#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ira s GLU 1 N 0.00 4.20 0.66 0.00 0.41 -1.26 -5.09 118.70 117.62 3ira s GLU 1 Ca 0.00 0.13 -0.11 0.00 -0.41 0.00 0.00 54.97 54.58 3ira s GLU 1 Cb 0.00 -3.50 -0.01 0.00 -1.78 0.00 0.00 34.13 28.84 3ira s GLU 1 CO 0.00 0.06 1.05 -1.25 -0.49 0.00 0.00 175.26 174.63 3ira s PRO 2 N 1.01 3.21 0.69 0.39 0.04 -1.26 -4.92 135.00 134.16 3ira s PRO 2 Ca 0.17 0.83 -0.07 0.00 0.04 0.00 0.00 61.00 61.97 3ira s PRO 2 Cb -0.14 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.52 3ira s PRO 2 CO 0.07 -0.87 0.94 0.27 0.04 0.00 0.00 177.00 177.44 3ira n ASN 3 N -2.96 0.61 0.32 6.66 0.23 0.75 -4.96 115.26 115.92 3ira n ASN 3 Ca 0.07 -1.67 0.20 0.00 -0.53 0.00 0.00 54.58 52.65 3ira n ASN 3 Cb 0.54 -0.67 1.11 0.00 -2.08 0.00 0.00 39.78 38.68 3ira n ASN 3 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3ira h ARG 4 N 0.00 0.00 0.00 -3.83 3.08 -1.87 -1.90 114.38 109.86 3ira h ARG 4 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3ira h ARG 4 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3ira h ARG 4 CO 0.27 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.45 3ira n LEU 5 N -3.27 0.05 0.10 3.04 4.77 -1.26 -1.56 117.00 118.87 3ira n LEU 5 Ca -0.03 0.51 0.18 0.00 -0.03 0.00 0.00 56.01 56.64 3ira n LEU 5 Cb 0.11 -0.51 0.73 0.00 -2.33 0.00 0.00 43.42 41.42 3ira n LEU 5 CO 0.21 -0.37 1.16 -0.29 -1.33 0.00 0.00 177.39 176.77 3ira h ILE 6 N 0.00 0.67 0.00 -0.08 6.09 -1.63 -1.55 117.51 121.01 3ira h ILE 6 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3ira h ILE 6 Cb 0.16 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.25 3ira h ILE 6 CO 0.00 0.00 -0.05 0.29 -3.07 0.00 0.00 178.15 175.32 3ira n LYS 7 N -4.19 0.02 -2.04 2.19 4.76 -0.60 -4.92 118.16 113.38 3ira n LYS 7 Ca 0.05 0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.19 3ira n LYS 7 Cb 0.45 -1.52 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3ira n LYS 7 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3ira s GLU 8 N -3.01 3.64 -0.04 1.97 0.41 -0.58 -4.99 118.70 116.09 3ira s GLU 8 Ca 0.13 0.88 0.07 0.00 -0.41 0.00 0.00 54.97 55.64 3ira s GLU 8 Cb 0.18 -2.09 -0.24 0.00 -1.78 0.00 0.00 34.13 30.21 3ira s GLU 8 CO 0.55 -0.53 0.69 0.87 -0.49 0.00 0.00 175.26 176.35 3ira h LYS 9 N 0.14 0.08 -6.38 1.61 1.79 -1.91 -3.44 116.57 108.45 3ira h LYS 9 Ca -0.45 -0.13 -0.59 0.00 -2.18 0.00 0.00 60.65 57.30 3ira h LYS 9 Cb 1.19 0.05 0.03 0.00 -1.58 0.00 0.00 32.23 31.92 3ira h LYS 9 CO 0.61 0.74 1.02 0.45 -1.08 0.00 0.00 179.45 181.19 3ira n SER 10 N -3.20 3.48 -0.05 0.86 2.88 -1.26 -4.86 113.62 111.48 3ira n SER 10 Ca -0.18 1.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.37 3ira n SER 10 Cb 1.04 -1.42 0.31 0.00 -0.75 0.00 0.00 64.21 63.38 3ira n SER 10 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ira h PRO 11 N 8.24 0.64 -0.10 -1.46 0.11 -1.99 0.16 132.00 137.61 3ira h PRO 11 Ca -0.47 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 3ira h PRO 11 Cb 1.26 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ira h PRO 11 CO 0.93 0.55 0.06 -0.92 -0.21 0.00 0.00 178.00 178.40 3ira h TYR 12 N 0.64 0.13 -0.30 0.65 3.20 -1.99 -0.66 116.97 118.64 3ira h TYR 12 Ca 0.15 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3ira h TYR 12 Cb 0.16 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3ira h TYR 12 CO 0.01 0.13 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.36 3ira h LEU 13 N 0.09 0.71 -1.32 2.82 3.38 -1.74 -3.04 115.31 116.21 3ira h LEU 13 Ca 0.03 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.68 3ira h LEU 13 Cb 0.04 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3ira h LEU 13 CO -0.01 1.01 0.55 -0.07 0.09 0.00 0.00 178.44 180.01 3ira h LEU 14 N 0.42 0.66 -0.92 1.67 3.38 -0.55 -0.16 115.31 119.81 3ira h LEU 14 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ira h LEU 14 Cb 0.78 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3ira h LEU 14 CO 0.06 0.36 0.00 1.67 0.09 0.00 0.00 178.44 180.62 3ira n GLN 15 N -4.53 0.11 -0.12 1.13 7.27 -0.27 -1.22 117.38 119.75 3ira n GLN 15 Ca 0.15 0.55 0.08 0.00 0.07 0.00 0.00 57.00 57.86 3ira n GLN 15 Cb 0.40 -1.82 0.14 0.00 2.41 0.00 0.00 30.24 31.37 3ira n GLN 15 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3ira n HIS 16 N -2.04 0.31 0.30 3.69 8.25 -0.08 -4.61 115.22 121.04 3ira n HIS 16 Ca -0.00 -0.23 0.20 0.00 -0.26 0.00 0.00 57.72 57.43 3ira n HIS 16 Cb 0.07 -0.01 0.90 0.00 1.12 0.00 0.00 29.99 32.07 3ira n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ira h ALA 17 N 3.08 1.00 -0.50 -1.41 0.00 -1.16 -1.95 119.26 118.31 3ira h ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ira h ALA 17 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ira h ALA 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3ira n TYR 18 N -3.08 0.73 -1.90 0.00 4.02 -1.26 -0.18 117.16 115.49 3ira n TYR 18 Ca -0.01 -0.52 -0.37 0.00 -0.01 0.00 0.00 57.90 57.00 3ira n TYR 18 Cb 0.21 -0.04 0.05 0.00 -0.02 0.00 0.00 39.34 39.54 3ira n TYR 18 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3ira s ASN 19 N -1.03 4.99 0.08 7.72 0.01 -0.74 -4.87 114.94 121.10 3ira s ASN 19 Ca 0.35 2.51 0.21 0.00 -0.71 0.00 0.00 52.86 55.22 3ira s ASN 19 Cb 0.19 -2.61 0.85 0.00 0.41 0.00 0.00 41.25 40.09 3ira s ASN 19 CO 0.22 -1.73 1.65 -0.81 -1.51 0.00 0.00 177.10 174.92 3ira n PRO 20 N -1.63 0.07 -2.06 -0.60 -0.04 -1.25 -4.63 135.00 124.87 3ira n PRO 20 Ca 0.14 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.42 3ira n PRO 20 Cb 0.49 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3ira n PRO 20 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ira s VAL 21 N -3.08 2.88 -1.46 0.52 1.01 -1.26 -4.83 120.40 114.18 3ira s VAL 21 Ca 0.08 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 3ira s VAL 21 Cb 0.12 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.10 3ira s VAL 21 CO 0.38 0.08 2.35 -0.67 0.00 0.00 0.00 175.10 177.24 3ira n ASP 22 N 3.29 5.46 -4.77 3.32 2.03 -1.26 -4.87 116.55 119.74 3ira n ASP 22 Ca 0.10 -2.84 -0.40 0.00 0.52 0.00 0.00 54.79 52.16 3ira n ASP 22 Cb 0.41 -1.59 -0.00 0.00 -0.72 0.00 0.00 41.12 39.22 3ira n ASP 22 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3ira s TRP 23 N 2.22 2.68 0.16 -0.67 0.52 -1.26 -4.49 118.94 118.09 3ira s TRP 23 Ca 0.51 1.28 0.07 0.00 0.02 0.00 0.00 56.10 57.99 3ira s TRP 23 Cb 0.14 -3.87 -0.04 0.00 -1.15 0.00 0.00 33.47 28.56 3ira s TRP 23 CO -0.07 -2.60 0.01 0.71 0.02 0.00 0.00 176.95 175.02 3ira s TYR 24 N -1.17 2.90 0.84 -1.98 1.51 0.24 -3.45 117.35 116.23 3ira s TYR 24 Ca 0.55 -0.11 -0.12 0.00 -1.01 0.00 0.00 57.07 56.38 3ira s TYR 24 Cb -0.43 -1.42 0.10 0.00 -0.11 0.00 0.00 41.96 40.10 3ira s TYR 24 CO 0.57 0.51 1.16 -1.25 -1.11 0.00 0.00 175.55 175.42 3ira s PRO 25 N -2.84 1.73 0.16 -1.71 0.04 -1.26 -1.41 135.00 129.72 3ira s PRO 25 Ca 0.27 0.22 -0.32 0.00 0.04 0.00 0.00 61.00 61.22 3ira s PRO 25 Cb -0.10 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3ira s PRO 25 CO 0.19 -1.78 1.62 -0.46 0.04 0.00 0.00 177.00 176.61 3ira s TRP 26 N -3.44 2.95 0.00 0.56 -0.11 -1.26 -4.72 118.94 112.91 3ira s TRP 26 Ca 0.62 0.52 0.00 0.00 1.22 0.00 0.00 56.10 58.46 3ira s TRP 26 Cb -0.12 -3.98 0.00 0.00 -1.50 0.00 0.00 33.47 27.86 3ira s TRP 26 CO 0.51 -3.69 0.00 0.41 -4.62 0.00 0.00 176.95 169.56 3ira n GLY 27 N 3.84 0.99 0.12 5.86 0.00 -1.26 -5.02 105.19 109.72 3ira n GLY 27 Ca 0.15 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 3ira n GLY 27 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ira h GLU 28 N 0.00 0.00 -0.52 1.61 5.08 -2.00 -3.13 114.58 115.63 3ira h GLU 28 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3ira h GLU 28 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3ira h GLU 28 CO 0.00 0.64 0.11 1.49 -1.00 0.00 0.00 179.01 180.25 3ira h GLU 29 N 0.00 0.24 -0.20 2.33 4.81 -1.95 0.36 114.58 120.17 3ira h GLU 29 Ca -0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3ira h GLU 29 Cb 1.41 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 3ira h GLU 29 CO 0.08 0.16 0.10 0.00 -0.73 0.00 0.00 179.01 178.63 3ira h ALA 30 N 1.40 0.26 -0.05 2.92 0.00 -1.83 0.12 119.26 122.09 3ira h ALA 30 Ca 0.26 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3ira h ALA 30 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ira h ALA 30 CO -0.34 -0.19 -0.43 0.74 0.00 0.00 0.00 179.25 179.04 3ira h PHE 31 N 0.20 0.13 -0.38 0.00 0.04 -1.44 -0.54 116.94 114.96 3ira h PHE 31 Ca 0.07 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 3ira h PHE 31 Cb 0.11 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3ira h PHE 31 CO -0.03 0.53 -0.15 0.93 -0.60 0.00 0.00 178.31 178.98 3ira h GLU 32 N 0.09 0.77 -0.71 1.51 5.08 0.01 -1.11 114.58 120.22 3ira h GLU 32 Ca 0.01 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3ira h GLU 32 Cb 0.80 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 3ira h GLU 32 CO 0.06 0.94 0.42 -0.22 -1.00 0.00 0.00 179.01 179.21 3ira h LYS 33 N 0.57 0.76 -0.52 2.33 3.64 -0.54 0.26 116.57 123.08 3ira h LYS 33 Ca 0.09 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3ira h LYS 33 Cb 0.69 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3ira h LYS 33 CO 0.05 0.51 0.18 0.00 -2.27 0.00 0.00 179.45 177.91 3ira h ALA 34 N 1.34 0.68 0.12 5.00 0.00 -0.81 -0.89 119.26 124.70 3ira h ALA 34 Ca 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ira h ALA 34 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ira h ALA 34 CO -0.16 0.32 -0.06 -0.09 0.00 0.00 0.00 179.25 179.27 3ira h ARG 35 N 0.71 -0.15 -0.94 0.00 2.43 -0.90 0.39 114.38 115.92 3ira h ARG 35 Ca 0.17 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 3ira h ARG 35 Cb 0.25 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3ira h ARG 35 CO -0.01 -0.04 0.61 -0.22 -1.51 0.00 0.00 179.97 178.80 3ira h LYS 36 N -0.23 1.14 -0.01 0.20 3.64 -0.69 -2.07 116.57 118.55 3ira h LYS 36 Ca -0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3ira h LYS 36 Cb 0.19 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3ira h LYS 36 CO 0.03 0.75 -0.43 0.39 -2.27 0.00 0.00 179.45 177.92 3ira n GLU 37 N -4.50 0.68 -3.73 1.90 -0.58 -0.36 -4.96 120.64 109.10 3ira n GLU 37 Ca 0.12 -0.46 -0.25 0.00 -0.42 0.00 0.00 57.16 56.15 3ira n GLU 37 Cb 0.10 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.51 3ira n GLU 37 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3ira n ASN 38 N -0.75 -2.47 -4.49 1.62 5.15 0.12 -5.01 115.26 109.44 3ira n ASN 38 Ca 0.09 -0.92 -0.29 0.00 -0.60 0.00 0.00 54.58 52.87 3ira n ASN 38 Cb 0.37 -3.69 -0.11 0.00 -0.53 0.00 0.00 39.78 35.82 3ira n ASN 38 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ira s LYS 39 N -6.02 1.80 0.75 1.20 1.02 -0.34 -5.03 119.74 113.12 3ira s LYS 39 Ca 0.16 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 3ira s LYS 39 Cb -0.05 -2.12 0.05 0.00 -0.52 0.00 0.00 37.83 35.19 3ira s LYS 39 CO 0.84 0.48 1.11 -1.25 -0.92 0.00 0.00 175.35 175.61 3ira s PRO 40 N -2.15 2.26 -0.22 -1.68 0.04 -1.26 -4.29 135.00 127.70 3ira s PRO 40 Ca 0.18 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 3ira s PRO 40 Cb -0.11 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3ira s PRO 40 CO 0.10 -1.66 0.16 0.08 0.04 0.00 0.00 177.00 175.72 3ira s VAL 41 N -2.66 5.38 -0.34 -0.36 1.01 0.13 -1.76 120.40 121.79 3ira s VAL 41 Ca 0.64 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 3ira s VAL 41 Cb -0.19 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3ira s VAL 41 CO 0.52 0.39 0.23 0.12 0.00 0.00 0.00 175.10 176.36 3ira s PHE 42 N 0.72 3.22 -0.22 5.22 5.36 -0.13 -0.96 117.98 131.19 3ira s PHE 42 Ca 0.08 -0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 55.64 3ira s PHE 42 Cb -0.12 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 3ira s PHE 42 CO 0.01 -0.41 0.05 -1.17 -1.46 0.00 0.00 175.22 172.24 3ira s LEU 43 N 1.69 3.49 -0.15 6.12 2.96 0.10 -0.53 118.68 132.37 3ira s LEU 43 Ca 0.06 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3ira s LEU 43 Cb -0.18 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.61 3ira s LEU 43 CO 0.10 0.04 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.45 3ira s SER 44 N 1.15 3.56 -0.12 3.68 0.15 0.11 -0.73 113.70 121.51 3ira s SER 44 Ca 0.04 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.21 3ira s SER 44 Cb -0.14 -1.54 -0.00 0.00 -1.71 0.00 0.00 66.02 62.62 3ira s SER 44 CO 0.03 0.08 -0.19 -0.63 1.20 0.00 0.00 173.24 173.72 3ira s ILE 45 N 0.85 2.45 0.00 6.45 1.01 0.99 -0.97 121.20 131.99 3ira s ILE 45 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3ira s ILE 45 Cb -0.15 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3ira s ILE 45 CO -0.01 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3ira n GLY 46 N 3.63 2.81 3.56 6.18 0.00 -0.62 -1.30 105.19 119.45 3ira n GLY 46 Ca -0.19 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 3ira n GLY 46 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ira s TYR 47 N -6.16 -0.42 -0.56 1.61 -0.85 -1.26 -0.23 117.35 109.47 3ira s TYR 47 Ca 0.00 0.14 0.22 0.00 -0.52 0.00 0.00 57.07 56.92 3ira s TYR 47 Cb 0.00 0.60 0.93 0.00 0.38 0.00 0.00 41.96 43.87 3ira s TYR 47 CO 0.00 -0.93 1.68 -1.13 -1.52 0.00 0.00 175.55 173.65 3ira n SER 48 N -0.40 0.58 -0.93 -0.18 3.41 -1.26 -2.15 113.62 112.69 3ira n SER 48 Ca -0.13 0.64 0.02 0.00 -0.26 0.00 0.00 58.87 59.14 3ira n SER 48 Cb 0.63 -0.76 0.21 0.00 -0.26 0.00 0.00 64.21 64.03 3ira n SER 48 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ira n THR 49 N -2.14 2.38 -3.27 6.66 -2.24 -1.26 -4.94 114.28 109.48 3ira n THR 49 Ca 0.02 -2.42 -0.44 0.00 -2.27 0.00 0.00 64.05 58.94 3ira n THR 49 Cb 0.23 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 3ira n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ira h HIS 51 N 8.89 -0.19 0.00 0.00 2.76 -1.92 -1.63 115.15 123.06 3ira h HIS 51 Ca -0.28 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 57.91 3ira h HIS 51 Cb 1.10 0.17 -0.00 0.00 1.55 0.00 0.00 27.41 30.23 3ira h HIS 51 CO 0.70 -0.20 -0.14 -1.49 -1.30 0.00 0.00 177.93 175.50 3ira h TRP 52 N 0.04 0.00 -0.47 5.26 4.06 -1.93 -1.27 115.95 121.64 3ira h TRP 52 Ca 0.28 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.13 3ira h TRP 52 Cb 0.44 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 3ira h TRP 52 CO -0.42 0.14 -0.09 0.00 -3.56 0.00 0.00 178.44 174.51 3ira h HIS 54 N 0.74 1.06 -0.32 0.00 3.86 -0.70 -1.46 115.15 118.32 3ira h HIS 54 Ca 0.12 -0.22 0.03 0.00 -1.16 0.00 0.00 60.37 59.14 3ira h HIS 54 Cb 0.63 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 3ira h HIS 54 CO 0.05 1.01 0.13 0.52 0.86 0.00 0.00 177.93 180.49 3ira h MET 55 N 0.84 0.27 -0.33 2.45 2.07 -1.22 -0.26 114.93 118.75 3ira h MET 55 Ca 0.13 -0.02 -0.13 0.00 -2.07 0.00 0.00 59.70 57.61 3ira h MET 55 Cb 0.68 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 3ira h MET 55 CO 0.05 0.18 -0.32 1.98 1.07 0.00 0.00 176.91 179.87 3ira h MET 56 N 0.27 0.71 -0.27 1.72 -1.53 -1.19 0.12 114.93 114.77 3ira h MET 56 Ca 0.14 -0.33 0.00 0.00 -3.44 0.00 0.00 59.70 56.08 3ira h MET 56 Cb 0.09 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 3ira h MET 56 CO -0.13 0.93 0.18 0.00 0.14 0.00 0.00 176.91 178.03 3ira h ALA 57 N 1.05 0.34 -0.51 0.39 0.00 -1.01 0.13 119.26 119.64 3ira h ALA 57 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ira h ALA 57 Cb 0.83 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ira h ALA 57 CO 0.07 -0.19 0.20 1.25 0.00 0.00 0.00 179.25 180.58 3ira h HIS 58 N 0.36 0.77 0.09 0.00 6.17 -0.70 -0.83 115.15 121.01 3ira h HIS 58 Ca 0.10 -0.06 -0.33 0.00 0.71 0.00 0.00 60.37 60.78 3ira h HIS 58 Cb -0.04 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 3ira h HIS 58 CO -0.06 0.65 -1.83 0.93 0.71 0.00 0.00 177.93 178.33 3ira h GLU 59 N 0.68 0.19 0.00 5.26 5.08 -0.90 -3.42 114.58 121.47 3ira h GLU 59 Ca 0.17 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3ira h GLU 59 Cb 0.20 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ira h GLU 59 CO -0.01 0.98 -0.79 0.43 -1.00 0.00 0.00 179.01 178.61 3ira n SER 60 N -3.35 0.88 0.22 1.42 7.64 0.38 -4.43 113.62 116.38 3ira n SER 60 Ca -0.25 0.13 0.09 0.00 1.01 0.00 0.00 58.87 59.85 3ira n SER 60 Cb 1.05 -0.31 0.47 0.00 -1.01 0.00 0.00 64.21 64.41 3ira n SER 60 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3ira h PHE 61 N -0.23 0.00 -0.00 1.43 0.05 -1.32 -1.78 116.94 115.09 3ira h PHE 61 Ca -0.08 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.71 3ira h PHE 61 Cb 0.68 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.63 3ira h PHE 61 CO -0.06 0.26 -0.32 0.39 -0.18 0.00 0.00 178.31 178.40 3ira n GLU 62 N -3.51 0.15 -2.79 1.51 1.02 -0.32 -3.76 120.64 112.94 3ira n GLU 62 Ca -0.00 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 3ira n GLU 62 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3ira n GLU 62 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ira s ASP 63 N -2.90 7.13 0.33 1.62 2.15 -0.67 -4.74 116.67 119.60 3ira s ASP 63 Ca 0.15 1.39 0.02 0.00 0.43 0.00 0.00 52.55 54.54 3ira s ASP 63 Cb 0.18 -2.51 0.56 0.00 -0.30 0.00 0.00 42.92 40.86 3ira s ASP 63 CO 0.62 -0.40 1.89 -0.33 -0.17 0.00 0.00 175.17 176.79 3ira h GLU 64 N 7.14 0.67 0.09 4.34 4.39 -1.89 -1.45 114.58 127.86 3ira h GLU 64 Ca -0.32 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 3ira h GLU 64 Cb 1.15 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3ira h GLU 64 CO 0.84 0.60 -0.04 1.49 -1.16 0.00 0.00 179.01 180.73 3ira h GLU 65 N 0.65 -0.12 -0.29 2.33 4.81 -1.92 -0.28 114.58 119.76 3ira h GLU 65 Ca 0.15 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3ira h GLU 65 Cb 0.23 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 3ira h GLU 65 CO -0.01 0.30 -0.05 0.28 -0.73 0.00 0.00 179.01 178.80 3ira h VAL 66 N -0.58 0.73 -0.61 0.32 2.07 -1.80 -1.73 116.25 114.65 3ira h VAL 66 Ca -0.01 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3ira h VAL 66 Cb 0.48 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ira h VAL 66 CO 0.02 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.02 3ira h ALA 67 N 1.28 0.77 -0.38 1.67 0.00 -1.27 0.99 119.26 122.33 3ira h ALA 67 Ca 0.14 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ira h ALA 67 Cb 0.21 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3ira h ALA 67 CO -0.28 0.21 0.05 0.78 0.00 0.00 0.00 179.25 180.00 3ira h GLY 68 N 0.83 0.42 1.17 0.00 0.00 -0.71 0.19 103.07 104.96 3ira h GLY 68 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 3ira h GLY 68 CO -0.05 -0.05 0.12 1.41 0.00 0.00 0.00 176.54 177.97 3ira h LEU 69 N 0.16 0.98 -0.93 3.11 3.38 -0.64 -1.99 115.31 119.37 3ira h LEU 69 Ca 0.18 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3ira h LEU 69 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ira h LEU 69 CO -0.26 0.96 -0.08 0.24 0.09 0.00 0.00 178.44 179.38 3ira h MET 70 N 0.97 0.69 -0.01 1.13 2.86 -0.04 -1.35 114.93 119.17 3ira h MET 70 Ca 0.20 -0.21 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 3ira h MET 70 Cb 0.39 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3ira h MET 70 CO 0.01 0.76 -0.68 -0.91 1.06 0.00 0.00 176.91 177.15 3ira h ASN 71 N 0.63 0.09 -0.23 1.22 2.35 -0.39 0.21 115.58 119.47 3ira h ASN 71 Ca 0.12 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 3ira h ASN 71 Cb 0.52 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3ira h ASN 71 CO 0.03 0.74 -0.41 -0.33 -1.65 0.00 0.00 177.43 175.81 3ira h GLU 72 N 0.05 0.68 0.12 0.81 5.08 -1.19 -3.37 114.58 116.75 3ira h GLU 72 Ca -0.01 -0.43 -0.28 0.00 -1.00 0.00 0.00 59.36 57.64 3ira h GLU 72 Cb 1.21 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3ira h GLU 72 CO 0.09 1.05 -1.28 0.00 -1.00 0.00 0.00 179.01 177.87 3ira h ALA 73 N 0.63 0.15 -2.29 3.43 0.00 -1.05 -3.49 119.26 116.63 3ira h ALA 73 Ca 0.01 -0.93 -0.28 0.00 0.00 0.00 0.00 54.91 53.71 3ira h ALA 73 Cb 1.01 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 3ira h ALA 73 CO 0.09 1.02 -0.66 -0.06 0.00 0.00 0.00 179.25 179.64 3ira s PHE 74 N -2.65 1.17 -0.23 0.00 0.08 0.04 -4.18 117.98 112.21 3ira s PHE 74 Ca -0.05 -1.04 -0.12 0.00 0.12 0.00 0.00 56.93 55.85 3ira s PHE 74 Cb 0.07 -0.67 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 3ira s PHE 74 CO 0.87 -0.24 0.22 0.08 -0.10 0.00 0.00 175.22 176.06 3ira s VAL 75 N -3.69 5.31 -0.14 -0.44 1.01 -0.72 -4.62 120.40 117.11 3ira s VAL 75 Ca 0.24 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 3ira s VAL 75 Cb 0.06 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3ira s VAL 75 CO 0.04 0.31 -0.01 -0.44 0.00 0.00 0.00 175.10 175.00 3ira s SER 76 N 1.10 5.10 -0.07 3.32 0.01 -1.26 -0.95 113.70 120.95 3ira s SER 76 Ca 0.10 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.39 3ira s SER 76 Cb -0.14 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.36 3ira s SER 76 CO 0.06 0.23 -0.16 -0.63 0.41 0.00 0.00 173.24 173.14 3ira s ILE 77 N 0.03 1.44 -0.16 1.44 1.01 0.32 -0.59 121.20 124.68 3ira s ILE 77 Ca 0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3ira s ILE 77 Cb -0.13 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3ira s ILE 77 CO 0.02 0.42 -0.03 -0.75 0.00 0.00 0.00 174.94 174.60 3ira s LYS 78 N 0.39 3.67 -0.02 2.79 2.47 -0.50 -0.71 119.74 127.82 3ira s LYS 78 Ca -0.12 -0.51 0.06 0.00 -1.56 0.00 0.00 55.97 53.83 3ira s LYS 78 Cb -0.15 -2.95 -0.01 0.00 -1.46 0.00 0.00 37.83 33.26 3ira s LYS 78 CO 0.04 0.21 -0.20 0.08 0.16 0.00 0.00 175.35 175.64 3ira s VAL 79 N 0.46 1.59 -0.32 4.02 1.01 -0.14 -4.10 120.40 122.92 3ira s VAL 79 Ca -0.03 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 3ira s VAL 79 Cb -0.14 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3ira s VAL 79 CO 0.03 0.45 0.30 -0.62 0.00 0.00 0.00 175.10 175.25 3ira s ASP 80 N -0.37 6.12 0.34 3.32 -1.08 -1.26 -1.58 116.67 122.16 3ira s ASP 80 Ca 0.05 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 51.98 3ira s ASP 80 Cb -0.09 -2.17 0.75 0.00 -1.46 0.00 0.00 42.92 39.96 3ira s ASP 80 CO -0.00 -0.23 1.86 -0.09 0.52 0.00 0.00 175.17 177.23 3ira h ARG 81 N 8.41 0.75 0.00 4.34 1.12 -0.91 -0.58 114.38 127.51 3ira h ARG 81 Ca -0.31 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.48 3ira h ARG 81 Cb 1.16 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 30.95 3ira h ARG 81 CO 0.64 0.49 -0.16 0.93 -3.11 0.00 0.00 179.97 178.77 3ira h GLU 82 N 0.77 0.00 0.03 0.20 5.08 -1.94 -2.62 114.58 116.09 3ira h GLU 82 Ca 0.46 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.46 3ira h GLU 82 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 3ira h GLU 82 CO -0.23 0.16 -2.24 0.39 -1.00 0.00 0.00 179.01 176.09 3ira n GLU 83 N -3.42 0.68 -3.25 2.33 1.02 -0.42 -4.63 120.64 112.96 3ira n GLU 83 Ca -0.01 0.16 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 3ira n GLU 83 Cb 0.34 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 3ira n GLU 83 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ira n ARG 84 N -3.17 2.40 0.25 3.49 5.12 -0.36 -4.89 116.66 119.51 3ira n ARG 84 Ca -0.36 -4.47 0.08 0.00 -1.93 0.00 0.00 57.85 51.18 3ira n ARG 84 Cb 1.05 -2.09 0.62 0.00 -1.16 0.00 0.00 32.46 30.88 3ira n ARG 84 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3ira h PRO 85 N 3.76 0.00 -0.55 5.56 0.13 -1.73 -1.59 132.00 137.59 3ira h PRO 85 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3ira h PRO 85 Cb 0.66 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 3ira h PRO 85 CO 0.77 0.12 0.35 0.38 -0.23 0.00 0.00 178.00 179.39 3ira h ASP 86 N 0.00 0.64 -0.37 1.44 2.03 -1.90 -0.73 116.42 117.54 3ira h ASP 86 Ca -0.00 -0.03 -0.14 0.00 -0.73 0.00 0.00 57.03 56.12 3ira h ASP 86 Cb 0.24 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.57 3ira h ASP 86 CO 0.02 0.48 -0.32 0.40 -1.03 0.00 0.00 179.24 178.79 3ira h ILE 87 N 0.74 1.27 -0.62 4.15 2.04 -1.72 -1.96 117.51 121.42 3ira h ILE 87 Ca 0.20 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.60 3ira h ILE 87 Cb -0.06 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3ira h ILE 87 CO -0.04 0.50 0.38 -0.78 0.00 0.00 0.00 178.15 178.21 3ira h ASP 88 N 0.76 0.62 -0.21 1.72 3.58 -1.19 -1.79 116.42 119.91 3ira h ASP 88 Ca 0.08 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.37 3ira h ASP 88 Cb 0.89 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 3ira h ASP 88 CO 0.08 0.43 -0.43 0.78 -2.88 0.00 0.00 179.24 177.22 3ira h ASN 89 N 0.75 0.82 -0.27 2.28 2.35 -0.84 0.13 115.58 120.80 3ira h ASN 89 Ca 0.25 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3ira h ASN 89 Cb 0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3ira h ASN 89 CO -0.10 1.14 0.11 0.40 -1.65 0.00 0.00 177.43 177.33 3ira h ILE 90 N 0.62 0.96 0.00 2.81 2.04 -1.15 -2.23 117.51 120.55 3ira h ILE 90 Ca 0.04 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 3ira h ILE 90 Cb 1.00 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3ira h ILE 90 CO 0.09 0.04 -0.57 1.88 0.00 0.00 0.00 178.15 179.60 3ira h TYR 91 N 0.25 0.00 -0.64 1.37 -1.99 -1.17 -2.76 116.97 112.03 3ira h TYR 91 Ca 0.11 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.77 3ira h TYR 91 Cb 0.06 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 3ira h TYR 91 CO -0.11 0.56 0.12 1.98 -0.00 0.00 0.00 178.16 180.71 3ira h MET 92 N 0.00 1.04 -0.36 4.88 4.05 -0.70 -0.90 114.93 122.94 3ira h MET 92 Ca -0.01 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 3ira h MET 92 Cb 1.44 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.09 3ira h MET 92 CO 0.07 0.95 0.23 1.15 0.23 0.00 0.00 176.91 179.54 3ira h THR 93 N 0.98 1.11 -0.75 -0.77 2.02 -1.24 -0.70 112.91 113.57 3ira h THR 93 Ca 0.20 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.16 3ira h THR 93 Cb 0.40 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3ira h THR 93 CO 0.01 0.11 0.48 0.58 0.37 0.00 0.00 175.52 177.07 3ira h VAL 94 N 0.48 1.13 -0.33 3.16 2.07 -1.25 -0.69 116.25 120.82 3ira h VAL 94 Ca 0.13 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3ira h VAL 94 Cb -0.01 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3ira h VAL 94 CO -0.03 0.17 0.04 0.00 0.02 0.00 0.00 177.57 177.77 3ira h GLN 96 N 0.38 1.05 -0.21 0.00 4.20 -0.77 0.35 115.11 120.11 3ira h GLN 96 Ca 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3ira h GLN 96 Cb 0.38 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3ira h GLN 96 CO 0.01 0.69 0.08 0.82 -0.67 0.00 0.00 178.83 179.76 3ira h ILE 97 N 1.08 1.18 0.04 2.54 2.04 -0.72 0.47 117.51 124.13 3ira h ILE 97 Ca 0.42 -0.55 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3ira h ILE 97 Cb 0.24 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3ira h ILE 97 CO -0.17 0.18 -0.57 0.40 0.00 0.00 0.00 178.15 177.98 3ira h ILE 98 N 0.18 1.49 0.00 -0.67 2.04 -1.03 -3.38 117.51 116.15 3ira h ILE 98 Ca 0.07 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3ira h ILE 98 Cb 0.21 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3ira h ILE 98 CO -0.00 0.62 -1.70 0.18 0.00 0.00 0.00 178.15 177.25 3ira n LEU 99 N -4.26 0.29 -0.13 1.44 4.77 0.12 -4.94 117.00 114.29 3ira n LEU 99 Ca -0.11 -0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 55.70 3ira n LEU 99 Cb 0.68 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 3ira n LEU 99 CO 0.45 0.07 -0.02 0.61 -1.33 0.00 0.00 177.39 177.18 3ira n GLY 100 N 1.33 0.50 3.82 -0.72 0.00 0.15 -4.96 105.19 105.31 3ira n GLY 100 Ca -0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 3ira n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ira s ARG 101 N -1.11 2.12 0.31 1.61 1.70 -1.25 -4.99 118.95 117.33 3ira s ARG 101 Ca 0.00 -1.32 -0.17 0.00 -0.47 0.00 0.00 55.73 53.77 3ira s ARG 101 Cb 0.00 0.62 0.02 0.00 -0.57 0.00 0.00 34.95 35.03 3ira s ARG 101 CO 0.00 -0.99 0.68 0.20 -1.08 0.00 0.00 175.30 174.12 3ira s GLY 102 N -3.03 0.24 0.00 3.88 0.00 -1.26 -3.16 107.32 103.99 3ira s GLY 102 Ca 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3ira s GLY 102 CO 0.10 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.52 3ira n GLY 103 N -0.47 -2.11 3.43 0.20 0.00 -1.26 -5.07 105.19 99.90 3ira n GLY 103 Ca -0.04 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 3ira n GLY 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ira s TRP 104 N -2.52 2.37 0.65 1.61 0.51 -1.26 -3.75 118.94 116.54 3ira s TRP 104 Ca 0.00 -0.34 -0.17 0.00 -2.12 0.00 0.00 56.10 53.46 3ira s TRP 104 Cb 0.00 -1.24 -0.01 0.00 -0.81 0.00 0.00 33.47 31.41 3ira s TRP 104 CO 0.00 0.40 1.22 -1.25 -0.51 0.00 0.00 176.95 176.82 3ira s PRO 105 N -2.29 2.64 -0.27 4.98 0.04 -1.26 -4.57 135.00 134.26 3ira s PRO 105 Ca 0.17 1.85 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 3ira s PRO 105 Cb -0.09 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3ira s PRO 105 CO 0.08 -1.47 0.11 -1.17 0.04 0.00 0.00 177.00 174.59 3ira s LEU 106 N -4.47 3.73 -0.18 -3.56 2.96 -0.42 -3.53 118.68 113.21 3ira s LEU 106 Ca 0.77 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 3ira s LEU 106 Cb -0.31 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.42 3ira s LEU 106 CO 0.38 -0.10 -0.16 0.20 -1.32 0.00 0.00 176.35 175.36 3ira s ASN 107 N 1.62 3.49 -0.07 3.68 0.01 0.92 -0.00 114.94 124.59 3ira s ASN 107 Ca 0.06 -0.55 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 3ira s ASN 107 Cb -0.16 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 39.96 3ira s ASN 107 CO 0.05 0.02 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.90 3ira s ILE 108 N 1.21 1.21 -0.18 0.60 -1.09 0.09 0.07 121.20 123.11 3ira s ILE 108 Ca 0.02 -0.52 -0.06 0.00 -2.23 0.00 0.00 60.65 57.87 3ira s ILE 108 Cb -0.14 -1.11 -0.03 0.00 -1.58 0.00 0.00 42.46 39.60 3ira s ILE 108 CO -0.08 0.37 0.03 -0.63 -1.23 0.00 0.00 174.94 173.40 3ira s ILE 109 N 0.70 4.39 0.08 2.92 1.01 -0.08 0.03 121.20 130.25 3ira s ILE 109 Ca -0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 3ira s ILE 109 Cb -0.16 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3ira s ILE 109 CO 0.03 0.45 -0.01 0.00 0.00 0.00 0.00 174.94 175.42 3ira s MET 110 N 0.55 0.75 0.71 2.79 0.23 -0.13 -1.24 119.30 122.96 3ira s MET 110 Ca 0.01 -1.31 -0.16 0.00 -1.03 0.00 0.00 55.69 53.20 3ira s MET 110 Cb -0.13 0.13 0.03 0.00 -1.53 0.00 0.00 34.83 33.32 3ira s MET 110 CO 0.02 -0.14 1.22 0.99 -2.03 0.00 0.00 175.02 175.09 3ira s THR 111 N -3.89 2.25 0.54 3.16 2.01 -0.25 0.21 115.64 119.66 3ira s THR 111 Ca 0.13 0.13 0.32 0.00 0.31 0.00 0.00 61.69 62.58 3ira s THR 111 Cb 0.07 -2.78 0.49 0.00 0.01 0.00 0.00 72.50 70.29 3ira s THR 111 CO -0.05 -0.06 1.88 -0.65 -0.69 0.00 0.00 174.62 175.05 3ira h PRO 112 N -0.11 0.00 -0.77 4.92 0.11 -1.89 0.17 132.00 134.43 3ira h PRO 112 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ira h PRO 112 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ira h PRO 112 CO 0.50 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 3ira n GLY 113 N -1.71 1.42 2.42 -0.55 0.00 -1.26 -4.81 105.19 100.70 3ira n GLY 113 Ca 0.19 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3ira n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ira n LYS 114 N 0.09 -2.11 -3.64 1.61 5.02 0.59 -5.00 118.16 114.72 3ira n LYS 114 Ca 0.06 0.66 -0.38 0.00 -2.02 0.00 0.00 58.31 56.62 3ira n LYS 114 Cb 0.39 -4.94 -0.11 0.00 -0.02 0.00 0.00 35.03 30.34 3ira n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ira s LYS 115 N -4.98 3.51 0.34 1.97 1.02 -1.25 -4.85 119.74 115.51 3ira s LYS 115 Ca 0.09 -0.61 -0.27 0.00 0.02 0.00 0.00 55.97 55.21 3ira s LYS 115 Cb -0.04 -3.59 -0.09 0.00 -0.52 0.00 0.00 37.83 33.59 3ira s LYS 115 CO 0.11 -0.35 1.08 -1.25 -0.92 0.00 0.00 175.35 174.02 3ira s PRO 116 N 1.66 4.38 0.00 -1.68 0.04 -1.26 -1.09 135.00 137.04 3ira s PRO 116 Ca 0.06 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3ira s PRO 116 Cb -0.17 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3ira s PRO 116 CO 0.07 0.02 0.08 1.97 0.04 0.00 0.00 177.00 179.18 3ira n PHE 117 N 0.53 0.00 -3.77 0.56 -1.74 -0.37 -4.32 117.46 108.35 3ira n PHE 117 Ca 0.02 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.78 3ira n PHE 117 Cb 0.47 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.37 3ira n PHE 117 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 3ira s PHE 118 N -0.06 -0.30 0.03 2.97 5.36 -1.09 -3.99 117.98 120.90 3ira s PHE 118 Ca 0.00 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.69 3ira s PHE 118 Cb 0.00 0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.77 3ira s PHE 118 CO 0.00 -0.22 -0.05 0.00 -1.46 0.00 0.00 175.22 173.49 3ira s ALA 119 N -0.19 0.36 0.14 11.12 0.00 -1.26 -0.90 121.76 131.02 3ira s ALA 119 Ca -0.03 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.11 3ira s ALA 119 Cb -0.03 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.21 3ira s ALA 119 CO 0.01 -0.07 0.48 0.20 0.00 0.00 0.00 175.76 176.38 3ira s GLY 120 N -1.38 -0.41 0.00 0.00 0.00 0.11 -4.99 107.32 100.65 3ira s GLY 120 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.77 3ira s GLY 120 CO -0.00 -0.12 0.00 -1.30 0.00 0.00 0.00 173.10 171.67 3ira n THR 121 N -0.28 0.00 -1.64 0.90 -2.24 -1.26 -0.06 114.28 109.71 3ira n THR 121 Ca -0.16 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.13 3ira n THR 121 Cb 0.64 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.82 3ira n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ira n TYR 122 N 0.00 1.99 -3.99 4.78 9.36 -1.23 -4.54 117.16 123.52 3ira n TYR 122 Ca 0.00 0.40 -0.30 0.00 3.32 0.00 0.00 57.90 61.32 3ira n TYR 122 Cb 0.00 -2.47 -0.16 0.00 -0.63 0.00 0.00 39.34 36.08 3ira n TYR 122 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3ira s ILE 123 N 1.00 1.48 0.90 2.97 1.01 -1.26 -5.07 121.20 122.23 3ira s ILE 123 Ca 0.82 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 3ira s ILE 123 Cb -0.79 -1.44 0.13 0.00 0.01 0.00 0.00 42.46 40.36 3ira s ILE 123 CO 0.43 0.38 1.11 -2.16 0.00 0.00 0.00 174.94 174.70 3ira s PRO 124 N 1.51 1.22 0.06 2.79 0.04 -1.26 -4.73 135.00 134.63 3ira s PRO 124 Ca 0.04 0.54 -0.18 0.00 0.04 0.00 0.00 61.00 61.44 3ira s PRO 124 Cb -0.13 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 3ira s PRO 124 CO -0.10 -2.20 1.34 -0.22 0.04 0.00 0.00 177.00 175.86 3ira h LYS 125 N -1.51 0.52 -6.02 4.56 3.64 -1.93 0.29 116.57 116.12 3ira h LYS 125 Ca -0.50 -0.31 -0.65 0.00 -1.27 0.00 0.00 60.65 57.91 3ira h LYS 125 Cb 1.31 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 3ira h LYS 125 CO 0.59 0.91 -0.58 -0.80 -2.27 0.00 0.00 179.45 177.30 3ira s ASN 126 N -6.42 5.63 0.33 4.20 0.01 -1.26 -1.65 114.94 115.79 3ira s ASN 126 Ca -0.13 0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.86 3ira s ASN 126 Cb 0.06 -1.60 -0.10 0.00 0.41 0.00 0.00 41.25 40.02 3ira s ASN 126 CO 0.80 0.27 1.30 -0.89 -1.51 0.00 0.00 177.10 177.06 3ira s THR 127 N -1.19 2.75 0.37 1.60 2.01 -1.26 -4.33 115.64 115.58 3ira s THR 127 Ca 0.23 0.75 0.04 0.00 0.31 0.00 0.00 61.69 63.02 3ira s THR 127 Cb -0.12 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 3ira s THR 127 CO 0.14 0.18 0.05 -0.13 -0.69 0.00 0.00 174.62 174.17 3ira s ARG 128 N -1.81 1.79 -0.20 4.92 0.52 0.14 -4.86 118.95 119.46 3ira s ARG 128 Ca 0.49 -2.03 -0.38 0.00 -0.52 0.00 0.00 55.73 53.30 3ira s ARG 128 Cb -0.39 -1.03 -0.14 0.00 0.52 0.00 0.00 34.95 33.91 3ira s ARG 128 CO 0.52 -0.22 1.79 0.34 0.02 0.00 0.00 175.30 177.76 3ira n PHE 129 N -0.82 2.16 -2.13 -0.53 -0.00 -1.26 -0.83 117.46 114.05 3ira n PHE 129 Ca -0.05 0.33 -0.20 0.00 -0.00 0.00 0.00 57.45 57.54 3ira n PHE 129 Cb 0.66 -2.54 -0.03 0.00 -0.00 0.00 0.00 39.48 37.57 3ira n PHE 129 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3ira n ASN 130 N 5.81 -5.47 -3.29 -2.13 5.15 -1.26 -4.92 115.26 109.15 3ira n ASN 130 Ca 0.25 0.17 -0.08 0.00 -0.60 0.00 0.00 54.58 54.32 3ira n ASN 130 Cb 0.19 -4.66 -0.05 0.00 -0.53 0.00 0.00 39.78 34.73 3ira n ASN 130 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3ira s GLN 131 N -4.58 0.51 0.55 1.20 0.74 -0.01 -5.14 119.66 112.92 3ira s GLN 131 Ca 0.00 -0.02 -0.21 0.00 0.05 0.00 0.00 55.36 55.17 3ira s GLN 131 Cb 0.00 -0.27 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 3ira s GLN 131 CO 0.00 -1.08 1.31 -1.50 -0.55 0.00 0.00 175.29 173.47 3ira s ILE 132 N 2.33 2.26 0.37 -2.34 2.07 -1.26 -0.68 121.20 123.95 3ira s ILE 132 Ca 0.11 0.19 0.07 0.00 -1.41 0.00 0.00 60.65 59.62 3ira s ILE 132 Cb -0.12 -3.09 -0.01 0.00 0.13 0.00 0.00 42.46 39.37 3ira s ILE 132 CO -0.23 -0.01 0.42 -0.83 -1.91 0.00 0.00 174.94 172.38 3ira s GLY 133 N -1.10 1.85 0.27 1.50 0.00 -1.26 -4.50 107.32 104.08 3ira s GLY 133 Ca 0.72 -1.66 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 3ira s GLY 133 CO 0.44 -1.53 1.93 -0.33 0.00 0.00 0.00 173.10 173.61 3ira h MET 134 N 0.96 1.17 -0.14 2.90 0.00 -0.31 0.64 114.93 120.16 3ira h MET 134 Ca -0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 59.70 59.17 3ira h MET 134 Cb 1.26 -0.25 -0.01 0.00 0.00 0.00 0.00 31.60 32.60 3ira h MET 134 CO 0.54 0.81 0.07 -0.07 0.00 0.00 0.00 176.91 178.25 3ira h LEU 135 N 1.20 0.17 0.03 1.22 3.38 -1.59 -2.57 115.31 117.16 3ira h LEU 135 Ca 0.32 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.94 3ira h LEU 135 Cb -0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3ira h LEU 135 CO -0.06 0.14 -2.05 1.21 0.09 0.00 0.00 178.44 177.78 3ira n GLU 136 N -4.49 0.68 0.08 1.13 2.13 -1.01 -4.40 120.64 114.76 3ira n GLU 136 Ca -0.01 0.20 -0.13 0.00 0.66 0.00 0.00 57.16 57.88 3ira n GLU 136 Cb 0.10 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 30.05 3ira n GLU 136 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3ira h LEU 137 N 0.02 -0.15 -0.22 4.31 5.85 -0.52 -2.96 115.31 121.65 3ira h LEU 137 Ca -0.42 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 3ira h LEU 137 Cb 2.05 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 3ira h LEU 137 CO 0.05 0.07 0.12 0.58 -0.34 0.00 0.00 178.44 178.92 3ira h VAL 138 N -0.36 1.10 -0.47 1.05 2.07 -1.70 0.06 116.25 118.02 3ira h VAL 138 Ca -0.02 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3ira h VAL 138 Cb 0.29 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3ira h VAL 138 CO 0.03 0.10 0.04 -0.65 0.02 0.00 0.00 177.57 177.10 3ira h PRO 139 N 0.25 0.74 -0.47 1.57 0.11 -1.77 -1.48 132.00 130.95 3ira h PRO 139 Ca 0.08 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 66.02 3ira h PRO 139 Cb 0.05 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3ira h PRO 139 CO -0.01 0.73 0.30 -0.09 -0.21 0.00 0.00 178.00 178.72 3ira h ARG 140 N 0.70 0.60 -0.65 1.05 9.65 -1.26 -1.07 114.38 123.40 3ira h ARG 140 Ca 0.15 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 3ira h ARG 140 Cb 0.38 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3ira h ARG 140 CO 0.01 0.40 0.13 0.82 2.80 0.00 0.00 179.97 184.12 3ira h ILE 141 N 0.62 1.26 -0.63 1.20 1.08 -0.77 -0.97 117.51 119.30 3ira h ILE 141 Ca 0.18 -0.99 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 3ira h ILE 141 Cb -0.04 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 3ira h ILE 141 CO -0.05 0.37 0.35 0.50 -0.69 0.00 0.00 178.15 178.63 3ira h LYS 142 N 0.99 0.88 -0.42 2.37 3.64 -0.81 -0.76 116.57 122.45 3ira h LYS 142 Ca 0.20 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3ira h LYS 142 Cb 0.41 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3ira h LYS 142 CO 0.01 0.66 -0.13 1.49 -2.27 0.00 0.00 179.45 179.20 3ira h GLU 143 N 0.86 0.84 -0.44 1.90 4.81 -0.99 -1.50 114.58 120.05 3ira h GLU 143 Ca 0.22 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ira h GLU 143 Cb 0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3ira h GLU 143 CO -0.04 0.97 0.28 0.82 -0.73 0.00 0.00 179.01 180.31 3ira h ILE 144 N 0.66 1.12 -0.99 2.32 2.04 -0.84 0.30 117.51 122.12 3ira h ILE 144 Ca 0.10 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.79 3ira h ILE 144 Cb 0.68 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3ira h ILE 144 CO 0.05 0.12 0.64 -0.25 0.00 0.00 0.00 178.15 178.71 3ira h TRP 145 N 0.59 1.17 0.12 1.37 2.91 -0.95 0.82 115.95 121.98 3ira h TRP 145 Ca 0.16 0.03 -0.30 0.00 1.13 0.00 0.00 58.89 59.91 3ira h TRP 145 Cb -0.04 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 28.22 3ira h TRP 145 CO -0.04 0.58 -1.50 0.93 -1.03 0.00 0.00 178.44 177.38 3ira h GLU 146 N 1.12 0.24 0.00 2.65 5.08 -0.88 -3.31 114.58 119.49 3ira h GLU 146 Ca 0.44 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ira h GLU 146 Cb 0.24 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3ira h GLU 146 CO -0.19 1.11 -1.32 1.04 -1.00 0.00 0.00 179.01 178.65 3ira n GLN 147 N -3.45 1.08 -2.63 2.33 6.02 0.10 -4.54 117.38 116.28 3ira n GLN 147 Ca -0.15 -0.09 -0.19 0.00 -0.01 0.00 0.00 57.00 56.56 3ira n GLN 147 Cb 1.04 -1.30 0.01 0.00 1.02 0.00 0.00 30.24 31.01 3ira n GLN 147 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ira n GLN 148 N -1.78 2.29 -0.27 -1.09 6.02 0.28 -4.91 117.38 117.93 3ira n GLN 148 Ca -0.01 -3.93 -0.06 0.00 -0.01 0.00 0.00 57.00 52.99 3ira n GLN 148 Cb 0.34 -1.79 0.05 0.00 1.02 0.00 0.00 30.24 29.86 3ira n GLN 148 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3ira h HIS 149 N 2.81 1.12 -0.38 1.08 2.76 -1.64 -1.57 115.15 119.33 3ira h HIS 149 Ca 0.11 -0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 3ira h HIS 149 Cb 1.01 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 3ira h HIS 149 CO 0.66 0.86 -0.08 1.49 -1.30 0.00 0.00 177.93 179.57 3ira h GLU 150 N 1.06 0.65 -0.77 5.26 4.57 -1.91 -0.54 114.58 122.90 3ira h GLU 150 Ca 0.25 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 3ira h GLU 150 Cb 0.21 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3ira h GLU 150 CO -0.02 0.72 0.28 1.49 -1.18 0.00 0.00 179.01 180.29 3ira h GLU 151 N 0.60 1.17 -0.00 1.92 4.57 -1.79 -0.94 114.58 120.11 3ira h GLU 151 Ca 0.11 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3ira h GLU 151 Cb 0.49 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3ira h GLU 151 CO 0.03 0.97 0.00 0.28 -1.18 0.00 0.00 179.01 179.10 3ira h VAL 152 N 1.13 1.08 -0.82 0.32 2.07 -0.53 -0.42 116.25 119.08 3ira h VAL 152 Ca 0.25 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3ira h VAL 152 Cb 0.26 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3ira h VAL 152 CO -0.01 0.06 0.44 -0.07 0.02 0.00 0.00 177.57 178.01 3ira h LEU 153 N -0.10 1.03 -0.31 2.57 3.38 -0.92 0.08 115.31 121.04 3ira h LEU 153 Ca 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ira h LEU 153 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ira h LEU 153 CO -0.00 0.83 0.08 -0.78 0.09 0.00 0.00 178.44 178.66 3ira h ASP 154 N 1.15 0.46 -0.68 -0.43 3.58 -0.97 -0.32 116.42 119.21 3ira h ASP 154 Ca 0.29 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3ira h ASP 154 Cb 0.04 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3ira h ASP 154 CO -0.05 0.57 0.37 -1.28 -2.88 0.00 0.00 179.24 175.97 3ira h SER 155 N 0.33 0.86 -0.61 2.28 0.87 -0.60 -1.93 113.55 114.75 3ira h SER 155 Ca 0.10 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 3ira h SER 155 Cb 0.28 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3ira h SER 155 CO 0.00 0.72 -0.01 0.00 -0.53 0.00 0.00 176.83 177.01 3ira h ALA 156 N 1.18 0.83 -0.17 6.23 0.00 -0.88 0.17 119.26 126.61 3ira h ALA 156 Ca 0.24 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3ira h ALA 156 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ira h ALA 156 CO -0.04 0.68 -0.28 1.49 0.00 0.00 0.00 179.25 181.10 3ira h GLU 157 N 0.99 0.33 -0.28 0.00 4.57 -0.82 -3.26 114.58 116.11 3ira h GLU 157 Ca 0.17 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3ira h GLU 157 Cb 0.58 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3ira h GLU 157 CO 0.03 0.59 0.00 1.63 -1.18 0.00 0.00 179.01 180.08 3ira n LYS 158 N -4.12 2.86 -4.09 1.92 5.02 -0.75 -4.99 118.16 114.01 3ira n LYS 158 Ca -0.01 -2.11 -0.28 0.00 -2.02 0.00 0.00 58.31 53.89 3ira n LYS 158 Cb 0.40 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 3ira n LYS 158 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3ira n ILE 159 N 0.18 -2.23 -2.38 -0.18 3.06 0.51 -4.97 119.36 113.36 3ira n ILE 159 Ca 0.12 -0.44 -0.25 0.00 -2.50 0.00 0.00 62.75 59.67 3ira n ILE 159 Cb 0.48 -2.05 0.05 0.00 0.54 0.00 0.00 39.64 38.66 3ira n ILE 159 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3ira s THR 160 N -4.01 2.86 -1.23 9.51 -4.23 -0.73 -4.93 115.64 112.87 3ira s THR 160 Ca 0.09 -0.27 0.19 0.00 -1.18 0.00 0.00 61.69 60.52 3ira s THR 160 Cb -0.05 -3.17 0.71 0.00 1.34 0.00 0.00 72.50 71.34 3ira s THR 160 CO 0.93 -0.16 1.62 -1.20 -0.54 0.00 0.00 174.62 175.26 3ira n SER 161 N -2.67 4.66 -0.28 3.99 7.64 -1.26 -4.65 113.62 121.03 3ira n SER 161 Ca 0.07 -2.39 -0.06 0.00 1.01 0.00 0.00 58.87 57.49 3ira n SER 161 Cb 0.59 -0.57 0.06 0.00 -1.01 0.00 0.00 64.21 63.29 3ira n SER 161 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3ira h THR 162 N 4.09 1.26 -0.18 0.44 1.35 -1.95 0.12 112.91 118.04 3ira h THR 162 Ca 0.00 -0.84 -0.10 0.00 -0.55 0.00 0.00 66.41 64.92 3ira h THR 162 Cb 1.39 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3ira h THR 162 CO 0.20 0.34 -0.28 0.40 -0.25 0.00 0.00 175.52 175.94 3ira h ILE 163 N 1.14 1.34 -0.68 6.82 1.08 -1.83 -0.84 117.51 124.54 3ira h ILE 163 Ca 0.26 -1.50 0.14 0.00 -0.39 0.00 0.00 64.86 63.38 3ira h ILE 163 Cb 0.24 1.88 -0.11 0.00 -3.07 0.00 0.00 36.82 35.76 3ira h ILE 163 CO -0.02 0.45 0.11 -0.61 -0.69 0.00 0.00 178.15 177.40 3ira h GLN 164 N 0.16 0.21 -0.42 2.37 5.75 -1.60 -1.94 115.11 119.63 3ira h GLN 164 Ca 0.02 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 3ira h GLN 164 Cb 0.85 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 3ira h GLN 164 CO 0.06 0.14 -0.30 0.93 -2.65 0.00 0.00 178.83 177.01 3ira h GLU 165 N 0.21 0.95 -0.55 1.69 4.39 -0.69 -0.35 114.58 120.24 3ira h GLU 165 Ca 0.37 -0.46 0.10 0.00 0.34 0.00 0.00 59.36 59.71 3ira h GLU 165 Cb 0.62 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 3ira h GLU 165 CO -0.51 1.12 0.13 0.52 -1.16 0.00 0.00 179.01 179.11 3ira h MET 166 N 0.79 0.26 -0.28 2.33 2.86 -0.70 -0.10 114.93 120.09 3ira h MET 166 Ca 0.08 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 3ira h MET 166 Cb 0.89 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3ira h MET 166 CO 0.08 0.17 -0.16 0.82 1.06 0.00 0.00 176.91 178.88 3ira h ILE 167 N 0.27 1.30 -0.48 -1.22 5.03 -1.16 -1.63 117.51 119.62 3ira h ILE 167 Ca 0.28 -1.28 0.09 0.00 -0.12 0.00 0.00 64.86 63.84 3ira h ILE 167 Cb 0.39 1.53 -0.08 0.00 -3.03 0.00 0.00 36.82 35.63 3ira h ILE 167 CO -0.35 0.40 -0.01 0.50 -0.68 0.00 0.00 178.15 178.02 3ira h LYS 168 N 0.33 0.11 -0.33 2.37 3.64 -0.68 -1.97 116.57 120.04 3ira h LYS 168 Ca 0.06 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3ira h LYS 168 Cb 0.69 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3ira h LYS 168 CO 0.05 0.07 -0.03 0.93 -2.27 0.00 0.00 179.45 178.20 3ira h GLU 169 N 0.11 0.52 -0.78 1.90 5.08 -0.86 -3.22 114.58 117.33 3ira h GLU 169 Ca 0.24 -0.12 0.33 0.00 -1.00 0.00 0.00 59.36 58.81 3ira h GLU 169 Cb 0.36 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.40 3ira h GLU 169 CO -0.40 0.57 0.42 0.43 -1.00 0.00 0.00 179.01 179.03 3ira n SER 170 N -4.26 0.27 0.00 1.42 7.64 -0.63 -5.11 113.62 112.95 3ira n SER 170 Ca 0.01 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.18 3ira n SER 170 Cb 0.26 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3ira n SER 170 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83