#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig3 s GLU 22 N 0.00 0.69 -0.40 0.03 2.02 -1.26 -4.41 118.70 115.37 1ig3 s GLU 22 Ca 0.00 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.12 1ig3 s GLU 22 Cb 0.00 -0.60 0.01 0.00 0.10 0.00 0.00 34.13 33.64 1ig3 s GLU 22 CO 0.00 0.14 0.30 -1.58 0.02 0.00 0.00 175.26 174.13 1ig3 s HIS 23 N -1.05 3.23 0.11 1.61 5.65 -0.54 -4.96 115.29 119.35 1ig3 s HIS 23 Ca -0.04 -0.50 -0.23 0.00 0.25 0.00 0.00 55.06 54.54 1ig3 s HIS 23 Cb -0.08 -2.59 -0.07 0.00 -1.18 0.00 0.00 32.58 28.66 1ig3 s HIS 23 CO 0.01 -0.55 0.70 0.00 -0.65 0.00 0.00 174.74 174.25 1ig3 s ALA 24 N 1.72 3.48 -0.16 1.58 0.00 -1.26 -1.05 121.76 126.06 1ig3 s ALA 24 Ca 0.06 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 1ig3 s ALA 24 Cb -0.19 -2.86 0.07 0.00 0.00 0.00 0.00 23.12 20.15 1ig3 s ALA 24 CO 0.10 0.28 0.70 0.12 0.00 0.00 0.00 175.76 176.97 1ig3 s PHE 25 N -0.91 -0.72 -0.48 0.00 5.99 -0.10 -4.95 117.98 116.82 1ig3 s PHE 25 Ca 0.34 1.51 0.04 0.00 0.00 0.00 0.00 56.93 58.81 1ig3 s PHE 25 Cb -0.21 0.34 0.13 0.00 0.00 0.00 0.00 43.02 43.27 1ig3 s PHE 25 CO 0.23 -0.50 0.22 0.99 -0.00 0.00 0.00 175.22 176.17 1ig3 s THR 26 N -0.43 2.38 0.24 0.12 2.01 -1.26 -0.66 115.64 118.04 1ig3 s THR 26 Ca -0.06 -3.05 -0.07 0.00 0.31 0.00 0.00 61.69 58.82 1ig3 s THR 26 Cb -0.02 -2.67 0.28 0.00 0.01 0.00 0.00 72.50 70.09 1ig3 s THR 26 CO 0.06 -0.78 1.64 -0.65 -0.69 0.00 0.00 174.62 174.20 1ig3 h PRO 27 N 6.73 0.10 -0.23 4.92 0.11 -1.97 -2.48 132.00 139.17 1ig3 h PRO 27 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ig3 h PRO 27 Cb 0.92 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ig3 h PRO 27 CO 0.64 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.77 1ig3 n LEU 28 N -5.35 2.11 -0.31 2.35 4.77 -1.26 -4.45 117.00 114.86 1ig3 n LEU 28 Ca 0.13 -0.90 0.14 0.00 -0.03 0.00 0.00 56.01 55.35 1ig3 n LEU 28 Cb 0.47 -0.15 0.32 0.00 -2.33 0.00 0.00 43.42 41.73 1ig3 n LEU 28 CO 0.05 0.45 1.07 -0.08 -1.33 0.00 0.00 177.39 177.55 1ig3 h GLU 29 N 2.76 0.43 0.00 3.23 4.81 -1.82 0.21 114.58 124.20 1ig3 h GLU 29 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ig3 h GLU 29 Cb 0.61 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ig3 h GLU 29 CO 0.00 0.29 0.00 -1.35 -0.73 0.00 0.00 179.01 177.22 1ig3 h PRO 30 N 0.45 0.00 0.00 0.92 0.11 -1.82 -2.00 132.00 129.65 1ig3 h PRO 30 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1ig3 h PRO 30 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ig3 h PRO 30 CO -0.51 0.00 -0.13 1.28 -0.21 0.00 0.00 178.00 178.43 1ig3 n LEU 31 N -2.96 0.73 -4.77 2.35 4.77 0.74 -4.86 117.00 113.00 1ig3 n LEU 31 Ca -0.02 0.49 -0.39 0.00 -0.03 0.00 0.00 56.01 56.06 1ig3 n LEU 31 Cb 0.13 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1ig3 n LEU 31 CO 0.21 -0.14 0.84 -0.76 -1.33 0.00 0.00 177.39 176.21 1ig3 s LEU 32 N -4.33 4.32 0.35 2.23 1.43 -0.75 -4.92 118.68 117.00 1ig3 s LEU 32 Ca 0.10 2.35 0.09 0.00 -1.03 0.00 0.00 54.13 55.64 1ig3 s LEU 32 Cb 0.13 -3.88 0.67 0.00 0.03 0.00 0.00 46.19 43.14 1ig3 s LEU 32 CO 0.62 -0.50 1.83 -0.65 0.23 0.00 0.00 176.35 177.88 1ig3 h PRO 33 N 3.04 0.19 -6.33 1.29 0.11 -1.89 -3.44 132.00 124.98 1ig3 h PRO 33 Ca -0.48 -0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.04 1ig3 h PRO 33 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1ig3 h PRO 33 CO 0.64 0.45 -0.25 0.95 -0.21 0.00 0.00 178.00 179.58 1ig3 s THR 34 N -4.44 5.13 0.00 -1.15 -4.23 -1.26 -5.07 115.64 104.62 1ig3 s THR 34 Ca -0.05 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1ig3 s THR 34 Cb 0.15 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1ig3 s THR 34 CO 0.74 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1ig3 n GLY 35 N -0.74 3.66 1.83 3.99 0.00 -1.26 -4.92 105.19 107.74 1ig3 n GLY 35 Ca -0.03 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 1ig3 n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ig3 n ASN 36 N 0.00 4.47 -4.71 1.61 5.03 -1.26 -5.06 115.26 115.34 1ig3 n ASN 36 Ca 0.00 -3.76 -0.42 0.00 0.87 0.00 0.00 54.58 51.27 1ig3 n ASN 36 Cb 0.00 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.36 1ig3 n ASN 36 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ig3 s LEU 37 N -3.55 4.36 -0.38 3.41 2.96 -1.26 -5.01 118.68 119.21 1ig3 s LEU 37 Ca 0.49 1.85 -0.20 0.00 -0.22 0.00 0.00 54.13 56.05 1ig3 s LEU 37 Cb 0.40 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.53 1ig3 s LEU 37 CO 0.02 -0.40 0.59 -0.54 -1.32 0.00 0.00 176.35 174.70 1ig3 s LYS 38 N 1.19 3.54 0.02 1.98 1.02 -1.26 -4.93 119.74 121.30 1ig3 s LYS 38 Ca 0.56 -0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.31 1ig3 s LYS 38 Cb -0.25 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.21 1ig3 s LYS 38 CO 0.28 -0.78 0.17 1.52 -0.92 0.00 0.00 175.35 175.61 1ig3 s TYR 39 N 2.62 0.05 0.11 3.18 -0.85 -1.26 0.08 117.35 121.28 1ig3 s TYR 39 Ca 0.22 -0.22 0.03 0.00 -0.52 0.00 0.00 57.07 56.58 1ig3 s TYR 39 Cb -0.15 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1ig3 s TYR 39 CO 0.15 -0.37 0.15 0.00 -1.52 0.00 0.00 175.55 173.96 1ig3 s LEU 41 N -2.73 2.38 -0.17 0.00 2.96 -0.09 -0.61 118.68 120.43 1ig3 s LEU 41 Ca 0.32 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1ig3 s LEU 41 Cb -0.12 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1ig3 s LEU 41 CO 0.24 0.10 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.54 1ig3 s VAL 42 N 0.69 2.67 -0.32 1.68 1.01 0.20 -0.60 120.40 125.74 1ig3 s VAL 42 Ca -0.08 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1ig3 s VAL 42 Cb -0.16 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1ig3 s VAL 42 CO 0.02 0.51 0.16 -0.69 0.00 0.00 0.00 175.10 175.10 1ig3 s VAL 43 N 0.94 4.67 0.70 2.92 1.01 -0.21 -0.09 120.40 130.34 1ig3 s VAL 43 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1ig3 s VAL 43 Cb -0.15 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1ig3 s VAL 43 CO -0.02 0.04 0.97 -0.76 0.00 0.00 0.00 175.10 175.33 1ig3 s LEU 44 N 1.62 3.00 -0.93 3.92 1.43 -0.31 -1.47 118.68 125.96 1ig3 s LEU 44 Ca 0.05 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1ig3 s LEU 44 Cb -0.17 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 1ig3 s LEU 44 CO 0.07 -1.74 2.07 -3.20 0.23 0.00 0.00 176.35 173.77 1ig3 n ASN 45 N -2.80 3.84 -3.80 2.29 5.15 -1.26 -4.03 115.26 114.65 1ig3 n ASN 45 Ca 0.13 -2.55 -0.10 0.00 -0.60 0.00 0.00 54.58 51.45 1ig3 n ASN 45 Cb 0.60 -1.18 -0.07 0.00 -0.53 0.00 0.00 39.78 38.60 1ig3 n ASN 45 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ig3 s GLN 46 N 4.09 0.80 0.58 1.20 -1.52 -1.26 -4.88 119.66 118.68 1ig3 s GLN 46 Ca 0.50 -0.68 -0.20 0.00 -1.95 0.00 0.00 55.36 53.03 1ig3 s GLN 46 Cb 0.13 0.34 -0.03 0.00 -0.22 0.00 0.00 33.01 33.22 1ig3 s GLN 46 CO 0.03 -0.25 1.30 -2.14 -0.25 0.00 0.00 175.29 173.98 1ig3 s PRO 47 N -2.99 2.94 0.12 2.91 0.02 -1.26 -4.89 135.00 131.85 1ig3 s PRO 47 Ca -0.02 2.09 -0.23 0.00 0.02 0.00 0.00 61.00 62.87 1ig3 s PRO 47 Cb 0.01 -2.07 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1ig3 s PRO 47 CO -0.06 -1.31 0.69 -0.51 -0.33 0.00 0.00 177.00 175.48 1ig3 s LEU 48 N -3.88 4.57 0.60 -5.54 2.01 -1.26 -4.89 118.68 110.28 1ig3 s LEU 48 Ca 0.76 1.48 -0.09 0.00 0.01 0.00 0.00 54.13 56.29 1ig3 s LEU 48 Cb -0.37 -3.12 -0.02 0.00 0.01 0.00 0.00 46.19 42.69 1ig3 s LEU 48 CO 0.42 0.24 0.96 -1.81 1.01 0.00 0.00 176.35 177.17 1ig3 s ASP 49 N -1.13 5.91 0.54 2.29 1.01 -1.26 -4.94 116.67 119.10 1ig3 s ASP 49 Ca 0.33 1.08 0.32 0.00 0.71 0.00 0.00 52.55 54.99 1ig3 s ASP 49 Cb -0.22 -2.12 1.49 0.00 1.01 0.00 0.00 42.92 43.08 1ig3 s ASP 49 CO 0.23 -0.95 1.88 0.00 0.21 0.00 0.00 175.17 176.53 1ig3 h ALA 50 N -0.24 2.83 0.00 5.23 0.00 -1.98 0.74 119.26 125.85 1ig3 h ALA 50 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ig3 h ALA 50 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ig3 h ALA 50 CO 0.62 -1.12 0.00 2.89 0.00 0.00 0.00 179.25 181.64 1ig3 n ARG 51 N -4.21 0.03 0.09 0.00 1.85 -1.26 -3.92 116.66 109.23 1ig3 n ARG 51 Ca 0.18 0.25 -0.13 0.00 -1.00 0.00 0.00 57.85 57.16 1ig3 n ARG 51 Cb 0.97 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.82 1ig3 n ARG 51 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1ig3 h PHE 52 N 0.00 -0.98 -0.45 2.89 3.57 -1.21 -2.57 116.94 118.19 1ig3 h PHE 52 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1ig3 h PHE 52 Cb 0.21 0.43 -0.09 0.00 2.79 0.00 0.00 35.95 39.29 1ig3 h PHE 52 CO 0.00 -0.45 -0.19 -0.09 -2.23 0.00 0.00 178.31 175.35 1ig3 h ARG 53 N -0.55 -0.09 -0.54 1.11 2.43 -1.81 -0.33 114.38 114.60 1ig3 h ARG 53 Ca 0.04 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1ig3 h ARG 53 Cb 0.61 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1ig3 h ARG 53 CO -0.25 -0.06 0.20 1.25 -1.51 0.00 0.00 179.97 179.60 1ig3 h HIS 54 N -0.10 0.84 -0.88 2.20 2.76 -1.82 -1.92 115.15 116.23 1ig3 h HIS 54 Ca 0.22 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1ig3 h HIS 54 Cb 0.43 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 1ig3 h HIS 54 CO -0.45 0.70 0.47 -0.07 -1.30 0.00 0.00 177.93 177.28 1ig3 h LEU 55 N 0.74 1.11 -0.40 0.26 3.38 -0.96 -2.74 115.31 116.70 1ig3 h LEU 55 Ca 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1ig3 h LEU 55 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ig3 h LEU 55 CO -0.01 0.90 0.05 -0.25 0.09 0.00 0.00 178.44 179.22 1ig3 h TRP 56 N 1.24 0.73 -0.34 1.13 2.91 -0.89 -2.75 115.95 117.98 1ig3 h TRP 56 Ca 0.31 -0.11 0.06 0.00 1.13 0.00 0.00 58.89 60.28 1ig3 h TRP 56 Cb 0.04 -0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.44 1ig3 h TRP 56 CO 0.01 0.72 -0.03 -0.22 -1.03 0.00 0.00 178.44 177.90 1ig3 h LYS 57 N 0.52 0.06 -0.49 2.65 3.64 -1.06 -2.84 116.57 119.06 1ig3 h LYS 57 Ca 0.12 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1ig3 h LYS 57 Cb 0.40 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ig3 h LYS 57 CO 0.01 0.04 0.00 1.63 -2.27 0.00 0.00 179.45 178.86 1ig3 n LYS 58 N -5.21 2.25 -2.49 1.90 5.02 -1.08 -4.93 118.16 113.62 1ig3 n LYS 58 Ca 0.01 -1.93 -0.37 0.00 -2.02 0.00 0.00 58.31 54.00 1ig3 n LYS 58 Cb 0.18 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1ig3 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ig3 s ALA 59 N -1.36 3.10 0.18 7.82 0.00 -1.04 -4.76 121.76 125.71 1ig3 s ALA 59 Ca 0.37 0.76 0.11 0.00 0.00 0.00 0.00 51.96 53.20 1ig3 s ALA 59 Cb 0.20 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 20.23 1ig3 s ALA 59 CO 0.26 -0.28 1.52 1.25 0.00 0.00 0.00 175.76 178.51 1ig3 h LEU 60 N 2.56 0.00 -7.00 0.00 6.46 -1.17 -3.45 115.31 112.70 1ig3 h LEU 60 Ca -0.48 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.25 1ig3 h LEU 60 Cb 1.22 0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 40.94 1ig3 h LEU 60 CO 0.62 0.69 0.11 -0.22 -0.62 0.00 0.00 178.44 179.03 1ig3 s LEU 61 N -7.17 -0.78 0.03 2.25 0.20 -1.26 -5.04 118.68 106.91 1ig3 s LEU 61 Ca -0.00 1.45 0.08 0.00 0.69 0.00 0.00 54.13 56.35 1ig3 s LEU 61 Cb 0.11 2.44 -0.02 0.00 -0.43 0.00 0.00 46.19 48.29 1ig3 s LEU 61 CO 0.77 -0.25 -0.23 -0.13 -0.29 0.00 0.00 176.35 176.22 1ig3 s ARG 62 N 0.63 1.65 0.08 1.98 3.00 -1.26 -0.91 118.95 124.12 1ig3 s ARG 62 Ca -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 55.73 54.70 1ig3 s ARG 62 Cb -0.05 -1.74 -0.02 0.00 0.00 0.00 0.00 34.95 33.14 1ig3 s ARG 62 CO -0.03 0.46 0.09 0.00 0.00 0.00 0.00 175.30 175.81 1ig3 s ALA 63 N -0.73 0.19 0.03 2.13 0.00 0.24 -0.37 121.76 123.25 1ig3 s ALA 63 Ca 0.09 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.18 1ig3 s ALA 63 Cb -0.09 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1ig3 s ALA 63 CO 0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 175.76 175.09 1ig3 s ALA 65 N -0.75 3.00 0.00 0.00 0.00 -0.54 -1.38 121.76 122.08 1ig3 s ALA 65 Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1ig3 s ALA 65 Cb -0.09 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1ig3 s ALA 65 CO 0.01 -0.33 0.00 -0.40 0.00 0.00 0.00 175.76 175.04 1ig3 n ASP 66 N 4.61 0.00 0.10 0.00 5.75 0.21 -0.68 116.55 126.53 1ig3 n ASP 66 Ca -0.17 0.00 0.20 0.00 -0.01 0.00 0.00 54.79 54.81 1ig3 n ASP 66 Cb 0.51 0.00 0.69 0.00 -1.03 0.00 0.00 41.12 41.29 1ig3 n ASP 66 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ig3 h GLY 67 N 0.00 0.00 -0.26 6.12 0.00 -1.90 -0.99 103.07 106.04 1ig3 h GLY 67 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.62 1ig3 h GLY 67 CO 0.00 0.00 0.69 -1.33 0.00 0.00 0.00 176.54 175.90 1ig3 h GLY 68 N 0.00 1.25 1.31 4.60 0.00 -1.04 0.47 103.07 109.66 1ig3 h GLY 68 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ig3 h GLY 68 CO -0.00 -0.18 0.36 0.00 0.00 0.00 0.00 176.54 176.72 1ig3 h ALA 69 N 1.62 1.40 -0.22 3.60 0.00 -1.36 -1.60 119.26 122.71 1ig3 h ALA 69 Ca 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1ig3 h ALA 69 Cb 1.64 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1ig3 h ALA 69 CO -0.32 0.50 0.09 -0.91 0.00 0.00 0.00 179.25 178.61 1ig3 h ASN 70 N 0.91 0.30 -0.88 0.00 2.35 -0.25 -0.53 115.58 117.49 1ig3 h ASN 70 Ca 0.23 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1ig3 h ASN 70 Cb 0.02 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1ig3 h ASN 70 CO -0.04 0.37 0.45 0.45 -1.65 0.00 0.00 177.43 177.02 1ig3 h HIS 71 N 0.20 1.23 0.36 1.19 3.86 -1.17 -1.14 115.15 119.69 1ig3 h HIS 71 Ca 0.07 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1ig3 h HIS 71 Cb 0.16 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1ig3 h HIS 71 CO -0.01 0.87 -0.17 1.25 0.86 0.00 0.00 177.93 180.72 1ig3 h LEU 72 N 1.24 -0.41 -0.30 2.43 5.85 -1.15 -1.13 115.31 121.84 1ig3 h LEU 72 Ca 0.31 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.03 1ig3 h LEU 72 Cb 0.07 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 1ig3 h LEU 72 CO -0.04 -0.19 -0.30 0.22 -0.34 0.00 0.00 178.44 177.79 1ig3 h TYR 73 N -0.62 -0.83 -0.79 1.25 3.20 -0.90 0.02 116.97 118.31 1ig3 h TYR 73 Ca -0.05 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1ig3 h TYR 73 Cb 0.45 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1ig3 h TYR 73 CO -0.02 -0.37 0.35 -0.44 -1.64 0.00 0.00 178.16 176.05 1ig3 h ASP 74 N -0.28 1.05 -0.54 -2.11 3.32 -1.18 -3.01 116.42 113.67 1ig3 h ASP 74 Ca 0.15 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1ig3 h ASP 74 Cb 0.52 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1ig3 h ASP 74 CO -0.46 0.91 -0.09 0.25 -1.72 0.00 0.00 179.24 178.13 1ig3 h LEU 75 N 1.12 1.02 -2.16 1.55 5.85 -0.62 -3.23 115.31 118.83 1ig3 h LEU 75 Ca 0.27 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ig3 h LEU 75 Cb 0.16 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1ig3 h LEU 75 CO -0.03 1.12 0.00 0.35 -0.34 0.00 0.00 178.44 179.54 1ig3 n THR 76 N -4.17 1.24 -1.62 1.05 -2.24 -0.06 -4.97 114.28 103.51 1ig3 n THR 76 Ca 0.01 -0.72 -0.45 0.00 -2.27 0.00 0.00 64.05 60.62 1ig3 n THR 76 Cb 0.39 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1ig3 n THR 76 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ig3 n GLU 77 N 0.48 1.58 0.00 -0.78 2.13 -1.14 -1.10 120.64 121.80 1ig3 n GLU 77 Ca 0.15 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1ig3 n GLU 77 Cb 0.65 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.32 1ig3 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ig3 n GLY 78 N 1.44 2.66 1.11 8.31 0.00 -1.26 -4.72 105.19 112.73 1ig3 n GLY 78 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1ig3 n GLY 78 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ig3 n GLU 79 N -2.00 0.00 -0.29 1.61 0.28 -0.26 -4.96 120.64 115.03 1ig3 n GLU 79 Ca 0.00 -1.34 0.14 0.00 -0.16 0.00 0.00 57.16 55.80 1ig3 n GLU 79 Cb 0.00 0.13 0.39 0.00 1.43 0.00 0.00 31.44 33.39 1ig3 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ig3 h ARG 80 N 0.43 0.64 0.00 3.44 3.08 -1.49 0.29 114.38 120.77 1ig3 h ARG 80 Ca -0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1ig3 h ARG 80 Cb 1.58 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1ig3 h ARG 80 CO -0.06 0.42 0.00 0.93 -1.07 0.00 0.00 179.97 180.19 1ig3 h GLU 81 N 0.66 0.00 -0.00 0.04 5.08 -1.92 0.45 114.58 118.88 1ig3 h GLU 81 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1ig3 h GLU 81 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1ig3 h GLU 81 CO -0.24 0.00 -0.42 0.43 -1.00 0.00 0.00 179.01 177.78 1ig3 n SER 82 N -2.79 0.53 -3.16 1.42 7.64 0.09 -4.30 113.62 113.04 1ig3 n SER 82 Ca -0.02 -0.28 -0.24 0.00 1.01 0.00 0.00 58.87 59.34 1ig3 n SER 82 Cb 0.08 0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 1ig3 n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ig3 n PHE 83 N -1.38 2.07 -3.67 1.43 3.01 0.16 -5.05 117.46 114.03 1ig3 n PHE 83 Ca 0.07 -3.90 -0.38 0.00 1.01 0.00 0.00 57.45 54.24 1ig3 n PHE 83 Cb 0.34 -0.46 -0.12 0.00 -0.01 0.00 0.00 39.48 39.23 1ig3 n PHE 83 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ig3 s LEU 84 N -2.53 3.95 0.53 4.37 1.43 -1.21 -4.93 118.68 120.29 1ig3 s LEU 84 Ca 0.42 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 1ig3 s LEU 84 Cb 0.25 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1ig3 s LEU 84 CO -0.09 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 175.26 1ig3 s PRO 85 N 1.62 3.51 0.20 1.29 0.04 -1.26 -4.94 135.00 135.46 1ig3 s PRO 85 Ca 0.05 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1ig3 s PRO 85 Cb -0.17 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.49 1ig3 s PRO 85 CO 0.06 -0.69 1.84 0.93 0.04 0.00 0.00 177.00 179.18 1ig3 h GLU 86 N 1.15 0.78 -3.49 4.56 3.07 -1.10 -3.42 114.58 116.13 1ig3 h GLU 86 Ca -0.49 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.26 1ig3 h GLU 86 Cb 1.24 -0.18 -0.13 0.00 -0.84 0.00 0.00 28.75 28.84 1ig3 h GLU 86 CO 0.58 0.52 -0.13 -0.59 -1.40 0.00 0.00 179.01 177.98 1ig3 s PHE 87 N -6.12 -0.10 -0.09 4.33 -0.71 -1.24 -2.23 117.98 111.81 1ig3 s PHE 87 Ca -0.13 -0.24 -0.00 0.00 -1.04 0.00 0.00 56.93 55.52 1ig3 s PHE 87 Cb 0.15 0.19 0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1ig3 s PHE 87 CO 0.76 -0.69 -0.07 0.08 -1.34 0.00 0.00 175.22 173.97 1ig3 s VAL 88 N -3.83 0.88 0.32 -2.49 1.01 0.51 -2.10 120.40 114.70 1ig3 s VAL 88 Ca 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1ig3 s VAL 88 Cb 0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1ig3 s VAL 88 CO -0.11 0.33 -0.09 -0.94 0.00 0.00 0.00 175.10 174.30 1ig3 s SER 89 N 1.54 3.46 0.00 3.32 1.04 -0.48 -0.56 113.70 122.02 1ig3 s SER 89 Ca 0.01 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1ig3 s SER 89 Cb -0.13 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1ig3 s SER 89 CO -0.05 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1ig3 n GLY 90 N -0.73 1.16 3.69 7.32 0.00 -0.85 0.64 105.19 116.42 1ig3 n GLY 90 Ca -0.05 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1ig3 n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ig3 s ASP 91 N 0.00 7.05 0.40 1.61 2.15 -1.24 -2.06 116.67 124.57 1ig3 s ASP 91 Ca 0.00 1.82 0.27 0.00 0.43 0.00 0.00 52.55 55.07 1ig3 s ASP 91 Cb 0.00 -2.56 1.45 0.00 -0.30 0.00 0.00 42.92 41.51 1ig3 s ASP 91 CO 0.00 -0.59 1.81 -0.26 -0.17 0.00 0.00 175.17 175.97 1ig3 h PHE 92 N 7.46 0.00 0.00 -5.34 0.05 -1.93 -0.30 116.94 116.88 1ig3 h PHE 92 Ca -0.34 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.45 1ig3 h PHE 92 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.11 1ig3 h PHE 92 CO 0.73 0.00 0.00 -0.25 -0.18 0.00 0.00 178.31 178.61 1ig3 n ASP 93 N -2.43 0.00 0.04 2.17 8.00 -1.26 -2.87 116.55 120.19 1ig3 n ASP 93 Ca -0.02 -0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.50 1ig3 n ASP 93 Cb 0.04 -0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 1ig3 n ASP 93 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ig3 n SER 94 N -1.25 0.36 -4.76 -2.24 3.41 -0.12 -4.91 113.62 104.12 1ig3 n SER 94 Ca 0.10 0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.47 1ig3 n SER 94 Cb 0.15 1.34 -0.08 0.00 -0.26 0.00 0.00 64.21 65.36 1ig3 n SER 94 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ig3 s ILE 95 N -3.44 5.08 0.50 -1.33 1.01 -1.14 -4.00 121.20 117.88 1ig3 s ILE 95 Ca -0.05 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 1ig3 s ILE 95 Cb 0.12 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 1ig3 s ILE 95 CO 0.86 0.55 1.30 -0.13 0.00 0.00 0.00 174.94 177.51 1ig3 s ARG 96 N -0.41 3.46 0.15 2.79 0.52 -1.26 -4.81 118.95 119.39 1ig3 s ARG 96 Ca 0.10 2.10 -0.19 0.00 -0.52 0.00 0.00 55.73 57.22 1ig3 s ARG 96 Cb -0.12 -2.39 0.03 0.00 0.52 0.00 0.00 34.95 33.00 1ig3 s ARG 96 CO 0.02 -0.89 1.67 -1.35 0.02 0.00 0.00 175.30 174.77 1ig3 h PRO 97 N 1.84 -0.07 -0.62 3.54 0.11 -1.98 -0.51 132.00 134.32 1ig3 h PRO 97 Ca -0.50 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ig3 h PRO 97 Cb 1.28 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1ig3 h PRO 97 CO 0.59 -0.05 0.41 1.05 -0.21 0.00 0.00 178.00 179.79 1ig3 h GLU 98 N -0.07 0.78 -0.12 1.05 9.09 -1.99 0.65 114.58 123.98 1ig3 h GLU 98 Ca 0.14 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.47 1ig3 h GLU 98 Cb 0.29 -0.18 -0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1ig3 h GLU 98 CO -0.32 0.52 -0.08 0.28 0.05 0.00 0.00 179.01 179.46 1ig3 h VAL 99 N 0.81 1.33 -0.59 -1.06 2.07 -1.77 -1.16 116.25 115.88 1ig3 h VAL 99 Ca 0.23 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1ig3 h VAL 99 Cb -0.05 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1ig3 h VAL 99 CO -0.05 0.33 0.35 0.50 0.02 0.00 0.00 177.57 178.72 1ig3 h LYS 100 N -0.10 0.80 0.04 1.57 3.64 -0.68 -2.56 116.57 119.28 1ig3 h LYS 100 Ca 0.02 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ig3 h LYS 100 Cb 0.56 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ig3 h LYS 100 CO 0.02 0.58 -0.04 1.49 -2.27 0.00 0.00 179.45 179.24 1ig3 h GLU 101 N 0.80 -0.08 0.03 1.90 4.81 -0.83 -1.82 114.58 119.39 1ig3 h GLU 101 Ca 0.21 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1ig3 h GLU 101 Cb -0.01 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1ig3 h GLU 101 CO -0.04 -0.05 -0.37 -0.92 -0.73 0.00 0.00 179.01 176.89 1ig3 h TYR 102 N -0.08 -1.04 -0.37 0.92 3.20 -1.01 0.15 116.97 118.73 1ig3 h TYR 102 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1ig3 h TYR 102 Cb 0.08 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1ig3 h TYR 102 CO -0.09 -0.47 0.09 1.88 -1.64 0.00 0.00 178.16 177.93 1ig3 h TYR 103 N -0.55 0.54 -0.05 -3.82 0.99 -1.46 -1.38 116.97 111.25 1ig3 h TYR 103 Ca 0.05 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 1ig3 h TYR 103 Cb 0.62 -0.17 -0.00 0.00 1.00 0.00 0.00 36.73 38.18 1ig3 h TYR 103 CO -0.37 0.48 0.02 1.15 -0.00 0.00 0.00 178.16 179.43 1ig3 h THR 104 N 0.53 1.17 -0.66 -2.88 2.02 -0.76 0.17 112.91 112.49 1ig3 h THR 104 Ca 0.12 -0.49 0.06 0.00 0.77 0.00 0.00 66.41 66.87 1ig3 h THR 104 Cb 0.21 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1ig3 h THR 104 CO -0.00 0.14 0.44 0.50 0.37 0.00 0.00 175.52 176.96 1ig3 h LYS 105 N -0.11 0.65 -0.13 6.66 3.64 -0.14 -1.38 116.57 125.76 1ig3 h LYS 105 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ig3 h LYS 105 Cb 0.20 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ig3 h LYS 105 CO -0.00 0.43 0.00 1.63 -2.27 0.00 0.00 179.45 179.24 1ig3 n LYS 106 N -4.48 1.35 -0.66 1.90 4.76 -0.57 -4.88 118.16 115.58 1ig3 n LYS 106 Ca 0.09 -0.54 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1ig3 n LYS 106 Cb 0.23 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1ig3 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ig3 n GLY 107 N 0.82 0.65 3.76 0.72 0.00 -0.52 -5.04 105.19 105.59 1ig3 n GLY 107 Ca 0.09 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1ig3 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ig3 s ASP 109 N -1.01 6.70 -0.40 0.00 2.15 -0.95 -4.44 116.67 118.72 1ig3 s ASP 109 Ca 0.49 0.59 -0.14 0.00 0.43 0.00 0.00 52.55 53.91 1ig3 s ASP 109 Cb -0.31 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 39.81 1ig3 s ASP 109 CO 0.39 -1.06 0.29 -0.76 -0.17 0.00 0.00 175.17 173.85 1ig3 s LEU 110 N 3.99 5.04 -0.21 -1.34 2.01 -1.26 -0.36 118.68 126.54 1ig3 s LEU 110 Ca 0.44 -0.90 -0.05 0.00 0.01 0.00 0.00 54.13 53.63 1ig3 s LEU 110 Cb -0.10 -2.14 -0.02 0.00 0.01 0.00 0.00 46.19 43.94 1ig3 s LEU 110 CO 0.25 -0.44 -0.01 -0.63 1.01 0.00 0.00 176.35 176.53 1ig3 s ILE 111 N 1.66 3.81 -0.12 -0.59 1.01 0.27 -4.98 121.20 122.27 1ig3 s ILE 111 Ca 0.05 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 1ig3 s ILE 111 Cb -0.19 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1ig3 s ILE 111 CO 0.10 0.42 0.92 -0.55 0.00 0.00 0.00 174.94 175.82 1ig3 s SER 112 N 1.20 7.14 -0.55 3.58 0.15 -1.26 -2.01 113.70 121.94 1ig3 s SER 112 Ca 0.03 1.39 0.04 0.00 0.70 0.00 0.00 55.95 58.11 1ig3 s SER 112 Cb -0.15 -2.51 0.16 0.00 -1.71 0.00 0.00 66.02 61.82 1ig3 s SER 112 CO 0.01 -0.39 0.39 0.42 1.20 0.00 0.00 173.24 174.86 1ig3 s THR 113 N 1.89 1.78 -0.41 6.45 -4.23 -0.88 -4.86 115.64 115.39 1ig3 s THR 113 Ca 0.44 -3.40 0.26 0.00 -1.18 0.00 0.00 61.69 57.82 1ig3 s THR 113 Cb -0.18 -2.20 0.32 0.00 1.34 0.00 0.00 72.50 71.78 1ig3 s THR 113 CO 0.17 -1.05 1.76 1.55 -0.54 0.00 0.00 174.62 176.51 1ig3 h PRO 114 N 5.77 0.00 -6.14 3.99 0.14 -1.95 -3.29 132.00 130.52 1ig3 h PRO 114 Ca 0.15 0.00 -0.75 0.00 0.14 0.00 0.00 66.00 65.54 1ig3 h PRO 114 Cb 0.84 0.00 0.02 0.00 0.14 0.00 0.00 31.00 32.00 1ig3 h PRO 114 CO 0.56 0.00 0.78 -3.47 0.14 0.00 0.00 178.00 176.01 1ig3 n ASP 115 N -2.71 2.03 -0.85 1.44 -0.08 -1.26 -4.85 116.55 110.29 1ig3 n ASP 115 Ca 0.03 1.10 0.07 0.00 -1.51 0.00 0.00 54.79 54.48 1ig3 n ASP 115 Cb 0.40 -1.11 0.20 0.00 2.34 0.00 0.00 41.12 42.95 1ig3 n ASP 115 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ig3 n GLN 116 N 4.62 2.07 0.00 -0.67 1.13 -1.26 -3.65 117.38 119.63 1ig3 n GLN 116 Ca 0.26 -1.63 0.09 0.00 -1.94 0.00 0.00 57.00 53.78 1ig3 n GLN 116 Cb 0.11 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1ig3 n GLN 116 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1ig3 n ASP 117 N 0.81 1.83 -3.97 1.08 8.00 -1.26 -4.95 116.55 118.08 1ig3 n ASP 117 Ca 0.15 -1.41 -0.15 0.00 0.71 0.00 0.00 54.79 54.09 1ig3 n ASP 117 Cb 0.39 0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 41.80 1ig3 n ASP 117 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1ig3 s HIS 118 N -2.09 0.48 0.67 1.24 3.76 -1.24 -5.15 115.29 112.96 1ig3 s HIS 118 Ca 0.16 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.77 1ig3 s HIS 118 Cb 0.15 -0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.54 1ig3 s HIS 118 CO 0.46 -0.02 1.07 0.95 -0.85 0.00 0.00 174.74 176.34 1ig3 s THR 119 N -0.36 3.75 0.48 1.30 -4.23 -1.26 -4.85 115.64 110.47 1ig3 s THR 119 Ca -0.00 0.68 0.16 0.00 -1.18 0.00 0.00 61.69 61.34 1ig3 s THR 119 Cb -0.03 -3.28 0.23 0.00 1.34 0.00 0.00 72.50 70.76 1ig3 s THR 119 CO -0.00 -0.64 2.07 0.44 -0.54 0.00 0.00 174.62 175.95 1ig3 h ASP 120 N -0.32 0.00 0.08 3.99 3.32 -1.92 -1.32 116.42 120.25 1ig3 h ASP 120 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1ig3 h ASP 120 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ig3 h ASP 120 CO 0.56 0.09 -0.04 0.15 -1.72 0.00 0.00 179.24 178.28 1ig3 h PHE 121 N 0.00 -0.10 -0.53 4.55 -0.00 -1.93 0.11 116.94 119.04 1ig3 h PHE 121 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 1ig3 h PHE 121 Cb 0.17 0.03 -0.03 0.00 -0.00 0.00 0.00 35.95 36.13 1ig3 h PHE 121 CO 0.00 0.11 0.31 1.15 -0.00 0.00 0.00 178.31 179.88 1ig3 h THR 122 N -0.30 1.17 -0.09 4.41 2.02 -1.82 -2.27 112.91 116.02 1ig3 h THR 122 Ca -0.01 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1ig3 h THR 122 Cb 0.26 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1ig3 h THR 122 CO 0.02 0.17 -0.22 0.11 0.37 0.00 0.00 175.52 175.98 1ig3 h LYS 123 N 0.71 0.15 -0.50 6.66 1.57 -1.15 -2.61 116.57 121.40 1ig3 h LYS 123 Ca 0.19 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1ig3 h LYS 123 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1ig3 h LYS 123 CO -0.03 0.37 -0.15 0.00 -0.57 0.00 0.00 179.45 179.07 1ig3 h LEU 125 N 0.85 0.18 -0.28 0.00 3.38 -1.06 0.10 115.31 118.49 1ig3 h LEU 125 Ca 0.13 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1ig3 h LEU 125 Cb 0.71 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ig3 h LEU 125 CO 0.05 0.40 -0.15 1.56 0.09 0.00 0.00 178.44 180.39 1ig3 h GLN 126 N 0.18 0.60 -0.41 1.13 4.20 -1.19 -0.11 115.11 119.52 1ig3 h GLN 126 Ca 0.03 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1ig3 h GLN 126 Cb 0.46 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1ig3 h GLN 126 CO 0.03 0.85 0.15 0.28 -0.67 0.00 0.00 178.83 179.47 1ig3 h VAL 127 N 0.35 1.20 -0.78 -0.54 2.07 -1.01 -2.18 116.25 115.36 1ig3 h VAL 127 Ca 0.06 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1ig3 h VAL 127 Cb 0.68 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1ig3 h VAL 127 CO 0.04 0.23 0.50 0.25 0.02 0.00 0.00 177.57 178.61 1ig3 h LEU 128 N 0.51 0.82 -0.87 2.57 5.85 -0.66 -0.01 115.31 123.51 1ig3 h LEU 128 Ca 0.13 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1ig3 h LEU 128 Cb 0.21 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1ig3 h LEU 128 CO -0.01 0.57 0.36 -0.61 -0.34 0.00 0.00 178.44 178.41 1ig3 h GLN 129 N 0.97 1.18 0.17 1.25 5.75 -0.77 0.18 115.11 123.83 1ig3 h GLN 129 Ca 0.31 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1ig3 h GLN 129 Cb 0.00 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.35 1ig3 h GLN 129 CO -0.11 0.92 -0.08 -0.09 -2.65 0.00 0.00 178.83 176.82 1ig3 h ARG 130 N 1.16 -0.22 -0.88 1.69 2.43 -0.70 -1.02 114.38 116.84 1ig3 h ARG 130 Ca 0.27 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 1ig3 h ARG 130 Cb 0.16 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 1ig3 h ARG 130 CO -0.03 -0.15 0.55 0.87 -1.51 0.00 0.00 179.97 179.70 1ig3 h LYS 131 N -0.23 0.95 -0.72 0.20 1.79 -0.58 0.41 116.57 118.40 1ig3 h LYS 131 Ca -0.02 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1ig3 h LYS 131 Cb 0.18 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1ig3 h LYS 131 CO 0.04 0.63 0.22 0.82 -1.08 0.00 0.00 179.45 180.08 1ig3 h ILE 132 N 0.98 1.26 -0.06 1.86 2.04 -0.64 -0.18 117.51 122.76 1ig3 h ILE 132 Ca 0.39 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1ig3 h ILE 132 Cb 0.19 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1ig3 h ILE 132 CO -0.18 0.35 -0.10 -0.33 0.00 0.00 0.00 178.15 177.89 1ig3 h GLU 133 N 1.07 0.17 -0.30 2.37 5.08 -0.28 0.70 114.58 123.39 1ig3 h GLU 133 Ca 0.23 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1ig3 h GLU 133 Cb 0.30 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1ig3 h GLU 133 CO -0.01 0.67 -0.24 0.93 -1.00 0.00 0.00 179.01 179.36 1ig3 h GLU 134 N -0.30 -0.21 -0.33 2.33 5.08 -0.02 -1.24 114.58 119.89 1ig3 h GLU 134 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ig3 h GLU 134 Cb 0.65 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ig3 h GLU 134 CO 0.02 -0.14 0.00 1.63 -1.00 0.00 0.00 179.01 179.52 1ig3 n LYS 135 N -5.38 1.74 -4.28 2.33 5.02 -0.10 -4.92 118.16 112.57 1ig3 n LYS 135 Ca 0.00 -1.10 -0.35 0.00 -2.02 0.00 0.00 58.31 54.84 1ig3 n LYS 135 Cb 0.29 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1ig3 n LYS 135 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ig3 n GLU 136 N 0.38 -2.17 -2.47 1.97 1.02 -0.28 -4.88 120.64 114.21 1ig3 n GLU 136 Ca 0.10 0.27 -0.37 0.00 -0.02 0.00 0.00 57.16 57.14 1ig3 n GLU 136 Cb 0.27 -4.65 -0.03 0.00 -0.02 0.00 0.00 31.44 27.01 1ig3 n GLU 136 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ig3 s LEU 137 N -7.23 4.14 -0.42 -4.62 1.43 0.08 -5.01 118.68 107.04 1ig3 s LEU 137 Ca 0.52 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1ig3 s LEU 137 Cb -0.29 -4.16 0.06 0.00 0.03 0.00 0.00 46.19 41.83 1ig3 s LEU 137 CO 0.96 -0.57 0.29 -1.10 0.23 0.00 0.00 176.35 176.16 1ig3 s GLN 138 N -2.48 2.80 -0.11 1.70 -0.21 -1.26 -4.89 119.66 115.22 1ig3 s GLN 138 Ca 0.58 -1.28 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1ig3 s GLN 138 Cb -0.24 -3.88 -0.01 0.00 1.00 0.00 0.00 33.01 29.87 1ig3 s GLN 138 CO 0.30 -0.88 -0.18 0.08 -2.12 0.00 0.00 175.29 172.48 1ig3 s VAL 139 N 1.55 2.58 -0.01 1.09 1.01 -1.26 -4.81 120.40 120.54 1ig3 s VAL 139 Ca 0.03 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1ig3 s VAL 139 Cb -0.22 -2.04 -0.24 0.00 0.00 0.00 0.00 36.38 33.88 1ig3 s VAL 139 CO 0.05 0.54 0.78 0.44 0.00 0.00 0.00 175.10 176.92 1ig3 h ASP 140 N 6.62 0.17 -4.66 3.32 3.32 -0.76 -3.47 116.42 120.96 1ig3 h ASP 140 Ca -0.24 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1ig3 h ASP 140 Cb 1.22 -0.05 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1ig3 h ASP 140 CO 0.51 1.24 0.35 0.54 -1.72 0.00 0.00 179.24 180.16 1ig3 s VAL 141 N -2.62 0.00 -0.24 -1.35 0.11 -1.15 -4.23 120.40 110.93 1ig3 s VAL 141 Ca -0.07 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 1ig3 s VAL 141 Cb 0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1ig3 s VAL 141 CO 0.83 0.00 0.04 -0.63 -3.33 0.00 0.00 175.10 172.01 1ig3 s ILE 142 N -1.70 4.08 -0.30 7.04 1.01 0.33 -2.23 121.20 129.43 1ig3 s ILE 142 Ca -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 1ig3 s ILE 142 Cb -0.00 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1ig3 s ILE 142 CO 0.02 0.36 0.24 -0.69 0.00 0.00 0.00 174.94 174.87 1ig3 s VAL 143 N 1.57 5.28 -0.17 2.92 1.01 0.22 -1.70 120.40 129.52 1ig3 s VAL 143 Ca 0.06 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1ig3 s VAL 143 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1ig3 s VAL 143 CO 0.02 0.14 0.06 -0.89 0.00 0.00 0.00 175.10 174.43 1ig3 s THR 144 N 1.81 4.76 -0.17 3.92 2.01 -0.23 -0.62 115.64 127.11 1ig3 s THR 144 Ca 0.08 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1ig3 s THR 144 Cb -0.16 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1ig3 s THR 144 CO 0.11 0.47 0.01 -0.76 -0.69 0.00 0.00 174.62 173.76 1ig3 s LEU 145 N 0.26 3.52 0.00 4.42 1.43 0.87 -0.72 118.68 128.46 1ig3 s LEU 145 Ca 0.04 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1ig3 s LEU 145 Cb -0.12 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1ig3 s LEU 145 CO 0.00 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1ig3 n GLY 146 N 3.51 -1.31 3.41 -3.19 0.00 -0.31 -1.16 105.19 106.14 1ig3 n GLY 146 Ca -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1ig3 n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ig3 n GLY 147 N 0.00 0.55 0.27 -0.02 0.00 -1.26 -4.41 105.19 100.32 1ig3 n GLY 147 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1ig3 n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ig3 n LEU 148 N 0.00 1.75 -4.39 0.99 4.77 -1.26 -4.19 117.00 114.67 1ig3 n LEU 148 Ca 0.00 -1.24 -0.19 0.00 -0.03 0.00 0.00 56.01 54.55 1ig3 n LEU 148 Cb 0.01 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1ig3 n LEU 148 CO 0.00 0.39 -0.26 -0.83 -1.33 0.00 0.00 177.39 175.36 1ig3 s GLY 149 N -0.63 1.95 0.00 -0.72 0.00 -1.26 -5.00 107.32 101.66 1ig3 s GLY 149 Ca 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.86 1ig3 s GLY 149 CO 0.08 -1.72 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1ig3 n GLY 150 N -0.60 -1.65 3.62 0.20 0.00 -1.26 -4.78 105.19 100.73 1ig3 n GLY 150 Ca -0.01 -1.56 -0.63 0.00 0.00 0.00 0.00 46.02 43.81 1ig3 n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ig3 n ARG 151 N 0.00 0.03 -0.36 1.61 1.74 -1.26 -4.82 116.66 113.60 1ig3 n ARG 151 Ca 0.00 0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 1ig3 n ARG 151 Cb 0.00 -1.52 0.12 0.00 -1.02 0.00 0.00 32.46 30.05 1ig3 n ARG 151 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1ig3 h PHE 152 N 4.04 1.24 -0.67 -1.55 3.57 -2.00 -1.91 116.94 119.65 1ig3 h PHE 152 Ca -0.48 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.06 1ig3 h PHE 152 Cb 1.40 -0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1ig3 h PHE 152 CO 0.61 0.79 0.44 0.38 -2.23 0.00 0.00 178.31 178.30 1ig3 h ASP 153 N 1.33 0.77 0.72 0.41 2.03 -2.00 -1.99 116.42 117.69 1ig3 h ASP 153 Ca 0.36 -0.02 -0.10 0.00 -0.73 0.00 0.00 57.03 56.53 1ig3 h ASP 153 Cb -0.14 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.15 1ig3 h ASP 153 CO -0.08 0.56 -0.48 1.56 -1.03 0.00 0.00 179.24 179.77 1ig3 h GLN 154 N 0.91 0.00 -0.34 4.15 1.08 -1.72 -0.86 115.11 118.32 1ig3 h GLN 154 Ca 0.24 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.36 1ig3 h GLN 154 Cb -0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1ig3 h GLN 154 CO -0.05 0.48 -0.10 0.82 -0.95 0.00 0.00 178.83 179.03 1ig3 h ILE 155 N 0.00 1.28 -0.17 2.54 2.04 -0.90 -1.63 117.51 120.67 1ig3 h ILE 155 Ca -0.00 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 1ig3 h ILE 155 Cb 0.97 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1ig3 h ILE 155 CO 0.06 0.39 -0.25 0.24 0.00 0.00 0.00 178.15 178.59 1ig3 h MET 156 N 0.46 0.31 -0.56 2.37 2.86 -1.14 -2.44 114.93 116.78 1ig3 h MET 156 Ca 0.08 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1ig3 h MET 156 Cb 0.62 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1ig3 h MET 156 CO 0.04 0.54 0.03 0.00 1.06 0.00 0.00 176.91 178.58 1ig3 h ALA 157 N 1.47 0.99 -0.79 6.32 0.00 -0.93 -0.35 119.26 125.97 1ig3 h ALA 157 Ca 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ig3 h ALA 157 Cb 0.59 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ig3 h ALA 157 CO 0.04 0.62 0.52 0.77 0.00 0.00 0.00 179.25 181.20 1ig3 h SER 158 N 0.88 0.89 -0.29 0.00 0.02 -0.85 0.18 113.55 114.39 1ig3 h SER 158 Ca 0.17 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1ig3 h SER 158 Cb 0.47 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1ig3 h SER 158 CO 0.02 0.64 0.05 0.58 -1.14 0.00 0.00 176.83 176.98 1ig3 h VAL 159 N 1.05 1.23 -0.37 2.27 2.07 -1.03 -2.86 116.25 118.61 1ig3 h VAL 159 Ca 0.29 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1ig3 h VAL 159 Cb -0.10 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1ig3 h VAL 159 CO -0.07 0.25 0.08 -1.13 0.02 0.00 0.00 177.57 176.72 1ig3 h ASN 160 N 0.30 0.50 -0.79 0.57 -1.24 -0.41 -1.55 115.58 112.95 1ig3 h ASN 160 Ca 0.09 -0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.07 1ig3 h ASN 160 Cb 0.33 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.20 1ig3 h ASN 160 CO 0.00 0.51 0.52 0.74 -1.29 0.00 0.00 177.43 177.92 1ig3 h THR 161 N 0.53 1.11 -0.53 -3.57 2.02 -0.44 -1.22 112.91 110.82 1ig3 h THR 161 Ca 0.12 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1ig3 h THR 161 Cb 0.22 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1ig3 h THR 161 CO -0.00 0.17 0.21 -0.07 0.37 0.00 0.00 175.52 176.20 1ig3 h LEU 162 N 0.95 0.69 -0.29 2.58 3.38 -1.14 0.42 115.31 121.89 1ig3 h LEU 162 Ca 0.32 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1ig3 h LEU 162 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ig3 h LEU 162 CO -0.10 0.62 0.07 -0.26 0.09 0.00 0.00 178.44 178.87 1ig3 h PHE 163 N 0.75 0.49 -0.34 1.13 -1.00 -1.16 -3.11 116.94 113.70 1ig3 h PHE 163 Ca 0.18 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.79 1ig3 h PHE 163 Cb 0.15 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1ig3 h PHE 163 CO 0.01 0.53 -0.24 1.96 -1.61 0.00 0.00 178.31 178.96 1ig3 h GLN 164 N 0.31 0.66 -0.43 1.51 4.20 -0.68 -3.06 115.11 117.62 1ig3 h GLN 164 Ca 0.09 -0.26 0.12 0.00 0.06 0.00 0.00 58.65 58.66 1ig3 h GLN 164 Cb 0.29 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1ig3 h GLN 164 CO 0.00 0.84 0.49 0.00 -0.67 0.00 0.00 178.83 179.49 1ig3 h ALA 165 N 1.16 2.13 0.00 3.87 0.00 -0.12 0.68 119.26 126.99 1ig3 h ALA 165 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ig3 h ALA 165 Cb 0.72 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ig3 h ALA 165 CO 0.06 -0.71 -0.07 0.00 0.00 0.00 0.00 179.25 178.53 1ig3 h THR 166 N 0.00 0.41 -0.02 0.00 1.03 -1.61 -0.74 112.91 111.98 1ig3 h THR 166 Ca 0.20 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1ig3 h THR 166 Cb 1.18 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1ig3 h THR 166 CO -0.00 0.06 -0.28 1.41 -0.01 0.00 0.00 175.52 176.70 1ig3 n HIS 167 N -3.53 0.00 -0.10 0.00 8.25 0.22 -4.53 115.22 115.53 1ig3 n HIS 167 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 1ig3 n HIS 167 Cb 0.19 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.18 1ig3 n HIS 167 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ig3 n ILE 168 N 0.29 1.57 -3.77 1.59 5.41 -0.38 -5.03 119.36 119.03 1ig3 n ILE 168 Ca 0.09 -0.43 -0.11 0.00 1.00 0.00 0.00 62.75 63.29 1ig3 n ILE 168 Cb 0.43 -1.74 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 1ig3 n ILE 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1ig3 s THR 169 N -2.50 0.09 -1.01 1.39 -1.32 -0.65 -4.93 115.64 106.71 1ig3 s THR 169 Ca -0.33 -0.72 0.26 0.00 -1.21 0.00 0.00 61.69 59.69 1ig3 s THR 169 Cb 0.10 -0.93 0.04 0.00 -1.51 0.00 0.00 72.50 70.20 1ig3 s THR 169 CO 0.60 -0.40 1.49 -0.81 -2.21 0.00 0.00 174.62 173.29 1ig3 n PRO 170 N 0.61 0.01 -2.44 7.08 -0.04 -1.26 -4.51 135.00 134.45 1ig3 n PRO 170 Ca -0.19 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 1ig3 n PRO 170 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1ig3 n PRO 170 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ig3 s VAL 171 N -2.99 4.16 0.52 0.52 1.01 -1.26 -4.99 120.40 117.36 1ig3 s VAL 171 Ca 0.12 1.52 -0.22 0.00 0.00 0.00 0.00 61.98 63.39 1ig3 s VAL 171 Cb 0.18 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1ig3 s VAL 171 CO 0.67 0.04 1.21 -2.65 0.00 0.00 0.00 175.10 174.37 1ig3 n PRO 172 N 4.75 1.53 -4.66 2.72 -0.02 -1.26 -4.73 135.00 133.33 1ig3 n PRO 172 Ca 0.10 0.56 -0.25 0.00 -2.02 0.00 0.00 63.50 61.89 1ig3 n PRO 172 Cb 0.46 -2.38 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 1ig3 n PRO 172 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ig3 s ILE 173 N -1.32 1.24 0.13 4.25 1.01 -1.26 -0.51 121.20 124.73 1ig3 s ILE 173 Ca 0.69 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.90 1ig3 s ILE 173 Cb -0.45 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1ig3 s ILE 173 CO 0.51 0.38 -0.25 0.27 0.00 0.00 0.00 174.94 175.85 1ig3 s ILE 174 N 0.57 2.09 -0.08 2.92 -4.36 -0.69 -4.55 121.20 117.09 1ig3 s ILE 174 Ca -0.14 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1ig3 s ILE 174 Cb -0.15 -1.87 -0.00 0.00 1.25 0.00 0.00 42.46 41.68 1ig3 s ILE 174 CO 0.04 0.03 -0.24 -0.63 0.24 0.00 0.00 174.94 174.37 1ig3 s ILE 175 N -1.14 2.06 -0.03 8.37 1.01 -0.72 -1.07 121.20 129.67 1ig3 s ILE 175 Ca 0.12 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1ig3 s ILE 175 Cb -0.10 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1ig3 s ILE 175 CO 0.06 0.56 -0.09 -0.63 0.00 0.00 0.00 174.94 174.84 1ig3 s ILE 176 N 0.11 0.79 -0.23 2.92 1.01 0.11 -1.17 121.20 124.74 1ig3 s ILE 176 Ca -0.12 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 1ig3 s ILE 176 Cb -0.16 -0.72 0.07 0.00 0.01 0.00 0.00 42.46 41.66 1ig3 s ILE 176 CO 0.07 0.26 0.58 -1.58 0.00 0.00 0.00 174.94 174.26 1ig3 s GLN 177 N 0.36 0.62 6.14 2.79 0.74 -0.56 -1.16 119.66 128.59 1ig3 s GLN 177 Ca -0.06 0.95 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1ig3 s GLN 177 Cb -0.10 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1ig3 s GLN 177 CO 0.01 -0.13 0.00 1.63 -0.55 0.00 0.00 175.29 176.25 1ig3 n LYS 178 N 3.70 0.00 -0.41 1.67 5.02 -1.26 -1.45 118.16 125.43 1ig3 n LYS 178 Ca -0.18 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.18 1ig3 n LYS 178 Cb 0.57 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.83 1ig3 n LYS 178 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ig3 n ASP 179 N 9.94 3.82 -4.28 4.39 8.00 -1.26 -4.92 116.55 132.24 1ig3 n ASP 179 Ca 0.00 -2.55 -0.25 0.00 0.71 0.00 0.00 54.79 52.71 1ig3 n ASP 179 Cb 0.00 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.52 1ig3 n ASP 179 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ig3 s SER 180 N -1.35 2.54 0.02 -2.24 0.01 -0.53 -0.86 113.70 111.29 1ig3 s SER 180 Ca 0.38 -0.64 0.05 0.00 1.31 0.00 0.00 55.95 57.05 1ig3 s SER 180 Cb 0.27 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 1ig3 s SER 180 CO 0.15 0.09 -0.14 -0.22 0.41 0.00 0.00 173.24 173.53 1ig3 s LEU 181 N -1.70 2.13 0.07 2.44 0.20 -0.83 -1.50 118.68 119.49 1ig3 s LEU 181 Ca 0.07 -0.39 0.05 0.00 0.69 0.00 0.00 54.13 54.55 1ig3 s LEU 181 Cb -0.10 -0.61 -0.03 0.00 -0.43 0.00 0.00 46.19 45.02 1ig3 s LEU 181 CO 0.04 0.07 -0.14 0.27 -0.29 0.00 0.00 176.35 176.29 1ig3 s ILE 182 N -0.69 1.12 -0.21 6.68 -4.36 -0.31 -1.95 121.20 121.47 1ig3 s ILE 182 Ca 0.02 -1.27 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 1ig3 s ILE 182 Cb -0.07 -1.07 0.08 0.00 1.25 0.00 0.00 42.46 42.65 1ig3 s ILE 182 CO 0.01 -0.20 0.50 -0.47 0.24 0.00 0.00 174.94 175.02 1ig3 s TYR 183 N -1.22 -0.81 -0.22 1.37 5.04 -0.21 -1.76 117.35 119.54 1ig3 s TYR 183 Ca -0.02 1.62 -0.22 0.00 -2.44 0.00 0.00 57.07 56.01 1ig3 s TYR 183 Cb -0.10 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.60 1ig3 s TYR 183 CO 0.02 -0.44 0.71 -1.17 -1.34 0.00 0.00 175.55 173.33 1ig3 s LEU 184 N 1.79 4.11 -0.34 6.97 2.96 -1.26 -0.52 118.68 132.40 1ig3 s LEU 184 Ca -0.08 0.90 -0.22 0.00 -0.22 0.00 0.00 54.13 54.51 1ig3 s LEU 184 Cb -0.08 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.60 1ig3 s LEU 184 CO -0.15 -0.38 0.73 -0.76 -1.32 0.00 0.00 176.35 174.46 1ig3 s LEU 185 N 2.35 4.15 0.61 -0.68 1.43 0.17 -4.92 118.68 121.79 1ig3 s LEU 185 Ca 0.31 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.67 1ig3 s LEU 185 Cb -0.16 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 1ig3 s LEU 185 CO 0.09 -0.63 1.04 -1.10 0.23 0.00 0.00 176.35 175.99 1ig3 s GLN 186 N 2.89 3.39 0.16 1.70 -1.52 -1.26 -0.92 119.66 124.10 1ig3 s GLN 186 Ca 0.29 1.03 -0.33 0.00 -1.95 0.00 0.00 55.36 54.41 1ig3 s GLN 186 Cb -0.14 -2.05 -0.16 0.00 -0.22 0.00 0.00 33.01 30.44 1ig3 s GLN 186 CO 0.14 -0.74 1.03 -2.30 -0.25 0.00 0.00 175.29 173.17 1ig3 n PRO 187 N -2.30 0.82 0.00 2.91 -0.02 -1.26 -4.67 135.00 130.47 1ig3 n PRO 187 Ca 0.08 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1ig3 n PRO 187 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1ig3 n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ig3 n GLY 188 N 1.87 0.72 3.61 -1.23 0.00 -0.39 -4.97 105.19 104.79 1ig3 n GLY 188 Ca 0.16 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1ig3 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ig3 s LYS 189 N -1.03 3.07 0.07 1.61 1.02 -1.26 -1.67 119.74 121.55 1ig3 s LYS 189 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 55.97 55.58 1ig3 s LYS 189 Cb 0.00 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1ig3 s LYS 189 CO 0.00 0.59 -0.17 -1.01 -0.92 0.00 0.00 175.35 173.84 1ig3 s HIS 190 N -0.57 1.47 -0.26 3.18 3.76 0.16 -1.47 115.29 121.56 1ig3 s HIS 190 Ca 0.09 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 1ig3 s HIS 190 Cb -0.12 -0.83 0.07 0.00 1.11 0.00 0.00 32.58 32.81 1ig3 s HIS 190 CO 0.02 0.11 -0.02 1.03 -0.85 0.00 0.00 174.74 175.03 1ig3 s ARG 191 N -1.61 1.50 -0.31 1.40 0.52 -0.22 -0.92 118.95 119.30 1ig3 s ARG 191 Ca 0.02 -1.17 -0.10 0.00 -0.52 0.00 0.00 55.73 53.97 1ig3 s ARG 191 Cb -0.09 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 1ig3 s ARG 191 CO 0.03 -0.71 0.15 -0.51 0.02 0.00 0.00 175.30 174.28 1ig3 s LEU 192 N 1.33 4.09 -0.26 2.53 1.43 0.11 -0.93 118.68 126.99 1ig3 s LEU 192 Ca -0.01 -0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 1ig3 s LEU 192 Cb -0.19 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1ig3 s LEU 192 CO -0.09 -0.19 0.96 -1.00 0.23 0.00 0.00 176.35 176.26 1ig3 s HIS 193 N 1.62 3.28 -0.34 0.29 3.76 0.16 -1.22 115.29 122.85 1ig3 s HIS 193 Ca 0.05 1.26 0.07 0.00 -0.15 0.00 0.00 55.06 56.28 1ig3 s HIS 193 Cb -0.17 -3.27 0.45 0.00 1.11 0.00 0.00 32.58 30.69 1ig3 s HIS 193 CO 0.06 -0.52 1.16 1.33 -0.85 0.00 0.00 174.74 175.93 1ig3 n VAL 194 N 5.42 2.42 -1.42 -0.90 0.24 -0.48 -4.18 118.33 119.43 1ig3 n VAL 194 Ca 0.09 -4.41 0.07 0.00 -2.04 0.00 0.00 64.34 58.05 1ig3 n VAL 194 Cb 0.47 -1.10 0.19 0.00 -1.47 0.00 0.00 33.84 31.93 1ig3 n VAL 194 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ig3 n ASP 195 N -0.62 1.94 0.16 -1.34 5.75 -1.23 -4.72 116.55 116.49 1ig3 n ASP 195 Ca 0.41 -3.63 0.02 0.00 -0.01 0.00 0.00 54.79 51.58 1ig3 n ASP 195 Cb 0.86 -0.50 0.25 0.00 -1.03 0.00 0.00 41.12 40.71 1ig3 n ASP 195 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1ig3 h THR 196 N 0.67 1.19 0.00 2.12 1.35 -1.93 -3.47 112.91 112.84 1ig3 h THR 196 Ca 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 1ig3 h THR 196 Cb 1.01 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1ig3 h THR 196 CO 0.00 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1ig3 n GLY 197 N 0.19 0.34 0.03 5.82 0.00 -1.26 -4.91 105.19 105.39 1ig3 n GLY 197 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1ig3 n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ig3 n MET 198 N -1.78 0.07 -1.98 1.61 2.81 -1.26 -4.94 117.12 111.66 1ig3 n MET 198 Ca 0.00 -0.05 -0.41 0.00 -1.81 0.00 0.00 57.70 55.42 1ig3 n MET 198 Cb 0.00 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 30.99 1ig3 n MET 198 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ig3 s GLU 199 N -2.96 4.25 0.24 0.03 8.01 -1.26 0.32 118.70 127.32 1ig3 s GLU 199 Ca 0.11 2.35 -0.02 0.00 0.01 0.00 0.00 54.97 57.41 1ig3 s GLU 199 Cb 0.17 -3.09 0.05 0.00 -4.31 0.00 0.00 34.13 26.95 1ig3 s GLU 199 CO 0.76 -0.44 0.32 0.41 0.01 0.00 0.00 175.26 176.32 1ig3 n GLY 200 N 2.01 -0.29 0.09 -1.39 0.00 0.47 -4.22 105.19 101.86 1ig3 n GLY 200 Ca 0.06 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 1ig3 n GLY 200 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ig3 h SER 201 N -0.33 0.15 -2.04 1.61 4.64 -1.92 -3.43 113.55 112.22 1ig3 h SER 201 Ca -0.11 -0.14 -0.48 0.00 -0.47 0.00 0.00 61.79 60.60 1ig3 h SER 201 Cb 0.33 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1ig3 h SER 201 CO 0.09 1.03 -0.45 -1.66 -0.87 0.00 0.00 176.83 174.97 1ig3 s TRP 202 N -2.93 3.14 0.29 4.77 1.48 -1.26 -4.42 118.94 120.01 1ig3 s TRP 202 Ca -0.01 -0.16 -0.18 0.00 -1.06 0.00 0.00 56.10 54.70 1ig3 s TRP 202 Cb 0.10 -1.64 0.02 0.00 -1.16 0.00 0.00 33.47 30.78 1ig3 s TRP 202 CO 0.83 0.32 0.66 0.00 -4.06 0.00 0.00 176.95 174.70 1ig3 s GLY 204 N -2.98 -0.25 -0.19 0.00 0.00 0.54 -1.06 107.32 103.39 1ig3 s GLY 204 Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.95 1ig3 s GLY 204 CO 0.09 0.02 0.01 1.08 0.00 0.00 0.00 173.10 174.30 1ig3 s LEU 205 N -2.86 1.40 -0.28 0.66 2.01 -0.37 -1.59 118.68 117.66 1ig3 s LEU 205 Ca 0.10 -0.80 -0.05 0.00 0.01 0.00 0.00 54.13 53.38 1ig3 s LEU 205 Cb -0.03 -0.71 0.01 0.00 0.01 0.00 0.00 46.19 45.47 1ig3 s LEU 205 CO 0.01 -0.27 0.04 -0.63 1.01 0.00 0.00 176.35 176.51 1ig3 s ILE 206 N 1.77 3.65 -1.48 -0.59 -1.09 0.29 -2.41 121.20 121.34 1ig3 s ILE 206 Ca -0.01 -0.76 -0.10 0.00 -2.23 0.00 0.00 60.65 57.54 1ig3 s ILE 206 Cb -0.17 -2.87 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1ig3 s ILE 206 CO -0.07 0.13 2.50 -0.81 -1.23 0.00 0.00 174.94 175.46 1ig3 n PRO 207 N 4.81 3.56 -2.36 2.79 -0.04 -1.26 -1.74 135.00 140.77 1ig3 n PRO 207 Ca -0.15 -2.70 -0.40 0.00 -0.04 0.00 0.00 63.50 60.21 1ig3 n PRO 207 Cb 0.48 -2.95 -0.03 0.00 -0.04 0.00 0.00 33.50 30.96 1ig3 n PRO 207 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ig3 s VAL 208 N 1.74 3.25 0.00 0.52 1.01 -1.26 -3.84 120.40 121.82 1ig3 s VAL 208 Ca 0.56 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1ig3 s VAL 208 Cb 0.16 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1ig3 s VAL 208 CO -0.07 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1ig3 n GLY 209 N 0.95 2.39 3.44 4.51 0.00 -1.26 -4.88 105.19 110.34 1ig3 n GLY 209 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1ig3 n GLY 209 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ig3 s GLN 210 N 0.00 1.23 0.44 1.61 -2.07 -1.25 -5.14 119.66 114.48 1ig3 s GLN 210 Ca 0.00 -0.29 -0.25 0.00 -1.82 0.00 0.00 55.36 53.00 1ig3 s GLN 210 Cb 0.00 0.57 -0.08 0.00 -1.09 0.00 0.00 33.01 32.41 1ig3 s GLN 210 CO 0.00 -0.50 1.31 -2.14 -1.32 0.00 0.00 175.29 172.63 1ig3 s PRO 211 N -3.13 3.77 -0.42 9.60 0.02 -1.26 -4.81 135.00 138.76 1ig3 s PRO 211 Ca -0.02 2.14 -0.10 0.00 0.02 0.00 0.00 61.00 63.05 1ig3 s PRO 211 Cb -0.01 -2.61 0.08 0.00 0.02 0.00 0.00 34.50 31.98 1ig3 s PRO 211 CO -0.07 -0.66 0.27 0.00 -0.33 0.00 0.00 177.00 176.21 1ig3 n ASN 213 N 4.94 0.05 -3.47 0.00 3.02 -1.26 -0.58 115.26 117.95 1ig3 n ASN 213 Ca -0.10 0.50 -0.28 0.00 -0.03 0.00 0.00 54.58 54.68 1ig3 n ASN 213 Cb 0.43 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.97 1ig3 n ASN 213 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ig3 s GLN 214 N -3.01 0.93 -0.11 3.52 -0.21 -1.22 -3.99 119.66 115.58 1ig3 s GLN 214 Ca 0.13 -1.97 -0.00 0.00 0.02 0.00 0.00 55.36 53.54 1ig3 s GLN 214 Cb 0.18 -1.58 -0.02 0.00 1.00 0.00 0.00 33.01 32.59 1ig3 s GLN 214 CO 0.52 -1.32 -0.10 0.08 -2.12 0.00 0.00 175.29 172.36 1ig3 s VAL 215 N 0.25 3.39 -0.05 1.09 1.01 0.05 -3.47 120.40 122.68 1ig3 s VAL 215 Ca 0.27 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1ig3 s VAL 215 Cb -0.06 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ig3 s VAL 215 CO -0.13 0.54 -0.04 -0.89 0.00 0.00 0.00 175.10 174.58 1ig3 s THR 216 N -0.02 0.51 0.16 3.92 2.01 -0.75 -1.13 115.64 120.33 1ig3 s THR 216 Ca -0.02 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1ig3 s THR 216 Cb -0.14 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1ig3 s THR 216 CO 0.03 0.23 0.01 0.42 -0.69 0.00 0.00 174.62 174.62 1ig3 s THR 217 N 1.01 0.57 0.06 -0.82 -4.23 -0.21 -0.69 115.64 111.32 1ig3 s THR 217 Ca -0.10 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1ig3 s THR 217 Cb -0.14 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 1ig3 s THR 217 CO -0.00 -0.51 -0.05 0.42 -0.54 0.00 0.00 174.62 173.94 1ig3 s THR 218 N -3.73 0.37 0.00 3.99 -4.23 -1.04 -4.42 115.64 106.58 1ig3 s THR 218 Ca 0.23 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1ig3 s THR 218 Cb 0.06 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1ig3 s THR 218 CO 0.03 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 1ig3 n GLY 219 N 0.51 0.96 3.84 3.99 0.00 -1.26 -1.96 105.19 111.28 1ig3 n GLY 219 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1ig3 n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ig3 s LEU 220 N 0.00 3.50 0.11 0.99 1.43 -1.26 -1.50 118.68 121.95 1ig3 s LEU 220 Ca 0.00 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1ig3 s LEU 220 Cb 0.00 -2.10 -0.13 0.00 0.03 0.00 0.00 46.19 43.98 1ig3 s LEU 220 CO 0.00 -0.40 1.30 0.50 0.23 0.00 0.00 176.35 177.98 1ig3 h LYS 221 N 1.25 0.68 -4.28 1.70 3.64 -1.17 -3.38 116.57 115.00 1ig3 h LYS 221 Ca -0.44 -0.61 -0.69 0.00 -1.27 0.00 0.00 60.65 57.65 1ig3 h LYS 221 Cb 1.26 0.14 -0.36 0.00 -0.41 0.00 0.00 32.23 32.86 1ig3 h LYS 221 CO 0.59 1.21 -0.55 -1.58 -2.27 0.00 0.00 179.45 176.86 1ig3 s TRP 222 N -3.58 3.56 0.56 1.91 0.51 -1.26 -5.03 118.94 115.60 1ig3 s TRP 222 Ca -0.09 -2.61 -0.04 0.00 -2.12 0.00 0.00 56.10 51.23 1ig3 s TRP 222 Cb 0.09 -3.15 0.01 0.00 -0.81 0.00 0.00 33.47 29.60 1ig3 s TRP 222 CO 0.90 -0.93 0.85 -0.80 -0.51 0.00 0.00 176.95 176.45 1ig3 s ASN 223 N 1.34 5.62 0.06 2.95 0.01 -1.26 -5.00 114.94 118.66 1ig3 s ASN 223 Ca 0.11 0.59 0.08 0.00 -0.71 0.00 0.00 52.86 52.93 1ig3 s ASN 223 Cb -0.22 -1.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.78 1ig3 s ASN 223 CO -0.04 -0.99 -0.21 -0.76 -1.51 0.00 0.00 177.10 173.59 1ig3 s LEU 224 N -4.89 2.50 -0.32 0.60 1.43 -1.26 -4.96 118.68 111.78 1ig3 s LEU 224 Ca 0.53 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1ig3 s LEU 224 Cb -0.10 -1.44 0.10 0.00 0.03 0.00 0.00 46.19 44.77 1ig3 s LEU 224 CO 0.43 0.24 0.11 0.42 0.23 0.00 0.00 176.35 177.78 1ig3 s THR 225 N -0.94 0.83 -1.54 5.49 -4.23 -1.21 -1.04 115.64 112.99 1ig3 s THR 225 Ca 0.14 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1ig3 s THR 225 Cb -0.10 -1.63 0.03 0.00 1.34 0.00 0.00 72.50 72.14 1ig3 s THR 225 CO 0.05 -0.70 0.27 -3.20 -0.54 0.00 0.00 174.62 170.50 1ig3 n ASN 226 N 4.78 -0.10 -4.88 3.99 5.15 -0.28 -4.94 115.26 118.98 1ig3 n ASN 226 Ca -0.01 -1.16 -0.21 0.00 -0.60 0.00 0.00 54.58 52.60 1ig3 n ASN 226 Cb 0.41 -2.21 -0.03 0.00 -0.53 0.00 0.00 39.78 37.43 1ig3 n ASN 226 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ig3 s ASP 227 N -4.19 5.54 -0.10 1.20 1.01 -0.44 -4.64 116.67 115.04 1ig3 s ASP 227 Ca 0.14 -0.35 -0.17 0.00 0.71 0.00 0.00 52.55 52.89 1ig3 s ASP 227 Cb -0.08 -1.17 -0.05 0.00 1.01 0.00 0.00 42.92 42.63 1ig3 s ASP 227 CO 0.96 -0.28 0.43 -0.69 0.21 0.00 0.00 175.17 175.79 1ig3 s VAL 228 N -2.22 5.17 -0.14 -1.27 1.01 -1.26 -0.77 120.40 120.93 1ig3 s VAL 228 Ca 0.39 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1ig3 s VAL 228 Cb -0.07 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1ig3 s VAL 228 CO 0.27 0.39 -0.21 -0.76 0.00 0.00 0.00 175.10 174.80 1ig3 s LEU 229 N 0.21 2.04 -0.14 3.92 1.43 0.25 -4.57 118.68 121.82 1ig3 s LEU 229 Ca 0.24 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1ig3 s LEU 229 Cb -0.15 -1.38 0.10 0.00 0.03 0.00 0.00 46.19 44.79 1ig3 s LEU 229 CO 0.10 0.06 0.85 -0.83 0.23 0.00 0.00 176.35 176.76 1ig3 s GLY 230 N 0.87 -0.40 0.22 -3.19 0.00 -0.06 0.34 107.32 105.10 1ig3 s GLY 230 Ca -0.06 1.83 -0.31 0.00 0.00 0.00 0.00 44.72 46.18 1ig3 s GLY 230 CO -0.02 1.16 1.51 -1.36 0.00 0.00 0.00 173.10 174.39 1ig3 s PHE 231 N -0.84 3.00 0.00 1.90 0.40 -1.26 -0.67 117.98 120.51 1ig3 s PHE 231 Ca -0.05 0.85 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 1ig3 s PHE 231 Cb -0.01 -3.89 0.00 0.00 0.51 0.00 0.00 43.02 39.63 1ig3 s PHE 231 CO 0.04 -3.06 0.00 0.41 0.70 0.00 0.00 175.22 173.31 1ig3 n GLY 232 N 2.79 1.84 0.70 4.36 0.00 -1.26 -4.80 105.19 108.81 1ig3 n GLY 232 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1ig3 n GLY 232 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ig3 n THR 233 N -2.00 0.52 -3.64 2.61 -1.04 -0.29 -5.09 114.28 105.35 1ig3 n THR 233 Ca 0.00 0.22 -0.03 0.00 -2.04 0.00 0.00 64.05 62.21 1ig3 n THR 233 Cb 0.00 -1.43 -0.05 0.00 -1.82 0.00 0.00 70.33 67.03 1ig3 n THR 233 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ig3 s LEU 234 N -5.89 -1.05 -0.09 -4.42 2.96 0.16 -4.92 118.68 105.43 1ig3 s LEU 234 Ca -0.04 1.51 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1ig3 s LEU 234 Cb 0.01 2.30 0.01 0.00 0.50 0.00 0.00 46.19 49.01 1ig3 s LEU 234 CO 0.05 -0.22 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.03 1ig3 s VAL 235 N 2.43 1.40 -0.53 1.68 1.01 -1.26 -0.88 120.40 124.26 1ig3 s VAL 235 Ca -0.07 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1ig3 s VAL 235 Cb -0.09 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.05 1ig3 s VAL 235 CO -0.19 0.42 0.89 -0.55 0.00 0.00 0.00 175.10 175.67 1ig3 s SER 236 N 0.79 6.35 0.14 3.32 0.15 -1.01 -5.01 113.70 118.43 1ig3 s SER 236 Ca -0.11 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.25 1ig3 s SER 236 Cb -0.16 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1ig3 s SER 236 CO 0.02 -1.14 -0.14 0.42 1.20 0.00 0.00 173.24 173.59 1ig3 s THR 237 N 3.72 1.42 -1.45 6.45 -4.23 -1.26 -1.23 115.64 119.06 1ig3 s THR 237 Ca 0.29 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1ig3 s THR 237 Cb -0.13 -1.66 0.04 0.00 1.34 0.00 0.00 72.50 72.09 1ig3 s THR 237 CO 0.19 -0.46 0.65 -1.20 -0.54 0.00 0.00 174.62 173.27 1ig3 n SER 238 N 0.33 -5.16 -4.91 3.99 7.64 -1.21 -4.97 113.62 109.33 1ig3 n SER 238 Ca -0.14 -0.40 -0.28 0.00 1.01 0.00 0.00 58.87 59.07 1ig3 n SER 238 Cb 0.58 -4.18 0.06 0.00 -1.01 0.00 0.00 64.21 59.66 1ig3 n SER 238 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ig3 s ASN 239 N -2.82 5.08 0.31 6.43 3.04 -0.22 -4.86 114.94 121.89 1ig3 s ASN 239 Ca 0.40 0.79 0.04 0.00 0.04 0.00 0.00 52.86 54.13 1ig3 s ASN 239 Cb -0.19 -1.51 -0.03 0.00 -1.54 0.00 0.00 41.25 37.98 1ig3 s ASN 239 CO 0.49 -1.49 0.28 0.42 -3.04 0.00 0.00 177.10 173.76 1ig3 s THR 240 N -3.31 0.00 0.18 -5.21 -4.23 -1.26 -1.56 115.64 100.24 1ig3 s THR 240 Ca 0.59 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1ig3 s THR 240 Cb -0.11 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1ig3 s THR 240 CO 0.48 0.00 0.39 -0.31 -0.54 0.00 0.00 174.62 174.64 1ig3 s TYR 241 N -3.53 3.48 -2.17 3.99 1.51 -1.26 -0.71 117.35 118.65 1ig3 s TYR 241 Ca 0.39 0.44 0.30 0.00 -1.01 0.00 0.00 57.07 57.19 1ig3 s TYR 241 Cb 0.03 -1.93 1.44 0.00 -0.11 0.00 0.00 41.96 41.39 1ig3 s TYR 241 CO 0.23 0.39 1.96 -0.40 -1.11 0.00 0.00 175.55 176.63 1ig3 n ASP 242 N -0.36 0.73 0.00 2.29 5.75 -0.57 -4.60 116.55 119.79 1ig3 n ASP 242 Ca -0.04 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1ig3 n ASP 242 Cb 0.53 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ig3 n ASP 242 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ig3 n GLY 243 N 1.11 0.88 0.17 6.12 0.00 -1.26 -4.93 105.19 107.29 1ig3 n GLY 243 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1ig3 n GLY 243 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ig3 h SER 244 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.47 113.55 114.43 1ig3 h SER 244 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ig3 h SER 244 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ig3 h SER 244 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ig3 n GLY 245 N 0.62 0.81 2.90 -0.77 0.00 -1.26 -5.03 105.19 102.46 1ig3 n GLY 245 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ig3 n GLY 245 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ig3 s LEU 246 N 0.00 2.01 -0.07 0.99 2.96 -1.26 -1.38 118.68 121.93 1ig3 s LEU 246 Ca 0.00 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1ig3 s LEU 246 Cb 0.00 -0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.61 1ig3 s LEU 246 CO 0.00 0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.20 1ig3 s VAL 247 N -0.08 1.37 0.10 1.68 1.01 -0.35 -4.04 120.40 120.09 1ig3 s VAL 247 Ca 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.45 1ig3 s VAL 247 Cb -0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1ig3 s VAL 247 CO -0.00 0.41 -0.22 0.42 0.00 0.00 0.00 175.10 175.71 1ig3 s THR 248 N 0.53 2.58 -0.08 3.92 -4.23 -0.83 0.08 115.64 117.60 1ig3 s THR 248 Ca -0.15 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 1ig3 s THR 248 Cb -0.16 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1ig3 s THR 248 CO 0.05 0.18 0.20 -0.69 -0.54 0.00 0.00 174.62 173.82 1ig3 s VAL 249 N -1.03 -0.03 -0.07 2.29 1.01 -0.10 -2.49 120.40 119.98 1ig3 s VAL 249 Ca 0.15 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1ig3 s VAL 249 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1ig3 s VAL 249 CO 0.07 0.05 -0.25 -0.70 0.00 0.00 0.00 175.10 174.27 1ig3 s GLU 250 N 0.92 2.64 -0.01 2.72 2.12 0.13 0.38 118.70 127.60 1ig3 s GLU 250 Ca -0.07 -0.89 -0.06 0.00 0.36 0.00 0.00 54.97 54.32 1ig3 s GLU 250 Cb -0.08 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.14 1ig3 s GLU 250 CO -0.05 0.33 0.12 -0.08 -0.54 0.00 0.00 175.26 175.03 1ig3 s THR 251 N -0.04 0.06 -0.14 -1.70 -1.32 -0.67 -1.81 115.64 110.02 1ig3 s THR 251 Ca -0.07 -0.53 0.16 0.00 -1.21 0.00 0.00 61.69 60.04 1ig3 s THR 251 Cb -0.15 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1ig3 s THR 251 CO 0.05 -0.29 1.12 -2.24 -2.21 0.00 0.00 174.62 171.04 1ig3 h ASP 252 N 4.77 0.00 -4.40 8.08 2.03 -1.88 -1.04 116.42 123.98 1ig3 h ASP 252 Ca -0.29 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.68 1ig3 h ASP 252 Cb 1.20 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.55 1ig3 h ASP 252 CO 0.41 0.52 -0.64 -1.00 -1.03 0.00 0.00 179.24 177.49 1ig3 s HIS 253 N -2.96 1.40 0.13 4.15 3.76 -1.26 -4.71 115.29 115.79 1ig3 s HIS 253 Ca 0.00 -1.07 -0.35 0.00 -0.15 0.00 0.00 55.06 53.50 1ig3 s HIS 253 Cb 0.08 -0.81 -0.15 0.00 1.11 0.00 0.00 32.58 32.81 1ig3 s HIS 253 CO 0.78 -0.23 1.50 -2.30 -0.85 0.00 0.00 174.74 173.64 1ig3 n PRO 254 N -0.36 1.80 -4.37 8.40 -0.02 -1.26 -4.40 135.00 134.79 1ig3 n PRO 254 Ca -0.04 0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 61.87 1ig3 n PRO 254 Cb 0.65 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 1ig3 n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ig3 s LEU 255 N 0.85 1.51 -0.30 2.45 2.96 -0.09 -4.72 118.68 121.33 1ig3 s LEU 255 Ca 0.81 -0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 54.28 1ig3 s LEU 255 Cb -0.78 -0.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.29 1ig3 s LEU 255 CO 0.41 -0.01 0.77 -0.22 -1.32 0.00 0.00 176.35 175.99 1ig3 s LEU 256 N 0.75 4.09 0.06 -0.68 2.96 -0.71 0.45 118.68 125.59 1ig3 s LEU 256 Ca -0.13 0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 54.24 1ig3 s LEU 256 Cb -0.15 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.43 1ig3 s LEU 256 CO 0.02 -0.58 0.64 0.86 -1.32 0.00 0.00 176.35 175.97 1ig3 s TRP 257 N 2.89 3.77 0.01 5.38 -0.11 0.33 -0.55 118.94 130.67 1ig3 s TRP 257 Ca 0.32 1.34 0.02 0.00 1.22 0.00 0.00 56.10 59.00 1ig3 s TRP 257 Cb -0.14 -2.63 -0.01 0.00 -1.50 0.00 0.00 33.47 29.18 1ig3 s TRP 257 CO 0.12 0.44 -0.06 -0.08 -4.62 0.00 0.00 176.95 172.75 1ig3 s THR 258 N -0.63 0.47 0.02 5.86 -1.32 -0.62 -1.05 115.64 118.37 1ig3 s THR 258 Ca 0.32 -0.57 -0.12 0.00 -1.21 0.00 0.00 61.69 60.11 1ig3 s THR 258 Cb -0.20 -0.46 0.01 0.00 -1.51 0.00 0.00 72.50 70.35 1ig3 s THR 258 CO 0.20 -0.09 0.26 0.00 -2.21 0.00 0.00 174.62 172.78 1ig3 s MET 259 N -0.72 0.71 0.39 7.08 0.23 -0.83 -0.34 119.30 125.83 1ig3 s MET 259 Ca -0.03 -0.46 -0.22 0.00 -1.03 0.00 0.00 55.69 53.96 1ig3 s MET 259 Cb -0.05 0.30 -0.11 0.00 -1.53 0.00 0.00 34.83 33.45 1ig3 s MET 259 CO 0.00 -0.21 0.93 0.00 -2.03 0.00 0.00 175.02 173.71 1ig3 s ALA 260 N -2.16 3.11 -0.11 3.16 0.00 0.29 -1.96 121.76 124.09 1ig3 s ALA 260 Ca -0.08 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1ig3 s ALA 260 Cb -0.03 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1ig3 s ALA 260 CO -0.01 0.16 -0.18 0.42 0.00 0.00 0.00 175.76 176.15 1ig3 s ILE 261 N -2.02 2.65 0.25 0.00 1.01 -0.04 -0.40 121.20 122.66 1ig3 s ILE 261 Ca 0.58 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 1ig3 s ILE 261 Cb -0.12 -2.07 -0.13 0.00 0.01 0.00 0.00 42.46 40.15 1ig3 s ILE 261 CO 0.16 0.54 1.43 1.17 0.00 0.00 0.00 174.94 178.25 1ig3 n LYS 262 N 3.37 2.12 0.00 2.79 4.81 0.15 -4.48 118.16 126.92 1ig3 n LYS 262 Ca -0.18 0.75 0.10 0.00 -0.87 0.00 0.00 58.31 58.11 1ig3 n LYS 262 Cb 0.53 -2.43 0.61 0.00 0.02 0.00 0.00 35.03 33.76 1ig3 n LYS 262 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44