#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg1 h ASN 2 N 0.00 0.43 -3.36 1.61 2.35 -1.88 -3.36 115.58 111.37 1cg1 h ASN 2 Ca 0.00 -0.70 -0.73 0.00 -0.55 0.00 0.00 56.30 54.32 1cg1 h ASN 2 Cb 0.00 -0.13 -0.24 0.00 0.05 0.00 0.00 38.32 38.00 1cg1 h ASN 2 CO 0.00 1.07 -0.38 0.20 -1.65 0.00 0.00 177.43 176.67 1cg1 s ASN 3 N -6.51 5.97 -0.09 5.81 0.02 -1.26 -0.31 114.94 118.58 1cg1 s ASN 3 Ca -0.14 -1.38 -0.00 0.00 -1.02 0.00 0.00 52.86 50.32 1cg1 s ASN 3 Cb 0.03 -2.12 -0.03 0.00 0.02 0.00 0.00 41.25 39.16 1cg1 s ASN 3 CO 0.79 -0.61 -0.06 -0.69 0.02 0.00 0.00 177.10 176.55 1cg1 s VAL 4 N 1.57 3.75 -0.15 1.60 1.01 -0.50 -0.81 120.40 126.86 1cg1 s VAL 4 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1cg1 s VAL 4 Cb -0.24 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1cg1 s VAL 4 CO 0.05 0.58 -0.09 -0.69 0.00 0.00 0.00 175.10 174.95 1cg1 s VAL 5 N -0.57 3.33 -0.22 2.92 1.01 0.73 -0.46 120.40 127.13 1cg1 s VAL 5 Ca 0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1cg1 s VAL 5 Cb -0.12 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1cg1 s VAL 5 CO 0.02 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 1cg1 s VAL 6 N 0.58 2.83 0.06 2.92 1.01 0.21 0.23 120.40 128.24 1cg1 s VAL 6 Ca -0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1cg1 s VAL 6 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1cg1 s VAL 6 CO 0.03 0.37 0.03 -1.48 0.00 0.00 0.00 175.10 174.05 1cg1 s LEU 7 N 1.37 2.19 -0.22 3.92 -0.00 -0.52 0.71 118.68 126.13 1cg1 s LEU 7 Ca 0.03 -0.88 -0.26 0.00 -0.00 0.00 0.00 54.13 53.02 1cg1 s LEU 7 Cb -0.15 0.43 -0.00 0.00 -0.00 0.00 0.00 46.19 46.46 1cg1 s LEU 7 CO -0.06 -0.62 0.90 -0.83 -0.00 0.00 0.00 176.35 175.73 1cg1 s GLY 8 N -2.85 1.84 0.00 -3.48 0.00 -1.25 0.45 107.32 102.04 1cg1 s GLY 8 Ca 0.06 0.02 0.25 0.00 0.00 0.00 0.00 44.72 45.04 1cg1 s GLY 8 CO -0.10 1.90 1.95 -1.30 0.00 0.00 0.00 173.10 175.55 1cg1 n THR 9 N 5.14 0.01 0.00 0.90 -2.24 -0.31 -0.79 114.28 116.98 1cg1 n THR 9 Ca 0.07 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1cg1 n THR 9 Cb 0.47 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1cg1 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cg1 n GLN 10 N -0.83 0.00 -2.35 -0.78 6.02 -1.26 -4.41 117.38 113.77 1cg1 n GLN 10 Ca 0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.95 1cg1 n GLN 10 Cb 0.10 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.38 1cg1 n GLN 10 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1cg1 n TRP 11 N 0.00 2.82 0.00 1.08 8.01 -1.26 -0.93 117.44 127.15 1cg1 n TRP 11 Ca 0.00 -2.69 0.00 0.00 -1.31 0.00 0.00 57.50 53.50 1cg1 n TRP 11 Cb 0.00 -0.21 0.00 0.00 -2.01 0.00 0.00 31.31 29.09 1cg1 n TRP 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1cg1 n GLY 12 N -0.54 -1.15 2.29 6.99 0.00 -1.26 -4.56 105.19 106.97 1cg1 n GLY 12 Ca 0.36 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1cg1 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cg1 n ASP 13 N -1.05 -3.25 0.21 1.61 8.00 -1.26 -4.82 116.55 115.99 1cg1 n ASP 13 Ca 0.00 0.25 0.10 0.00 0.71 0.00 0.00 54.79 55.85 1cg1 n ASP 13 Cb 0.00 -2.86 0.23 0.00 -0.02 0.00 0.00 41.12 38.47 1cg1 n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1cg1 h GLU 14 N 0.00 0.00 0.00 -1.24 3.07 -1.92 -3.47 114.58 111.02 1cg1 h GLU 14 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1cg1 h GLU 14 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1cg1 h GLU 14 CO 0.29 0.17 0.00 0.41 -1.40 0.00 0.00 179.01 178.48 1cg1 n GLY 15 N 0.88 1.21 0.27 -3.84 0.00 -1.26 -4.33 105.19 98.12 1cg1 n GLY 15 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1cg1 n GLY 15 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1cg1 h GLN 16 N 0.00 0.92 0.01 1.61 4.20 -1.94 -2.93 115.11 116.98 1cg1 h GLN 16 Ca 0.00 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.49 1cg1 h GLN 16 Cb 0.00 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.62 1cg1 h GLN 16 CO 0.00 0.88 -0.50 0.78 -0.67 0.00 0.00 178.83 179.33 1cg1 h GLY 17 N 0.82 -1.00 0.13 3.46 0.00 -1.91 0.53 103.07 105.10 1cg1 h GLY 17 Ca 0.17 0.61 0.09 0.00 0.00 0.00 0.00 47.33 48.20 1cg1 h GLY 17 CO 0.01 -0.24 -0.11 1.70 0.00 0.00 0.00 176.54 177.89 1cg1 h LYS 18 N -0.65 -0.01 -0.23 4.80 3.64 -1.59 0.83 116.57 123.36 1cg1 h LYS 18 Ca 0.02 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1cg1 h LYS 18 Cb 0.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1cg1 h LYS 18 CO -0.34 -0.00 -0.08 0.82 -2.27 0.00 0.00 179.45 177.57 1cg1 h ILE 19 N -0.01 1.19 -0.10 2.00 1.08 -1.01 -1.09 117.51 119.57 1cg1 h ILE 19 Ca 0.21 -0.80 -0.06 0.00 -0.39 0.00 0.00 64.86 63.82 1cg1 h ILE 19 Cb 0.32 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1cg1 h ILE 19 CO -0.45 0.26 -0.19 0.58 -0.69 0.00 0.00 178.15 177.66 1cg1 h VAL 20 N 0.34 1.39 -0.95 1.67 2.07 0.15 -1.96 116.25 118.96 1cg1 h VAL 20 Ca 0.07 -1.48 0.10 0.00 0.82 0.00 0.00 66.70 66.21 1cg1 h VAL 20 Cb 0.37 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1cg1 h VAL 20 CO 0.02 0.42 0.61 -0.78 0.02 0.00 0.00 177.57 177.86 1cg1 h ASP 21 N -0.15 0.88 0.24 0.57 3.58 -0.55 -1.36 116.42 119.64 1cg1 h ASP 21 Ca 0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1cg1 h ASP 21 Cb 0.77 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1cg1 h ASP 21 CO 0.04 0.52 -0.12 0.25 -2.88 0.00 0.00 179.24 177.05 1cg1 h LEU 22 N 0.97 -0.27 -0.44 2.28 5.85 -1.15 -3.30 115.31 119.25 1cg1 h LEU 22 Ca 0.44 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1cg1 h LEU 22 Cb 0.38 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1cg1 h LEU 22 CO -0.20 0.09 0.00 -0.07 -0.34 0.00 0.00 178.44 177.92 1cg1 h LEU 23 N -0.66 0.00 -0.11 2.25 3.38 -1.06 -3.19 115.31 115.91 1cg1 h LEU 23 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1cg1 h LEU 23 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1cg1 h LEU 23 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1cg1 n THR 24 N -2.52 1.22 -0.13 0.22 -2.24 -0.54 -3.22 114.28 107.07 1cg1 n THR 24 Ca 0.03 0.32 0.27 0.00 -2.27 0.00 0.00 64.05 62.41 1cg1 n THR 24 Cb 0.37 -1.15 0.72 0.00 -2.10 0.00 0.00 70.33 68.16 1cg1 n THR 24 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1cg1 h GLU 25 N 0.00 0.00 -0.01 -0.78 4.81 -1.73 0.23 114.58 117.10 1cg1 h GLU 25 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cg1 h GLU 25 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1cg1 h GLU 25 CO 0.00 0.00 -0.10 0.54 -0.73 0.00 0.00 179.01 178.72 1cg1 n ARG 26 N -4.13 1.26 -3.13 1.92 1.74 -1.20 -5.03 116.66 108.09 1cg1 n ARG 26 Ca 0.17 -1.09 -0.33 0.00 -0.77 0.00 0.00 57.85 55.83 1cg1 n ARG 26 Cb 0.92 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1cg1 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cg1 s ALA 27 N -1.31 3.32 -0.14 7.54 0.00 0.82 -4.75 121.76 127.24 1cg1 s ALA 27 Ca 0.14 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 1cg1 s ALA 27 Cb 0.11 -2.78 -0.25 0.00 0.00 0.00 0.00 23.12 20.21 1cg1 s ALA 27 CO 0.23 0.33 0.48 0.87 0.00 0.00 0.00 175.76 177.66 1cg1 h LYS 28 N 2.32 0.16 -5.72 0.00 1.79 -1.20 -3.39 116.57 110.52 1cg1 h LYS 28 Ca -0.48 -0.27 -0.50 0.00 -2.18 0.00 0.00 60.65 57.22 1cg1 h LYS 28 Cb 1.18 0.10 -0.14 0.00 -1.58 0.00 0.00 32.23 31.78 1cg1 h LYS 28 CO 0.65 1.13 -0.73 0.71 -1.08 0.00 0.00 179.45 180.13 1cg1 s TYR 29 N -2.43 1.92 -0.03 -1.35 2.02 -1.14 -0.22 117.35 116.12 1cg1 s TYR 29 Ca -0.22 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 1cg1 s TYR 29 Cb 0.04 -0.92 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1cg1 s TYR 29 CO 0.71 0.44 0.04 0.08 -1.57 0.00 0.00 175.55 175.24 1cg1 s VAL 30 N -2.86 -0.01 -0.10 0.71 1.01 -0.97 -1.01 120.40 117.17 1cg1 s VAL 30 Ca 0.26 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1cg1 s VAL 30 Cb -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1cg1 s VAL 30 CO 0.10 0.15 -0.14 -0.69 0.00 0.00 0.00 175.10 174.52 1cg1 s VAL 31 N 1.58 1.39 0.03 2.92 1.01 0.16 -0.28 120.40 127.21 1cg1 s VAL 31 Ca -0.02 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1cg1 s VAL 31 Cb -0.13 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1cg1 s VAL 31 CO -0.03 0.42 0.58 -0.13 0.00 0.00 0.00 175.10 175.93 1cg1 s ARG 32 N 0.92 4.26 0.00 2.72 1.81 -0.81 0.42 118.95 128.27 1cg1 s ARG 32 Ca -0.09 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 54.65 1cg1 s ARG 32 Cb -0.15 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 1cg1 s ARG 32 CO -0.00 0.50 0.21 2.48 -0.68 0.00 0.00 175.30 177.81 1cg1 n TYR 33 N 2.25 0.00 -3.55 -0.53 0.18 -1.26 -1.10 117.16 113.15 1cg1 n TYR 33 Ca -0.09 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.59 1cg1 n TYR 33 Cb 0.51 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.45 1cg1 n TYR 33 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1cg1 s GLN 34 N -0.28 1.43 0.96 -3.48 1.03 -1.26 -3.62 119.66 114.43 1cg1 s GLN 34 Ca 0.00 -0.62 0.00 0.00 0.04 0.00 0.00 55.36 54.78 1cg1 s GLN 34 Cb 0.00 0.59 0.00 0.00 0.03 0.00 0.00 33.01 33.63 1cg1 s GLN 34 CO 0.00 -0.64 0.00 0.41 -2.54 0.00 0.00 175.29 172.52 1cg1 n GLY 35 N -0.40 -1.87 0.00 2.60 0.00 -1.26 -4.62 105.19 99.64 1cg1 n GLY 35 Ca -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1cg1 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cg1 n GLY 36 N 0.00 4.34 1.56 -0.02 0.00 -1.26 -0.38 105.19 109.44 1cg1 n GLY 36 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 1cg1 n GLY 36 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cg1 n HIS 37 N 0.00 1.62 0.07 1.61 1.44 -1.26 -3.70 115.22 115.00 1cg1 n HIS 37 Ca 0.00 -0.74 -0.07 0.00 -2.01 0.00 0.00 57.72 54.90 1cg1 n HIS 37 Cb 0.00 -0.48 -0.09 0.00 0.12 0.00 0.00 29.99 29.55 1cg1 n HIS 37 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1cg1 h ASN 38 N 2.23 0.05 -3.87 4.39 -1.07 -1.95 -3.46 115.58 111.90 1cg1 h ASN 38 Ca 0.11 -0.05 -0.47 0.00 0.07 0.00 0.00 56.30 55.96 1cg1 h ASN 38 Cb 1.73 -0.01 0.17 0.00 -2.07 0.00 0.00 38.32 38.13 1cg1 h ASN 38 CO 0.45 0.99 0.18 0.00 0.07 0.00 0.00 177.43 179.12 1cg1 s ALA 39 N -2.82 0.92 -0.33 4.14 0.00 -1.24 -4.78 121.76 117.66 1cg1 s ALA 39 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1cg1 s ALA 39 Cb 0.10 -3.24 0.19 0.00 0.00 0.00 0.00 23.12 20.17 1cg1 s ALA 39 CO 0.82 -2.87 0.61 0.20 0.00 0.00 0.00 175.76 174.52 1cg1 s GLY 40 N -3.06 -1.27 -0.21 0.00 0.00 -1.25 -4.53 107.32 97.00 1cg1 s GLY 40 Ca 0.65 0.80 -0.05 0.00 0.00 0.00 0.00 44.72 46.12 1cg1 s GLY 40 CO 0.59 3.69 0.00 0.30 0.00 0.00 0.00 173.10 177.69 1cg1 s HIS 41 N 2.51 3.03 -0.32 1.90 3.76 0.30 -4.63 115.29 121.84 1cg1 s HIS 41 Ca 0.12 -0.50 -0.18 0.00 -0.15 0.00 0.00 55.06 54.34 1cg1 s HIS 41 Cb -0.08 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 1cg1 s HIS 41 CO -0.20 -0.28 0.54 0.99 -0.85 0.00 0.00 174.74 174.94 1cg1 s THR 42 N 1.11 5.01 -0.04 1.30 2.01 -1.26 0.35 115.64 124.12 1cg1 s THR 42 Ca 0.02 0.55 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 1cg1 s THR 42 Cb -0.14 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1cg1 s THR 42 CO 0.01 -0.14 0.07 -0.76 -0.69 0.00 0.00 174.62 173.11 1cg1 s LEU 43 N 2.43 3.87 -0.16 4.42 1.02 0.35 -3.50 118.68 127.11 1cg1 s LEU 43 Ca 0.20 0.18 -0.05 0.00 0.02 0.00 0.00 54.13 54.49 1cg1 s LEU 43 Cb -0.15 -2.13 0.06 0.00 0.02 0.00 0.00 46.19 43.99 1cg1 s LEU 43 CO 0.12 0.32 0.08 -0.69 0.02 0.00 0.00 176.35 176.20 1cg1 s VAL 44 N -1.10 -0.04 -0.21 -1.59 1.01 -1.26 0.23 120.40 117.44 1cg1 s VAL 44 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1cg1 s VAL 44 Cb -0.12 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.71 1cg1 s VAL 44 CO 0.10 -0.24 -0.14 -0.63 0.00 0.00 0.00 175.10 174.19 1cg1 s ILE 45 N 2.12 2.40 -1.63 2.22 1.09 0.86 -1.01 121.20 127.25 1cg1 s ILE 45 Ca 0.02 -1.03 -0.16 0.00 -1.10 0.00 0.00 60.65 58.38 1cg1 s ILE 45 Cb -0.16 -2.13 0.13 0.00 -1.06 0.00 0.00 42.46 39.23 1cg1 s ILE 45 CO -0.08 0.36 0.86 0.59 -0.10 0.00 0.00 174.94 176.57 1cg1 n ASN 46 N 4.62 -3.86 0.00 3.58 4.13 -1.26 0.03 115.26 122.50 1cg1 n ASN 46 Ca -0.19 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.16 1cg1 n ASN 46 Cb 0.48 -3.23 0.00 0.00 -1.54 0.00 0.00 39.78 35.49 1cg1 n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cg1 n GLY 47 N -1.53 2.55 3.61 7.41 0.00 -1.26 -5.01 105.19 110.96 1cg1 n GLY 47 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1cg1 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cg1 s GLU 48 N -0.53 3.92 0.02 1.61 2.12 0.11 -5.03 118.70 120.92 1cg1 s GLU 48 Ca 0.00 0.44 -0.18 0.00 0.36 0.00 0.00 54.97 55.59 1cg1 s GLU 48 Cb 0.00 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.60 1cg1 s GLU 48 CO 0.00 -0.64 0.53 0.21 -0.54 0.00 0.00 175.26 174.82 1cg1 s LYS 49 N 2.80 4.18 -0.03 4.30 2.20 -1.26 -0.10 119.74 131.83 1cg1 s LYS 49 Ca 0.29 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1cg1 s LYS 49 Cb -0.14 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1cg1 s LYS 49 CO 0.12 0.54 -0.07 0.99 -0.36 0.00 0.00 175.35 176.57 1cg1 s THR 50 N -0.70 0.65 -0.23 3.43 2.01 0.13 -4.98 115.64 115.96 1cg1 s THR 50 Ca 0.28 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1cg1 s THR 50 Cb -0.18 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.76 1cg1 s THR 50 CO 0.16 0.22 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.51 1cg1 s VAL 51 N 0.39 2.46 0.05 3.82 1.01 -1.26 0.13 120.40 127.00 1cg1 s VAL 51 Ca -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1cg1 s VAL 51 Cb -0.10 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1cg1 s VAL 51 CO 0.00 0.27 0.17 -0.76 0.00 0.00 0.00 175.10 174.78 1cg1 s LEU 52 N 1.27 4.19 0.02 3.92 1.43 0.16 -4.88 118.68 124.78 1cg1 s LEU 52 Ca -0.00 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1cg1 s LEU 52 Cb -0.16 -2.76 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 1cg1 s LEU 52 CO -0.07 0.19 -0.01 1.41 0.23 0.00 0.00 176.35 178.09 1cg1 n HIS 53 N 0.47 0.00 -0.07 0.29 8.25 -1.26 -0.54 115.22 122.36 1cg1 n HIS 53 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 1cg1 n HIS 53 Cb 0.51 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 31.46 1cg1 n HIS 53 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1cg1 n LEU 54 N -2.81 0.49 -4.69 2.41 7.94 -1.26 -4.55 117.00 114.53 1cg1 n LEU 54 Ca -0.00 0.16 -0.42 0.00 -1.11 0.00 0.00 56.01 54.63 1cg1 n LEU 54 Cb 0.02 0.29 -0.03 0.00 0.53 0.00 0.00 43.42 44.23 1cg1 n LEU 54 CO 0.01 0.48 0.97 -0.63 -1.11 0.00 0.00 177.39 177.11 1cg1 s ILE 55 N -2.53 4.12 0.67 1.96 1.01 -1.26 -4.98 121.20 120.20 1cg1 s ILE 55 Ca -0.09 1.48 -0.17 0.00 0.00 0.00 0.00 60.65 61.87 1cg1 s ILE 55 Cb 0.07 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1cg1 s ILE 55 CO 0.82 0.02 0.98 -2.65 0.00 0.00 0.00 174.94 174.11 1cg1 n PRO 56 N 5.00 0.68 0.00 2.79 -0.02 -1.26 -4.85 135.00 137.34 1cg1 n PRO 56 Ca 0.11 0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 1cg1 n PRO 56 Cb 0.46 -2.22 0.22 0.00 -0.02 0.00 0.00 33.50 31.94 1cg1 n PRO 56 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1cg1 n SER 57 N -1.36 0.00 -0.63 2.55 7.64 -1.26 -1.98 113.62 118.58 1cg1 n SER 57 Ca 0.14 0.14 0.12 0.00 1.01 0.00 0.00 58.87 60.28 1cg1 n SER 57 Cb 0.49 -0.27 0.39 0.00 -1.01 0.00 0.00 64.21 63.80 1cg1 n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cg1 n GLY 58 N -0.55 0.39 0.34 0.23 0.00 -1.26 -4.00 105.19 100.35 1cg1 n GLY 58 Ca 0.04 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.73 1cg1 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cg1 h ILE 59 N 2.82 0.07 -0.01 -0.61 6.09 -1.75 0.04 117.51 124.16 1cg1 h ILE 59 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1cg1 h ILE 59 Cb 0.61 0.67 0.00 0.00 0.47 0.00 0.00 36.82 38.57 1cg1 h ILE 59 CO 0.00 0.00 -0.29 0.18 -3.07 0.00 0.00 178.15 174.97 1cg1 n LEU 60 N -3.04 1.21 -4.39 2.19 4.77 -1.26 -4.78 117.00 111.70 1cg1 n LEU 60 Ca -0.01 -0.35 -0.39 0.00 -0.03 0.00 0.00 56.01 55.23 1cg1 n LEU 60 Cb 0.41 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 1cg1 n LEU 60 CO 0.16 0.23 -0.20 -0.13 -1.33 0.00 0.00 177.39 176.12 1cg1 s ARG 61 N -2.48 3.04 0.38 3.23 0.52 -0.00 -4.95 118.95 118.68 1cg1 s ARG 61 Ca 0.24 -0.92 0.27 0.00 -0.52 0.00 0.00 55.73 54.80 1cg1 s ARG 61 Cb 0.19 -3.61 1.34 0.00 0.52 0.00 0.00 34.95 33.40 1cg1 s ARG 61 CO 0.52 -0.56 1.82 1.05 0.02 0.00 0.00 175.30 178.15 1cg1 h GLU 62 N 8.36 0.00 0.00 3.54 -0.00 -1.86 -1.72 114.58 122.91 1cg1 h GLU 62 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 1cg1 h GLU 62 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1cg1 h GLU 62 CO 0.64 0.00 0.00 0.27 -0.00 0.00 0.00 179.01 179.92 1cg1 n ASN 63 N -2.46 0.00 -4.61 3.06 0.23 -1.26 -4.81 115.26 105.41 1cg1 n ASN 63 Ca -0.01 0.45 -0.34 0.00 -0.53 0.00 0.00 54.58 54.15 1cg1 n ASN 63 Cb 0.11 -0.48 -0.11 0.00 -2.08 0.00 0.00 39.78 37.23 1cg1 n ASN 63 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1cg1 s VAL 64 N -2.96 3.84 -0.28 3.53 1.01 -0.65 -4.67 120.40 120.22 1cg1 s VAL 64 Ca 0.15 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1cg1 s VAL 64 Cb 0.19 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1cg1 s VAL 64 CO 0.51 0.57 0.23 -0.89 0.00 0.00 0.00 175.10 175.52 1cg1 s THR 65 N -0.86 5.28 -0.07 3.92 2.01 0.69 -4.88 115.64 121.74 1cg1 s THR 65 Ca 0.13 0.25 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 1cg1 s THR 65 Cb -0.11 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1cg1 s THR 65 CO 0.03 0.23 0.60 -0.44 -0.69 0.00 0.00 174.62 174.34 1cg1 s SER 66 N 1.73 6.88 -0.08 3.53 0.01 0.30 -2.30 113.70 123.77 1cg1 s SER 66 Ca 0.09 1.06 0.03 0.00 1.31 0.00 0.00 55.95 58.43 1cg1 s SER 66 Cb -0.16 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1cg1 s SER 66 CO 0.11 -0.02 -0.17 -0.63 0.41 0.00 0.00 173.24 172.94 1cg1 s ILE 67 N 0.49 1.51 -0.53 1.44 1.01 0.62 -0.35 121.20 125.38 1cg1 s ILE 67 Ca 0.32 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 60.09 1cg1 s ILE 67 Cb -0.17 -1.35 0.08 0.00 0.01 0.00 0.00 42.46 41.03 1cg1 s ILE 67 CO 0.15 0.44 0.62 -0.63 0.00 0.00 0.00 174.94 175.52 1cg1 s ILE 68 N 0.58 4.92 0.74 2.92 1.01 -0.41 -1.92 121.20 129.03 1cg1 s ILE 68 Ca -0.15 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1cg1 s ILE 68 Cb -0.17 -4.34 0.03 0.00 0.01 0.00 0.00 42.46 37.99 1cg1 s ILE 68 CO 0.05 -0.89 1.08 -0.83 0.00 0.00 0.00 174.94 174.35 1cg1 s GLY 69 N 3.04 1.64 0.66 6.18 0.00 -0.26 -1.39 107.32 117.19 1cg1 s GLY 69 Ca 0.12 -0.11 0.27 0.00 0.00 0.00 0.00 44.72 44.99 1cg1 s GLY 69 CO 0.09 0.25 1.82 3.45 0.00 0.00 0.00 173.10 178.71 1cg1 h ASN 70 N -0.86 0.00 1.66 1.64 -1.07 -1.76 -0.05 115.58 115.14 1cg1 h ASN 70 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1cg1 h ASN 70 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1cg1 h ASN 70 CO 0.59 0.00 0.00 1.23 0.07 0.00 0.00 177.43 179.32 1cg1 h GLY 71 N 0.00 0.00 -4.19 9.14 0.00 -1.26 -3.39 103.07 103.36 1cg1 h GLY 71 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1cg1 h GLY 71 CO 0.00 0.00 0.44 0.14 0.00 0.00 0.00 176.54 177.12 1cg1 s VAL 72 N -3.34 4.20 -0.37 4.60 1.01 -0.04 -4.15 120.40 122.31 1cg1 s VAL 72 Ca 0.05 1.78 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 1cg1 s VAL 72 Cb 0.07 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1cg1 s VAL 72 CO 0.62 0.25 0.68 0.68 0.00 0.00 0.00 175.10 177.34 1cg1 s VAL 73 N 0.19 4.83 -0.30 2.92 -7.23 0.49 -3.76 120.40 117.54 1cg1 s VAL 73 Ca 0.50 0.60 -0.10 0.00 -1.81 0.00 0.00 61.98 61.17 1cg1 s VAL 73 Cb -0.27 -4.14 -0.02 0.00 0.56 0.00 0.00 36.38 32.51 1cg1 s VAL 73 CO 0.32 -0.40 0.16 -0.22 -0.31 0.00 0.00 175.10 174.64 1cg1 s LEU 74 N 2.86 4.03 -0.42 1.32 2.96 0.20 -4.30 118.68 125.33 1cg1 s LEU 74 Ca 0.26 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 1cg1 s LEU 74 Cb -0.14 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.54 1cg1 s LEU 74 CO 0.16 -0.14 0.67 -0.55 -1.32 0.00 0.00 176.35 175.17 1cg1 s SER 75 N 1.66 6.36 0.24 3.68 0.15 -1.26 -1.30 113.70 123.24 1cg1 s SER 75 Ca 0.06 -0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.47 1cg1 s SER 75 Cb -0.16 -2.33 0.39 0.00 -1.71 0.00 0.00 66.02 62.20 1cg1 s SER 75 CO 0.07 -0.76 1.81 -0.65 1.20 0.00 0.00 173.24 174.92 1cg1 h PRO 76 N 8.80 0.78 0.02 5.44 0.11 -1.98 0.11 132.00 145.29 1cg1 h PRO 76 Ca -0.25 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1cg1 h PRO 76 Cb 1.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1cg1 h PRO 76 CO 0.89 0.52 -0.01 0.00 -0.21 0.00 0.00 178.00 179.19 1cg1 h ALA 77 N 1.45 -0.03 -0.51 -0.75 0.00 -1.93 -1.40 119.26 116.09 1cg1 h ALA 77 Ca 0.39 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1cg1 h ALA 77 Cb 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1cg1 h ALA 77 CO -0.24 -0.50 0.27 0.00 0.00 0.00 0.00 179.25 178.79 1cg1 h ALA 78 N 0.91 0.65 -0.04 0.00 0.00 -1.65 -1.69 119.26 117.43 1cg1 h ALA 78 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cg1 h ALA 78 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1cg1 h ALA 78 CO 0.01 -0.05 -0.04 1.25 0.00 0.00 0.00 179.25 180.41 1cg1 h LEU 79 N 0.54 -0.12 -0.76 0.00 5.85 -0.58 -2.44 115.31 117.80 1cg1 h LEU 79 Ca 0.21 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1cg1 h LEU 79 Cb 0.09 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1cg1 h LEU 79 CO -0.13 -0.06 0.47 0.24 -0.34 0.00 0.00 178.44 178.62 1cg1 h MET 80 N -0.05 0.86 -0.54 1.25 2.86 -0.92 0.36 114.93 118.74 1cg1 h MET 80 Ca 0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1cg1 h MET 80 Cb 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1cg1 h MET 80 CO -0.08 0.57 0.27 -0.22 1.06 0.00 0.00 176.91 178.51 1cg1 h LYS 81 N 0.88 0.78 -0.20 1.72 3.64 -1.13 -2.07 116.57 120.19 1cg1 h LYS 81 Ca 0.32 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.42 1cg1 h LYS 81 Cb 0.10 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1cg1 h LYS 81 CO -0.14 0.63 -0.58 0.93 -2.27 0.00 0.00 179.45 178.01 1cg1 h GLU 82 N 0.73 0.65 0.20 1.90 5.08 -0.97 -2.75 114.58 119.41 1cg1 h GLU 82 Ca 0.19 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1cg1 h GLU 82 Cb 0.10 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1cg1 h GLU 82 CO -0.03 1.05 -0.13 0.52 -1.00 0.00 0.00 179.01 179.42 1cg1 h MET 83 N 0.49 -0.31 -0.48 2.33 2.86 -0.83 -0.28 114.93 118.71 1cg1 h MET 83 Ca 0.00 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1cg1 h MET 83 Cb 1.15 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.84 1cg1 h MET 83 CO 0.11 -0.21 0.24 -0.22 1.06 0.00 0.00 176.91 177.90 1cg1 h LYS 84 N -0.32 0.47 -0.79 1.72 3.11 -1.45 0.41 116.57 119.71 1cg1 h LYS 84 Ca -0.02 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1cg1 h LYS 84 Cb 0.27 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.36 1cg1 h LYS 84 CO 0.01 0.31 0.46 0.93 -2.81 0.00 0.00 179.45 178.35 1cg1 h GLU 85 N 0.48 1.09 0.12 1.90 5.08 -1.31 -1.02 114.58 120.92 1cg1 h GLU 85 Ca 0.21 -0.11 -0.29 0.00 -1.00 0.00 0.00 59.36 58.17 1cg1 h GLU 85 Cb 0.12 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.17 1cg1 h GLU 85 CO -0.15 0.79 -1.23 -0.07 -1.00 0.00 0.00 179.01 177.35 1cg1 h LEU 86 N 1.09 0.76 -0.60 1.33 3.38 -0.47 -3.23 115.31 117.57 1cg1 h LEU 86 Ca 0.28 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1cg1 h LEU 86 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1cg1 h LEU 86 CO -0.05 1.53 0.37 -0.33 0.09 0.00 0.00 178.44 180.05 1cg1 h GLU 87 N 0.23 0.81 -0.23 1.13 5.08 -0.08 -0.65 114.58 120.87 1cg1 h GLU 87 Ca -0.17 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1cg1 h GLU 87 Cb 1.91 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 1cg1 h GLU 87 CO 0.23 0.57 0.29 -0.44 -1.00 0.00 0.00 179.01 178.66 1cg1 h ASP 88 N 0.81 0.00 -0.57 1.42 3.45 -1.26 0.20 116.42 120.46 1cg1 h ASP 88 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1cg1 h ASP 88 Cb -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1cg1 h ASP 88 CO -0.04 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.17 1cg1 n ARG 89 N -3.66 4.06 -0.76 3.56 1.74 -0.37 -4.93 116.66 116.31 1cg1 n ARG 89 Ca 0.03 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 1cg1 n ARG 89 Cb 0.42 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1cg1 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cg1 n GLY 90 N 0.85 0.80 3.46 -0.13 0.00 0.70 -5.01 105.19 105.86 1cg1 n GLY 90 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1cg1 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cg1 s ILE 91 N -3.05 4.85 -0.81 -0.61 1.09 -0.50 -4.95 121.20 117.21 1cg1 s ILE 91 Ca 0.00 -0.38 -0.14 0.00 -1.10 0.00 0.00 60.65 59.03 1cg1 s ILE 91 Cb 0.00 -4.29 -0.10 0.00 -1.06 0.00 0.00 42.46 37.01 1cg1 s ILE 91 CO 0.00 -0.79 1.98 -0.81 -0.10 0.00 0.00 174.94 175.22 1cg1 n PRO 92 N 6.23 1.72 -0.35 2.79 -0.04 -1.26 -3.03 135.00 141.07 1cg1 n PRO 92 Ca -0.06 -1.61 0.02 0.00 -0.04 0.00 0.00 63.50 61.81 1cg1 n PRO 92 Cb 0.46 -2.66 0.08 0.00 -0.04 0.00 0.00 33.50 31.33 1cg1 n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cg1 n VAL 93 N 5.12 -0.44 0.24 0.52 0.31 -1.26 -0.98 118.33 121.83 1cg1 n VAL 93 Ca 0.45 2.14 0.14 0.00 -0.01 0.00 0.00 64.34 67.07 1cg1 n VAL 93 Cb 0.26 -2.89 0.77 0.00 -0.91 0.00 0.00 33.84 31.07 1cg1 n VAL 93 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1cg1 h ARG 94 N 0.00 0.00 0.00 5.55 3.08 -1.89 -0.52 114.38 120.60 1cg1 h ARG 94 Ca 0.38 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.19 1cg1 h ARG 94 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1cg1 h ARG 94 CO -0.93 0.00 -1.69 0.39 -1.07 0.00 0.00 179.97 176.67 1cg1 n GLU 95 N -2.56 0.64 0.02 0.04 1.02 -0.15 -4.38 120.64 115.26 1cg1 n GLU 95 Ca -0.02 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 1cg1 n GLU 95 Cb 0.14 -1.75 -0.11 0.00 -0.02 0.00 0.00 31.44 29.70 1cg1 n GLU 95 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1cg1 n ARG 96 N -2.89 0.61 -4.09 3.49 1.74 -0.53 -4.97 116.66 110.02 1cg1 n ARG 96 Ca -0.15 -0.10 -0.36 0.00 -0.77 0.00 0.00 57.85 56.47 1cg1 n ARG 96 Cb 0.95 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.70 1cg1 n ARG 96 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1cg1 s LEU 97 N -4.68 3.98 0.15 0.55 2.96 -0.32 0.11 118.68 121.43 1cg1 s LEU 97 Ca -0.05 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.19 1cg1 s LEU 97 Cb 0.13 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1cg1 s LEU 97 CO 0.87 0.36 -0.12 -0.76 -1.32 0.00 0.00 176.35 175.38 1cg1 s LEU 98 N -0.74 2.49 0.23 -0.68 1.43 0.52 -4.83 118.68 117.10 1cg1 s LEU 98 Ca 0.12 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.21 1cg1 s LEU 98 Cb -0.12 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1cg1 s LEU 98 CO 0.03 -0.24 0.30 -1.48 0.23 0.00 0.00 176.35 175.19 1cg1 s LEU 99 N -2.96 0.77 -0.13 1.79 0.05 0.67 -1.29 118.68 117.57 1cg1 s LEU 99 Ca 0.15 -1.18 -0.12 0.00 0.05 0.00 0.00 54.13 53.03 1cg1 s LEU 99 Cb -0.01 1.04 -0.05 0.00 -2.05 0.00 0.00 46.19 45.13 1cg1 s LEU 99 CO 0.03 -0.99 0.26 -0.55 -0.55 0.00 0.00 176.35 174.54 1cg1 s SER 100 N -3.10 6.45 0.17 1.48 0.15 -0.49 -1.77 113.70 116.59 1cg1 s SER 100 Ca 0.31 0.53 0.18 0.00 0.70 0.00 0.00 55.95 57.67 1cg1 s SER 100 Cb 0.03 -2.16 0.79 0.00 -1.71 0.00 0.00 66.02 62.98 1cg1 s SER 100 CO 0.11 0.20 1.54 -1.84 1.20 0.00 0.00 173.24 174.45 1cg1 n GLU 101 N 3.01 0.11 0.00 5.44 0.28 -1.26 -1.58 120.64 126.63 1cg1 n GLU 101 Ca -0.14 0.43 0.13 0.00 -0.16 0.00 0.00 57.16 57.42 1cg1 n GLU 101 Cb 0.53 -1.74 0.47 0.00 1.43 0.00 0.00 31.44 32.13 1cg1 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1cg1 n ALA 102 N -1.67 2.93 -2.07 -1.84 0.00 -1.26 -0.07 120.51 116.53 1cg1 n ALA 102 Ca 0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1cg1 n ALA 102 Cb 0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1cg1 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cg1 s PRO 104 N 1.65 1.94 -0.10 0.00 0.02 -1.25 -1.42 135.00 135.84 1cg1 s PRO 104 Ca 0.68 1.05 -0.03 0.00 0.02 0.00 0.00 61.00 62.72 1cg1 s PRO 104 Cb -0.38 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 1cg1 s PRO 104 CO 0.30 -1.83 0.02 -0.51 -0.33 0.00 0.00 177.00 174.65 1cg1 s LEU 105 N -6.01 3.67 -0.31 -5.54 1.43 -0.57 -0.63 118.68 110.72 1cg1 s LEU 105 Ca 0.62 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1cg1 s LEU 105 Cb -0.17 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1cg1 s LEU 105 CO 0.56 0.36 0.18 -0.63 0.23 0.00 0.00 176.35 177.06 1cg1 s ILE 106 N -0.80 4.93 0.41 -0.59 1.01 -0.42 -4.77 121.20 120.97 1cg1 s ILE 106 Ca 0.12 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1cg1 s ILE 106 Cb -0.12 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1cg1 s ILE 106 CO 0.02 0.10 0.19 -0.76 0.00 0.00 0.00 174.94 174.50 1cg1 s LEU 107 N 1.68 3.15 0.40 2.97 1.43 -1.26 -4.26 118.68 122.79 1cg1 s LEU 107 Ca 0.06 -1.02 0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1cg1 s LEU 107 Cb -0.17 -1.52 1.07 0.00 0.03 0.00 0.00 46.19 45.59 1cg1 s LEU 107 CO 0.08 -0.53 1.81 0.44 0.23 0.00 0.00 176.35 178.38 1cg1 h ASP 108 N 1.40 0.46 -0.06 2.29 5.19 -1.98 -0.80 116.42 122.92 1cg1 h ASP 108 Ca -0.43 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 1cg1 h ASP 108 Cb 1.25 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1cg1 h ASP 108 CO 0.68 0.14 -0.00 0.10 -3.12 0.00 0.00 179.24 177.04 1cg1 h TYR 109 N 0.43 0.18 -0.45 4.55 -0.00 -1.96 -1.52 116.97 118.19 1cg1 h TYR 109 Ca 0.54 -0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.20 1cg1 h TYR 109 Cb 1.32 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.97 1cg1 h TYR 109 CO -0.00 0.19 0.02 0.45 -0.00 0.00 0.00 178.16 178.82 1cg1 h HIS 110 N 0.18 0.75 -0.31 0.10 3.86 -1.49 0.12 115.15 118.36 1cg1 h HIS 110 Ca 0.04 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 1cg1 h HIS 110 Cb 0.13 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1cg1 h HIS 110 CO 0.00 0.69 -0.20 0.28 0.86 0.00 0.00 177.93 179.57 1cg1 h VAL 111 N 0.68 1.29 -0.99 2.45 2.07 -1.31 -0.06 116.25 120.38 1cg1 h VAL 111 Ca 0.14 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1cg1 h VAL 111 Cb 0.39 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1cg1 h VAL 111 CO 0.01 0.43 0.65 0.00 0.02 0.00 0.00 177.57 178.69 1cg1 h ALA 112 N 0.75 1.29 -0.16 1.67 0.00 -0.75 -1.54 119.26 120.51 1cg1 h ALA 112 Ca 0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1cg1 h ALA 112 Cb 0.74 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1cg1 h ALA 112 CO 0.05 0.66 -0.16 -0.07 0.00 0.00 0.00 179.25 179.73 1cg1 h LEU 113 N 1.34 0.43 -0.66 0.00 3.38 -0.59 -0.99 115.31 118.22 1cg1 h LEU 113 Ca 0.36 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1cg1 h LEU 113 Cb -0.15 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 1cg1 h LEU 113 CO -0.08 0.82 0.35 -0.78 0.09 0.00 0.00 178.44 178.84 1cg1 h ASP 114 N 0.04 0.51 -0.26 -0.43 -0.00 -0.76 0.21 116.42 115.73 1cg1 h ASP 114 Ca 0.03 0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 57.06 1cg1 h ASP 114 Cb 0.70 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.96 1cg1 h ASP 114 CO 0.04 0.32 0.04 0.78 -0.00 0.00 0.00 179.24 180.42 1cg1 h ASN 115 N 0.64 0.42 0.72 2.28 -0.26 -1.25 -0.08 115.58 118.06 1cg1 h ASN 115 Ca 0.30 -0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 1cg1 h ASN 115 Cb 0.23 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1cg1 h ASN 115 CO -0.20 0.58 -0.48 0.00 -1.06 0.00 0.00 177.43 176.27 1cg1 h ALA 116 N 0.86 -1.21 -0.41 -0.83 0.00 -0.56 0.96 119.26 118.07 1cg1 h ALA 116 Ca 0.08 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1cg1 h ALA 116 Cb 0.34 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1cg1 h ALA 116 CO 0.01 -1.20 -0.08 0.00 0.00 0.00 0.00 179.25 177.97 1cg1 h ARG 117 N -1.14 0.02 -0.57 0.00 2.47 -0.55 0.48 114.38 115.08 1cg1 h ARG 117 Ca -0.09 -0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.71 1cg1 h ARG 117 Cb 0.93 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.18 1cg1 h ARG 117 CO 0.07 0.01 0.20 1.49 0.56 0.00 0.00 179.97 182.30 1cg1 h GLU 118 N 0.02 0.36 0.50 0.04 4.57 -0.87 -0.58 114.58 118.62 1cg1 h GLU 118 Ca 0.20 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1cg1 h GLU 118 Cb 0.30 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1cg1 h GLU 118 CO -0.41 0.24 -0.36 -0.22 -1.18 0.00 0.00 179.01 177.09 1cg1 h LYS 119 N 0.37 -0.80 -1.03 1.92 1.63 0.13 -2.61 116.57 116.18 1cg1 h LYS 119 Ca 0.28 0.05 0.27 0.00 -0.85 0.00 0.00 60.65 60.41 1cg1 h LYS 119 Cb 0.34 0.18 -0.12 0.00 -0.60 0.00 0.00 32.23 32.03 1cg1 h LYS 119 CO -0.29 -0.54 0.62 0.00 -3.45 0.00 0.00 179.45 175.79 1cg1 h ALA 120 N -0.45 1.96 0.00 5.00 0.00 0.12 0.32 119.26 126.22 1cg1 h ALA 120 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cg1 h ALA 120 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cg1 h ALA 120 CO 0.02 -0.45 0.00 0.54 0.00 0.00 0.00 179.25 179.36 1cg1 n ARG 121 N -4.84 0.06 0.00 0.00 1.74 -0.36 -4.92 116.66 108.33 1cg1 n ARG 121 Ca 0.28 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 1cg1 n ARG 121 Cb 0.85 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1cg1 n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cg1 n GLY 122 N -0.78 2.94 0.37 -0.13 0.00 0.11 -0.52 105.19 107.19 1cg1 n GLY 122 Ca 0.01 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1cg1 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cg1 h ALA 123 N -0.36 1.94 -0.29 4.61 0.00 -1.91 -2.00 119.26 121.25 1cg1 h ALA 123 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1cg1 h ALA 123 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1cg1 h ALA 123 CO 0.00 -0.16 0.21 0.36 0.00 0.00 0.00 179.25 179.66 1cg1 n LYS 124 N -4.53 1.41 -1.97 0.00 2.85 0.32 -4.93 118.16 111.31 1cg1 n LYS 124 Ca 0.16 -0.89 -0.42 0.00 -1.05 0.00 0.00 58.31 56.11 1cg1 n LYS 124 Cb 0.48 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.48 1cg1 n LYS 124 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cg1 s ALA 125 N -1.00 3.74 0.37 0.58 0.00 -0.76 -4.88 121.76 119.81 1cg1 s ALA 125 Ca 0.17 1.32 0.08 0.00 0.00 0.00 0.00 51.96 53.54 1cg1 s ALA 125 Cb 0.14 -3.61 0.81 0.00 0.00 0.00 0.00 23.12 20.46 1cg1 s ALA 125 CO 0.02 -0.76 1.93 0.82 0.00 0.00 0.00 175.76 177.76 1cg1 h ILE 126 N 4.09 0.93 -0.56 0.00 2.04 -1.92 -3.42 117.51 118.67 1cg1 h ILE 126 Ca -0.42 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1cg1 h ILE 126 Cb 1.20 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1cg1 h ILE 126 CO 0.91 0.12 0.00 0.61 0.00 0.00 0.00 178.15 179.79 1cg1 n GLY 127 N -1.45 0.97 3.72 5.37 0.00 -1.26 -1.93 105.19 110.61 1cg1 n GLY 127 Ca 0.13 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1cg1 n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cg1 s THR 128 N -2.54 2.86 -2.00 2.61 -4.23 -1.26 -4.53 115.64 106.54 1cg1 s THR 128 Ca 0.00 0.28 0.13 0.00 -1.18 0.00 0.00 61.69 60.91 1cg1 s THR 128 Cb 0.00 -2.67 0.36 0.00 1.34 0.00 0.00 72.50 71.52 1cg1 s THR 128 CO 0.00 -0.36 1.19 0.35 -0.54 0.00 0.00 174.62 175.26 1cg1 n THR 129 N -3.81 0.00 -1.27 3.99 -2.24 -1.26 -4.85 114.28 104.84 1cg1 n THR 129 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1cg1 n THR 129 Cb 0.54 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 1cg1 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg1 n GLY 130 N 0.08 1.09 3.90 3.38 0.00 -1.26 -4.92 105.19 107.46 1cg1 n GLY 130 Ca 0.09 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1cg1 n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cg1 s ARG 131 N -2.67 2.86 -0.26 1.61 3.00 -1.26 -4.93 118.95 117.29 1cg1 s ARG 131 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 55.73 54.52 1cg1 s ARG 131 Cb 0.00 -2.59 0.16 0.00 0.00 0.00 0.00 34.95 32.52 1cg1 s ARG 131 CO 0.00 0.08 2.06 0.41 0.00 0.00 0.00 175.30 177.84 1cg1 n GLY 132 N -1.47 3.81 0.20 -3.53 0.00 -1.26 -4.69 105.19 98.25 1cg1 n GLY 132 Ca -0.01 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1cg1 n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1cg1 h ILE 133 N 1.04 0.00 -0.03 -0.61 1.08 -1.94 -0.49 117.51 116.56 1cg1 h ILE 133 Ca 0.24 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.74 1cg1 h ILE 133 Cb 0.93 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1cg1 h ILE 133 CO 0.62 0.00 -0.22 1.23 -0.69 0.00 0.00 178.15 179.09 1cg1 h GLY 134 N -0.28 -0.29 0.44 5.37 0.00 -1.95 -1.52 103.07 104.84 1cg1 h GLY 134 Ca 0.01 0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.72 1cg1 h GLY 134 CO -0.16 -0.19 0.59 -2.55 0.00 0.00 0.00 176.54 174.24 1cg1 h PRO 135 N -0.33 0.90 -0.54 4.80 0.11 -1.84 0.26 132.00 135.36 1cg1 h PRO 135 Ca 0.07 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1cg1 h PRO 135 Cb 0.42 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1cg1 h PRO 135 CO -0.22 0.60 0.10 0.00 -0.21 0.00 0.00 178.00 178.27 1cg1 h ALA 136 N 1.53 1.17 -0.11 -0.75 0.00 -0.37 -1.39 119.26 119.34 1cg1 h ALA 136 Ca 0.49 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1cg1 h ALA 136 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cg1 h ALA 136 CO -0.28 0.56 -0.50 1.88 0.00 0.00 0.00 179.25 180.91 1cg1 h TYR 137 N 0.80 0.37 -0.05 0.00 -1.99 -0.01 -2.12 116.97 113.97 1cg1 h TYR 137 Ca 0.17 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1cg1 h TYR 137 Cb 0.34 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.99 1cg1 h TYR 137 CO 0.02 0.74 0.02 0.93 -0.00 0.00 0.00 178.16 179.87 1cg1 h GLU 138 N 0.24 0.07 -0.83 4.88 5.08 -0.17 -1.72 114.58 122.13 1cg1 h GLU 138 Ca 0.01 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1cg1 h GLU 138 Cb 0.97 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1cg1 h GLU 138 CO 0.08 0.21 0.54 -0.44 -1.00 0.00 0.00 179.01 178.40 1cg1 h ASP 139 N -0.09 0.90 0.61 1.42 3.45 -1.17 0.27 116.42 121.81 1cg1 h ASP 139 Ca 0.02 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1cg1 h ASP 139 Cb 0.17 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1cg1 h ASP 139 CO -0.00 0.63 -0.45 0.50 -1.57 0.00 0.00 179.24 178.35 1cg1 h LYS 140 N 1.06 -0.99 -0.36 3.56 3.64 -1.23 -0.51 116.57 121.74 1cg1 h LYS 140 Ca 0.32 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.78 1cg1 h LYS 140 Cb -0.04 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1cg1 h LYS 140 CO -0.10 -0.66 0.24 -0.24 -2.27 0.00 0.00 179.45 176.42 1cg1 h VAL 141 N -1.03 1.08 0.00 2.00 3.04 -0.89 0.97 116.25 121.41 1cg1 h VAL 141 Ca -0.07 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1cg1 h VAL 141 Cb 0.86 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1cg1 h VAL 141 CO 0.02 0.08 0.00 0.00 -1.01 0.00 0.00 177.57 176.67 1cg1 h ALA 142 N 1.78 1.00 -0.81 3.17 0.00 -0.27 -3.47 119.26 120.65 1cg1 h ALA 142 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1cg1 h ALA 142 Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1cg1 h ALA 142 CO -0.03 0.00 -0.17 0.54 0.00 0.00 0.00 179.25 179.59 1cg1 n ARG 143 N -2.64 -0.56 -0.00 0.00 3.00 0.33 -4.90 116.66 111.89 1cg1 n ARG 143 Ca 0.03 0.49 0.04 0.00 -0.01 0.00 0.00 57.85 58.40 1cg1 n ARG 143 Cb 0.35 -4.37 -0.06 0.00 0.00 0.00 0.00 32.46 28.38 1cg1 n ARG 143 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1cg1 n ARG 144 N -2.07 1.51 -1.72 5.56 1.85 -0.71 -5.04 116.66 116.04 1cg1 n ARG 144 Ca -0.08 -0.05 -0.34 0.00 -1.00 0.00 0.00 57.85 56.37 1cg1 n ARG 144 Cb 0.46 -1.11 0.06 0.00 -1.05 0.00 0.00 32.46 30.82 1cg1 n ARG 144 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1cg1 s GLY 145 N -2.61 2.35 0.33 2.89 0.00 -0.81 -4.92 107.32 104.54 1cg1 s GLY 145 Ca -0.01 0.75 -0.11 0.00 0.00 0.00 0.00 44.72 45.35 1cg1 s GLY 145 CO 0.35 1.13 0.69 1.08 0.00 0.00 0.00 173.10 176.35 1cg1 s LEU 146 N -4.76 4.00 0.22 0.66 2.01 -1.26 -4.90 118.68 114.64 1cg1 s LEU 146 Ca 0.72 1.08 0.02 0.00 0.01 0.00 0.00 54.13 55.96 1cg1 s LEU 146 Cb -0.25 -3.91 -0.05 0.00 0.01 0.00 0.00 46.19 41.99 1cg1 s LEU 146 CO 0.40 -0.25 0.02 -0.13 1.01 0.00 0.00 176.35 177.40 1cg1 s ARG 147 N -3.35 1.28 0.31 1.70 0.52 -1.26 -1.51 118.95 116.64 1cg1 s ARG 147 Ca 0.50 -1.65 0.07 0.00 -0.52 0.00 0.00 55.73 54.14 1cg1 s ARG 147 Cb -0.10 -0.43 0.80 0.00 0.52 0.00 0.00 34.95 35.74 1cg1 s ARG 147 CO 0.25 -0.15 1.74 0.28 0.02 0.00 0.00 175.30 177.44 1cg1 h VAL 148 N 2.52 0.59 0.00 3.52 2.07 -1.17 0.16 116.25 123.95 1cg1 h VAL 148 Ca -0.38 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1cg1 h VAL 148 Cb 1.22 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1cg1 h VAL 148 CO 0.63 0.11 -0.02 1.23 0.02 0.00 0.00 177.57 179.55 1cg1 h GLY 149 N 0.62 0.00 2.00 2.17 0.00 -0.77 -1.84 103.07 105.25 1cg1 h GLY 149 Ca 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 1cg1 h GLY 149 CO -0.45 0.00 -0.06 -0.55 0.00 0.00 0.00 176.54 175.49 1cg1 h ASP 150 N 0.00 0.00 0.25 0.19 3.32 -0.94 -1.42 116.42 117.82 1cg1 h ASP 150 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cg1 h ASP 150 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1cg1 h ASP 150 CO 0.00 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 1cg1 n LEU 151 N -3.38 0.00 0.00 1.55 4.77 -0.69 -3.03 117.00 116.22 1cg1 n LEU 151 Ca -0.02 0.24 0.03 0.00 -0.03 0.00 0.00 56.01 56.24 1cg1 n LEU 151 Cb 0.20 -0.24 0.16 0.00 -2.33 0.00 0.00 43.42 41.22 1cg1 n LEU 151 CO 0.27 -0.12 0.54 0.49 -1.33 0.00 0.00 177.39 177.24 1cg1 n PHE 152 N -1.24 0.00 -3.11 -1.77 0.99 -0.54 -4.02 117.46 107.76 1cg1 n PHE 152 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.54 1cg1 n PHE 152 Cb 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.59 1cg1 n PHE 152 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1cg1 s ASP 153 N -1.32 -1.31 0.43 4.37 3.68 -1.17 -5.06 116.67 116.29 1cg1 s ASP 153 Ca 0.08 -0.69 0.14 0.00 2.13 0.00 0.00 52.55 54.21 1cg1 s ASP 153 Cb 0.04 1.68 1.02 0.00 -1.45 0.00 0.00 42.92 44.20 1cg1 s ASP 153 CO 0.06 -0.14 1.95 0.11 0.13 0.00 0.00 175.17 177.28 1cg1 h LYS 154 N 6.63 0.42 0.33 4.34 1.57 -1.80 -0.45 116.57 127.61 1cg1 h LYS 154 Ca 0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1cg1 h LYS 154 Cb 1.19 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1cg1 h LYS 154 CO 0.06 0.28 -0.16 0.93 -0.57 0.00 0.00 179.45 179.99 1cg1 h GLU 155 N 0.44 -0.43 -0.43 3.15 5.08 -1.96 -1.00 114.58 119.43 1cg1 h GLU 155 Ca 0.32 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1cg1 h GLU 155 Cb 0.66 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1cg1 h GLU 155 CO -0.10 -0.12 0.29 1.15 -1.00 0.00 0.00 179.01 179.23 1cg1 h THR 156 N -0.76 1.11 -0.33 1.13 2.02 -1.89 -1.71 112.91 112.47 1cg1 h THR 156 Ca -0.05 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1cg1 h THR 156 Cb 0.51 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1cg1 h THR 156 CO 0.08 0.11 0.10 0.15 0.37 0.00 0.00 175.52 176.33 1cg1 h PHE 157 N 0.58 0.53 -0.90 3.16 3.57 -0.88 -0.86 116.94 122.14 1cg1 h PHE 157 Ca 0.16 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1cg1 h PHE 157 Cb -0.06 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.46 1cg1 h PHE 157 CO -0.00 0.53 0.56 0.00 -2.23 0.00 0.00 178.31 177.17 1cg1 h ALA 158 N 0.94 1.28 0.31 2.41 0.00 -0.62 0.33 119.26 123.90 1cg1 h ALA 158 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1cg1 h ALA 158 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1cg1 h ALA 158 CO -0.00 0.26 -0.15 0.93 0.00 0.00 0.00 179.25 180.29 1cg1 h GLU 159 N 0.97 -0.40 -0.57 0.00 5.08 -1.00 -2.63 114.58 116.04 1cg1 h GLU 159 Ca 0.41 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.87 1cg1 h GLU 159 Cb 0.27 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1cg1 h GLU 159 CO -0.21 -0.12 0.25 0.87 -1.00 0.00 0.00 179.01 178.80 1cg1 h LYS 160 N -0.65 0.45 -0.46 2.33 1.57 -0.58 -2.16 116.57 117.06 1cg1 h LYS 160 Ca -0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1cg1 h LYS 160 Cb 0.46 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1cg1 h LYS 160 CO 0.07 0.30 0.05 1.25 -0.57 0.00 0.00 179.45 180.55 1cg1 h LEU 161 N 0.46 0.68 0.40 2.94 5.85 -0.40 -2.07 115.31 123.18 1cg1 h LEU 161 Ca 0.27 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1cg1 h LEU 161 Cb 0.27 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1cg1 h LEU 161 CO -0.24 0.72 -0.29 0.50 -0.34 0.00 0.00 178.44 178.79 1cg1 h LYS 162 N 0.69 -0.65 -0.22 1.25 3.64 -1.01 -0.20 116.57 120.08 1cg1 h LYS 162 Ca 0.15 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1cg1 h LYS 162 Cb 0.35 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 1cg1 h LYS 162 CO 0.01 -0.43 -0.23 0.93 -2.27 0.00 0.00 179.45 177.45 1cg1 h GLU 163 N -0.68 -0.24 -0.20 1.90 5.08 -1.34 0.01 114.58 119.12 1cg1 h GLU 163 Ca -0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1cg1 h GLU 163 Cb 0.58 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1cg1 h GLU 163 CO 0.01 -0.16 0.13 -0.24 -1.00 0.00 0.00 179.01 177.75 1cg1 h VAL 164 N -0.25 1.07 -0.57 3.13 3.04 -1.18 -1.94 116.25 119.55 1cg1 h VAL 164 Ca 0.13 -0.15 -0.07 0.00 -1.01 0.00 0.00 66.70 65.59 1cg1 h VAL 164 Cb 0.44 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 1cg1 h VAL 164 CO -0.37 0.07 0.06 0.24 -1.01 0.00 0.00 177.57 176.56 1cg1 h MET 165 N 0.25 0.94 -0.07 4.17 2.86 -0.87 -0.10 114.93 122.11 1cg1 h MET 165 Ca 0.07 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1cg1 h MET 165 Cb -0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1cg1 h MET 165 CO -0.01 0.89 -0.05 0.93 1.06 0.00 0.00 176.91 179.72 1cg1 h GLU 166 N 0.88 -0.05 -0.11 1.72 5.08 -0.84 0.81 114.58 122.06 1cg1 h GLU 166 Ca 0.17 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1cg1 h GLU 166 Cb 0.43 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1cg1 h GLU 166 CO 0.01 -0.04 -0.40 -0.92 -1.00 0.00 0.00 179.01 176.67 1cg1 h TYR 167 N -0.06 -1.12 -0.30 4.33 3.20 -0.90 0.48 116.97 122.60 1cg1 h TYR 167 Ca 0.05 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 1cg1 h TYR 167 Cb 0.13 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1cg1 h TYR 167 CO -0.16 -0.46 -0.33 0.45 -1.64 0.00 0.00 178.16 176.02 1cg1 h HIS 168 N -0.48 0.76 -0.71 -3.82 3.86 -0.82 -3.04 115.15 110.89 1cg1 h HIS 168 Ca 0.08 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 1cg1 h HIS 168 Cb 0.61 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1cg1 h HIS 168 CO -0.46 0.90 0.26 -0.91 0.86 0.00 0.00 177.93 178.58 1cg1 h ASN 169 N 0.55 0.99 -0.48 2.45 2.35 0.11 0.61 115.58 122.16 1cg1 h ASN 169 Ca 0.06 -0.16 0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1cg1 h ASN 169 Cb 0.83 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.87 1cg1 h ASN 169 CO 0.07 0.90 0.08 0.15 -1.65 0.00 0.00 177.43 176.98 1cg1 h PHE 170 N 1.04 0.12 -0.27 1.19 3.57 -0.80 -1.07 116.94 120.72 1cg1 h PHE 170 Ca 0.24 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 1cg1 h PHE 170 Cb 0.24 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1cg1 h PHE 170 CO 0.02 -0.02 -0.03 0.37 -2.23 0.00 0.00 178.31 176.42 1cg1 h GLN 171 N 0.21 0.50 -0.43 1.11 4.15 -1.38 -2.04 115.11 117.22 1cg1 h GLN 171 Ca 0.24 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.53 1cg1 h GLN 171 Cb 0.33 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 1cg1 h GLN 171 CO -0.33 0.68 0.18 -0.07 -1.93 0.00 0.00 178.83 177.36 1cg1 h LEU 172 N 0.27 0.24 0.00 -2.39 3.38 -0.27 -2.17 115.31 114.36 1cg1 h LEU 172 Ca 0.07 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1cg1 h LEU 172 Cb 0.47 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1cg1 h LEU 172 CO 0.02 0.17 -0.43 -0.37 0.09 0.00 0.00 178.44 177.92 1cg1 h VAL 173 N 0.37 0.83 -0.58 1.22 -1.51 -1.20 0.78 116.25 116.17 1cg1 h VAL 173 Ca 0.19 -1.76 -0.06 0.00 -1.23 0.00 0.00 66.70 63.84 1cg1 h VAL 173 Cb 0.14 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 30.98 1cg1 h VAL 173 CO -0.17 0.28 0.12 0.78 -1.23 0.00 0.00 177.57 177.35 1cg1 h ASN 174 N -1.00 0.87 0.00 4.19 2.35 -1.49 -1.29 115.58 119.22 1cg1 h ASN 174 Ca -0.09 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.40 1cg1 h ASN 174 Cb 0.77 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1cg1 h ASN 174 CO -0.06 0.86 -1.19 0.00 -1.65 0.00 0.00 177.43 175.40 1cg1 n TYR 175 N -4.25 0.11 0.40 1.19 4.19 -0.88 -4.55 117.16 113.37 1cg1 n TYR 175 Ca 0.04 0.05 0.13 0.00 3.31 0.00 0.00 57.90 61.43 1cg1 n TYR 175 Cb 0.25 -0.61 0.36 0.00 0.49 0.00 0.00 39.34 39.84 1cg1 n TYR 175 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1cg1 h TYR 176 N -1.00 0.00 -5.38 2.98 -1.99 -1.47 -3.47 116.97 106.65 1cg1 h TYR 176 Ca -0.11 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.27 1cg1 h TYR 176 Cb 1.05 0.00 0.13 0.00 2.00 0.00 0.00 36.73 39.91 1cg1 h TYR 176 CO -0.35 0.00 -0.63 1.63 -0.00 0.00 0.00 178.16 178.81 1cg1 n LYS 177 N -2.69 -7.03 -4.07 4.88 5.02 -0.49 -4.98 118.16 108.80 1cg1 n LYS 177 Ca 0.04 0.75 -0.23 0.00 -2.02 0.00 0.00 58.31 56.86 1cg1 n LYS 177 Cb 0.43 -5.57 -0.06 0.00 -0.02 0.00 0.00 35.03 29.81 1cg1 n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cg1 s ALA 178 N -3.30 3.53 0.53 7.82 0.00 0.26 -4.96 121.76 125.65 1cg1 s ALA 178 Ca 0.44 -1.78 -0.21 0.00 0.00 0.00 0.00 51.96 50.41 1cg1 s ALA 178 Cb -0.19 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1cg1 s ALA 178 CO 0.66 0.05 1.23 -1.83 0.00 0.00 0.00 175.76 175.88 1cg1 s GLU 179 N -3.86 3.31 0.55 0.00 -1.05 -1.26 -3.26 118.70 113.13 1cg1 s GLU 179 Ca 0.38 1.92 -0.16 0.00 -0.15 0.00 0.00 54.97 56.96 1cg1 s GLU 179 Cb -0.03 -2.19 -0.06 0.00 -0.44 0.00 0.00 34.13 31.40 1cg1 s GLU 179 CO 0.23 -0.96 1.01 0.00 0.95 0.00 0.00 175.26 176.49 1cg1 s ALA 180 N -1.50 2.98 -0.15 -0.84 0.00 -1.26 -4.72 121.76 116.27 1cg1 s ALA 180 Ca 0.71 0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 1cg1 s ALA 180 Cb -0.32 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1cg1 s ALA 180 CO 0.38 -0.45 0.16 0.08 0.00 0.00 0.00 175.76 175.93 1cg1 s VAL 181 N -2.64 5.43 -0.12 0.00 1.01 -1.26 -5.05 120.40 117.77 1cg1 s VAL 181 Ca 0.60 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 1cg1 s VAL 181 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1cg1 s VAL 181 CO 0.35 0.53 1.33 -0.62 0.00 0.00 0.00 175.10 176.69 1cg1 s ASP 182 N -0.35 6.90 0.06 3.32 -1.08 -1.26 -4.97 116.67 119.30 1cg1 s ASP 182 Ca 0.13 1.82 -0.20 0.00 -0.52 0.00 0.00 52.55 53.78 1cg1 s ASP 182 Cb -0.12 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.71 1cg1 s ASP 182 CO 0.02 -0.76 1.32 0.22 0.52 0.00 0.00 175.17 176.49 1cg1 h TYR 183 N 8.31 -0.89 -0.91 -5.34 3.20 -1.97 -2.01 116.97 117.37 1cg1 h TYR 183 Ca -0.30 0.02 0.19 0.00 3.14 0.00 0.00 58.73 61.78 1cg1 h TYR 183 Cb 1.13 0.38 -0.11 0.00 1.54 0.00 0.00 36.73 39.66 1cg1 h TYR 183 CO 0.80 -0.35 0.46 0.37 -1.64 0.00 0.00 178.16 177.81 1cg1 h GLN 184 N -0.45 0.54 -0.18 1.82 5.75 -1.98 0.73 115.11 121.33 1cg1 h GLN 184 Ca -0.01 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1cg1 h GLN 184 Cb 0.44 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1cg1 h GLN 184 CO -0.16 0.36 0.03 -0.22 -2.65 0.00 0.00 178.83 176.19 1cg1 h LYS 185 N 0.56 0.10 -0.49 1.69 3.11 -1.89 0.15 116.57 119.79 1cg1 h LYS 185 Ca 0.54 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 58.27 1cg1 h LYS 185 Cb 0.91 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.10 1cg1 h LYS 185 CO -0.44 0.07 -0.08 0.28 -2.81 0.00 0.00 179.45 176.46 1cg1 h VAL 186 N 0.11 1.27 0.05 2.00 2.07 -0.45 -2.14 116.25 119.15 1cg1 h VAL 186 Ca 0.08 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1cg1 h VAL 186 Cb 0.08 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1cg1 h VAL 186 CO -0.11 0.42 -0.09 0.25 0.02 0.00 0.00 177.57 178.06 1cg1 h LEU 187 N 0.77 -0.26 0.57 2.57 5.85 -0.53 -1.21 115.31 123.07 1cg1 h LEU 187 Ca 0.13 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1cg1 h LEU 187 Cb 0.63 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1cg1 h LEU 187 CO 0.04 -0.14 -0.32 0.44 -0.34 0.00 0.00 178.44 178.12 1cg1 h ASP 188 N -0.19 -0.79 -0.54 1.25 3.45 -0.68 -0.87 116.42 118.05 1cg1 h ASP 188 Ca 0.02 0.04 0.11 0.00 0.43 0.00 0.00 57.03 57.63 1cg1 h ASP 188 Cb 0.20 0.22 -0.10 0.00 -0.56 0.00 0.00 39.33 39.09 1cg1 h ASP 188 CO -0.06 -0.52 -0.14 0.44 -1.57 0.00 0.00 179.24 177.40 1cg1 h ASP 189 N -0.83 -0.51 -0.53 6.45 3.45 -1.34 -1.44 116.42 121.68 1cg1 h ASP 189 Ca -0.07 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 1cg1 h ASP 189 Cb 0.66 0.34 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 1cg1 h ASP 189 CO 0.09 -0.18 0.28 0.74 -1.57 0.00 0.00 179.24 178.61 1cg1 h THR 190 N 0.00 1.18 -0.23 0.35 2.02 -1.11 -3.01 112.91 112.12 1cg1 h THR 190 Ca 0.26 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 1cg1 h THR 190 Cb 0.40 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1cg1 h THR 190 CO -0.56 0.20 -0.13 0.24 0.37 0.00 0.00 175.52 175.64 1cg1 h MET 191 N 0.70 0.38 -0.79 6.66 2.86 -0.49 -1.40 114.93 122.86 1cg1 h MET 191 Ca 0.18 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 57.85 1cg1 h MET 191 Cb 0.06 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 1cg1 h MET 191 CO -0.03 0.51 0.52 0.00 1.06 0.00 0.00 176.91 178.97 1cg1 h ALA 192 N 1.52 1.91 0.00 6.32 0.00 -1.14 -3.01 119.26 124.86 1cg1 h ALA 192 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cg1 h ALA 192 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1cg1 h ALA 192 CO 0.03 -0.10 -1.96 1.33 0.00 0.00 0.00 179.25 178.54 1cg1 n VAL 193 N -4.51 0.04 -0.13 0.00 0.24 -1.04 -4.72 118.33 108.21 1cg1 n VAL 193 Ca 0.14 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.34 61.93 1cg1 n VAL 193 Cb 0.43 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.78 1cg1 n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cg1 n ALA 194 N -2.24 -0.20 0.07 2.33 0.00 -0.55 0.39 120.51 120.31 1cg1 n ALA 194 Ca -0.05 0.26 0.17 0.00 0.00 0.00 0.00 53.44 53.82 1cg1 n ALA 194 Cb 0.56 -0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.68 1cg1 n ALA 194 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1cg1 h ASP 195 N 0.00 0.01 0.22 0.00 3.45 -1.85 0.63 116.42 118.88 1cg1 h ASP 195 Ca 0.05 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1cg1 h ASP 195 Cb 0.13 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1cg1 h ASP 195 CO -0.29 0.01 -0.11 0.40 -1.57 0.00 0.00 179.24 177.68 1cg1 h ILE 196 N 0.02 0.69 -0.21 0.35 2.04 -0.39 -2.05 117.51 117.96 1cg1 h ILE 196 Ca 0.19 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1cg1 h ILE 196 Cb 0.72 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1cg1 h ILE 196 CO -0.00 0.17 -0.42 -0.07 0.00 0.00 0.00 178.15 177.83 1cg1 h LEU 197 N -0.89 -1.37 -1.93 1.44 -0.00 -0.87 -0.39 115.31 111.30 1cg1 h LEU 197 Ca -0.03 0.17 0.26 0.00 -0.00 0.00 0.00 57.88 58.28 1cg1 h LEU 197 Cb 0.50 0.55 -0.04 0.00 -0.00 0.00 0.00 40.66 41.67 1cg1 h LEU 197 CO 0.05 -0.34 0.66 0.74 -0.00 0.00 0.00 178.44 179.56 1cg1 h THR 198 N -0.37 0.55 0.00 0.22 2.02 -1.02 0.01 112.91 114.32 1cg1 h THR 198 Ca 0.04 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1cg1 h THR 198 Cb 0.48 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1cg1 h THR 198 CO -0.39 0.01 -0.02 0.77 0.37 0.00 0.00 175.52 176.26 1cg1 h SER 199 N 0.05 0.00 -0.39 4.18 4.64 -0.30 -3.05 113.55 118.69 1cg1 h SER 199 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1cg1 h SER 199 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1cg1 h SER 199 CO -0.03 0.02 0.00 0.23 -0.87 0.00 0.00 176.83 176.17 1cg1 n MET 200 N -3.11 2.49 -2.15 4.77 2.00 -0.01 -4.98 117.12 116.12 1cg1 n MET 200 Ca 0.01 -2.25 -0.42 0.00 0.00 0.00 0.00 57.70 55.04 1cg1 n MET 200 Cb 0.34 -1.51 -0.03 0.00 0.00 0.00 0.00 33.22 32.01 1cg1 n MET 200 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1cg1 s VAL 201 N -1.50 3.17 0.10 2.03 1.01 -1.15 -0.24 120.40 123.81 1cg1 s VAL 201 Ca 0.39 0.89 0.02 0.00 0.00 0.00 0.00 61.98 63.27 1cg1 s VAL 201 Cb 0.23 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1cg1 s VAL 201 CO 0.32 0.09 -0.07 0.54 0.00 0.00 0.00 175.10 175.98 1cg1 s VAL 202 N 0.70 0.71 -1.02 2.92 0.11 -0.73 -4.85 120.40 118.25 1cg1 s VAL 202 Ca 0.62 -1.87 -0.21 0.00 -2.93 0.00 0.00 61.98 57.59 1cg1 s VAL 202 Cb -0.38 -1.60 0.08 0.00 -1.53 0.00 0.00 36.38 32.95 1cg1 s VAL 202 CO 0.34 -0.82 1.38 -0.62 -3.33 0.00 0.00 175.10 172.04 1cg1 s ASP 203 N -2.93 6.58 0.24 3.54 3.68 -1.26 -4.43 116.67 122.09 1cg1 s ASP 203 Ca 0.10 -1.73 -0.04 0.00 2.13 0.00 0.00 52.55 53.01 1cg1 s ASP 203 Cb 0.04 -2.52 0.44 0.00 -1.45 0.00 0.00 42.92 39.43 1cg1 s ASP 203 CO -0.04 -1.34 1.76 0.58 0.13 0.00 0.00 175.17 176.26 1cg1 h VAL 204 N 6.38 0.74 -0.51 1.11 2.07 -1.88 -0.04 116.25 124.12 1cg1 h VAL 204 Ca 0.21 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1cg1 h VAL 204 Cb 1.00 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1cg1 h VAL 204 CO 1.34 0.10 0.09 0.77 0.02 0.00 0.00 177.57 179.88 1cg1 h SER 205 N 0.55 0.81 -0.40 0.57 4.64 -1.87 0.10 113.55 117.95 1cg1 h SER 205 Ca 0.41 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 1cg1 h SER 205 Cb 0.55 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1cg1 h SER 205 CO -0.35 0.86 -0.27 -0.78 -0.87 0.00 0.00 176.83 175.42 1cg1 h ASP 206 N 0.72 0.94 0.12 4.97 1.82 -1.86 -0.88 116.42 122.24 1cg1 h ASP 206 Ca 0.15 -0.43 0.01 0.00 -0.39 0.00 0.00 57.03 56.38 1cg1 h ASP 206 Cb 0.39 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1cg1 h ASP 206 CO 0.01 1.17 -0.19 0.25 -1.61 0.00 0.00 179.24 178.87 1cg1 h LEU 207 N 0.72 -0.53 -1.43 2.28 6.46 -0.71 -0.47 115.31 121.63 1cg1 h LEU 207 Ca 0.08 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1cg1 h LEU 207 Cb 0.85 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1cg1 h LEU 207 CO 0.07 -0.27 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.46 1cg1 h LEU 208 N -0.37 0.25 -1.00 2.25 3.38 -0.72 0.44 115.31 119.53 1cg1 h LEU 208 Ca 0.02 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1cg1 h LEU 208 Cb 0.38 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1cg1 h LEU 208 CO -0.10 0.37 -0.09 -0.78 0.09 0.00 0.00 178.44 177.94 1cg1 h ASP 209 N 0.25 0.60 -0.17 -0.43 -0.00 -0.60 -0.97 116.42 115.11 1cg1 h ASP 209 Ca 0.05 -0.16 -0.11 0.00 -0.00 0.00 0.00 57.03 56.82 1cg1 h ASP 209 Cb 0.33 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 39.50 1cg1 h ASP 209 CO 0.02 0.73 -0.33 1.56 -0.00 0.00 0.00 179.24 181.22 1cg1 h GLN 210 N 0.57 0.52 -0.41 0.28 4.20 0.24 -2.30 115.11 118.22 1cg1 h GLN 210 Ca 0.11 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.52 1cg1 h GLN 210 Cb 0.50 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1cg1 h GLN 210 CO 0.03 0.94 0.18 0.00 -0.67 0.00 0.00 178.83 179.31 1cg1 h ALA 211 N 0.58 0.49 -0.82 3.87 0.00 -0.85 -2.26 119.26 120.26 1cg1 h ALA 211 Ca 0.01 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1cg1 h ALA 211 Cb 0.92 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1cg1 h ALA 211 CO 0.07 -0.20 0.49 -0.09 0.00 0.00 0.00 179.25 179.53 1cg1 h ARG 212 N 0.36 0.85 0.00 0.00 1.12 -1.12 -0.58 114.38 115.02 1cg1 h ARG 212 Ca 0.18 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.92 1cg1 h ARG 212 Cb 0.12 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1cg1 h ARG 212 CO -0.15 0.56 -0.38 1.96 -3.11 0.00 0.00 179.97 178.86 1cg1 h GLN 213 N 0.88 0.00 -0.01 0.20 4.20 -1.02 -2.04 115.11 117.33 1cg1 h GLN 213 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1cg1 h GLN 213 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1cg1 h GLN 213 CO -0.20 0.38 -0.05 0.54 -0.67 0.00 0.00 178.83 178.83 1cg1 n ARG 214 N -3.77 1.14 -1.78 1.46 1.74 -0.52 -4.91 116.66 110.01 1cg1 n ARG 214 Ca -0.01 -0.44 -0.13 0.00 -0.77 0.00 0.00 57.85 56.50 1cg1 n ARG 214 Cb 0.45 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 1cg1 n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cg1 n GLY 215 N 1.16 0.66 3.77 -0.13 0.00 -0.73 -4.97 105.19 104.95 1cg1 n GLY 215 Ca 0.19 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1cg1 n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cg1 s ASP 216 N -2.66 5.94 -0.16 1.61 1.01 -0.34 -4.96 116.67 117.12 1cg1 s ASP 216 Ca 0.00 2.35 -0.29 0.00 0.71 0.00 0.00 52.55 55.31 1cg1 s ASP 216 Cb 0.00 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 1cg1 s ASP 216 CO 0.00 -1.08 1.01 -0.36 0.21 0.00 0.00 175.17 174.96 1cg1 s PHE 217 N -1.55 3.44 -0.02 4.23 0.40 -1.26 -4.65 117.98 118.57 1cg1 s PHE 217 Ca 0.67 1.53 0.06 0.00 -0.60 0.00 0.00 56.93 58.59 1cg1 s PHE 217 Cb -0.29 -3.21 -0.01 0.00 0.51 0.00 0.00 43.02 40.01 1cg1 s PHE 217 CO 0.35 -0.33 -0.21 0.08 0.70 0.00 0.00 175.22 175.82 1cg1 s VAL 218 N 2.48 1.63 -0.07 -0.44 1.01 0.57 -0.73 120.40 124.86 1cg1 s VAL 218 Ca 0.46 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1cg1 s VAL 218 Cb -0.17 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1cg1 s VAL 218 CO 0.13 0.46 -0.23 -0.32 0.00 0.00 0.00 175.10 175.14 1cg1 s MET 219 N -0.43 2.53 -0.23 2.72 1.75 -0.18 -1.41 119.30 124.05 1cg1 s MET 219 Ca 0.07 -0.82 -0.06 0.00 -1.25 0.00 0.00 55.69 53.62 1cg1 s MET 219 Cb -0.08 -2.07 -0.03 0.00 2.84 0.00 0.00 34.83 35.50 1cg1 s MET 219 CO -0.00 0.28 0.04 -0.06 -0.65 0.00 0.00 175.02 174.63 1cg1 s PHE 220 N 0.07 3.07 -0.32 4.11 0.40 0.39 0.39 117.98 126.08 1cg1 s PHE 220 Ca -0.09 -0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 55.60 1cg1 s PHE 220 Cb -0.15 -2.18 -0.01 0.00 0.51 0.00 0.00 43.02 41.18 1cg1 s PHE 220 CO 0.05 -0.33 0.48 -2.00 0.70 0.00 0.00 175.22 174.12 1cg1 s GLU 221 N 1.42 3.75 0.85 0.44 2.12 0.17 -0.62 118.70 126.83 1cg1 s GLU 221 Ca 0.05 -0.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.20 1cg1 s GLU 221 Cb -0.15 -3.76 0.10 0.00 0.26 0.00 0.00 34.13 30.59 1cg1 s GLU 221 CO 0.02 -0.53 1.13 0.20 -0.54 0.00 0.00 175.26 175.54 1cg1 s GLY 222 N 1.70 1.59 0.03 -1.50 0.00 0.22 -3.98 107.32 105.39 1cg1 s GLY 222 Ca 0.18 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1cg1 s GLY 222 CO 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 173.10 173.20 1cg1 s ALA 223 N -3.32 0.30 0.00 3.20 0.00 -1.26 -4.88 121.76 115.80 1cg1 s ALA 223 Ca 0.62 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1cg1 s ALA 223 Cb -0.14 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1cg1 s ALA 223 CO 0.52 -0.12 0.00 1.04 0.00 0.00 0.00 175.76 177.21 1cg1 n GLN 224 N 1.50 0.00 -4.42 0.00 3.00 -1.26 -4.81 117.38 111.38 1cg1 n GLN 224 Ca -0.23 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.55 1cg1 n GLN 224 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.69 1cg1 n GLN 224 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1cg1 s GLY 225 N -4.40 2.05 0.21 1.08 0.00 -1.26 -3.84 107.32 101.15 1cg1 s GLY 225 Ca 0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 44.72 42.69 1cg1 s GLY 225 CO 0.00 -1.76 1.67 -0.84 0.00 0.00 0.00 173.10 172.17 1cg1 h THR 226 N 2.15 0.54 0.00 0.90 2.02 -0.40 -1.61 112.91 116.50 1cg1 h THR 226 Ca -0.39 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1cg1 h THR 226 Cb 1.25 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1cg1 h THR 226 CO 0.66 0.02 0.00 0.18 0.37 0.00 0.00 175.52 176.75 1cg1 n LEU 227 N -5.25 0.00 -0.80 2.58 4.77 -0.11 -1.11 117.00 117.07 1cg1 n LEU 227 Ca 0.08 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.15 1cg1 n LEU 227 Cb 0.33 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.56 1cg1 n LEU 227 CO 0.13 0.00 0.59 0.18 -1.33 0.00 0.00 177.39 176.96 1cg1 n LEU 228 N -0.92 2.83 -4.70 2.23 4.77 -0.61 -2.44 117.00 118.16 1cg1 n LEU 228 Ca 0.11 -1.41 -0.42 0.00 -0.03 0.00 0.00 56.01 54.26 1cg1 n LEU 228 Cb 0.05 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1cg1 n LEU 228 CO 0.08 0.60 1.43 -0.62 -1.33 0.00 0.00 177.39 177.55 1cg1 s ASP 229 N -1.25 6.46 0.34 -1.43 2.15 -0.27 -1.00 116.67 121.67 1cg1 s ASP 229 Ca 0.26 2.72 0.14 0.00 0.43 0.00 0.00 52.55 56.10 1cg1 s ASP 229 Cb 0.16 -2.57 1.01 0.00 -0.30 0.00 0.00 42.92 41.22 1cg1 s ASP 229 CO 0.22 -0.97 1.71 -0.29 -0.17 0.00 0.00 175.17 175.67 1cg1 h ILE 230 N 4.58 0.43 0.01 4.11 6.09 -1.35 0.49 117.51 131.85 1cg1 h ILE 230 Ca -0.45 -0.15 -0.21 0.00 -1.37 0.00 0.00 64.86 62.68 1cg1 h ILE 230 Cb 1.21 -0.05 -0.03 0.00 0.47 0.00 0.00 36.82 38.42 1cg1 h ILE 230 CO 0.94 0.08 -1.13 0.44 -3.07 0.00 0.00 178.15 175.42 1cg1 h ASP 231 N 0.44 0.02 -0.01 2.19 3.32 -1.90 -3.41 116.42 117.07 1cg1 h ASP 231 Ca 0.68 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1cg1 h ASP 231 Cb 1.49 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1cg1 h ASP 231 CO -0.50 1.44 -0.26 1.41 -1.72 0.00 0.00 179.24 179.62 1cg1 n HIS 232 N -4.42 0.00 -1.92 4.55 8.25 -1.16 -4.95 115.22 115.57 1cg1 n HIS 232 Ca -0.29 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.95 1cg1 n HIS 232 Cb 0.67 -0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.92 1cg1 n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cg1 n GLY 233 N 1.38 -0.89 2.74 -1.41 0.00 0.17 -4.87 105.19 102.31 1cg1 n GLY 233 Ca 0.12 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1cg1 n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cg1 n THR 234 N -3.19 2.70 -1.68 2.61 -2.24 -1.02 -4.36 114.28 107.09 1cg1 n THR 234 Ca 0.13 -1.94 -0.42 0.00 -2.27 0.00 0.00 64.05 59.55 1cg1 n THR 234 Cb 0.45 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.33 1cg1 n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cg1 n TYR 235 N 5.50 1.97 1.08 4.78 4.19 -1.26 -0.85 117.16 132.57 1cg1 n TYR 235 Ca 0.53 0.54 0.07 0.00 3.31 0.00 0.00 57.90 62.35 1cg1 n TYR 235 Cb 0.28 -2.36 0.24 0.00 0.49 0.00 0.00 39.34 38.00 1cg1 n TYR 235 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1cg1 n PRO 236 N 0.28 1.73 -1.62 2.98 -0.04 -1.26 -0.10 135.00 136.97 1cg1 n PRO 236 Ca 0.07 -1.12 -0.42 0.00 -0.04 0.00 0.00 63.50 61.99 1cg1 n PRO 236 Cb 0.38 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1cg1 n PRO 236 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1cg1 n TYR 237 N 0.38 3.22 -4.07 0.54 4.01 -0.03 -4.82 117.16 116.39 1cg1 n TYR 237 Ca 0.13 -2.79 -0.13 0.00 -0.16 0.00 0.00 57.90 54.95 1cg1 n TYR 237 Cb 0.29 -2.42 -0.04 0.00 -0.31 0.00 0.00 39.34 36.87 1cg1 n TYR 237 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1cg1 n VAL 238 N 5.18 0.00 -3.67 -0.72 0.24 -1.26 -4.48 118.33 113.61 1cg1 n VAL 238 Ca 0.53 -1.63 -0.21 0.00 -2.04 0.00 0.00 64.34 60.99 1cg1 n VAL 238 Cb 0.38 0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 33.65 1cg1 n VAL 238 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1cg1 s THR 239 N -2.88 4.72 -1.69 3.34 -1.32 -0.17 -5.02 115.64 112.62 1cg1 s THR 239 Ca 0.27 -0.92 0.06 0.00 -1.21 0.00 0.00 61.69 59.88 1cg1 s THR 239 Cb 0.00 -3.67 0.20 0.00 -1.51 0.00 0.00 72.50 67.52 1cg1 s THR 239 CO 0.19 -0.28 1.08 -1.20 -2.21 0.00 0.00 174.62 172.19 1cg1 n SER 240 N -1.57 1.42 -4.47 8.08 7.64 -1.26 -3.13 113.62 120.34 1cg1 n SER 240 Ca -0.05 -2.07 -0.22 0.00 1.01 0.00 0.00 58.87 57.54 1cg1 n SER 240 Cb 0.57 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 63.43 1cg1 n SER 240 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1cg1 s SER 241 N -0.80 2.86 -0.38 6.43 1.04 -1.26 -4.85 113.70 116.74 1cg1 s SER 241 Ca 0.14 -1.26 -0.27 0.00 0.48 0.00 0.00 55.95 55.04 1cg1 s SER 241 Cb 0.08 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1cg1 s SER 241 CO 0.08 -0.42 1.01 0.20 0.98 0.00 0.00 173.24 175.09 1cg1 s ASN 242 N -3.50 6.73 0.14 7.02 -0.87 -1.26 -2.05 114.94 121.15 1cg1 s ASN 242 Ca 0.32 0.67 0.24 0.00 -1.57 0.00 0.00 52.86 52.53 1cg1 s ASN 242 Cb 0.06 -2.50 0.42 0.00 -0.02 0.00 0.00 41.25 39.21 1cg1 s ASN 242 CO 0.14 -0.95 1.40 0.35 -2.57 0.00 0.00 177.10 175.47 1cg1 n THR 243 N 6.14 0.41 -1.40 1.60 -2.24 -1.26 -4.47 114.28 113.05 1cg1 n THR 243 Ca 0.09 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 1cg1 n THR 243 Cb 0.48 -0.21 0.09 0.00 -2.10 0.00 0.00 70.33 68.58 1cg1 n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cg1 s THR 244 N -3.16 3.40 0.57 4.28 -4.23 -1.26 -4.68 115.64 110.56 1cg1 s THR 244 Ca 0.07 0.45 0.31 0.00 -1.18 0.00 0.00 61.69 61.34 1cg1 s THR 244 Cb 0.13 -3.07 0.44 0.00 1.34 0.00 0.00 72.50 71.35 1cg1 s THR 244 CO 0.70 -0.59 1.83 0.00 -0.54 0.00 0.00 174.62 176.01 1cg1 h ALA 245 N -1.06 2.61 0.00 3.99 0.00 -1.87 -0.81 119.26 122.13 1cg1 h ALA 245 Ca -0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1cg1 h ALA 245 Cb 1.24 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1cg1 h ALA 245 CO 0.55 -1.06 -0.09 0.78 0.00 0.00 0.00 179.25 179.43 1cg1 h GLY 246 N 0.00 0.00 2.00 0.00 0.00 -1.92 -1.65 103.07 101.50 1cg1 h GLY 246 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1cg1 h GLY 246 CO -0.00 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.20 1cg1 h GLY 247 N 0.45 0.00 0.80 4.60 0.00 -1.36 -2.65 103.07 104.90 1cg1 h GLY 247 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1cg1 h GLY 247 CO 0.01 0.00 0.12 -2.08 0.00 0.00 0.00 176.54 174.60 1cg1 h VAL 248 N 0.00 0.95 0.14 4.60 2.07 -1.48 0.10 116.25 122.63 1cg1 h VAL 248 Ca -0.00 -0.09 -0.24 0.00 0.82 0.00 0.00 66.70 67.19 1cg1 h VAL 248 Cb 0.12 0.66 0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1cg1 h VAL 248 CO 0.00 0.05 -1.03 0.00 0.02 0.00 0.00 177.57 176.61 1cg1 h ALA 249 N 1.17 -0.06 -0.78 1.67 0.00 -1.66 -2.73 119.26 116.86 1cg1 h ALA 249 Ca 0.13 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1cg1 h ALA 249 Cb 0.08 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1cg1 h ALA 249 CO -0.11 0.51 0.48 1.79 0.00 0.00 0.00 179.25 181.92 1cg1 h THR 250 N -0.06 1.22 -0.25 0.00 1.35 -1.38 -2.02 112.91 111.77 1cg1 h THR 250 Ca -0.17 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1cg1 h THR 250 Cb 1.77 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1cg1 h THR 250 CO 0.20 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 1cg1 n GLY 251 N -1.22 0.29 0.00 5.82 0.00 0.01 -4.28 105.19 105.81 1cg1 n GLY 251 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1cg1 n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cg1 n SER 252 N 0.30 1.35 0.00 1.61 3.41 -1.03 -1.32 113.62 117.94 1cg1 n SER 252 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1cg1 n SER 252 Cb 0.26 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1cg1 n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cg1 n GLY 253 N 0.81 0.87 3.75 5.00 0.00 -0.78 -3.44 105.19 111.41 1cg1 n GLY 253 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1cg1 n GLY 253 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cg1 s LEU 254 N 0.00 4.57 0.33 0.99 2.96 -1.26 -4.82 118.68 121.45 1cg1 s LEU 254 Ca 0.00 2.14 -0.29 0.00 -0.22 0.00 0.00 54.13 55.75 1cg1 s LEU 254 Cb 0.00 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 42.96 1cg1 s LEU 254 CO 0.00 -0.07 1.56 -0.83 -1.32 0.00 0.00 176.35 175.68 1cg1 s GLY 255 N -0.79 2.44 0.57 7.98 0.00 -1.26 -4.39 107.32 111.87 1cg1 s GLY 255 Ca 0.44 1.58 0.26 0.00 0.00 0.00 0.00 44.72 47.01 1cg1 s GLY 255 CO 0.37 2.45 2.15 -0.56 0.00 0.00 0.00 173.10 177.50 1cg1 h PRO 256 N 4.11 0.00 0.00 2.90 0.13 -1.94 -1.22 132.00 135.98 1cg1 h PRO 256 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1cg1 h PRO 256 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1cg1 h PRO 256 CO 0.73 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.04 1cg1 n ARG 257 N -4.00 0.38 -0.30 0.86 1.74 -1.26 -3.11 116.66 110.97 1cg1 n ARG 257 Ca 0.00 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.26 1cg1 n ARG 257 Cb 0.24 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.45 1cg1 n ARG 257 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1cg1 n TYR 258 N -1.22 0.78 -2.75 -1.55 4.01 -0.46 -4.87 117.16 111.11 1cg1 n TYR 258 Ca 0.11 -0.39 -0.42 0.00 -0.16 0.00 0.00 57.90 57.03 1cg1 n TYR 258 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1cg1 n TYR 258 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1cg1 s VAL 259 N -1.22 4.74 -0.20 -0.72 1.01 -1.18 -4.51 120.40 118.32 1cg1 s VAL 259 Ca 0.42 1.86 -0.06 0.00 0.00 0.00 0.00 61.98 64.20 1cg1 s VAL 259 Cb 0.22 -4.24 -0.20 0.00 0.00 0.00 0.00 36.38 32.16 1cg1 s VAL 259 CO 0.29 -0.13 0.02 0.47 0.00 0.00 0.00 175.10 175.76 1cg1 n ASP 260 N 6.10 2.02 -3.81 3.32 8.00 0.01 -4.96 116.55 127.23 1cg1 n ASP 260 Ca 0.09 0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.56 1cg1 n ASP 260 Cb 0.47 -0.70 -0.16 0.00 -0.02 0.00 0.00 41.12 40.72 1cg1 n ASP 260 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1cg1 s TYR 261 N -2.51 0.10 -0.33 1.24 6.14 -0.88 -4.89 117.35 116.21 1cg1 s TYR 261 Ca -0.30 0.06 -0.06 0.00 0.64 0.00 0.00 57.07 57.41 1cg1 s TYR 261 Cb 0.09 -0.23 0.04 0.00 0.42 0.00 0.00 41.96 42.28 1cg1 s TYR 261 CO 0.65 -0.08 0.10 0.08 0.64 0.00 0.00 175.55 176.94 1cg1 s VAL 262 N 0.78 3.75 -0.32 3.14 1.01 -1.26 -0.19 120.40 127.31 1cg1 s VAL 262 Ca -0.07 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 1cg1 s VAL 262 Cb -0.10 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1cg1 s VAL 262 CO -0.02 -0.16 0.27 -0.22 0.00 0.00 0.00 175.10 174.97 1cg1 s LEU 263 N 1.40 4.34 -0.29 3.92 1.98 0.63 -0.61 118.68 130.05 1cg1 s LEU 263 Ca -0.02 -0.21 -0.13 0.00 -2.89 0.00 0.00 54.13 50.89 1cg1 s LEU 263 Cb -0.19 -2.22 -0.04 0.00 0.66 0.00 0.00 46.19 44.40 1cg1 s LEU 263 CO 0.03 -0.21 0.27 -0.83 -1.89 0.00 0.00 176.35 173.71 1cg1 s GLY 264 N 1.73 1.92 -0.12 7.98 0.00 -0.61 -1.44 107.32 116.77 1cg1 s GLY 264 Ca 0.09 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 1cg1 s GLY 264 CO 0.11 0.80 1.14 -0.42 0.00 0.00 0.00 173.10 174.72 1cg1 s ILE 265 N 1.87 4.47 -0.22 0.90 -1.09 0.17 -1.53 121.20 125.76 1cg1 s ILE 265 Ca 0.10 1.77 0.01 0.00 -2.23 0.00 0.00 60.65 60.30 1cg1 s ILE 265 Cb -0.16 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1cg1 s ILE 265 CO 0.11 -0.06 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.45 1cg1 s LEU 266 N 2.60 2.63 0.64 2.97 2.96 0.11 -1.17 118.68 129.43 1cg1 s LEU 266 Ca 0.52 -1.10 0.41 0.00 -0.22 0.00 0.00 54.13 53.74 1cg1 s LEU 266 Cb -0.21 -1.28 2.19 0.00 0.50 0.00 0.00 46.19 47.39 1cg1 s LEU 266 CO 0.17 -0.19 2.30 0.50 -1.32 0.00 0.00 176.35 177.81 1cg1 h LYS 267 N 7.92 0.00 0.00 1.98 3.64 -1.78 0.14 116.57 128.48 1cg1 h LYS 267 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1cg1 h LYS 267 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1cg1 h LYS 267 CO 0.45 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.64 1cg1 n ALA 268 N -2.11 0.00 -3.54 5.00 0.00 -1.22 -3.98 120.51 114.66 1cg1 n ALA 268 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1cg1 n ALA 268 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1cg1 n ALA 268 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1cg1 s TYR 269 N -2.27 0.08 0.16 0.00 -0.85 -1.26 -4.37 117.35 108.83 1cg1 s TYR 269 Ca 0.00 -0.50 0.06 0.00 -0.52 0.00 0.00 57.07 56.12 1cg1 s TYR 269 Cb 0.00 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 1cg1 s TYR 269 CO 0.00 -1.13 0.04 -1.12 -1.52 0.00 0.00 175.55 171.82 1cg1 s SER 270 N -2.97 5.04 0.02 -0.18 0.01 0.39 -4.69 113.70 111.33 1cg1 s SER 270 Ca 0.16 -0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 1cg1 s SER 270 Cb -0.04 -1.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 1cg1 s SER 270 CO 0.08 0.10 0.03 0.42 0.41 0.00 0.00 173.24 174.28 1cg1 s THR 271 N -1.66 0.10 -0.10 1.44 -4.23 -1.25 0.15 115.64 110.09 1cg1 s THR 271 Ca 0.28 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.85 1cg1 s THR 271 Cb -0.10 -0.37 0.03 0.00 1.34 0.00 0.00 72.50 73.41 1cg1 s THR 271 CO 0.20 -0.48 0.25 -0.60 -0.54 0.00 0.00 174.62 173.46 1cg1 s ARG 272 N -1.53 0.27 -0.07 3.99 3.52 0.18 -4.43 118.95 120.87 1cg1 s ARG 272 Ca -0.15 0.41 0.04 0.00 -0.13 0.00 0.00 55.73 55.90 1cg1 s ARG 272 Cb -0.09 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 1cg1 s ARG 272 CO -0.00 -0.07 -0.19 0.08 -0.81 0.00 0.00 175.30 174.30 1cg1 s VAL 273 N 0.48 1.67 0.00 7.11 1.01 -1.26 -0.54 120.40 128.87 1cg1 s VAL 273 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1cg1 s VAL 273 Cb -0.04 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1cg1 s VAL 273 CO -0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1cg1 n GLY 274 N 3.46 2.35 3.78 4.51 0.00 -1.26 -5.05 105.19 112.99 1cg1 n GLY 274 Ca -0.20 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 1cg1 n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cg1 s ALA 275 N -2.49 2.16 0.00 4.61 0.00 -0.81 -5.03 121.76 120.20 1cg1 s ALA 275 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1cg1 s ALA 275 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1cg1 s ALA 275 CO 0.00 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.38 1cg1 n GLY 276 N -1.80 4.48 3.67 0.00 0.00 -1.26 -4.86 105.19 105.41 1cg1 n GLY 276 Ca 0.07 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 1cg1 n GLY 276 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cg1 n PRO 277 N -1.99 0.94 -2.74 1.61 -0.02 -1.26 -4.96 135.00 126.58 1cg1 n PRO 277 Ca 0.00 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1cg1 n PRO 277 Cb 0.00 -2.35 0.04 0.00 -0.02 0.00 0.00 33.50 31.17 1cg1 n PRO 277 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1cg1 n PHE 278 N -1.93 -3.22 -0.27 6.00 7.35 -1.26 -5.07 117.46 119.06 1cg1 n PHE 278 Ca 0.15 -1.49 -0.01 0.00 -0.76 0.00 0.00 57.45 55.34 1cg1 n PHE 278 Cb 0.48 1.49 0.05 0.00 0.35 0.00 0.00 39.48 41.85 1cg1 n PHE 278 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1cg1 h PRO 279 N 4.31 -0.06 -0.66 -7.13 0.11 -1.92 -1.07 132.00 125.58 1cg1 h PRO 279 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1cg1 h PRO 279 Cb 1.08 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1cg1 h PRO 279 CO 0.16 -0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.16 1cg1 n THR 280 N -5.48 0.44 -1.78 -1.15 -2.24 -1.26 -4.60 114.28 98.21 1cg1 n THR 280 Ca 0.08 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1cg1 n THR 280 Cb 0.39 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.33 1cg1 n THR 280 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1cg1 s GLU 281 N -1.50 4.12 -0.18 -0.78 2.12 -0.41 -2.10 118.70 119.97 1cg1 s GLU 281 Ca 0.11 2.58 -0.03 0.00 0.36 0.00 0.00 54.97 57.98 1cg1 s GLU 281 Cb 0.07 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.43 1cg1 s GLU 281 CO 0.04 -0.61 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.60 1cg1 s LEU 282 N -0.90 3.09 -0.12 2.70 1.43 -0.54 -4.95 118.68 119.39 1cg1 s LEU 282 Ca 0.61 -0.23 0.15 0.00 -1.03 0.00 0.00 54.13 53.62 1cg1 s LEU 282 Cb -0.48 -1.75 0.45 0.00 0.03 0.00 0.00 46.19 44.44 1cg1 s LEU 282 CO 0.52 0.10 1.36 0.49 0.23 0.00 0.00 176.35 179.05 1cg1 n PHE 283 N 3.97 0.75 -2.61 0.29 3.72 -1.26 -4.55 117.46 117.77 1cg1 n PHE 283 Ca -0.18 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.46 1cg1 n PHE 283 Cb 0.52 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1cg1 n PHE 283 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1cg1 n ASP 284 N -0.25 0.65 -0.26 4.37 3.85 -1.26 -4.94 116.55 118.71 1cg1 n ASP 284 Ca 0.18 -0.29 -0.06 0.00 -0.71 0.00 0.00 54.79 53.91 1cg1 n ASP 284 Cb 0.74 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.58 1cg1 n ASP 284 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1cg1 h GLU 285 N 0.00 1.15 -0.20 0.11 5.08 -1.99 -1.87 114.58 116.86 1cg1 h GLU 285 Ca 0.00 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1cg1 h GLU 285 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1cg1 h GLU 285 CO 0.00 0.97 -0.16 0.00 -1.00 0.00 0.00 179.01 178.82 1cg1 h THR 286 N 1.10 1.21 -0.24 1.13 1.03 -1.96 0.51 112.91 115.69 1cg1 h THR 286 Ca 0.24 -0.96 -0.02 0.00 -0.01 0.00 0.00 66.41 65.66 1cg1 h THR 286 Cb 0.29 1.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 1cg1 h THR 286 CO -0.01 0.30 0.08 1.23 -0.01 0.00 0.00 175.52 177.11 1cg1 h GLY 287 N 0.87 0.40 1.01 2.99 0.00 -1.66 -0.34 103.07 106.35 1cg1 h GLY 287 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1cg1 h GLY 287 CO 0.03 0.22 0.57 -2.09 0.00 0.00 0.00 176.54 175.27 1cg1 h GLU 288 N 0.23 1.21 -0.49 4.80 4.81 -0.51 -1.41 114.58 123.23 1cg1 h GLU 288 Ca 0.08 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1cg1 h GLU 288 Cb 0.22 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1cg1 h GLU 288 CO -0.00 0.83 0.28 0.35 -0.73 0.00 0.00 179.01 179.74 1cg1 h PHE 289 N 1.23 0.65 0.46 0.92 3.57 0.31 -2.07 116.94 122.02 1cg1 h PHE 289 Ca 0.33 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1cg1 h PHE 289 Cb -0.09 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1cg1 h PHE 289 CO -0.00 0.46 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.10 1cg1 h LEU 290 N 0.65 -0.99 -0.36 0.59 3.38 -0.36 0.54 115.31 118.76 1cg1 h LEU 290 Ca 0.17 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.28 1cg1 h LEU 290 Cb 0.01 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1cg1 h LEU 290 CO -0.03 -0.54 -0.44 0.00 0.09 0.00 0.00 178.44 177.51 1cg1 h LYS 292 N -0.37 -0.70 -0.10 0.00 1.57 -1.11 0.11 116.57 115.97 1cg1 h LYS 292 Ca 0.12 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1cg1 h LYS 292 Cb 0.60 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1cg1 h LYS 292 CO -0.55 -0.47 -0.14 1.96 -0.57 0.00 0.00 179.45 179.69 1cg1 h GLN 293 N -0.73 0.16 -0.63 3.15 1.08 -0.90 -2.58 115.11 114.65 1cg1 h GLN 293 Ca -0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1cg1 h GLN 293 Cb 0.67 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1cg1 h GLN 293 CO -0.12 0.30 0.00 0.41 -0.95 0.00 0.00 178.83 178.47 1cg1 n GLY 294 N -0.94 2.06 4.33 3.46 0.00 -0.67 -4.93 105.19 108.49 1cg1 n GLY 294 Ca -0.01 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1cg1 n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cg1 n ASN 295 N 1.22 0.72 -4.57 1.61 4.05 0.15 -4.79 115.26 113.65 1cg1 n ASN 295 Ca 0.21 -1.27 -0.36 0.00 0.45 0.00 0.00 54.58 53.61 1cg1 n ASN 295 Cb 0.61 -1.64 -0.03 0.00 1.23 0.00 0.00 39.78 39.95 1cg1 n ASN 295 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1cg1 s GLU 296 N -7.36 3.28 -0.03 1.20 0.41 0.13 -4.89 118.70 111.45 1cg1 s GLU 296 Ca 0.06 -1.33 0.01 0.00 -0.41 0.00 0.00 54.97 53.31 1cg1 s GLU 296 Cb -0.04 -5.35 0.01 0.00 -1.78 0.00 0.00 34.13 26.98 1cg1 s GLU 296 CO 1.00 -2.88 -0.06 -0.06 -0.49 0.00 0.00 175.26 172.77 1cg1 s PHE 297 N 7.10 0.73 -0.16 1.61 0.08 -1.26 -1.10 117.98 124.97 1cg1 s PHE 297 Ca 0.59 -0.18 -0.36 0.00 0.12 0.00 0.00 56.93 57.09 1cg1 s PHE 297 Cb 0.00 -0.59 -0.13 0.00 -0.57 0.00 0.00 43.02 41.73 1cg1 s PHE 297 CO 0.04 -0.13 1.84 0.41 -0.10 0.00 0.00 175.22 177.28 1cg1 n GLY 298 N 3.66 1.25 0.00 4.36 0.00 0.28 -4.82 105.19 109.92 1cg1 n GLY 298 Ca -0.22 0.89 0.03 0.00 0.00 0.00 0.00 46.02 46.73 1cg1 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cg1 n ALA 299 N 6.24 1.80 0.00 4.61 0.00 -1.26 0.40 120.51 132.31 1cg1 n ALA 299 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1cg1 n ALA 299 Cb 0.23 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1cg1 n ALA 299 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1cg1 n THR 300 N -0.86 0.00 0.89 0.00 -1.04 -1.26 -4.79 114.28 107.22 1cg1 n THR 300 Ca 0.05 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.15 1cg1 n THR 300 Cb 0.02 -0.87 -0.09 0.00 -1.82 0.00 0.00 70.33 67.58 1cg1 n THR 300 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1cg1 n THR 301 N -2.63 0.00 -0.65 12.58 -2.24 -1.14 -4.95 114.28 115.25 1cg1 n THR 301 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1cg1 n THR 301 Cb 0.43 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1cg1 n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg1 n GLY 302 N 1.42 0.91 3.76 3.38 0.00 0.16 -4.94 105.19 109.88 1cg1 n GLY 302 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1cg1 n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cg1 s ARG 303 N -0.28 3.12 0.32 1.61 0.52 -1.26 -4.42 118.95 118.56 1cg1 s ARG 303 Ca 0.00 1.88 -0.28 0.00 -0.52 0.00 0.00 55.73 56.81 1cg1 s ARG 303 Cb 0.00 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 1cg1 s ARG 303 CO 0.00 -1.10 1.13 0.50 0.02 0.00 0.00 175.30 175.85 1cg1 s ARG 304 N -3.17 4.44 -0.14 3.54 3.52 -1.26 1.00 118.95 126.88 1cg1 s ARG 304 Ca 0.75 1.83 -0.15 0.00 -0.13 0.00 0.00 55.73 58.02 1cg1 s ARG 304 Cb -0.32 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1cg1 s ARG 304 CO 0.35 0.02 0.35 1.03 -0.81 0.00 0.00 175.30 176.25 1cg1 s ARG 305 N -1.77 4.26 0.31 5.12 0.52 -0.26 -4.80 118.95 122.31 1cg1 s ARG 305 Ca 0.49 0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 55.62 1cg1 s ARG 305 Cb -0.31 -3.42 -0.10 0.00 0.52 0.00 0.00 34.95 31.64 1cg1 s ARG 305 CO 0.40 0.24 1.27 1.03 0.02 0.00 0.00 175.30 178.27 1cg1 s ARG 306 N 0.43 4.41 0.23 3.54 0.52 0.30 -4.82 118.95 123.56 1cg1 s ARG 306 Ca 0.20 2.13 0.11 0.00 -0.52 0.00 0.00 55.73 57.65 1cg1 s ARG 306 Cb -0.14 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 1cg1 s ARG 306 CO 0.06 -0.13 -0.21 0.95 0.02 0.00 0.00 175.30 175.99 1cg1 s THR 307 N -0.97 2.30 0.06 0.02 -4.23 -1.26 -0.65 115.64 110.91 1cg1 s THR 307 Ca 0.49 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1cg1 s THR 307 Cb -0.38 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.31 1cg1 s THR 307 CO 0.49 -0.30 0.19 0.61 -0.54 0.00 0.00 174.62 175.07 1cg1 n GLY 308 N -0.18 1.42 3.88 3.99 0.00 0.12 -1.46 105.19 112.96 1cg1 n GLY 308 Ca -0.09 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1cg1 n GLY 308 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cg1 s TRP 309 N -6.19 3.50 0.27 1.61 0.52 -0.89 -0.46 118.94 117.30 1cg1 s TRP 309 Ca 0.04 1.03 -0.30 0.00 0.02 0.00 0.00 56.10 56.88 1cg1 s TRP 309 Cb -0.01 -2.44 -0.12 0.00 -1.15 0.00 0.00 33.47 29.75 1cg1 s TRP 309 CO 0.02 -0.18 1.51 -0.11 0.02 0.00 0.00 176.95 178.21 1cg1 n LEU 310 N -1.56 3.84 -4.05 2.99 7.94 -1.26 -3.98 117.00 120.93 1cg1 n LEU 310 Ca 0.02 1.15 -0.33 0.00 -1.11 0.00 0.00 56.01 55.74 1cg1 n LEU 310 Cb 0.54 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.83 1cg1 n LEU 310 CO 0.49 -0.12 -0.24 -0.62 -1.11 0.00 0.00 177.39 175.79 1cg1 s ASP 311 N 0.39 4.91 0.38 1.96 -1.08 -1.26 -1.06 116.67 120.92 1cg1 s ASP 311 Ca 0.65 -2.24 0.28 0.00 -0.52 0.00 0.00 52.55 50.72 1cg1 s ASP 311 Cb -0.56 -1.71 1.24 0.00 -1.46 0.00 0.00 42.92 40.44 1cg1 s ASP 311 CO 0.49 -0.42 1.84 0.74 0.52 0.00 0.00 175.17 178.34 1cg1 h THR 312 N 6.35 0.00 0.06 1.71 2.02 -1.52 -1.25 112.91 120.28 1cg1 h THR 312 Ca -0.07 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1cg1 h THR 312 Cb 1.01 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1cg1 h THR 312 CO 0.60 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 177.04 1cg1 h VAL 313 N 0.00 1.15 -0.28 3.16 2.07 -1.84 -2.00 116.25 118.50 1cg1 h VAL 313 Ca 0.00 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.00 1cg1 h VAL 313 Cb 0.32 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1cg1 h VAL 313 CO 0.00 0.34 0.15 0.00 0.02 0.00 0.00 177.57 178.08 1cg1 h ALA 314 N -0.17 0.35 -0.50 1.67 0.00 -1.85 -2.01 119.26 116.75 1cg1 h ALA 314 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1cg1 h ALA 314 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1cg1 h ALA 314 CO 0.01 -0.23 0.35 0.28 0.00 0.00 0.00 179.25 179.66 1cg1 h VAL 315 N 0.32 0.81 0.00 0.00 2.07 -1.31 0.06 116.25 118.21 1cg1 h VAL 315 Ca 0.11 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1cg1 h VAL 315 Cb 0.01 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1cg1 h VAL 315 CO -0.06 0.02 -0.24 0.03 0.02 0.00 0.00 177.57 177.34 1cg1 h ARG 316 N 0.13 0.00 -0.27 1.57 3.08 -0.60 -0.09 114.38 118.20 1cg1 h ARG 316 Ca 0.23 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.12 1cg1 h ARG 316 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1cg1 h ARG 316 CO -0.03 0.24 -0.49 -0.09 -1.07 0.00 0.00 179.97 178.53 1cg1 h ARG 317 N 0.00 0.81 -0.61 0.04 9.65 -0.79 -2.94 114.38 120.54 1cg1 h ARG 317 Ca -0.00 -0.51 -0.05 0.00 -1.10 0.00 0.00 59.98 58.31 1cg1 h ARG 317 Cb 0.85 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.47 1cg1 h ARG 317 CO 0.03 1.14 0.16 0.00 2.80 0.00 0.00 179.97 184.11 1cg1 h ALA 318 N 0.66 1.14 0.21 2.80 0.00 -1.05 0.03 119.26 123.06 1cg1 h ALA 318 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1cg1 h ALA 318 Cb 1.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1cg1 h ALA 318 CO 0.11 0.59 -0.31 0.28 0.00 0.00 0.00 179.25 179.92 1cg1 h VAL 319 N 0.90 0.35 -0.18 0.00 2.07 -0.91 -1.80 116.25 116.69 1cg1 h VAL 319 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 1cg1 h VAL 319 Cb 0.30 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1cg1 h VAL 319 CO -0.00 0.00 -0.06 0.06 0.02 0.00 0.00 177.57 177.59 1cg1 h GLN 320 N -0.59 0.35 -0.81 1.57 3.07 -1.38 -0.89 115.11 116.44 1cg1 h GLN 320 Ca 0.01 -0.14 0.10 0.00 0.09 0.00 0.00 58.65 58.70 1cg1 h GLN 320 Cb 0.57 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 28.06 1cg1 h GLN 320 CO -0.12 0.63 0.53 -0.07 0.09 0.00 0.00 178.83 179.89 1cg1 h LEU 321 N 0.06 0.67 -2.00 0.06 3.38 -0.98 -3.04 115.31 113.45 1cg1 h LEU 321 Ca 0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1cg1 h LEU 321 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1cg1 h LEU 321 CO 0.02 0.40 0.00 0.59 0.09 0.00 0.00 178.44 179.54 1cg1 n ASN 322 N -4.51 2.82 -3.96 -0.43 3.02 -0.68 -4.56 115.26 106.96 1cg1 n ASN 322 Ca 0.14 -1.84 -0.28 0.00 -0.03 0.00 0.00 54.58 52.57 1cg1 n ASN 322 Cb 0.33 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1cg1 n ASN 322 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1cg1 n SER 323 N 1.10 -1.13 -4.54 6.41 3.41 -0.37 -4.79 113.62 113.71 1cg1 n SER 323 Ca 0.13 -1.05 -0.40 0.00 -0.26 0.00 0.00 58.87 57.28 1cg1 n SER 323 Cb 0.49 -2.88 0.02 0.00 -0.26 0.00 0.00 64.21 61.58 1cg1 n SER 323 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cg1 n LEU 324 N -4.43 1.73 -0.07 1.04 4.77 -1.04 -4.56 117.00 114.44 1cg1 n LEU 324 Ca -0.27 0.93 -0.07 0.00 -0.03 0.00 0.00 56.01 56.56 1cg1 n LEU 324 Cb 0.67 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.40 1cg1 n LEU 324 CO 0.75 -2.17 -0.94 -1.20 -1.33 0.00 0.00 177.39 172.50 1cg1 n SER 325 N 0.56 1.92 -3.56 -1.43 7.64 0.22 -4.91 113.62 114.07 1cg1 n SER 325 Ca 0.11 -0.01 -0.03 0.00 1.01 0.00 0.00 58.87 59.95 1cg1 n SER 325 Cb 0.41 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 1cg1 n SER 325 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cg1 s GLY 326 N -4.73 -0.08 0.33 0.23 0.00 -1.18 -4.58 107.32 97.31 1cg1 s GLY 326 Ca -0.09 -0.06 0.10 0.00 0.00 0.00 0.00 44.72 44.67 1cg1 s GLY 326 CO 0.51 0.98 -0.12 -1.36 0.00 0.00 0.00 173.10 173.11 1cg1 s PHE 327 N -2.75 2.38 -0.26 1.90 2.99 -0.67 -1.58 117.98 119.99 1cg1 s PHE 327 Ca 0.16 -0.45 0.01 0.00 0.00 0.00 0.00 56.93 56.65 1cg1 s PHE 327 Cb -0.02 -1.28 0.07 0.00 0.00 0.00 0.00 43.02 41.80 1cg1 s PHE 327 CO 0.04 0.62 -0.02 0.00 -0.00 0.00 0.00 175.22 175.86 1cg1 s LEU 329 N 1.36 4.08 0.33 0.00 2.96 0.51 -0.71 118.68 127.22 1cg1 s LEU 329 Ca -0.01 1.19 0.09 0.00 -0.22 0.00 0.00 54.13 55.17 1cg1 s LEU 329 Cb -0.19 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1cg1 s LEU 329 CO -0.09 -0.61 0.07 0.42 -1.32 0.00 0.00 176.35 174.82 1cg1 s THR 330 N 3.05 2.87 -1.38 3.68 -4.23 0.50 0.04 115.64 120.17 1cg1 s THR 330 Ca 0.40 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1cg1 s THR 330 Cb -0.15 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1cg1 s THR 330 CO 0.07 -0.21 0.00 0.29 -0.54 0.00 0.00 174.62 174.23 1cg1 n LYS 331 N -1.03 -1.75 -0.06 3.99 5.02 -1.20 -3.41 118.16 119.71 1cg1 n LYS 331 Ca -0.04 0.77 -0.07 0.00 -2.02 0.00 0.00 58.31 56.95 1cg1 n LYS 331 Cb 0.62 -5.24 -0.02 0.00 -0.02 0.00 0.00 35.03 30.37 1cg1 n LYS 331 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1cg1 h LEU 332 N 0.00 -0.32 -1.71 -0.35 5.85 -1.79 -0.62 115.31 116.37 1cg1 h LEU 332 Ca -0.33 0.09 0.34 0.00 0.84 0.00 0.00 57.88 58.82 1cg1 h LEU 332 Cb 1.12 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1cg1 h LEU 332 CO 0.42 -0.12 1.01 -2.24 -0.34 0.00 0.00 178.44 177.17 1cg1 h ASP 333 N -0.05 0.00 0.63 1.25 2.03 -1.87 1.03 116.42 119.44 1cg1 h ASP 333 Ca 0.13 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.37 1cg1 h ASP 333 Cb 0.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1cg1 h ASP 333 CO -0.28 0.00 -0.26 0.58 -1.03 0.00 0.00 179.24 178.25 1cg1 h VAL 334 N 0.00 0.77 0.00 4.15 2.07 -1.46 -2.65 116.25 119.13 1cg1 h VAL 334 Ca 0.55 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1cg1 h VAL 334 Cb 2.56 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 1cg1 h VAL 334 CO -0.01 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.02 1cg1 n LEU 335 N -3.63 0.00 -4.65 2.57 4.77 0.36 -4.89 117.00 111.53 1cg1 n LEU 335 Ca -0.01 0.38 -0.47 0.00 -0.03 0.00 0.00 56.01 55.88 1cg1 n LEU 335 Cb 0.39 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1cg1 n LEU 335 CO 0.34 -0.02 1.14 0.47 -1.33 0.00 0.00 177.39 178.00 1cg1 n ASP 336 N -1.38 2.83 -0.23 -1.43 10.43 -1.00 -3.16 116.55 122.60 1cg1 n ASP 336 Ca 0.10 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.55 1cg1 n ASP 336 Cb 0.27 -1.38 0.00 0.00 1.84 0.00 0.00 41.12 41.85 1cg1 n ASP 336 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1cg1 n GLY 337 N 3.27 0.80 3.24 0.44 0.00 0.12 -5.00 105.19 108.06 1cg1 n GLY 337 Ca 0.17 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1cg1 n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cg1 s LEU 338 N -0.46 2.14 0.15 0.99 1.43 -1.19 -5.00 118.68 116.75 1cg1 s LEU 338 Ca 0.00 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.41 1cg1 s LEU 338 Cb 0.00 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.84 1cg1 s LEU 338 CO 0.00 0.18 1.78 0.50 0.23 0.00 0.00 176.35 179.03 1cg1 h LYS 339 N 6.59 0.37 -4.01 1.70 1.63 -1.92 -2.98 116.57 117.95 1cg1 h LYS 339 Ca -0.22 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.44 1cg1 h LYS 339 Cb 1.23 -0.08 -0.16 0.00 -0.60 0.00 0.00 32.23 32.61 1cg1 h LYS 339 CO 0.48 0.24 -0.58 -1.83 -3.45 0.00 0.00 179.45 174.31 1cg1 s GLU 340 N -6.16 0.61 -0.01 1.90 -1.05 -1.26 0.13 118.70 112.87 1cg1 s GLU 340 Ca -0.13 -0.98 0.03 0.00 -0.15 0.00 0.00 54.97 53.74 1cg1 s GLU 340 Cb 0.11 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 34.03 1cg1 s GLU 340 CO 0.72 -0.14 -0.10 0.14 0.95 0.00 0.00 175.26 176.82 1cg1 s VAL 341 N -3.29 0.82 0.23 1.83 -7.23 -0.34 -4.69 120.40 107.73 1cg1 s VAL 341 Ca 0.01 -0.43 0.09 0.00 -1.81 0.00 0.00 61.98 59.83 1cg1 s VAL 341 Cb 0.03 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 1cg1 s VAL 341 CO -0.08 0.23 -0.15 -1.59 -0.31 0.00 0.00 175.10 173.20 1cg1 s LYS 342 N -0.19 1.44 0.01 4.82 -2.85 -1.26 -0.54 119.74 121.18 1cg1 s LYS 342 Ca 0.03 -1.65 0.01 0.00 -1.00 0.00 0.00 55.97 53.36 1cg1 s LYS 342 Cb -0.05 -1.30 -0.01 0.00 -2.06 0.00 0.00 37.83 34.41 1cg1 s LYS 342 CO -0.00 0.22 -0.05 -0.48 0.10 0.00 0.00 175.35 175.13 1cg1 s LEU 343 N -3.38 2.09 -0.24 2.77 0.05 -0.73 -4.11 118.68 115.14 1cg1 s LEU 343 Ca 0.25 -0.22 -0.28 0.00 0.05 0.00 0.00 54.13 53.93 1cg1 s LEU 343 Cb -0.02 -0.18 0.01 0.00 -2.05 0.00 0.00 46.19 43.95 1cg1 s LEU 343 CO 0.09 -0.04 0.98 0.00 -0.55 0.00 0.00 176.35 176.84 1cg1 n VAL 345 N 5.34 0.00 -3.86 0.00 0.24 -0.40 -1.21 118.33 118.44 1cg1 n VAL 345 Ca 0.10 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1cg1 n VAL 345 Cb 0.46 0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 1cg1 n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cg1 s ALA 346 N -3.03 -1.20 -0.04 2.33 0.00 -1.16 -4.75 121.76 113.91 1cg1 s ALA 346 Ca -0.01 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1cg1 s ALA 346 Cb 0.13 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 1cg1 s ALA 346 CO 0.76 -1.04 -0.22 0.71 0.00 0.00 0.00 175.76 175.97 1cg1 s TYR 347 N -3.89 2.10 -0.31 0.00 2.02 0.68 -0.25 117.35 117.70 1cg1 s TYR 347 Ca 0.11 -0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 56.09 1cg1 s TYR 347 Cb -0.06 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 1cg1 s TYR 347 CO 0.07 -0.16 0.37 0.50 -1.57 0.00 0.00 175.55 174.76 1cg1 s ARG 348 N -0.17 3.79 0.44 -0.62 6.06 0.17 -0.94 118.95 127.67 1cg1 s ARG 348 Ca -0.01 -0.18 -0.21 0.00 -2.50 0.00 0.00 55.73 52.82 1cg1 s ARG 348 Cb -0.12 -3.73 -0.10 0.00 0.06 0.00 0.00 34.95 31.06 1cg1 s ARG 348 CO 0.02 -0.41 0.99 -1.64 -2.50 0.00 0.00 175.30 171.76 1cg1 s MET 349 N 2.07 4.12 0.62 5.12 -1.94 0.03 -1.20 119.30 128.12 1cg1 s MET 349 Ca 0.14 1.25 0.29 0.00 -1.71 0.00 0.00 55.69 55.65 1cg1 s MET 349 Cb -0.16 -2.24 1.59 0.00 2.01 0.00 0.00 34.83 36.03 1cg1 s MET 349 CO 0.11 -0.14 1.89 -1.00 -0.01 0.00 0.00 175.02 175.87 1cg1 h PRO 350 N 1.96 0.00 -0.29 2.03 0.13 -1.89 0.43 132.00 134.37 1cg1 h PRO 350 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1cg1 h PRO 350 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1cg1 h PRO 350 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1cg1 n ASP 351 N -2.80 2.33 0.00 1.44 3.85 -1.26 -4.93 116.55 115.18 1cg1 n ASP 351 Ca -0.02 -1.85 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 1cg1 n ASP 351 Cb 0.34 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 1cg1 n ASP 351 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cg1 n GLY 352 N 1.25 2.52 3.77 6.12 0.00 0.15 -5.05 105.19 113.96 1cg1 n GLY 352 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1cg1 n GLY 352 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cg1 s ARG 353 N -0.80 4.18 -0.06 1.61 3.52 -1.25 -4.70 118.95 121.45 1cg1 s ARG 353 Ca 0.00 1.93 -0.15 0.00 -0.13 0.00 0.00 55.73 57.38 1cg1 s ARG 353 Cb 0.00 -2.82 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 1cg1 s ARG 353 CO 0.00 -0.23 0.39 -2.00 -0.81 0.00 0.00 175.30 172.64 1cg1 s GLU 354 N -2.09 4.03 0.05 5.12 2.12 -1.26 -0.79 118.70 125.88 1cg1 s GLU 354 Ca 0.54 0.33 0.00 0.00 0.36 0.00 0.00 54.97 56.20 1cg1 s GLU 354 Cb -0.33 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1cg1 s GLU 354 CO 0.42 0.52 -0.04 0.08 -0.54 0.00 0.00 175.26 175.69 1cg1 s VAL 355 N -0.48 0.31 -0.08 3.70 1.01 -0.11 -4.98 120.40 119.77 1cg1 s VAL 355 Ca 0.22 -1.42 0.12 0.00 0.00 0.00 0.00 61.98 60.90 1cg1 s VAL 355 Cb -0.15 -0.99 0.18 0.00 0.00 0.00 0.00 36.38 35.41 1cg1 s VAL 355 CO 0.11 -0.72 1.07 0.35 0.00 0.00 0.00 175.10 175.91 1cg1 n THR 356 N 0.78 1.34 -4.35 3.92 -2.24 -1.26 -0.23 114.28 112.23 1cg1 n THR 356 Ca -0.18 -1.58 -0.27 0.00 -2.27 0.00 0.00 64.05 59.75 1cg1 n THR 356 Cb 0.58 0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.74 1cg1 n THR 356 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cg1 s THR 357 N -1.96 2.05 0.26 4.28 2.01 -1.26 -4.85 115.64 116.17 1cg1 s THR 357 Ca 0.20 -1.69 -0.03 0.00 0.31 0.00 0.00 61.69 60.49 1cg1 s THR 357 Cb 0.18 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1cg1 s THR 357 CO 0.02 0.03 0.48 0.42 -0.69 0.00 0.00 174.62 174.88 1cg1 s THR 358 N -1.12 5.11 0.85 -0.82 -4.23 -1.26 -4.90 115.64 109.28 1cg1 s THR 358 Ca 0.11 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1cg1 s THR 358 Cb -0.10 -3.75 0.11 0.00 1.34 0.00 0.00 72.50 70.10 1cg1 s THR 358 CO 0.05 -0.28 1.18 -2.84 -0.54 0.00 0.00 174.62 172.19 1cg1 s PRO 359 N -3.53 1.59 0.00 3.99 0.02 -1.26 -5.08 135.00 130.73 1cg1 s PRO 359 Ca 0.41 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.54 1cg1 s PRO 359 Cb -0.11 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1cg1 s PRO 359 CO 0.30 -1.85 0.00 1.28 -0.33 0.00 0.00 177.00 176.40 1cg1 n LEU 360 N -3.49 0.04 -4.72 -5.54 4.77 -1.26 -4.97 117.00 101.82 1cg1 n LEU 360 Ca 0.08 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.71 1cg1 n LEU 360 Cb 0.60 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.78 1cg1 n LEU 360 CO 0.56 0.00 0.85 0.00 -1.33 0.00 0.00 177.39 177.47 1cg1 s ALA 361 N -4.07 2.24 0.24 -1.18 0.00 -1.26 -4.06 121.76 113.66 1cg1 s ALA 361 Ca 0.00 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 1cg1 s ALA 361 Cb 0.00 -3.52 0.39 0.00 0.00 0.00 0.00 23.12 19.99 1cg1 s ALA 361 CO 0.00 -1.75 1.64 0.00 0.00 0.00 0.00 175.76 175.65 1cg1 h ALA 362 N 0.13 0.71 -0.71 0.00 0.00 -0.62 -1.04 119.26 117.74 1cg1 h ALA 362 Ca -0.49 0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1cg1 h ALA 362 Cb 1.32 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1cg1 h ALA 362 CO 0.51 -0.42 0.47 -0.44 0.00 0.00 0.00 179.25 179.38 1cg1 h ASP 363 N 0.09 0.47 0.00 0.00 3.32 -1.91 -0.14 116.42 118.25 1cg1 h ASP 363 Ca 0.39 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1cg1 h ASP 363 Cb 0.66 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1cg1 h ASP 363 CO -0.64 0.27 0.00 0.47 -1.72 0.00 0.00 179.24 177.62 1cg1 n ASP 364 N -4.49 0.00 -0.30 6.45 10.43 -0.39 -2.12 116.55 126.13 1cg1 n ASP 364 Ca 0.12 -0.60 0.10 0.00 2.57 0.00 0.00 54.79 56.98 1cg1 n ASP 364 Cb 0.41 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.33 1cg1 n ASP 364 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1cg1 n TRP 365 N -0.96 0.00 -0.24 1.24 7.02 -0.07 -4.77 117.44 119.66 1cg1 n TRP 365 Ca 0.12 0.00 0.22 0.00 -1.02 0.00 0.00 57.50 56.82 1cg1 n TRP 365 Cb 0.06 0.00 0.40 0.00 -2.42 0.00 0.00 31.31 29.35 1cg1 n TRP 365 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1cg1 n LYS 366 N -0.51 -0.05 -0.93 -0.99 4.81 -0.90 -1.55 118.16 118.04 1cg1 n LYS 366 Ca 0.07 1.02 0.05 0.00 -0.87 0.00 0.00 58.31 58.58 1cg1 n LYS 366 Cb 0.38 -1.81 0.10 0.00 0.02 0.00 0.00 35.03 33.72 1cg1 n LYS 366 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cg1 n GLY 367 N -1.22 2.83 3.75 3.14 0.00 -1.26 -5.05 105.19 107.38 1cg1 n GLY 367 Ca 0.26 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 1cg1 n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cg1 s VAL 368 N -1.46 4.05 0.04 1.61 -7.23 -0.60 -3.92 120.40 112.90 1cg1 s VAL 368 Ca 0.32 1.96 0.07 0.00 -1.81 0.00 0.00 61.98 62.51 1cg1 s VAL 368 Cb 0.33 -4.25 -0.03 0.00 0.56 0.00 0.00 36.38 32.99 1cg1 s VAL 368 CO -0.10 0.42 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.35 1cg1 s GLU 369 N -0.90 2.13 0.10 4.82 0.41 -0.34 -4.89 118.70 120.04 1cg1 s GLU 369 Ca 0.43 -0.96 -0.18 0.00 -0.41 0.00 0.00 54.97 53.86 1cg1 s GLU 369 Cb -0.27 -2.24 -0.07 0.00 -1.78 0.00 0.00 34.13 29.78 1cg1 s GLU 369 CO 0.33 0.54 0.58 -1.25 -0.49 0.00 0.00 175.26 174.98 1cg1 s PRO 370 N -1.52 4.16 -0.20 0.39 0.04 -1.26 0.41 135.00 137.02 1cg1 s PRO 370 Ca 0.16 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 61.85 1cg1 s PRO 370 Cb -0.11 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1cg1 s PRO 370 CO 0.06 0.58 -0.00 0.42 0.04 0.00 0.00 177.00 178.10 1cg1 s ILE 371 N -1.23 3.90 0.48 0.56 1.01 0.66 -4.85 121.20 121.72 1cg1 s ILE 371 Ca 0.32 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.72 1cg1 s ILE 371 Cb -0.18 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.54 1cg1 s ILE 371 CO 0.19 0.42 0.50 -0.31 0.00 0.00 0.00 174.94 175.75 1cg1 s TYR 372 N 1.09 2.20 -0.10 3.97 2.02 -1.26 -1.27 117.35 124.00 1cg1 s TYR 372 Ca 0.02 -0.61 -0.00 0.00 -0.37 0.00 0.00 57.07 56.11 1cg1 s TYR 372 Cb -0.14 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 1cg1 s TYR 372 CO 0.01 -0.47 -0.07 -1.21 -1.57 0.00 0.00 175.55 172.25 1cg1 s GLU 373 N -4.31 1.35 -0.25 -0.62 2.02 -0.75 -4.83 118.70 111.30 1cg1 s GLU 373 Ca 0.49 -0.20 -0.09 0.00 0.02 0.00 0.00 54.97 55.18 1cg1 s GLU 373 Cb -0.05 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.73 1cg1 s GLU 373 CO 0.30 -0.22 0.14 0.99 0.02 0.00 0.00 175.26 176.48 1cg1 s THR 374 N 1.56 4.97 0.31 3.63 2.01 -1.26 -1.77 115.64 125.09 1cg1 s THR 374 Ca 0.01 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.16 1cg1 s THR 374 Cb -0.13 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1cg1 s THR 374 CO -0.06 0.32 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.12 1cg1 s MET 375 N 1.45 2.05 0.46 4.92 1.00 0.30 -4.97 119.30 124.51 1cg1 s MET 375 Ca 0.06 -1.68 -0.24 0.00 0.00 0.00 0.00 55.69 53.84 1cg1 s MET 375 Cb -0.15 -1.95 -0.07 0.00 0.00 0.00 0.00 34.83 32.66 1cg1 s MET 375 CO 0.07 0.22 1.24 -2.14 0.00 0.00 0.00 175.02 174.41 1cg1 s PRO 376 N -3.67 3.73 0.00 2.03 0.02 -1.26 -1.20 135.00 134.65 1cg1 s PRO 376 Ca 0.33 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1cg1 s PRO 376 Cb -0.02 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 32.00 1cg1 s PRO 376 CO 0.19 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1cg1 n GLY 377 N 0.58 0.44 3.27 0.52 0.00 0.35 -4.49 105.19 105.85 1cg1 n GLY 377 Ca 0.07 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1cg1 n GLY 377 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1cg1 s TRP 378 N 0.89 -0.49 -0.14 1.61 -2.14 -1.13 -4.80 118.94 112.74 1cg1 s TRP 378 Ca 0.00 1.12 0.17 0.00 2.66 0.00 0.00 56.10 60.05 1cg1 s TRP 378 Cb 0.00 0.18 -0.09 0.00 -3.10 0.00 0.00 33.47 30.47 1cg1 s TRP 378 CO 0.00 -0.26 0.95 0.66 -2.66 0.00 0.00 176.95 175.64 1cg1 h SER 379 N 6.17 0.00 -3.83 -2.66 4.64 -1.95 0.34 113.55 116.27 1cg1 h SER 379 Ca -0.31 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.45 1cg1 h SER 379 Cb 1.18 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.41 1cg1 h SER 379 CO 0.28 0.50 0.52 -0.62 -0.87 0.00 0.00 176.83 176.64 1cg1 n GLU 380 N -2.92 1.72 -2.67 4.77 4.71 -1.26 -4.32 120.64 120.67 1cg1 n GLU 380 Ca -0.07 0.63 -0.42 0.00 -0.01 0.00 0.00 57.16 57.28 1cg1 n GLU 380 Cb 0.79 -2.48 -0.03 0.00 -1.01 0.00 0.00 31.44 28.71 1cg1 n GLU 380 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1cg1 s SER 381 N -0.80 7.23 0.00 1.62 0.15 -1.26 -4.61 113.70 116.03 1cg1 s SER 381 Ca 0.68 1.57 0.17 0.00 0.70 0.00 0.00 55.95 59.06 1cg1 s SER 381 Cb -0.45 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.38 1cg1 s SER 381 CO 0.52 -0.45 0.96 0.35 1.20 0.00 0.00 173.24 175.82 1cg1 n THR 382 N 4.52 0.00 -1.64 6.45 -2.24 -1.26 -4.96 114.28 115.14 1cg1 n THR 382 Ca 0.09 -0.42 -0.48 0.00 -2.27 0.00 0.00 64.05 60.96 1cg1 n THR 382 Cb 0.49 1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.95 1cg1 n THR 382 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1cg1 n PHE 383 N 0.46 2.01 -0.76 4.78 7.35 -1.26 -1.84 117.46 128.19 1cg1 n PHE 383 Ca 0.08 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1cg1 n PHE 383 Cb 0.39 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.74 1cg1 n PHE 383 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cg1 n GLY 384 N 3.18 0.45 3.75 7.13 0.00 0.28 -4.98 105.19 115.00 1cg1 n GLY 384 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1cg1 n GLY 384 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cg1 s VAL 385 N -2.31 2.43 -0.22 1.61 1.01 -0.77 -4.75 120.40 117.40 1cg1 s VAL 385 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.41 1cg1 s VAL 385 Cb 0.00 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.27 1cg1 s VAL 385 CO 0.00 0.07 1.09 0.29 0.00 0.00 0.00 175.10 176.55 1cg1 n LYS 386 N 1.96 2.73 -4.07 2.72 4.76 -1.26 -4.22 118.16 120.79 1cg1 n LYS 386 Ca 0.06 -1.83 -0.15 0.00 -2.87 0.00 0.00 58.31 53.51 1cg1 n LYS 386 Cb 0.39 -1.17 -0.15 0.00 -1.84 0.00 0.00 35.03 32.27 1cg1 n LYS 386 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1cg1 s ASP 387 N -1.31 0.46 0.22 4.39 2.15 -1.26 -4.52 116.67 116.80 1cg1 s ASP 387 Ca 0.11 -0.07 -0.09 0.00 0.43 0.00 0.00 52.55 52.94 1cg1 s ASP 387 Cb 0.08 -0.09 0.21 0.00 -0.30 0.00 0.00 42.92 42.83 1cg1 s ASP 387 CO 0.04 0.02 1.88 0.03 -0.17 0.00 0.00 175.17 176.97 1cg1 h ARG 388 N 6.26 1.00 -1.29 4.34 3.08 -1.96 -0.12 114.38 125.70 1cg1 h ARG 388 Ca -0.29 -0.06 0.42 0.00 0.07 0.00 0.00 59.98 60.11 1cg1 h ARG 388 Cb 1.19 -0.23 -0.12 0.00 0.08 0.00 0.00 29.97 30.89 1cg1 h ARG 388 CO 0.50 0.66 0.83 0.77 -1.07 0.00 0.00 179.97 181.66 1cg1 h SER 389 N 1.03 0.26 -0.08 7.04 0.02 -2.02 0.87 113.55 120.68 1cg1 h SER 389 Ca 0.31 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1cg1 h SER 389 Cb -0.04 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1cg1 h SER 389 CO -0.09 -0.15 0.00 0.61 -1.14 0.00 0.00 176.83 176.05 1cg1 n GLY 390 N -1.52 -0.59 3.75 -3.77 0.00 -0.06 -4.79 105.19 98.21 1cg1 n GLY 390 Ca 0.36 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1cg1 n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cg1 s LEU 391 N -1.10 3.83 0.64 0.99 1.43 0.30 -4.88 118.68 119.89 1cg1 s LEU 391 Ca 0.10 0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 1cg1 s LEU 391 Cb 0.05 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1cg1 s LEU 391 CO 0.07 0.34 1.06 -2.16 0.23 0.00 0.00 176.35 175.89 1cg1 s PRO 392 N -1.23 3.16 0.47 1.29 0.04 -1.26 -4.83 135.00 132.65 1cg1 s PRO 392 Ca 0.17 1.09 0.19 0.00 0.04 0.00 0.00 61.00 62.49 1cg1 s PRO 392 Cb -0.12 -2.02 1.18 0.00 0.04 0.00 0.00 34.50 33.59 1cg1 s PRO 392 CO 0.07 -0.93 1.95 0.37 0.04 0.00 0.00 177.00 178.50 1cg1 h GLN 393 N -0.06 0.25 -0.64 4.56 5.75 -1.97 0.49 115.11 123.49 1cg1 h GLN 393 Ca -0.45 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 57.99 1cg1 h GLN 393 Cb 1.21 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 1cg1 h GLN 393 CO 0.57 0.17 0.24 0.00 -2.65 0.00 0.00 178.83 177.16 1cg1 h ALA 394 N 1.68 0.83 -0.39 3.38 0.00 -1.90 0.19 119.26 123.04 1cg1 h ALA 394 Ca 0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1cg1 h ALA 394 Cb 0.91 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1cg1 h ALA 394 CO -0.07 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.68 1cg1 h ALA 395 N 1.10 0.52 -0.59 0.00 0.00 -1.26 -1.21 119.26 117.81 1cg1 h ALA 395 Ca 0.21 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1cg1 h ALA 395 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1cg1 h ALA 395 CO -0.01 0.27 0.08 -0.07 0.00 0.00 0.00 179.25 179.51 1cg1 h LEU 396 N 0.50 0.92 0.04 0.00 3.38 -1.10 -1.85 115.31 117.20 1cg1 h LEU 396 Ca 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1cg1 h LEU 396 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1cg1 h LEU 396 CO 0.01 0.93 -0.02 0.78 0.09 0.00 0.00 178.44 180.24 1cg1 h ASN 397 N 0.91 -0.05 -0.78 -0.43 -0.26 -0.38 0.15 115.58 114.73 1cg1 h ASN 397 Ca 0.18 -0.15 0.16 0.00 -0.56 0.00 0.00 56.30 55.94 1cg1 h ASN 397 Cb 0.42 0.01 -0.11 0.00 -1.06 0.00 0.00 38.32 37.58 1cg1 h ASN 397 CO 0.01 0.12 0.28 0.22 -1.06 0.00 0.00 177.43 177.00 1cg1 h TYR 398 N -0.21 0.46 0.37 1.19 3.20 -1.13 0.45 116.97 121.31 1cg1 h TYR 398 Ca -0.01 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1cg1 h TYR 398 Cb 0.19 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1cg1 h TYR 398 CO -0.02 -0.01 -0.18 0.82 -1.64 0.00 0.00 178.16 177.13 1cg1 h ILE 399 N 0.38 0.64 -0.73 1.81 2.04 -0.47 -1.69 117.51 119.48 1cg1 h ILE 399 Ca 0.45 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 66.25 1cg1 h ILE 399 Cb 0.75 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1cg1 h ILE 399 CO -0.47 0.02 0.44 0.50 0.00 0.00 0.00 178.15 178.65 1cg1 h LYS 400 N -0.56 0.81 -0.01 2.37 1.63 0.36 -2.12 116.57 119.05 1cg1 h LYS 400 Ca -0.05 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1cg1 h LYS 400 Cb 0.42 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 1cg1 h LYS 400 CO 0.08 0.54 -0.26 -0.09 -3.45 0.00 0.00 179.45 176.27 1cg1 h ARG 401 N 0.83 -0.38 -0.75 1.90 9.65 0.04 0.13 114.38 125.80 1cg1 h ARG 401 Ca 0.31 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.33 1cg1 h ARG 401 Cb 0.11 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.70 1cg1 h ARG 401 CO -0.15 -0.26 0.37 0.82 2.80 0.00 0.00 179.97 183.55 1cg1 h ILE 402 N -0.40 0.81 -0.21 1.20 2.04 -0.83 0.17 117.51 120.28 1cg1 h ILE 402 Ca 0.07 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1cg1 h ILE 402 Cb 0.49 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1cg1 h ILE 402 CO -0.24 0.11 0.11 -0.33 0.00 0.00 0.00 178.15 177.80 1cg1 h GLU 403 N 0.60 0.30 0.07 2.37 5.08 -0.74 -1.16 114.58 121.10 1cg1 h GLU 403 Ca 0.38 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1cg1 h GLU 403 Cb 0.45 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1cg1 h GLU 403 CO -0.30 0.30 -0.46 0.93 -1.00 0.00 0.00 179.01 178.48 1cg1 h GLU 404 N 0.23 -0.63 -0.41 2.33 5.08 0.10 1.12 114.58 122.39 1cg1 h GLU 404 Ca 0.07 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1cg1 h GLU 404 Cb 0.09 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1cg1 h GLU 404 CO -0.01 -0.42 0.28 -0.07 -1.00 0.00 0.00 179.01 177.79 1cg1 h LEU 405 N -0.65 0.20 0.00 1.33 3.38 -0.63 -3.23 115.31 115.71 1cg1 h LEU 405 Ca 0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.62 1cg1 h LEU 405 Cb 0.70 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 1cg1 h LEU 405 CO -0.29 0.13 -2.38 0.35 0.09 0.00 0.00 178.44 176.33 1cg1 n THR 406 N -4.47 1.43 -0.85 0.22 -2.24 -0.45 -5.00 114.28 102.93 1cg1 n THR 406 Ca 0.06 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1cg1 n THR 406 Cb 0.32 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1cg1 n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg1 n GLY 407 N 1.89 0.51 3.00 3.38 0.00 0.38 -5.04 105.19 109.31 1cg1 n GLY 407 Ca -0.36 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 1cg1 n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cg1 s VAL 408 N -2.00 0.90 0.30 1.61 1.01 -1.23 -5.07 120.40 115.92 1cg1 s VAL 408 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1cg1 s VAL 408 Cb 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1cg1 s VAL 408 CO 0.00 0.29 1.10 -2.16 0.00 0.00 0.00 175.10 174.33 1cg1 s PRO 409 N 0.48 4.55 -0.69 2.72 0.04 -1.26 -4.42 135.00 136.43 1cg1 s PRO 409 Ca -0.09 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 1cg1 s PRO 409 Cb -0.12 -3.09 0.09 0.00 0.04 0.00 0.00 34.50 31.42 1cg1 s PRO 409 CO 0.02 0.14 0.93 0.42 0.04 0.00 0.00 177.00 178.55 1cg1 s ILE 410 N -1.23 4.53 -0.34 0.56 1.01 -1.26 -1.67 121.20 122.79 1cg1 s ILE 410 Ca 0.47 -0.75 0.25 0.00 0.00 0.00 0.00 60.65 60.61 1cg1 s ILE 410 Cb -0.31 -4.65 0.34 0.00 0.01 0.00 0.00 42.46 37.85 1cg1 s ILE 410 CO 0.39 -1.38 1.67 0.44 0.00 0.00 0.00 174.94 176.06 1cg1 h ASP 411 N 9.33 0.00 -3.93 3.58 3.45 -1.58 -3.46 116.42 123.81 1cg1 h ASP 411 Ca -0.21 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.06 1cg1 h ASP 411 Cb 1.07 0.00 -0.26 0.00 -0.56 0.00 0.00 39.33 39.57 1cg1 h ASP 411 CO 1.15 0.01 -0.58 -0.63 -1.57 0.00 0.00 179.24 177.61 1cg1 s ILE 412 N -3.29 0.01 -0.08 0.35 1.01 -1.07 -0.11 121.20 118.02 1cg1 s ILE 412 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1cg1 s ILE 412 Cb 0.06 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.35 1cg1 s ILE 412 CO 0.65 -0.05 -0.14 -0.63 0.00 0.00 0.00 174.94 174.77 1cg1 s ILE 413 N -0.13 1.28 -0.15 2.92 1.01 -0.10 -0.36 121.20 125.67 1cg1 s ILE 413 Ca -0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 1cg1 s ILE 413 Cb -0.02 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1cg1 s ILE 413 CO 0.00 0.39 0.07 -0.55 0.00 0.00 0.00 174.94 174.85 1cg1 s SER 414 N 0.76 5.77 -0.26 3.58 0.15 0.11 -0.10 113.70 123.70 1cg1 s SER 414 Ca -0.12 0.20 0.15 0.00 0.70 0.00 0.00 55.95 56.88 1cg1 s SER 414 Cb -0.16 -1.89 0.48 0.00 -1.71 0.00 0.00 66.02 62.74 1cg1 s SER 414 CO 0.03 0.28 1.16 0.35 1.20 0.00 0.00 173.24 176.25 1cg1 n THR 415 N 2.83 1.87 0.00 6.45 -2.24 0.03 -3.27 114.28 119.95 1cg1 n THR 415 Ca -0.18 -3.48 0.00 0.00 -2.27 0.00 0.00 64.05 58.12 1cg1 n THR 415 Cb 0.53 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1cg1 n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg1 n GLY 416 N -0.63 3.11 0.20 3.38 0.00 -1.23 0.10 105.19 110.12 1cg1 n GLY 416 Ca 0.25 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 45.18 1cg1 n GLY 416 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cg1 h PRO 417 N 0.00 0.00 -6.93 1.61 0.13 -1.96 -3.45 132.00 121.41 1cg1 h PRO 417 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1cg1 h PRO 417 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1cg1 h PRO 417 CO 0.00 0.32 0.58 0.34 -0.23 0.00 0.00 178.00 179.01 1cg1 s ASP 418 N -6.43 6.49 0.34 1.44 2.15 -1.26 -4.20 116.67 115.20 1cg1 s ASP 418 Ca -0.01 2.56 0.14 0.00 0.43 0.00 0.00 52.55 55.67 1cg1 s ASP 418 Cb 0.12 -2.63 1.10 0.00 -0.30 0.00 0.00 42.92 41.20 1cg1 s ASP 418 CO 0.67 -0.72 1.63 -0.09 -0.17 0.00 0.00 175.17 176.50 1cg1 h ARG 419 N 2.84 0.21 -0.00 4.34 2.43 -1.40 -2.33 114.38 120.47 1cg1 h ARG 419 Ca -0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1cg1 h ARG 419 Cb 1.24 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1cg1 h ARG 419 CO 0.63 0.14 -0.45 0.25 -1.51 0.00 0.00 179.97 179.03 1cg1 n THR 420 N -5.15 0.00 -2.10 0.20 -2.24 -1.26 -4.51 114.28 99.22 1cg1 n THR 420 Ca 0.32 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.65 1cg1 n THR 420 Cb 1.02 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1cg1 n THR 420 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cg1 n GLU 421 N -1.34 3.11 -3.48 -0.78 1.02 -0.88 -4.83 120.64 113.46 1cg1 n GLU 421 Ca 0.07 -3.00 -0.13 0.00 -0.02 0.00 0.00 57.16 54.07 1cg1 n GLU 421 Cb 0.34 -3.24 -0.03 0.00 -0.02 0.00 0.00 31.44 28.49 1cg1 n GLU 421 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1cg1 s THR 422 N 2.69 0.01 -0.12 2.62 2.01 -1.26 -0.79 115.64 120.81 1cg1 s THR 422 Ca 0.46 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1cg1 s THR 422 Cb 0.10 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.61 1cg1 s THR 422 CO -0.03 -0.05 -0.16 -0.04 -0.69 0.00 0.00 174.62 173.64 1cg1 s MET 423 N -3.13 2.35 -0.42 4.92 -1.94 0.85 -4.59 119.30 117.34 1cg1 s MET 423 Ca -0.02 -0.61 -0.16 0.00 -1.71 0.00 0.00 55.69 53.20 1cg1 s MET 423 Cb -0.00 -1.99 0.03 0.00 2.01 0.00 0.00 34.83 34.87 1cg1 s MET 423 CO -0.07 -0.07 0.35 0.42 -0.01 0.00 0.00 175.02 175.64 1cg1 s ILE 424 N 0.99 5.21 0.04 2.53 1.01 -1.26 -0.92 121.20 128.79 1cg1 s ILE 424 Ca -0.06 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.06 1cg1 s ILE 424 Cb -0.15 -3.98 -0.22 0.00 0.01 0.00 0.00 42.46 38.12 1cg1 s ILE 424 CO -0.02 -0.37 0.97 -0.07 0.00 0.00 0.00 174.94 175.45 1cg1 h LEU 425 N 8.76 0.02 -7.09 2.97 3.38 -0.85 -3.45 115.31 119.04 1cg1 h LEU 425 Ca -0.27 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1cg1 h LEU 425 Cb 1.12 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.61 1cg1 h LEU 425 CO 0.76 1.02 -0.27 -0.60 0.09 0.00 0.00 178.44 179.44 1cg1 s ARG 426 N -2.65 0.42 -0.30 1.13 3.52 0.02 -5.03 118.95 116.06 1cg1 s ARG 426 Ca -0.02 1.14 -0.29 0.00 -0.13 0.00 0.00 55.73 56.43 1cg1 s ARG 426 Cb 0.09 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.93 1cg1 s ARG 426 CO 0.82 -0.22 1.06 0.34 -0.81 0.00 0.00 175.30 176.49 1cg1 s ASP 427 N 2.51 6.97 0.35 -2.12 3.68 -1.26 -4.63 116.67 122.17 1cg1 s ASP 427 Ca -0.04 1.12 0.15 0.00 2.13 0.00 0.00 52.55 55.91 1cg1 s ASP 427 Cb -0.11 -2.54 1.05 0.00 -1.45 0.00 0.00 42.92 39.86 1cg1 s ASP 427 CO -0.15 -0.83 1.71 -0.65 0.13 0.00 0.00 175.17 175.38 1cg1 h PRO 428 N 7.94 0.40 0.00 4.34 0.11 -1.95 0.23 132.00 143.08 1cg1 h PRO 428 Ca -0.20 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 1cg1 h PRO 428 Cb 1.06 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1cg1 h PRO 428 CO 1.02 0.27 -0.00 0.74 -0.21 0.00 0.00 178.00 179.81 1cg1 h PHE 429 N 0.41 0.00 0.01 0.65 0.05 -1.93 0.18 116.94 116.32 1cg1 h PHE 429 Ca 0.68 0.00 -0.32 0.00 3.82 0.00 0.00 57.97 62.15 1cg1 h PHE 429 Cb 1.55 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.45 1cg1 h PHE 429 CO -0.01 0.00 -1.93 -0.25 -0.18 0.00 0.00 178.31 175.95 1cg1 n ASP 430 N -3.11 0.79 0.00 2.17 10.43 0.79 -2.45 116.55 125.17 1cg1 n ASP 430 Ca -0.02 0.28 0.04 0.00 2.57 0.00 0.00 54.79 57.66 1cg1 n ASP 430 Cb 0.16 0.13 0.24 0.00 1.84 0.00 0.00 41.12 43.49 1cg1 n ASP 430 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13