#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ade h ASN 2 N 0.00 0.71 -3.36 1.61 -0.26 -1.85 -3.35 115.58 109.09 1ade h ASN 2 Ca 0.00 -0.93 -0.73 0.00 -0.56 0.00 0.00 56.30 54.09 1ade h ASN 2 Cb 0.00 -0.23 -0.27 0.00 -1.06 0.00 0.00 38.32 36.76 1ade h ASN 2 CO 0.00 1.68 -0.40 0.20 -1.06 0.00 0.00 177.43 177.84 1ade s ASN 3 N -7.40 5.79 -0.10 5.81 0.01 -1.26 -2.11 114.94 115.68 1ade s ASN 3 Ca -0.12 -1.60 -0.03 0.00 -0.71 0.00 0.00 52.86 50.40 1ade s ASN 3 Cb 0.04 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 1ade s ASN 3 CO 0.90 -0.62 0.03 -0.69 -1.51 0.00 0.00 177.10 175.21 1ade s VAL 4 N 1.46 4.58 -0.18 1.60 1.01 -0.53 -1.61 120.40 126.73 1ade s VAL 4 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1ade s VAL 4 Cb -0.25 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1ade s VAL 4 CO 0.02 0.60 -0.12 -0.69 0.00 0.00 0.00 175.10 174.92 1ade s VAL 5 N -0.86 2.86 -0.14 2.92 1.01 -0.17 -0.29 120.40 125.72 1ade s VAL 5 Ca 0.13 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1ade s VAL 5 Cb -0.12 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1ade s VAL 5 CO 0.03 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 174.82 1ade s VAL 6 N 1.09 3.26 0.16 2.92 1.01 -0.59 -0.24 120.40 128.01 1ade s VAL 6 Ca 0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1ade s VAL 6 Cb -0.15 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1ade s VAL 6 CO -0.03 0.51 0.51 -1.48 0.00 0.00 0.00 175.10 174.62 1ade s LEU 7 N 0.40 -0.05 0.13 3.92 2.34 -0.77 -1.57 118.68 123.08 1ade s LEU 7 Ca -0.09 -0.27 -0.30 0.00 0.06 0.00 0.00 54.13 53.54 1ade s LEU 7 Cb -0.15 2.22 -0.07 0.00 -0.56 0.00 0.00 46.19 47.63 1ade s LEU 7 CO 0.05 -0.97 1.13 -0.83 -1.06 0.00 0.00 176.35 174.67 1ade s GLY 8 N -2.81 2.70 0.00 -3.48 0.00 -1.25 -0.90 107.32 101.59 1ade s GLY 8 Ca 0.04 0.82 0.24 0.00 0.00 0.00 0.00 44.72 45.82 1ade s GLY 8 CO -0.09 1.79 1.27 -1.30 0.00 0.00 0.00 173.10 174.77 1ade n THR 9 N 2.96 0.00 0.00 0.90 -2.24 -0.70 -1.02 114.28 114.19 1ade n THR 9 Ca 0.05 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ade n THR 9 Cb 0.46 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1ade n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ade n GLN 10 N -1.17 0.00 -0.37 -0.78 6.02 -1.26 -4.40 117.38 115.42 1ade n GLN 10 Ca 0.07 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.14 1ade n GLN 10 Cb 0.35 0.00 0.23 0.00 1.02 0.00 0.00 30.24 31.84 1ade n GLN 10 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1ade n TRP 11 N 0.00 0.78 0.00 1.08 8.01 -1.26 -1.98 117.44 124.07 1ade n TRP 11 Ca 0.00 -0.84 0.00 0.00 -1.31 0.00 0.00 57.50 55.35 1ade n TRP 11 Cb 0.00 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 29.04 1ade n TRP 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ade n GLY 12 N -0.50 1.06 2.47 6.99 0.00 -1.26 -4.64 105.19 109.31 1ade n GLY 12 Ca 0.19 -2.10 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 1ade n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ade n ASP 13 N 0.00 -5.37 0.24 1.61 8.00 -1.26 -4.82 116.55 114.95 1ade n ASP 13 Ca 0.00 0.31 0.12 0.00 0.71 0.00 0.00 54.79 55.93 1ade n ASP 13 Cb 0.00 -4.65 0.53 0.00 -0.02 0.00 0.00 41.12 36.97 1ade n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ade h GLU 14 N 0.00 0.00 -0.19 -1.24 3.07 -1.93 -3.48 114.58 110.81 1ade h GLU 14 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1ade h GLU 14 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1ade h GLU 14 CO 0.58 0.15 0.00 0.41 -1.40 0.00 0.00 179.01 178.75 1ade n GLY 15 N 0.10 1.10 0.20 -3.84 0.00 -1.26 -4.42 105.19 97.07 1ade n GLY 15 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.91 1ade n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ade h LYS 16 N 0.00 0.00 -0.96 1.61 2.10 -1.96 -3.34 116.57 114.02 1ade h LYS 16 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 1ade h LYS 16 Cb 0.23 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.40 1ade h LYS 16 CO 0.00 0.34 -0.37 0.78 -2.00 0.00 0.00 179.45 178.20 1ade h GLY 17 N 1.47 0.13 1.02 0.07 0.00 -1.97 0.22 103.07 104.02 1ade h GLY 17 Ca -0.00 0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.78 1ade h GLY 17 CO 0.04 -0.22 0.29 1.70 0.00 0.00 0.00 176.54 178.35 1ade h LYS 18 N -0.02 1.05 -0.34 4.80 3.64 -1.96 -1.85 116.57 121.90 1ade h LYS 18 Ca 0.35 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1ade h LYS 18 Cb 0.61 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1ade h LYS 18 CO -0.96 0.87 -0.02 0.82 -2.27 0.00 0.00 179.45 177.88 1ade h ILE 19 N 1.01 1.26 -0.33 2.00 1.08 -1.22 -1.18 117.51 120.13 1ade h ILE 19 Ca 0.24 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.75 1ade h ILE 19 Cb 0.21 1.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 1ade h ILE 19 CO -0.02 0.33 -0.04 0.58 -0.69 0.00 0.00 178.15 178.32 1ade h VAL 20 N 0.42 0.71 -0.71 1.67 2.07 -0.44 -1.11 116.25 118.85 1ade h VAL 20 Ca 0.09 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1ade h VAL 20 Cb 0.49 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1ade h VAL 20 CO 0.02 0.01 0.43 0.44 0.02 0.00 0.00 177.57 178.49 1ade h ASP 21 N 0.05 0.69 -0.35 0.57 3.32 -1.14 -1.03 116.42 118.53 1ade h ASP 21 Ca 0.16 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ade h ASP 21 Cb 0.23 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1ade h ASP 21 CO -0.30 0.46 0.15 0.25 -1.72 0.00 0.00 179.24 178.08 1ade h LEU 22 N 0.83 0.48 -1.56 1.55 5.85 -0.62 -2.58 115.31 119.26 1ade h LEU 22 Ca 0.30 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ade h LEU 22 Cb 0.09 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1ade h LEU 22 CO -0.14 0.50 0.20 -0.07 -0.34 0.00 0.00 178.44 178.59 1ade h LEU 23 N 0.43 0.43 0.00 2.25 3.38 -0.56 -1.99 115.31 119.25 1ade h LEU 23 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ade h LEU 23 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ade h LEU 23 CO -0.01 0.35 0.00 0.35 0.09 0.00 0.00 178.44 179.22 1ade n THR 24 N -4.44 1.10 0.19 0.22 -2.24 -0.45 -1.62 114.28 107.04 1ade n THR 24 Ca 0.02 0.28 0.06 0.00 -2.27 0.00 0.00 64.05 62.14 1ade n THR 24 Cb 0.10 -1.15 0.36 0.00 -2.10 0.00 0.00 70.33 67.54 1ade n THR 24 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ade h GLU 25 N 0.00 0.00 0.00 -0.78 5.08 -1.43 -3.33 114.58 114.11 1ade h GLU 25 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1ade h GLU 25 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1ade h GLU 25 CO 0.00 0.36 -1.89 0.54 -1.00 0.00 0.00 179.01 177.02 1ade n ARG 26 N -3.57 1.11 -1.73 2.33 1.74 -0.64 -5.02 116.66 110.89 1ade n ARG 26 Ca -0.00 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1ade n ARG 26 Cb 0.49 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.59 1ade n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ade n ALA 27 N -2.74 2.14 0.02 7.54 0.00 -0.86 -4.80 120.51 121.81 1ade n ALA 27 Ca -0.25 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1ade n ALA 27 Cb 0.85 -2.41 -0.14 0.00 0.00 0.00 0.00 19.45 17.75 1ade n ALA 27 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ade h LYS 28 N 4.36 0.14 -5.73 0.00 3.11 -0.08 -3.43 116.57 114.94 1ade h LYS 28 Ca -0.47 -0.24 -0.57 0.00 -2.81 0.00 0.00 60.65 56.57 1ade h LYS 28 Cb 1.24 0.09 -0.30 0.00 -1.00 0.00 0.00 32.23 32.26 1ade h LYS 28 CO 0.76 0.90 -0.84 0.71 -2.81 0.00 0.00 179.45 178.17 1ade s TYR 29 N -2.61 1.69 -0.16 1.91 2.02 -0.77 -2.03 117.35 117.40 1ade s TYR 29 Ca -0.09 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1ade s TYR 29 Cb 0.07 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.55 1ade s TYR 29 CO 0.82 -0.05 -0.20 0.08 -1.57 0.00 0.00 175.55 174.63 1ade s VAL 30 N -0.36 2.00 -0.09 0.71 1.01 -0.57 -0.96 120.40 122.14 1ade s VAL 30 Ca 0.05 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1ade s VAL 30 Cb -0.08 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1ade s VAL 30 CO -0.00 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 174.70 1ade s VAL 31 N 1.16 2.05 -0.11 2.92 1.01 0.87 -0.43 120.40 127.87 1ade s VAL 31 Ca 0.01 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 1ade s VAL 31 Cb -0.14 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1ade s VAL 31 CO -0.09 0.56 0.34 -0.13 0.00 0.00 0.00 175.10 175.78 1ade s ARG 32 N 0.22 4.12 0.00 2.72 1.81 -0.55 -0.50 118.95 126.78 1ade s ARG 32 Ca -0.15 0.21 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 1ade s ARG 32 Cb -0.17 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 30.97 1ade s ARG 32 CO 0.08 0.37 0.22 2.48 -0.68 0.00 0.00 175.30 177.77 1ade n TYR 33 N 3.05 0.00 -3.79 -0.53 4.11 -1.26 -0.28 117.16 118.46 1ade n TYR 33 Ca -0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.68 1ade n TYR 33 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.81 1ade n TYR 33 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 1ade s GLN 34 N -0.13 1.28 2.27 -3.48 1.03 -1.26 -4.03 119.66 115.34 1ade s GLN 34 Ca 0.00 -0.94 0.00 0.00 0.04 0.00 0.00 55.36 54.46 1ade s GLN 34 Cb 0.00 0.47 0.00 0.00 0.03 0.00 0.00 33.01 33.51 1ade s GLN 34 CO 0.00 -0.52 0.00 0.41 -2.54 0.00 0.00 175.29 172.64 1ade n GLY 35 N -0.29 -0.81 0.00 2.60 0.00 -1.25 -4.69 105.19 100.75 1ade n GLY 35 Ca -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1ade n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ade n GLY 36 N 0.00 5.47 2.26 -0.02 0.00 -1.26 -1.36 105.19 110.27 1ade n GLY 36 Ca 0.00 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1ade n GLY 36 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ade n HIS 37 N 0.00 1.84 -1.39 1.61 1.44 -1.26 -4.18 115.22 113.28 1ade n HIS 37 Ca 0.00 -2.66 0.03 0.00 -2.01 0.00 0.00 57.72 53.08 1ade n HIS 37 Cb 0.00 -2.20 0.04 0.00 0.12 0.00 0.00 29.99 27.95 1ade n HIS 37 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1ade n ASN 38 N 3.08 0.85 0.16 4.39 6.94 -1.13 -4.10 115.26 125.46 1ade n ASN 38 Ca 0.68 -2.15 0.06 0.00 -0.02 0.00 0.00 54.58 53.16 1ade n ASN 38 Cb 0.40 -0.21 0.56 0.00 -2.36 0.00 0.00 39.78 38.17 1ade n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ade h ALA 39 N 0.00 1.89 -4.79 -2.53 0.00 -1.47 -3.47 119.26 108.89 1ade h ALA 39 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1ade h ALA 39 Cb 1.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ade h ALA 39 CO 0.00 0.10 -0.56 0.41 0.00 0.00 0.00 179.25 179.21 1ade n GLY 40 N -1.51 -0.50 3.56 0.00 0.00 -1.18 -4.89 105.19 100.67 1ade n GLY 40 Ca -0.01 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ade n GLY 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ade s HIS 41 N -3.01 2.48 -0.14 1.61 2.46 0.12 -4.84 115.29 113.96 1ade s HIS 41 Ca 0.31 0.16 -0.26 0.00 0.47 0.00 0.00 55.06 55.74 1ade s HIS 41 Cb -0.15 -4.54 -0.02 0.00 -0.13 0.00 0.00 32.58 27.75 1ade s HIS 41 CO 0.38 -1.79 0.84 0.95 -2.47 0.00 0.00 174.74 172.65 1ade s THR 42 N 5.21 4.89 0.01 0.89 -4.23 -1.26 0.12 115.64 121.27 1ade s THR 42 Ca 0.38 1.66 -0.00 0.00 -1.18 0.00 0.00 61.69 62.56 1ade s THR 42 Cb -0.08 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.61 1ade s THR 42 CO 0.20 0.06 0.01 0.00 -0.54 0.00 0.00 174.62 174.35 1ade n LEU 43 N 4.98 0.00 -3.82 4.79 -0.00 0.13 -4.98 117.00 118.11 1ade n LEU 43 Ca 0.04 -0.07 -0.30 0.00 -0.00 0.00 0.00 56.01 55.68 1ade n LEU 43 Cb 0.49 0.06 -0.15 0.00 -0.00 0.00 0.00 43.42 43.82 1ade n LEU 43 CO 0.49 -0.01 -0.31 -0.69 -0.00 0.00 0.00 177.39 176.87 1ade s VAL 44 N -2.37 1.45 -0.03 1.47 1.01 -1.26 0.58 120.40 121.26 1ade s VAL 44 Ca 0.01 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 59.81 1ade s VAL 44 Cb -0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1ade s VAL 44 CO 0.01 -0.71 0.51 -0.63 0.00 0.00 0.00 175.10 174.28 1ade s ILE 45 N 1.07 5.00 -1.24 2.22 1.01 0.60 -4.41 121.20 125.45 1ade s ILE 45 Ca 0.12 1.06 -0.11 0.00 0.00 0.00 0.00 60.65 61.72 1ade s ILE 45 Cb -0.20 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.54 1ade s ILE 45 CO -0.14 0.44 0.28 0.59 0.00 0.00 0.00 174.94 176.11 1ade n ASN 46 N 2.68 -0.64 0.00 3.58 3.02 -1.26 0.14 115.26 122.77 1ade n ASN 46 Ca -0.09 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1ade n ASN 46 Cb 0.51 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1ade n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ade n GLY 47 N -1.29 2.63 3.64 7.41 0.00 -1.26 -5.06 105.19 111.27 1ade n GLY 47 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1ade n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ade s GLU 48 N -0.82 2.33 0.15 1.61 2.02 0.37 -5.07 118.70 119.28 1ade s GLU 48 Ca 0.00 -1.07 -0.29 0.00 0.02 0.00 0.00 54.97 53.63 1ade s GLU 48 Cb 0.00 -2.35 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 1ade s GLU 48 CO 0.00 0.47 0.91 0.15 0.02 0.00 0.00 175.26 176.81 1ade s LYS 49 N -2.70 4.70 0.25 1.61 1.02 -1.26 0.22 119.74 123.59 1ade s LYS 49 Ca 0.26 1.37 -0.02 0.00 0.02 0.00 0.00 55.97 57.60 1ade s LYS 49 Cb -0.10 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1ade s LYS 49 CO 0.17 0.36 0.27 0.99 -0.92 0.00 0.00 175.35 176.22 1ade s THR 50 N -0.50 0.00 -0.07 2.17 2.01 0.20 -4.85 115.64 114.61 1ade s THR 50 Ca 0.43 -1.82 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1ade s THR 50 Cb -0.24 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.84 1ade s THR 50 CO 0.29 0.00 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.48 1ade s VAL 51 N -3.88 0.66 -0.20 3.82 1.01 -1.26 0.19 120.40 120.74 1ade s VAL 51 Ca 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1ade s VAL 51 Cb 0.04 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1ade s VAL 51 CO 0.15 0.28 -0.03 -0.76 0.00 0.00 0.00 175.10 174.74 1ade s LEU 52 N 1.29 3.08 -0.08 3.92 1.43 0.32 -4.92 118.68 123.71 1ade s LEU 52 Ca -0.05 -0.28 0.14 0.00 -1.03 0.00 0.00 54.13 52.92 1ade s LEU 52 Cb -0.14 -1.77 -0.21 0.00 0.03 0.00 0.00 46.19 44.10 1ade s LEU 52 CO -0.02 0.04 0.20 1.41 0.23 0.00 0.00 176.35 178.21 1ade n HIS 53 N 4.38 0.00 0.00 0.29 8.25 -1.26 0.12 115.22 127.00 1ade n HIS 53 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1ade n HIS 53 Cb 0.52 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1ade n HIS 53 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1ade n LEU 54 N -2.30 1.45 -4.71 2.41 7.94 -1.26 -1.62 117.00 118.91 1ade n LEU 54 Ca -0.13 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.35 1ade n LEU 54 Cb 0.70 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.61 1ade n LEU 54 CO 0.32 0.23 0.64 -0.63 -1.11 0.00 0.00 177.39 176.84 1ade s ILE 55 N -1.98 4.89 0.66 1.96 1.01 -1.26 -5.01 121.20 121.47 1ade s ILE 55 Ca 0.00 1.92 -0.18 0.00 0.00 0.00 0.00 60.65 62.39 1ade s ILE 55 Cb 0.00 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1ade s ILE 55 CO 0.00 0.14 1.27 -2.65 0.00 0.00 0.00 174.94 173.71 1ade n PRO 56 N 4.13 1.05 0.33 2.79 -0.02 -1.26 -4.86 135.00 137.16 1ade n PRO 56 Ca 0.05 0.42 0.22 0.00 -2.02 0.00 0.00 63.50 62.17 1ade n PRO 56 Cb 0.51 -2.51 1.19 0.00 -0.02 0.00 0.00 33.50 32.67 1ade n PRO 56 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ade h SER 57 N 0.44 0.00 0.22 2.55 4.64 -1.95 -2.46 113.55 116.99 1ade h SER 57 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ade h SER 57 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1ade h SER 57 CO 0.52 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 1ade n GLY 58 N -1.09 -0.91 0.33 -0.77 0.00 -1.26 -2.24 105.19 99.25 1ade n GLY 58 Ca -0.03 0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.31 1ade n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ade h ILE 59 N 0.00 0.11 0.00 -0.61 6.09 -1.78 -2.51 117.51 118.81 1ade h ILE 59 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ade h ILE 59 Cb 0.11 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.34 1ade h ILE 59 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 1ade n LEU 60 N -3.22 0.05 -4.49 2.19 4.77 -0.95 -4.81 117.00 110.53 1ade n LEU 60 Ca -0.03 0.51 -0.33 0.00 -0.03 0.00 0.00 56.01 56.13 1ade n LEU 60 Cb 0.13 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 1ade n LEU 60 CO 0.21 -0.14 -0.42 -0.13 -1.33 0.00 0.00 177.39 175.58 1ade s ARG 61 N -3.01 2.77 0.38 3.23 0.52 -0.95 -5.04 118.95 116.86 1ade s ARG 61 Ca 0.10 -0.64 0.12 0.00 -0.52 0.00 0.00 55.73 54.80 1ade s ARG 61 Cb 0.14 -2.51 0.75 0.00 0.52 0.00 0.00 34.95 33.86 1ade s ARG 61 CO 0.41 0.56 1.85 1.05 0.02 0.00 0.00 175.30 179.19 1ade h GLU 62 N 5.59 0.04 0.00 3.54 4.11 -1.88 -2.89 114.58 123.09 1ade h GLU 62 Ca -0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ade h GLU 62 Cb 1.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ade h GLU 62 CO 0.52 0.36 -0.27 -1.71 0.07 0.00 0.00 179.01 177.98 1ade n ASN 63 N -4.15 0.69 -4.83 3.06 2.85 -1.26 -4.92 115.26 106.71 1ade n ASN 63 Ca -0.02 0.35 -0.38 0.00 -0.11 0.00 0.00 54.58 54.42 1ade n ASN 63 Cb 0.37 -0.35 -0.06 0.00 1.24 0.00 0.00 39.78 40.98 1ade n ASN 63 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1ade s VAL 64 N -3.11 5.06 -0.23 3.44 1.01 -1.09 -4.86 120.40 120.62 1ade s VAL 64 Ca 0.09 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 1ade s VAL 64 Cb 0.13 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1ade s VAL 64 CO 0.65 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 175.40 1ade s THR 65 N -0.94 3.58 -0.09 3.92 2.01 -0.86 -4.87 115.64 118.39 1ade s THR 65 Ca 0.23 -0.42 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 1ade s THR 65 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1ade s THR 65 CO 0.13 0.40 0.49 -0.44 -0.69 0.00 0.00 174.62 174.51 1ade s SER 66 N 1.50 6.74 -0.06 3.53 0.01 0.19 -1.51 113.70 124.10 1ade s SER 66 Ca 0.06 0.88 0.05 0.00 1.31 0.00 0.00 55.95 58.26 1ade s SER 66 Cb -0.14 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1ade s SER 66 CO -0.02 0.03 -0.23 -0.63 0.41 0.00 0.00 173.24 172.81 1ade s ILE 67 N 0.40 1.91 -0.40 1.44 1.01 0.43 -0.73 121.20 125.25 1ade s ILE 67 Ca 0.27 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1ade s ILE 67 Cb -0.16 -1.62 0.07 0.00 0.01 0.00 0.00 42.46 40.76 1ade s ILE 67 CO 0.12 0.53 0.23 -0.63 0.00 0.00 0.00 174.94 175.19 1ade s ILE 68 N -0.05 4.15 0.90 2.92 1.01 -0.65 -1.49 121.20 127.99 1ade s ILE 68 Ca -0.06 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.13 1ade s ILE 68 Cb -0.14 -3.51 0.13 0.00 0.01 0.00 0.00 42.46 38.96 1ade s ILE 68 CO 0.04 -0.45 1.09 -0.83 0.00 0.00 0.00 174.94 174.79 1ade s GLY 69 N 1.96 1.62 0.57 6.18 0.00 0.62 -2.72 107.32 115.55 1ade s GLY 69 Ca 0.02 0.01 0.26 0.00 0.00 0.00 0.00 44.72 45.01 1ade s GLY 69 CO 0.02 0.50 2.15 3.45 0.00 0.00 0.00 173.10 179.22 1ade h ASN 70 N -1.61 0.00 0.33 1.64 -1.07 -1.73 -1.92 115.58 111.23 1ade h ASN 70 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1ade h ASN 70 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1ade h ASN 70 CO 0.53 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.64 1ade n GLY 71 N -1.43 -0.85 3.77 9.14 0.00 0.07 -4.28 105.19 111.61 1ade n GLY 71 Ca -0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1ade n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ade s VAL 72 N -3.04 5.14 -0.20 1.61 1.01 -0.72 -3.96 120.40 120.24 1ade s VAL 72 Ca 0.04 0.83 -0.20 0.00 0.00 0.00 0.00 61.98 62.65 1ade s VAL 72 Cb 0.06 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1ade s VAL 72 CO 0.18 0.44 0.59 0.68 0.00 0.00 0.00 175.10 177.00 1ade s VAL 73 N -0.10 5.05 -0.21 2.92 -7.23 -0.47 -3.85 120.40 116.50 1ade s VAL 73 Ca 0.23 1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 61.43 1ade s VAL 73 Cb -0.15 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 1ade s VAL 73 CO 0.10 0.13 0.08 -0.22 -0.31 0.00 0.00 175.10 174.88 1ade s LEU 74 N 1.85 3.77 -0.38 1.32 0.20 -0.22 -4.36 118.68 120.86 1ade s LEU 74 Ca 0.27 0.00 -0.14 0.00 0.69 0.00 0.00 54.13 54.95 1ade s LEU 74 Cb -0.16 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.63 1ade s LEU 74 CO 0.10 0.09 0.28 -0.55 -0.29 0.00 0.00 176.35 175.98 1ade s SER 75 N 0.86 6.09 0.36 3.68 0.15 -1.26 0.17 113.70 123.74 1ade s SER 75 Ca 0.04 -0.70 0.05 0.00 0.70 0.00 0.00 55.95 56.05 1ade s SER 75 Cb -0.13 -2.15 0.72 0.00 -1.71 0.00 0.00 66.02 62.75 1ade s SER 75 CO 0.03 -0.36 1.96 -0.65 1.20 0.00 0.00 173.24 175.41 1ade h PRO 76 N 8.57 0.75 0.24 5.44 0.11 -1.98 -1.33 132.00 143.81 1ade h PRO 76 Ca -0.29 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1ade h PRO 76 Cb 1.14 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ade h PRO 76 CO 0.69 0.50 -0.12 0.00 -0.21 0.00 0.00 178.00 178.86 1ade h ALA 77 N 1.60 -0.33 -0.57 -0.75 0.00 -1.93 -0.61 119.26 116.68 1ade h ALA 77 Ca 0.31 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ade h ALA 77 Cb 0.23 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1ade h ALA 77 CO -0.10 -0.59 0.28 0.00 0.00 0.00 0.00 179.25 178.83 1ade h ALA 78 N 0.20 0.73 0.40 0.00 0.00 -1.90 -1.35 119.26 117.33 1ade h ALA 78 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ade h ALA 78 Cb 0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ade h ALA 78 CO 0.05 -0.08 -0.33 1.25 0.00 0.00 0.00 179.25 180.14 1ade h LEU 79 N 0.52 -0.87 -0.92 0.00 5.85 -1.14 -1.88 115.31 116.87 1ade h LEU 79 Ca 0.26 0.07 0.16 0.00 0.84 0.00 0.00 57.88 59.21 1ade h LEU 79 Cb 0.20 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 1ade h LEU 79 CO -0.20 -0.48 0.52 0.24 -0.34 0.00 0.00 178.44 178.18 1ade h MET 80 N -0.73 0.69 -0.35 1.25 2.86 -0.70 0.45 114.93 118.40 1ade h MET 80 Ca -0.03 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1ade h MET 80 Cb 0.64 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1ade h MET 80 CO -0.02 0.46 0.22 -0.22 1.06 0.00 0.00 176.91 178.40 1ade h LYS 81 N 0.71 0.48 -0.26 1.72 3.64 -0.87 -2.02 116.57 119.97 1ade h LYS 81 Ca 0.51 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.75 1ade h LYS 81 Cb 0.72 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1ade h LYS 81 CO -0.36 0.35 -0.24 0.93 -2.27 0.00 0.00 179.45 177.86 1ade h GLU 82 N 0.46 0.63 0.20 1.90 5.08 -0.43 -2.81 114.58 119.61 1ade h GLU 82 Ca 0.13 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1ade h GLU 82 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1ade h GLU 82 CO -0.02 0.92 -0.20 0.52 -1.00 0.00 0.00 179.01 179.23 1ade h MET 83 N 0.35 -0.42 -0.15 2.33 2.86 -0.91 -1.42 114.93 117.58 1ade h MET 83 Ca 0.04 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1ade h MET 83 Cb 0.80 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 1ade h MET 83 CO 0.06 -0.28 -0.11 -0.22 1.06 0.00 0.00 176.91 177.42 1ade h LYS 84 N -0.43 -0.12 -0.42 1.72 3.64 -1.44 0.43 116.57 119.96 1ade h LYS 84 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1ade h LYS 84 Cb 0.40 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1ade h LYS 84 CO -0.05 -0.08 -0.00 1.49 -2.27 0.00 0.00 179.45 178.55 1ade h GLU 85 N -0.12 0.10 0.26 1.90 4.81 -1.40 0.51 114.58 120.65 1ade h GLU 85 Ca 0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1ade h GLU 85 Cb 0.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ade h GLU 85 CO -0.22 0.07 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.93 1ade h LEU 86 N 0.11 -0.30 -0.52 1.64 3.38 -0.45 -1.69 115.31 117.48 1ade h LEU 86 Ca 0.21 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1ade h LEU 86 Cb 0.30 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1ade h LEU 86 CO -0.34 -0.17 0.08 -0.33 0.09 0.00 0.00 178.44 177.76 1ade h GLU 87 N -0.40 0.20 -0.47 1.13 5.08 0.56 -0.82 114.58 119.86 1ade h GLU 87 Ca -0.04 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1ade h GLU 87 Cb 0.31 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 1ade h GLU 87 CO 0.06 0.13 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.37 1ade h ASP 88 N 0.21 -1.33 0.00 1.42 3.32 0.52 0.89 116.42 121.45 1ade h ASP 88 Ca 0.26 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1ade h ASP 88 Cb 0.37 0.60 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1ade h ASP 88 CO -0.37 -0.34 0.00 0.54 -1.72 0.00 0.00 179.24 177.35 1ade n ARG 89 N -5.42 0.54 -0.87 3.56 1.74 -0.39 -4.78 116.66 111.04 1ade n ARG 89 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1ade n ARG 89 Cb 0.35 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 1ade n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ade n GLY 90 N 0.11 0.52 3.40 -0.13 0.00 0.31 -4.78 105.19 104.62 1ade n GLY 90 Ca 0.00 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 1ade n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ade s ILE 91 N -2.00 5.20 -0.46 -0.61 -1.09 -0.73 -4.98 121.20 116.54 1ade s ILE 91 Ca 0.00 -0.95 -0.28 0.00 -2.23 0.00 0.00 60.65 57.19 1ade s ILE 91 Cb 0.00 -4.12 -0.29 0.00 -1.58 0.00 0.00 42.46 36.47 1ade s ILE 91 CO 0.00 -0.57 1.79 -0.81 -1.23 0.00 0.00 174.94 174.11 1ade n PRO 92 N 5.30 0.44 -0.11 2.79 -0.04 -1.26 -3.48 135.00 138.63 1ade n PRO 92 Ca -0.12 -1.42 -0.05 0.00 -0.04 0.00 0.00 63.50 61.87 1ade n PRO 92 Cb 0.44 -2.96 0.01 0.00 -0.04 0.00 0.00 33.50 30.95 1ade n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ade h VAL 93 N 5.32 0.63 -0.44 0.52 2.07 -1.91 -2.95 116.25 119.48 1ade h VAL 93 Ca 0.24 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.88 1ade h VAL 93 Cb 0.77 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1ade h VAL 93 CO 1.76 0.00 0.46 0.03 0.02 0.00 0.00 177.57 179.85 1ade h ARG 94 N 0.00 0.00 -0.11 1.57 3.08 -1.92 0.16 114.38 117.16 1ade h ARG 94 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ade h ARG 94 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ade h ARG 94 CO -0.39 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 177.66 1ade n GLU 95 N -3.74 2.19 0.00 0.04 0.28 -1.11 -4.34 120.64 113.96 1ade n GLU 95 Ca 0.08 -1.74 0.01 0.00 -0.16 0.00 0.00 57.16 55.35 1ade n GLU 95 Cb 0.65 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 32.05 1ade n GLU 95 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ade n ARG 96 N 1.06 0.80 -5.22 3.44 1.74 0.02 -5.01 116.66 113.49 1ade n ARG 96 Ca 0.16 -0.49 -0.32 0.00 -0.77 0.00 0.00 57.85 56.43 1ade n ARG 96 Cb 0.53 -0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 30.86 1ade n ARG 96 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1ade s LEU 97 N -0.59 2.14 0.19 0.55 2.96 -1.05 -0.64 118.68 122.25 1ade s LEU 97 Ca 0.02 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1ade s LEU 97 Cb 0.02 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 1ade s LEU 97 CO 0.04 0.25 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.35 1ade s LEU 98 N -0.16 2.46 0.10 -0.68 1.43 0.09 -4.85 118.68 117.06 1ade s LEU 98 Ca -0.03 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.21 1ade s LEU 98 Cb -0.14 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1ade s LEU 98 CO 0.04 0.03 -0.10 -0.76 0.23 0.00 0.00 176.35 175.79 1ade s LEU 99 N -2.79 2.40 0.30 1.79 1.43 -0.26 -1.64 118.68 119.91 1ade s LEU 99 Ca 0.20 -0.81 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 1ade s LEU 99 Cb -0.06 -0.31 -0.07 0.00 0.03 0.00 0.00 46.19 45.78 1ade s LEU 99 CO 0.09 -0.26 0.63 -0.55 0.23 0.00 0.00 176.35 176.49 1ade s SER 100 N -2.43 6.58 0.35 2.29 0.15 -1.10 -1.14 113.70 118.40 1ade s SER 100 Ca 0.05 0.98 0.26 0.00 0.70 0.00 0.00 55.95 57.94 1ade s SER 100 Cb -0.03 -2.25 0.88 0.00 -1.71 0.00 0.00 66.02 62.91 1ade s SER 100 CO 0.00 -0.20 1.77 1.05 1.20 0.00 0.00 173.24 177.07 1ade h GLU 101 N 2.00 0.00 -0.43 5.44 4.11 -1.94 -3.26 114.58 120.50 1ade h GLU 101 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1ade h GLU 101 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ade h GLU 101 CO 0.67 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.75 1ade n ALA 102 N -1.92 2.44 -2.16 1.06 0.00 -1.26 0.36 120.51 119.03 1ade n ALA 102 Ca 0.03 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.19 1ade n ALA 102 Cb 0.37 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1ade n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ade s PRO 104 N 1.13 4.06 -0.08 0.00 0.02 -1.25 -1.75 135.00 137.13 1ade s PRO 104 Ca 0.65 1.92 -0.20 0.00 0.02 0.00 0.00 61.00 63.39 1ade s PRO 104 Cb -0.37 -2.72 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 1ade s PRO 104 CO 0.30 -0.34 0.55 -0.51 -0.33 0.00 0.00 177.00 176.67 1ade s LEU 105 N -2.42 4.31 -0.26 -5.54 1.43 0.91 -1.06 118.68 116.06 1ade s LEU 105 Ca 0.56 0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 1ade s LEU 105 Cb -0.33 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1ade s LEU 105 CO 0.41 -0.00 0.39 -0.63 0.23 0.00 0.00 176.35 176.76 1ade s ILE 106 N 0.49 5.16 0.42 -0.59 1.01 0.13 -4.76 121.20 123.06 1ade s ILE 106 Ca 0.30 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.64 1ade s ILE 106 Cb -0.16 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 1ade s ILE 106 CO 0.13 0.16 0.02 -0.76 0.00 0.00 0.00 174.94 174.49 1ade s LEU 107 N 2.03 2.86 0.42 2.97 1.43 -1.26 -4.20 118.68 122.93 1ade s LEU 107 Ca 0.16 -1.37 0.27 0.00 -1.03 0.00 0.00 54.13 52.15 1ade s LEU 107 Cb -0.16 -0.91 1.35 0.00 0.03 0.00 0.00 46.19 46.50 1ade s LEU 107 CO 0.10 -0.48 1.64 0.44 0.23 0.00 0.00 176.35 178.28 1ade h ASP 108 N 1.73 0.30 1.08 2.29 3.32 -1.98 -0.31 116.42 122.85 1ade h ASP 108 Ca -0.44 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1ade h ASP 108 Cb 1.24 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1ade h ASP 108 CO 0.80 -0.17 -0.28 0.10 -1.72 0.00 0.00 179.24 177.97 1ade h TYR 109 N 0.13 0.00 -0.38 4.55 -0.00 -1.97 -2.41 116.97 116.89 1ade h TYR 109 Ca 0.79 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 59.37 1ade h TYR 109 Cb 2.35 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 39.07 1ade h TYR 109 CO -0.01 0.28 -0.35 0.45 -0.00 0.00 0.00 178.16 178.53 1ade h HIS 110 N 0.00 1.06 0.17 0.10 3.86 -1.40 -1.73 115.15 117.21 1ade h HIS 110 Ca -0.00 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 1ade h HIS 110 Cb 0.90 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1ade h HIS 110 CO 0.00 1.11 -0.08 0.28 0.86 0.00 0.00 177.93 180.10 1ade h VAL 111 N 0.74 0.93 -0.43 2.45 2.07 -1.54 -1.58 116.25 118.90 1ade h VAL 111 Ca 0.07 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1ade h VAL 111 Cb 0.93 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 1ade h VAL 111 CO 0.09 0.11 -0.07 0.00 0.02 0.00 0.00 177.57 177.72 1ade h ALA 112 N 0.33 0.32 -0.18 1.67 0.00 -1.40 -0.06 119.26 119.95 1ade h ALA 112 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ade h ALA 112 Cb 0.35 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ade h ALA 112 CO 0.04 -0.43 0.04 1.25 0.00 0.00 0.00 179.25 180.15 1ade h LEU 113 N 0.03 0.02 -0.60 0.00 5.85 -1.30 0.36 115.31 119.68 1ade h LEU 113 Ca 0.21 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1ade h LEU 113 Cb 0.32 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1ade h LEU 113 CO -0.41 0.04 0.31 -0.78 -0.34 0.00 0.00 178.44 177.26 1ade h ASP 114 N 0.12 0.44 0.03 1.25 3.58 -0.89 -0.89 116.42 120.05 1ade h ASP 114 Ca 0.08 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ade h ASP 114 Cb 0.07 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1ade h ASP 114 CO -0.10 0.29 -0.01 0.78 -2.88 0.00 0.00 179.24 177.32 1ade h ASN 115 N 0.58 -0.04 -0.89 2.28 2.35 -0.39 -2.49 115.58 116.99 1ade h ASN 115 Ca 0.27 -0.18 0.18 0.00 -0.55 0.00 0.00 56.30 56.02 1ade h ASN 115 Cb 0.19 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.46 1ade h ASN 115 CO -0.19 0.16 0.44 0.00 -1.65 0.00 0.00 177.43 176.20 1ade h ALA 116 N 0.73 1.40 -0.63 -0.83 0.00 0.10 0.12 119.26 120.15 1ade h ALA 116 Ca -0.00 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ade h ALA 116 Cb 0.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ade h ALA 116 CO 0.01 -0.20 0.12 0.00 0.00 0.00 0.00 179.25 179.18 1ade h ARG 117 N 0.54 1.03 -0.05 0.00 3.08 -1.01 -0.12 114.38 117.86 1ade h ARG 117 Ca 0.52 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ade h ARG 117 Cb 0.87 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1ade h ARG 117 CO -0.44 0.95 0.01 1.49 -1.07 0.00 0.00 179.97 180.92 1ade h GLU 118 N 0.95 0.07 -0.33 0.04 4.57 -0.52 -2.60 114.58 116.75 1ade h GLU 118 Ca 0.19 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1ade h GLU 118 Cb 0.41 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.92 1ade h GLU 118 CO 0.01 0.24 -0.14 0.87 -1.18 0.00 0.00 179.01 178.81 1ade h LYS 119 N -0.12 -0.08 0.00 1.92 1.57 -0.72 0.41 116.57 119.55 1ade h LYS 119 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ade h LYS 119 Cb 0.20 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ade h LYS 119 CO -0.00 -0.05 0.05 0.00 -0.57 0.00 0.00 179.45 178.88 1ade h ALA 120 N 1.19 1.04 0.00 3.86 0.00 -0.81 -3.13 119.26 121.41 1ade h ALA 120 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1ade h ALA 120 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ade h ALA 120 CO -0.39 -0.04 -1.67 0.54 0.00 0.00 0.00 179.25 177.69 1ade n ARG 121 N -2.36 0.28 0.00 0.00 1.74 -0.04 -5.08 116.66 111.20 1ade n ARG 121 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ade n ARG 121 Cb 0.09 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1ade n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ade n GLY 122 N 2.72 2.08 3.37 -0.13 0.00 0.13 -5.10 105.19 108.25 1ade n GLY 122 Ca -0.22 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 1ade n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ade s ALA 123 N -0.68 3.45 -0.22 4.61 0.00 -1.26 -4.47 121.76 123.18 1ade s ALA 123 Ca 0.00 -2.24 0.03 0.00 0.00 0.00 0.00 51.96 49.75 1ade s ALA 123 Cb 0.00 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 19.77 1ade s ALA 123 CO 0.00 -2.28 0.97 1.17 0.00 0.00 0.00 175.76 175.63 1ade n LYS 124 N 6.16 0.40 -3.27 0.00 3.00 -1.26 -5.12 118.16 118.07 1ade n LYS 124 Ca -0.10 -0.65 -0.01 0.00 -0.00 0.00 0.00 58.31 57.55 1ade n LYS 124 Cb 0.42 0.06 -0.04 0.00 0.00 0.00 0.00 35.03 35.47 1ade n LYS 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ade s ALA 125 N 0.05 -1.87 -1.05 3.14 0.00 -1.26 -5.06 121.76 115.71 1ade s ALA 125 Ca 0.05 1.62 -0.19 0.00 0.00 0.00 0.00 51.96 53.43 1ade s ALA 125 Cb 0.13 -1.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1ade s ALA 125 CO -0.03 -1.25 2.02 1.51 0.00 0.00 0.00 175.76 178.01 1ade n ILE 126 N 5.41 2.47 -1.51 0.00 3.06 -1.26 -4.90 119.36 122.63 1ade n ILE 126 Ca -0.03 -2.20 -0.43 0.00 -2.50 0.00 0.00 62.75 57.59 1ade n ILE 126 Cb 0.51 -2.41 -0.06 0.00 0.54 0.00 0.00 39.64 38.21 1ade n ILE 126 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ade n GLY 127 N 4.49 0.27 0.00 4.50 0.00 -1.26 -4.65 105.19 108.54 1ade n GLY 127 Ca 0.50 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.37 1ade n GLY 127 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ade n THR 128 N 7.63 0.00 -3.96 2.61 -2.24 -1.26 -4.98 114.28 112.07 1ade n THR 128 Ca 0.43 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.86 1ade n THR 128 Cb 0.34 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.25 1ade n THR 128 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ade s THR 129 N -1.41 4.51 -0.01 4.28 2.01 -1.26 -4.49 115.64 119.27 1ade s THR 129 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1ade s THR 129 Cb 0.00 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1ade s THR 129 CO 0.00 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1ade n GLY 130 N 4.08 0.48 3.74 4.40 0.00 -1.26 -5.01 105.19 111.62 1ade n GLY 130 Ca -0.16 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1ade n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ade s ARG 131 N -0.38 4.24 0.00 1.61 1.81 -1.26 -2.73 118.95 122.23 1ade s ARG 131 Ca 0.00 2.36 0.00 0.00 -1.72 0.00 0.00 55.73 56.37 1ade s ARG 131 Cb 0.00 -3.10 0.00 0.00 -0.45 0.00 0.00 34.95 31.40 1ade s ARG 131 CO 0.00 -0.47 0.00 0.41 -0.68 0.00 0.00 175.30 174.56 1ade n GLY 132 N 2.28 2.76 0.11 -3.53 0.00 -1.26 -4.70 105.19 100.85 1ade n GLY 132 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1ade n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ade h ILE 133 N 0.00 0.81 0.30 -0.61 2.04 -1.85 -2.28 117.51 115.93 1ade h ILE 133 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ade h ILE 133 Cb 0.00 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1ade h ILE 133 CO 0.00 0.00 -0.25 1.23 0.00 0.00 0.00 178.15 179.13 1ade h GLY 134 N -0.06 -0.59 1.46 5.37 0.00 -1.92 -2.41 103.07 104.92 1ade h GLY 134 Ca 0.06 0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.75 1ade h GLY 134 CO -0.13 -0.24 0.19 -2.55 0.00 0.00 0.00 176.54 173.81 1ade h PRO 135 N -0.57 0.00 -0.33 4.80 0.11 -1.83 -0.78 132.00 133.40 1ade h PRO 135 Ca -0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1ade h PRO 135 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1ade h PRO 135 CO -0.02 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 177.70 1ade h ALA 136 N 1.86 0.45 -0.78 -0.75 0.00 -1.09 -1.93 119.26 117.02 1ade h ALA 136 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ade h ALA 136 Cb 0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ade h ALA 136 CO -0.00 0.28 0.46 1.88 0.00 0.00 0.00 179.25 181.86 1ade h TYR 137 N 0.41 1.03 0.61 0.00 0.05 -0.68 -2.26 116.97 116.13 1ade h TYR 137 Ca 0.09 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1ade h TYR 137 Cb 0.55 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1ade h TYR 137 CO 0.05 0.69 -0.36 0.93 -1.05 0.00 0.00 178.16 178.42 1ade h GLU 138 N 1.07 -0.89 -0.99 4.88 5.08 -1.11 -0.80 114.58 121.82 1ade h GLU 138 Ca 0.28 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 1ade h GLU 138 Cb -0.03 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 1ade h GLU 138 CO -0.05 -0.59 0.63 -0.44 -1.00 0.00 0.00 179.01 177.56 1ade h ASP 139 N -0.92 0.91 0.32 1.42 3.32 -1.26 0.26 116.42 120.48 1ade h ASP 139 Ca -0.08 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1ade h ASP 139 Cb 0.74 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1ade h ASP 139 CO 0.08 0.49 -0.16 0.50 -1.72 0.00 0.00 179.24 178.43 1ade h LYS 140 N 0.98 -0.42 0.00 3.56 3.64 -1.16 0.27 116.57 123.43 1ade h LYS 140 Ca 0.49 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.86 1ade h LYS 140 Cb 0.50 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1ade h LYS 140 CO -0.26 -0.24 -0.17 -0.39 -2.27 0.00 0.00 179.45 176.12 1ade h VAL 141 N -0.49 0.99 -0.00 2.00 -1.51 -0.51 -0.36 116.25 116.36 1ade h VAL 141 Ca -0.04 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1ade h VAL 141 Cb 0.37 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1ade h VAL 141 CO 0.07 0.17 -0.03 0.00 -1.23 0.00 0.00 177.57 176.55 1ade n ALA 142 N -2.45 2.65 -2.01 5.19 0.00 0.02 -4.90 120.51 119.01 1ade n ALA 142 Ca -0.02 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.01 1ade n ALA 142 Cb 0.25 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1ade n ALA 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ade n ARG 143 N -0.95 -1.38 -0.09 0.00 1.74 -0.15 -4.86 116.66 110.98 1ade n ARG 143 Ca 0.19 0.99 0.03 0.00 -0.77 0.00 0.00 57.85 58.29 1ade n ARG 143 Cb 0.21 -5.40 0.08 0.00 -1.02 0.00 0.00 32.46 26.32 1ade n ARG 143 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1ade n ARG 144 N -2.63 2.70 -2.01 5.56 1.85 -0.08 -5.02 116.66 117.03 1ade n ARG 144 Ca -0.20 -1.89 -0.16 0.00 -1.00 0.00 0.00 57.85 54.60 1ade n ARG 144 Cb 0.64 -1.20 0.08 0.00 -1.05 0.00 0.00 32.46 30.92 1ade n ARG 144 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ade n GLY 145 N -0.40 0.83 3.48 2.89 0.00 -1.02 -4.81 105.19 106.16 1ade n GLY 145 Ca 0.07 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 1ade n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ade s LEU 146 N 0.00 2.71 0.23 0.99 1.43 -1.26 -4.98 118.68 117.80 1ade s LEU 146 Ca 0.45 -0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1ade s LEU 146 Cb -0.03 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 1ade s LEU 146 CO 0.30 0.31 -0.18 -0.13 0.23 0.00 0.00 176.35 176.88 1ade s ARG 147 N -1.05 1.48 0.27 1.70 0.52 -1.26 -0.06 118.95 120.55 1ade s ARG 147 Ca 0.13 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 1ade s ARG 147 Cb -0.11 -1.47 0.59 0.00 0.52 0.00 0.00 34.95 34.49 1ade s ARG 147 CO 0.03 0.27 1.72 0.28 0.02 0.00 0.00 175.30 177.62 1ade h VAL 148 N 2.59 0.60 -0.84 3.52 2.07 -1.17 0.52 116.25 123.53 1ade h VAL 148 Ca -0.40 -0.16 0.23 0.00 0.82 0.00 0.00 66.70 67.19 1ade h VAL 148 Cb 1.23 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1ade h VAL 148 CO 0.59 0.09 0.59 1.23 0.02 0.00 0.00 177.57 180.09 1ade h GLY 149 N 0.47 0.21 2.00 2.17 0.00 -0.38 0.16 103.07 107.70 1ade h GLY 149 Ca 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1ade h GLY 149 CO -0.45 -0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.54 1ade h ASP 150 N 0.10 0.00 0.26 0.19 3.32 -0.21 -2.87 116.42 117.20 1ade h ASP 150 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1ade h ASP 150 Cb 1.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1ade h ASP 150 CO -0.05 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.65 1ade n LEU 151 N -2.76 0.00 -0.02 1.55 4.77 0.57 -3.34 117.00 117.77 1ade n LEU 151 Ca -0.00 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 1ade n LEU 151 Cb 0.18 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1ade n LEU 151 CO 0.21 -0.04 0.38 -0.26 -1.33 0.00 0.00 177.39 176.34 1ade h PHE 152 N 0.00 0.54 -3.29 -1.77 0.04 -1.69 -3.40 116.94 107.36 1ade h PHE 152 Ca 0.00 -0.25 -0.76 0.00 2.80 0.00 0.00 57.97 59.76 1ade h PHE 152 Cb 0.13 -0.08 -0.25 0.00 2.20 0.00 0.00 35.95 37.95 1ade h PHE 152 CO 0.00 1.02 -0.18 0.34 -0.60 0.00 0.00 178.31 178.90 1ade s ASP 153 N -6.53 6.23 0.13 2.17 2.15 -1.21 -4.97 116.67 114.63 1ade s ASP 153 Ca -0.14 -2.03 -0.25 0.00 0.43 0.00 0.00 52.55 50.56 1ade s ASP 153 Cb 0.04 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.45 1ade s ASP 153 CO 0.80 -0.76 1.64 0.11 -0.17 0.00 0.00 175.17 176.78 1ade h LYS 154 N 8.54 -0.34 -0.05 4.34 6.56 -1.82 -1.57 116.57 132.24 1ade h LYS 154 Ca -0.19 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.44 1ade h LYS 154 Cb 1.08 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.78 1ade h LYS 154 CO 0.95 -0.23 -0.28 1.49 -2.06 0.00 0.00 179.45 179.32 1ade h GLU 155 N -0.35 -0.30 -0.76 3.15 4.81 -1.96 -1.95 114.58 117.22 1ade h GLU 155 Ca 0.08 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.48 1ade h GLU 155 Cb 0.46 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.81 1ade h GLU 155 CO -0.26 -0.20 0.28 1.15 -0.73 0.00 0.00 179.01 179.25 1ade h THR 156 N -0.31 0.60 -0.22 0.32 2.02 -1.94 -1.60 112.91 111.78 1ade h THR 156 Ca 0.01 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1ade h THR 156 Cb 0.35 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1ade h THR 156 CO -0.22 0.07 -0.13 0.15 0.37 0.00 0.00 175.52 175.77 1ade h PHE 157 N 0.40 -0.32 -0.75 3.16 3.57 -0.88 -0.91 116.94 121.21 1ade h PHE 157 Ca 0.43 0.03 0.09 0.00 3.53 0.00 0.00 57.97 62.05 1ade h PHE 157 Cb 0.69 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 1ade h PHE 157 CO -0.19 -0.20 0.39 0.00 -2.23 0.00 0.00 178.31 176.09 1ade h ALA 158 N 1.05 1.04 -0.32 2.41 0.00 -0.53 0.29 119.26 123.20 1ade h ALA 158 Ca 0.12 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1ade h ALA 158 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ade h ALA 158 CO -0.29 -0.00 -0.30 1.49 0.00 0.00 0.00 179.25 180.14 1ade h GLU 159 N 0.66 0.77 -0.39 0.00 4.57 -1.23 -1.81 114.58 117.14 1ade h GLU 159 Ca 0.37 -0.40 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1ade h GLU 159 Cb 0.37 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1ade h GLU 159 CO -0.26 1.03 0.25 0.87 -1.18 0.00 0.00 179.01 179.71 1ade h LYS 160 N 0.54 0.50 -0.77 1.92 1.57 -0.50 -1.11 116.57 118.71 1ade h LYS 160 Ca 0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1ade h LYS 160 Cb 0.88 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1ade h LYS 160 CO 0.08 0.33 0.30 1.25 -0.57 0.00 0.00 179.45 180.83 1ade h LEU 161 N 0.51 1.07 -0.53 2.94 5.85 -0.44 -2.42 115.31 122.28 1ade h LEU 161 Ca 0.14 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ade h LEU 161 Cb -0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1ade h LEU 161 CO -0.04 0.95 0.33 0.50 -0.34 0.00 0.00 178.44 179.84 1ade h LYS 162 N 1.12 0.71 -0.12 1.25 3.64 -0.75 -0.24 116.57 122.18 1ade h LYS 162 Ca 0.26 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1ade h LYS 162 Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1ade h LYS 162 CO -0.02 0.49 0.06 0.93 -2.27 0.00 0.00 179.45 178.64 1ade h GLU 163 N 0.71 0.18 -0.08 1.90 5.08 -0.85 -2.32 114.58 119.19 1ade h GLU 163 Ca 0.19 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1ade h GLU 163 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1ade h GLU 163 CO -0.04 0.24 -0.54 -0.24 -1.00 0.00 0.00 179.01 177.44 1ade h VAL 164 N 0.07 1.36 -0.12 3.13 3.04 -1.24 -2.71 116.25 119.78 1ade h VAL 164 Ca 0.04 -1.83 -0.11 0.00 -1.01 0.00 0.00 66.70 63.80 1ade h VAL 164 Cb 0.13 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1ade h VAL 164 CO -0.00 0.54 -0.40 0.24 -1.01 0.00 0.00 177.57 176.94 1ade h MET 165 N 0.19 0.25 -0.18 4.17 2.86 -1.02 -1.30 114.93 119.91 1ade h MET 165 Ca 0.00 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1ade h MET 165 Cb 1.01 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1ade h MET 165 CO 0.08 0.62 0.10 1.49 1.06 0.00 0.00 176.91 180.26 1ade h GLU 166 N 0.22 0.20 0.22 1.72 4.81 -1.21 -0.11 114.58 120.43 1ade h GLU 166 Ca 0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1ade h GLU 166 Cb 0.80 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1ade h GLU 166 CO 0.06 0.13 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.45 1ade h TYR 167 N 0.20 -0.28 -0.62 0.92 3.20 -1.20 -2.82 116.97 116.37 1ade h TYR 167 Ca 0.07 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1ade h TYR 167 Cb 0.00 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1ade h TYR 167 CO -0.09 -0.06 0.09 0.45 -1.64 0.00 0.00 178.16 176.91 1ade h HIS 168 N -0.44 1.11 -0.72 -3.82 3.86 -1.13 -2.88 115.15 111.12 1ade h HIS 168 Ca -0.03 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1ade h HIS 168 Cb 0.34 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 1ade h HIS 168 CO -0.02 0.95 0.45 -0.91 0.86 0.00 0.00 177.93 179.26 1ade h ASN 169 N 0.95 0.85 -0.58 2.45 2.35 -1.06 0.91 115.58 121.45 1ade h ASN 169 Ca 0.19 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 1ade h ASN 169 Cb 0.45 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1ade h ASN 169 CO 0.01 0.65 0.27 0.15 -1.65 0.00 0.00 177.43 176.86 1ade h PHE 170 N 0.99 0.48 0.85 1.19 3.04 -1.28 0.06 116.94 122.26 1ade h PHE 170 Ca 0.26 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.19 1ade h PHE 170 Cb -0.06 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 38.33 1ade h PHE 170 CO 0.00 0.19 -0.41 1.96 -2.02 0.00 0.00 178.31 178.04 1ade h GLN 171 N 0.50 -1.10 -0.79 1.11 4.20 -1.17 -0.31 115.11 117.55 1ade h GLN 171 Ca 0.27 0.07 0.10 0.00 0.06 0.00 0.00 58.65 59.15 1ade h GLN 171 Cb 0.25 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.16 1ade h GLN 171 CO -0.22 -0.72 -0.50 -0.07 -0.67 0.00 0.00 178.83 176.65 1ade h LEU 172 N -1.24 -1.77 0.00 1.46 3.38 -0.45 0.67 115.31 117.37 1ade h LEU 172 Ca -0.12 0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ade h LEU 172 Cb 0.88 0.80 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1ade h LEU 172 CO 0.19 -0.30 -0.03 -0.37 0.09 0.00 0.00 178.44 178.02 1ade h VAL 173 N -0.13 1.73 -0.05 1.22 -1.51 -1.04 0.40 116.25 116.88 1ade h VAL 173 Ca 0.19 -2.31 -0.12 0.00 -1.23 0.00 0.00 66.70 63.22 1ade h VAL 173 Cb 0.52 3.29 0.01 0.00 -2.13 0.00 0.00 31.29 32.98 1ade h VAL 173 CO -0.82 0.59 -0.45 0.78 -1.23 0.00 0.00 177.57 176.43 1ade h ASN 174 N -1.00 0.48 0.00 4.19 2.35 -1.05 -1.52 115.58 119.02 1ade h ASN 174 Ca -0.01 -0.70 -0.02 0.00 -0.55 0.00 0.00 56.30 55.02 1ade h ASN 174 Cb 0.98 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1ade h ASN 174 CO -0.01 1.11 -0.22 0.22 -1.65 0.00 0.00 177.43 176.88 1ade h TYR 175 N -0.11 0.00 0.00 1.19 3.20 -1.02 -3.38 116.97 116.85 1ade h TYR 175 Ca -0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1ade h TYR 175 Cb 1.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1ade h TYR 175 CO 0.14 0.35 -0.17 1.88 -1.64 0.00 0.00 178.16 178.72 1ade h TYR 176 N -1.00 0.00 -3.07 -3.82 0.05 -0.82 -3.47 116.97 104.83 1ade h TYR 176 Ca -0.03 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.40 1ade h TYR 176 Cb 0.44 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.19 1ade h TYR 176 CO 0.02 0.00 -0.48 1.63 -1.05 0.00 0.00 178.16 178.28 1ade n LYS 177 N -2.77 -2.53 -2.23 4.88 5.02 0.58 -4.95 118.16 116.16 1ade n LYS 177 Ca 0.04 0.83 -0.11 0.00 -2.02 0.00 0.00 58.31 57.05 1ade n LYS 177 Cb 0.50 -5.36 0.03 0.00 -0.02 0.00 0.00 35.03 30.18 1ade n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ade n ALA 178 N -2.44 0.62 -1.97 7.82 0.00 0.11 -4.93 120.51 119.73 1ade n ALA 178 Ca -0.17 -1.15 -0.34 0.00 0.00 0.00 0.00 53.44 51.79 1ade n ALA 178 Cb 0.64 0.35 -0.06 0.00 0.00 0.00 0.00 19.45 20.38 1ade n ALA 178 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ade s GLU 179 N -3.37 4.20 0.39 0.00 1.03 -1.26 -3.61 118.70 116.08 1ade s GLU 179 Ca 0.29 0.95 -0.11 0.00 0.03 0.00 0.00 54.97 56.13 1ade s GLU 179 Cb -0.02 -2.44 -0.07 0.00 -0.80 0.00 0.00 34.13 30.80 1ade s GLU 179 CO 0.18 0.13 0.77 0.00 -1.33 0.00 0.00 175.26 175.02 1ade s ALA 180 N -1.95 3.34 -0.08 -0.84 0.00 -1.26 -4.72 121.76 116.25 1ade s ALA 180 Ca 0.55 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1ade s ALA 180 Cb -0.12 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 1ade s ALA 180 CO 0.17 0.04 0.34 0.08 0.00 0.00 0.00 175.76 176.39 1ade s VAL 181 N -2.31 5.20 0.09 0.00 1.01 -1.26 -5.05 120.40 118.08 1ade s VAL 181 Ca 0.52 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 1ade s VAL 181 Cb -0.10 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1ade s VAL 181 CO 0.29 0.51 1.16 -0.62 0.00 0.00 0.00 175.10 176.43 1ade s ASP 182 N -0.47 7.15 0.03 3.32 2.15 -1.26 -4.96 116.67 122.63 1ade s ASP 182 Ca 0.21 2.02 -0.24 0.00 0.43 0.00 0.00 52.55 54.96 1ade s ASP 182 Cb -0.15 -2.59 -0.13 0.00 -0.30 0.00 0.00 42.92 39.75 1ade s ASP 182 CO 0.09 -0.38 1.26 0.22 -0.17 0.00 0.00 175.17 176.19 1ade h TYR 183 N 6.27 -0.81 -0.95 -5.34 3.20 -1.99 -2.84 116.97 114.52 1ade h TYR 183 Ca -0.42 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 61.69 1ade h TYR 183 Cb 1.21 0.27 -0.14 0.00 1.54 0.00 0.00 36.73 39.61 1ade h TYR 183 CO 0.66 -0.50 0.44 1.96 -1.64 0.00 0.00 178.16 179.07 1ade h GLN 184 N -0.94 0.33 0.84 1.82 1.08 -1.98 0.15 115.11 116.41 1ade h GLN 184 Ca -0.09 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 1ade h GLN 184 Cb 0.67 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1ade h GLN 184 CO 0.15 0.22 -0.41 -0.22 -0.95 0.00 0.00 178.83 177.61 1ade h LYS 185 N 0.34 -1.10 -0.66 1.46 3.64 -1.96 -0.39 116.57 117.90 1ade h LYS 185 Ca 0.63 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 60.15 1ade h LYS 185 Cb 1.33 0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 33.34 1ade h LYS 185 CO -0.59 -0.73 0.36 0.28 -2.27 0.00 0.00 179.45 176.50 1ade h VAL 186 N -1.14 0.94 -0.35 2.00 2.07 -0.66 0.47 116.25 119.58 1ade h VAL 186 Ca -0.11 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1ade h VAL 186 Cb 0.88 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1ade h VAL 186 CO 0.18 0.12 0.21 0.25 0.02 0.00 0.00 177.57 178.35 1ade h LEU 187 N 0.65 0.35 -0.09 2.57 5.85 -0.75 0.72 115.31 124.62 1ade h LEU 187 Ca 0.30 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1ade h LEU 187 Cb 0.22 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1ade h LEU 187 CO -0.20 0.25 -0.01 0.44 -0.34 0.00 0.00 178.44 178.58 1ade h ASP 188 N 0.43 0.17 -0.77 1.25 3.32 -0.36 -1.02 116.42 119.45 1ade h ASP 188 Ca 0.14 -0.34 0.12 0.00 0.02 0.00 0.00 57.03 56.96 1ade h ASP 188 Cb -0.01 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.41 1ade h ASP 188 CO -0.05 0.48 0.38 0.44 -1.72 0.00 0.00 179.24 178.76 1ade h ASP 189 N -0.13 0.47 1.42 6.45 3.32 0.14 0.90 116.42 128.99 1ade h ASP 189 Ca 0.03 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1ade h ASP 189 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ade h ASP 189 CO 0.01 0.24 -0.03 0.74 -1.72 0.00 0.00 179.24 178.47 1ade h THR 190 N 0.60 0.06 0.09 0.35 2.02 -0.72 -3.12 112.91 112.19 1ade h THR 190 Ca 0.40 -0.80 -0.26 0.00 0.77 0.00 0.00 66.41 66.52 1ade h THR 190 Cb 0.50 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1ade h THR 190 CO -0.32 0.03 -1.26 0.24 0.37 0.00 0.00 175.52 174.58 1ade h MET 191 N 0.00 0.19 -0.33 6.66 2.86 0.52 -2.43 114.93 122.39 1ade h MET 191 Ca -0.00 -0.32 0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1ade h MET 191 Cb 0.75 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1ade h MET 191 CO 0.00 1.11 0.23 0.00 1.06 0.00 0.00 176.91 179.32 1ade h ALA 192 N 0.69 2.19 0.00 6.32 0.00 -1.19 -2.91 119.26 124.36 1ade h ALA 192 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ade h ALA 192 Cb 1.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1ade h ALA 192 CO 0.17 -0.27 -0.64 1.33 0.00 0.00 0.00 179.25 179.84 1ade n VAL 193 N -4.46 0.00 -0.32 0.00 0.24 -1.23 -4.77 118.33 107.79 1ade n VAL 193 Ca 0.05 -0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.26 1ade n VAL 193 Cb 0.34 0.96 0.25 0.00 -1.47 0.00 0.00 33.84 33.93 1ade n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ade h ALA 194 N 1.75 1.06 0.00 2.33 0.00 -1.22 0.67 119.26 123.85 1ade h ALA 194 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 1ade h ALA 194 Cb 0.31 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1ade h ALA 194 CO 0.00 -0.52 -0.70 -0.44 0.00 0.00 0.00 179.25 177.59 1ade h ASP 195 N 0.04 0.00 -0.48 0.00 3.32 -1.86 -2.18 116.42 115.26 1ade h ASP 195 Ca 0.55 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.55 1ade h ASP 195 Cb 1.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1ade h ASP 195 CO -0.85 0.70 0.10 0.40 -1.72 0.00 0.00 179.24 177.87 1ade h ILE 196 N 0.00 1.24 0.47 0.35 2.04 -1.22 -2.82 117.51 117.58 1ade h ILE 196 Ca -0.01 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1ade h ILE 196 Cb 1.41 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1ade h ILE 196 CO 0.09 0.31 -0.22 -0.07 0.00 0.00 0.00 178.15 178.26 1ade h LEU 197 N 0.66 -0.53 -2.55 1.44 3.38 -1.25 -3.28 115.31 113.17 1ade h LEU 197 Ca 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ade h LEU 197 Cb 0.35 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ade h LEU 197 CO 0.00 -0.14 -0.02 0.71 0.09 0.00 0.00 178.44 179.09 1ade h THR 198 N -1.01 0.19 0.00 0.22 1.35 -1.48 -1.41 112.91 110.78 1ade h THR 198 Ca -0.06 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1ade h THR 198 Cb 0.58 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1ade h THR 198 CO 0.11 0.02 0.00 0.77 -0.25 0.00 0.00 175.52 176.16 1ade h SER 199 N 0.00 0.00 -0.04 5.36 4.64 -1.55 -2.86 113.55 119.10 1ade h SER 199 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ade h SER 199 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ade h SER 199 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 1ade n MET 200 N -2.87 2.25 -2.41 4.77 2.81 -0.53 -4.96 117.12 116.16 1ade n MET 200 Ca 0.01 -1.81 -0.41 0.00 -1.81 0.00 0.00 57.70 53.68 1ade n MET 200 Cb 0.31 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 1ade n MET 200 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ade s VAL 201 N -1.99 3.55 0.14 2.03 1.01 -1.08 -1.10 120.40 122.95 1ade s VAL 201 Ca 0.30 1.39 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 1ade s VAL 201 Cb 0.20 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1ade s VAL 201 CO 0.30 0.26 0.22 0.54 0.00 0.00 0.00 175.10 176.43 1ade s VAL 202 N -0.46 0.09 -1.15 2.92 0.11 -0.29 -4.86 120.40 116.76 1ade s VAL 202 Ca 0.50 -1.41 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 1ade s VAL 202 Cb -0.32 -1.73 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 1ade s VAL 202 CO 0.38 -0.43 1.68 -0.62 -3.33 0.00 0.00 175.10 172.78 1ade s ASP 203 N -2.95 6.35 0.21 3.54 -1.08 -1.26 -4.51 116.67 116.97 1ade s ASP 203 Ca 0.15 -1.83 -0.10 0.00 -0.52 0.00 0.00 52.55 50.24 1ade s ASP 203 Cb 0.04 -2.58 0.26 0.00 -1.46 0.00 0.00 42.92 39.19 1ade s ASP 203 CO -0.03 -1.66 1.75 0.58 0.52 0.00 0.00 175.17 176.33 1ade h VAL 204 N 6.24 0.80 -0.35 1.11 2.07 -1.92 -1.41 116.25 122.79 1ade h VAL 204 Ca 0.30 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1ade h VAL 204 Cb 0.94 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1ade h VAL 204 CO 1.40 0.08 0.22 0.28 0.02 0.00 0.00 177.57 179.56 1ade h SER 205 N 0.44 0.36 -0.44 0.57 0.02 -1.87 -0.22 113.55 112.41 1ade h SER 205 Ca 0.30 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1ade h SER 205 Cb 0.34 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ade h SER 205 CO -0.28 0.26 0.11 -0.78 -1.14 0.00 0.00 176.83 175.00 1ade h ASP 206 N 0.44 0.66 -0.25 3.07 3.58 -1.87 -1.95 116.42 120.11 1ade h ASP 206 Ca 0.13 -0.23 0.04 0.00 0.42 0.00 0.00 57.03 57.39 1ade h ASP 206 Cb -0.03 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 1ade h ASP 206 CO -0.05 0.72 -0.00 0.25 -2.88 0.00 0.00 179.24 177.28 1ade h LEU 207 N 0.57 -0.10 -0.95 2.28 5.85 -0.90 0.23 115.31 122.28 1ade h LEU 207 Ca 0.14 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1ade h LEU 207 Cb 0.32 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ade h LEU 207 CO 0.00 -0.02 0.08 -0.07 -0.34 0.00 0.00 178.44 178.08 1ade h LEU 208 N 0.07 0.80 -0.52 2.25 3.38 -0.95 -0.31 115.31 120.03 1ade h LEU 208 Ca 0.12 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1ade h LEU 208 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ade h LEU 208 CO -0.20 0.82 -0.04 -0.78 0.09 0.00 0.00 178.44 178.34 1ade h ASP 209 N 0.80 0.93 -0.37 -0.43 3.58 -0.53 0.30 116.42 120.71 1ade h ASP 209 Ca 0.17 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1ade h ASP 209 Cb 0.37 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1ade h ASP 209 CO 0.01 1.03 0.23 1.56 -2.88 0.00 0.00 179.24 179.20 1ade h GLN 210 N 0.81 0.50 -0.76 0.28 1.08 -0.20 -1.86 115.11 114.97 1ade h GLN 210 Ca 0.14 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1ade h GLN 210 Cb 0.58 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.86 1ade h GLN 210 CO 0.03 0.36 0.46 0.00 -0.95 0.00 0.00 178.83 178.73 1ade h ALA 211 N 1.11 0.96 0.18 3.87 0.00 -0.85 -1.82 119.26 122.72 1ade h ALA 211 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ade h ALA 211 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1ade h ALA 211 CO -0.03 0.42 -0.25 -0.09 0.00 0.00 0.00 179.25 179.31 1ade h ARG 212 N 1.03 -0.47 0.00 0.00 2.43 -0.56 0.69 114.38 117.50 1ade h ARG 212 Ca 0.27 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1ade h ARG 212 Cb -0.05 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1ade h ARG 212 CO -0.05 -0.31 0.00 -0.56 -1.51 0.00 0.00 179.97 177.53 1ade h GLN 213 N -0.49 0.00 0.00 0.20 3.07 -1.19 -1.81 115.11 114.89 1ade h GLN 213 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1ade h GLN 213 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1ade h GLN 213 CO -0.10 0.00 -0.25 -0.09 0.09 0.00 0.00 178.83 178.48 1ade h ARG 214 N 0.00 0.00 0.00 0.06 2.43 -1.06 -3.48 114.38 112.33 1ade h ARG 214 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ade h ARG 214 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ade h ARG 214 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1ade n GLY 215 N 1.13 0.54 3.79 2.80 0.00 0.13 -5.05 105.19 108.53 1ade n GLY 215 Ca 0.03 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1ade n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ade s ASP 216 N -2.78 6.04 -0.04 1.61 1.01 -0.56 -5.00 116.67 116.95 1ade s ASP 216 Ca 0.00 1.96 -0.29 0.00 0.71 0.00 0.00 52.55 54.92 1ade s ASP 216 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1ade s ASP 216 CO 0.00 -0.99 0.97 -0.36 0.21 0.00 0.00 175.17 175.00 1ade s PHE 217 N -2.06 3.60 -0.06 4.23 0.08 -1.26 -4.71 117.98 117.80 1ade s PHE 217 Ca 0.68 1.63 0.03 0.00 0.12 0.00 0.00 56.93 59.38 1ade s PHE 217 Cb -0.18 -3.12 0.01 0.00 -0.57 0.00 0.00 43.02 39.15 1ade s PHE 217 CO 0.26 -0.09 -0.13 0.08 -0.10 0.00 0.00 175.22 175.24 1ade s VAL 218 N 1.38 1.20 -0.08 -0.44 1.01 -0.90 0.69 120.40 123.25 1ade s VAL 218 Ca 0.50 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1ade s VAL 218 Cb -0.20 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1ade s VAL 218 CO 0.24 0.36 -0.24 -0.32 0.00 0.00 0.00 175.10 175.14 1ade s MET 219 N 0.46 2.78 -0.20 2.72 1.75 -0.14 -1.45 119.30 125.22 1ade s MET 219 Ca -0.11 -0.87 -0.07 0.00 -1.25 0.00 0.00 55.69 53.39 1ade s MET 219 Cb -0.14 -2.20 -0.03 0.00 2.84 0.00 0.00 34.83 35.30 1ade s MET 219 CO 0.03 0.26 0.04 -0.06 -0.65 0.00 0.00 175.02 174.64 1ade s PHE 220 N 0.15 3.14 -0.21 4.11 0.40 0.60 -0.09 117.98 126.07 1ade s PHE 220 Ca -0.13 -0.19 -0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1ade s PHE 220 Cb -0.16 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 1ade s PHE 220 CO 0.07 -0.08 0.04 -1.83 0.70 0.00 0.00 175.22 174.12 1ade s GLU 221 N 0.84 3.74 0.24 0.44 -1.05 0.35 -1.54 118.70 121.72 1ade s GLU 221 Ca 0.03 -0.45 -0.13 0.00 -0.15 0.00 0.00 54.97 54.26 1ade s GLU 221 Cb -0.14 -3.21 -0.08 0.00 -0.44 0.00 0.00 34.13 30.27 1ade s GLU 221 CO 0.02 0.02 0.63 0.20 0.95 0.00 0.00 175.26 177.09 1ade s GLY 222 N 1.02 2.37 0.00 -3.83 0.00 -0.61 -4.08 107.32 102.19 1ade s GLY 222 Ca 0.03 -0.09 0.16 0.00 0.00 0.00 0.00 44.72 44.82 1ade s GLY 222 CO 0.03 0.12 0.97 0.00 0.00 0.00 0.00 173.10 174.22 1ade n ALA 223 N 0.05 2.63 -3.94 3.20 0.00 -1.26 -4.75 120.51 116.44 1ade n ALA 223 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1ade n ALA 223 Cb 0.52 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 1ade n ALA 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ade n GLN 224 N 0.67 0.64 -3.31 0.00 3.00 -1.26 -4.81 117.38 112.31 1ade n GLN 224 Ca 0.09 -1.84 -0.32 0.00 -0.01 0.00 0.00 57.00 54.92 1ade n GLN 224 Cb 0.39 1.10 -0.05 0.00 0.00 0.00 0.00 30.24 31.68 1ade n GLN 224 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1ade s GLY 225 N -2.33 2.27 0.15 1.08 0.00 -1.26 -3.76 107.32 103.47 1ade s GLY 225 Ca 0.13 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.49 1ade s GLY 225 CO 0.09 -0.03 1.68 -0.84 0.00 0.00 0.00 173.10 174.01 1ade h THR 226 N 1.93 0.68 0.00 0.90 2.02 -0.88 -2.90 112.91 114.67 1ade h THR 226 Ca -0.47 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1ade h THR 226 Cb 1.17 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1ade h THR 226 CO 0.68 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.75 1ade n LEU 227 N -5.25 0.00 -0.74 2.58 4.77 -0.84 -1.32 117.00 116.20 1ade n LEU 227 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1ade n LEU 227 Cb 0.18 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1ade n LEU 227 CO 0.19 0.00 0.56 0.18 -1.33 0.00 0.00 177.39 176.99 1ade n LEU 228 N -0.74 2.65 -4.62 2.23 4.77 -1.09 -1.75 117.00 118.45 1ade n LEU 228 Ca 0.06 -1.26 -0.46 0.00 -0.03 0.00 0.00 56.01 54.31 1ade n LEU 228 Cb 0.03 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1ade n LEU 228 CO 0.04 0.53 0.78 -0.67 -1.33 0.00 0.00 177.39 176.75 1ade n ASP 229 N 0.96 1.85 -0.35 -1.43 2.03 -0.43 -0.30 116.55 118.87 1ade n ASP 229 Ca 0.12 1.16 0.02 0.00 0.52 0.00 0.00 54.79 56.60 1ade n ASP 229 Cb 0.44 -1.32 0.18 0.00 -0.72 0.00 0.00 41.12 39.70 1ade n ASP 229 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1ade h ILE 230 N 2.61 1.13 0.05 5.18 2.10 -1.48 0.54 117.51 127.64 1ade h ILE 230 Ca -0.43 -0.41 -0.24 0.00 1.08 0.00 0.00 64.86 64.86 1ade h ILE 230 Cb 1.32 -0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 36.86 1ade h ILE 230 CO 0.69 0.22 -1.30 0.44 -1.08 0.00 0.00 178.15 177.12 1ade h ASP 231 N 1.19 0.16 0.05 2.19 5.19 -1.90 -3.42 116.42 119.88 1ade h ASP 231 Ca 0.40 -0.71 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1ade h ASP 231 Cb 0.08 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1ade h ASP 231 CO -0.14 1.54 -0.67 1.41 -3.12 0.00 0.00 179.24 178.26 1ade n HIS 232 N -4.18 0.00 -0.94 4.55 8.25 -1.23 -4.94 115.22 116.73 1ade n HIS 232 Ca -0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1ade n HIS 232 Cb 0.77 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.85 1ade n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ade n GLY 233 N 1.45 -0.91 2.79 -1.41 0.00 0.18 -4.89 105.19 102.41 1ade n GLY 233 Ca 0.07 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1ade n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ade n THR 234 N -1.63 2.78 -1.67 2.61 -2.24 -0.72 -4.92 114.28 108.49 1ade n THR 234 Ca 0.00 -2.16 -0.42 0.00 -2.27 0.00 0.00 64.05 59.20 1ade n THR 234 Cb 0.00 -2.42 -0.00 0.00 -2.10 0.00 0.00 70.33 65.81 1ade n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ade n TYR 235 N 5.97 1.97 1.16 4.78 9.36 -1.26 0.30 117.16 139.44 1ade n TYR 235 Ca 0.53 0.56 0.04 0.00 3.32 0.00 0.00 57.90 62.36 1ade n TYR 235 Cb 0.33 -2.36 0.12 0.00 -0.63 0.00 0.00 39.34 36.79 1ade n TYR 235 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ade n PRO 236 N 0.42 1.61 -2.16 2.98 -0.04 -1.26 -4.89 135.00 131.66 1ade n PRO 236 Ca 0.06 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 62.16 1ade n PRO 236 Cb 0.37 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1ade n PRO 236 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ade n TYR 237 N 0.26 3.04 -4.14 0.54 4.01 0.15 -4.87 117.16 116.14 1ade n TYR 237 Ca 0.09 -2.84 -0.10 0.00 -0.16 0.00 0.00 57.90 54.89 1ade n TYR 237 Cb 0.22 -2.09 -0.10 0.00 -0.31 0.00 0.00 39.34 37.06 1ade n TYR 237 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1ade s VAL 238 N 1.00 0.08 0.92 -0.72 -7.23 -1.26 -4.33 120.40 108.85 1ade s VAL 238 Ca 0.42 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 1ade s VAL 238 Cb 0.11 -2.10 0.20 0.00 0.56 0.00 0.00 36.38 35.15 1ade s VAL 238 CO -0.02 -0.38 1.25 0.28 -0.31 0.00 0.00 175.10 175.92 1ade s THR 239 N -4.06 2.01 -2.52 5.32 -1.32 0.59 -4.95 115.64 110.71 1ade s THR 239 Ca 0.26 -0.19 0.27 0.00 -1.21 0.00 0.00 61.69 60.83 1ade s THR 239 Cb 0.07 -2.82 0.47 0.00 -1.51 0.00 0.00 72.50 68.71 1ade s THR 239 CO 0.03 0.00 1.65 -1.54 -2.21 0.00 0.00 174.62 172.55 1ade n SER 240 N -3.56 1.70 -4.71 8.08 3.41 -1.26 -3.95 113.62 113.33 1ade n SER 240 Ca 0.17 -1.53 -0.24 0.00 -0.26 0.00 0.00 58.87 57.00 1ade n SER 240 Cb 0.60 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1ade n SER 240 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ade s SER 241 N -2.04 4.91 0.20 4.04 1.04 -1.26 -4.88 113.70 115.71 1ade s SER 241 Ca 0.35 -0.46 -0.28 0.00 0.48 0.00 0.00 55.95 56.05 1ade s SER 241 Cb 0.21 -1.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.18 1ade s SER 241 CO 0.35 0.01 0.88 0.20 0.98 0.00 0.00 173.24 175.66 1ade s ASN 242 N -3.53 7.54 0.00 7.02 -0.87 -1.26 -1.81 114.94 122.03 1ade s ASN 242 Ca 0.31 1.82 0.00 0.00 -1.57 0.00 0.00 52.86 53.42 1ade s ASN 242 Cb -0.08 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1ade s ASN 242 CO 0.21 0.16 0.87 0.35 -2.57 0.00 0.00 177.10 176.12 1ade n THR 243 N 1.63 0.75 -3.13 1.60 -2.24 -1.26 -4.77 114.28 106.87 1ade n THR 243 Ca -0.03 -0.82 -0.20 0.00 -2.27 0.00 0.00 64.05 60.73 1ade n THR 243 Cb 0.48 0.64 0.01 0.00 -2.10 0.00 0.00 70.33 69.36 1ade n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ade s THR 244 N -0.75 3.66 -0.27 4.28 -4.23 -1.26 -4.43 115.64 112.64 1ade s THR 244 Ca 0.00 -0.80 0.22 0.00 -1.18 0.00 0.00 61.69 59.92 1ade s THR 244 Cb 0.00 -3.30 0.22 0.00 1.34 0.00 0.00 72.50 70.76 1ade s THR 244 CO 0.00 -0.16 1.66 0.00 -0.54 0.00 0.00 174.62 175.59 1ade n ALA 245 N -1.91 1.17 0.30 3.99 0.00 -1.26 -1.83 120.51 120.97 1ade n ALA 245 Ca 0.03 0.17 0.18 0.00 0.00 0.00 0.00 53.44 53.82 1ade n ALA 245 Cb 0.58 -1.33 0.82 0.00 0.00 0.00 0.00 19.45 19.52 1ade n ALA 245 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ade h GLY 246 N 0.45 0.00 2.00 0.00 0.00 -1.91 -1.72 103.07 101.89 1ade h GLY 246 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ade h GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ade n GLY 247 N -0.42 -1.25 0.10 4.60 0.00 -0.76 -4.02 105.19 103.44 1ade n GLY 247 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1ade n GLY 247 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ade h VAL 248 N 0.00 1.08 -0.43 1.61 2.07 -1.53 -0.10 116.25 118.95 1ade h VAL 248 Ca 0.00 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ade h VAL 248 Cb 0.38 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1ade h VAL 248 CO 0.00 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.92 1ade h ALA 249 N 1.02 0.55 -0.17 1.67 0.00 -1.76 -2.14 119.26 118.42 1ade h ALA 249 Ca 0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1ade h ALA 249 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ade h ALA 249 CO -0.01 0.05 -0.68 1.15 0.00 0.00 0.00 179.25 179.76 1ade h THR 250 N 0.57 1.30 -0.00 0.00 2.02 -1.76 0.17 112.91 115.21 1ade h THR 250 Ca 0.15 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1ade h THR 250 Cb 0.01 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1ade h THR 250 CO -0.03 0.61 -0.12 0.61 0.37 0.00 0.00 175.52 176.96 1ade n GLY 251 N 0.52 -1.06 0.00 2.16 0.00 -0.06 -4.13 105.19 102.63 1ade n GLY 251 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ade n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ade n SER 252 N -1.09 2.05 0.00 1.61 3.41 -0.81 -0.75 113.62 118.04 1ade n SER 252 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1ade n SER 252 Cb 0.28 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1ade n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ade n GLY 253 N 1.09 0.73 3.77 5.00 0.00 0.57 -4.23 105.19 112.12 1ade n GLY 253 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ade n GLY 253 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ade s LEU 254 N 0.00 4.43 0.36 0.99 2.96 -1.19 -4.88 118.68 121.35 1ade s LEU 254 Ca 0.00 2.65 -0.28 0.00 -0.22 0.00 0.00 54.13 56.28 1ade s LEU 254 Cb 0.00 -3.64 -0.11 0.00 0.50 0.00 0.00 46.19 42.94 1ade s LEU 254 CO 0.00 -0.53 1.45 -0.83 -1.32 0.00 0.00 176.35 175.12 1ade s GLY 255 N -0.39 2.92 0.42 7.98 0.00 -1.26 -4.38 107.32 112.61 1ade s GLY 255 Ca 0.50 1.50 0.16 0.00 0.00 0.00 0.00 44.72 46.89 1ade s GLY 255 CO 0.51 2.20 1.90 -0.56 0.00 0.00 0.00 173.10 177.15 1ade h PRO 256 N 3.18 0.40 0.00 2.90 0.13 -1.93 0.06 132.00 136.74 1ade h PRO 256 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ade h PRO 256 Cb 1.24 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ade h PRO 256 CO 0.65 0.26 0.00 0.54 -0.23 0.00 0.00 178.00 179.23 1ade n ARG 257 N -4.48 0.72 -0.70 0.86 1.74 -1.26 -3.56 116.66 109.98 1ade n ARG 257 Ca 0.16 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.33 1ade n ARG 257 Cb 0.58 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.89 1ade n ARG 257 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ade n TYR 258 N -1.02 1.65 -3.27 -1.55 4.01 0.01 -4.88 117.16 112.10 1ade n TYR 258 Ca 0.18 -0.67 -0.40 0.00 -0.16 0.00 0.00 57.90 56.85 1ade n TYR 258 Cb 0.09 -0.34 -0.08 0.00 -0.31 0.00 0.00 39.34 38.70 1ade n TYR 258 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1ade s VAL 259 N -2.20 5.09 -0.17 -0.72 1.01 -1.23 -4.72 120.40 117.45 1ade s VAL 259 Ca 0.52 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 63.14 1ade s VAL 259 Cb 0.36 -3.81 -0.22 0.00 0.00 0.00 0.00 36.38 32.70 1ade s VAL 259 CO 0.21 0.07 0.20 0.47 0.00 0.00 0.00 175.10 176.05 1ade n ASP 260 N 5.52 2.02 -3.78 3.32 8.00 -0.63 -4.97 116.55 126.03 1ade n ASP 260 Ca -0.05 0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 1ade n ASP 260 Cb 0.50 -0.84 -0.15 0.00 -0.02 0.00 0.00 41.12 40.61 1ade n ASP 260 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ade s TYR 261 N -2.50 -0.08 -0.28 1.24 6.14 -1.04 -4.81 117.35 116.02 1ade s TYR 261 Ca -0.27 0.31 -0.01 0.00 0.64 0.00 0.00 57.07 57.74 1ade s TYR 261 Cb 0.07 -0.11 0.05 0.00 0.42 0.00 0.00 41.96 42.39 1ade s TYR 261 CO 0.68 -0.12 -0.04 0.08 0.64 0.00 0.00 175.55 176.80 1ade s VAL 262 N 0.91 2.80 -0.25 3.14 1.01 -1.26 -1.00 120.40 125.75 1ade s VAL 262 Ca -0.07 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 60.42 1ade s VAL 262 Cb -0.10 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1ade s VAL 262 CO -0.04 -0.01 0.38 -0.22 0.00 0.00 0.00 175.10 175.21 1ade s LEU 263 N 1.24 4.08 -0.25 3.92 2.96 0.67 -0.33 118.68 130.96 1ade s LEU 263 Ca -0.05 0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 1ade s LEU 263 Cb -0.19 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1ade s LEU 263 CO -0.03 -0.15 0.10 -0.83 -1.32 0.00 0.00 176.35 174.13 1ade s GLY 264 N 1.43 1.83 -0.10 7.98 0.00 -0.39 -1.84 107.32 116.23 1ade s GLY 264 Ca 0.16 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 1ade s GLY 264 CO 0.09 0.51 1.09 -0.42 0.00 0.00 0.00 173.10 174.38 1ade s ILE 265 N 1.51 4.55 -0.15 0.90 -1.09 -0.08 -1.29 121.20 125.56 1ade s ILE 265 Ca 0.06 1.85 0.01 0.00 -2.23 0.00 0.00 60.65 60.34 1ade s ILE 265 Cb -0.15 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 1ade s ILE 265 CO 0.05 -0.02 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.35 1ade s LEU 266 N 2.24 1.92 0.37 2.97 2.96 -0.13 -1.72 118.68 127.29 1ade s LEU 266 Ca 0.51 -0.55 -0.21 0.00 -0.22 0.00 0.00 54.13 53.66 1ade s LEU 266 Cb -0.21 -1.32 -0.10 0.00 0.50 0.00 0.00 46.19 45.07 1ade s LEU 266 CO 0.18 0.00 0.89 -0.75 -1.32 0.00 0.00 176.35 175.36 1ade s LYS 267 N 1.20 4.27 0.00 1.98 2.20 -1.26 -0.52 119.74 127.61 1ade s LYS 267 Ca 0.01 1.06 0.07 0.00 -0.36 0.00 0.00 55.97 56.74 1ade s LYS 267 Cb -0.14 -2.42 0.30 0.00 -1.51 0.00 0.00 37.83 34.07 1ade s LYS 267 CO -0.08 0.11 1.18 0.00 -0.36 0.00 0.00 175.35 176.20 1ade n ALA 268 N -0.22 1.36 -3.07 3.13 0.00 -0.22 -4.73 120.51 116.76 1ade n ALA 268 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1ade n ALA 268 Cb 0.53 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1ade n ALA 268 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ade s TYR 269 N -2.89 0.57 0.19 0.00 1.13 -1.26 -4.40 117.35 110.69 1ade s TYR 269 Ca 0.04 -0.91 0.06 0.00 -1.41 0.00 0.00 57.07 54.85 1ade s TYR 269 Cb 0.04 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1ade s TYR 269 CO 0.12 -1.03 0.14 -1.12 -2.51 0.00 0.00 175.55 171.15 1ade s SER 270 N -3.08 5.45 0.04 -0.18 0.01 -0.21 -4.80 113.70 110.92 1ade s SER 270 Ca 0.25 -0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 1ade s SER 270 Cb -0.00 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 1ade s SER 270 CO 0.12 0.04 0.03 0.42 0.41 0.00 0.00 173.24 174.26 1ade s THR 271 N -1.86 0.15 -0.18 1.44 -4.23 -1.26 -2.04 115.64 107.66 1ade s THR 271 Ca 0.31 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1ade s THR 271 Cb -0.09 -0.95 0.06 0.00 1.34 0.00 0.00 72.50 72.85 1ade s THR 271 CO 0.23 -0.70 0.45 -0.60 -0.54 0.00 0.00 174.62 173.46 1ade s ARG 272 N -2.77 0.47 -0.16 3.99 3.52 -0.73 -4.49 118.95 118.78 1ade s ARG 272 Ca -0.04 0.77 -0.06 0.00 -0.13 0.00 0.00 55.73 56.27 1ade s ARG 272 Cb -0.00 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 1ade s ARG 272 CO -0.06 -0.12 0.06 0.08 -0.81 0.00 0.00 175.30 174.45 1ade s VAL 273 N 1.00 4.80 0.00 7.11 1.01 -1.26 -0.75 120.40 132.31 1ade s VAL 273 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1ade s VAL 273 Cb -0.06 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1ade s VAL 273 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1ade n GLY 274 N 3.05 0.06 3.76 4.51 0.00 -1.26 -4.99 105.19 110.32 1ade n GLY 274 Ca -0.17 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 1ade n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ade s ALA 275 N -1.66 3.75 0.00 4.61 0.00 -1.26 -4.95 121.76 122.25 1ade s ALA 275 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1ade s ALA 275 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1ade s ALA 275 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1ade n GLY 276 N -1.31 2.45 3.69 0.00 0.00 -1.26 -4.91 105.19 103.85 1ade n GLY 276 Ca -0.03 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 1ade n GLY 276 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ade n PRO 277 N -1.10 2.44 -2.97 1.61 -0.02 -1.26 -4.97 135.00 128.73 1ade n PRO 277 Ca 0.00 0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1ade n PRO 277 Cb 0.00 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 30.76 1ade n PRO 277 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ade n PHE 278 N 4.15 -2.57 0.25 6.00 -0.00 -1.26 -5.03 117.46 119.01 1ade n PHE 278 Ca 0.17 -2.21 0.18 0.00 -0.00 0.00 0.00 57.45 55.59 1ade n PHE 278 Cb 0.32 0.96 0.90 0.00 -0.00 0.00 0.00 39.48 41.66 1ade n PHE 278 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1ade h PRO 279 N 4.83 0.00 -0.42 -7.13 0.11 -1.91 -2.47 132.00 125.02 1ade h PRO 279 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ade h PRO 279 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ade h PRO 279 CO 0.22 0.00 0.00 -2.37 -0.21 0.00 0.00 178.00 175.64 1ade n THR 280 N -3.47 1.81 -1.69 -1.15 5.66 -1.26 -4.23 114.28 109.95 1ade n THR 280 Ca 0.00 -1.40 -0.37 0.00 -3.05 0.00 0.00 64.05 59.23 1ade n THR 280 Cb 0.30 0.08 0.06 0.00 -1.55 0.00 0.00 70.33 69.22 1ade n THR 280 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ade n GLU 281 N 0.33 1.06 -5.01 1.09 2.13 -0.93 -2.05 120.64 117.25 1ade n GLU 281 Ca 0.20 0.41 -0.32 0.00 0.66 0.00 0.00 57.16 58.11 1ade n GLU 281 Cb 0.77 -2.41 -0.14 0.00 0.27 0.00 0.00 31.44 29.93 1ade n GLU 281 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ade s LEU 282 N -3.54 2.50 -0.37 4.31 1.43 0.11 -4.85 118.68 118.28 1ade s LEU 282 Ca 0.80 -0.31 0.09 0.00 -1.03 0.00 0.00 54.13 53.68 1ade s LEU 282 Cb -0.39 -1.49 0.44 0.00 0.03 0.00 0.00 46.19 44.78 1ade s LEU 282 CO 0.43 0.30 1.11 0.49 0.23 0.00 0.00 176.35 178.91 1ade n PHE 283 N 2.59 2.72 -3.26 0.29 3.01 -1.26 -4.71 117.46 116.84 1ade n PHE 283 Ca -0.17 -2.75 0.00 0.00 1.01 0.00 0.00 57.45 55.53 1ade n PHE 283 Cb 0.52 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1ade n PHE 283 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ade n ASP 284 N -0.49 0.00 -0.03 4.37 5.68 -1.26 -4.98 116.55 119.84 1ade n ASP 284 Ca 0.33 -0.51 -0.08 0.00 -0.50 0.00 0.00 54.79 54.02 1ade n ASP 284 Cb 0.78 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.74 1ade n ASP 284 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ade h GLU 285 N 0.00 -0.11 -0.60 0.11 3.07 -1.99 -1.61 114.58 113.45 1ade h GLU 285 Ca 0.00 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1ade h GLU 285 Cb 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.86 1ade h GLU 285 CO 0.00 -0.07 0.22 1.15 -1.40 0.00 0.00 179.01 178.90 1ade h THR 286 N -0.11 0.77 -0.12 1.13 2.02 -1.98 0.27 112.91 114.88 1ade h THR 286 Ca 0.11 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1ade h THR 286 Cb 0.28 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1ade h THR 286 CO -0.27 0.07 -0.06 1.23 0.37 0.00 0.00 175.52 176.87 1ade h GLY 287 N 0.40 0.06 1.67 2.16 0.00 -1.68 0.05 103.07 105.72 1ade h GLY 287 Ca 0.30 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 1ade h GLY 287 CO -0.31 -0.07 -0.14 1.05 0.00 0.00 0.00 176.54 177.07 1ade h GLU 288 N -0.04 0.40 -0.01 4.80 4.11 -0.38 -2.14 114.58 121.32 1ade h GLU 288 Ca 0.07 -0.11 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1ade h GLU 288 Cb 0.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ade h GLU 288 CO -0.15 0.55 0.01 0.35 0.07 0.00 0.00 179.01 179.83 1ade h PHE 289 N 0.37 0.01 -0.23 2.06 3.57 0.10 0.28 116.94 123.10 1ade h PHE 289 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1ade h PHE 289 Cb 0.48 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1ade h PHE 289 CO 0.01 0.07 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.09 1ade h LEU 290 N -0.05 0.31 0.07 0.59 3.38 -0.81 0.21 115.31 119.02 1ade h LEU 290 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ade h LEU 290 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ade h LEU 290 CO -0.00 0.38 -0.04 0.00 0.09 0.00 0.00 178.44 178.87 1ade h LYS 292 N -0.62 0.63 -0.37 0.00 2.10 -0.73 -0.48 116.57 117.10 1ade h LYS 292 Ca -0.01 -0.15 -0.09 0.00 -2.00 0.00 0.00 60.65 58.40 1ade h LYS 292 Cb 0.52 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 1ade h LYS 292 CO 0.02 0.64 -0.16 1.96 -2.00 0.00 0.00 179.45 179.91 1ade h GLN 293 N 0.50 0.67 -0.00 0.07 1.08 -0.66 -2.69 115.11 114.08 1ade h GLN 293 Ca 0.13 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1ade h GLN 293 Cb 0.29 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1ade h GLN 293 CO -0.00 0.80 -0.05 0.41 -0.95 0.00 0.00 178.83 179.04 1ade n GLY 294 N -0.42 -0.94 3.78 3.46 0.00 -0.31 -4.86 105.19 105.90 1ade n GLY 294 Ca 0.01 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1ade n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ade n ASN 295 N -0.93 -1.85 -2.48 1.61 5.15 -0.29 -4.85 115.26 111.62 1ade n ASN 295 Ca 0.17 -0.83 -0.26 0.00 -0.60 0.00 0.00 54.58 53.06 1ade n ASN 295 Cb 0.23 -3.89 -0.07 0.00 -0.53 0.00 0.00 39.78 35.52 1ade n ASN 295 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ade n GLU 296 N -4.38 2.46 -2.49 1.20 -0.58 -0.59 -4.96 120.64 111.29 1ade n GLU 296 Ca -0.23 -2.23 -0.23 0.00 -0.42 0.00 0.00 57.16 54.06 1ade n GLU 296 Cb 0.65 -2.15 0.07 0.00 -0.57 0.00 0.00 31.44 29.44 1ade n GLU 296 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1ade s PHE 297 N -1.33 2.38 -0.30 -0.32 0.08 -1.26 -2.54 117.98 114.68 1ade s PHE 297 Ca 0.60 0.01 -0.38 0.00 0.12 0.00 0.00 56.93 57.27 1ade s PHE 297 Cb 0.37 -2.99 -0.14 0.00 -0.57 0.00 0.00 43.02 39.68 1ade s PHE 297 CO -0.19 -1.36 1.93 0.41 -0.10 0.00 0.00 175.22 175.92 1ade n GLY 298 N -2.70 0.72 0.30 4.36 0.00 -1.12 -4.75 105.19 101.99 1ade n GLY 298 Ca 0.11 0.94 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1ade n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ade n ALA 299 N 7.12 1.22 -3.44 4.61 0.00 -1.24 -4.84 120.51 123.94 1ade n ALA 299 Ca 0.33 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.51 1ade n ALA 299 Cb 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 1ade n ALA 299 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ade n THR 300 N 0.00 -0.44 -3.31 0.00 5.66 -1.26 -4.89 114.28 110.04 1ade n THR 300 Ca 0.00 -3.88 -0.11 0.00 -3.05 0.00 0.00 64.05 57.01 1ade n THR 300 Cb 0.31 -1.83 0.02 0.00 -1.55 0.00 0.00 70.33 67.29 1ade n THR 300 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1ade n THR 301 N 2.30 -8.24 -3.94 1.09 -2.24 -1.26 -3.95 114.28 98.04 1ade n THR 301 Ca 0.27 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 1ade n THR 301 Cb 0.46 -5.82 0.01 0.00 -2.10 0.00 0.00 70.33 62.88 1ade n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ade n GLY 302 N -1.65 -1.05 3.50 3.38 0.00 -1.26 -4.98 105.19 103.12 1ade n GLY 302 Ca -0.08 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 1ade n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ade s ARG 303 N -6.23 1.23 0.28 1.61 0.52 -1.25 -5.01 118.95 110.10 1ade s ARG 303 Ca 0.25 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 54.81 1ade s ARG 303 Cb -0.14 0.54 -0.09 0.00 0.52 0.00 0.00 34.95 35.78 1ade s ARG 303 CO 0.92 -0.54 0.70 0.50 0.02 0.00 0.00 175.30 176.90 1ade s ARG 304 N -3.61 4.02 0.20 3.54 3.52 -1.26 -2.81 118.95 122.55 1ade s ARG 304 Ca 0.03 0.65 -0.25 0.00 -0.13 0.00 0.00 55.73 56.04 1ade s ARG 304 Cb -0.02 -2.56 -0.08 0.00 -1.56 0.00 0.00 34.95 30.73 1ade s ARG 304 CO -0.09 0.23 0.80 1.03 -0.81 0.00 0.00 175.30 176.46 1ade s ARG 305 N -2.73 4.54 0.37 5.12 3.00 -1.05 -4.79 118.95 123.41 1ade s ARG 305 Ca 0.50 1.15 -0.25 0.00 0.00 0.00 0.00 55.73 57.14 1ade s ARG 305 Cb -0.12 -3.15 -0.10 0.00 0.00 0.00 0.00 34.95 31.59 1ade s ARG 305 CO 0.19 0.51 0.99 1.03 0.00 0.00 0.00 175.30 178.01 1ade s ARG 306 N -1.39 4.36 0.26 3.54 0.52 0.07 -4.87 118.95 121.44 1ade s ARG 306 Ca 0.39 1.38 0.11 0.00 -0.52 0.00 0.00 55.73 57.09 1ade s ARG 306 Cb -0.22 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 1ade s ARG 306 CO 0.26 0.06 -0.19 0.95 0.02 0.00 0.00 175.30 176.40 1ade s THR 307 N -1.71 2.31 0.07 0.02 -4.23 -1.26 -1.78 115.64 109.06 1ade s THR 307 Ca 0.55 -2.36 -0.27 0.00 -1.18 0.00 0.00 61.69 58.43 1ade s THR 307 Cb -0.19 -2.25 0.09 0.00 1.34 0.00 0.00 72.50 71.50 1ade s THR 307 CO 0.24 -0.44 1.17 -0.83 -0.54 0.00 0.00 174.62 174.22 1ade s GLY 308 N -3.47 -0.13 0.77 3.99 0.00 -0.87 0.09 107.32 107.71 1ade s GLY 308 Ca 0.28 0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.98 1ade s GLY 308 CO 0.13 2.69 1.09 -0.98 0.00 0.00 0.00 173.10 176.03 1ade s TRP 309 N -2.30 2.62 0.27 1.90 0.23 -0.87 -1.05 118.94 119.75 1ade s TRP 309 Ca 0.22 1.54 -0.30 0.00 -2.03 0.00 0.00 56.10 55.53 1ade s TRP 309 Cb 0.00 -3.03 -0.10 0.00 0.03 0.00 0.00 33.47 30.36 1ade s TRP 309 CO 0.01 -1.75 1.44 -1.17 0.96 0.00 0.00 176.95 176.44 1ade s LEU 310 N -5.89 4.38 -0.39 2.99 1.98 -1.26 -3.80 118.68 116.68 1ade s LEU 310 Ca 0.61 2.73 -0.05 0.00 -2.89 0.00 0.00 54.13 54.53 1ade s LEU 310 Cb -0.17 -3.63 0.09 0.00 0.66 0.00 0.00 46.19 43.14 1ade s LEU 310 CO 0.56 -0.71 0.19 -0.62 -1.89 0.00 0.00 176.35 173.88 1ade s ASP 311 N 0.22 5.34 0.00 3.68 -1.08 -1.26 -2.08 116.67 121.49 1ade s ASP 311 Ca 0.58 -1.68 0.28 0.00 -0.52 0.00 0.00 52.55 51.21 1ade s ASP 311 Cb -0.43 -1.87 1.19 0.00 -1.46 0.00 0.00 42.92 40.36 1ade s ASP 311 CO 0.47 -0.49 1.89 0.35 0.52 0.00 0.00 175.17 177.91 1ade n THR 312 N 4.73 0.08 -0.02 1.71 -2.24 -0.46 -1.48 114.28 116.60 1ade n THR 312 Ca -0.07 0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.57 1ade n THR 312 Cb 0.42 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 1ade n THR 312 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ade h VAL 313 N 0.00 1.52 -0.48 2.28 2.07 -1.86 -2.32 116.25 117.46 1ade h VAL 313 Ca 0.00 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.42 1ade h VAL 313 Cb 0.48 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1ade h VAL 313 CO 0.00 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.16 1ade h ALA 314 N 0.26 1.10 -0.05 1.67 0.00 -1.86 -2.47 119.26 117.91 1ade h ALA 314 Ca -0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1ade h ALA 314 Cb 1.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ade h ALA 314 CO 0.07 0.57 -0.44 0.28 0.00 0.00 0.00 179.25 179.73 1ade h VAL 315 N 0.74 1.32 0.00 0.00 2.07 -1.32 -2.54 116.25 116.53 1ade h VAL 315 Ca 0.15 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1ade h VAL 315 Cb 0.45 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1ade h VAL 315 CO 0.02 0.46 0.00 0.03 0.02 0.00 0.00 177.57 178.10 1ade h ARG 316 N 0.10 0.00 -0.02 1.57 3.08 -0.95 -1.15 114.38 117.02 1ade h ARG 316 Ca 0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1ade h ARG 316 Cb 0.83 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.89 1ade h ARG 316 CO 0.06 0.00 -0.78 -0.09 -1.07 0.00 0.00 179.97 178.09 1ade h ARG 317 N 0.00 0.56 -0.52 0.04 9.65 -1.25 -2.84 114.38 120.02 1ade h ARG 317 Ca 0.00 -0.58 -0.01 0.00 -1.10 0.00 0.00 59.98 58.29 1ade h ARG 317 Cb 0.60 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 1ade h ARG 317 CO 0.00 1.20 0.29 0.00 2.80 0.00 0.00 179.97 184.26 1ade h ALA 318 N 0.38 0.67 -0.48 2.80 0.00 -1.27 0.47 119.26 121.82 1ade h ALA 318 Ca -0.09 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ade h ALA 318 Cb 1.46 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1ade h ALA 318 CO 0.15 0.19 0.12 0.28 0.00 0.00 0.00 179.25 179.99 1ade h VAL 319 N 0.69 0.76 -0.32 0.00 2.07 -1.25 -1.48 116.25 116.73 1ade h VAL 319 Ca 0.18 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 1ade h VAL 319 Cb 0.05 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1ade h VAL 319 CO -0.03 0.05 -0.02 -0.61 0.02 0.00 0.00 177.57 176.97 1ade h GLN 320 N 0.26 0.58 -0.18 1.57 4.15 -1.16 0.15 115.11 120.48 1ade h GLN 320 Ca 0.23 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 1ade h GLN 320 Cb 0.29 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1ade h GLN 320 CO -0.29 0.73 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.01 1ade h LEU 321 N 0.37 0.33 -0.44 -2.39 3.38 -0.67 -3.14 115.31 112.75 1ade h LEU 321 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ade h LEU 321 Cb 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ade h LEU 321 CO 0.02 0.60 -0.75 0.59 0.09 0.00 0.00 178.44 178.99 1ade n ASN 322 N -4.14 1.43 -3.66 -0.43 3.02 -0.58 -4.62 115.26 106.29 1ade n ASN 322 Ca -0.01 -1.20 -0.24 0.00 -0.03 0.00 0.00 54.58 53.10 1ade n ASN 322 Cb 0.39 0.74 0.04 0.00 -0.61 0.00 0.00 39.78 40.33 1ade n ASN 322 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ade n SER 323 N -0.85 -2.92 -4.72 6.41 3.41 0.47 -4.80 113.62 110.63 1ade n SER 323 Ca 0.06 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 1ade n SER 323 Cb 0.39 -3.91 -0.00 0.00 -0.26 0.00 0.00 64.21 60.43 1ade n SER 323 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ade n LEU 324 N -4.13 3.99 -0.08 1.04 4.77 -0.98 -4.62 117.00 116.99 1ade n LEU 324 Ca -0.21 1.20 -0.18 0.00 -0.03 0.00 0.00 56.01 56.78 1ade n LEU 324 Cb 0.65 -1.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.08 1ade n LEU 324 CO 0.67 -0.31 -1.13 -1.20 -1.33 0.00 0.00 177.39 174.10 1ade n SER 325 N 0.60 1.85 -3.65 -1.43 7.64 0.55 -4.91 113.62 114.26 1ade n SER 325 Ca 0.04 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.86 1ade n SER 325 Cb 0.37 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1ade n SER 325 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ade s GLY 326 N -6.09 -0.33 0.15 0.23 0.00 -1.13 -4.31 107.32 95.84 1ade s GLY 326 Ca -0.28 0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.92 1ade s GLY 326 CO 0.68 0.12 0.11 -1.36 0.00 0.00 0.00 173.10 172.65 1ade s PHE 327 N -3.31 3.12 -0.25 1.90 0.08 0.31 -1.27 117.98 118.56 1ade s PHE 327 Ca 0.09 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.14 1ade s PHE 327 Cb -0.02 -1.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.97 1ade s PHE 327 CO -0.03 0.52 -0.12 0.00 -0.10 0.00 0.00 175.22 175.49 1ade s LEU 329 N 1.15 4.28 0.23 0.00 2.96 0.13 -0.95 118.68 126.48 1ade s LEU 329 Ca -0.06 1.34 0.11 0.00 -0.22 0.00 0.00 54.13 55.31 1ade s LEU 329 Cb -0.18 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 1ade s LEU 329 CO -0.06 -0.27 -0.21 0.42 -1.32 0.00 0.00 176.35 174.91 1ade s THR 330 N 1.36 2.27 -1.60 3.68 -4.23 0.32 -1.69 115.64 115.77 1ade s THR 330 Ca 0.43 -2.19 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1ade s THR 330 Cb -0.18 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1ade s THR 330 CO 0.19 -0.31 0.47 0.29 -0.54 0.00 0.00 174.62 174.73 1ade n LYS 331 N -0.16 -4.16 -0.05 3.99 4.76 -1.26 -1.06 118.16 120.23 1ade n LYS 331 Ca -0.09 0.92 0.01 0.00 -2.87 0.00 0.00 58.31 56.27 1ade n LYS 331 Cb 0.58 -5.73 0.32 0.00 -1.84 0.00 0.00 35.03 28.36 1ade n LYS 331 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ade h LEU 332 N -1.07 0.57 -2.03 -0.35 5.85 -1.88 -2.65 115.31 113.75 1ade h LEU 332 Ca -0.52 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1ade h LEU 332 Cb 1.36 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1ade h LEU 332 CO 0.57 0.52 0.00 -2.24 -0.34 0.00 0.00 178.44 176.96 1ade h ASP 333 N 0.63 0.00 0.66 1.25 2.03 -1.90 -0.30 116.42 118.79 1ade h ASP 333 Ca 0.15 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1ade h ASP 333 Cb 0.13 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1ade h ASP 333 CO -0.01 0.00 -0.00 0.58 -1.03 0.00 0.00 179.24 178.77 1ade h VAL 334 N 0.00 0.00 -0.01 4.15 2.07 -1.80 -1.63 116.25 119.02 1ade h VAL 334 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ade h VAL 334 Cb 0.07 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1ade h VAL 334 CO 0.00 0.00 -0.22 0.18 0.02 0.00 0.00 177.57 177.55 1ade n LEU 335 N -3.09 1.45 -4.72 2.57 4.77 -0.12 -4.83 117.00 113.03 1ade n LEU 335 Ca -0.01 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 1ade n LEU 335 Cb 0.22 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1ade n LEU 335 CO 0.25 0.26 1.32 0.47 -1.33 0.00 0.00 177.39 178.36 1ade n ASP 336 N -0.21 3.89 0.00 -1.43 9.92 -0.62 -2.68 116.55 125.42 1ade n ASP 336 Ca 0.13 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.48 1ade n ASP 336 Cb 0.39 -1.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.30 1ade n ASP 336 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ade n GLY 337 N 3.43 0.83 3.83 0.44 0.00 0.22 -5.01 105.19 108.94 1ade n GLY 337 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ade n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ade s LEU 338 N 0.00 3.37 0.01 0.99 1.43 -1.09 -4.91 118.68 118.48 1ade s LEU 338 Ca 0.00 1.61 0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1ade s LEU 338 Cb 0.00 -4.50 -0.22 0.00 0.03 0.00 0.00 46.19 41.49 1ade s LEU 338 CO 0.00 -1.02 0.85 0.11 0.23 0.00 0.00 176.35 176.52 1ade h LYS 339 N 0.09 0.00 -3.66 1.70 1.79 -1.91 -3.03 116.57 111.54 1ade h LYS 339 Ca -0.45 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.87 1ade h LYS 339 Cb 1.20 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.65 1ade h LYS 339 CO 0.59 0.64 -0.54 -1.83 -1.08 0.00 0.00 179.45 177.24 1ade s GLU 340 N -2.63 0.47 -0.00 3.15 -1.05 -1.26 -0.07 118.70 117.30 1ade s GLU 340 Ca -0.03 -0.51 0.07 0.00 -0.15 0.00 0.00 54.97 54.35 1ade s GLU 340 Cb 0.09 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.94 1ade s GLU 340 CO 0.82 -0.11 -0.22 0.08 0.95 0.00 0.00 175.26 176.79 1ade s VAL 341 N -1.62 1.74 0.05 1.83 1.01 0.38 -4.61 120.40 119.19 1ade s VAL 341 Ca -0.13 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 60.93 1ade s VAL 341 Cb -0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1ade s VAL 341 CO -0.00 0.43 -0.26 -0.54 0.00 0.00 0.00 175.10 174.72 1ade s LYS 342 N -0.69 1.78 -0.09 2.72 1.02 -1.26 0.64 119.74 123.86 1ade s LYS 342 Ca 0.08 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 54.97 1ade s LYS 342 Cb -0.09 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1ade s LYS 342 CO -0.00 0.51 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.27 1ade s LEU 343 N -1.30 1.78 -0.14 3.17 1.43 -0.10 -4.19 118.68 119.33 1ade s LEU 343 Ca 0.12 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1ade s LEU 343 Cb -0.10 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1ade s LEU 343 CO 0.02 0.06 0.97 0.00 0.23 0.00 0.00 176.35 177.63 1ade n VAL 345 N 4.74 0.00 -3.68 0.00 0.24 -0.32 -1.36 118.33 117.96 1ade n VAL 345 Ca 0.08 -0.31 -0.07 0.00 -2.04 0.00 0.00 64.34 62.00 1ade n VAL 345 Cb 0.48 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.91 1ade n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ade s ALA 346 N -1.75 -1.54 -0.04 2.33 0.00 -1.19 -4.76 121.76 114.80 1ade s ALA 346 Ca 0.07 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1ade s ALA 346 Cb 0.09 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1ade s ALA 346 CO 0.37 -0.93 -0.21 0.71 0.00 0.00 0.00 175.76 175.70 1ade s TYR 347 N -3.53 2.51 -0.24 0.00 2.02 0.10 -0.22 117.35 117.98 1ade s TYR 347 Ca 0.08 -0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 1ade s TYR 347 Cb -0.03 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1ade s TYR 347 CO -0.01 0.04 0.04 0.50 -1.57 0.00 0.00 175.55 174.55 1ade s ARG 348 N -0.60 3.57 0.62 -0.62 3.52 0.11 -1.05 118.95 124.50 1ade s ARG 348 Ca 0.09 -0.52 -0.13 0.00 -0.13 0.00 0.00 55.73 55.04 1ade s ARG 348 Cb -0.11 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1ade s ARG 348 CO 0.00 -0.20 1.03 -1.64 -0.81 0.00 0.00 175.30 173.69 1ade s MET 349 N 1.58 3.44 0.55 5.12 -1.94 0.48 -1.41 119.30 127.11 1ade s MET 349 Ca 0.06 0.92 0.23 0.00 -1.71 0.00 0.00 55.69 55.19 1ade s MET 349 Cb -0.15 -2.06 1.45 0.00 2.01 0.00 0.00 34.83 36.08 1ade s MET 349 CO 0.02 -0.70 2.09 -1.35 -0.01 0.00 0.00 175.02 175.07 1ade h PRO 350 N -0.07 0.00 -1.08 2.03 0.11 -1.83 0.28 132.00 131.44 1ade h PRO 350 Ca -0.45 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.34 1ade h PRO 350 Cb 1.20 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.13 1ade h PRO 350 CO 0.60 0.00 0.41 -0.40 -0.21 0.00 0.00 178.00 178.40 1ade n ASP 351 N -4.25 4.05 0.00 -2.05 5.75 -1.26 -4.86 116.55 113.93 1ade n ASP 351 Ca 0.02 -2.99 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 1ade n ASP 351 Cb 0.32 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1ade n ASP 351 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ade n GLY 352 N -0.36 0.35 3.71 6.12 0.00 0.09 -4.94 105.19 110.15 1ade n GLY 352 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1ade n GLY 352 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ade s ARG 353 N -0.57 4.36 -0.31 1.61 3.52 -1.24 -4.71 118.95 121.61 1ade s ARG 353 Ca 0.00 1.93 -0.08 0.00 -0.13 0.00 0.00 55.73 57.45 1ade s ARG 353 Cb 0.00 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1ade s ARG 353 CO 0.00 -0.39 0.11 -1.21 -0.81 0.00 0.00 175.30 173.01 1ade s GLU 354 N 1.28 3.12 0.16 5.12 2.02 -1.26 0.18 118.70 129.32 1ade s GLU 354 Ca 0.62 -0.85 0.09 0.00 0.02 0.00 0.00 54.97 54.85 1ade s GLU 354 Cb -0.33 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1ade s GLU 354 CO 0.29 -0.47 -0.13 0.14 0.02 0.00 0.00 175.26 175.12 1ade s VAL 355 N 1.53 3.05 -0.68 2.63 -7.23 -0.21 -4.95 120.40 114.53 1ade s VAL 355 Ca 0.03 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.64 1ade s VAL 355 Cb -0.17 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.36 1ade s VAL 355 CO 0.04 -0.04 0.75 0.35 -0.31 0.00 0.00 175.10 175.90 1ade n THR 356 N 0.31 0.16 -4.28 5.32 -2.24 -1.26 -0.72 114.28 111.56 1ade n THR 356 Ca -0.12 -0.58 -0.28 0.00 -2.27 0.00 0.00 64.05 60.79 1ade n THR 356 Cb 0.54 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.69 1ade n THR 356 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ade s THR 357 N -0.56 3.11 0.27 4.28 2.01 -1.26 -4.76 115.64 118.72 1ade s THR 357 Ca 0.08 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.25 1ade s THR 357 Cb 0.05 -2.48 -0.10 0.00 0.01 0.00 0.00 72.50 69.98 1ade s THR 357 CO 0.07 0.01 1.38 0.42 -0.69 0.00 0.00 174.62 175.81 1ade s THR 358 N -1.42 2.77 0.85 -0.82 -4.23 -1.26 -4.93 115.64 106.60 1ade s THR 358 Ca 0.22 0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 61.29 1ade s THR 358 Cb -0.10 -3.43 0.10 0.00 1.34 0.00 0.00 72.50 70.41 1ade s THR 358 CO 0.13 0.12 1.10 -2.16 -0.54 0.00 0.00 174.62 173.27 1ade s PRO 359 N -0.78 1.64 0.98 3.99 0.04 -1.26 -5.00 135.00 134.61 1ade s PRO 359 Ca 0.56 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1ade s PRO 359 Cb -0.40 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.40 1ade s PRO 359 CO 0.45 -1.94 0.81 1.28 0.04 0.00 0.00 177.00 177.64 1ade n LEU 360 N -3.66 1.14 0.21 -3.56 4.77 -1.26 -4.87 117.00 109.77 1ade n LEU 360 Ca 0.07 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.39 1ade n LEU 360 Cb 0.56 -1.32 0.43 0.00 -2.33 0.00 0.00 43.42 40.76 1ade n LEU 360 CO 0.56 -2.85 0.76 0.00 -1.33 0.00 0.00 177.39 174.53 1ade h ALA 361 N -1.92 1.10 -0.11 -1.18 0.00 -1.91 -2.62 119.26 112.61 1ade h ALA 361 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1ade h ALA 361 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ade h ALA 361 CO 0.40 0.38 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1ade n ALA 362 N -2.30 2.57 -2.69 0.00 0.00 -1.26 -4.86 120.51 111.98 1ade n ALA 362 Ca -0.01 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.98 1ade n ALA 362 Cb 0.43 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1ade n ALA 362 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ade s ASP 363 N -0.67 6.15 -0.58 0.00 -1.08 -0.99 -4.98 116.67 114.52 1ade s ASP 363 Ca 0.08 0.07 -0.25 0.00 -0.52 0.00 0.00 52.55 51.93 1ade s ASP 363 Cb 0.05 -1.64 -0.22 0.00 -1.46 0.00 0.00 42.92 39.65 1ade s ASP 363 CO 0.04 -0.29 1.83 -0.67 0.52 0.00 0.00 175.17 176.60 1ade n ASP 364 N -1.62 2.08 0.05 -0.34 2.03 -1.26 -4.72 116.55 112.77 1ade n ASP 364 Ca -0.04 -2.62 0.03 0.00 0.52 0.00 0.00 54.79 52.67 1ade n ASP 364 Cb 0.57 -0.98 0.16 0.00 -0.72 0.00 0.00 41.12 40.15 1ade n ASP 364 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1ade n TRP 365 N 8.58 0.20 0.02 -0.67 7.02 -1.26 -1.22 117.44 130.11 1ade n TRP 365 Ca 0.48 0.10 -0.11 0.00 -1.02 0.00 0.00 57.50 56.95 1ade n TRP 365 Cb 0.41 -0.63 -0.14 0.00 -2.42 0.00 0.00 31.31 28.54 1ade n TRP 365 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1ade h LYS 366 N 0.00 0.09 -0.25 -0.99 5.09 -2.02 -3.30 116.57 115.19 1ade h LYS 366 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 60.65 60.59 1ade h LYS 366 Cb 0.08 0.06 0.00 0.00 0.10 0.00 0.00 32.23 32.46 1ade h LYS 366 CO 0.00 0.83 0.00 0.41 -2.09 0.00 0.00 179.45 178.60 1ade n GLY 367 N 1.57 -0.00 3.72 0.07 0.00 -0.36 -4.84 105.19 105.35 1ade n GLY 367 Ca -0.14 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1ade n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ade s VAL 368 N -1.74 4.91 -0.06 1.61 -7.23 -1.23 -2.94 120.40 113.73 1ade s VAL 368 Ca 0.11 1.65 0.06 0.00 -1.81 0.00 0.00 61.98 61.99 1ade s VAL 368 Cb 0.06 -4.13 -0.01 0.00 0.56 0.00 0.00 36.38 32.86 1ade s VAL 368 CO 0.07 0.26 -0.25 -1.61 -0.31 0.00 0.00 175.10 173.26 1ade s GLU 369 N 0.59 2.60 0.26 4.82 0.41 -0.50 -4.93 118.70 121.96 1ade s GLU 369 Ca 0.41 -0.90 -0.29 0.00 -0.41 0.00 0.00 54.97 53.78 1ade s GLU 369 Cb -0.19 -2.18 -0.09 0.00 -1.78 0.00 0.00 34.13 29.89 1ade s GLU 369 CO 0.22 0.36 0.93 -1.25 -0.49 0.00 0.00 175.26 175.03 1ade s PRO 370 N -0.11 4.77 -0.30 0.39 0.04 -1.26 0.08 135.00 138.61 1ade s PRO 370 Ca -0.05 1.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.31 1ade s PRO 370 Cb -0.14 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1ade s PRO 370 CO 0.04 0.46 0.17 0.42 0.04 0.00 0.00 177.00 178.13 1ade s ILE 371 N -1.30 4.84 0.32 0.56 -1.09 0.69 -4.88 121.20 120.35 1ade s ILE 371 Ca 0.43 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1ade s ILE 371 Cb -0.24 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1ade s ILE 371 CO 0.29 0.11 0.49 -0.31 -1.23 0.00 0.00 174.94 174.30 1ade s TYR 372 N 1.66 3.41 -0.19 3.97 2.02 -1.26 -1.17 117.35 125.79 1ade s TYR 372 Ca 0.06 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1ade s TYR 372 Cb -0.17 -1.85 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1ade s TYR 372 CO 0.08 0.15 -0.12 -1.21 -1.57 0.00 0.00 175.55 172.88 1ade s GLU 373 N -4.22 2.17 0.07 -0.62 2.02 0.11 -4.87 118.70 113.35 1ade s GLU 373 Ca 0.40 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 1ade s GLU 373 Cb -0.09 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1ade s GLU 373 CO 0.33 -0.37 0.24 0.95 0.02 0.00 0.00 175.26 176.43 1ade s THR 374 N 1.40 5.34 0.10 3.63 -4.23 -1.26 -0.92 115.64 119.69 1ade s THR 374 Ca 0.00 -0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 60.13 1ade s THR 374 Cb -0.15 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.07 1ade s THR 374 CO -0.09 0.13 0.25 0.00 -0.54 0.00 0.00 174.62 174.38 1ade s MET 375 N -2.49 0.90 0.25 3.99 0.23 0.21 -4.94 119.30 117.45 1ade s MET 375 Ca 0.36 -0.87 -0.31 0.00 -1.03 0.00 0.00 55.69 53.83 1ade s MET 375 Cb -0.13 0.38 -0.13 0.00 -1.53 0.00 0.00 34.83 33.42 1ade s MET 375 CO 0.27 -0.31 1.51 -2.30 -2.03 0.00 0.00 175.02 172.16 1ade n PRO 376 N -0.08 2.31 0.00 3.16 -0.02 -1.26 0.14 135.00 139.25 1ade n PRO 376 Ca -0.15 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1ade n PRO 376 Cb 0.63 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1ade n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ade n GLY 377 N 2.41 -0.47 3.37 -1.23 0.00 0.90 -4.48 105.19 105.70 1ade n GLY 377 Ca 0.11 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 1ade n GLY 377 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ade s TRP 378 N 0.03 -0.44 -0.13 1.61 -2.14 -1.14 -4.84 118.94 111.89 1ade s TRP 378 Ca 0.00 0.87 0.20 0.00 2.66 0.00 0.00 56.10 59.83 1ade s TRP 378 Cb 0.00 0.21 -0.20 0.00 -3.10 0.00 0.00 33.47 30.39 1ade s TRP 378 CO 0.00 -0.41 0.61 0.43 -2.66 0.00 0.00 176.95 174.92 1ade n SER 379 N 1.70 0.43 -4.78 -2.66 7.64 -1.26 0.73 113.62 115.42 1ade n SER 379 Ca -0.18 0.18 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1ade n SER 379 Cb 0.56 0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 64.71 1ade n SER 379 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1ade s GLU 380 N -3.11 3.57 0.02 1.43 1.03 -1.26 -4.56 118.70 115.82 1ade s GLU 380 Ca -0.05 1.64 -0.28 0.00 0.03 0.00 0.00 54.97 56.30 1ade s GLU 380 Cb 0.10 -2.17 -0.04 0.00 -0.80 0.00 0.00 34.13 31.22 1ade s GLU 380 CO 0.84 -0.68 0.91 0.45 -1.33 0.00 0.00 175.26 175.45 1ade s SER 381 N -1.64 7.32 0.00 0.83 0.15 -1.26 -4.64 113.70 114.46 1ade s SER 381 Ca 0.69 1.59 0.13 0.00 0.70 0.00 0.00 55.95 59.06 1ade s SER 381 Cb -0.25 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 61.86 1ade s SER 381 CO 0.29 -0.16 1.26 0.35 1.20 0.00 0.00 173.24 176.18 1ade n THR 382 N 3.49 0.87 -2.28 6.45 -2.24 -1.26 -4.94 114.28 114.38 1ade n THR 382 Ca 0.03 -0.94 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 1ade n THR 382 Cb 0.51 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1ade n THR 382 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ade s PHE 383 N -1.01 3.33 0.00 4.78 2.19 -1.26 -3.31 117.98 122.69 1ade s PHE 383 Ca 0.26 1.25 0.00 0.00 0.33 0.00 0.00 56.93 58.77 1ade s PHE 383 Cb 0.14 -3.54 0.00 0.00 -1.31 0.00 0.00 43.02 38.31 1ade s PHE 383 CO 0.19 -1.68 0.00 0.41 1.83 0.00 0.00 175.22 175.96 1ade n GLY 384 N 2.62 0.40 3.76 13.12 0.00 0.47 -4.97 105.19 120.59 1ade n GLY 384 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1ade n GLY 384 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ade s VAL 385 N -2.12 2.34 -0.91 1.61 1.01 -1.21 -4.83 120.40 116.28 1ade s VAL 385 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.37 1ade s VAL 385 Cb 0.00 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.22 1ade s VAL 385 CO 0.00 0.06 0.69 0.29 0.00 0.00 0.00 175.10 176.14 1ade n LYS 386 N 1.35 0.85 -3.86 2.72 5.02 -1.26 -4.55 118.16 118.43 1ade n LYS 386 Ca 0.04 -0.83 -0.11 0.00 -2.02 0.00 0.00 58.31 55.39 1ade n LYS 386 Cb 0.40 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 34.20 1ade n LYS 386 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ade s ASP 387 N -0.84 0.01 0.34 4.39 2.15 -1.26 -4.63 116.67 116.82 1ade s ASP 387 Ca 0.08 -0.20 0.22 0.00 0.43 0.00 0.00 52.55 53.09 1ade s ASP 387 Cb 0.07 0.22 1.22 0.00 -0.30 0.00 0.00 42.92 44.13 1ade s ASP 387 CO 0.13 -0.40 1.69 0.03 -0.17 0.00 0.00 175.17 176.45 1ade h ARG 388 N 4.15 0.00 -0.04 4.34 3.08 -1.96 -2.05 114.38 121.91 1ade h ARG 388 Ca -0.31 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.60 1ade h ARG 388 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1ade h ARG 388 CO 0.41 0.00 -0.63 0.77 -1.07 0.00 0.00 179.97 179.45 1ade h SER 389 N 0.00 0.19 0.49 7.04 0.02 -2.01 -2.95 113.55 116.33 1ade h SER 389 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1ade h SER 389 Cb 0.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ade h SER 389 CO 0.00 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 1ade n GLY 390 N 0.31 -1.06 3.86 -3.77 0.00 -0.77 -4.76 105.19 99.01 1ade n GLY 390 Ca -0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1ade n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ade s LEU 391 N -2.68 4.41 0.60 0.99 1.02 -1.11 -4.91 118.68 116.99 1ade s LEU 391 Ca 0.18 0.77 -0.17 0.00 0.02 0.00 0.00 54.13 54.93 1ade s LEU 391 Cb 0.14 -2.64 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 1ade s LEU 391 CO 0.34 0.28 1.09 -2.16 0.02 0.00 0.00 176.35 175.93 1ade s PRO 392 N -1.43 3.14 0.53 1.29 0.04 -1.26 -4.88 135.00 132.42 1ade s PRO 392 Ca 0.26 1.39 0.18 0.00 0.04 0.00 0.00 61.00 62.87 1ade s PRO 392 Cb -0.15 -2.00 1.33 0.00 0.04 0.00 0.00 34.50 33.73 1ade s PRO 392 CO 0.14 -0.98 2.14 0.37 0.04 0.00 0.00 177.00 178.71 1ade h GLN 393 N 0.52 0.00 -0.02 4.56 5.75 -1.96 -0.11 115.11 123.84 1ade h GLN 393 Ca -0.48 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 57.93 1ade h GLN 393 Cb 1.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 1ade h GLN 393 CO 0.56 0.00 -0.40 0.00 -2.65 0.00 0.00 178.83 176.34 1ade h ALA 394 N 1.97 1.30 -0.04 3.38 0.00 -1.90 -1.42 119.26 122.54 1ade h ALA 394 Ca 0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1ade h ALA 394 Cb 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ade h ALA 394 CO -0.00 0.52 -0.41 0.00 0.00 0.00 0.00 179.25 179.36 1ade h ALA 395 N 1.56 0.11 -0.33 0.00 0.00 -1.36 -2.29 119.26 116.95 1ade h ALA 395 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ade h ALA 395 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ade h ALA 395 CO 0.05 0.24 0.22 -0.07 0.00 0.00 0.00 179.25 179.69 1ade h LEU 396 N -0.17 0.31 -0.50 0.00 3.38 -1.23 -0.52 115.31 116.58 1ade h LEU 396 Ca -0.04 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1ade h LEU 396 Cb 1.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ade h LEU 396 CO 0.08 0.22 -0.39 0.78 0.09 0.00 0.00 178.44 179.22 1ade h ASN 397 N 0.37 0.85 0.36 -0.43 2.35 -1.11 0.13 115.58 118.09 1ade h ASN 397 Ca 0.13 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 1ade h ASN 397 Cb 0.08 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1ade h ASN 397 CO -0.03 1.14 -0.17 0.22 -1.65 0.00 0.00 177.43 176.93 1ade h TYR 398 N 0.65 -0.45 -0.40 1.19 3.20 -0.71 0.50 116.97 120.95 1ade h TYR 398 Ca 0.05 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.00 1ade h TYR 398 Cb 0.95 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 39.28 1ade h TYR 398 CO 0.05 -0.17 -0.22 0.82 -1.64 0.00 0.00 178.16 177.01 1ade h ILE 399 N -0.69 0.39 -0.74 1.81 2.04 -1.07 0.05 117.51 119.30 1ade h ILE 399 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1ade h ILE 399 Cb 0.49 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1ade h ILE 399 CO 0.08 0.00 0.44 0.50 0.00 0.00 0.00 178.15 179.17 1ade h LYS 400 N -0.15 0.79 -0.59 2.37 1.63 -0.55 -2.30 116.57 117.77 1ade h LYS 400 Ca 0.19 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1ade h LYS 400 Cb 0.45 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1ade h LYS 400 CO -0.49 0.52 0.31 -0.09 -3.45 0.00 0.00 179.45 176.25 1ade h ARG 401 N 0.81 0.81 -0.64 1.90 9.65 0.10 -2.20 114.38 124.81 1ade h ARG 401 Ca 0.32 -0.09 -0.07 0.00 -1.10 0.00 0.00 59.98 59.05 1ade h ARG 401 Cb 0.16 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 1ade h ARG 401 CO -0.17 0.61 0.14 0.82 2.80 0.00 0.00 179.97 184.17 1ade h ILE 402 N 0.82 1.26 -0.08 1.20 2.04 -0.72 -0.85 117.51 121.17 1ade h ILE 402 Ca 0.21 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 65.01 1ade h ILE 402 Cb 0.04 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1ade h ILE 402 CO -0.03 0.36 -0.41 -0.33 0.00 0.00 0.00 178.15 177.73 1ade h GLU 403 N 0.94 0.18 -0.16 2.37 5.08 -1.24 -1.42 114.58 120.33 1ade h GLU 403 Ca 0.20 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1ade h GLU 403 Cb 0.38 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ade h GLU 403 CO 0.00 0.57 -0.33 0.93 -1.00 0.00 0.00 179.01 179.18 1ade h GLU 404 N 0.15 0.51 0.00 2.33 5.08 -1.07 -0.31 114.58 121.28 1ade h GLU 404 Ca 0.01 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1ade h GLU 404 Cb 0.80 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1ade h GLU 404 CO 0.06 0.94 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.69 1ade h LEU 405 N 0.15 0.00 0.00 1.33 3.38 -1.07 -3.34 115.31 115.76 1ade h LEU 405 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1ade h LEU 405 Cb 0.93 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1ade h LEU 405 CO 0.07 0.26 -2.09 0.35 0.09 0.00 0.00 178.44 177.12 1ade n THR 406 N -3.36 1.09 -0.27 0.22 -2.24 -0.54 -4.95 114.28 104.22 1ade n THR 406 Ca 0.00 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1ade n THR 406 Cb 0.48 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1ade n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ade n GLY 407 N 2.04 0.71 3.33 3.38 0.00 -0.13 -4.95 105.19 109.57 1ade n GLY 407 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1ade n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ade s VAL 408 N -2.59 2.24 0.58 1.61 1.01 -1.24 -5.04 120.40 116.97 1ade s VAL 408 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 1ade s VAL 408 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1ade s VAL 408 CO 0.00 0.58 1.07 -2.16 0.00 0.00 0.00 175.10 174.59 1ade s PRO 409 N -0.48 3.33 -0.52 2.72 0.04 -1.26 -4.50 135.00 134.34 1ade s PRO 409 Ca 0.06 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.21 1ade s PRO 409 Cb -0.11 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.47 1ade s PRO 409 CO 0.01 -0.81 0.57 0.42 0.04 0.00 0.00 177.00 177.23 1ade s ILE 410 N -2.30 4.98 -0.19 0.56 1.01 -1.26 -0.53 121.20 123.47 1ade s ILE 410 Ca 0.65 -0.82 0.19 0.00 0.00 0.00 0.00 60.65 60.67 1ade s ILE 410 Cb -0.17 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1ade s ILE 410 CO 0.34 -0.82 1.03 0.44 0.00 0.00 0.00 174.94 175.93 1ade h ASP 411 N 8.96 0.00 -3.88 3.58 3.32 -1.36 -3.46 116.42 123.58 1ade h ASP 411 Ca -0.28 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.50 1ade h ASP 411 Cb 1.10 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.37 1ade h ASP 411 CO 0.98 0.33 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.46 1ade s ILE 412 N -3.10 0.17 -0.23 0.35 1.01 -1.06 -0.15 121.20 118.18 1ade s ILE 412 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1ade s ILE 412 Cb 0.09 -0.16 0.06 0.00 0.01 0.00 0.00 42.46 42.45 1ade s ILE 412 CO 0.79 0.01 -0.07 -0.63 0.00 0.00 0.00 174.94 175.04 1ade s ILE 413 N -0.15 1.63 -0.44 2.92 1.01 0.06 -0.70 121.20 125.54 1ade s ILE 413 Ca -0.00 -1.26 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 1ade s ILE 413 Cb -0.01 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.63 1ade s ILE 413 CO -0.00 -0.06 0.55 -0.55 0.00 0.00 0.00 174.94 174.87 1ade s SER 414 N 1.35 6.25 0.00 3.58 0.15 -0.68 -0.40 113.70 123.96 1ade s SER 414 Ca -0.06 -0.55 0.23 0.00 0.70 0.00 0.00 55.95 56.27 1ade s SER 414 Cb -0.19 -2.27 0.49 0.00 -1.71 0.00 0.00 66.02 62.34 1ade s SER 414 CO -0.06 -0.70 1.43 0.35 1.20 0.00 0.00 173.24 175.46 1ade n THR 415 N 5.64 0.36 -3.81 6.45 -2.24 -0.35 -3.98 114.28 116.35 1ade n THR 415 Ca -0.05 -0.61 0.02 0.00 -2.27 0.00 0.00 64.05 61.14 1ade n THR 415 Cb 0.47 0.89 0.01 0.00 -2.10 0.00 0.00 70.33 69.60 1ade n THR 415 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ade s GLY 416 N -1.58 -0.26 0.22 3.38 0.00 -1.16 -0.40 107.32 107.53 1ade s GLY 416 Ca 0.36 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.47 1ade s GLY 416 CO 0.30 3.02 1.52 -0.56 0.00 0.00 0.00 173.10 177.39 1ade h PRO 417 N 2.00 0.24 -7.05 2.90 0.13 -1.95 -3.44 132.00 124.83 1ade h PRO 417 Ca -0.26 -0.18 -0.51 0.00 -0.87 0.00 0.00 66.00 64.18 1ade h PRO 417 Cb 1.19 0.03 0.07 0.00 0.13 0.00 0.00 31.00 32.43 1ade h PRO 417 CO 0.30 0.81 0.46 0.34 -0.23 0.00 0.00 178.00 179.68 1ade s ASP 418 N -6.90 5.90 0.57 1.44 -1.08 -1.26 -4.89 116.67 110.45 1ade s ASP 418 Ca -0.04 2.26 0.26 0.00 -0.52 0.00 0.00 52.55 54.51 1ade s ASP 418 Cb 0.12 -2.59 1.64 0.00 -1.46 0.00 0.00 42.92 40.62 1ade s ASP 418 CO 0.80 -1.10 2.21 0.08 0.52 0.00 0.00 175.17 177.68 1ade h ARG 419 N 1.60 0.00 0.00 4.34 0.11 -1.97 -0.94 114.38 117.51 1ade h ARG 419 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1ade h ARG 419 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1ade h ARG 419 CO 0.58 0.00 0.00 1.79 0.10 0.00 0.00 179.97 182.44 1ade h THR 420 N 0.00 0.00 -0.53 0.08 1.35 -1.94 -3.32 112.91 108.54 1ade h THR 420 Ca 0.01 -0.82 -0.71 0.00 -0.55 0.00 0.00 66.41 64.34 1ade h THR 420 Cb 0.07 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.25 1ade h THR 420 CO -0.00 0.00 2.97 -0.62 -0.25 0.00 0.00 175.52 177.62 1ade n GLU 421 N -3.03 3.63 -3.74 4.72 1.02 -0.36 -4.82 120.64 118.06 1ade n GLU 421 Ca 0.03 -2.86 -0.12 0.00 -0.02 0.00 0.00 57.16 54.19 1ade n GLU 421 Cb 0.46 -2.93 -0.12 0.00 -0.02 0.00 0.00 31.44 28.83 1ade n GLU 421 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ade s THR 422 N 1.39 -0.02 -0.32 2.62 2.01 -1.25 -1.21 115.64 118.86 1ade s THR 422 Ca 0.54 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 1ade s THR 422 Cb 0.15 -0.46 0.05 0.00 0.01 0.00 0.00 72.50 72.25 1ade s THR 422 CO -0.06 0.02 0.06 -0.04 -0.69 0.00 0.00 174.62 173.91 1ade s MET 423 N 0.72 2.48 -0.76 4.92 -1.94 0.47 -4.90 119.30 120.29 1ade s MET 423 Ca -0.05 -1.27 -0.15 0.00 -1.71 0.00 0.00 55.69 52.52 1ade s MET 423 Cb -0.06 -3.32 0.18 0.00 2.01 0.00 0.00 34.83 33.65 1ade s MET 423 CO -0.05 -0.67 0.74 0.42 -0.01 0.00 0.00 175.02 175.46 1ade s ILE 424 N 1.31 5.40 -0.09 2.53 1.01 -1.26 -0.76 121.20 129.34 1ade s ILE 424 Ca -0.03 -2.09 0.29 0.00 0.00 0.00 0.00 60.65 58.82 1ade s ILE 424 Cb -0.20 -4.47 0.36 0.00 0.01 0.00 0.00 42.46 38.16 1ade s ILE 424 CO 0.00 -1.05 1.84 -0.07 0.00 0.00 0.00 174.94 175.67 1ade h LEU 425 N 8.40 0.00 0.00 2.97 3.38 -0.88 -3.41 115.31 125.77 1ade h LEU 425 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ade h LEU 425 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ade h LEU 425 CO 0.87 0.02 0.00 -1.14 0.09 0.00 0.00 178.44 178.28 1ade n ARG 426 N -3.11 4.09 -2.51 1.13 3.00 -1.01 -5.05 116.66 113.20 1ade n ARG 426 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.84 1ade n ARG 426 Cb 0.40 -0.46 -0.02 0.00 0.00 0.00 0.00 32.46 32.38 1ade n ARG 426 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ade n ASP 427 N -0.13 -4.50 -0.30 6.15 -0.08 -1.26 -4.42 116.55 112.01 1ade n ASP 427 Ca 0.00 1.44 0.23 0.00 -1.51 0.00 0.00 54.79 54.95 1ade n ASP 427 Cb 0.00 -4.29 0.53 0.00 2.34 0.00 0.00 41.12 39.69 1ade n ASP 427 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ade h PRO 428 N 4.32 0.36 0.00 -0.67 0.11 -1.95 -1.61 132.00 132.56 1ade h PRO 428 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1ade h PRO 428 Cb 0.52 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1ade h PRO 428 CO 0.00 0.24 0.00 1.19 -0.21 0.00 0.00 178.00 179.22 1ade n PHE 429 N -4.56 0.00 -0.12 0.65 3.72 -1.26 0.12 117.46 116.01 1ade n PHE 429 Ca 0.24 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.38 1ade n PHE 429 Cb 0.86 -0.44 -0.10 0.00 -0.94 0.00 0.00 39.48 38.86 1ade n PHE 429 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ade n ASP 430 N -1.44 1.91 0.00 4.37 9.92 -0.62 -3.72 116.55 126.97 1ade n ASP 430 Ca 0.07 0.38 0.02 0.00 -0.53 0.00 0.00 54.79 54.74 1ade n ASP 430 Cb 0.24 -0.89 0.13 0.00 -0.64 0.00 0.00 41.12 39.96 1ade n ASP 430 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33