02 0.00 0.00 31.44 30.49 3irh n GLU 60 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3irh s HIS 61 N -1.41 2.38 0.43 -0.32 -3.43 -1.26 -4.87 115.29 106.81 3irh s HIS 61 Ca 0.28 1.35 0.01 0.00 -0.80 0.00 0.00 55.06 55.90 3irh s HIS 61 Cb 0.18 -3.81 -0.01 0.00 -1.43 0.00 0.00 32.58 27.51 3irh s HIS 61 CO 0.25 -2.82 0.64 -1.54 -2.00 0.00 0.00 174.74 169.27 3irh s SER 62 N -0.83 5.87 0.49 7.38 1.04 -1.26 -0.56 113.70 125.83 3irh s SER 62 Ca 0.68 0.23 0.26 0.00 0.48 0.00 0.00 55.95 57.60 3irh s SER 62 Cb -0.41 -1.52 1.25 0.00 0.10 0.00 0.00 66.02 65.45 3irh s SER 62 CO 0.50 -0.65 1.98 0.03 0.98 0.00 0.00 173.24 176.08 3irh h ARG 63 N 0.48 0.00 0.01 4.02 3.08 -0.77 -3.01 114.38 118.18 3irh h ARG 63 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 3irh h ARG 63 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3irh h ARG 63 CO 0.57 0.16 -0.00 0.35 -1.07 0.00 0.00 179.97 179.98 3irh h PHE 64 N 0.00 -0.01 0.00 3.04 3.57 -1.60 -0.93 116.94 121.02 3irh h PHE 64 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3irh h PHE 64 Cb 0.49 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3irh h PHE 64 CO 0.00 0.25 -0.23 0.66 -2.23 0.00 0.00 178.31 176.76 3irh h SER 65 N -0.26 0.00 -0.34 0.41 4.64 -1.84 -2.24 113.55 113.92 3irh h SER 65 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3irh h SER 65 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3irh h SER 65 CO 0.00 0.23 -0.22 -0.74 -0.87 0.00 0.00 176.83 175.22 3irh h HIS 66 N 0.00 0.88 -0.81 4.77 -0.00 -1.40 -2.00 115.15 116.59 3irh h HIS 66 Ca -0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.12 3irh h HIS 66 Cb 0.42 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 3irh h HIS 66 CO 0.00 0.98 0.48 0.77 -0.00 0.00 0.00 177.93 180.16 3irh h SER 67 N 0.53 0.98 -0.51 3.26 0.02 -0.72 -0.56 113.55 116.55 3irh h SER 67 Ca 0.07 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3irh h SER 67 Cb 0.78 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3irh h SER 67 CO 0.06 0.77 0.01 -0.07 -1.14 0.00 0.00 176.83 176.46 3irh h LEU 68 N 1.11 0.92 -0.62 5.07 4.07 -1.45 -2.28 115.31 122.14 3irh h LEU 68 Ca 0.29 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 3irh h LEU 68 Cb -0.02 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 3irh h LEU 68 CO -0.05 0.97 -0.02 1.23 -1.08 0.00 0.00 178.44 179.49 3irh h GLY 69 N 1.00 1.15 1.12 0.83 0.00 -0.85 -0.53 103.07 105.79 3irh h GLY 69 Ca 0.16 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 3irh h GLY 69 CO 0.02 0.79 0.13 -2.08 0.00 0.00 0.00 176.54 175.41 3irh h VAL 70 N 0.97 1.26 -0.55 4.60 2.07 -1.04 -0.61 116.25 122.95 3irh h VAL 70 Ca 0.17 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 3irh h VAL 70 Cb 0.58 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3irh h VAL 70 CO 0.03 0.38 0.06 0.22 0.02 0.00 0.00 177.57 178.28 3irh h TYR 71 N 1.02 1.00 -0.20 1.57 3.20 -1.22 -1.22 116.97 121.12 3irh h TYR 71 Ca 0.21 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3irh h TYR 71 Cb 0.40 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3irh h TYR 71 CO 0.03 0.89 0.05 1.49 -1.64 0.00 0.00 178.16 178.98 3irh h GLU 72 N 0.81 0.33 -0.82 1.82 4.57 -0.75 0.86 114.58 121.41 3irh h GLU 72 Ca 0.16 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3irh h GLU 72 Cb 0.45 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 3irh h GLU 72 CO 0.02 0.45 0.45 0.82 -1.18 0.00 0.00 179.01 179.57 3irh h ILE 73 N 0.14 1.24 -0.02 2.32 2.04 -1.10 -1.55 117.51 120.59 3irh h ILE 73 Ca 0.06 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3irh h ILE 73 Cb 0.28 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3irh h ILE 73 CO 0.00 0.27 -0.08 0.74 0.00 0.00 0.00 178.15 179.08 3irh h THR 74 N 1.13 0.80 -0.47 -0.27 2.02 -0.94 -1.42 112.91 113.76 3irh h THR 74 Ca 0.29 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.56 3irh h THR 74 Cb 0.02 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 3irh h THR 74 CO -0.05 0.00 -0.11 -0.09 0.37 0.00 0.00 175.52 175.64 3irh h ARG 75 N -0.13 0.00 -0.43 6.66 2.43 -0.56 -0.71 114.38 121.65 3irh h ARG 75 Ca 0.04 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3irh h ARG 75 Cb 0.17 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3irh h ARG 75 CO -0.09 0.00 0.28 0.00 -1.51 0.00 0.00 179.97 178.65 3irh h ARG 76 N 0.00 0.54 -0.09 0.20 3.08 -0.97 -1.33 114.38 115.81 3irh h ARG 76 Ca 0.22 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3irh h ARG 76 Cb 0.34 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3irh h ARG 76 CO -0.48 0.36 -0.02 0.82 -1.07 0.00 0.00 179.97 179.58 3irh h ILE 77 N 0.56 1.29 -0.72 2.04 2.04 -0.16 -2.81 117.51 119.75 3irh h ILE 77 Ca 0.16 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3irh h ILE 77 Cb -0.04 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3irh h ILE 77 CO -0.04 0.27 0.43 0.00 0.00 0.00 0.00 178.15 178.81 3irh h GLU 79 N 0.79 0.82 -0.24 0.00 4.39 -1.28 0.47 114.58 119.53 3irh h GLU 79 Ca 0.32 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 3irh h GLU 79 Cb 0.15 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3irh h GLU 79 CO -0.17 0.64 -0.11 0.82 -1.16 0.00 0.00 179.01 179.03 3irh h ILE 80 N 0.79 1.30 -0.58 3.13 2.04 -1.19 0.63 117.51 123.62 3irh h ILE 80 Ca 0.20 -1.17 0.07 0.00 1.00 0.00 0.00 64.86 64.96 3irh h ILE 80 Cb 0.06 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 3irh h ILE 80 CO -0.03 0.36 0.27 -0.26 0.00 0.00 0.00 178.15 178.49 3irh h PHE 81 N 0.23 0.48 -0.37 1.37 0.05 -0.97 0.15 116.94 117.88 3irh h PHE 81 Ca 0.06 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.80 3irh h PHE 81 Cb 0.60 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.41 3irh h PHE 81 CO 0.06 0.19 -0.05 0.37 -0.18 0.00 0.00 178.31 178.70 3irh h GLN 82 N 0.50 0.70 -0.56 1.51 5.75 -0.70 0.34 115.11 122.64 3irh h GLN 82 Ca 0.27 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.44 3irh h GLN 82 Cb 0.25 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3irh h GLN 82 CO -0.23 0.83 0.03 -0.09 -2.65 0.00 0.00 178.83 176.72 3irh h ARG 83 N 0.51 0.97 0.00 1.69 9.65 -0.59 -3.36 114.38 123.25 3irh h ARG 83 Ca 0.10 -0.30 -0.14 0.00 -1.10 0.00 0.00 59.98 58.54 3irh h ARG 83 Cb 0.55 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 3irh h ARG 83 CO 0.03 0.96 -1.63 0.09 2.80 0.00 0.00 179.97 182.22 3irh n ASN 84 N -4.27 2.59 -2.66 -3.80 3.02 0.51 -4.83 115.26 105.82 3irh n ASN 84 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.49 3irh n ASN 84 Cb 0.32 0.89 0.04 0.00 -0.61 0.00 0.00 39.78 40.42 3irh n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3irh n TYR 85 N -2.26 1.56 -1.71 3.10 4.02 0.11 -5.01 117.16 116.97 3irh n TYR 85 Ca -0.13 -2.46 -0.31 0.00 -0.01 0.00 0.00 57.90 54.99 3irh n TYR 85 Cb 0.71 -0.28 0.03 0.00 -0.02 0.00 0.00 39.34 39.78 3irh n TYR 85 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3irh s SER 86 N -3.52 5.66 0.36 7.72 1.04 -0.93 0.51 113.70 124.55 3irh s SER 86 Ca 0.31 1.58 0.03 0.00 0.48 0.00 0.00 55.95 58.36 3irh s SER 86 Cb 0.39 -2.49 0.68 0.00 0.10 0.00 0.00 66.02 64.69 3irh s SER 86 CO -0.02 -1.25 2.00 -0.37 0.98 0.00 0.00 173.24 174.59 3irh h VAL 87 N -0.48 1.12 -0.87 5.02 -1.51 -1.40 -0.80 116.25 117.34 3irh h VAL 87 Ca -0.44 -0.28 0.23 0.00 -1.23 0.00 0.00 66.70 64.98 3irh h VAL 87 Cb 1.20 0.24 -0.15 0.00 -2.13 0.00 0.00 31.29 30.46 3irh h VAL 87 CO 0.58 0.15 0.16 -0.08 -1.23 0.00 0.00 177.57 177.15 3irh h GLU 88 N 0.81 0.15 0.04 5.19 4.57 -1.87 0.45 114.58 123.92 3irh h GLU 88 Ca 0.24 -0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 58.08 3irh h GLU 88 Cb -0.01 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 3irh h GLU 88 CO -0.06 0.10 -2.00 -2.13 -1.18 0.00 0.00 179.01 173.73 3irh n ARG 89 N -5.29 0.68 -0.00 1.92 0.63 -0.76 -4.65 116.66 109.19 3irh n ARG 89 Ca 0.20 0.22 0.01 0.00 -0.92 0.00 0.00 57.85 57.36 3irh n ARG 89 Cb 0.66 -1.69 -0.01 0.00 0.45 0.00 0.00 32.46 31.87 3irh n ARG 89 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3irh n LEU 90 N -3.16 0.10 0.00 6.15 4.77 -0.38 -5.04 117.00 119.45 3irh n LEU 90 Ca -0.28 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3irh n LEU 90 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 3irh n LEU 90 CO 0.42 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3irh n GLY 91 N 1.18 2.87 0.25 -0.72 0.00 0.16 -3.41 105.19 105.51 3irh n GLY 91 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.88 3irh n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3irh h GLU 92 N 0.00 0.00 -0.01 1.61 4.81 -1.95 -0.78 114.58 118.25 3irh h GLU 92 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3irh h GLU 92 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3irh h GLU 92 CO 0.00 0.11 -0.09 0.09 -0.73 0.00 0.00 179.01 178.39 3irh n ASN 93 N -4.16 1.49 -4.73 1.04 3.02 -1.22 -3.77 115.26 106.92 3irh n ASN 93 Ca -0.03 -1.36 -0.23 0.00 -0.03 0.00 0.00 54.58 52.94 3irh n ASN 93 Cb 0.19 0.05 0.10 0.00 -0.61 0.00 0.00 39.78 39.51 3irh n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3irh s GLY 94 N -2.16 1.76 -0.16 7.41 0.00 -0.30 -3.07 107.32 110.80 3irh s GLY 94 Ca 0.33 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.18 3irh s GLY 94 CO 0.39 -1.24 0.15 0.86 0.00 0.00 0.00 173.10 173.27 3irh s TRP 95 N -3.06 3.49 -0.40 1.90 -0.11 0.18 -4.55 118.94 116.39 3irh s TRP 95 Ca 0.65 0.43 -0.12 0.00 1.22 0.00 0.00 56.10 58.28 3irh s TRP 95 Cb -0.05 -2.09 0.04 0.00 -1.50 0.00 0.00 33.47 29.86 3irh s TRP 95 CO 0.43 0.46 0.26 1.21 -4.62 0.00 0.00 176.95 174.70 3irh s ASN 96 N -0.19 5.88 0.04 5.86 2.47 -1.26 -1.28 114.94 126.46 3irh s ASN 96 Ca 0.11 -1.07 0.13 0.00 0.42 0.00 0.00 52.86 52.45 3irh s ASN 96 Cb -0.12 -2.08 0.57 0.00 -1.45 0.00 0.00 41.25 38.18 3irh s ASN 96 CO 0.01 -0.45 1.42 -0.67 -3.72 0.00 0.00 177.10 173.68 3irh n ASP 97 N 5.06 0.10 0.23 -4.21 4.64 -1.26 -1.25 116.55 119.86 3irh n ASP 97 Ca -0.11 0.53 0.17 0.00 -1.38 0.00 0.00 54.79 54.00 3irh n ASP 97 Cb 0.46 -0.55 0.87 0.00 -1.04 0.00 0.00 41.12 40.85 3irh n ASP 97 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 3irh h ASP 98 N 0.00 0.00 1.07 1.67 3.32 -2.04 -2.59 116.42 117.86 3irh h ASP 98 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3irh h ASP 98 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3irh h ASP 98 CO 0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 3irh n GLU 99 N -3.67 0.05 0.07 3.56 -0.58 -0.38 -4.33 120.64 115.36 3irh n GLU 99 Ca 0.01 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.66 3irh n GLU 99 Cb 0.30 -1.56 -0.07 0.00 -0.57 0.00 0.00 31.44 29.53 3irh n GLU 99 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3irh h ARG 100 N 0.00 -0.58 -0.29 3.49 2.43 -1.65 -1.65 114.38 116.13 3irh h ARG 100 Ca 0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3irh h ARG 100 Cb 0.54 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 3irh h ARG 100 CO 0.00 -0.39 0.03 1.25 -1.51 0.00 0.00 179.97 179.35 3irh h LEU 101 N -0.61 -0.06 -0.89 3.80 5.85 -1.82 0.15 115.31 121.74 3irh h LEU 101 Ca 0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3irh h LEU 101 Cb 0.67 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3irh h LEU 101 CO -0.32 0.01 0.46 -0.29 -0.34 0.00 0.00 178.44 177.96 3irh h ILE 102 N 0.12 1.26 -0.45 4.05 2.10 -1.83 -1.57 117.51 121.20 3irh h ILE 102 Ca 0.14 -0.68 -0.06 0.00 1.08 0.00 0.00 64.86 65.33 3irh h ILE 102 Cb 0.17 0.09 -0.02 0.00 -1.09 0.00 0.00 36.82 35.97 3irh h ILE 102 CO -0.21 0.30 0.04 0.74 -1.08 0.00 0.00 178.15 177.94 3irh h THR 103 N 1.25 1.25 -0.37 2.19 2.02 -0.18 -1.84 112.91 117.22 3irh h THR 103 Ca 0.31 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 3irh h THR 103 Cb 0.07 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3irh h THR 103 CO -0.05 0.34 -0.15 -0.07 0.37 0.00 0.00 175.52 175.96 3irh h LEU 104 N 0.62 0.67 0.03 2.58 3.38 -0.50 -1.58 115.31 120.51 3irh h LEU 104 Ca 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3irh h LEU 104 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3irh h LEU 104 CO 0.02 0.83 -0.01 0.00 0.09 0.00 0.00 178.44 179.37 3irh h ALA 106 N 0.48 0.85 -0.06 0.00 0.00 -1.35 0.16 119.26 119.34 3irh h ALA 106 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3irh h ALA 106 Cb 0.44 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3irh h ALA 106 CO 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 179.25 178.97 3irh h ALA 107 N 1.56 0.07 -0.65 0.00 0.00 -1.23 -0.19 119.26 118.82 3irh h ALA 107 Ca 0.37 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3irh h ALA 107 Cb 0.60 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3irh h ALA 107 CO -0.47 -0.41 0.25 1.25 0.00 0.00 0.00 179.25 179.87 3irh h LEU 108 N 0.04 0.87 -1.63 0.00 5.85 -0.93 -3.17 115.31 116.33 3irh h LEU 108 Ca 0.02 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3irh h LEU 108 Cb 0.04 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3irh h LEU 108 CO -0.00 0.78 0.00 0.18 -0.34 0.00 0.00 178.44 179.06 3irh n LEU 109 N -4.31 2.51 0.17 2.25 4.77 0.53 -4.54 117.00 118.38 3irh n LEU 109 Ca 0.06 -0.91 0.16 0.00 -0.03 0.00 0.00 56.01 55.28 3irh n LEU 109 Cb 0.18 -0.06 0.75 0.00 -2.33 0.00 0.00 43.42 41.96 3irh n LEU 109 CO 0.39 0.46 1.14 1.12 -1.33 0.00 0.00 177.39 179.17 3irh h HIS 110 N 3.72 0.00 -0.13 -1.77 2.07 -1.01 -2.50 115.15 115.54 3irh h HIS 110 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3irh h HIS 110 Cb 0.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 3irh h HIS 110 CO 0.06 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 174.67 3irh n ASP 111 N -4.13 2.45 0.28 3.10 8.00 -1.26 -4.74 116.55 120.25 3irh n ASP 111 Ca 0.02 -2.19 0.12 0.00 0.71 0.00 0.00 54.79 53.46 3irh n ASP 111 Cb 0.33 -0.15 0.79 0.00 -0.02 0.00 0.00 41.12 42.06 3irh n ASP 111 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3irh h VAL 112 N 0.75 0.69 0.00 2.53 3.04 -1.74 -0.80 116.25 120.71 3irh h VAL 112 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3irh h VAL 112 Cb 0.69 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 3irh h VAL 112 CO 0.02 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 177.23 3irh n GLY 113 N -1.21 -1.19 3.74 3.17 0.00 -1.26 -4.84 105.19 103.60 3irh n GLY 113 Ca -0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3irh n GLY 113 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3irh s HIS 114 N -2.72 2.93 0.00 1.61 3.76 -0.31 -4.56 115.29 116.00 3irh s HIS 114 Ca 0.19 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 3irh s HIS 114 Cb 0.16 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.90 3irh s HIS 114 CO 0.40 -3.29 0.00 0.41 -0.85 0.00 0.00 174.74 171.41 3irh n GLY 115 N 2.69 3.21 3.75 -2.22 0.00 -1.26 -5.02 105.19 106.33 3irh n GLY 115 Ca 0.10 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 3irh n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3irh s PRO 116 N -1.99 4.55 -1.16 1.61 0.04 -1.26 -3.72 135.00 133.07 3irh s PRO 116 Ca 0.00 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 3irh s PRO 116 Cb 0.00 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3irh s PRO 116 CO 0.00 0.04 0.74 0.66 0.04 0.00 0.00 177.00 178.48 3irh n TYR 117 N 1.84 -1.68 0.03 0.56 4.02 -1.26 -4.63 117.16 116.04 3irh n TYR 117 Ca 0.02 0.28 -0.12 0.00 -0.01 0.00 0.00 57.90 58.07 3irh n TYR 117 Cb 0.45 -3.11 -0.06 0.00 -0.02 0.00 0.00 39.34 36.60 3irh n TYR 117 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3irh h SER 118 N -2.18 -1.18 -0.50 7.72 0.02 -1.95 -1.30 113.55 114.17 3irh h SER 118 Ca -0.68 0.15 0.10 0.00 -0.84 0.00 0.00 61.79 60.52 3irh h SER 118 Cb 1.38 0.48 -0.10 0.00 0.14 0.00 0.00 62.40 64.29 3irh h SER 118 CO 0.49 -0.42 -0.21 0.45 -1.14 0.00 0.00 176.83 176.00 3irh h HIS 119 N -0.50 -0.52 -0.37 3.45 3.86 -1.91 0.20 115.15 119.36 3irh h HIS 119 Ca 0.07 0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3irh h HIS 119 Cb 0.61 0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 3irh h HIS 119 CO -0.43 -0.30 -0.02 1.15 0.86 0.00 0.00 177.93 179.20 3irh h THR 120 N -0.10 1.26 -0.27 2.45 2.02 -1.83 -2.30 112.91 114.14 3irh h THR 120 Ca 0.24 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3irh h THR 120 Cb 0.46 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3irh h THR 120 CO -0.57 0.34 0.07 0.15 0.37 0.00 0.00 175.52 175.89 3irh h PHE 121 N 0.48 0.44 0.00 3.16 3.57 -0.36 -2.00 116.94 122.22 3irh h PHE 121 Ca 0.10 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3irh h PHE 121 Cb 0.49 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3irh h PHE 121 CO 0.04 0.49 -0.38 0.93 -2.23 0.00 0.00 178.31 177.16 3irh h GLU 122 N 0.26 0.00 -0.55 1.11 5.08 -0.70 0.33 114.58 120.12 3irh h GLU 122 Ca 0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3irh h GLU 122 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3irh h GLU 122 CO -0.00 0.38 -0.03 1.25 -1.00 0.00 0.00 179.01 179.61 3irh h HIS 123 N 0.00 1.09 0.11 4.33 2.76 -0.99 -1.92 115.15 120.53 3irh h HIS 123 Ca -0.00 -0.20 -0.33 0.00 -2.20 0.00 0.00 60.37 57.63 3irh h HIS 123 Cb 0.75 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 3irh h HIS 123 CO 0.00 0.99 -1.80 0.82 -1.30 0.00 0.00 177.93 176.64 3irh h ILE 124 N 0.87 0.73 -0.20 6.26 1.08 -0.97 -3.39 117.51 121.89 3irh h ILE 124 Ca 0.15 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.29 3irh h ILE 124 Cb 0.58 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.82 3irh h ILE 124 CO 0.03 0.78 0.00 0.49 -0.69 0.00 0.00 178.15 178.77 3irh n PHE 125 N -3.69 0.25 -3.86 1.37 3.01 0.11 -4.99 117.46 109.66 3irh n PHE 125 Ca -0.31 -0.16 -0.25 0.00 1.01 0.00 0.00 57.45 57.75 3irh n PHE 125 Cb 0.98 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.45 3irh n PHE 125 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3irh n ASP 126 N 1.14 -1.41 -4.95 4.37 -0.08 -0.72 -4.97 116.55 109.93 3irh n ASP 126 Ca 0.14 -0.90 -0.23 0.00 -1.51 0.00 0.00 54.79 52.29 3irh n ASP 126 Cb 0.51 -3.56 0.01 0.00 2.34 0.00 0.00 41.12 40.41 3irh n ASP 126 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3irh s THR 127 N -3.71 4.26 -0.18 5.18 -4.23 -1.24 -5.05 115.64 110.67 3irh s THR 127 Ca 0.13 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 3irh s THR 127 Cb -0.07 -3.57 0.06 0.00 1.34 0.00 0.00 72.50 70.26 3irh s THR 127 CO 0.85 -0.41 0.05 0.21 -0.54 0.00 0.00 174.62 174.79 3irh s ASN 128 N -4.18 2.62 0.45 3.99 3.84 -1.26 -4.70 114.94 115.71 3irh s ASN 128 Ca 0.47 -0.70 0.25 0.00 0.21 0.00 0.00 52.86 53.08 3irh s ASN 128 Cb -0.10 -0.45 1.00 0.00 -0.55 0.00 0.00 41.25 41.15 3irh s ASN 128 CO 0.38 -0.32 1.86 1.12 -2.79 0.00 0.00 177.10 177.36 3irh h HIS 129 N 8.31 0.00 -0.18 0.43 2.07 -1.99 -2.11 115.15 121.68 3irh h HIS 129 Ca -0.16 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.20 3irh h HIS 129 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 3irh h HIS 129 CO 0.25 0.21 -0.51 1.49 -3.07 0.00 0.00 177.93 176.29 3irh h GLU 130 N 0.00 0.66 -0.50 5.12 4.81 -1.95 -0.76 114.58 121.97 3irh h GLU 130 Ca -0.00 -0.47 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 3irh h GLU 130 Cb 0.69 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3irh h GLU 130 CO 0.03 1.09 -0.14 0.00 -0.73 0.00 0.00 179.01 179.26 3irh h ALA 131 N 0.57 0.81 -0.49 2.92 0.00 -1.93 -2.16 119.26 118.97 3irh h ALA 131 Ca -0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3irh h ALA 131 Cb 1.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3irh h ALA 131 CO 0.11 0.66 0.08 0.82 0.00 0.00 0.00 179.25 180.92 3irh h ILE 132 N 0.84 1.23 -0.05 0.00 2.04 -1.42 0.94 117.51 121.08 3irh h ILE 132 Ca 0.13 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3irh h ILE 132 Cb 0.69 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3irh h ILE 132 CO 0.05 0.31 -0.08 0.74 0.00 0.00 0.00 178.15 179.17 3irh h THR 133 N 0.74 0.78 -0.63 -0.27 2.02 -0.91 0.48 112.91 115.12 3irh h THR 133 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 3irh h THR 133 Cb 0.34 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3irh h THR 133 CO 0.01 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.82 3irh h VAL 134 N -0.11 1.20 -0.73 3.16 2.07 -1.19 -2.07 116.25 118.57 3irh h VAL 134 Ca 0.05 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3irh h VAL 134 Cb 0.18 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3irh h VAL 134 CO -0.12 0.22 0.48 -0.61 0.02 0.00 0.00 177.57 177.56 3irh h GLN 135 N 0.86 0.78 -0.29 1.57 4.15 -0.63 -1.33 115.11 120.21 3irh h GLN 135 Ca 0.22 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.42 3irh h GLN 135 Cb 0.05 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 3irh h GLN 135 CO -0.03 0.52 -0.48 0.82 -1.93 0.00 0.00 178.83 177.72 3irh h ILE 136 N 0.80 1.28 -0.19 2.39 2.04 -0.33 -2.34 117.51 121.17 3irh h ILE 136 Ca 0.31 -1.67 -0.12 0.00 1.00 0.00 0.00 64.86 64.38 3irh h ILE 136 Cb 0.19 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3irh h ILE 136 CO -0.10 0.54 -0.40 0.40 0.00 0.00 0.00 178.15 178.59 3irh h ILE 137 N 0.61 1.30 -0.16 -0.67 2.04 -1.18 -3.32 117.51 116.13 3irh h ILE 137 Ca 0.02 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.34 3irh h ILE 137 Cb 1.08 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3irh h ILE 137 CO 0.11 0.47 0.00 0.35 0.00 0.00 0.00 178.15 179.08 3irh n THR 138 N -4.03 0.27 -3.85 -0.27 -2.24 -0.52 -4.27 114.28 99.38 3irh n THR 138 Ca -0.01 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.77 3irh n THR 138 Cb 0.49 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.72 3irh n THR 138 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3irh s SER 139 N -1.30 4.96 0.57 3.42 0.01 -0.89 -4.99 113.70 115.48 3irh s SER 139 Ca 0.24 -0.22 0.28 0.00 1.31 0.00 0.00 55.95 57.55 3irh s SER 139 Cb 0.15 -1.88 1.51 0.00 0.21 0.00 0.00 66.02 66.02 3irh s SER 139 CO 0.22 -0.01 1.83 -0.65 0.41 0.00 0.00 173.24 175.04 3irh h PRO 140 N 8.02 0.00 0.00 12.44 0.11 -1.91 -1.94 132.00 148.72 3irh h PRO 140 Ca -0.38 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3irh h PRO 140 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3irh h PRO 140 CO 0.59 0.00 -0.21 1.05 -0.21 0.00 0.00 178.00 179.22 3irh h GLU 141 N 0.00 0.00 -6.50 1.05 4.11 -1.95 -3.43 114.58 107.86 3irh h GLU 141 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 3irh h GLU 141 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3irh h GLU 141 CO 0.00 0.21 -0.02 0.95 0.07 0.00 0.00 179.01 180.22 3irh s THR 142 N -3.48 4.79 0.28 -1.06 -4.23 -0.73 -4.98 115.64 106.23 3irh s THR 142 Ca 0.02 0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 61.32 3irh s THR 142 Cb 0.09 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.47 3irh s THR 142 CO 0.64 0.03 1.91 -0.33 -0.54 0.00 0.00 174.62 176.34 3irh h GLU 143 N 2.89 1.07 -0.11 3.99 5.08 -1.89 -2.27 114.58 123.34 3irh h GLU 143 Ca -0.48 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 57.82 3irh h GLU 143 Cb 1.18 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.15 3irh h GLU 143 CO 0.67 0.77 -0.31 0.28 -1.00 0.00 0.00 179.01 179.42 3irh h VAL 144 N 1.09 0.30 -0.19 3.13 2.07 -1.94 -1.11 116.25 119.60 3irh h VAL 144 Ca 0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.83 3irh h VAL 144 Cb -0.01 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3irh h VAL 144 CO -0.05 0.00 0.01 0.22 0.02 0.00 0.00 177.57 177.78 3irh h TYR 145 N -0.40 0.02 -0.86 1.57 3.20 -1.59 -0.72 116.97 118.19 3irh h TYR 145 Ca 0.09 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.16 3irh h TYR 145 Cb 0.54 0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.72 3irh h TYR 145 CO -0.39 -0.01 0.38 1.96 -1.64 0.00 0.00 178.16 178.46 3irh h GLN 146 N 0.08 0.44 -0.14 1.82 1.08 -1.19 0.41 115.11 117.62 3irh h GLN 146 Ca 0.09 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3irh h GLN 146 Cb 0.10 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3irh h GLN 146 CO -0.14 0.29 -0.05 0.82 -0.95 0.00 0.00 178.83 178.80 3irh h ILE 147 N 0.45 1.30 -0.63 2.54 2.04 -0.59 -2.57 117.51 120.06 3irh h ILE 147 Ca 0.51 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3irh h ILE 147 Cb 0.89 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 3irh h ILE 147 CO -0.47 0.30 0.25 -0.07 0.00 0.00 0.00 178.15 178.15 3irh h LEU 148 N -0.05 0.87 -2.00 1.44 3.38 -0.68 -2.77 115.31 115.50 3irh h LEU 148 Ca 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3irh h LEU 148 Cb 0.49 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3irh h LEU 148 CO 0.02 0.80 -0.09 -1.13 0.09 0.00 0.00 178.44 178.13 3irh h ASN 149 N 0.88 0.00 0.72 -0.43 -1.24 -0.18 -1.94 115.58 113.38 3irh h ASN 149 Ca 0.21 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.16 3irh h ASN 149 Cb 0.21 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 3irh h ASN 149 CO -0.02 0.09 -0.29 -0.09 -1.29 0.00 0.00 177.43 175.84 3irh h ARG 150 N 0.00 0.00 -0.20 6.67 2.43 -1.16 -3.04 114.38 119.08 3irh h ARG 150 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3irh h ARG 150 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3irh h ARG 150 CO 0.01 0.29 0.02 0.28 -1.51 0.00 0.00 179.97 179.06 3irh h VAL 151 N 0.00 1.23 -1.06 0.20 2.07 -1.36 -3.45 116.25 113.88 3irh h VAL 151 Ca -0.00 -0.77 0.32 0.00 0.82 0.00 0.00 66.70 67.06 3irh h VAL 151 Cb 0.72 1.35 -0.22 0.00 -1.52 0.00 0.00 31.29 31.63 3irh h VAL 151 CO 0.04 0.24 0.98 -0.94 0.02 0.00 0.00 177.57 177.90 3irh s SER 152 N -5.79 -0.02 0.32 0.57 1.04 -1.15 -4.67 113.70 104.00 3irh s SER 152 Ca -0.14 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.34 3irh s SER 152 Cb 0.07 0.02 0.67 0.00 0.10 0.00 0.00 66.02 66.87 3irh s SER 152 CO 0.72 -0.03 1.87 0.00 0.98 0.00 0.00 173.24 176.78 3irh h ALA 153 N 2.00 1.65 -0.18 5.32 0.00 -1.89 -2.20 119.26 123.97 3irh h ALA 153 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3irh h ALA 153 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3irh h ALA 153 CO 0.19 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 3irh n ASP 154 N -4.57 2.18 -0.02 0.00 5.75 -1.26 -4.40 116.55 114.22 3irh n ASP 154 Ca 0.17 -1.77 -0.16 0.00 -0.01 0.00 0.00 54.79 53.02 3irh n ASP 154 Cb 0.37 -0.11 -0.09 0.00 -1.03 0.00 0.00 41.12 40.26 3irh n ASP 154 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3irh h PHE 155 N 2.99 0.65 -0.58 2.11 3.57 -1.66 -1.80 116.94 122.22 3irh h PHE 155 Ca 0.00 -0.30 0.09 0.00 3.53 0.00 0.00 57.97 61.30 3irh h PHE 155 Cb 0.65 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.22 3irh h PHE 155 CO 0.11 1.08 0.19 -1.35 -2.23 0.00 0.00 178.31 176.11 3irh h PRO 156 N 0.03 0.34 -0.56 6.41 0.11 -1.76 -0.62 132.00 135.94 3irh h PRO 156 Ca -0.04 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 3irh h PRO 156 Cb 1.16 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3irh h PRO 156 CO 0.10 0.22 0.02 0.93 -0.21 0.00 0.00 178.00 179.07 3irh h GLU 157 N 0.35 0.95 -0.31 1.05 4.39 -1.85 -1.15 114.58 118.01 3irh h GLU 157 Ca 0.30 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3irh h GLU 157 Cb 0.38 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3irh h GLU 157 CO -0.32 0.93 0.18 0.87 -1.16 0.00 0.00 179.01 179.50 3irh h LYS 158 N 0.88 0.36 -0.59 2.33 1.57 -0.78 0.17 116.57 120.51 3irh h LYS 158 Ca 0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3irh h LYS 158 Cb 0.49 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3irh h LYS 158 CO 0.02 0.24 0.35 0.28 -0.57 0.00 0.00 179.45 179.77 3irh h VAL 159 N 0.37 1.18 -0.93 0.50 2.07 -0.92 -2.09 116.25 116.43 3irh h VAL 159 Ca 0.12 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.29 3irh h VAL 159 Cb 0.00 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 3irh h VAL 159 CO -0.06 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.32 3irh h ALA 160 N 1.18 1.44 0.00 1.67 0.00 -0.94 -2.68 119.26 119.93 3irh h ALA 160 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3irh h ALA 160 Cb -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3irh h ALA 160 CO -0.04 0.45 -0.15 0.66 0.00 0.00 0.00 179.25 180.17 3irh h SER 161 N 1.13 0.00 -0.18 0.00 4.64 -0.30 -0.37 113.55 118.47 3irh h SER 161 Ca 0.38 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 3irh h SER 161 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3irh h SER 161 CO -0.13 0.15 -0.07 0.58 -0.87 0.00 0.00 176.83 176.49 3irh h VAL 162 N 0.00 1.30 -0.49 0.95 2.07 -1.10 0.53 116.25 119.51 3irh h VAL 162 Ca -0.00 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 3irh h VAL 162 Cb 0.55 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3irh h VAL 162 CO 0.02 0.33 0.23 0.40 0.02 0.00 0.00 177.57 178.56 3irh h ILE 163 N 0.05 1.19 0.00 4.57 1.08 -1.29 -1.74 117.51 121.37 3irh h ILE 163 Ca 0.04 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3irh h ILE 163 Cb 0.53 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 3irh h ILE 163 CO 0.02 0.22 0.00 0.35 -0.69 0.00 0.00 178.15 178.05 3irh n THR 164 N -4.61 0.00 -1.86 -0.27 -2.24 -0.21 -4.89 114.28 100.21 3irh n THR 164 Ca 0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 3irh n THR 164 Cb 0.12 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 3irh n THR 164 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3irh n LYS 165 N -0.99 -1.12 0.00 -0.78 5.02 -0.66 -4.89 118.16 114.75 3irh n LYS 165 Ca 0.19 0.88 0.10 0.00 -2.02 0.00 0.00 58.31 57.46 3irh n LYS 165 Cb 0.09 -5.11 -0.08 0.00 -0.02 0.00 0.00 35.03 29.91 3irh n LYS 165 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3irh n GLN 166 N -2.50 0.10 -1.67 1.97 6.02 0.16 -4.96 117.38 116.50 3irh n GLN 166 Ca -0.16 -0.02 -0.45 0.00 -0.01 0.00 0.00 57.00 56.35 3irh n GLN 166 Cb 0.56 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 3irh n GLN 166 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3irh n TYR 167 N -1.62 2.19 1.25 1.08 9.36 0.09 -4.84 117.16 124.67 3irh n TYR 167 Ca 0.03 0.38 0.07 0.00 3.32 0.00 0.00 57.90 61.69 3irh n TYR 167 Cb 0.37 -2.49 0.40 0.00 -0.63 0.00 0.00 39.34 36.99 3irh n TYR 167 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3irh n PRO 168 N 2.56 0.63 -3.69 2.98 -0.04 -1.26 -4.57 135.00 131.60 3irh n PRO 168 Ca 0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 3irh n PRO 168 Cb 0.30 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 3irh n PRO 168 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3irh s ASN 169 N -1.80 5.41 0.40 3.54 3.84 -1.26 -4.99 114.94 120.07 3irh s ASN 169 Ca 0.20 -0.81 0.19 0.00 0.21 0.00 0.00 52.86 52.65 3irh s ASN 169 Cb 0.09 -1.94 0.81 0.00 -0.55 0.00 0.00 41.25 39.67 3irh s ASN 169 CO 0.16 -0.26 1.81 -0.65 -2.79 0.00 0.00 177.10 175.36 3irh h PRO 170 N 8.31 0.00 -0.78 0.43 0.11 -1.87 -2.36 132.00 135.84 3irh h PRO 170 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 3irh h PRO 170 Cb 1.12 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3irh h PRO 170 CO 0.62 0.34 0.31 1.96 -0.21 0.00 0.00 178.00 181.02 3irh h GLN 171 N 0.00 1.16 -0.01 1.05 4.20 -1.85 -1.76 115.11 117.90 3irh h GLN 171 Ca -0.00 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3irh h GLN 171 Cb 0.75 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3irh h GLN 171 CO 0.04 0.94 -0.03 0.28 -0.67 0.00 0.00 178.83 179.40 3irh h VAL 172 N 1.13 1.53 -0.67 -0.54 2.07 -1.87 -2.48 116.25 115.42 3irh h VAL 172 Ca 0.26 -1.60 0.09 0.00 0.82 0.00 0.00 66.70 66.26 3irh h VAL 172 Cb 0.21 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.52 3irh h VAL 172 CO -0.02 0.42 0.32 0.58 0.02 0.00 0.00 177.57 178.89 3irh h VAL 173 N -0.63 0.85 0.00 2.57 2.07 -1.45 -2.62 116.25 117.04 3irh h VAL 173 Ca -0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3irh h VAL 173 Cb 0.70 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3irh h VAL 173 CO 0.01 0.10 -0.14 1.56 0.02 0.00 0.00 177.57 179.12 3irh h GLN 174 N 0.56 0.00 -0.28 1.57 4.20 -1.39 -0.04 115.11 119.74 3irh h GLN 174 Ca 0.33 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.92 3irh h GLN 174 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3irh h GLN 174 CO -0.26 0.08 -0.30 1.98 -0.67 0.00 0.00 178.83 179.67 3irh h MET 175 N 0.00 0.58 0.21 1.46 4.05 -1.07 -3.17 114.93 116.98 3irh h MET 175 Ca -0.00 -0.25 -0.33 0.00 -0.28 0.00 0.00 59.70 58.84 3irh h MET 175 Cb 1.07 -0.02 0.02 0.00 -0.80 0.00 0.00 31.60 31.87 3irh h MET 175 CO 0.01 0.81 -1.56 0.82 0.23 0.00 0.00 176.91 177.22 3irh h ILE 176 N 0.50 1.17 -2.14 1.77 1.08 -1.34 -3.18 117.51 115.37 3irh h ILE 176 Ca 0.06 -2.68 -0.22 0.00 -0.39 0.00 0.00 64.86 61.63 3irh h ILE 176 Cb 0.77 2.91 -0.32 0.00 -3.07 0.00 0.00 36.82 37.11 3irh h ILE 176 CO 0.06 0.84 -0.54 -0.55 -0.69 0.00 0.00 178.15 177.26 3irh s SER 177 N -7.38 0.74 0.00 1.72 0.15 -0.04 -4.51 113.70 104.38 3irh s SER 177 Ca -0.11 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.54 3irh s SER 177 Cb 0.05 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 3irh s SER 177 CO 0.90 -0.32 0.00 -1.54 1.20 0.00 0.00 173.24 173.48 3irh n SER 178 N 5.34 0.00 -0.11 5.45 3.41 -1.25 -4.05 113.62 122.41 3irh n SER 178 Ca -0.04 -0.67 -0.11 0.00 -0.26 0.00 0.00 58.87 57.79 3irh n SER 178 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 3irh n SER 178 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3irh h GLN 179 N 0.00 0.65 -3.26 4.33 1.08 -1.90 -3.34 115.11 112.66 3irh h GLN 179 Ca 0.00 -0.25 -0.63 0.00 -1.45 0.00 0.00 58.65 56.32 3irh h GLN 179 Cb 0.00 -0.04 -0.41 0.00 -0.05 0.00 0.00 27.48 26.98 3irh h GLN 179 CO 0.00 0.81 -0.60 0.42 -0.95 0.00 0.00 178.83 178.52 3irh s ILE 180 N -4.79 2.74 0.48 2.54 1.01 -1.26 -4.97 121.20 116.95 3irh s ILE 180 Ca -0.13 -3.73 0.04 0.00 0.00 0.00 0.00 60.65 56.83 3irh s ILE 180 Cb 0.09 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3irh s ILE 180 CO 0.79 -0.89 0.06 1.51 0.00 0.00 0.00 174.94 176.41 3irh s ASP 181 N -0.77 4.14 0.27 3.58 1.47 -1.26 -5.00 116.67 119.09 3irh s ASP 181 Ca 0.20 -1.48 -0.01 0.00 1.18 0.00 0.00 52.55 52.45 3irh s ASP 181 Cb -0.17 0.15 0.37 0.00 -0.34 0.00 0.00 42.92 42.93 3irh s ASP 181 CO -0.07 -0.73 1.77 0.00 0.68 0.00 0.00 175.17 176.81 3irh h ALA 182 N 1.42 1.13 0.08 2.11 0.00 -1.83 -1.42 119.26 120.75 3irh h ALA 182 Ca -0.43 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.23 3irh h ALA 182 Cb 1.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3irh h ALA 182 CO 0.74 0.56 -0.52 0.22 0.00 0.00 0.00 179.25 180.25 3irh h ASP 183 N 0.68 -1.56 -0.33 0.00 -0.00 -1.82 -0.55 116.42 112.84 3irh h ASP 183 Ca 0.13 0.17 -0.05 0.00 -0.00 0.00 0.00 57.03 57.28 3irh h ASP 183 Cb 0.46 0.59 -0.01 0.00 -0.00 0.00 0.00 39.33 40.37 3irh h ASP 183 CO 0.02 -0.54 0.01 0.03 -0.00 0.00 0.00 179.24 178.76 3irh h ARG 184 N -0.71 0.58 -0.96 0.28 3.08 -1.90 -2.47 114.38 112.28 3irh h ARG 184 Ca 0.01 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3irh h ARG 184 Cb 0.74 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3irh h ARG 184 CO -0.31 0.70 0.61 0.52 -1.07 0.00 0.00 179.97 180.42 3irh h MET 185 N 0.39 1.28 -0.29 0.04 2.86 -1.25 -1.43 114.93 116.53 3irh h MET 185 Ca 0.10 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3irh h MET 185 Cb 0.43 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3irh h MET 185 CO 0.02 0.87 0.00 0.22 1.06 0.00 0.00 176.91 179.08 3irh h ASP 186 N 1.31 0.50 0.66 1.22 1.82 -0.89 -2.55 116.42 118.49 3irh h ASP 186 Ca 0.35 -0.31 -0.19 0.00 -0.39 0.00 0.00 57.03 56.49 3irh h ASP 186 Cb -0.11 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 3irh h ASP 186 CO -0.07 0.69 -0.88 0.10 -1.61 0.00 0.00 179.24 177.47 3irh h TYR 187 N 0.31 0.21 0.06 0.28 -0.00 -1.27 0.33 116.97 116.90 3irh h TYR 187 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 58.73 58.71 3irh h TYR 187 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 36.73 37.11 3irh h TYR 187 CO 0.04 0.94 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.90 3irh h LEU 188 N 0.08 -0.48 -0.30 0.10 3.38 -1.32 0.44 115.31 117.21 3irh h LEU 188 Ca -0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3irh h LEU 188 Cb 1.51 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 3irh h LEU 188 CO 0.13 -0.24 0.14 -0.07 0.09 0.00 0.00 178.44 178.49 3irh h LEU 189 N -0.31 0.39 -0.07 1.67 3.38 -1.27 -1.83 115.31 117.27 3irh h LEU 189 Ca 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3irh h LEU 189 Cb 0.35 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3irh h LEU 189 CO -0.12 0.42 -0.05 -0.09 0.09 0.00 0.00 178.44 178.68 3irh h ARG 190 N 0.34 0.17 -0.88 1.13 2.43 -0.21 -1.13 114.38 116.23 3irh h ARG 190 Ca 0.10 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3irh h ARG 190 Cb 0.13 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3irh h ARG 190 CO -0.01 0.58 0.58 -0.44 -1.51 0.00 0.00 179.97 179.16 3irh h ASP 191 N -0.24 0.98 -0.72 -3.80 3.32 -0.18 -2.08 116.42 113.70 3irh h ASP 191 Ca 0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3irh h ASP 191 Cb 0.54 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3irh h ASP 191 CO 0.01 0.70 0.39 0.00 -1.72 0.00 0.00 179.24 178.62 3irh h ALA 192 N 1.34 0.92 -0.64 3.45 0.00 -1.26 -1.50 119.26 121.57 3irh h ALA 192 Ca 0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3irh h ALA 192 Cb -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3irh h ALA 192 CO -0.09 0.45 0.11 -0.92 0.00 0.00 0.00 179.25 178.80 3irh h TYR 193 N 1.00 1.12 0.09 0.00 3.20 -0.68 -2.01 116.97 119.69 3irh h TYR 193 Ca 0.25 -0.15 -0.31 0.00 3.14 0.00 0.00 58.73 61.67 3irh h TYR 193 Cb 0.05 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3irh h TYR 193 CO -0.00 0.95 -1.59 0.74 -1.64 0.00 0.00 178.16 176.62 3irh h PHE 194 N 0.97 0.36 -0.03 -3.82 -1.00 -1.38 -3.30 116.94 108.74 3irh h PHE 194 Ca 0.20 -0.26 -0.12 0.00 2.81 0.00 0.00 57.97 60.60 3irh h PHE 194 Cb 0.42 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3irh h PHE 194 CO 0.03 1.35 -0.51 1.79 -1.61 0.00 0.00 178.31 179.36 3irh h THR 195 N 0.05 1.37 0.00 -1.55 1.35 -1.34 -3.24 112.91 109.55 3irh h THR 195 Ca -0.26 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 3irh h THR 195 Cb 2.00 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 3irh h THR 195 CO 0.14 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 3irh n GLY 196 N -0.01 1.06 3.30 5.82 0.00 -0.76 -4.76 105.19 109.84 3irh n GLY 196 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3irh n GLY 196 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3irh n THR 197 N -2.00 4.50 -0.99 2.61 -1.04 -1.18 -4.83 114.28 111.36 3irh n THR 197 Ca 0.00 -5.07 -0.23 0.00 -2.04 0.00 0.00 64.05 56.71 3irh n THR 197 Cb 0.00 -2.46 0.12 0.00 -1.82 0.00 0.00 70.33 66.17 3irh n THR 197 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3irh n GLU 198 N 3.86 2.18 0.11 -2.82 2.13 -1.24 -3.97 120.64 120.88 3irh n GLU 198 Ca 0.31 -2.61 0.10 0.00 0.66 0.00 0.00 57.16 55.62 3irh n GLU 198 Cb 0.40 -2.02 0.59 0.00 0.27 0.00 0.00 31.44 30.67 3irh n GLU 198 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3irh h TYR 199 N 1.18 0.16 0.00 4.31 -1.99 -1.91 0.51 116.97 119.23 3irh h TYR 199 Ca 0.53 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.26 3irh h TYR 199 Cb 1.99 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.66 3irh h TYR 199 CO 1.31 0.09 0.00 0.41 -0.00 0.00 0.00 178.16 179.97 3irh n GLY 200 N -1.54 0.75 3.48 3.88 0.00 -1.25 -4.56 105.19 105.94 3irh n GLY 200 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3irh n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3irh s THR 201 N 0.56 4.33 0.37 2.61 -4.23 0.18 -4.39 115.64 115.07 3irh s THR 201 Ca 0.00 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 3irh s THR 201 Cb 0.00 -4.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.04 3irh s THR 201 CO 0.00 -1.59 0.53 0.72 -0.54 0.00 0.00 174.62 173.74 3irh s PHE 202 N 3.95 3.17 -0.40 3.99 -0.12 -1.26 -4.95 117.98 122.36 3irh s PHE 202 Ca 0.30 -0.06 -0.18 0.00 -0.05 0.00 0.00 56.93 56.94 3irh s PHE 202 Cb -0.10 -2.07 0.01 0.00 -0.63 0.00 0.00 43.02 40.23 3irh s PHE 202 CO 0.02 -0.10 0.52 0.34 -0.05 0.00 0.00 175.22 175.94 3irh s ASP 203 N -4.18 6.27 0.15 1.98 2.15 -1.26 -4.97 116.67 116.82 3irh s ASP 203 Ca 0.45 -0.35 -0.13 0.00 0.43 0.00 0.00 52.55 52.96 3irh s ASP 203 Cb -0.10 -2.26 0.03 0.00 -0.30 0.00 0.00 42.92 40.29 3irh s ASP 203 CO 0.33 -0.59 1.64 0.25 -0.17 0.00 0.00 175.17 176.63 3irh h LEU 204 N 9.23 0.79 -1.53 -1.34 5.85 -1.99 -2.66 115.31 123.65 3irh h LEU 204 Ca -0.27 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3irh h LEU 204 Cb 1.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3irh h LEU 204 CO 0.81 0.84 0.18 0.71 -0.34 0.00 0.00 178.44 180.63 3irh h THR 205 N 0.70 1.12 -0.47 1.05 1.35 -1.98 -0.64 112.91 114.05 3irh h THR 205 Ca 0.15 -0.34 -0.05 0.00 -0.55 0.00 0.00 66.41 65.63 3irh h THR 205 Cb 0.38 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.44 3irh h THR 205 CO 0.01 0.14 0.10 -0.09 -0.25 0.00 0.00 175.52 175.43 3irh h ARG 206 N 0.49 0.77 -0.78 4.72 1.12 -1.90 -2.29 114.38 116.50 3irh h ARG 206 Ca 0.13 -0.19 -0.04 0.00 -1.11 0.00 0.00 59.98 58.76 3irh h ARG 206 Cb 0.05 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 3irh h ARG 206 CO -0.02 0.76 0.32 0.82 -3.11 0.00 0.00 179.97 178.74 3irh h ILE 207 N 0.65 1.26 0.00 1.20 1.08 -1.27 -2.81 117.51 117.62 3irh h ILE 207 Ca 0.15 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 3irh h ILE 207 Cb 0.35 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 3irh h ILE 207 CO 0.00 0.33 0.00 -0.07 -0.69 0.00 0.00 178.15 177.72 3irh h LEU 208 N 1.13 0.00 0.00 1.44 3.38 -0.84 -1.70 115.31 118.72 3irh h LEU 208 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3irh h LEU 208 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3irh h LEU 208 CO -0.02 0.00 -0.51 -1.14 0.09 0.00 0.00 178.44 176.85 3irh n ARG 209 N -2.66 0.16 -0.00 1.13 0.63 -0.89 -4.27 116.66 110.76 3irh n ARG 209 Ca 0.00 0.05 0.02 0.00 -0.92 0.00 0.00 57.85 57.01 3irh n ARG 209 Cb 0.21 -1.61 -0.03 0.00 0.45 0.00 0.00 32.46 31.48 3irh n ARG 209 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3irh n VAL 210 N -1.85 0.00 -1.91 5.15 0.24 -0.87 -4.98 118.33 114.11 3irh n VAL 210 Ca 0.04 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.34 61.76 3irh n VAL 210 Cb 0.39 0.56 -0.01 0.00 -1.47 0.00 0.00 33.84 33.31 3irh n VAL 210 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 3irh s ILE 211 N -2.04 2.34 0.12 1.34 2.07 -0.70 -0.49 121.20 123.84 3irh s ILE 211 Ca -0.01 0.32 -0.10 0.00 -1.41 0.00 0.00 60.65 59.45 3irh s ILE 211 Cb 0.03 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.42 3irh s ILE 211 CO 0.17 0.06 0.25 0.00 -1.91 0.00 0.00 174.94 173.51 3irh s ARG 212 N -1.26 0.98 0.58 3.50 1.70 0.68 -4.89 118.95 120.23 3irh s ARG 212 Ca 0.56 -0.98 -0.04 0.00 -0.47 0.00 0.00 55.73 54.79 3irh s ARG 212 Cb -0.44 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.33 3irh s ARG 212 CO 0.53 -0.34 0.87 -1.25 -1.08 0.00 0.00 175.30 174.03 3irh s PRO 213 N -3.88 2.82 0.27 3.89 0.04 -1.26 -0.67 135.00 136.21 3irh s PRO 213 Ca 0.08 -0.17 -0.19 0.00 0.04 0.00 0.00 61.00 60.76 3irh s PRO 213 Cb 0.04 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.27 3irh s PRO 213 CO -0.08 -0.71 0.66 1.52 0.04 0.00 0.00 177.00 178.44 3irh s TYR 214 N -2.94 -0.06 0.59 0.56 -0.85 -0.16 -4.78 117.35 109.71 3irh s TYR 214 Ca 0.54 -0.38 0.28 0.00 -0.52 0.00 0.00 57.07 56.99 3irh s TYR 214 Cb -0.10 0.59 1.62 0.00 0.38 0.00 0.00 41.96 44.44 3irh s TYR 214 CO 0.43 -1.19 2.07 1.57 -1.52 0.00 0.00 175.55 176.91 3irh h LYS 215 N 2.06 0.00 -0.02 -3.49 2.10 -1.74 -1.01 116.57 114.46 3irh h LYS 215 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3irh h LYS 215 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3irh h LYS 215 CO 0.26 0.00 -0.01 0.41 -2.00 0.00 0.00 179.45 178.11 3irh n GLY 216 N -1.43 0.60 0.00 0.07 0.00 -1.26 -4.81 105.19 98.36 3irh n GLY 216 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3irh n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3irh n GLY 217 N 1.28 0.58 3.27 -0.02 0.00 -0.38 -4.75 105.19 105.16 3irh n GLY 217 Ca 0.16 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 3irh n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irh s ILE 218 N 0.00 2.27 0.38 -0.61 -1.09 -1.26 -0.98 121.20 119.90 3irh s ILE 218 Ca 0.00 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 3irh s ILE 218 Cb 0.00 -1.87 -0.03 0.00 -1.58 0.00 0.00 42.46 38.98 3irh s ILE 218 CO 0.00 0.56 0.19 0.00 -1.23 0.00 0.00 174.94 174.46 3irh s ALA 219 N 0.19 2.48 -0.04 9.38 0.00 0.16 -4.63 121.76 129.30 3irh s ALA 219 Ca -0.13 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.28 3irh s ALA 219 Cb -0.16 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.05 3irh s ALA 219 CO 0.07 -0.48 -0.04 -0.06 0.00 0.00 0.00 175.76 175.25 3irh s PHE 220 N -3.32 0.69 0.43 0.00 0.40 -0.60 -0.23 117.98 115.34 3irh s PHE 220 Ca 0.31 -0.17 -0.25 0.00 -0.60 0.00 0.00 56.93 56.22 3irh s PHE 220 Cb 0.02 -0.60 -0.10 0.00 0.51 0.00 0.00 43.02 42.85 3irh s PHE 220 CO 0.20 -0.16 1.11 0.00 0.70 0.00 0.00 175.22 177.07 3irh n ALA 221 N 3.90 0.60 0.09 5.36 0.00 0.35 -0.23 120.51 130.57 3irh n ALA 221 Ca -0.24 0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.47 3irh n ALA 221 Cb 0.52 -2.15 0.43 0.00 0.00 0.00 0.00 19.45 18.24 3irh n ALA 221 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3irh h MET 222 N 1.70 0.34 0.00 0.00 4.05 -1.49 -1.82 114.93 117.71 3irh h MET 222 Ca -0.46 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3irh h MET 222 Cb 1.32 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3irh h MET 222 CO 0.58 0.33 -0.00 -2.95 0.23 0.00 0.00 176.91 175.09 3irh h ASN 223 N 0.34 0.00 -0.77 1.39 7.08 -1.89 -2.05 115.58 119.67 3irh h ASN 223 Ca 0.08 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 52.98 3irh h ASN 223 Cb 0.15 0.00 -0.19 0.00 -2.08 0.00 0.00 38.32 36.20 3irh h ASN 223 CO -0.00 0.00 0.36 0.61 -2.08 0.00 0.00 177.43 176.32 3irh n GLY 224 N -0.67 4.20 0.36 9.14 0.00 -0.69 -4.60 105.19 112.93 3irh n GLY 224 Ca -0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 3irh n GLY 224 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3irh h MET 225 N 1.73 1.24 0.00 1.61 4.05 -1.45 -2.33 114.93 119.78 3irh h MET 225 Ca 0.40 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.67 3irh h MET 225 Cb 2.42 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 32.93 3irh h MET 225 CO 0.81 0.82 -0.35 0.45 0.23 0.00 0.00 176.91 178.87 3irh h HIS 226 N 1.27 0.00 -0.47 1.39 3.86 -1.85 -0.75 115.15 118.61 3irh h HIS 226 Ca 0.37 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.50 3irh h HIS 226 Cb -0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3irh h HIS 226 CO -0.00 0.35 -0.04 0.00 0.86 0.00 0.00 177.93 179.10 3irh h ALA 227 N 1.65 1.05 -0.34 2.45 0.00 -1.77 -1.51 119.26 120.79 3irh h ALA 227 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3irh h ALA 227 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3irh h ALA 227 CO 0.05 0.59 -0.17 0.28 0.00 0.00 0.00 179.25 179.99 3irh h VAL 228 N 0.74 1.29 -0.44 0.00 2.07 -0.98 -2.64 116.25 116.29 3irh h VAL 228 Ca 0.14 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.43 3irh h VAL 228 Cb 0.50 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3irh h VAL 228 CO 0.03 0.42 0.11 -0.33 0.02 0.00 0.00 177.57 177.82 3irh h GLU 229 N 0.50 0.25 -0.87 1.57 5.08 -0.98 -1.80 114.58 118.34 3irh h GLU 229 Ca 0.08 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3irh h GLU 229 Cb 0.71 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 3irh h GLU 229 CO 0.05 0.17 0.56 -0.44 -1.00 0.00 0.00 179.01 178.35 3irh h ASP 230 N 0.26 0.84 -0.27 1.42 3.32 -1.16 -0.32 116.42 120.51 3irh h ASP 230 Ca 0.21 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3irh h ASP 230 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3irh h ASP 230 CO -0.26 0.54 -0.05 0.22 -1.72 0.00 0.00 179.24 177.97 3irh h TYR 231 N 0.95 0.56 -1.00 4.55 3.20 -1.04 -1.57 116.97 122.62 3irh h TYR 231 Ca 0.38 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 62.15 3irh h TYR 231 Cb 0.24 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 3irh h TYR 231 CO -0.00 0.70 0.66 0.82 -1.64 0.00 0.00 178.16 178.70 3irh h ILE 232 N 0.26 1.24 -0.18 1.81 1.08 -0.69 -1.00 117.51 120.03 3irh h ILE 232 Ca 0.07 -0.46 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 3irh h ILE 232 Cb 0.51 -0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 3irh h ILE 232 CO 0.02 0.25 -0.06 0.58 -0.69 0.00 0.00 178.15 178.25 3irh h VAL 233 N 1.34 1.30 -0.92 1.67 2.07 -1.01 -1.90 116.25 118.80 3irh h VAL 233 Ca 0.37 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3irh h VAL 233 Cb -0.13 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3irh h VAL 233 CO -0.09 0.32 0.61 0.28 0.02 0.00 0.00 177.57 178.71 3irh h SER 234 N 0.07 1.04 -0.41 0.57 0.02 -1.02 -0.29 113.55 113.52 3irh h SER 234 Ca 0.04 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3irh h SER 234 Cb 0.52 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3irh h SER 234 CO 0.02 0.75 0.06 -0.09 -1.14 0.00 0.00 176.83 176.43 3irh h ARG 235 N 1.23 0.69 -0.21 3.45 2.43 -1.10 -0.45 114.38 120.40 3irh h ARG 235 Ca 0.34 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3irh h ARG 235 Cb -0.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 3irh h ARG 235 CO -0.08 0.73 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.12 3irh h TYR 236 N 0.54 -0.14 -0.91 2.20 3.20 -0.95 -0.96 116.97 119.95 3irh h TYR 236 Ca 0.13 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3irh h TYR 236 Cb 0.38 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3irh h TYR 236 CO 0.03 -0.11 0.55 1.96 -1.64 0.00 0.00 178.16 178.95 3irh h GLN 237 N -0.02 1.23 -0.50 1.82 4.20 -0.82 -1.46 115.11 119.57 3irh h GLN 237 Ca 0.11 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3irh h GLN 237 Cb 0.18 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3irh h GLN 237 CO -0.23 0.86 -0.04 0.52 -0.67 0.00 0.00 178.83 179.27 3irh h MET 238 N 1.25 0.90 -0.17 1.46 2.86 -0.77 -0.86 114.93 119.60 3irh h MET 238 Ca 0.33 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3irh h MET 238 Cb -0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3irh h MET 238 CO -0.06 0.95 0.07 1.88 1.06 0.00 0.00 176.91 180.82 3irh h TYR 239 N 0.76 0.26 -0.17 -0.22 -1.99 -1.00 -0.90 116.97 113.72 3irh h TYR 239 Ca 0.14 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 3irh h TYR 239 Cb 0.57 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 3irh h TYR 239 CO 0.04 0.32 0.07 0.28 -0.00 0.00 0.00 178.16 178.87 3irh h VAL 240 N 0.13 1.16 0.00 -2.88 2.07 -1.24 -0.52 116.25 114.98 3irh h VAL 240 Ca 0.06 -0.48 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 3irh h VAL 240 Cb 0.16 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3irh h VAL 240 CO -0.01 0.15 -1.61 0.00 0.02 0.00 0.00 177.57 176.13 3irh n GLN 241 N -4.85 0.63 0.01 1.57 6.02 -0.33 -4.44 117.38 115.99 3irh n GLN 241 Ca -0.04 0.19 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 3irh n GLN 241 Cb 0.12 -1.76 -0.00 0.00 1.02 0.00 0.00 30.24 29.62 3irh n GLN 241 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3irh n VAL 242 N -2.87 0.91 0.09 5.09 0.31 -0.43 -4.58 118.33 116.86 3irh n VAL 242 Ca -0.13 0.28 -0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3irh n VAL 242 Cb 0.90 -1.56 0.29 0.00 -0.91 0.00 0.00 33.84 32.56 3irh n VAL 242 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3irh h TYR 243 N -0.15 0.30 -0.32 3.52 0.99 -1.29 -2.43 116.97 117.60 3irh h TYR 243 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 3irh h TYR 243 Cb 0.15 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 37.80 3irh h TYR 243 CO -0.06 0.52 0.00 1.19 -0.00 0.00 0.00 178.16 179.81 3irh n PHE 244 N -4.14 0.42 -1.66 4.88 3.72 -0.21 -4.48 117.46 115.98 3irh n PHE 244 Ca -0.01 -0.21 -0.47 0.00 -0.05 0.00 0.00 57.45 56.71 3irh n PHE 244 Cb 0.38 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 3irh n PHE 244 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3irh n HIS 245 N 0.79 2.21 0.08 1.38 -0.00 -0.92 -4.89 115.22 113.88 3irh n HIS 245 Ca 0.17 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.62 3irh n HIS 245 Cb 0.42 -2.54 0.31 0.00 -0.12 0.00 0.00 29.99 28.06 3irh n HIS 245 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3irh h PRO 246 N 6.23 0.31 -0.14 1.57 0.11 -1.93 -2.67 132.00 135.48 3irh h PRO 246 Ca -0.46 -0.09 -0.14 0.00 0.11 0.00 0.00 66.00 65.42 3irh h PRO 246 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3irh h PRO 246 CO 0.89 0.50 -0.45 0.28 -0.21 0.00 0.00 178.00 179.01 3irh h VAL 247 N 0.29 1.35 -0.36 3.15 2.07 -1.92 0.62 116.25 121.44 3irh h VAL 247 Ca 0.05 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 65.92 3irh h VAL 247 Cb 0.52 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 3irh h VAL 247 CO 0.03 0.52 -0.12 0.28 0.02 0.00 0.00 177.57 178.31 3irh h SER 248 N 0.18 -0.42 -0.30 0.57 0.02 -1.84 -2.23 113.55 109.53 3irh h SER 248 Ca -0.02 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3irh h SER 248 Cb 1.07 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 3irh h SER 248 CO 0.09 -0.15 -0.04 0.03 -1.14 0.00 0.00 176.83 175.62 3irh h ARG 249 N -0.04 0.67 -1.00 3.45 3.08 -1.28 -1.61 114.38 117.63 3irh h ARG 249 Ca 0.18 -0.18 0.15 0.00 0.07 0.00 0.00 59.98 60.20 3irh h ARG 249 Cb 0.31 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 3irh h ARG 249 CO -0.39 0.71 0.62 0.78 -1.07 0.00 0.00 179.97 180.62 3irh h GLY 250 N 0.94 1.71 1.46 0.04 0.00 -0.54 0.72 103.07 107.39 3irh h GLY 250 Ca 0.12 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 3irh h GLY 250 CO 0.02 0.06 -0.67 -0.33 0.00 0.00 0.00 176.54 175.63 3irh h MET 251 N 0.90 0.55 -0.29 4.80 2.86 -0.80 -3.12 114.93 119.83 3irh h MET 251 Ca 0.53 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3irh h MET 251 Cb 0.67 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3irh h MET 251 CO -0.32 1.03 -0.13 1.49 1.06 0.00 0.00 176.91 180.04 3irh h GLU 252 N 0.39 0.50 -0.32 1.72 4.81 -0.66 -2.13 114.58 118.89 3irh h GLU 252 Ca -0.02 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 3irh h GLU 252 Cb 1.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3irh h GLU 252 CO 0.12 0.62 -0.11 0.28 -0.73 0.00 0.00 179.01 179.19 3irh h VAL 253 N 0.46 1.28 -0.43 0.32 2.07 -0.89 -1.49 116.25 117.57 3irh h VAL 253 Ca 0.08 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.48 3irh h VAL 253 Cb 0.50 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3irh h VAL 253 CO 0.03 0.39 0.12 0.40 0.02 0.00 0.00 177.57 178.53 3irh h ILE 254 N 0.42 0.81 -0.72 4.57 2.04 -1.46 -1.11 117.51 122.06 3irh h ILE 254 Ca 0.08 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3irh h ILE 254 Cb 0.62 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3irh h ILE 254 CO 0.04 0.05 0.32 0.25 0.00 0.00 0.00 178.15 178.80 3irh h LEU 255 N 0.27 0.98 0.02 1.44 5.85 -1.25 0.27 115.31 122.88 3irh h LEU 255 Ca 0.21 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3irh h LEU 255 Cb 0.23 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3irh h LEU 255 CO -0.24 0.86 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.93 3irh h ASP 256 N 1.03 -0.02 0.32 1.25 3.58 -0.91 -1.70 116.42 119.96 3irh h ASP 256 Ca 0.24 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 3irh h ASP 256 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3irh h ASP 256 CO -0.02 0.07 -0.33 0.45 -2.88 0.00 0.00 179.24 176.52 3irh h HIS 257 N -0.11 0.03 -0.10 0.28 3.86 -1.05 -2.31 115.15 115.75 3irh h HIS 257 Ca -0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3irh h HIS 257 Cb 0.10 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 3irh h HIS 257 CO -0.05 0.36 -0.06 1.25 0.86 0.00 0.00 177.93 180.29 3irh h LEU 258 N 0.02 0.24 -0.88 2.43 5.85 -0.64 -0.47 115.31 121.85 3irh h LEU 258 Ca 0.00 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 3irh h LEU 258 Cb 0.60 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3irh h LEU 258 CO 0.04 0.62 0.07 -0.07 -0.34 0.00 0.00 178.44 178.77 3irh h LEU 259 N -0.14 0.86 -0.19 2.25 3.38 -1.31 -1.92 115.31 118.23 3irh h LEU 259 Ca 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3irh h LEU 259 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3irh h LEU 259 CO 0.02 0.88 0.02 -0.74 0.09 0.00 0.00 178.44 178.70 3irh h HIS 260 N 0.85 0.35 -0.95 1.13 2.76 -1.36 -1.61 115.15 116.31 3irh h HIS 260 Ca 0.17 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3irh h HIS 260 Cb 0.40 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 3irh h HIS 260 CO 0.02 0.50 0.63 -0.09 -1.30 0.00 0.00 177.93 177.69 3irh h ARG 261 N 0.10 1.22 -0.58 5.26 9.65 -1.00 -0.59 114.38 128.43 3irh h ARG 261 Ca 0.06 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3irh h ARG 261 Cb 0.34 -0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3irh h ARG 261 CO 0.01 0.81 0.27 0.00 2.80 0.00 0.00 179.97 183.86 3irh h ALA 262 N 1.37 0.75 -0.39 2.80 0.00 -1.17 -0.90 119.26 121.71 3irh h ALA 262 Ca 0.36 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3irh h ALA 262 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3irh h ALA 262 CO -0.10 0.31 -0.00 -0.22 0.00 0.00 0.00 179.25 179.25 3irh h LYS 263 N 0.79 0.69 -0.61 0.00 3.64 -0.98 -0.93 116.57 119.17 3irh h LYS 263 Ca 0.20 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3irh h LYS 263 Cb 0.13 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3irh h LYS 263 CO -0.02 0.78 0.40 0.93 -2.27 0.00 0.00 179.45 179.27 3irh h GLU 264 N 0.51 0.77 -0.48 1.90 5.08 -0.97 0.43 114.58 121.82 3irh h GLU 264 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3irh h GLU 264 Cb 0.47 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3irh h GLU 264 CO 0.02 0.51 0.24 -0.07 -1.00 0.00 0.00 179.01 178.71 3irh h LEU 265 N 0.80 0.62 0.88 1.33 3.38 -0.97 -2.42 115.31 118.93 3irh h LEU 265 Ca 0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3irh h LEU 265 Cb -0.05 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.55 3irh h LEU 265 CO -0.07 0.56 -0.42 0.15 0.09 0.00 0.00 178.44 178.75 3irh h PHE 266 N 0.63 -1.10 -1.00 1.13 3.57 -0.68 -3.19 116.94 116.31 3irh h PHE 266 Ca 0.17 -0.03 0.23 0.00 3.53 0.00 0.00 57.97 61.87 3irh h PHE 266 Cb 0.10 0.36 -0.09 0.00 2.79 0.00 0.00 35.95 39.11 3irh h PHE 266 CO -0.01 -0.68 0.63 0.93 -2.23 0.00 0.00 178.31 176.95 3irh h GLU 267 N -1.24 0.50 -6.32 1.11 5.08 -0.94 -3.40 114.58 109.37 3irh h GLU 267 Ca -0.12 -0.03 -0.55 0.00 -1.00 0.00 0.00 59.36 57.66 3irh h GLU 267 Cb 0.91 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3irh h GLU 267 CO 0.20 0.33 0.91 1.21 -1.00 0.00 0.00 179.01 180.66 3irh s ASN 268 N -5.38 6.80 0.28 1.42 3.84 -0.91 -4.94 114.94 116.05 3irh s ASN 268 Ca -0.09 2.10 0.26 0.00 0.21 0.00 0.00 52.86 55.34 3irh s ASN 268 Cb 0.25 -2.55 0.78 0.00 -0.55 0.00 0.00 41.25 39.18 3irh s ASN 268 CO 0.80 -0.79 1.75 1.55 -2.79 0.00 0.00 177.10 177.62 3irh h PRO 269 N 8.32 0.00 -0.00 0.43 0.13 -1.86 -3.13 132.00 135.90 3irh h PRO 269 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3irh h PRO 269 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3irh h PRO 269 CO 0.93 0.00 -0.16 -0.85 -0.23 0.00 0.00 178.00 177.69 3irh n GLU 270 N -2.45 0.53 -2.99 0.86 0.28 -1.26 -4.57 120.64 111.03 3irh n GLU 270 Ca 0.04 -0.19 -0.44 0.00 -0.16 0.00 0.00 57.16 56.41 3irh n GLU 270 Cb 0.41 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.76 3irh n GLU 270 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3irh s PHE 271 N -2.61 3.23 -1.19 -1.84 5.36 -1.18 -4.96 117.98 114.79 3irh s PHE 271 Ca 0.24 -1.50 -0.10 0.00 -0.96 0.00 0.00 56.93 54.61 3irh s PHE 271 Cb 0.20 -4.21 0.21 0.00 -0.34 0.00 0.00 43.02 38.88 3irh s PHE 271 CO 0.51 -1.41 1.50 -0.25 -1.46 0.00 0.00 175.22 174.11 3irh n ASP 272 N 6.11 5.44 -3.71 6.13 8.00 -1.26 -4.93 116.55 132.33 3irh n ASP 272 Ca 0.23 -3.09 -0.12 0.00 0.71 0.00 0.00 54.79 52.51 3irh n ASP 272 Cb 0.49 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.02 3irh n ASP 272 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3irh s TYR 273 N -0.01 -0.55 -0.38 1.24 5.04 -1.26 -5.13 117.35 116.30 3irh s TYR 273 Ca 0.38 1.24 -0.29 0.00 -2.44 0.00 0.00 57.07 55.96 3irh s TYR 273 Cb 0.00 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.54 3irh s TYR 273 CO 0.00 -0.29 1.38 0.34 -1.34 0.00 0.00 175.55 175.65 3irh s ASP 274 N 0.77 6.43 0.07 4.32 3.68 -1.26 -4.89 116.67 125.79 3irh s ASP 274 Ca -0.04 0.92 0.22 0.00 2.13 0.00 0.00 52.55 55.78 3irh s ASP 274 Cb -0.05 -2.54 0.91 0.00 -1.45 0.00 0.00 42.92 39.79 3irh s ASP 274 CO -0.06 -1.34 1.70 0.18 0.13 0.00 0.00 175.17 175.79 3irh n LEU 275 N 8.49 0.23 -2.57 -1.34 4.77 -1.26 -4.90 117.00 120.42 3irh n LEU 275 Ca 0.16 0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 56.51 3irh n LEU 275 Cb 0.48 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3irh n LEU 275 CO 0.69 -0.21 -0.17 0.00 -1.33 0.00 0.00 177.39 176.37 3irh n GLN 276 N -1.73 -2.43 -2.47 3.23 6.02 -1.26 -4.87 117.38 113.88 3irh n GLN 276 Ca 0.05 0.76 -0.32 0.00 -0.01 0.00 0.00 57.00 57.48 3irh n GLN 276 Cb 0.27 -5.42 0.00 0.00 1.02 0.00 0.00 30.24 26.12 3irh n GLN 276 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3irh n ALA 277 N -2.40 5.44 -0.25 -1.58 0.00 -1.26 -4.91 120.51 115.54 3irh n ALA 277 Ca -0.17 -4.39 0.01 0.00 0.00 0.00 0.00 53.44 48.89 3irh n ALA 277 Cb 0.63 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 19.06 3irh n ALA 277 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3irh h SER 278 N 2.94 -0.70 0.94 0.00 0.87 -2.01 -0.42 113.55 115.16 3irh h SER 278 Ca 0.35 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 61.12 3irh h SER 278 Cb 0.56 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3irh h SER 278 CO 1.02 -0.24 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.97 3irh h LEU 279 N -0.01 0.00 0.00 2.23 3.38 -1.98 -2.85 115.31 116.08 3irh h LEU 279 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3irh h LEU 279 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3irh h LEU 279 CO -0.75 0.03 -0.65 -0.07 0.09 0.00 0.00 178.44 177.09 3irh h LEU 280 N 0.00 0.00 -0.53 1.67 3.38 -1.49 -3.40 115.31 114.94 3irh h LEU 280 Ca -0.00 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3irh h LEU 280 Cb 0.51 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 3irh h LEU 280 CO 0.00 0.04 -0.06 0.58 0.09 0.00 0.00 178.44 179.10 3irh h VAL 281 N 0.00 0.53 -0.00 1.22 2.07 -1.27 0.87 116.25 119.65 3irh h VAL 281 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3irh h VAL 281 Cb 0.88 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3irh h VAL 281 CO 0.00 0.01 0.01 -0.65 0.02 0.00 0.00 177.57 176.96 3irh h PRO 282 N 0.06 0.00 0.00 1.57 0.11 -1.79 -0.89 132.00 131.07 3irh h PRO 282 Ca 0.27 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.09 3irh h PRO 282 Cb 0.41 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 3irh h PRO 282 CO -0.49 0.00 -1.79 1.19 -0.21 0.00 0.00 178.00 176.70 3irh n PHE 283 N -3.47 0.82 -0.15 0.65 3.72 0.12 -0.33 117.46 118.82 3irh n PHE 283 Ca -0.03 0.29 -0.09 0.00 -0.05 0.00 0.00 57.45 57.58 3irh n PHE 283 Cb 0.09 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.49 3irh n PHE 283 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3irh h PHE 284 N 0.00 0.65 0.00 1.38 0.05 -0.47 -2.91 116.94 115.64 3irh h PHE 284 Ca -0.31 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.44 3irh h PHE 284 Cb 1.99 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 39.74 3irh h PHE 284 CO 0.00 0.55 0.00 0.87 -0.18 0.00 0.00 178.31 179.55 3irh h LYS 285 N 0.57 0.00 -4.61 1.51 1.57 -1.27 -3.46 116.57 110.88 3irh h LYS 285 Ca 0.15 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.65 3irh h LYS 285 Cb 0.16 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.58 3irh h LYS 285 CO -0.02 0.00 -0.52 0.41 -0.57 0.00 0.00 179.45 178.75 3irh n GLY 286 N -0.02 -0.15 3.11 3.86 0.00 -1.04 -5.02 105.19 105.93 3irh n GLY 286 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3irh n GLY 286 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3irh s ASP 287 N -3.48 -1.20 0.14 1.61 2.15 0.55 -5.03 116.67 111.42 3irh s ASP 287 Ca 0.29 -0.17 0.05 0.00 0.43 0.00 0.00 52.55 53.16 3irh s ASP 287 Cb -0.13 1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 44.27 3irh s ASP 287 CO 0.54 -0.28 -0.11 0.72 -0.17 0.00 0.00 175.17 175.86 3irh s PHE 288 N 2.53 1.33 0.43 -5.34 -0.12 -1.25 -4.66 117.98 110.89 3irh s PHE 288 Ca 0.11 -0.68 0.08 0.00 -0.05 0.00 0.00 56.93 56.39 3irh s PHE 288 Cb -0.09 -0.67 0.01 0.00 -0.63 0.00 0.00 43.02 41.63 3irh s PHE 288 CO -0.22 0.12 0.54 0.95 -0.05 0.00 0.00 175.22 176.56 3irh s THR 289 N -2.93 2.89 0.13 -4.49 -4.23 -1.26 -5.02 115.64 100.73 3irh s THR 289 Ca 0.15 -1.07 -0.15 0.00 -1.18 0.00 0.00 61.69 59.44 3irh s THR 289 Cb -0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3irh s THR 289 CO 0.02 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 175.98 3irh h LEU 290 N 0.70 0.67 -0.59 4.79 5.85 -2.01 -1.85 115.31 122.87 3irh h LEU 290 Ca -0.40 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.17 3irh h LEU 290 Cb 1.28 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 3irh h LEU 290 CO 0.47 0.74 0.19 1.56 -0.34 0.00 0.00 178.44 181.06 3irh h GLN 291 N 0.57 0.35 -0.72 1.25 1.08 -1.98 0.78 115.11 116.43 3irh h GLN 291 Ca 0.14 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 3irh h GLN 291 Cb 0.33 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 3irh h GLN 291 CO 0.00 0.23 0.25 0.93 -0.95 0.00 0.00 178.83 179.29 3irh h GLU 292 N 0.36 1.11 -0.48 1.46 5.08 -1.94 -2.48 114.58 117.69 3irh h GLU 292 Ca 0.30 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3irh h GLU 292 Cb 0.38 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3irh h GLU 292 CO -0.32 0.94 0.13 -0.92 -1.00 0.00 0.00 179.01 177.85 3irh h TYR 293 N 1.06 0.73 0.00 4.33 3.20 -0.42 -2.79 116.97 123.09 3irh h TYR 293 Ca 0.24 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3irh h TYR 293 Cb 0.27 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3irh h TYR 293 CO 0.02 0.61 0.00 -0.07 -1.64 0.00 0.00 178.16 177.08 3irh h LEU 294 N 0.70 0.00 -0.15 2.82 3.38 -0.44 -2.88 115.31 118.74 3irh h LEU 294 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3irh h LEU 294 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3irh h LEU 294 CO -0.01 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.63 3irh h LYS 295 N 0.00 0.00 -6.74 1.13 1.57 -1.19 -3.46 116.57 107.88 3irh h LYS 295 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3irh h LYS 295 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3irh h LYS 295 CO 0.00 0.00 0.32 -0.51 -0.57 0.00 0.00 179.45 178.69 3irh s LEU 296 N -4.98 4.58 0.38 2.94 1.43 -1.09 -4.99 118.68 116.95 3irh s LEU 296 Ca 0.09 1.87 -0.09 0.00 -1.03 0.00 0.00 54.13 54.97 3irh s LEU 296 Cb 0.10 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.71 3irh s LEU 296 CO 0.59 0.12 0.66 1.51 0.23 0.00 0.00 176.35 179.46 3irh s ASP 297 N -1.27 0.52 0.20 2.29 3.84 -1.26 -4.66 116.67 116.33 3irh s ASP 297 Ca 0.42 -1.37 -0.10 0.00 -0.00 0.00 0.00 52.55 51.50 3irh s ASP 297 Cb -0.24 0.78 0.19 0.00 -1.38 0.00 0.00 42.92 42.28 3irh s ASP 297 CO 0.29 -1.55 1.82 0.44 -0.00 0.00 0.00 175.17 176.17 3irh h ASP 298 N 2.03 0.58 0.35 2.11 3.45 -1.83 -2.44 116.42 120.67 3irh h ASP 298 Ca -0.31 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.13 3irh h ASP 298 Cb 1.24 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.91 3irh h ASP 298 CO 0.41 0.39 -0.16 1.23 -1.57 0.00 0.00 179.24 179.53 3irh h GLY 299 N 0.71 0.00 0.88 2.75 0.00 -1.98 -2.53 103.07 102.90 3irh h GLY 299 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3irh h GLY 299 CO -0.14 0.00 0.04 -2.08 0.00 0.00 0.00 176.54 174.36 3irh h VAL 300 N 0.00 1.24 -0.03 4.60 2.07 -1.82 -1.61 116.25 120.70 3irh h VAL 300 Ca -0.00 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3irh h VAL 300 Cb 0.38 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3irh h VAL 300 CO 0.02 0.27 0.02 -0.07 0.02 0.00 0.00 177.57 177.83 3irh h LEU 301 N 0.31 0.04 -1.27 2.57 3.38 -1.45 -2.41 115.31 116.48 3irh h LEU 301 Ca 0.09 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3irh h LEU 301 Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3irh h LEU 301 CO 0.01 0.12 -0.22 0.77 0.09 0.00 0.00 178.44 179.21 3irh h SER 302 N -0.05 0.21 -0.62 -0.43 4.64 -1.46 0.32 113.55 116.17 3irh h SER 302 Ca 0.01 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3irh h SER 302 Cb 0.10 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3irh h SER 302 CO -0.00 0.45 0.31 0.74 -0.87 0.00 0.00 176.83 177.45 3irh h THR 303 N 0.20 1.21 -0.34 2.95 2.02 -1.16 -1.74 112.91 116.07 3irh h THR 303 Ca 0.04 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.51 3irh h THR 303 Cb 0.51 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3irh h THR 303 CO 0.03 0.24 -0.23 1.88 0.37 0.00 0.00 175.52 177.81 3irh h TYR 304 N 0.85 0.88 -0.74 3.16 0.99 -0.80 -2.63 116.97 118.68 3irh h TYR 304 Ca 0.21 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 3irh h TYR 304 Cb 0.11 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 37.61 3irh h TYR 304 CO -0.00 0.99 0.42 0.74 -0.00 0.00 0.00 178.16 180.31 3irh h PHE 305 N 0.53 1.00 -0.56 4.88 0.05 -0.91 -1.46 116.94 120.46 3irh h PHE 305 Ca 0.07 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.87 3irh h PHE 305 Cb 0.79 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 38.38 3irh h PHE 305 CO 0.06 0.68 0.35 1.15 -0.18 0.00 0.00 178.31 180.38 3irh h THR 306 N 1.03 1.07 0.00 -1.55 2.02 -1.09 -1.99 112.91 112.41 3irh h THR 306 Ca 0.26 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3irh h THR 306 Cb 0.00 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3irh h THR 306 CO -0.05 0.13 0.00 1.56 0.37 0.00 0.00 175.52 177.53 3irh h GLN 307 N 0.69 0.00 0.00 6.66 1.08 -1.02 -3.12 115.11 119.40 3irh h GLN 307 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3irh h GLN 307 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3irh h GLN 307 CO -0.09 0.00 -0.34 -1.49 -0.95 0.00 0.00 178.83 175.96 3irh h TRP 308 N 0.00 0.00 0.00 2.96 6.55 -0.52 -3.26 115.95 121.67 3irh h TRP 308 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3irh h TRP 308 Cb 0.49 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.79 3irh h TRP 308 CO 0.00 0.00 0.00 0.52 -1.05 0.00 0.00 178.44 177.91 3irh h MET 309 N 0.00 0.00 -0.30 0.49 2.86 -1.44 -1.41 114.93 115.12 3irh h MET 309 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3irh h MET 309 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3irh h MET 309 CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 3irh n ASP 310 N -2.42 3.02 -4.73 1.22 8.00 -1.23 -4.87 116.55 115.54 3irh n ASP 310 Ca -0.01 -1.88 -0.41 0.00 0.71 0.00 0.00 54.79 53.20 3irh n ASP 310 Cb 0.07 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 40.94 3irh n ASP 310 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3irh s VAL 311 N -1.24 4.11 0.24 2.53 1.01 -0.53 -4.94 120.40 121.58 3irh s VAL 311 Ca 0.30 1.71 0.14 0.00 0.00 0.00 0.00 61.98 64.13 3irh s VAL 311 Cb 0.17 -4.09 0.14 0.00 0.00 0.00 0.00 36.38 32.60 3irh s VAL 311 CO 0.24 0.25 1.35 -0.65 0.00 0.00 0.00 175.10 176.28 3irh h PRO 312 N 5.65 0.00 -6.28 2.72 0.11 -1.94 -3.41 132.00 128.84 3irh h PRO 312 Ca -0.43 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 3irh h PRO 312 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3irh h PRO 312 CO 0.74 0.00 0.57 0.34 -0.21 0.00 0.00 178.00 179.44 3irh s ASP 313 N -3.50 7.24 0.17 -2.05 2.15 -1.26 -4.95 116.67 114.47 3irh s ASP 313 Ca -0.02 1.57 -0.12 0.00 0.43 0.00 0.00 52.55 54.42 3irh s ASP 313 Cb 0.04 -2.56 0.08 0.00 -0.30 0.00 0.00 42.92 40.18 3irh s ASP 313 CO 0.13 -0.45 1.73 -1.28 -0.17 0.00 0.00 175.17 175.13 3irh h SER 314 N 7.11 0.84 0.24 -0.34 0.87 -2.00 -2.08 113.55 118.20 3irh h SER 314 Ca -0.32 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 3irh h SER 314 Cb 1.15 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 3irh h SER 314 CO 0.85 0.79 -0.12 0.40 -0.53 0.00 0.00 176.83 178.22 3irh h ILE 315 N 0.84 0.71 -0.51 2.23 2.04 -1.94 -2.04 117.51 118.84 3irh h ILE 315 Ca 0.20 -0.88 0.09 0.00 1.00 0.00 0.00 64.86 65.28 3irh h ILE 315 Cb 0.21 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 3irh h ILE 315 CO -0.02 0.16 0.07 0.25 0.00 0.00 0.00 178.15 178.61 3irh h LEU 316 N -0.85 -0.07 -0.62 1.44 5.85 -1.94 0.19 115.31 119.31 3irh h LEU 316 Ca -0.03 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3irh h LEU 316 Cb 0.51 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3irh h LEU 316 CO 0.05 -0.01 0.33 1.23 -0.34 0.00 0.00 178.44 179.70 3irh h GLY 317 N 0.20 0.94 0.78 3.75 0.00 -1.43 0.19 103.07 107.50 3irh h GLY 317 Ca 0.26 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3irh h GLY 317 CO -0.37 0.42 -0.10 -1.80 0.00 0.00 0.00 176.54 174.69 3irh h ASP 318 N 0.85 0.40 -0.40 0.19 3.58 -0.95 -2.30 116.42 117.79 3irh h ASP 318 Ca 0.22 -0.42 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 3irh h ASP 318 Cb 0.07 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3irh h ASP 318 CO -0.03 0.74 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.98 3irh h LEU 319 N 0.07 0.78 -0.40 2.28 3.38 -0.50 -0.02 115.31 120.90 3irh h LEU 319 Ca 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3irh h LEU 319 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3irh h LEU 319 CO 0.03 0.86 0.21 0.00 0.09 0.00 0.00 178.44 179.63 3irh h ALA 320 N 1.22 0.51 -0.36 1.53 0.00 -0.97 -2.30 119.26 118.89 3irh h ALA 320 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3irh h ALA 320 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3irh h ALA 320 CO 0.02 0.04 0.21 -0.22 0.00 0.00 0.00 179.25 179.31 3irh h LYS 321 N 0.51 0.49 -0.38 0.00 3.64 -1.05 -2.15 116.57 117.62 3irh h LYS 321 Ca 0.14 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3irh h LYS 321 Cb 0.07 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3irh h LYS 321 CO -0.02 0.38 0.05 0.00 -2.27 0.00 0.00 179.45 177.59 3irh h ARG 322 N 0.47 0.58 -0.22 1.90 3.08 -0.90 0.34 114.38 119.63 3irh h ARG 322 Ca 0.13 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3irh h ARG 322 Cb 0.02 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3irh h ARG 322 CO -0.02 0.56 -0.14 0.35 -1.07 0.00 0.00 179.97 179.65 3irh h PHE 323 N 0.56 0.57 -0.04 3.04 3.57 -1.18 0.16 116.94 123.62 3irh h PHE 323 Ca 0.12 -0.15 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 3irh h PHE 323 Cb 0.28 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3irh h PHE 323 CO 0.01 0.79 -0.77 -0.07 -2.23 0.00 0.00 178.31 176.04 3irh h LEU 324 N 0.19 0.37 -1.22 0.59 3.38 -1.07 -3.20 115.31 114.34 3irh h LEU 324 Ca 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3irh h LEU 324 Cb 0.66 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3irh h LEU 324 CO 0.04 1.00 0.00 0.23 0.09 0.00 0.00 178.44 179.80 3irh n MET 325 N -3.78 1.82 -3.14 1.13 2.81 0.08 -4.98 117.12 111.06 3irh n MET 325 Ca -0.04 -1.21 -0.11 0.00 -1.81 0.00 0.00 57.70 54.53 3irh n MET 325 Cb 0.73 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.81 3irh n MET 325 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3irh n ARG 326 N 0.44 -1.81 -3.50 0.03 0.63 -0.98 -5.01 116.66 106.47 3irh n ARG 326 Ca 0.17 1.62 -0.27 0.00 -0.92 0.00 0.00 57.85 58.46 3irh n ARG 326 Cb 0.38 -4.80 -0.09 0.00 0.45 0.00 0.00 32.46 28.39 3irh n ARG 326 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3irh n LYS 327 N -1.15 1.49 -1.50 -0.14 5.02 0.01 -5.05 118.16 116.84 3irh n LYS 327 Ca -0.01 -4.02 -0.34 0.00 -2.02 0.00 0.00 58.31 51.92 3irh n LYS 327 Cb 0.54 -1.93 0.08 0.00 -0.02 0.00 0.00 35.03 33.70 3irh n LYS 327 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3irh s PRO 328 N -1.43 2.30 0.32 1.97 0.04 -1.26 -4.83 135.00 132.11 3irh s PRO 328 Ca 0.33 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 3irh s PRO 328 Cb 0.08 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 3irh s PRO 328 CO -0.11 -1.68 1.26 -0.51 0.04 0.00 0.00 177.00 176.01 3irh s LEU 329 N -5.16 4.45 0.67 -3.56 1.43 -1.21 -4.62 118.68 110.68 3irh s LEU 329 Ca 0.71 2.60 -0.10 0.00 -1.03 0.00 0.00 54.13 56.30 3irh s LEU 329 Cb -0.25 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.33 3irh s LEU 329 CO 0.45 -0.45 1.05 -0.54 0.23 0.00 0.00 176.35 177.08 3irh s LYS 330 N -1.69 2.98 0.04 1.70 -0.14 0.35 -4.54 119.74 118.43 3irh s LYS 330 Ca 0.48 0.41 -0.03 0.00 -1.36 0.00 0.00 55.97 55.47 3irh s LYS 330 Cb -0.38 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 33.67 3irh s LYS 330 CO 0.50 -0.90 0.03 -1.54 -0.76 0.00 0.00 175.35 172.68 3irh s SER 331 N -4.32 0.28 0.04 2.83 1.04 -1.26 -0.15 113.70 112.16 3irh s SER 331 Ca 0.57 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 56.41 3irh s SER 331 Cb -0.11 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 3irh s SER 331 CO 0.51 -0.49 -0.22 0.00 0.98 0.00 0.00 173.24 174.02 3irh s ALA 332 N -2.73 1.87 0.32 5.32 0.00 0.31 -4.90 121.76 121.96 3irh s ALA 332 Ca -0.04 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 3irh s ALA 332 Cb -0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 3irh s ALA 332 CO -0.05 0.43 0.83 0.95 0.00 0.00 0.00 175.76 177.91 3irh s THR 333 N -0.77 4.48 -0.05 0.00 -4.23 0.17 -0.86 115.64 114.38 3irh s THR 333 Ca 0.08 1.35 -0.19 0.00 -1.18 0.00 0.00 61.69 61.75 3irh s THR 333 Cb -0.09 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 70.03 3irh s THR 333 CO 0.02 -0.04 0.43 0.72 -0.54 0.00 0.00 174.62 175.21 3irh s PHE 334 N -1.83 -0.37 -0.34 3.99 -0.12 -0.91 -0.72 117.98 117.69 3irh s PHE 334 Ca 0.52 0.67 0.17 0.00 -0.05 0.00 0.00 56.93 58.24 3irh s PHE 334 Cb -0.13 0.19 -0.23 0.00 -0.63 0.00 0.00 43.02 42.22 3irh s PHE 334 CO 0.19 -0.42 0.51 0.25 -0.05 0.00 0.00 175.22 175.69 3irh n THR 335 N 1.47 0.00 -3.84 -4.49 -2.24 -1.26 -4.50 114.28 99.42 3irh n THR 335 Ca -0.19 -0.27 -0.28 0.00 -2.27 0.00 0.00 64.05 61.04 3irh n THR 335 Cb 0.56 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 69.11 3irh n THR 335 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3irh s ASN 336 N -3.36 2.87 0.12 3.42 3.84 -1.26 -5.03 114.94 115.54 3irh s ASN 336 Ca -0.01 -0.73 -0.16 0.00 0.21 0.00 0.00 52.86 52.18 3irh s ASN 336 Cb 0.11 -0.80 -0.03 0.00 -0.55 0.00 0.00 41.25 39.99 3irh s ASN 336 CO 0.69 -0.23 1.59 -0.08 -2.79 0.00 0.00 177.10 176.28 3irh h GLU 337 N 8.16 0.63 -0.59 0.43 4.81 -1.97 -1.81 114.58 124.23 3irh h GLU 337 Ca -0.20 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 3irh h GLU 337 Cb 1.11 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3irh h GLU 337 CO 0.37 0.70 0.03 -0.22 -0.73 0.00 0.00 179.01 179.16 3irh h LYS 338 N 0.46 1.00 0.00 1.92 3.64 -2.01 -2.41 116.57 119.18 3irh h LYS 338 Ca 0.11 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 3irh h LYS 338 Cb 0.39 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3irh h LYS 338 CO 0.01 0.96 -0.73 0.93 -2.27 0.00 0.00 179.45 178.35 3irh h GLU 339 N 0.93 0.00 -0.01 1.90 4.39 -1.99 -3.26 114.58 116.55 3irh h GLU 339 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3irh h GLU 339 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3irh h GLU 339 CO 0.02 0.32 -0.21 0.43 -1.16 0.00 0.00 179.01 178.41 3irh n SER 340 N -3.06 0.96 -0.23 1.42 7.64 -0.69 -4.35 113.62 115.30 3irh n SER 340 Ca -0.01 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.00 3irh n SER 340 Cb 0.72 0.09 0.12 0.00 -1.01 0.00 0.00 64.21 64.12 3irh n SER 340 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3irh h ALA 341 N 3.71 0.92 -0.43 -0.43 0.00 -1.47 -0.51 119.26 121.05 3irh h ALA 341 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3irh h ALA 341 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3irh h ALA 341 CO 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.34 3irh h ALA 342 N 1.40 0.56 -0.45 0.00 0.00 -1.83 -2.20 119.26 116.75 3irh h ALA 342 Ca 0.32 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3irh h ALA 342 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3irh h ALA 342 CO -0.24 0.22 -0.12 1.15 0.00 0.00 0.00 179.25 180.25 3irh h THR 343 N 0.56 1.27 -0.50 0.00 2.02 -1.71 -2.50 112.91 112.05 3irh h THR 343 Ca 0.14 -1.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.01 3irh h THR 343 Cb 0.28 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3irh h THR 343 CO -0.00 0.43 0.07 0.40 0.37 0.00 0.00 175.52 176.79 3irh h ILE 344 N 0.71 1.25 -0.85 3.11 2.04 -1.09 -2.59 117.51 120.08 3irh h ILE 344 Ca 0.11 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3irh h ILE 344 Cb 0.67 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3irh h ILE 344 CO 0.05 0.34 0.46 0.00 0.00 0.00 0.00 178.15 179.00 3irh h ALA 345 N 0.97 1.20 0.70 1.87 0.00 -1.38 -2.07 119.26 120.55 3irh h ALA 345 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3irh h ALA 345 Cb 0.41 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3irh h ALA 345 CO 0.01 0.64 -0.34 -0.92 0.00 0.00 0.00 179.25 178.64 3irh h TYR 346 N 1.20 -0.87 -0.91 0.00 5.03 -1.24 -2.54 116.97 117.62 3irh h TYR 346 Ca 0.30 -0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.76 3irh h TYR 346 Cb 0.04 0.29 -0.07 0.00 1.55 0.00 0.00 36.73 38.53 3irh h TYR 346 CO 0.01 -0.53 0.59 -0.07 -1.32 0.00 0.00 178.16 176.84 3irh h LEU 347 N -1.00 0.59 -1.32 2.82 3.38 -1.48 -0.07 115.31 118.23 3irh h LEU 347 Ca -0.10 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3irh h LEU 347 Cb 0.74 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3irh h LEU 347 CO 0.16 0.26 -0.14 0.03 0.09 0.00 0.00 178.44 178.84 3irh h ARG 348 N 0.60 0.28 -0.13 1.13 3.08 -1.23 -0.53 114.38 117.59 3irh h ARG 348 Ca 0.48 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.31 3irh h ARG 348 Cb 0.91 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3irh h ARG 348 CO -0.22 0.43 -0.56 0.93 -1.07 0.00 0.00 179.97 179.47 3irh h GLU 349 N 0.26 0.42 -0.03 0.04 5.08 -0.59 -2.19 114.58 117.57 3irh h GLU 349 Ca 0.05 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3irh h GLU 349 Cb 0.42 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3irh h GLU 349 CO 0.02 0.87 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.82 3irh h LEU 350 N 0.32 0.06 -0.75 1.33 3.38 -0.84 -0.79 115.31 118.01 3irh h LEU 350 Ca 0.00 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 57.68 3irh h LEU 350 Cb 1.08 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 3irh h LEU 350 CO 0.10 0.45 0.37 0.40 0.09 0.00 0.00 178.44 179.84 3irh h ILE 351 N -0.34 0.80 -0.57 1.22 2.04 -1.17 -2.19 117.51 117.30 3irh h ILE 351 Ca 0.01 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 3irh h ILE 351 Cb 0.43 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3irh h ILE 351 CO 0.00 0.11 -0.05 -0.08 0.00 0.00 0.00 178.15 178.13 3irh h GLU 352 N 0.59 1.04 0.00 2.37 4.81 -1.33 -2.39 114.58 119.67 3irh h GLU 352 Ca 0.38 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3irh h GLU 352 Cb 0.46 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3irh h GLU 352 CO -0.31 1.05 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.75 3irh h LYS 353 N 0.92 0.00 -0.01 1.92 3.64 -0.53 0.38 116.57 122.89 3irh h LYS 353 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3irh h LYS 353 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3irh h LYS 353 CO 0.04 0.06 -0.17 0.28 -2.27 0.00 0.00 179.45 177.39 3irh n VAL 354 N -3.90 0.00 -0.19 2.00 0.31 -0.98 -4.96 118.33 110.62 3irh n VAL 354 Ca -0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3irh n VAL 354 Cb 0.15 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3irh n VAL 354 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3irh n GLY 355 N 1.29 0.96 3.66 2.92 0.00 0.12 -5.08 105.19 109.06 3irh n GLY 355 Ca 0.14 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3irh n GLY 355 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3irh s PHE 356 N -2.00 3.32 -0.37 1.61 0.40 -0.91 -5.02 117.98 115.01 3irh s PHE 356 Ca 0.00 0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 56.26 3irh s PHE 356 Cb 0.00 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 3irh s PHE 356 CO 0.00 0.10 1.63 1.21 0.70 0.00 0.00 175.22 178.86 3irh s ASN 357 N 0.89 6.08 0.54 1.36 3.84 -1.26 -3.27 114.94 123.12 3irh s ASN 357 Ca 0.07 1.09 0.36 0.00 0.21 0.00 0.00 52.86 54.60 3irh s ASN 357 Cb -0.13 -2.53 1.90 0.00 -0.55 0.00 0.00 41.25 39.94 3irh s ASN 357 CO 0.03 -1.59 2.10 1.55 -2.79 0.00 0.00 177.10 176.40 3irh h PRO 358 N 11.94 0.00 -0.69 0.43 0.13 -1.91 -2.07 132.00 139.83 3irh h PRO 358 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 3irh h PRO 358 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3irh h PRO 358 CO 1.06 0.00 0.27 -0.22 -0.23 0.00 0.00 178.00 178.88 3irh h LYS 359 N 0.00 1.02 0.00 0.86 3.64 -1.90 -2.17 116.57 118.02 3irh h LYS 359 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3irh h LYS 359 Cb 0.06 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3irh h LYS 359 CO 0.00 0.84 -0.74 0.66 -2.27 0.00 0.00 179.45 177.94 3irh n TYR 360 N -4.30 0.00 -0.18 1.91 4.02 -0.84 -4.52 117.16 113.25 3irh n TYR 360 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.98 3irh n TYR 360 Cb 0.18 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.56 3irh n TYR 360 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3irh n TYR 361 N -1.38 0.18 -4.00 -0.72 4.02 -0.84 -4.93 117.16 109.49 3irh n TYR 361 Ca 0.03 -0.56 -0.08 0.00 -0.01 0.00 0.00 57.90 57.28 3irh n TYR 361 Cb 0.24 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 3irh n TYR 361 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3irh s THR 362 N -1.23 0.15 0.10 -0.72 2.01 -0.82 -3.69 115.64 111.45 3irh s THR 362 Ca 0.11 -1.27 -0.24 0.00 0.31 0.00 0.00 61.69 60.60 3irh s THR 362 Cb 0.07 -0.89 0.07 0.00 0.01 0.00 0.00 72.50 71.76 3irh s THR 362 CO 0.05 -0.70 0.60 0.00 -0.69 0.00 0.00 174.62 173.88 3irh s ALA 363 N -2.66 -1.56 -0.26 7.40 0.00 -1.01 -4.77 121.76 118.90 3irh s ALA 363 Ca -0.05 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 3irh s ALA 363 Cb -0.01 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 3irh s ALA 363 CO -0.05 -0.65 0.04 0.42 0.00 0.00 0.00 175.76 175.52 3irh s ILE 364 N -3.06 3.91 0.00 0.00 -1.09 -1.26 -0.93 121.20 118.77 3irh s ILE 364 Ca -0.02 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 3irh s ILE 364 Cb -0.01 -2.88 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 3irh s ILE 364 CO -0.07 0.27 -0.09 0.21 -1.23 0.00 0.00 174.94 174.04 3irh s ASN 365 N 1.53 1.01 0.00 3.58 2.47 -0.24 -4.99 114.94 118.30 3irh s ASN 365 Ca 0.05 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.12 3irh s ASN 365 Cb -0.16 -0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.55 3irh s ASN 365 CO 0.01 0.07 0.00 -1.20 -3.72 0.00 0.00 177.10 172.26 3irh n SER 366 N 2.69 4.80 -2.15 -4.21 7.64 -1.26 -0.25 113.62 120.87 3irh n SER 366 Ca -0.14 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.65 3irh n SER 366 Cb 0.57 0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 64.23 3irh n SER 366 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3irh n SER 367 N -1.94 -0.71 0.28 6.43 3.41 -1.26 -3.13 113.62 116.71 3irh n SER 367 Ca 0.00 -2.10 0.17 0.00 -0.26 0.00 0.00 58.87 56.67 3irh n SER 367 Cb 0.48 1.36 0.81 0.00 -0.26 0.00 0.00 64.21 66.59 3irh n SER 367 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3irh h TYR 368 N 1.58 0.00 0.00 7.33 -0.00 -1.95 -3.49 116.97 120.44 3irh h TYR 368 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.58 3irh h TYR 368 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.40 3irh h TYR 368 CO 0.00 0.06 0.00 -0.25 -0.00 0.00 0.00 178.16 177.97 3irh n ASP 369 N -3.29 0.00 0.00 0.10 8.00 -1.26 -4.83 116.55 115.27 3irh n ASP 369 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3irh n ASP 369 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3irh n ASP 369 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3irh n THR 384 N 0.00 -0.75 -2.20 -3.53 -2.24 -1.26 -4.78 114.28 99.52 3irh n THR 384 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3irh n THR 384 Cb 0.00 -0.08 0.14 0.00 -2.10 0.00 0.00 70.33 68.28 3irh n THR 384 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3irh n GLN 385 N -0.17 -0.53 -4.02 -0.78 1.13 -1.26 -4.89 117.38 106.87 3irh n GLN 385 Ca 0.00 -2.08 -0.33 0.00 -1.94 0.00 0.00 57.00 52.66 3irh n GLN 385 Cb 0.00 -0.85 -0.15 0.00 0.11 0.00 0.00 30.24 29.35 3irh n GLN 385 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3irh s ILE 386 N -3.03 2.42 -0.16 5.09 1.01 -1.26 -4.66 121.20 120.60 3irh s ILE 386 Ca 0.61 -1.66 -0.23 0.00 0.00 0.00 0.00 60.65 59.37 3irh s ILE 386 Cb -0.03 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3irh s ILE 386 CO 0.41 -0.12 0.72 -1.61 0.00 0.00 0.00 174.94 174.34 3irh s GLU 387 N 1.12 4.29 -0.10 2.79 0.41 -1.26 -1.69 118.70 124.26 3irh s GLU 387 Ca -0.06 0.82 -0.09 0.00 -0.41 0.00 0.00 54.97 55.23 3irh s GLU 387 Cb -0.20 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.56 3irh s GLU 387 CO -0.04 -0.20 0.21 -0.51 -0.49 0.00 0.00 175.26 174.23 3irh s LEU 388 N 1.74 4.40 -0.17 1.80 1.43 0.11 -1.56 118.68 126.43 3irh s LEU 388 Ca 0.34 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.99 3irh s LEU 388 Cb -0.16 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 3irh s LEU 388 CO 0.13 0.37 -0.07 -0.32 0.23 0.00 0.00 176.35 176.69 3irh s MET 389 N -0.91 3.48 0.68 1.70 -2.45 0.68 -0.29 119.30 122.19 3irh s MET 389 Ca 0.17 -0.61 -0.09 0.00 -1.25 0.00 0.00 55.69 53.91 3irh s MET 389 Cb -0.13 -2.86 0.02 0.00 1.25 0.00 0.00 34.83 33.11 3irh s MET 389 CO 0.06 0.08 1.03 -0.65 1.05 0.00 0.00 175.02 176.59 3irh s GLN 390 N 0.75 2.76 0.36 4.11 -0.21 -0.02 -1.18 119.66 126.23 3irh s GLN 390 Ca -0.03 0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.66 3irh s GLN 390 Cb -0.15 -2.11 0.80 0.00 1.00 0.00 0.00 33.01 32.55 3irh s GLN 390 CO 0.02 -0.99 1.91 -0.22 -2.12 0.00 0.00 175.29 173.89 3irh h LYS 391 N -0.53 0.69 -0.73 2.91 3.64 -2.00 0.36 116.57 120.91 3irh h LYS 391 Ca -0.45 -0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.17 3irh h LYS 391 Cb 1.27 -0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 32.80 3irh h LYS 391 CO 0.63 0.45 0.29 -3.47 -2.27 0.00 0.00 179.45 175.08 3irh n ASP 392 N -4.51 0.16 0.00 4.20 -0.08 -1.26 -4.85 116.55 110.21 3irh n ASP 392 Ca 0.14 1.22 0.00 0.00 -1.51 0.00 0.00 54.79 54.64 3irh n ASP 392 Cb 0.36 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.27 3irh n ASP 392 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3irh n GLY 393 N -1.24 2.26 3.89 0.27 0.00 0.11 -5.09 105.19 105.40 3irh n GLY 393 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 3irh n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3irh s SER 394 N -1.43 6.06 0.00 1.61 1.04 -1.26 -4.74 113.70 114.98 3irh s SER 394 Ca 0.00 1.16 0.01 0.00 0.48 0.00 0.00 55.95 57.60 3irh s SER 394 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 3irh s SER 394 CO 0.00 -0.87 0.03 -0.76 0.98 0.00 0.00 173.24 172.61 3irh s LEU 395 N -5.06 3.63 -0.02 2.42 1.43 -1.26 -0.84 118.68 118.98 3irh s LEU 395 Ca 0.53 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3irh s LEU 395 Cb -0.11 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.02 3irh s LEU 395 CO 0.50 0.27 -0.01 -0.69 0.23 0.00 0.00 176.35 176.65 3irh s VAL 396 N -1.13 0.18 0.38 -1.59 1.01 0.60 -4.97 120.40 114.89 3irh s VAL 396 Ca 0.21 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 3irh s VAL 396 Cb -0.12 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 3irh s VAL 396 CO 0.12 0.12 1.13 -0.70 0.00 0.00 0.00 175.10 175.76 3irh s GLU 397 N 0.70 4.16 0.31 2.72 2.56 -1.26 0.09 118.70 127.97 3irh s GLU 397 Ca -0.07 1.75 0.06 0.00 0.00 0.00 0.00 54.97 56.71 3irh s GLU 397 Cb -0.10 -2.71 0.76 0.00 2.00 0.00 0.00 34.13 34.08 3irh s GLU 397 CO -0.01 -0.20 1.77 1.25 -0.56 0.00 0.00 175.26 177.51 3irh h LEU 398 N 2.75 0.77 -1.40 2.70 5.85 -1.70 -2.03 115.31 122.26 3irh h LEU 398 Ca -0.48 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3irh h LEU 398 Cb 1.23 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3irh h LEU 398 CO 0.63 0.26 -0.08 0.00 -0.34 0.00 0.00 178.44 178.91 3irh h ALA 399 N 1.65 1.51 -0.57 1.25 0.00 -1.87 0.25 119.26 121.48 3irh h ALA 399 Ca 0.59 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3irh h ALA 399 Cb 0.94 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3irh h ALA 399 CO -0.39 0.35 0.25 1.15 0.00 0.00 0.00 179.25 180.61 3irh h THR 400 N 0.29 1.20 0.00 0.00 2.02 -1.75 -1.99 112.91 112.68 3irh h THR 400 Ca 0.06 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 3irh h THR 400 Cb 0.33 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3irh h THR 400 CO 0.02 0.24 -1.72 1.33 0.37 0.00 0.00 175.52 175.76 3irh n VAL 401 N -4.34 0.34 -3.05 3.16 0.24 -0.73 -4.72 118.33 109.23 3irh n VAL 401 Ca 0.05 -0.55 -0.17 0.00 -2.04 0.00 0.00 64.34 61.63 3irh n VAL 401 Cb 0.15 -0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.34 3irh n VAL 401 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3irh n SER 402 N -2.45 -0.38 -0.09 -1.34 2.88 0.80 -5.02 113.62 108.03 3irh n SER 402 Ca -0.05 -3.10 -0.06 0.00 -1.33 0.00 0.00 58.87 54.34 3irh n SER 402 Cb 0.62 0.15 0.13 0.00 -0.75 0.00 0.00 64.21 64.36 3irh n SER 402 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3irh h PRO 403 N 3.37 0.76 -0.09 -1.46 0.13 -1.57 -1.13 132.00 132.02 3irh h PRO 403 Ca 0.03 -0.25 -0.16 0.00 -0.87 0.00 0.00 66.00 64.74 3irh h PRO 403 Cb 0.98 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3irh h PRO 403 CO 0.40 0.84 -0.64 -0.07 -0.23 0.00 0.00 178.00 178.30 3irh h LEU 404 N 0.69 0.41 -0.17 1.56 3.38 -1.95 0.27 115.31 119.49 3irh h LEU 404 Ca 0.12 -0.24 -0.22 0.00 0.09 0.00 0.00 57.88 57.62 3irh h LEU 404 Cb 0.58 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3irh h LEU 404 CO 0.04 0.94 -0.77 0.58 0.09 0.00 0.00 178.44 179.31 3irh h VAL 405 N 0.26 1.28 -0.80 1.22 2.07 -1.96 -3.13 116.25 115.17 3irh h VAL 405 Ca -0.01 -1.97 0.01 0.00 0.82 0.00 0.00 66.70 65.55 3irh h VAL 405 Cb 1.18 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 3irh h VAL 405 CO 0.11 0.63 0.53 0.00 0.02 0.00 0.00 177.57 178.86 3irh h ALA 406 N 0.57 1.43 -0.68 1.67 0.00 -0.91 -1.33 119.26 120.02 3irh h ALA 406 Ca -0.05 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.94 3irh h ALA 406 Cb 1.40 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3irh h ALA 406 CO 0.16 0.53 0.46 0.00 0.00 0.00 0.00 179.25 180.40 3irh h ALA 407 N 1.50 2.12 -0.40 0.00 0.00 -0.43 -2.60 119.26 119.45 3irh h ALA 407 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3irh h ALA 407 Cb -0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3irh h ALA 407 CO -0.06 -0.29 0.15 -0.07 0.00 0.00 0.00 179.25 178.97 3irh h LEU 408 N 0.37 0.57 -0.87 0.00 3.38 -1.19 -2.75 115.31 114.83 3irh h LEU 408 Ca 0.33 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3irh h LEU 408 Cb 0.76 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3irh h LEU 408 CO -0.09 0.60 0.58 0.00 0.09 0.00 0.00 178.44 179.62 3irh h ALA 409 N 0.99 1.10 -0.00 1.53 0.00 -1.47 -2.96 119.26 118.46 3irh h ALA 409 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3irh h ALA 409 Cb 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3irh h ALA 409 CO -0.01 0.51 -0.04 0.41 0.00 0.00 0.00 179.25 180.13 3irh n GLY 410 N -1.34 -1.23 3.70 0.00 0.00 -1.13 -4.95 105.19 100.24 3irh n GLY 410 Ca 0.09 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3irh n GLY 410 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3irh s GLN 411 N -2.59 1.33 -0.02 1.61 -0.21 -1.05 -4.98 119.66 113.74 3irh s GLN 411 Ca 0.27 1.48 -0.23 0.00 0.02 0.00 0.00 55.36 56.90 3irh s GLN 411 Cb 0.20 -1.77 -0.16 0.00 1.00 0.00 0.00 33.01 32.28 3irh s GLN 411 CO 0.47 -2.38 1.03 0.77 -2.12 0.00 0.00 175.29 173.06 3irh h SER 412 N -1.65 -0.26 -0.32 5.90 0.02 -1.92 -3.46 113.55 111.86 3irh h SER 412 Ca -0.43 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.14 3irh h SER 412 Cb 1.26 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 3irh h SER 412 CO 0.44 0.21 -0.09 0.00 -1.14 0.00 0.00 176.83 176.25 3irh n GLN 413 N -5.01 -1.83 -1.59 3.45 6.02 -1.26 -4.88 117.38 112.28 3irh n GLN 413 Ca -0.08 0.61 -0.44 0.00 -0.01 0.00 0.00 57.00 57.07 3irh n GLN 413 Cb 0.26 -4.85 -0.04 0.00 1.02 0.00 0.00 30.24 26.63 3irh n GLN 413 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3irh n GLY 414 N 0.52 1.08 3.10 1.08 0.00 -1.26 -4.89 105.19 104.82 3irh n GLY 414 Ca -0.05 0.81 -0.42 0.00 0.00 0.00 0.00 46.02 46.36 3irh n GLY 414 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3irh n ASP 415 N 10.77 5.67 -4.68 1.61 4.64 -1.18 -5.03 116.55 128.33 3irh n ASP 415 Ca 0.30 -3.24 -0.42 0.00 -1.38 0.00 0.00 54.79 50.04 3irh n ASP 415 Cb 0.41 -1.25 -0.03 0.00 -1.04 0.00 0.00 41.12 39.21 3irh n ASP 415 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 3irh s GLU 416 N -2.06 4.29 0.03 -0.67 2.12 -1.26 -4.42 118.70 116.73 3irh s GLU 416 Ca 0.31 1.89 -0.05 0.00 0.36 0.00 0.00 54.97 57.48 3irh s GLU 416 Cb -0.01 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 3irh s GLU 416 CO 0.00 -0.57 0.08 1.03 -0.54 0.00 0.00 175.26 175.27 3irh s ARG 417 N 2.50 0.52 -0.16 4.30 0.52 0.65 -2.15 118.95 125.14 3irh s ARG 417 Ca 0.62 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 3irh s ARG 417 Cb -0.29 0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.38 3irh s ARG 417 CO 0.25 -0.12 -0.15 0.12 0.02 0.00 0.00 175.30 175.41 3irh s PHE 418 N -2.13 2.78 -0.07 -0.53 5.36 -0.04 -1.08 117.98 122.28 3irh s PHE 418 Ca -0.09 -1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 54.78 3irh s PHE 418 Cb -0.04 -1.90 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 3irh s PHE 418 CO -0.02 -0.50 0.02 0.71 -1.46 0.00 0.00 175.22 173.96 3irh s TYR 419 N 0.87 3.18 0.18 10.12 1.51 -0.10 -0.53 117.35 132.58 3irh s TYR 419 Ca -0.04 0.20 -0.20 0.00 -1.01 0.00 0.00 57.07 56.02 3irh s TYR 419 Cb -0.15 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.97 3irh s TYR 419 CO -0.01 0.49 0.56 -0.59 -1.11 0.00 0.00 175.55 174.89 3irh s PHE 420 N -0.95 -0.31 0.31 2.71 -0.12 0.79 -2.42 117.98 117.99 3irh s PHE 420 Ca 0.15 0.01 -0.29 0.00 -0.05 0.00 0.00 56.93 56.75 3irh s PHE 420 Cb -0.11 0.47 -0.10 0.00 -0.63 0.00 0.00 43.02 42.65 3irh s PHE 420 CO 0.05 -0.89 1.27 -2.14 -0.05 0.00 0.00 175.22 173.46 3irh s PRO 421 N -3.82 4.41 0.54 1.99 0.02 -1.24 -0.50 135.00 136.40 3irh s PRO 421 Ca 0.05 2.13 0.29 0.00 0.02 0.00 0.00 61.00 63.49 3irh s PRO 421 Cb -0.01 -3.10 1.45 0.00 0.02 0.00 0.00 34.50 32.85 3irh s PRO 421 CO -0.07 -0.12 1.94 -0.22 -0.33 0.00 0.00 177.00 178.20 3irh h LYS 422 N 3.62 0.00 -0.42 5.54 3.64 -1.90 -2.04 116.57 125.01 3irh h LYS 422 Ca -0.48 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.02 3irh h LYS 422 Cb 1.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3irh h LYS 422 CO 0.67 0.00 0.33 0.93 -2.27 0.00 0.00 179.45 179.10 3irh h GLU 423 N 0.00 0.00 0.00 1.90 3.07 -1.97 -1.21 114.58 116.37 3irh h GLU 423 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 3irh h GLU 423 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 3irh h GLU 423 CO -0.00 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.28 3irh n MET 424 N -4.24 0.14 -3.76 2.33 2.81 -0.77 -4.81 117.12 108.83 3irh n MET 424 Ca 0.07 0.19 -0.23 0.00 -1.81 0.00 0.00 57.70 55.92 3irh n MET 424 Cb 0.52 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 3irh n MET 424 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3irh s LEU 425 N -2.69 3.18 -0.19 4.03 1.43 -0.46 -4.32 118.68 119.66 3irh s LEU 425 Ca 0.11 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 3irh s LEU 425 Cb 0.09 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3irh s LEU 425 CO 0.22 -0.73 -0.12 -1.81 0.23 0.00 0.00 176.35 174.13 3irh s ASP 426 N -4.12 3.75 0.39 2.29 -0.00 -1.26 -5.03 116.67 112.69 3irh s ASP 426 Ca 0.44 -0.49 0.00 0.00 -0.00 0.00 0.00 52.55 52.49 3irh s ASP 426 Cb -0.01 -1.61 0.00 0.00 -0.00 0.00 0.00 42.92 41.30 3irh s ASP 426 CO 0.25 0.02 0.00 -0.90 -0.00 0.00 0.00 175.17 174.54 3irh n ASP 434 N 4.52 -1.29 0.00 0.27 5.68 -1.26 -5.22 116.55 119.25 3irh n ASP 434 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 3irh n ASP 434 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3irh n ASP 434 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3irh n LEU 435 N 0.00 0.85 -3.27 -2.12 4.77 -1.26 -4.88 117.00 111.09 3irh n LEU 435 Ca 0.00 -0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 54.74 3irh n LEU 435 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3irh n LEU 435 CO 0.00 0.21 1.35 2.22 -1.33 0.00 0.00 177.39 179.85 3irh n PHE 436 N -0.20 2.95 0.09 -1.77 -1.74 -1.26 -4.69 117.46 110.84 3irh n PHE 436 Ca 0.00 -2.57 -0.06 0.00 -0.56 0.00 0.00 57.45 54.25 3irh n PHE 436 Cb 0.36 -1.11 0.07 0.00 1.52 0.00 0.00 39.48 40.33 3irh n PHE 436 CO 0.00 0.00 0.00 -0.44 -0.56 0.00 0.00 176.76 175.76 3irh h ASP 437 N 3.60 0.25 0.32 5.98 5.19 -2.00 -2.94 116.42 126.81 3irh h ASP 437 Ca 0.52 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.73 3irh h ASP 437 Cb 0.24 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3irh h ASP 437 CO 1.25 0.87 -0.19 -0.08 -3.12 0.00 0.00 179.24 177.97 3irh h GLU 438 N 0.14 0.00 -0.20 3.56 4.57 -1.99 -2.09 114.58 118.56 3irh h GLU 438 Ca -0.02 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.98 3irh h GLU 438 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3irh h GLU 438 CO 0.11 0.19 -0.59 1.15 -1.18 0.00 0.00 179.01 178.69 3irh h THR 439 N 0.00 1.30 -0.63 0.32 2.02 -1.90 -1.76 112.91 112.25 3irh h THR 439 Ca -0.00 -1.80 -0.09 0.00 0.77 0.00 0.00 66.41 65.29 3irh h THR 439 Cb 0.40 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3irh h THR 439 CO 0.02 0.57 0.05 1.88 0.37 0.00 0.00 175.52 178.41 3irh h TYR 440 N 0.48 1.15 -0.05 3.16 0.05 -1.28 0.24 116.97 120.72 3irh h TYR 440 Ca -0.02 -0.18 -0.10 0.00 0.05 0.00 0.00 58.73 58.49 3irh h TYR 440 Cb 1.21 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 3irh h TYR 440 CO 0.09 0.99 -0.42 0.00 -1.05 0.00 0.00 178.16 177.76 3irh h ARG 441 N 0.99 0.10 -0.23 4.88 3.08 -1.45 0.15 114.38 121.89 3irh h ARG 441 Ca 0.19 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3irh h ARG 441 Cb 0.50 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3irh h ARG 441 CO 0.02 0.51 -0.20 1.49 -1.07 0.00 0.00 179.97 180.72 3irh h GLU 442 N 0.08 0.55 0.08 0.04 4.57 -0.90 -2.98 114.58 116.02 3irh h GLU 442 Ca 0.01 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3irh h GLU 442 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 3irh h GLU 442 CO 0.06 0.86 -0.04 0.35 -1.18 0.00 0.00 179.01 179.06 3irh h PHE 443 N 0.25 -0.10 0.00 0.92 3.57 -0.33 -3.04 116.94 118.20 3irh h PHE 443 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3irh h PHE 443 Cb 0.74 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.52 3irh h PHE 443 CO 0.07 0.06 0.00 -1.13 -2.23 0.00 0.00 178.31 175.08 3irh n SER 444 N -5.07 0.15 0.25 0.41 3.41 0.02 -1.82 113.62 110.97 3irh n SER 444 Ca -0.08 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 3irh n SER 444 Cb 0.13 -0.57 0.61 0.00 -0.26 0.00 0.00 64.21 64.11 3irh n SER 444 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3irh h SER 445 N 0.00 0.00 -0.35 4.04 4.64 -1.40 -2.73 113.55 117.75 3irh h SER 445 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3irh h SER 445 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3irh h SER 445 CO 0.00 0.11 0.00 -1.22 -0.87 0.00 0.00 176.83 174.85 3irh n TYR 446 N -3.28 0.47 -3.94 4.77 4.02 -0.76 -4.76 117.16 113.67 3irh n TYR 446 Ca 0.00 -0.23 -0.29 0.00 -0.01 0.00 0.00 57.90 57.37 3irh n TYR 446 Cb 0.35 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.50 3irh n TYR 446 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3irh s ILE 447 N -1.53 1.29 -0.17 -0.72 -1.09 -1.03 0.13 121.20 118.08 3irh s ILE 447 Ca 0.25 -0.62 -0.00 0.00 -2.23 0.00 0.00 60.65 58.04 3irh s ILE 447 Cb 0.13 -1.35 0.04 0.00 -1.58 0.00 0.00 42.46 39.70 3irh s ILE 447 CO 0.18 0.26 -0.06 -2.28 -1.23 0.00 0.00 174.94 171.81 3irh s HIS 448 N 1.57 1.74 -1.32 3.97 2.46 0.01 -4.82 115.29 118.91 3irh s HIS 448 Ca 0.02 -1.11 -0.01 0.00 0.47 0.00 0.00 55.06 54.43 3irh s HIS 448 Cb -0.14 -1.33 0.01 0.00 -0.13 0.00 0.00 32.58 30.98 3irh s HIS 448 CO -0.09 -0.62 0.77 0.09 -2.47 0.00 0.00 174.74 172.42 3irh n ASN 449 N 4.86 -1.68 -0.16 9.88 3.02 -1.26 -1.98 115.26 127.94 3irh n ASN 449 Ca -0.12 -0.79 -0.02 0.00 -0.03 0.00 0.00 54.58 53.62 3irh n ASN 449 Cb 0.48 -4.17 -0.01 0.00 -0.61 0.00 0.00 39.78 35.47 3irh n ASN 449 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3irh n GLY 450 N -1.55 0.44 3.29 7.41 0.00 -1.26 -4.98 105.19 108.53 3irh n GLY 450 Ca -0.26 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3irh n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irh s ALA 451 N -1.67 2.32 0.07 4.61 0.00 -0.84 -0.66 121.76 125.60 3irh s ALA 451 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 3irh s ALA 451 Cb 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 23.12 22.14 3irh s ALA 451 CO 0.00 0.32 1.52 -1.17 0.00 0.00 0.00 175.76 176.43 3irh s LEU 452 N 0.18 4.35 -0.24 0.00 2.96 0.10 -0.81 118.68 125.23 3irh s LEU 452 Ca -0.12 2.38 -0.12 0.00 -0.22 0.00 0.00 54.13 56.05 3irh s LEU 452 Cb -0.16 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3irh s LEU 452 CO 0.07 -0.79 0.21 -0.69 -1.32 0.00 0.00 176.35 173.83 3irh s VAL 453 N 2.07 5.32 -0.39 1.68 1.01 0.34 -4.90 120.40 125.54 3irh s VAL 453 Ca 0.69 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.72 3irh s VAL 453 Cb -0.38 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3irh s VAL 453 CO 0.30 0.31 0.78 -0.76 0.00 0.00 0.00 175.10 175.73 3irh s LEU 454 N 1.23 4.16 0.00 3.92 1.43 -1.26 -4.73 118.68 123.43 3irh s LEU 454 Ca 0.10 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3irh s LEU 454 Cb -0.14 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.08 3irh s LEU 454 CO 0.06 -0.77 0.22 0.29 0.23 0.00 0.00 176.35 176.38 3irh n LYS 455 N 6.48 0.32 0.00 1.70 4.76 -1.26 -5.12 118.16 125.05 3irh n LYS 455 Ca 0.03 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 53.92 3irh n LYS 455 Cb 0.48 1.41 0.00 0.00 -1.84 0.00 0.00 35.03 35.08 3irh n LYS 455 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66