#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig1 s VAL 3 N 0.00 5.20 0.47 12.58 -7.23 -1.26 -5.07 120.40 125.09 1ig1 s VAL 3 Ca 0.00 0.35 0.07 0.00 -1.81 0.00 0.00 61.98 60.59 1ig1 s VAL 3 Cb 0.00 -3.61 -0.00 0.00 0.56 0.00 0.00 36.38 33.33 1ig1 s VAL 3 CO 0.00 0.37 0.36 -0.36 -0.31 0.00 0.00 175.10 175.16 1ig1 s PHE 4 N -1.30 2.22 0.11 2.82 0.08 -1.26 -5.06 117.98 115.59 1ig1 s PHE 4 Ca 0.29 -0.66 -0.32 0.00 0.12 0.00 0.00 56.93 56.36 1ig1 s PHE 4 Cb -0.14 -2.03 -0.11 0.00 -0.57 0.00 0.00 43.02 40.18 1ig1 s PHE 4 CO 0.16 -0.23 1.82 0.54 -0.10 0.00 0.00 175.22 177.41 1ig1 n ARG 5 N -1.59 2.70 -0.34 0.44 1.74 -1.08 -4.69 116.66 113.84 1ig1 n ARG 5 Ca 0.01 0.98 0.09 0.00 -0.77 0.00 0.00 57.85 58.16 1ig1 n ARG 5 Cb 0.63 -2.86 0.26 0.00 -1.02 0.00 0.00 32.46 29.47 1ig1 n ARG 5 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ig1 n GLN 6 N 5.49 2.99 -2.08 5.56 6.02 -1.26 -0.61 117.38 133.48 1ig1 n GLN 6 Ca 0.18 -2.47 -0.32 0.00 -0.01 0.00 0.00 57.00 54.38 1ig1 n GLN 6 Cb 0.36 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1ig1 n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ig1 s GLU 7 N -1.30 3.47 0.06 -1.09 2.02 -1.26 -4.93 118.70 115.68 1ig1 s GLU 7 Ca 0.38 1.08 -0.31 0.00 0.02 0.00 0.00 54.97 56.15 1ig1 s GLU 7 Cb 0.22 -2.06 -0.09 0.00 0.10 0.00 0.00 34.13 32.30 1ig1 s GLU 7 CO 0.23 -0.68 1.77 1.21 0.02 0.00 0.00 175.26 177.81 1ig1 s ASN 8 N -3.05 6.53 0.49 -0.19 3.84 -1.26 -4.79 114.94 116.51 1ig1 s ASN 8 Ca 0.61 2.57 0.17 0.00 0.21 0.00 0.00 52.86 56.42 1ig1 s ASN 8 Cb -0.14 -2.55 1.21 0.00 -0.55 0.00 0.00 41.25 39.21 1ig1 s ASN 8 CO 0.38 -0.96 2.06 1.62 -2.79 0.00 0.00 177.10 177.41 1ig1 h VAL 9 N 5.02 0.92 0.00 -5.21 3.04 -1.94 -1.01 116.25 117.07 1ig1 h VAL 9 Ca -0.45 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1ig1 h VAL 9 Cb 1.21 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1ig1 h VAL 9 CO 0.94 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 178.00 1ig1 n ASP 10 N -4.47 0.57 0.05 3.17 8.00 -1.26 -1.26 116.55 121.35 1ig1 n ASP 10 Ca 0.04 0.69 0.13 0.00 0.71 0.00 0.00 54.79 56.36 1ig1 n ASP 10 Cb 0.29 -0.79 0.40 0.00 -0.02 0.00 0.00 41.12 41.00 1ig1 n ASP 10 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ig1 n ASP 11 N -2.18 0.51 0.00 -2.24 8.00 -0.38 -4.03 116.55 116.23 1ig1 n ASP 11 Ca 0.01 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1ig1 n ASP 11 Cb 0.14 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1ig1 n ASP 11 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ig1 n TYR 12 N -1.91 0.00 -4.03 1.24 4.01 -0.67 -4.97 117.16 110.84 1ig1 n TYR 12 Ca 0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.70 1ig1 n TYR 12 Cb 0.39 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.32 1ig1 n TYR 12 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1ig1 s TYR 13 N -1.23 0.43 -0.11 -0.72 2.02 -0.39 -0.69 117.35 116.66 1ig1 s TYR 13 Ca 0.00 -0.65 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 1ig1 s TYR 13 Cb 0.00 -0.29 -0.01 0.00 -0.40 0.00 0.00 41.96 41.26 1ig1 s TYR 13 CO 0.00 -0.20 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.08 1ig1 s ASP 14 N -1.86 3.53 0.23 2.29 1.01 -0.31 -4.35 116.67 117.22 1ig1 s ASP 14 Ca -0.09 -0.44 0.04 0.00 0.71 0.00 0.00 52.55 52.77 1ig1 s ASP 14 Cb -0.06 -1.46 -0.03 0.00 1.01 0.00 0.00 42.92 42.38 1ig1 s ASP 14 CO -0.03 0.17 0.37 0.42 0.21 0.00 0.00 175.17 176.32 1ig1 s THR 15 N 0.29 5.25 0.00 -1.27 -4.23 -1.26 -0.12 115.64 114.30 1ig1 s THR 15 Ca -0.14 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1ig1 s THR 15 Cb -0.17 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1ig1 s THR 15 CO 0.07 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1ig1 n GLY 16 N -1.25 4.83 3.62 3.99 0.00 0.13 -4.95 105.19 111.57 1ig1 n GLY 16 Ca -0.08 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 1ig1 n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ig1 n GLU 17 N 0.00 1.52 -2.85 1.61 2.13 -1.26 -4.53 120.64 117.27 1ig1 n GLU 17 Ca 0.00 0.54 -0.41 0.00 0.66 0.00 0.00 57.16 57.94 1ig1 n GLU 17 Cb 0.00 -2.03 -0.04 0.00 0.27 0.00 0.00 31.44 29.64 1ig1 n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ig1 s GLU 18 N -1.81 4.38 -0.05 5.31 2.12 -1.26 -0.32 118.70 127.07 1ig1 s GLU 18 Ca 0.60 1.12 0.04 0.00 0.36 0.00 0.00 54.97 57.09 1ig1 s GLU 18 Cb -0.61 -3.53 -0.25 0.00 0.26 0.00 0.00 34.13 30.00 1ig1 s GLU 18 CO 0.59 -0.22 0.62 -0.07 -0.54 0.00 0.00 175.26 175.64 1ig1 h LEU 19 N 7.80 0.18 -7.53 2.70 3.38 -0.61 -3.47 115.31 117.76 1ig1 h LEU 19 Ca -0.33 -0.37 0.30 0.00 0.09 0.00 0.00 57.88 57.58 1ig1 h LEU 19 Cb 1.16 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 1ig1 h LEU 19 CO 0.82 1.32 0.80 -0.83 0.09 0.00 0.00 178.44 180.64 1ig1 s GLY 20 N -5.22 -0.27 0.09 0.83 0.00 -1.08 -5.00 107.32 96.68 1ig1 s GLY 20 Ca -0.10 0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.90 1ig1 s GLY 20 CO 0.81 1.85 0.18 -0.45 0.00 0.00 0.00 173.10 175.49 1ig1 s SER 21 N -3.25 0.14 0.33 1.64 0.15 -1.26 -0.37 113.70 111.09 1ig1 s SER 21 Ca 0.19 -0.69 0.04 0.00 0.70 0.00 0.00 55.95 56.19 1ig1 s SER 21 Cb 0.02 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1ig1 s SER 21 CO -0.02 -0.73 0.34 -0.83 1.20 0.00 0.00 173.24 173.21 1ig1 s GLY 22 N -2.87 2.03 0.36 9.45 0.00 0.32 -4.96 107.32 111.65 1ig1 s GLY 22 Ca 0.06 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 42.93 1ig1 s GLY 22 CO -0.10 -1.31 2.02 -1.61 0.00 0.00 0.00 173.10 172.09 1ig1 h GLN 23 N 2.14 0.77 0.00 2.90 4.15 -2.02 -3.17 115.11 119.88 1ig1 h GLN 23 Ca -0.26 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1ig1 h GLN 23 Cb 1.23 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1ig1 h GLN 23 CO 0.38 0.52 -0.06 1.19 -1.93 0.00 0.00 178.83 178.92 1ig1 n PHE 24 N -4.44 0.00 -3.80 3.99 3.72 -1.26 -4.98 117.46 110.68 1ig1 n PHE 24 Ca 0.06 -0.52 -0.11 0.00 -0.05 0.00 0.00 57.45 56.82 1ig1 n PHE 24 Cb 0.05 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.43 1ig1 n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ig1 s ALA 25 N -1.33 -0.54 -0.02 4.37 0.00 -1.20 -1.26 121.76 121.78 1ig1 s ALA 25 Ca 0.11 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1ig1 s ALA 25 Cb 0.09 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1ig1 s ALA 25 CO 0.01 -0.34 -0.06 0.54 0.00 0.00 0.00 175.76 175.91 1ig1 s VAL 26 N -2.18 0.55 -0.12 0.00 0.11 -0.89 0.12 120.40 117.99 1ig1 s VAL 26 Ca -0.08 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1ig1 s VAL 26 Cb -0.03 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1ig1 s VAL 26 CO -0.01 0.18 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.08 1ig1 s VAL 27 N 0.15 2.78 -0.01 2.04 1.01 0.50 -0.64 120.40 126.23 1ig1 s VAL 27 Ca -0.02 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1ig1 s VAL 27 Cb -0.06 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1ig1 s VAL 27 CO -0.00 0.53 -0.13 -0.54 0.00 0.00 0.00 175.10 174.97 1ig1 s LYS 28 N 0.33 1.03 0.42 2.72 1.02 -0.19 0.18 119.74 125.25 1ig1 s LYS 28 Ca -0.13 -0.45 -0.25 0.00 0.02 0.00 0.00 55.97 55.16 1ig1 s LYS 28 Cb -0.16 -0.99 -0.08 0.00 -0.52 0.00 0.00 37.83 36.07 1ig1 s LYS 28 CO 0.07 0.27 1.28 0.15 -0.92 0.00 0.00 175.35 176.20 1ig1 s LYS 29 N -0.28 3.88 0.17 1.68 1.02 0.57 -0.49 119.74 126.29 1ig1 s LYS 29 Ca 0.05 2.10 -0.07 0.00 0.02 0.00 0.00 55.97 58.07 1ig1 s LYS 29 Cb -0.05 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1ig1 s LYS 29 CO -0.00 -0.54 0.24 0.00 -0.92 0.00 0.00 175.35 174.12 1ig1 s ARG 31 N -4.02 1.09 0.07 0.00 3.52 0.83 -1.18 118.95 119.27 1ig1 s ARG 31 Ca 0.23 -0.11 -0.31 0.00 -0.13 0.00 0.00 55.73 55.41 1ig1 s ARG 31 Cb 0.04 -1.21 -0.06 0.00 -1.56 0.00 0.00 34.95 32.16 1ig1 s ARG 31 CO 0.03 -0.22 1.24 -2.00 -0.81 0.00 0.00 175.30 173.55 1ig1 s GLU 32 N 1.56 4.41 0.24 5.12 2.12 -0.35 -1.16 118.70 130.64 1ig1 s GLU 32 Ca 0.00 1.84 -0.04 0.00 0.36 0.00 0.00 54.97 57.13 1ig1 s GLU 32 Cb -0.13 -3.32 0.26 0.00 0.26 0.00 0.00 34.13 31.20 1ig1 s GLU 32 CO -0.05 -0.30 1.75 0.87 -0.54 0.00 0.00 175.26 177.00 1ig1 h LYS 33 N 6.79 0.92 0.00 4.30 1.57 -1.25 0.12 116.57 129.03 1ig1 h LYS 33 Ca -0.42 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.11 1ig1 h LYS 33 Cb 1.21 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1ig1 h LYS 33 CO 0.82 0.87 -0.09 0.66 -0.57 0.00 0.00 179.45 181.15 1ig1 h SER 34 N 0.87 0.00 0.00 0.86 4.64 -1.92 -3.36 113.55 114.64 1ig1 h SER 34 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ig1 h SER 34 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ig1 h SER 34 CO 0.01 0.09 -0.63 0.35 -0.87 0.00 0.00 176.83 175.78 1ig1 n THR 35 N -3.18 0.00 -0.94 2.95 -2.24 -1.19 -5.00 114.28 104.67 1ig1 n THR 35 Ca 0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ig1 n THR 35 Cb 0.40 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1ig1 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ig1 n GLY 36 N 1.72 0.82 3.80 3.38 0.00 0.42 -5.00 105.19 110.33 1ig1 n GLY 36 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ig1 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ig1 s LEU 37 N 0.00 3.99 0.01 0.99 1.43 -1.25 -4.75 118.68 119.09 1ig1 s LEU 37 Ca 0.00 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1ig1 s LEU 37 Cb 0.00 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 1ig1 s LEU 37 CO 0.00 -0.47 0.16 -1.10 0.23 0.00 0.00 176.35 175.17 1ig1 s GLN 38 N -2.97 3.35 0.32 1.70 -0.21 -1.26 -1.22 119.66 119.37 1ig1 s GLN 38 Ca 0.62 -0.39 0.03 0.00 0.02 0.00 0.00 55.36 55.64 1ig1 s GLN 38 Cb -0.14 -3.03 -0.02 0.00 1.00 0.00 0.00 33.01 30.82 1ig1 s GLN 38 CO 0.18 0.65 0.34 0.71 -2.12 0.00 0.00 175.29 175.05 1ig1 s TYR 39 N -1.34 1.45 -0.24 0.91 2.02 -0.32 -4.34 117.35 115.48 1ig1 s TYR 39 Ca 0.28 -1.50 0.01 0.00 -0.37 0.00 0.00 57.07 55.49 1ig1 s TYR 39 Cb -0.13 -0.47 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1ig1 s TYR 39 CO 0.20 -0.95 -0.11 0.00 -1.57 0.00 0.00 175.55 173.12 1ig1 s ALA 40 N -3.37 2.57 -0.36 3.71 0.00 0.43 -1.12 121.76 123.62 1ig1 s ALA 40 Ca 0.37 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 1ig1 s ALA 40 Cb 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1ig1 s ALA 40 CO 0.24 -0.86 0.53 0.00 0.00 0.00 0.00 175.76 175.67 1ig1 s ALA 41 N 1.24 3.46 -0.41 0.00 0.00 0.35 0.01 121.76 126.42 1ig1 s ALA 41 Ca -0.02 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 1ig1 s ALA 41 Cb -0.17 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1ig1 s ALA 41 CO -0.07 -1.30 0.39 0.21 0.00 0.00 0.00 175.76 174.99 1ig1 s LYS 42 N 2.45 3.14 -0.35 0.00 2.20 0.39 -1.02 119.74 126.54 1ig1 s LYS 42 Ca 0.19 -0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 54.84 1ig1 s LYS 42 Cb -0.15 -3.94 -0.00 0.00 -1.51 0.00 0.00 37.83 32.22 1ig1 s LYS 42 CO 0.14 -0.77 0.57 -0.06 -0.36 0.00 0.00 175.35 174.86 1ig1 s PHE 43 N 2.00 3.17 -0.20 4.03 0.40 0.19 -0.96 117.98 126.61 1ig1 s PHE 43 Ca 0.10 0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 56.62 1ig1 s PHE 43 Cb -0.17 -3.02 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 1ig1 s PHE 43 CO 0.12 -0.58 0.03 0.42 0.70 0.00 0.00 175.22 175.91 1ig1 s ILE 44 N 2.53 4.27 0.04 0.64 1.01 -0.08 -2.10 121.20 127.51 1ig1 s ILE 44 Ca 0.21 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 1ig1 s ILE 44 Cb -0.15 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 1ig1 s ILE 44 CO 0.14 0.42 1.27 -0.75 0.00 0.00 0.00 174.94 176.03 1ig1 s LYS 45 N 0.89 4.37 0.50 2.79 2.47 -0.39 -1.49 119.74 128.88 1ig1 s LYS 45 Ca 0.02 1.85 -0.10 0.00 -1.56 0.00 0.00 55.97 56.18 1ig1 s LYS 45 Cb -0.14 -3.41 -0.05 0.00 -1.46 0.00 0.00 37.83 32.77 1ig1 s LYS 45 CO 0.02 -0.39 0.87 0.15 0.16 0.00 0.00 175.35 176.16 1ig1 s LYS 46 N 1.54 3.68 0.23 4.03 1.02 -0.16 -0.03 119.74 130.04 1ig1 s LYS 46 Ca 0.60 0.52 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 1ig1 s LYS 46 Cb -0.30 -2.27 -0.09 0.00 -0.52 0.00 0.00 37.83 34.65 1ig1 s LYS 46 CO 0.28 -0.25 0.96 1.03 -0.92 0.00 0.00 175.35 176.44 1ig1 s ARG 47 N -4.49 4.82 0.27 1.68 0.52 -1.13 -4.46 118.95 116.16 1ig1 s ARG 47 Ca 0.52 1.51 0.23 0.00 -0.52 0.00 0.00 55.73 57.48 1ig1 s ARG 47 Cb -0.10 -3.28 0.24 0.00 0.52 0.00 0.00 34.95 32.32 1ig1 s ARG 47 CO 0.41 0.45 1.34 0.07 0.02 0.00 0.00 175.30 177.60 1ig1 h ARG 48 N 4.31 0.00 -4.02 3.54 0.11 -1.95 -3.47 114.38 112.90 1ig1 h ARG 48 Ca -0.45 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.51 1ig1 h ARG 48 Cb 1.20 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.15 1ig1 h ARG 48 CO 0.68 0.00 -0.40 0.95 0.10 0.00 0.00 179.97 181.30 1ig1 s THR 49 N -3.26 0.08 0.16 0.08 -4.23 -1.26 -5.06 115.64 102.14 1ig1 s THR 49 Ca 0.04 -1.52 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 1ig1 s THR 49 Cb 0.09 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 72.08 1ig1 s THR 49 CO 0.72 -0.35 1.66 0.11 -0.54 0.00 0.00 174.62 176.22 1ig1 h LYS 50 N 2.63 0.87 -3.47 3.99 1.57 -2.02 -3.33 116.57 116.82 1ig1 h LYS 50 Ca -0.33 -0.22 -0.80 0.00 -1.87 0.00 0.00 60.65 57.44 1ig1 h LYS 50 Cb 1.22 -0.11 -0.28 0.00 0.08 0.00 0.00 32.23 33.14 1ig1 h LYS 50 CO 0.51 0.83 0.49 -1.13 -0.57 0.00 0.00 179.45 179.59 1ig1 n SER 51 N -4.40 5.63 -3.89 0.86 3.41 -1.26 -4.99 113.62 108.99 1ig1 n SER 51 Ca 0.02 -3.09 -0.10 0.00 -0.26 0.00 0.00 58.87 55.43 1ig1 n SER 51 Cb 0.24 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 62.74 1ig1 n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ig1 s SER 52 N 0.85 0.08 -0.15 4.04 0.15 -1.25 -5.04 113.70 112.37 1ig1 s SER 52 Ca 0.31 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.73 1ig1 s SER 52 Cb -0.08 0.23 -0.23 0.00 -1.71 0.00 0.00 66.02 64.23 1ig1 s SER 52 CO -0.06 -0.46 0.23 0.54 1.20 0.00 0.00 173.24 174.70 1ig1 n ARG 53 N 1.04 0.67 -2.26 5.44 1.74 -1.26 -4.93 116.66 117.10 1ig1 n ARG 53 Ca -0.21 0.12 -0.40 0.00 -0.77 0.00 0.00 57.85 56.60 1ig1 n ARG 53 Cb 0.57 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 1ig1 n ARG 53 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ig1 s ARG 54 N -2.53 4.36 0.00 5.56 0.52 -1.26 -4.83 118.95 120.76 1ig1 s ARG 54 Ca -0.13 2.01 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 1ig1 s ARG 54 Cb 0.07 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1ig1 s ARG 54 CO 0.79 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.42 1ig1 n GLY 55 N 0.87 -1.58 3.49 -3.53 0.00 -1.26 -4.39 105.19 98.80 1ig1 n GLY 55 Ca 0.01 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1ig1 n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ig1 s VAL 56 N -1.48 3.46 0.62 1.61 1.01 0.95 -4.71 120.40 121.86 1ig1 s VAL 56 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1ig1 s VAL 56 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1ig1 s VAL 56 CO 0.00 0.56 1.25 -0.94 0.00 0.00 0.00 175.10 175.96 1ig1 s SER 57 N -0.25 4.94 0.26 3.32 1.04 -1.26 -2.85 113.70 118.90 1ig1 s SER 57 Ca 0.03 2.49 -0.02 0.00 0.48 0.00 0.00 55.95 58.93 1ig1 s SER 57 Cb -0.13 -2.61 0.48 0.00 0.10 0.00 0.00 66.02 63.87 1ig1 s SER 57 CO 0.03 -1.77 1.81 -0.09 0.98 0.00 0.00 173.24 174.20 1ig1 h ARG 58 N 0.75 0.81 -0.53 4.02 9.65 -1.98 -1.25 114.38 125.84 1ig1 h ARG 58 Ca -0.51 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.34 1ig1 h ARG 58 Cb 1.32 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 1ig1 h ARG 58 CO 0.54 0.54 0.33 1.49 2.80 0.00 0.00 179.97 185.67 1ig1 h GLU 59 N 0.83 0.64 -0.15 0.20 4.81 -1.99 0.59 114.58 119.51 1ig1 h GLU 59 Ca 0.45 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.52 1ig1 h GLU 59 Cb 0.47 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1ig1 h GLU 59 CO -0.28 0.42 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.55 1ig1 h ASP 60 N 0.66 0.39 -0.16 1.04 3.32 -1.67 -1.80 116.42 118.19 1ig1 h ASP 60 Ca 0.21 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1ig1 h ASP 60 Cb -0.01 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1ig1 h ASP 60 CO -0.08 0.78 -0.21 0.40 -1.72 0.00 0.00 179.24 178.41 1ig1 h ILE 61 N 0.30 1.35 -0.09 0.35 2.04 -0.83 -2.72 117.51 117.92 1ig1 h ILE 61 Ca 0.02 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 1ig1 h ILE 61 Cb 0.90 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1ig1 h ILE 61 CO 0.07 0.42 -0.14 -0.33 0.00 0.00 0.00 178.15 178.18 1ig1 h GLU 62 N 0.05 0.13 -0.22 2.37 5.08 -0.84 -1.41 114.58 119.74 1ig1 h GLU 62 Ca 0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ig1 h GLU 62 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1ig1 h GLU 62 CO 0.05 0.28 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.22 1ig1 h ARG 63 N 0.13 0.41 -0.58 2.33 2.43 -1.25 0.70 114.38 118.56 1ig1 h ARG 63 Ca 0.03 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1ig1 h ARG 63 Cb 0.33 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1ig1 h ARG 63 CO 0.02 0.63 0.34 1.49 -1.51 0.00 0.00 179.97 180.94 1ig1 h GLU 64 N 0.16 0.79 -0.38 0.20 4.81 -1.13 -1.39 114.58 117.65 1ig1 h GLU 64 Ca 0.06 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1ig1 h GLU 64 Cb 0.46 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1ig1 h GLU 64 CO 0.02 0.58 0.12 0.28 -0.73 0.00 0.00 179.01 179.28 1ig1 h VAL 65 N 0.78 1.21 -0.82 0.32 2.07 -1.15 -1.23 116.25 117.43 1ig1 h VAL 65 Ca 0.21 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1ig1 h VAL 65 Cb 0.00 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1ig1 h VAL 65 CO -0.04 0.24 0.53 -1.28 0.02 0.00 0.00 177.57 177.04 1ig1 h SER 66 N 0.46 0.94 -0.13 0.57 0.87 -0.61 -0.09 113.55 115.56 1ig1 h SER 66 Ca 0.12 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1ig1 h SER 66 Cb 0.24 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ig1 h SER 66 CO -0.01 0.69 -0.04 0.40 -0.53 0.00 0.00 176.83 177.35 1ig1 h ILE 67 N 1.11 1.30 -0.96 2.23 1.08 -1.14 -3.12 117.51 118.01 1ig1 h ILE 67 Ca 0.30 -1.02 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 1ig1 h ILE 67 Cb -0.11 1.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.29 1ig1 h ILE 67 CO -0.06 0.29 0.63 -0.07 -0.69 0.00 0.00 178.15 178.25 1ig1 h LEU 68 N -0.07 1.02 -1.88 1.44 3.38 -0.93 -2.09 115.31 116.18 1ig1 h LEU 68 Ca 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ig1 h LEU 68 Cb 0.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ig1 h LEU 68 CO 0.01 0.68 -0.13 0.11 0.09 0.00 0.00 178.44 179.21 1ig1 h LYS 69 N 1.17 0.00 0.00 1.13 1.57 -0.97 -2.90 116.57 116.57 1ig1 h LYS 69 Ca 0.39 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.12 1ig1 h LYS 69 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ig1 h LYS 69 CO -0.13 0.13 -0.55 1.49 -0.57 0.00 0.00 179.45 179.82 1ig1 h GLU 70 N 0.00 0.00 -6.13 3.15 4.81 -1.32 -3.47 114.58 111.61 1ig1 h GLU 70 Ca -0.00 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 1ig1 h GLU 70 Cb 0.29 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1ig1 h GLU 70 CO 0.02 0.18 -0.15 0.96 -0.73 0.00 0.00 179.01 179.28 1ig1 s ILE 71 N -3.14 4.95 -0.28 2.32 -4.36 -1.09 -5.05 121.20 114.54 1ig1 s ILE 71 Ca 0.03 0.85 0.02 0.00 -0.26 0.00 0.00 60.65 61.29 1ig1 s ILE 71 Cb 0.07 -3.74 0.17 0.00 1.25 0.00 0.00 42.46 40.21 1ig1 s ILE 71 CO 0.74 0.46 0.49 -1.58 0.24 0.00 0.00 174.94 175.29 1ig1 s GLN 72 N -1.40 0.47 -0.10 0.37 2.00 -1.26 -4.73 119.66 115.01 1ig1 s GLN 72 Ca 0.29 0.49 -0.29 0.00 -2.00 0.00 0.00 55.36 53.85 1ig1 s GLN 72 Cb -0.16 -0.01 0.07 0.00 0.80 0.00 0.00 33.01 33.70 1ig1 s GLN 72 CO 0.16 -0.89 0.68 -1.58 -0.50 0.00 0.00 175.29 173.16 1ig1 s HIS 73 N 2.69 -0.68 0.49 1.67 2.46 -1.26 -5.05 115.29 115.61 1ig1 s HIS 73 Ca 0.12 1.30 0.23 0.00 0.47 0.00 0.00 55.06 57.18 1ig1 s HIS 73 Cb -0.13 0.37 1.29 0.00 -0.13 0.00 0.00 32.58 33.98 1ig1 s HIS 73 CO -0.25 -0.55 1.95 -1.35 -2.47 0.00 0.00 174.74 172.07 1ig1 h PRO 74 N 3.51 0.15 -0.62 2.88 0.11 -1.99 -2.38 132.00 133.65 1ig1 h PRO 74 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ig1 h PRO 74 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ig1 h PRO 74 CO 0.31 0.10 0.00 0.09 -0.21 0.00 0.00 178.00 178.29 1ig1 n ASN 75 N -4.40 5.27 -4.06 -2.05 5.03 -1.26 -4.73 115.26 109.05 1ig1 n ASN 75 Ca 0.13 -2.68 -0.13 0.00 0.87 0.00 0.00 54.58 52.78 1ig1 n ASN 75 Cb 0.64 -0.63 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 1ig1 n ASN 75 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1ig1 s VAL 76 N -2.28 0.51 0.54 2.41 -7.23 -0.90 -0.62 120.40 112.83 1ig1 s VAL 76 Ca 0.53 -1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 59.43 1ig1 s VAL 76 Cb 0.37 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.64 1ig1 s VAL 76 CO 0.21 -0.41 1.05 -0.51 -0.31 0.00 0.00 175.10 175.13 1ig1 s ILE 77 N -1.47 3.78 0.19 -0.62 -1.16 -0.95 -4.50 121.20 116.48 1ig1 s ILE 77 Ca -0.10 0.98 0.10 0.00 -0.51 0.00 0.00 60.65 61.12 1ig1 s ILE 77 Cb -0.09 -3.42 -0.04 0.00 0.61 0.00 0.00 42.46 39.52 1ig1 s ILE 77 CO 0.00 -0.36 -0.14 0.42 -2.81 0.00 0.00 174.94 172.05 1ig1 s THR 78 N -2.19 2.90 -0.20 4.00 -4.23 -1.26 -4.86 115.64 109.80 1ig1 s THR 78 Ca 0.66 -1.83 -0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1ig1 s THR 78 Cb -0.16 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1ig1 s THR 78 CO 0.28 -0.14 0.28 -0.22 -0.54 0.00 0.00 174.62 174.28 1ig1 s LEU 79 N -2.87 4.17 -0.21 4.79 2.96 -1.26 -0.85 118.68 125.42 1ig1 s LEU 79 Ca 0.24 0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 54.34 1ig1 s LEU 79 Cb -0.08 -2.32 -0.14 0.00 0.50 0.00 0.00 46.19 44.14 1ig1 s LEU 79 CO 0.14 0.03 0.01 1.57 -1.32 0.00 0.00 176.35 176.78 1ig1 n HIS 80 N 4.13 0.77 -3.90 5.38 -0.00 0.58 -4.95 115.22 117.22 1ig1 n HIS 80 Ca -0.12 0.33 -0.09 0.00 -0.00 0.00 0.00 57.72 57.85 1ig1 n HIS 80 Cb 0.52 -0.99 -0.05 0.00 -0.00 0.00 0.00 29.99 29.46 1ig1 n HIS 80 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ig1 s GLU 81 N -2.39 1.47 -0.04 1.57 2.02 -1.11 -5.01 118.70 115.20 1ig1 s GLU 81 Ca -0.28 -1.10 -0.01 0.00 0.02 0.00 0.00 54.97 53.60 1ig1 s GLU 81 Cb 0.07 0.49 0.03 0.00 0.10 0.00 0.00 34.13 34.81 1ig1 s GLU 81 CO 0.50 -0.61 0.02 0.08 0.02 0.00 0.00 175.26 175.27 1ig1 s VAL 82 N -3.96 0.10 0.39 2.63 1.01 -1.26 -0.37 120.40 118.94 1ig1 s VAL 82 Ca 0.17 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1ig1 s VAL 82 Cb -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 1ig1 s VAL 82 CO 0.04 0.17 0.01 -0.31 0.00 0.00 0.00 175.10 175.01 1ig1 s TYR 83 N 1.58 2.51 0.03 5.22 1.51 0.14 -2.63 117.35 125.70 1ig1 s TYR 83 Ca -0.02 -0.60 -0.27 0.00 -1.01 0.00 0.00 57.07 55.17 1ig1 s TYR 83 Cb -0.13 -1.69 0.08 0.00 -0.11 0.00 0.00 41.96 40.12 1ig1 s TYR 83 CO -0.03 0.45 0.72 -1.83 -1.11 0.00 0.00 175.55 173.75 1ig1 s GLU 84 N -3.71 1.05 0.07 -0.62 -1.05 0.22 0.84 118.70 115.49 1ig1 s GLU 84 Ca 0.35 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1ig1 s GLU 84 Cb 0.07 0.49 -0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1ig1 s GLU 84 CO 0.18 -0.41 0.08 0.27 0.95 0.00 0.00 175.26 176.33 1ig1 n ASN 85 N 0.16 -0.22 -0.23 0.83 0.23 -0.13 -4.29 115.26 111.61 1ig1 n ASN 85 Ca -0.15 -1.38 0.14 0.00 -0.53 0.00 0.00 54.58 52.65 1ig1 n ASN 85 Cb 0.61 0.43 0.43 0.00 -2.08 0.00 0.00 39.78 39.17 1ig1 n ASN 85 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1ig1 h LYS 86 N 0.00 0.56 0.00 -3.83 1.79 -2.02 -3.26 116.57 109.82 1ig1 h LYS 86 Ca -0.05 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.08 1ig1 h LYS 86 Cb 0.23 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.69 1ig1 h LYS 86 CO 0.07 0.37 -2.26 0.25 -1.08 0.00 0.00 179.45 176.81 1ig1 n THR 87 N -4.53 1.16 -4.14 -0.16 -2.24 -1.26 -4.87 114.28 98.23 1ig1 n THR 87 Ca 0.16 -0.77 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1ig1 n THR 87 Cb 0.50 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 1ig1 n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ig1 s ASP 88 N -5.22 0.76 -0.11 3.42 1.01 -1.23 -0.99 116.67 114.31 1ig1 s ASP 88 Ca -0.09 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.12 1ig1 s ASP 88 Cb 0.06 0.17 -0.02 0.00 1.01 0.00 0.00 42.92 44.14 1ig1 s ASP 88 CO 0.78 -0.57 -0.12 -0.69 0.21 0.00 0.00 175.17 174.78 1ig1 s VAL 89 N -3.81 3.16 -0.28 -1.27 1.01 -0.55 -0.95 120.40 117.71 1ig1 s VAL 89 Ca 0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ig1 s VAL 89 Cb 0.07 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 34.18 1ig1 s VAL 89 CO -0.05 0.54 -0.02 -0.63 0.00 0.00 0.00 175.10 174.94 1ig1 s ILE 90 N 0.03 2.96 -0.24 2.22 1.09 0.25 -0.91 121.20 126.59 1ig1 s ILE 90 Ca -0.04 -1.22 -0.18 0.00 -1.10 0.00 0.00 60.65 58.12 1ig1 s ILE 90 Cb -0.14 -2.62 -0.03 0.00 -1.06 0.00 0.00 42.46 38.61 1ig1 s ILE 90 CO 0.04 0.03 0.50 -0.76 -0.10 0.00 0.00 174.94 174.64 1ig1 s LEU 91 N 1.29 4.08 -0.55 2.97 1.43 -0.14 -0.68 118.68 127.08 1ig1 s LEU 91 Ca -0.03 0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 1ig1 s LEU 91 Cb -0.18 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1ig1 s LEU 91 CO -0.02 -0.24 0.77 -0.63 0.23 0.00 0.00 176.35 176.45 1ig1 s ILE 92 N 2.07 4.66 0.23 -0.59 -1.09 0.50 -0.46 121.20 126.52 1ig1 s ILE 92 Ca 0.21 -0.33 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1ig1 s ILE 92 Cb -0.16 -4.44 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 1ig1 s ILE 92 CO 0.09 -1.01 0.24 -0.76 -1.23 0.00 0.00 174.94 172.27 1ig1 s LEU 93 N 3.18 3.99 0.30 2.97 1.43 0.10 -0.31 118.68 130.35 1ig1 s LEU 93 Ca 0.20 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 1ig1 s LEU 93 Cb -0.18 -2.53 -0.11 0.00 0.03 0.00 0.00 46.19 43.40 1ig1 s LEU 93 CO 0.13 -0.03 1.60 1.21 0.23 0.00 0.00 176.35 179.49 1ig1 n GLU 94 N -1.11 2.74 -2.82 1.70 2.13 -0.03 -0.43 120.64 122.82 1ig1 n GLU 94 Ca -0.08 0.97 -0.41 0.00 0.66 0.00 0.00 57.16 58.31 1ig1 n GLU 94 Cb 0.57 -2.76 -0.05 0.00 0.27 0.00 0.00 31.44 29.47 1ig1 n GLU 94 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1ig1 s LEU 95 N -0.59 4.49 -0.29 4.31 2.96 -1.26 -4.47 118.68 123.83 1ig1 s LEU 95 Ca 0.63 1.69 0.02 0.00 -0.22 0.00 0.00 54.13 56.25 1ig1 s LEU 95 Cb -0.49 -3.47 0.08 0.00 0.50 0.00 0.00 46.19 42.82 1ig1 s LEU 95 CO 0.49 -0.02 0.02 -0.69 -1.32 0.00 0.00 176.35 174.83 1ig1 s VAL 96 N -0.12 1.73 -1.79 1.68 1.01 -1.26 -4.99 120.40 116.66 1ig1 s VAL 96 Ca 0.44 -1.74 0.16 0.00 0.00 0.00 0.00 61.98 60.84 1ig1 s VAL 96 Cb -0.23 -2.16 0.50 0.00 0.00 0.00 0.00 36.38 34.50 1ig1 s VAL 96 CO 0.28 -0.42 1.41 0.00 0.00 0.00 0.00 175.10 176.37 1ig1 n ALA 97 N 4.53 2.56 0.16 5.51 0.00 -1.26 -4.29 120.51 127.71 1ig1 n ALA 97 Ca -0.04 -1.02 0.10 0.00 0.00 0.00 0.00 53.44 52.48 1ig1 n ALA 97 Cb 0.43 -0.97 0.27 0.00 0.00 0.00 0.00 19.45 19.17 1ig1 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ig1 n GLY 98 N 1.25 1.76 0.07 0.00 0.00 0.15 -4.88 105.19 103.55 1ig1 n GLY 98 Ca 0.19 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1ig1 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ig1 n GLY 99 N 1.47 -1.71 3.78 -0.02 0.00 -1.24 -4.29 105.19 103.18 1ig1 n GLY 99 Ca 0.20 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1ig1 n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ig1 s GLU 100 N -1.67 4.11 0.43 1.61 2.02 -1.26 -1.30 118.70 122.64 1ig1 s GLU 100 Ca 0.00 1.58 0.11 0.00 0.02 0.00 0.00 54.97 56.68 1ig1 s GLU 100 Cb 0.00 -2.55 0.95 0.00 0.10 0.00 0.00 34.13 32.63 1ig1 s GLU 100 CO 0.00 -0.20 2.03 1.25 0.02 0.00 0.00 175.26 178.36 1ig1 h LEU 101 N 2.48 0.24 -0.53 1.80 5.85 -0.64 -1.37 115.31 123.14 1ig1 h LEU 101 Ca -0.48 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.28 1ig1 h LEU 101 Cb 1.22 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1ig1 h LEU 101 CO 0.62 0.26 0.21 0.15 -0.34 0.00 0.00 178.44 179.33 1ig1 h PHE 102 N 0.27 0.36 -0.02 1.25 3.57 -1.68 0.36 116.94 121.05 1ig1 h PHE 102 Ca 0.07 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.43 1ig1 h PHE 102 Cb 0.12 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1ig1 h PHE 102 CO 0.00 0.12 -0.73 -0.44 -2.23 0.00 0.00 178.31 175.04 1ig1 h ASP 103 N 0.40 0.19 -0.34 0.41 3.32 -1.61 -2.23 116.42 116.56 1ig1 h ASP 103 Ca 0.26 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1ig1 h ASP 103 Cb 0.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ig1 h ASP 103 CO -0.25 0.85 0.08 0.15 -1.72 0.00 0.00 179.24 178.36 1ig1 h PHE 104 N 0.10 0.58 -0.32 4.55 3.04 -0.70 -2.57 116.94 121.62 1ig1 h PHE 104 Ca -0.02 -0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.78 1ig1 h PHE 104 Cb 1.29 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.62 1ig1 h PHE 104 CO 0.02 0.59 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.70 1ig1 h LEU 105 N 0.40 0.53 -1.59 0.59 3.38 -0.92 -2.47 115.31 115.24 1ig1 h LEU 105 Ca 0.11 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1ig1 h LEU 105 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ig1 h LEU 105 CO 0.00 0.69 -0.22 0.00 0.09 0.00 0.00 178.44 179.00 1ig1 h ALA 106 N 1.37 1.53 0.00 1.53 0.00 -1.12 -0.57 119.26 122.01 1ig1 h ALA 106 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ig1 h ALA 106 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ig1 h ALA 106 CO 0.03 0.27 -0.78 0.39 0.00 0.00 0.00 179.25 179.16 1ig1 n GLU 107 N -4.12 0.34 0.00 0.00 1.02 -0.96 -4.25 120.64 112.66 1ig1 n GLU 107 Ca -0.02 0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1ig1 n GLU 107 Cb 0.28 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 1ig1 n GLU 107 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ig1 n LYS 108 N -2.16 4.13 0.00 3.49 5.02 -0.99 -5.03 118.16 122.62 1ig1 n LYS 108 Ca 0.02 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1ig1 n LYS 108 Cb 0.46 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1ig1 n LYS 108 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ig1 n GLU 109 N -1.14 0.00 -4.36 1.97 1.02 -0.24 -4.70 120.64 113.18 1ig1 n GLU 109 Ca 0.02 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 1ig1 n GLU 109 Cb 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.42 1ig1 n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ig1 s SER 110 N -3.64 1.39 0.37 1.62 0.15 -1.26 -4.42 113.70 107.91 1ig1 s SER 110 Ca 0.00 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.38 1ig1 s SER 110 Cb 0.00 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1ig1 s SER 110 CO 0.00 0.05 0.33 -0.76 1.20 0.00 0.00 173.24 174.07 1ig1 s LEU 111 N -0.79 3.50 0.60 3.45 1.43 -1.24 -5.11 118.68 120.52 1ig1 s LEU 111 Ca 0.02 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 1ig1 s LEU 111 Cb -0.06 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1ig1 s LEU 111 CO 0.00 -0.50 0.91 0.42 0.23 0.00 0.00 176.35 177.42 1ig1 s THR 112 N -2.39 3.58 0.47 5.49 -4.23 -1.26 -4.81 115.64 112.49 1ig1 s THR 112 Ca 0.44 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 61.14 1ig1 s THR 112 Cb -0.05 -3.43 0.22 0.00 1.34 0.00 0.00 72.50 70.58 1ig1 s THR 112 CO 0.27 -0.45 2.05 -0.33 -0.54 0.00 0.00 174.62 175.62 1ig1 h GLU 113 N -0.22 0.00 -0.17 3.99 5.08 -1.96 0.12 114.58 121.43 1ig1 h GLU 113 Ca -0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1ig1 h GLU 113 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ig1 h GLU 113 CO 0.61 0.13 -0.14 0.93 -1.00 0.00 0.00 179.01 179.54 1ig1 h GLU 114 N 0.00 0.39 -0.69 2.33 4.39 -1.98 0.77 114.58 119.79 1ig1 h GLU 114 Ca -0.00 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 1ig1 h GLU 114 Cb 0.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1ig1 h GLU 114 CO 0.02 0.74 0.16 0.93 -1.16 0.00 0.00 179.01 179.70 1ig1 h GLU 115 N 0.04 1.10 -0.09 2.33 5.08 -1.78 -0.42 114.58 120.84 1ig1 h GLU 115 Ca 0.03 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1ig1 h GLU 115 Cb 0.66 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ig1 h GLU 115 CO 0.04 0.97 0.03 0.00 -1.00 0.00 0.00 179.01 179.05 1ig1 h ALA 116 N 1.12 0.12 0.00 3.43 0.00 -0.67 -2.65 119.26 120.61 1ig1 h ALA 116 Ca 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ig1 h ALA 116 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ig1 h ALA 116 CO 0.00 -0.29 -0.25 1.79 0.00 0.00 0.00 179.25 180.51 1ig1 h THR 117 N -0.03 0.81 -0.51 0.00 1.35 -0.67 0.96 112.91 114.83 1ig1 h THR 117 Ca 0.03 -1.01 -0.04 0.00 -0.55 0.00 0.00 66.41 64.84 1ig1 h THR 117 Cb 0.19 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 1ig1 h THR 117 CO -0.00 0.25 0.16 -0.33 -0.25 0.00 0.00 175.52 175.34 1ig1 h GLU 118 N 0.00 0.79 -0.04 4.72 4.39 -0.84 0.27 114.58 123.86 1ig1 h GLU 118 Ca -0.00 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1ig1 h GLU 118 Cb 0.60 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1ig1 h GLU 118 CO 0.03 0.74 -0.11 0.74 -1.16 0.00 0.00 179.01 179.25 1ig1 h PHE 119 N 0.69 0.20 -0.64 4.33 0.05 -1.12 -3.24 116.94 117.20 1ig1 h PHE 119 Ca 0.16 -0.08 0.02 0.00 3.82 0.00 0.00 57.97 61.89 1ig1 h PHE 119 Cb 0.28 -0.03 -0.04 0.00 2.00 0.00 0.00 35.95 38.15 1ig1 h PHE 119 CO 0.02 0.72 0.41 1.25 -0.18 0.00 0.00 178.31 180.53 1ig1 h LEU 120 N -0.38 0.70 -1.34 1.54 7.12 -0.70 -1.57 115.31 120.68 1ig1 h LEU 120 Ca -0.00 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.05 1ig1 h LEU 120 Cb 0.71 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.64 1ig1 h LEU 120 CO 0.02 0.50 0.49 0.11 -0.13 0.00 0.00 178.44 179.43 1ig1 h LYS 121 N 0.83 0.81 -0.21 1.25 1.57 -0.55 0.36 116.57 120.62 1ig1 h LYS 121 Ca 0.25 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1ig1 h LYS 121 Cb -0.05 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.08 1ig1 h LYS 121 CO -0.07 0.53 -0.44 1.96 -0.57 0.00 0.00 179.45 180.86 1ig1 h GLN 122 N 0.83 0.67 -0.43 3.15 4.20 -1.46 -1.21 115.11 120.86 1ig1 h GLN 122 Ca 0.31 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1ig1 h GLN 122 Cb 0.16 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1ig1 h GLN 122 CO -0.10 1.06 0.27 0.82 -0.67 0.00 0.00 178.83 180.21 1ig1 h ILE 123 N 0.37 1.13 -0.80 2.54 2.04 -0.39 -0.71 117.51 121.68 1ig1 h ILE 123 Ca 0.01 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1ig1 h ILE 123 Cb 1.04 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1ig1 h ILE 123 CO 0.10 0.13 0.46 -0.07 0.00 0.00 0.00 178.15 178.77 1ig1 h LEU 124 N 0.58 0.99 -0.79 1.44 3.38 -0.25 -0.28 115.31 120.38 1ig1 h LEU 124 Ca 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1ig1 h LEU 124 Cb -0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1ig1 h LEU 124 CO -0.03 0.78 0.37 0.78 0.09 0.00 0.00 178.44 180.43 1ig1 h ASN 125 N 1.11 1.04 -0.42 -0.43 2.35 -0.73 0.31 115.58 118.80 1ig1 h ASN 125 Ca 0.29 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1ig1 h ASN 125 Cb -0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1ig1 h ASN 125 CO -0.05 0.89 0.02 1.23 -1.65 0.00 0.00 177.43 177.87 1ig1 h GLY 126 N 1.12 0.79 1.81 2.83 0.00 -0.56 -2.15 103.07 106.90 1ig1 h GLY 126 Ca 0.27 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1ig1 h GLY 126 CO -0.03 0.52 -0.44 -2.08 0.00 0.00 0.00 176.54 174.51 1ig1 h VAL 127 N 0.57 1.32 -0.60 4.60 2.07 -0.78 -1.87 116.25 121.57 1ig1 h VAL 127 Ca 0.12 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1ig1 h VAL 127 Cb 0.46 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1ig1 h VAL 127 CO 0.02 0.47 0.31 0.22 0.02 0.00 0.00 177.57 178.61 1ig1 h TYR 128 N 0.18 0.85 0.18 1.57 3.20 -0.18 0.21 116.97 122.99 1ig1 h TYR 128 Ca 0.01 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1ig1 h TYR 128 Cb 0.86 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1ig1 h TYR 128 CO 0.01 0.63 -0.09 -0.92 -1.64 0.00 0.00 178.16 176.16 1ig1 h TYR 129 N 0.82 -0.23 0.06 -3.82 3.20 -1.06 -0.13 116.97 115.82 1ig1 h TYR 129 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1ig1 h TYR 129 Cb 0.08 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1ig1 h TYR 129 CO -0.01 -0.12 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.25 1ig1 h LEU 130 N -0.26 -0.19 -1.64 2.82 3.38 -1.02 -2.50 115.31 115.89 1ig1 h LEU 130 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ig1 h LEU 130 Cb 0.20 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ig1 h LEU 130 CO 0.04 -0.11 0.04 0.45 0.09 0.00 0.00 178.44 178.95 1ig1 h HIS 131 N -0.16 0.27 -0.11 1.13 3.86 -0.53 0.45 115.15 120.06 1ig1 h HIS 131 Ca 0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1ig1 h HIS 131 Cb 0.16 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1ig1 h HIS 131 CO -0.11 0.25 -0.03 0.77 0.86 0.00 0.00 177.93 179.67 1ig1 h SER 132 N 0.27 0.14 -0.54 2.45 0.02 -0.58 0.30 113.55 115.61 1ig1 h SER 132 Ca 0.07 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1ig1 h SER 132 Cb 0.12 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1ig1 h SER 132 CO -0.00 0.19 0.00 0.18 -1.14 0.00 0.00 176.83 176.06 1ig1 n LEU 133 N -4.42 2.91 -3.00 5.07 4.77 -0.29 -4.92 117.00 117.13 1ig1 n LEU 133 Ca -0.01 -1.46 -0.21 0.00 -0.03 0.00 0.00 56.01 54.30 1ig1 n LEU 133 Cb 0.16 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1ig1 n LEU 133 CO 0.36 0.71 0.07 0.00 -1.33 0.00 0.00 177.39 177.20 1ig1 n GLN 134 N 1.06 -5.50 -3.79 3.23 1.13 0.09 -4.86 117.38 108.74 1ig1 n GLN 134 Ca 0.18 0.83 -0.37 0.00 -1.94 0.00 0.00 57.00 55.70 1ig1 n GLN 134 Cb 0.47 -5.61 -0.13 0.00 0.11 0.00 0.00 30.24 25.07 1ig1 n GLN 134 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ig1 s ILE 135 N -3.19 3.95 -0.11 5.09 1.01 -0.01 -0.08 121.20 127.86 1ig1 s ILE 135 Ca 0.37 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 1ig1 s ILE 135 Cb -0.16 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1ig1 s ILE 135 CO 0.45 0.22 0.43 0.00 0.00 0.00 0.00 174.94 176.04 1ig1 s ALA 136 N 1.53 3.54 -0.03 9.38 0.00 -0.26 -3.66 121.76 132.25 1ig1 s ALA 136 Ca 0.04 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 1ig1 s ALA 136 Cb -0.16 -2.55 -0.29 0.00 0.00 0.00 0.00 23.12 20.13 1ig1 s ALA 136 CO 0.02 0.10 0.96 1.25 0.00 0.00 0.00 175.76 178.09 1ig1 h HIS 137 N 6.37 0.54 0.00 0.00 2.76 -1.90 -0.98 115.15 121.93 1ig1 h HIS 137 Ca -0.43 -0.36 0.00 0.00 -2.20 0.00 0.00 60.37 57.38 1ig1 h HIS 137 Cb 1.18 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.11 1ig1 h HIS 137 CO 0.63 1.24 0.00 1.19 -1.30 0.00 0.00 177.93 179.69 1ig1 n PHE 138 N -4.18 0.00 -2.76 5.26 3.72 -1.26 -2.54 117.46 115.70 1ig1 n PHE 138 Ca -0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1ig1 n PHE 138 Cb 0.76 -1.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.19 1ig1 n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ig1 n ASP 139 N -0.22 1.00 -4.68 4.37 2.03 -1.26 -4.60 116.55 113.20 1ig1 n ASP 139 Ca 0.00 -2.05 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 1ig1 n ASP 139 Cb 0.11 -0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 1ig1 n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ig1 s LEU 140 N -3.37 4.25 -0.04 -2.67 1.43 -1.26 -4.77 118.68 112.25 1ig1 s LEU 140 Ca 0.24 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 1ig1 s LEU 140 Cb 0.34 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 43.12 1ig1 s LEU 140 CO -0.07 -0.66 1.05 -1.59 0.23 0.00 0.00 176.35 175.32 1ig1 s LYS 141 N 2.68 0.66 0.39 1.70 -2.85 -1.26 -4.87 119.74 116.20 1ig1 s LYS 141 Ca 0.56 -0.29 0.18 0.00 -1.00 0.00 0.00 55.97 55.43 1ig1 s LYS 141 Cb -0.24 0.28 1.10 0.00 -2.06 0.00 0.00 37.83 36.91 1ig1 s LYS 141 CO 0.20 -0.29 1.76 -1.35 0.10 0.00 0.00 175.35 175.77 1ig1 h PRO 142 N 2.00 0.38 0.00 1.78 0.11 -1.93 0.27 132.00 134.61 1ig1 h PRO 142 Ca -0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1ig1 h PRO 142 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ig1 h PRO 142 CO 0.27 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.46 1ig1 n GLU 143 N -4.65 0.08 -0.67 1.05 0.28 -1.26 -2.23 120.64 113.24 1ig1 n GLU 143 Ca 0.26 0.18 0.06 0.00 -0.16 0.00 0.00 57.16 57.50 1ig1 n GLU 143 Cb 0.89 -1.62 0.31 0.00 1.43 0.00 0.00 31.44 32.45 1ig1 n GLU 143 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ig1 n ASN 144 N -1.77 4.54 -3.95 -1.84 3.02 0.08 -4.86 115.26 110.48 1ig1 n ASN 144 Ca 0.05 -3.05 -0.25 0.00 -0.03 0.00 0.00 54.58 51.30 1ig1 n ASN 144 Cb 0.29 -0.62 -0.17 0.00 -0.61 0.00 0.00 39.78 38.67 1ig1 n ASN 144 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ig1 s ILE 145 N -2.85 1.01 0.11 2.41 1.01 -1.12 -1.02 121.20 120.74 1ig1 s ILE 145 Ca 0.48 -0.34 0.09 0.00 0.00 0.00 0.00 60.65 60.88 1ig1 s ILE 145 Cb 0.38 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1ig1 s ILE 145 CO 0.11 0.35 -0.18 -0.04 0.00 0.00 0.00 174.94 175.18 1ig1 s MET 146 N 1.20 1.81 -0.10 2.79 -1.94 -0.27 -0.52 119.30 122.28 1ig1 s MET 146 Ca -0.05 -1.16 -0.06 0.00 -1.71 0.00 0.00 55.69 52.71 1ig1 s MET 146 Cb -0.14 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 1ig1 s MET 146 CO -0.02 0.49 0.14 -0.51 -0.01 0.00 0.00 175.02 175.11 1ig1 s LEU 147 N -2.07 4.36 0.12 -0.03 1.02 -0.42 -0.80 118.68 120.87 1ig1 s LEU 147 Ca 0.18 0.44 -0.09 0.00 0.02 0.00 0.00 54.13 54.67 1ig1 s LEU 147 Cb -0.11 -2.17 -0.10 0.00 0.02 0.00 0.00 46.19 43.83 1ig1 s LEU 147 CO 0.10 0.38 1.33 -0.07 0.02 0.00 0.00 176.35 178.10 1ig1 h LEU 148 N 4.75 0.79 -6.79 1.79 3.38 -1.39 0.43 115.31 118.28 1ig1 h LEU 148 Ca -0.54 -0.54 -0.15 0.00 0.09 0.00 0.00 57.88 56.74 1ig1 h LEU 148 Cb 1.22 -0.24 -0.29 0.00 0.09 0.00 0.00 40.66 41.44 1ig1 h LEU 148 CO 0.60 1.33 -0.45 -0.62 0.09 0.00 0.00 178.44 179.39 1ig1 s ASP 149 N -7.10 0.13 0.00 -0.43 -1.08 -1.26 -3.01 116.67 103.92 1ig1 s ASP 149 Ca -0.09 0.52 0.26 0.00 -0.52 0.00 0.00 52.55 52.73 1ig1 s ASP 149 Cb 0.09 1.12 0.98 0.00 -1.46 0.00 0.00 42.92 43.65 1ig1 s ASP 149 CO 0.89 -0.27 1.70 -2.11 0.52 0.00 0.00 175.17 175.90 1ig1 n ARG 150 N 5.37 1.69 -1.21 4.34 0.00 -1.26 -4.01 116.66 121.58 1ig1 n ARG 150 Ca -0.06 -1.01 -0.27 0.00 -0.00 0.00 0.00 57.85 56.51 1ig1 n ARG 150 Cb 0.50 -1.46 0.12 0.00 -0.00 0.00 0.00 32.46 31.62 1ig1 n ARG 150 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ig1 n ASN 151 N 0.22 5.59 -4.13 2.89 3.02 -1.26 -4.89 115.26 116.70 1ig1 n ASN 151 Ca 0.18 -3.60 -0.20 0.00 -0.03 0.00 0.00 54.58 50.94 1ig1 n ASN 151 Cb 0.35 -0.90 -0.13 0.00 -0.61 0.00 0.00 39.78 38.49 1ig1 n ASN 151 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ig1 s VAL 152 N -3.77 1.06 0.35 2.41 1.01 -1.26 -5.06 120.40 115.14 1ig1 s VAL 152 Ca 0.57 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1ig1 s VAL 152 Cb 0.46 -0.96 0.33 0.00 0.00 0.00 0.00 36.38 36.21 1ig1 s VAL 152 CO 0.05 0.01 1.85 1.55 0.00 0.00 0.00 175.10 178.56 1ig1 h PRO 153 N 5.00 0.66 -2.41 2.72 0.13 -1.93 -3.26 132.00 132.92 1ig1 h PRO 153 Ca -0.37 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.12 1ig1 h PRO 153 Cb 1.18 -0.15 -0.41 0.00 0.13 0.00 0.00 31.00 31.75 1ig1 h PRO 153 CO 0.44 0.44 -0.76 1.63 -0.23 0.00 0.00 178.00 179.52 1ig1 n LYS 154 N -4.58 1.59 -1.63 0.86 5.02 -1.26 -5.06 118.16 113.10 1ig1 n LYS 154 Ca 0.18 -4.08 -0.45 0.00 -2.02 0.00 0.00 58.31 51.95 1ig1 n LYS 154 Cb 0.50 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1ig1 n LYS 154 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ig1 n PRO 155 N 1.56 1.63 -3.46 1.97 -0.02 -1.23 -4.99 135.00 130.45 1ig1 n PRO 155 Ca 0.25 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.97 1ig1 n PRO 155 Cb 0.43 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1ig1 n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ig1 s ARG 156 N -1.29 3.82 0.26 -0.52 1.81 -1.26 -4.85 118.95 116.92 1ig1 s ARG 156 Ca 0.61 0.27 0.05 0.00 -1.72 0.00 0.00 55.73 54.95 1ig1 s ARG 156 Cb -0.68 -2.83 -0.06 0.00 -0.45 0.00 0.00 34.95 30.94 1ig1 s ARG 156 CO 0.58 0.43 -0.03 0.96 -0.68 0.00 0.00 175.30 176.56 1ig1 s ILE 157 N -1.60 1.36 -0.00 1.52 -5.25 -1.26 -1.01 121.20 114.95 1ig1 s ILE 157 Ca 0.41 -2.08 0.00 0.00 -0.99 0.00 0.00 60.65 57.99 1ig1 s ILE 157 Cb -0.13 -2.42 0.01 0.00 2.95 0.00 0.00 42.46 42.86 1ig1 s ILE 157 CO 0.20 -0.30 0.00 -0.54 -1.79 0.00 0.00 174.94 172.52 1ig1 s LYS 158 N -3.79 0.02 0.14 0.37 1.02 0.02 -4.44 119.74 113.08 1ig1 s LYS 158 Ca 0.29 0.02 -0.28 0.00 0.02 0.00 0.00 55.97 56.02 1ig1 s LYS 158 Cb 0.05 -0.07 -0.07 0.00 -0.52 0.00 0.00 37.83 37.22 1ig1 s LYS 158 CO 0.11 -0.02 0.89 0.42 -0.92 0.00 0.00 175.35 175.82 1ig1 s ILE 159 N 0.19 4.42 0.10 2.17 -1.09 0.21 -1.11 121.20 126.10 1ig1 s ILE 159 Ca -0.02 1.93 0.00 0.00 -2.23 0.00 0.00 60.65 60.34 1ig1 s ILE 159 Cb -0.03 -4.26 -0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1ig1 s ILE 159 CO -0.01 0.40 0.02 2.30 -1.23 0.00 0.00 174.94 176.42 1ig1 n ILE 160 N 2.29 0.00 -2.93 2.92 -5.35 -0.19 -2.24 119.36 113.86 1ig1 n ILE 160 Ca -0.01 -0.53 -0.08 0.00 -0.27 0.00 0.00 62.75 61.87 1ig1 n ILE 160 Cb 0.49 0.14 0.01 0.00 -1.74 0.00 0.00 39.64 38.54 1ig1 n ILE 160 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1ig1 n ASP 161 N -1.48 -7.51 -2.13 7.28 2.03 -1.26 -4.82 116.55 108.65 1ig1 n ASP 161 Ca -0.03 0.78 -0.18 0.00 0.52 0.00 0.00 54.79 55.88 1ig1 n ASP 161 Cb 0.14 -4.42 0.21 0.00 -0.72 0.00 0.00 41.12 36.33 1ig1 n ASP 161 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1ig1 n PHE 162 N 0.31 2.82 0.29 -0.67 3.01 -1.26 -4.56 117.46 117.39 1ig1 n PHE 162 Ca 0.03 -1.62 0.16 0.00 1.01 0.00 0.00 57.45 57.03 1ig1 n PHE 162 Cb 0.32 -0.86 0.86 0.00 -0.01 0.00 0.00 39.48 39.79 1ig1 n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ig1 h GLY 163 N 1.58 0.00 -0.42 1.37 0.00 -1.91 -2.72 103.07 100.98 1ig1 h GLY 163 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1ig1 h GLY 163 CO 0.98 0.00 -0.13 1.04 0.00 0.00 0.00 176.54 178.43 1ig1 n LEU 164 N -3.48 1.19 -4.74 3.11 4.77 -1.26 -4.90 117.00 111.69 1ig1 n LEU 164 Ca -0.02 -0.82 -0.41 0.00 -0.03 0.00 0.00 56.01 54.74 1ig1 n LEU 164 Cb 0.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1ig1 n LEU 164 CO 0.27 0.24 1.02 0.00 -1.33 0.00 0.00 177.39 177.59 1ig1 n ALA 165 N -0.14 1.84 -3.01 -1.18 0.00 -1.02 -4.68 120.51 112.32 1ig1 n ALA 165 Ca 0.04 0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.67 1ig1 n ALA 165 Cb 0.17 -2.35 -0.11 0.00 0.00 0.00 0.00 19.45 17.16 1ig1 n ALA 165 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ig1 s HIS 166 N -1.16 0.19 0.04 0.00 3.76 -0.37 -4.80 115.29 112.95 1ig1 s HIS 166 Ca 0.58 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 1ig1 s HIS 166 Cb -0.49 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 1ig1 s HIS 166 CO 0.60 -0.20 0.87 0.15 -0.85 0.00 0.00 174.74 175.31 1ig1 s LYS 167 N -1.36 4.57 -0.82 1.40 -0.14 -1.26 -1.10 119.74 121.03 1ig1 s LYS 167 Ca -0.15 1.25 0.01 0.00 -1.36 0.00 0.00 55.97 55.73 1ig1 s LYS 167 Cb -0.09 -3.40 0.25 0.00 -1.68 0.00 0.00 37.83 32.91 1ig1 s LYS 167 CO -0.00 0.16 0.90 -0.89 -0.76 0.00 0.00 175.35 174.75 1ig1 n ILE 168 N 3.17 3.14 0.80 2.17 2.08 0.89 -4.84 119.36 126.77 1ig1 n ILE 168 Ca 0.01 -5.32 0.13 0.00 0.56 0.00 0.00 62.75 58.14 1ig1 n ILE 168 Cb 0.50 -2.19 0.42 0.00 -0.75 0.00 0.00 39.64 37.62 1ig1 n ILE 168 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1ig1 n ASP 169 N 1.48 0.46 -0.87 4.38 8.00 -1.26 -3.52 116.55 125.22 1ig1 n ASP 169 Ca 0.26 0.34 0.08 0.00 0.71 0.00 0.00 54.79 56.18 1ig1 n ASP 169 Cb 0.37 -0.37 0.25 0.00 -0.02 0.00 0.00 41.12 41.36 1ig1 n ASP 169 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ig1 n PHE 170 N -1.86 0.91 0.00 1.24 3.01 -1.26 -4.96 117.46 114.54 1ig1 n PHE 170 Ca 0.06 -0.95 0.00 0.00 1.01 0.00 0.00 57.45 57.57 1ig1 n PHE 170 Cb 0.39 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1ig1 n PHE 170 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ig1 n GLY 171 N -0.62 2.80 3.50 1.37 0.00 -1.23 -4.91 105.19 106.10 1ig1 n GLY 171 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1ig1 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ig1 s ASN 172 N -0.53 -0.56 -0.05 1.61 2.20 -1.26 -4.51 114.94 111.83 1ig1 s ASN 172 Ca 0.00 0.42 0.06 0.00 -0.94 0.00 0.00 52.86 52.40 1ig1 s ASN 172 Cb 0.00 0.50 -0.01 0.00 -2.00 0.00 0.00 41.25 39.74 1ig1 s ASN 172 CO 0.00 -0.66 -0.24 -1.61 -2.94 0.00 0.00 177.10 171.65 1ig1 s GLU 173 N -2.01 2.43 -0.58 3.55 0.41 0.30 -4.87 118.70 117.94 1ig1 s GLU 173 Ca -0.05 -0.87 0.04 0.00 -0.41 0.00 0.00 54.97 53.68 1ig1 s GLU 173 Cb -0.00 -2.08 0.15 0.00 -1.78 0.00 0.00 34.13 30.41 1ig1 s GLU 173 CO 0.01 0.38 0.36 0.12 -0.49 0.00 0.00 175.26 175.63 1ig1 s PHE 174 N -0.17 3.04 -0.23 1.61 5.36 -1.26 -0.21 117.98 126.11 1ig1 s PHE 174 Ca -0.03 -3.08 0.18 0.00 -0.96 0.00 0.00 56.93 53.04 1ig1 s PHE 174 Cb -0.13 -2.53 0.42 0.00 -0.34 0.00 0.00 43.02 40.44 1ig1 s PHE 174 CO 0.03 -0.67 1.26 0.36 -1.46 0.00 0.00 175.22 174.74 1ig1 n LYS 175 N 2.70 1.23 -2.58 10.12 2.85 -1.26 -5.02 118.16 126.21 1ig1 n LYS 175 Ca 0.13 -2.31 -0.15 0.00 -1.05 0.00 0.00 58.31 54.93 1ig1 n LYS 175 Cb 0.34 -0.52 -0.00 0.00 -0.65 0.00 0.00 35.03 34.20 1ig1 n LYS 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ig1 n ASN 176 N -0.74 -4.10 -4.76 -5.58 3.02 -1.26 -4.91 115.26 96.93 1ig1 n ASN 176 Ca -0.05 0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 1ig1 n ASN 176 Cb 0.86 -3.46 -0.01 0.00 -0.61 0.00 0.00 39.78 36.56 1ig1 n ASN 176 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ig1 s ILE 177 N -2.71 2.20 -0.17 2.41 -1.09 -1.26 -4.99 121.20 115.59 1ig1 s ILE 177 Ca 0.06 0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 58.56 1ig1 s ILE 177 Cb -0.03 -3.11 0.06 0.00 -1.58 0.00 0.00 42.46 37.79 1ig1 s ILE 177 CO 0.08 0.03 0.42 0.12 -1.23 0.00 0.00 174.94 174.36 1ig1 s PHE 178 N -0.29 -0.60 0.00 3.97 2.19 -1.26 -4.91 117.98 117.08 1ig1 s PHE 178 Ca 0.60 1.29 0.00 0.00 0.33 0.00 0.00 56.93 59.15 1ig1 s PHE 178 Cb -0.46 0.26 0.00 0.00 -1.31 0.00 0.00 43.02 41.51 1ig1 s PHE 178 CO 0.50 -0.34 0.00 0.41 1.83 0.00 0.00 175.22 177.63 1ig1 n GLY 179 N 4.16 3.58 3.65 13.12 0.00 -1.26 -4.87 105.19 123.56 1ig1 n GLY 179 Ca -0.23 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1ig1 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ig1 s THR 180 N 4.45 4.71 0.28 2.61 2.01 -1.26 -4.35 115.64 124.09 1ig1 s THR 180 Ca 0.00 1.79 0.01 0.00 0.31 0.00 0.00 61.69 63.80 1ig1 s THR 180 Cb 0.00 -4.25 0.38 0.00 0.01 0.00 0.00 72.50 68.64 1ig1 s THR 180 CO 0.00 -0.19 1.42 -2.65 -0.69 0.00 0.00 174.62 172.51 1ig1 n PRO 181 N 6.29 -0.07 0.18 4.92 -0.02 -1.26 -0.30 135.00 144.73 1ig1 n PRO 181 Ca 0.09 1.36 0.13 0.00 -2.02 0.00 0.00 63.50 63.07 1ig1 n PRO 181 Cb 0.47 -2.15 0.70 0.00 -0.02 0.00 0.00 33.50 32.49 1ig1 n PRO 181 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ig1 h GLU 182 N 0.00 0.00 -0.00 -0.52 5.08 -1.93 -3.17 114.58 114.04 1ig1 h GLU 182 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1ig1 h GLU 182 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ig1 h GLU 182 CO -0.86 0.00 -0.26 1.19 -1.00 0.00 0.00 179.01 178.08 1ig1 n PHE 183 N -4.36 0.00 -2.58 4.33 3.01 0.59 -4.80 117.46 113.66 1ig1 n PHE 183 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 1ig1 n PHE 183 Cb 0.28 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.71 1ig1 n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1ig1 s VAL 184 N -1.45 3.82 0.67 -4.37 -7.23 -0.80 -4.19 120.40 106.85 1ig1 s VAL 184 Ca 0.05 1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 61.42 1ig1 s VAL 184 Cb 0.06 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 1ig1 s VAL 184 CO 0.26 -0.08 1.06 0.00 -0.31 0.00 0.00 175.10 176.03 1ig1 s ALA 185 N -1.78 2.92 0.32 1.32 0.00 -1.26 -4.88 121.76 118.39 1ig1 s ALA 185 Ca 0.60 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1ig1 s ALA 185 Cb -0.19 -3.08 0.73 0.00 0.00 0.00 0.00 23.12 20.58 1ig1 s ALA 185 CO 0.24 -0.98 1.83 -1.35 0.00 0.00 0.00 175.76 175.50 1ig1 h PRO 186 N -0.54 0.76 -0.15 0.00 0.11 -1.88 -0.49 132.00 129.81 1ig1 h PRO 186 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1ig1 h PRO 186 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1ig1 h PRO 186 CO 0.62 0.51 -0.04 1.05 -0.21 0.00 0.00 178.00 179.92 1ig1 h GLU 187 N 0.79 0.23 -0.14 1.05 9.09 -1.93 0.53 114.58 124.19 1ig1 h GLU 187 Ca 0.51 -0.04 -0.14 0.00 0.05 0.00 0.00 59.36 59.74 1ig1 h GLU 187 Cb 0.75 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1ig1 h GLU 187 CO -0.28 0.29 -0.47 0.82 0.05 0.00 0.00 179.01 179.42 1ig1 h ILE 188 N 0.22 1.35 -0.92 -1.06 2.04 -1.39 0.42 117.51 118.17 1ig1 h ILE 188 Ca 0.05 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1ig1 h ILE 188 Cb 0.22 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1ig1 h ILE 188 CO 0.01 0.53 0.56 0.58 0.00 0.00 0.00 178.15 179.83 1ig1 h VAL 189 N 0.19 1.25 -0.20 1.67 2.07 -0.89 -2.43 116.25 117.92 1ig1 h VAL 189 Ca -0.02 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1ig1 h VAL 189 Cb 1.09 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1ig1 h VAL 189 CO 0.10 0.26 0.00 0.59 0.02 0.00 0.00 177.57 178.54 1ig1 n ASN 190 N -4.36 1.69 -3.69 0.57 4.13 0.12 -4.94 115.26 108.78 1ig1 n ASN 190 Ca 0.10 -1.76 -0.25 0.00 1.68 0.00 0.00 54.58 54.35 1ig1 n ASN 190 Cb 0.06 -0.13 0.06 0.00 -1.54 0.00 0.00 39.78 38.22 1ig1 n ASN 190 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1ig1 n TYR 191 N 0.35 -2.50 -3.16 3.10 4.01 -0.78 -5.00 117.16 113.18 1ig1 n TYR 191 Ca 0.15 0.95 -0.18 0.00 -0.16 0.00 0.00 57.90 58.67 1ig1 n TYR 191 Cb 0.32 -4.63 0.00 0.00 -0.31 0.00 0.00 39.34 34.72 1ig1 n TYR 191 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1ig1 s GLU 192 N -6.25 2.80 0.31 -0.72 2.02 0.07 -4.91 118.70 112.02 1ig1 s GLU 192 Ca 0.47 -1.27 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 1ig1 s GLU 192 Cb -0.22 -2.69 -0.13 0.00 0.10 0.00 0.00 34.13 31.19 1ig1 s GLU 192 CO 0.77 -0.22 1.16 -2.30 0.02 0.00 0.00 175.26 174.69 1ig1 n PRO 193 N -1.77 1.73 -4.39 0.39 -0.02 -1.26 -4.73 135.00 124.95 1ig1 n PRO 193 Ca 0.06 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 1ig1 n PRO 193 Cb 0.59 -2.09 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 1ig1 n PRO 193 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ig1 s LEU 194 N -0.22 2.69 0.00 2.45 1.43 0.71 -4.88 118.68 120.85 1ig1 s LEU 194 Ca 0.58 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1ig1 s LEU 194 Cb -0.64 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1ig1 s LEU 194 CO 0.60 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.99 1ig1 n GLY 195 N 0.99 3.59 0.33 -3.19 0.00 -1.26 0.11 105.19 105.75 1ig1 n GLY 195 Ca -0.16 -1.41 0.17 0.00 0.00 0.00 0.00 46.02 44.62 1ig1 n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ig1 h LEU 196 N 0.00 0.00 -1.65 0.99 3.38 -1.96 -2.53 115.31 113.55 1ig1 h LEU 196 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1ig1 h LEU 196 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1ig1 h LEU 196 CO 0.00 0.00 0.41 -0.33 0.09 0.00 0.00 178.44 178.61 1ig1 h GLU 197 N 0.00 0.38 -0.81 1.13 3.07 -1.95 -2.11 114.58 114.29 1ig1 h GLU 197 Ca 0.06 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1ig1 h GLU 197 Cb 0.35 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 1ig1 h GLU 197 CO -0.00 0.25 0.53 0.00 -1.40 0.00 0.00 179.01 178.39 1ig1 h ALA 198 N 1.70 1.60 -0.54 3.43 0.00 -1.85 -1.61 119.26 121.98 1ig1 h ALA 198 Ca 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1ig1 h ALA 198 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ig1 h ALA 198 CO -0.08 0.29 0.13 -0.44 0.00 0.00 0.00 179.25 179.15 1ig1 h ASP 199 N 0.90 0.78 -0.23 0.00 3.32 -1.59 -2.48 116.42 117.12 1ig1 h ASP 199 Ca 0.34 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1ig1 h ASP 199 Cb 0.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1ig1 h ASP 199 CO -0.12 0.77 -0.08 0.24 -1.72 0.00 0.00 179.24 178.33 1ig1 h MET 200 N 0.80 0.60 -0.23 3.56 2.86 -1.36 -0.84 114.93 120.32 1ig1 h MET 200 Ca 0.18 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1ig1 h MET 200 Cb 0.30 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1ig1 h MET 200 CO -0.00 0.68 0.07 2.35 1.06 0.00 0.00 176.91 181.06 1ig1 h TRP 201 N 0.56 0.38 -0.68 -0.22 2.91 -1.22 -1.93 115.95 115.75 1ig1 h TRP 201 Ca 0.11 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.13 1ig1 h TRP 201 Cb 0.47 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 1ig1 h TRP 201 CO 0.02 0.45 0.45 0.77 -1.03 0.00 0.00 178.44 179.10 1ig1 h SER 202 N 0.20 0.68 -0.49 2.65 0.02 -0.98 -0.15 113.55 115.47 1ig1 h SER 202 Ca 0.07 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1ig1 h SER 202 Cb 0.25 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1ig1 h SER 202 CO -0.00 0.46 0.11 0.40 -1.14 0.00 0.00 176.83 176.66 1ig1 h ILE 203 N 0.78 1.23 -0.62 3.27 1.08 -0.78 -0.84 117.51 121.64 1ig1 h ILE 203 Ca 0.28 -0.86 -0.03 0.00 -0.39 0.00 0.00 64.86 63.86 1ig1 h ILE 203 Cb 0.13 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 1ig1 h ILE 203 CO -0.08 0.32 0.26 1.23 -0.69 0.00 0.00 178.15 179.19 1ig1 h GLY 204 N 0.98 0.99 0.91 5.37 0.00 -0.26 -0.25 103.07 110.81 1ig1 h GLY 204 Ca 0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1ig1 h GLY 204 CO 0.00 0.50 0.11 -2.08 0.00 0.00 0.00 176.54 175.07 1ig1 h VAL 205 N 0.86 1.18 -0.76 4.60 2.07 -0.95 -1.55 116.25 121.71 1ig1 h VAL 205 Ca 0.21 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1ig1 h VAL 205 Cb 0.18 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1ig1 h VAL 205 CO -0.02 0.19 0.49 0.40 0.02 0.00 0.00 177.57 178.66 1ig1 h ILE 206 N 0.32 1.15 -0.50 4.57 5.03 -0.92 -1.66 117.51 125.50 1ig1 h ILE 206 Ca 0.10 -0.34 -0.02 0.00 -0.12 0.00 0.00 64.86 64.48 1ig1 h ILE 206 Cb 0.20 0.08 -0.02 0.00 -3.03 0.00 0.00 36.82 34.05 1ig1 h ILE 206 CO -0.01 0.18 0.25 0.74 -0.68 0.00 0.00 178.15 178.63 1ig1 h THR 207 N 0.98 1.19 -0.56 -0.27 2.02 -0.80 0.67 112.91 116.14 1ig1 h THR 207 Ca 0.29 -0.52 0.06 0.00 0.77 0.00 0.00 66.41 67.01 1ig1 h THR 207 Cb -0.04 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 1ig1 h THR 207 CO -0.09 0.21 0.27 0.22 0.37 0.00 0.00 175.52 176.50 1ig1 h TYR 208 N 0.66 0.49 -0.37 3.16 5.03 -0.88 -1.81 116.97 123.25 1ig1 h TYR 208 Ca 0.17 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 1ig1 h TYR 208 Cb 0.10 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1ig1 h TYR 208 CO -0.01 0.22 0.05 0.82 -1.32 0.00 0.00 178.16 177.92 1ig1 h ILE 209 N 0.51 1.24 -1.00 1.81 1.08 -0.84 -2.04 117.51 118.29 1ig1 h ILE 209 Ca 0.25 -0.87 0.07 0.00 -0.39 0.00 0.00 64.86 63.92 1ig1 h ILE 209 Cb 0.19 1.10 -0.07 0.00 -3.07 0.00 0.00 36.82 34.97 1ig1 h ILE 209 CO -0.19 0.29 0.64 -0.07 -0.69 0.00 0.00 178.15 178.13 1ig1 h LEU 210 N 0.45 1.01 0.00 1.44 3.38 -0.41 0.31 115.31 121.50 1ig1 h LEU 210 Ca 0.11 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1ig1 h LEU 210 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ig1 h LEU 210 CO 0.01 0.63 -0.91 -0.07 0.09 0.00 0.00 178.44 178.19 1ig1 h LEU 211 N 1.14 0.00 0.00 1.67 3.38 -1.24 -3.28 115.31 116.99 1ig1 h LEU 211 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1ig1 h LEU 211 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ig1 h LEU 211 CO -0.18 0.73 -1.04 -1.54 0.09 0.00 0.00 178.44 176.49 1ig1 n SER 212 N -3.21 4.81 0.00 -0.43 3.41 -0.78 -4.71 113.62 112.72 1ig1 n SER 212 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1ig1 n SER 212 Cb 0.85 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 1ig1 n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ig1 n GLY 213 N 2.67 0.55 3.31 5.00 0.00 0.11 -4.90 105.19 111.93 1ig1 n GLY 213 Ca -0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1ig1 n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ig1 s ALA 214 N -2.00 1.92 -0.12 4.61 0.00 -1.26 -5.05 121.76 119.86 1ig1 s ALA 214 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 1ig1 s ALA 214 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1ig1 s ALA 214 CO 0.00 0.35 0.36 0.45 0.00 0.00 0.00 175.76 176.92 1ig1 s SER 215 N -2.09 6.57 0.30 0.00 0.15 -1.26 -3.73 113.70 113.64 1ig1 s SER 215 Ca 0.09 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.44 1ig1 s SER 215 Cb -0.09 -2.22 0.48 0.00 -1.71 0.00 0.00 66.02 62.48 1ig1 s SER 215 CO 0.05 0.12 1.80 1.55 1.20 0.00 0.00 173.24 177.96 1ig1 h PRO 216 N 6.30 0.57 -0.01 5.44 0.13 -1.92 -3.33 132.00 139.18 1ig1 h PRO 216 Ca -0.43 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1ig1 h PRO 216 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ig1 h PRO 216 CO 0.73 0.65 -0.03 1.19 -0.23 0.00 0.00 178.00 180.31 1ig1 n PHE 217 N -4.22 0.00 -1.68 1.56 3.72 -1.26 -4.47 117.46 111.11 1ig1 n PHE 217 Ca 0.01 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.94 1ig1 n PHE 217 Cb 0.31 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 1ig1 n PHE 217 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ig1 n LEU 218 N 0.17 3.51 0.00 4.37 7.94 -1.25 -4.42 117.00 127.32 1ig1 n LEU 218 Ca 0.03 0.99 -0.14 0.00 -1.11 0.00 0.00 56.01 55.77 1ig1 n LEU 218 Cb 0.14 -1.41 -0.00 0.00 0.53 0.00 0.00 43.42 42.67 1ig1 n LEU 218 CO 0.04 -0.05 0.01 0.61 -1.11 0.00 0.00 177.39 176.90 1ig1 n GLY 219 N 4.23 3.01 0.19 -3.96 0.00 -1.26 -4.94 105.19 102.46 1ig1 n GLY 219 Ca 0.21 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 44.11 1ig1 n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ig1 h ASP 220 N 0.39 0.00 -5.07 1.61 3.32 -1.94 -3.45 116.42 111.28 1ig1 h ASP 220 Ca -0.19 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.64 1ig1 h ASP 220 Cb 0.68 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.08 1ig1 h ASP 220 CO 0.30 0.00 -0.66 0.42 -1.72 0.00 0.00 179.24 177.59 1ig1 s THR 221 N -3.26 0.32 0.19 0.35 -4.23 -1.26 -5.05 115.64 102.71 1ig1 s THR 221 Ca 0.07 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 1ig1 s THR 221 Cb 0.08 -2.04 0.10 0.00 1.34 0.00 0.00 72.50 71.99 1ig1 s THR 221 CO 0.60 -0.50 1.81 0.11 -0.54 0.00 0.00 174.62 176.10 1ig1 h LYS 222 N 2.82 0.88 -0.87 3.99 1.57 -1.95 -1.94 116.57 121.07 1ig1 h LYS 222 Ca -0.36 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1ig1 h LYS 222 Cb 1.20 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1ig1 h LYS 222 CO 0.61 0.65 0.46 -0.56 -0.57 0.00 0.00 179.45 180.04 1ig1 h GLN 223 N 0.87 1.22 -0.55 3.15 -0.00 -1.97 -0.83 115.11 117.01 1ig1 h GLN 223 Ca 0.23 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.71 1ig1 h GLN 223 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.48 27.22 1ig1 h GLN 223 CO -0.04 0.90 0.26 0.93 -0.00 0.00 0.00 178.83 180.89 1ig1 h GLU 224 N 1.22 0.79 -0.31 0.06 5.08 -1.88 -0.37 114.58 119.18 1ig1 h GLU 224 Ca 0.30 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ig1 h GLU 224 Cb 0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ig1 h GLU 224 CO -0.05 0.65 0.18 1.15 -1.00 0.00 0.00 179.01 179.94 1ig1 h THR 225 N 0.74 1.12 -0.75 1.13 2.02 -0.81 -0.27 112.91 116.09 1ig1 h THR 225 Ca 0.19 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1ig1 h THR 225 Cb 0.12 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1ig1 h THR 225 CO -0.02 0.12 0.34 -0.07 0.37 0.00 0.00 175.52 176.25 1ig1 h LEU 226 N 0.38 0.99 -0.61 2.58 3.38 -0.98 -0.04 115.31 121.02 1ig1 h LEU 226 Ca 0.11 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ig1 h LEU 226 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1ig1 h LEU 226 CO -0.02 0.85 0.08 0.00 0.09 0.00 0.00 178.44 179.44 1ig1 h ALA 227 N 1.29 0.81 -0.53 1.53 0.00 -0.71 -1.57 119.26 120.09 1ig1 h ALA 227 Ca 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ig1 h ALA 227 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ig1 h ALA 227 CO -0.03 0.59 0.20 -0.91 0.00 0.00 0.00 179.25 179.10 1ig1 h ASN 228 N 0.93 0.74 -0.02 0.00 -0.26 -0.48 -2.30 115.58 114.19 1ig1 h ASN 228 Ca 0.18 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1ig1 h ASN 228 Cb 0.46 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1ig1 h ASN 228 CO 0.02 0.72 0.01 0.58 -1.06 0.00 0.00 177.43 177.69 1ig1 h VAL 229 N 0.72 1.03 -0.45 2.81 2.07 -0.80 0.29 116.25 121.92 1ig1 h VAL 229 Ca 0.18 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1ig1 h VAL 229 Cb 0.21 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1ig1 h VAL 229 CO -0.01 0.03 0.24 -1.28 0.02 0.00 0.00 177.57 176.56 1ig1 h SER 230 N -0.01 0.54 -0.02 0.57 0.87 -1.19 -1.33 113.55 112.98 1ig1 h SER 230 Ca 0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1ig1 h SER 230 Cb 0.03 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1ig1 h SER 230 CO -0.00 0.44 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 1ig1 n ALA 231 N -2.47 2.57 -3.76 6.23 0.00 -0.88 -4.92 120.51 117.28 1ig1 n ALA 231 Ca 0.03 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 1ig1 n ALA 231 Cb 0.10 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.42 1ig1 n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ig1 n VAL 232 N 0.19 -3.99 -2.82 0.00 0.31 -0.26 -4.87 118.33 106.89 1ig1 n VAL 232 Ca 0.19 -0.44 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 1ig1 n VAL 232 Cb 0.36 -3.50 -0.01 0.00 -0.91 0.00 0.00 33.84 29.78 1ig1 n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1ig1 s ASN 233 N -4.25 6.89 0.16 4.52 2.47 0.85 -4.94 114.94 120.63 1ig1 s ASN 233 Ca 0.07 -2.56 -0.13 0.00 0.42 0.00 0.00 52.86 50.67 1ig1 s ASN 233 Cb -0.04 -2.46 0.01 0.00 -1.45 0.00 0.00 41.25 37.31 1ig1 s ASN 233 CO 0.83 -0.97 0.36 -0.72 -3.72 0.00 0.00 177.10 172.87 1ig1 s TYR 234 N 2.73 0.10 0.15 0.43 1.13 -1.26 -4.63 117.35 116.01 1ig1 s TYR 234 Ca 0.44 -0.46 -0.20 0.00 -1.41 0.00 0.00 57.07 55.44 1ig1 s TYR 234 Cb -0.01 0.13 0.05 0.00 -1.10 0.00 0.00 41.96 41.03 1ig1 s TYR 234 CO -0.01 -0.75 0.51 -1.83 -2.51 0.00 0.00 175.55 170.96 1ig1 s GLU 235 N -3.90 1.21 -0.95 -3.49 -1.05 -1.26 -5.10 118.70 104.16 1ig1 s GLU 235 Ca 0.11 -0.61 -0.17 0.00 -0.15 0.00 0.00 54.97 54.14 1ig1 s GLU 235 Cb 0.02 0.53 0.15 0.00 -0.44 0.00 0.00 34.13 34.39 1ig1 s GLU 235 CO -0.04 -0.51 1.11 -0.06 0.95 0.00 0.00 175.26 176.71 1ig1 s PHE 236 N -3.79 3.26 0.07 4.83 0.08 -1.26 -5.01 117.98 116.17 1ig1 s PHE 236 Ca 0.03 -1.57 -0.34 0.00 0.12 0.00 0.00 56.93 55.17 1ig1 s PHE 236 Cb 0.00 -4.22 -0.13 0.00 -0.57 0.00 0.00 43.02 38.10 1ig1 s PHE 236 CO -0.11 -1.41 1.69 0.39 -0.10 0.00 0.00 175.22 175.68 1ig1 n GLU 237 N 6.06 2.16 -0.23 0.44 -0.58 -1.26 -4.75 120.64 122.48 1ig1 n GLU 237 Ca 0.24 0.79 0.08 0.00 -0.42 0.00 0.00 57.16 57.85 1ig1 n GLU 237 Cb 0.48 -2.58 0.35 0.00 -0.57 0.00 0.00 31.44 29.11 1ig1 n GLU 237 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1ig1 h ASP 238 N 7.16 0.69 -0.13 1.62 3.32 -1.95 0.22 116.42 127.36 1ig1 h ASP 238 Ca -0.46 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.64 1ig1 h ASP 238 Cb 1.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1ig1 h ASP 238 CO 0.91 0.42 0.11 -0.08 -1.72 0.00 0.00 179.24 178.87 1ig1 h GLU 239 N 0.77 0.00 0.00 3.56 4.81 -2.01 0.12 114.58 121.84 1ig1 h GLU 239 Ca 0.37 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.23 1ig1 h GLU 239 Cb 0.42 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 1ig1 h GLU 239 CO -0.14 0.00 -2.38 0.66 -0.73 0.00 0.00 179.01 176.41 1ig1 n TYR 240 N -4.28 0.08 -0.07 0.92 0.53 -0.20 -4.64 117.16 109.49 1ig1 n TYR 240 Ca 0.00 0.02 0.06 0.00 -1.02 0.00 0.00 57.90 56.96 1ig1 n TYR 240 Cb 0.23 -1.01 0.13 0.00 -1.03 0.00 0.00 39.34 37.66 1ig1 n TYR 240 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1ig1 n PHE 241 N -2.97 0.38 -0.27 -0.72 3.01 0.60 -4.70 117.46 112.80 1ig1 n PHE 241 Ca -0.37 -0.41 0.20 0.00 1.01 0.00 0.00 57.45 57.88 1ig1 n PHE 241 Cb 1.09 -0.02 0.51 0.00 -0.01 0.00 0.00 39.48 41.05 1ig1 n PHE 241 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ig1 h SER 242 N 2.05 0.42 -0.40 4.37 4.64 -0.95 -0.71 113.55 122.96 1ig1 h SER 242 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1ig1 h SER 242 Cb 0.68 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1ig1 h SER 242 CO 0.00 0.14 0.00 0.59 -0.87 0.00 0.00 176.83 176.69 1ig1 n ASN 243 N -4.54 4.50 -4.86 4.97 5.03 -1.26 -4.96 115.26 114.14 1ig1 n ASN 243 Ca 0.21 -2.88 -0.37 0.00 0.87 0.00 0.00 54.58 52.41 1ig1 n ASN 243 Cb 0.76 -0.57 -0.06 0.00 -1.02 0.00 0.00 39.78 38.89 1ig1 n ASN 243 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ig1 s THR 244 N -2.61 5.21 0.67 3.41 2.01 -0.27 -5.06 115.64 118.99 1ig1 s THR 244 Ca 0.46 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 1ig1 s THR 244 Cb 0.35 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1ig1 s THR 244 CO 0.13 0.56 1.16 -0.94 -0.69 0.00 0.00 174.62 174.84 1ig1 s SER 245 N -1.15 4.83 0.42 3.53 1.04 -1.26 -4.92 113.70 116.20 1ig1 s SER 245 Ca 0.22 2.19 0.17 0.00 0.48 0.00 0.00 55.95 59.01 1ig1 s SER 245 Cb -0.15 -2.57 0.92 0.00 0.10 0.00 0.00 66.02 64.32 1ig1 s SER 245 CO 0.11 -1.82 1.90 0.00 0.98 0.00 0.00 173.24 174.41 1ig1 h ALA 246 N 0.12 1.39 -0.36 5.32 0.00 -1.97 -2.53 119.26 121.22 1ig1 h ALA 246 Ca -0.48 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 1ig1 h ALA 246 Cb 1.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ig1 h ALA 246 CO 0.53 0.35 -0.20 -0.07 0.00 0.00 0.00 179.25 179.86 1ig1 h LEU 247 N 0.00 0.70 -0.53 0.00 3.38 -1.99 -0.01 115.31 116.86 1ig1 h LEU 247 Ca -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1ig1 h LEU 247 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ig1 h LEU 247 CO 0.04 0.89 0.12 0.00 0.09 0.00 0.00 178.44 179.58 1ig1 h ALA 248 N 1.16 0.70 -0.38 1.53 0.00 -1.83 -1.12 119.26 119.32 1ig1 h ALA 248 Ca 0.09 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1ig1 h ALA 248 Cb 0.68 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ig1 h ALA 248 CO 0.05 0.41 -0.16 0.87 0.00 0.00 0.00 179.25 180.42 1ig1 h LYS 249 N 0.75 0.71 -0.45 0.00 1.57 -1.28 -2.45 116.57 115.42 1ig1 h LYS 249 Ca 0.17 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ig1 h LYS 249 Cb 0.35 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1ig1 h LYS 249 CO 0.00 0.83 0.27 0.22 -0.57 0.00 0.00 179.45 180.21 1ig1 h ASP 250 N 0.64 0.54 -0.11 0.86 1.82 -0.63 0.98 116.42 120.51 1ig1 h ASP 250 Ca 0.10 -0.05 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1ig1 h ASP 250 Cb 0.63 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.46 1ig1 h ASP 250 CO 0.04 0.43 -0.11 0.15 -1.61 0.00 0.00 179.24 178.14 1ig1 h PHE 251 N 0.60 -0.28 -0.28 0.28 3.04 -0.95 -2.00 116.94 117.35 1ig1 h PHE 251 Ca 0.16 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1ig1 h PHE 251 Cb -0.01 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1ig1 h PHE 251 CO -0.03 -0.17 0.16 0.82 -2.02 0.00 0.00 178.31 177.07 1ig1 h ILE 252 N -0.14 1.12 -0.65 1.41 2.04 -1.16 -2.89 117.51 117.23 1ig1 h ILE 252 Ca 0.08 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.74 1ig1 h ILE 252 Cb 0.25 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1ig1 h ILE 252 CO -0.19 0.12 0.44 -0.09 0.00 0.00 0.00 178.15 178.42 1ig1 h ARG 253 N 0.35 0.43 -0.00 2.37 9.65 -0.48 -0.69 114.38 126.00 1ig1 h ARG 253 Ca 0.10 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1ig1 h ARG 253 Cb 0.05 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1ig1 h ARG 253 CO -0.02 0.28 -0.06 0.54 2.80 0.00 0.00 179.97 183.52 1ig1 n ARG 254 N -4.47 0.38 -0.11 0.20 1.74 -0.78 -3.67 116.66 109.95 1ig1 n ARG 254 Ca 0.11 -0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 1ig1 n ARG 254 Cb 0.41 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 1ig1 n ARG 254 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ig1 n LEU 255 N -1.26 2.20 -3.59 0.55 4.77 -0.38 -1.73 117.00 117.57 1ig1 n LEU 255 Ca 0.12 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1ig1 n LEU 255 Cb 0.28 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1ig1 n LEU 255 CO 0.25 0.76 2.53 0.18 -1.33 0.00 0.00 177.39 179.78 1ig1 n LEU 256 N -3.02 7.64 -4.26 2.23 4.77 -0.54 -4.32 117.00 119.51 1ig1 n LEU 256 Ca -0.37 -4.61 -0.33 0.00 -0.03 0.00 0.00 56.01 50.68 1ig1 n LEU 256 Cb 0.96 -1.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.42 1ig1 n LEU 256 CO 0.26 1.74 -0.49 -0.69 -1.33 0.00 0.00 177.39 176.88 1ig1 s VAL 257 N 0.59 2.57 0.13 4.08 1.01 -1.26 -4.94 120.40 122.57 1ig1 s VAL 257 Ca 0.52 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1ig1 s VAL 257 Cb 0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1ig1 s VAL 257 CO -0.06 0.52 1.75 0.50 0.00 0.00 0.00 175.10 177.82 1ig1 h LYS 258 N 7.21 0.18 -6.44 2.72 3.64 -1.96 -3.40 116.57 118.53 1ig1 h LYS 258 Ca -0.31 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.49 1ig1 h LYS 258 Cb 1.20 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1ig1 h LYS 258 CO 0.56 0.12 1.08 0.34 -2.27 0.00 0.00 179.45 179.28 1ig1 s ASP 259 N -5.31 6.35 0.46 4.20 -1.08 -1.26 -4.77 116.67 115.27 1ig1 s ASP 259 Ca -0.13 1.04 0.22 0.00 -0.52 0.00 0.00 52.55 53.16 1ig1 s ASP 259 Cb 0.10 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.25 1ig1 s ASP 259 CO 0.69 -1.38 1.87 -0.65 0.52 0.00 0.00 175.17 176.23 1ig1 h PRO 260 N 10.69 0.25 0.00 4.34 0.11 -1.97 -0.60 132.00 144.81 1ig1 h PRO 260 Ca -0.29 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1ig1 h PRO 260 Cb 1.12 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ig1 h PRO 260 CO 1.06 0.16 -0.17 0.87 -0.21 0.00 0.00 178.00 179.71 1ig1 h LYS 261 N 0.25 0.00 -0.01 1.05 1.57 -1.94 -3.00 116.57 114.50 1ig1 h LYS 261 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1ig1 h LYS 261 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1ig1 h LYS 261 CO -0.12 0.17 -0.66 1.63 -0.57 0.00 0.00 179.45 179.91 1ig1 n LYS 262 N -3.33 0.50 -2.52 3.15 5.02 -0.26 -4.95 118.16 115.78 1ig1 n LYS 262 Ca 0.00 -0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 55.55 1ig1 n LYS 262 Cb 0.40 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1ig1 n LYS 262 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ig1 s ARG 263 N -2.77 4.05 0.47 1.97 3.52 -1.07 -5.00 118.95 120.14 1ig1 s ARG 263 Ca 0.14 1.50 -0.24 0.00 -0.13 0.00 0.00 55.73 57.00 1ig1 s ARG 263 Cb 0.17 -2.43 -0.07 0.00 -1.56 0.00 0.00 34.95 31.06 1ig1 s ARG 263 CO 0.70 -0.24 1.37 -1.64 -0.81 0.00 0.00 175.30 174.68 1ig1 s MET 264 N -2.67 3.57 0.69 5.12 -1.94 -0.70 -5.01 119.30 118.36 1ig1 s MET 264 Ca 0.60 2.27 -0.02 0.00 -1.71 0.00 0.00 55.69 56.83 1ig1 s MET 264 Cb -0.21 -2.53 0.10 0.00 2.01 0.00 0.00 34.83 34.19 1ig1 s MET 264 CO 0.26 -0.85 0.96 0.95 -0.01 0.00 0.00 175.02 176.33 1ig1 s THR 265 N -1.27 2.29 0.31 2.05 -4.23 -1.26 -4.88 115.64 108.66 1ig1 s THR 265 Ca 0.64 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1ig1 s THR 265 Cb -0.41 -2.77 0.16 0.00 1.34 0.00 0.00 72.50 70.82 1ig1 s THR 265 CO 0.51 0.00 1.85 -0.29 -0.54 0.00 0.00 174.62 176.15 1ig1 h ILE 266 N -0.46 1.21 -0.39 2.99 6.09 -1.95 -0.76 117.51 124.23 1ig1 h ILE 266 Ca -0.40 -0.79 -0.13 0.00 -1.37 0.00 0.00 64.86 62.16 1ig1 h ILE 266 Cb 1.28 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.39 1ig1 h ILE 266 CO 0.47 0.28 -0.29 1.56 -3.07 0.00 0.00 178.15 177.10 1ig1 h GLN 267 N 0.63 0.85 -0.48 2.19 4.20 -1.98 -2.38 115.11 118.15 1ig1 h GLN 267 Ca 0.14 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1ig1 h GLN 267 Cb 0.31 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1ig1 h GLN 267 CO 0.01 1.03 0.27 -0.44 -0.67 0.00 0.00 178.83 179.03 1ig1 h ASP 268 N 0.72 0.59 -0.46 1.46 3.32 -1.76 -2.50 116.42 117.79 1ig1 h ASP 268 Ca 0.08 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ig1 h ASP 268 Cb 0.84 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1ig1 h ASP 268 CO 0.07 0.50 0.27 0.77 -1.72 0.00 0.00 179.24 179.14 1ig1 h SER 269 N 0.63 0.58 1.38 6.45 4.64 -0.97 -0.52 113.55 125.74 1ig1 h SER 269 Ca 0.17 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1ig1 h SER 269 Cb 0.03 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1ig1 h SER 269 CO -0.03 0.46 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.18 1ig1 h LEU 270 N 0.67 0.00 -0.69 5.97 3.38 -1.10 -3.13 115.31 120.41 1ig1 h LEU 270 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ig1 h LEU 270 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ig1 h LEU 270 CO -0.03 0.14 -0.59 0.00 0.09 0.00 0.00 178.44 178.05 1ig1 n GLN 271 N -3.20 0.85 -1.77 1.13 1.13 -0.72 -3.67 117.38 111.13 1ig1 n GLN 271 Ca 0.02 -0.69 -0.41 0.00 -1.94 0.00 0.00 57.00 53.98 1ig1 n GLN 271 Cb 0.48 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.34 1ig1 n GLN 271 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1ig1 s HIS 272 N -2.62 2.67 0.52 1.08 2.46 -0.28 -4.57 115.29 114.54 1ig1 s HIS 272 Ca 0.16 0.92 0.35 0.00 0.47 0.00 0.00 55.06 56.96 1ig1 s HIS 272 Cb 0.18 -4.07 1.50 0.00 -0.13 0.00 0.00 32.58 30.06 1ig1 s HIS 272 CO 0.65 -3.41 1.79 -1.35 -2.47 0.00 0.00 174.74 169.95 1ig1 h PRO 273 N 4.09 0.05 -0.03 2.88 0.11 -1.91 0.30 132.00 137.49 1ig1 h PRO 273 Ca -0.49 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1ig1 h PRO 273 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ig1 h PRO 273 CO 0.73 0.03 -0.63 2.35 -0.21 0.00 0.00 178.00 180.28 1ig1 h TRP 274 N 0.05 0.17 0.01 0.65 7.01 -1.89 -3.36 115.95 118.58 1ig1 h TRP 274 Ca 0.59 -0.07 -0.38 0.00 2.11 0.00 0.00 58.89 61.14 1ig1 h TRP 274 Cb 2.23 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 29.21 1ig1 h TRP 274 CO -0.00 0.72 -2.12 -0.89 -2.79 0.00 0.00 178.44 173.36 1ig1 n ILE 275 N -3.83 1.54 -1.71 2.65 2.08 0.27 -4.96 119.36 115.41 1ig1 n ILE 275 Ca -0.02 -0.31 -0.58 0.00 0.56 0.00 0.00 62.75 62.40 1ig1 n ILE 275 Cb 0.63 -1.88 -0.07 0.00 -0.75 0.00 0.00 39.64 37.56 1ig1 n ILE 275 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1ig1 n LYS 276 N -4.18 1.09 0.00 0.38 3.00 0.78 -5.00 118.16 114.23 1ig1 n LYS 276 Ca -0.46 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1ig1 n LYS 276 Cb 0.84 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1ig1 n LYS 276 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ig1 n PRO 277 N 5.27 0.86 0.00 1.64 -0.04 -1.26 -4.88 135.00 136.58 1ig1 n PRO 277 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1ig1 n PRO 277 Cb 0.12 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1ig1 n PRO 277 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ig1 n PRO 291 N -0.32 0.00 -0.78 0.54 -0.02 -1.26 -5.15 135.00 128.01 1ig1 n PRO 291 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ig1 n PRO 291 Cb 0.07 -0.02 0.28 0.00 -0.02 0.00 0.00 33.50 33.81 1ig1 n PRO 291 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ig1 n GLN 292 N -0.17 3.27 -4.32 -0.52 0.00 -1.26 -4.81 117.38 109.58 1ig1 n GLN 292 Ca 0.00 -3.03 -0.27 0.00 0.00 0.00 0.00 57.00 53.70 1ig1 n GLN 292 Cb 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 30.24 28.12 1ig1 n GLN 292 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1ig1 s PHE 293 N -2.96 2.43 -1.74 2.61 0.08 -1.26 -4.87 117.98 112.26 1ig1 s PHE 293 Ca 0.49 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1ig1 s PHE 293 Cb 0.40 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 1ig1 s PHE 293 CO 0.10 0.21 0.43 -0.85 -0.10 0.00 0.00 175.22 175.02