#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a73 n LEU 3 N 0.00 2.06 -4.82 0.00 4.32 -1.26 -4.80 117.00 112.50 1a73 n LEU 3 Ca 0.00 0.31 -0.30 0.00 -0.02 0.00 0.00 56.01 56.00 1a73 n LEU 3 Cb 0.00 -0.89 0.08 0.00 -1.62 0.00 0.00 43.42 40.98 1a73 n LEU 3 CO 0.00 0.53 0.72 0.42 -1.22 0.00 0.00 177.39 177.84 1a73 s THR 4 N -2.47 3.28 0.16 -5.08 -4.23 -1.26 -4.89 115.64 101.15 1a73 s THR 4 Ca -0.34 0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1a73 s THR 4 Cb 0.11 -3.21 0.05 0.00 1.34 0.00 0.00 72.50 70.78 1a73 s THR 4 CO 0.55 -0.54 1.72 -1.13 -0.54 0.00 0.00 174.62 174.68 1a73 h ASN 5 N -0.95 0.71 -0.47 3.99 -1.24 -1.99 -1.06 115.58 114.56 1a73 h ASN 5 Ca -0.46 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 56.35 1a73 h ASN 5 Cb 1.26 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 40.10 1a73 h ASN 5 CO 0.60 0.67 0.17 0.00 -1.29 0.00 0.00 177.43 177.58 1a73 h ALA 6 N 1.07 1.31 -0.22 1.57 0.00 -1.99 -0.88 119.26 120.12 1a73 h ALA 6 Ca 0.18 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1a73 h ALA 6 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a73 h ALA 6 CO -0.02 0.50 -0.43 1.96 0.00 0.00 0.00 179.25 181.26 1a73 h GLN 7 N 0.76 0.54 -0.25 0.00 4.20 -1.79 -1.51 115.11 117.07 1a73 h GLN 7 Ca 0.18 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1a73 h GLN 7 Cb 0.22 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1a73 h GLN 7 CO -0.01 0.88 -0.15 0.82 -0.67 0.00 0.00 178.83 179.69 1a73 h ILE 8 N 0.44 1.31 -0.92 2.54 1.08 -0.81 -2.29 117.51 118.85 1a73 h ILE 8 Ca 0.03 -1.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.24 1a73 h ILE 8 Cb 0.94 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 36.24 1a73 h ILE 8 CO 0.08 0.39 0.57 -0.07 -0.69 0.00 0.00 178.15 178.43 1a73 h LEU 9 N 0.26 1.09 -1.13 1.44 3.38 -1.08 -0.93 115.31 118.34 1a73 h LEU 9 Ca 0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1a73 h LEU 9 Cb 0.67 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1a73 h LEU 9 CO 0.04 0.83 0.14 0.00 0.09 0.00 0.00 178.44 179.54 1a73 h ALA 10 N 1.31 1.30 -0.20 1.53 0.00 -1.15 0.63 119.26 122.68 1a73 h ALA 10 Ca 0.33 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1a73 h ALA 10 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1a73 h ALA 10 CO -0.06 0.50 -0.13 0.28 0.00 0.00 0.00 179.25 179.83 1a73 h VAL 11 N 0.73 1.32 -0.79 0.00 2.07 -0.75 -1.78 116.25 117.05 1a73 h VAL 11 Ca 0.17 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1a73 h VAL 11 Cb 0.25 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1a73 h VAL 11 CO -0.01 0.37 0.42 0.40 0.02 0.00 0.00 177.57 178.78 1a73 h ILE 12 N 0.13 1.24 -0.40 4.57 2.04 -0.90 -1.24 117.51 122.95 1a73 h ILE 12 Ca 0.04 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1a73 h ILE 12 Cb 0.64 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1a73 h ILE 12 CO 0.04 0.27 0.05 0.44 0.00 0.00 0.00 178.15 178.95 1a73 h ASP 13 N 1.10 0.64 0.47 1.72 3.32 -0.78 -0.13 116.42 122.76 1a73 h ASP 13 Ca 0.28 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1a73 h ASP 13 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1a73 h ASP 13 CO -0.04 0.75 -0.53 0.77 -1.72 0.00 0.00 179.24 178.48 1a73 h SER 14 N 0.51 0.07 -0.07 6.45 4.64 -1.17 -1.83 113.55 122.15 1a73 h SER 14 Ca 0.12 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1a73 h SER 14 Cb 0.39 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1a73 h SER 14 CO 0.01 0.58 0.01 -0.25 -0.87 0.00 0.00 176.83 176.32 1a73 h TRP 15 N 0.05 0.12 -1.01 4.77 7.01 -1.02 -2.14 115.95 123.74 1a73 h TRP 15 Ca -0.00 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1a73 h TRP 15 Cb 0.95 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.92 1a73 h TRP 15 CO 0.00 0.33 0.66 0.93 -2.79 0.00 0.00 178.44 177.57 1a73 h GLU 16 N -0.12 1.26 -0.36 2.65 5.08 -0.83 -0.54 114.58 121.73 1a73 h GLU 16 Ca 0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1a73 h GLU 16 Cb 0.27 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1a73 h GLU 16 CO 0.00 0.84 0.18 1.49 -1.00 0.00 0.00 179.01 180.52 1a73 h GLU 17 N 1.30 0.51 -0.08 2.33 4.57 -1.21 0.25 114.58 122.25 1a73 h GLU 17 Ca 0.39 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.47 1a73 h GLU 17 Cb -0.05 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1a73 h GLU 17 CO -0.11 0.45 -0.05 1.15 -1.18 0.00 0.00 179.01 179.26 1a73 h THR 18 N 0.44 1.34 -0.40 0.32 2.02 -1.03 -3.06 112.91 112.55 1a73 h THR 18 Ca 0.12 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 1a73 h THR 18 Cb 0.10 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1a73 h THR 18 CO -0.02 0.31 0.08 0.58 0.37 0.00 0.00 175.52 176.84 1a73 h VAL 19 N -0.23 1.19 0.00 3.16 2.07 -1.10 -1.08 116.25 120.26 1a73 h VAL 19 Ca 0.02 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1a73 h VAL 19 Cb 0.53 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1a73 h VAL 19 CO 0.01 0.25 0.05 1.23 0.02 0.00 0.00 177.57 179.14 1a73 h GLY 20 N 0.83 0.00 -2.18 2.17 0.00 -0.40 0.46 103.07 103.94 1a73 h GLY 20 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1a73 h GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1a73 n GLN 21 N -2.70 2.43 -2.33 4.80 1.13 -0.41 -4.96 117.38 115.34 1a73 n GLN 21 Ca -0.02 -2.18 -0.36 0.00 -1.94 0.00 0.00 57.00 52.49 1a73 n GLN 21 Cb 0.10 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 1a73 n GLN 21 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1a73 s PHE 22 N -1.59 2.90 0.19 1.08 0.08 0.15 -4.93 117.98 115.87 1a73 s PHE 22 Ca 0.35 1.56 -0.33 0.00 0.12 0.00 0.00 56.93 58.63 1a73 s PHE 22 Cb 0.22 -3.29 -0.13 0.00 -0.57 0.00 0.00 43.02 39.25 1a73 s PHE 22 CO 0.31 -1.31 1.55 -2.30 -0.10 0.00 0.00 175.22 173.37 1a73 n PRO 23 N -0.66 2.21 -3.27 0.24 -0.02 -1.25 -4.63 135.00 127.62 1a73 n PRO 23 Ca 0.08 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 1a73 n PRO 23 Cb 0.49 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 1a73 n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a73 s VAL 24 N 0.63 5.06 -0.14 -1.45 1.01 -1.26 -2.22 120.40 122.03 1a73 s VAL 24 Ca 0.75 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 1a73 s VAL 24 Cb -0.65 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1a73 s VAL 24 CO 0.41 -0.06 -0.07 -0.63 0.00 0.00 0.00 175.10 174.75 1a73 s ILE 25 N 2.31 3.60 -0.06 2.22 -1.09 -0.10 -4.94 121.20 123.14 1a73 s ILE 25 Ca 0.19 -0.46 -0.23 0.00 -2.23 0.00 0.00 60.65 57.91 1a73 s ILE 25 Cb -0.16 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1a73 s ILE 25 CO 0.11 0.51 0.68 -0.89 -1.23 0.00 0.00 174.94 174.12 1a73 s THR 26 N 0.30 5.04 -0.11 2.92 2.01 -1.26 -1.35 115.64 123.19 1a73 s THR 26 Ca -0.06 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.37 1a73 s THR 26 Cb -0.15 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1a73 s THR 26 CO 0.04 0.27 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.07 1a73 s HIS 27 N 0.70 2.15 -0.18 4.92 3.76 0.39 -4.98 115.29 122.06 1a73 s HIS 27 Ca 0.36 -1.02 -0.19 0.00 -0.15 0.00 0.00 55.06 54.07 1a73 s HIS 27 Cb -0.18 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 1a73 s HIS 27 CO 0.18 -0.50 0.52 -1.01 -0.85 0.00 0.00 174.74 173.08 1a73 s HIS 28 N 0.92 3.40 0.15 1.40 3.76 -1.26 -0.91 115.29 122.75 1a73 s HIS 28 Ca -0.07 0.82 0.06 0.00 -0.15 0.00 0.00 55.06 55.71 1a73 s HIS 28 Cb -0.15 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 1a73 s HIS 28 CO -0.01 -0.05 -0.12 0.14 -0.85 0.00 0.00 174.74 173.85 1a73 s VAL 29 N 1.44 1.32 0.22 -0.90 -7.23 -0.26 -4.96 120.40 110.04 1a73 s VAL 29 Ca 0.25 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 1a73 s VAL 29 Cb -0.15 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 1a73 s VAL 29 CO 0.10 -0.60 1.00 -2.16 -0.31 0.00 0.00 175.10 173.13 1a73 s PRO 30 N -3.33 4.75 0.00 4.82 0.04 -1.26 -0.17 135.00 139.85 1a73 s PRO 30 Ca 0.15 1.59 0.14 0.00 0.04 0.00 0.00 61.00 62.92 1a73 s PRO 30 Cb -0.01 -3.27 -0.14 0.00 0.04 0.00 0.00 34.50 31.12 1a73 s PRO 30 CO 0.03 0.34 0.58 1.28 0.04 0.00 0.00 177.00 179.27 1a73 n LEU 31 N 1.73 0.66 0.00 -3.56 4.77 -0.25 -0.98 117.00 119.38 1a73 n LEU 31 Ca -0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1a73 n LEU 31 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1a73 n LEU 31 CO 0.52 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1a73 n GLY 32 N 1.31 1.49 2.47 -0.72 0.00 -1.25 -0.92 105.19 107.58 1a73 n GLY 32 Ca 0.03 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 1a73 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a73 n GLY 33 N 1.74 0.54 2.67 -0.02 0.00 -1.17 -1.86 105.19 107.10 1a73 n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a73 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a73 n GLY 34 N -0.74 0.33 3.96 -0.02 0.00 -1.26 -5.00 105.19 102.46 1a73 n GLY 34 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1a73 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a73 s LEU 35 N 0.00 4.29 0.01 0.99 1.43 -0.78 -5.02 118.68 119.61 1a73 s LEU 35 Ca 0.00 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1a73 s LEU 35 Cb 0.00 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1a73 s LEU 35 CO 0.00 -0.06 -0.09 -1.58 0.23 0.00 0.00 176.35 174.85 1a73 s GLN 36 N -3.93 0.69 0.41 1.70 0.74 -1.26 -1.09 119.66 116.92 1a73 s GLN 36 Ca 0.34 -0.45 0.01 0.00 0.05 0.00 0.00 55.36 55.31 1a73 s GLN 36 Cb -0.09 -0.64 -0.00 0.00 1.10 0.00 0.00 33.01 33.37 1a73 s GLN 36 CO 0.29 0.17 0.04 0.41 -0.55 0.00 0.00 175.29 175.64 1a73 n GLY 37 N 2.48 3.57 2.96 2.59 0.00 0.76 -4.90 105.19 112.66 1a73 n GLY 37 Ca -0.16 -2.27 -0.26 0.00 0.00 0.00 0.00 46.02 43.33 1a73 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a73 s THR 38 N -2.65 1.10 0.07 2.61 2.01 -1.26 -1.10 115.64 116.41 1a73 s THR 38 Ca 0.05 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1a73 s THR 38 Cb 0.00 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1a73 s THR 38 CO 0.04 0.37 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.42 1a73 s LEU 39 N 1.27 2.74 -0.34 4.42 1.02 -0.08 -4.97 118.68 122.74 1a73 s LEU 39 Ca -0.03 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.70 1a73 s LEU 39 Cb -0.14 -1.60 0.09 0.00 0.02 0.00 0.00 46.19 44.56 1a73 s LEU 39 CO -0.04 0.23 0.07 -1.00 0.02 0.00 0.00 176.35 175.63 1a73 s HIS 40 N -1.03 3.56 -0.06 0.29 3.76 -1.26 -0.46 115.29 120.10 1a73 s HIS 40 Ca 0.17 -2.54 -0.15 0.00 -0.15 0.00 0.00 55.06 52.39 1a73 s HIS 40 Cb -0.11 -2.76 -0.05 0.00 1.11 0.00 0.00 32.58 30.77 1a73 s HIS 40 CO 0.08 -0.92 0.39 0.00 -0.85 0.00 0.00 174.74 173.44 1a73 s TYR 42 N -0.47 3.47 -0.18 0.00 1.51 -1.26 -0.93 117.35 119.50 1a73 s TYR 42 Ca 0.23 -1.73 -0.19 0.00 -1.01 0.00 0.00 57.07 54.37 1a73 s TYR 42 Cb -0.16 -3.72 -0.03 0.00 -0.11 0.00 0.00 41.96 37.94 1a73 s TYR 42 CO 0.11 -0.99 0.54 -1.21 -1.11 0.00 0.00 175.55 172.88 1a73 s GLU 43 N 0.94 4.23 0.31 -0.62 2.02 -0.94 -0.72 118.70 123.92 1a73 s GLU 43 Ca 0.10 0.47 -0.29 0.00 0.02 0.00 0.00 54.97 55.27 1a73 s GLU 43 Cb -0.22 -3.54 -0.10 0.00 0.10 0.00 0.00 34.13 30.37 1a73 s GLU 43 CO -0.02 -0.10 1.40 -1.50 0.02 0.00 0.00 175.26 175.05 1a73 s ILE 44 N 1.48 2.54 0.83 -1.63 2.07 -0.24 -3.93 121.20 122.31 1a73 s ILE 44 Ca 0.26 0.51 -0.14 0.00 -1.41 0.00 0.00 60.65 59.86 1a73 s ILE 44 Cb -0.16 -3.32 0.01 0.00 0.13 0.00 0.00 42.46 39.12 1a73 s ILE 44 CO 0.10 0.11 0.59 -2.65 -1.91 0.00 0.00 174.94 171.18 1a73 n PRO 45 N 1.27 0.05 0.19 3.50 -0.02 -1.26 -4.91 135.00 133.82 1a73 n PRO 45 Ca 0.03 0.07 0.06 0.00 -2.02 0.00 0.00 63.50 61.64 1a73 n PRO 45 Cb 0.41 -1.94 0.30 0.00 -0.02 0.00 0.00 33.50 32.24 1a73 n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a73 h LEU 46 N -0.92 0.00 -8.10 2.45 3.38 -1.93 -3.46 115.31 106.72 1a73 h LEU 46 Ca -0.45 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1a73 h LEU 46 Cb 1.31 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.92 1a73 h LEU 46 CO 0.40 0.36 -0.47 0.00 0.09 0.00 0.00 178.44 178.82 1a73 s ALA 47 N -3.47 0.20 0.49 1.53 0.00 -1.26 -5.15 121.76 114.10 1a73 s ALA 47 Ca 0.01 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.76 1a73 s ALA 47 Cb 0.10 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 1a73 s ALA 47 CO 0.69 -0.52 1.35 0.00 0.00 0.00 0.00 175.76 177.28 1a73 s ALA 48 N -3.94 3.03 0.33 0.00 0.00 -1.26 -4.23 121.76 115.69 1a73 s ALA 48 Ca 0.13 1.32 -0.23 0.00 0.00 0.00 0.00 51.96 53.18 1a73 s ALA 48 Cb 0.05 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 1a73 s ALA 48 CO -0.05 -1.17 0.90 -1.25 0.00 0.00 0.00 175.76 174.19 1a73 s PRO 49 N -2.65 4.43 -0.14 0.00 0.04 -1.26 -5.14 135.00 130.29 1a73 s PRO 49 Ca 0.65 1.18 0.10 0.00 0.04 0.00 0.00 61.00 62.98 1a73 s PRO 49 Cb -0.40 -2.66 -0.23 0.00 0.04 0.00 0.00 34.50 31.24 1a73 s PRO 49 CO 0.49 0.23 0.29 0.66 0.04 0.00 0.00 177.00 178.71 1a73 n TYR 50 N 0.29 0.56 0.00 0.56 4.01 -1.26 -4.81 117.16 116.50 1a73 n TYR 50 Ca 0.02 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1a73 n TYR 50 Cb 0.51 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.45 1a73 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a73 n GLY 51 N 1.79 4.05 3.64 2.72 0.00 -1.26 -4.56 105.19 111.57 1a73 n GLY 51 Ca -0.29 -1.14 -0.51 0.00 0.00 0.00 0.00 46.02 44.07 1a73 n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a73 n VAL 52 N -1.61 0.41 -0.04 1.61 0.31 -1.26 -0.83 118.33 116.92 1a73 n VAL 52 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1a73 n VAL 52 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1a73 n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a73 n GLY 53 N 4.85 0.75 3.78 2.92 0.00 -1.26 -4.97 105.19 111.27 1a73 n GLY 53 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1a73 n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a73 s PHE 54 N -2.30 3.37 -0.07 1.61 0.08 -0.01 -0.22 117.98 120.45 1a73 s PHE 54 Ca 0.00 0.35 -0.12 0.00 0.12 0.00 0.00 56.93 57.28 1a73 s PHE 54 Cb 0.00 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1a73 s PHE 54 CO 0.00 0.60 0.30 0.00 -0.10 0.00 0.00 175.22 176.02 1a73 s ALA 55 N -0.98 -0.74 -0.19 5.36 0.00 -0.92 -4.53 121.76 119.76 1a73 s ALA 55 Ca 0.15 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 1a73 s ALA 55 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1a73 s ALA 55 CO 0.04 -0.20 0.66 0.21 0.00 0.00 0.00 175.76 176.48 1a73 s LYS 56 N -0.55 4.22 0.00 0.00 2.20 -1.26 -0.88 119.74 123.47 1a73 s LYS 56 Ca -0.07 0.69 0.18 0.00 -0.36 0.00 0.00 55.97 56.40 1a73 s LYS 56 Cb -0.04 -3.58 0.08 0.00 -1.51 0.00 0.00 37.83 32.79 1a73 s LYS 56 CO 0.02 -0.26 1.00 0.27 -0.36 0.00 0.00 175.35 176.02 1a73 n ASN 57 N 5.10 2.18 -3.65 1.43 6.94 -0.61 -4.96 115.26 121.68 1a73 n ASN 57 Ca -0.00 -1.59 -0.08 0.00 -0.02 0.00 0.00 54.58 52.89 1a73 n ASN 57 Cb 0.49 0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 38.08 1a73 n ASN 57 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1a73 s GLY 58 N -1.68 -0.34 0.30 4.83 0.00 -0.99 -4.93 107.32 104.51 1a73 s GLY 58 Ca 0.18 0.24 0.05 0.00 0.00 0.00 0.00 44.72 45.20 1a73 s GLY 58 CO 0.30 0.08 1.63 -2.55 0.00 0.00 0.00 173.10 172.56 1a73 h PRO 59 N 2.00 0.16 -0.66 2.90 0.11 -2.03 -2.38 132.00 132.10 1a73 h PRO 59 Ca -0.25 -0.01 -0.36 0.00 0.11 0.00 0.00 66.00 65.50 1a73 h PRO 59 Cb 1.26 -0.04 -0.41 0.00 0.11 0.00 0.00 31.00 31.93 1a73 h PRO 59 CO 0.29 0.11 -1.03 0.25 -0.21 0.00 0.00 178.00 177.41 1a73 n THR 60 N -5.26 1.61 -4.48 -1.15 -2.24 -1.26 -5.05 114.28 96.45 1a73 n THR 60 Ca 0.24 -3.39 -0.21 0.00 -2.27 0.00 0.00 64.05 58.43 1a73 n THR 60 Cb 0.78 0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 1a73 n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a73 s ARG 61 N -3.65 1.00 0.08 -0.78 1.81 -0.90 -4.96 118.95 111.57 1a73 s ARG 61 Ca 0.34 -0.38 -0.01 0.00 -1.72 0.00 0.00 55.73 53.96 1a73 s ARG 61 Cb 0.37 -0.95 -0.04 0.00 -0.45 0.00 0.00 34.95 33.88 1a73 s ARG 61 CO -0.02 0.19 0.00 -1.58 -0.68 0.00 0.00 175.30 173.22 1a73 s TRP 62 N -0.06 0.66 0.03 -0.53 0.51 -1.26 -1.58 118.94 116.70 1a73 s TRP 62 Ca 0.01 -1.13 0.03 0.00 -2.12 0.00 0.00 56.10 52.88 1a73 s TRP 62 Cb -0.07 -0.43 -0.02 0.00 -0.81 0.00 0.00 33.47 32.15 1a73 s TRP 62 CO 0.00 -0.43 -0.09 -0.65 -0.51 0.00 0.00 176.95 175.28 1a73 s GLN 63 N -3.97 0.59 -0.19 4.98 -0.21 -0.06 -1.02 119.66 119.79 1a73 s GLN 63 Ca 0.14 -0.58 -0.06 0.00 0.02 0.00 0.00 55.36 54.87 1a73 s GLN 63 Cb 0.08 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 33.57 1a73 s GLN 63 CO -0.05 0.11 0.03 -0.47 -2.12 0.00 0.00 175.29 172.79 1a73 s TYR 64 N -0.87 3.14 -0.04 0.91 5.04 0.13 -2.17 117.35 123.49 1a73 s TYR 64 Ca -0.04 -0.16 0.07 0.00 -2.44 0.00 0.00 57.07 54.50 1a73 s TYR 64 Cb -0.07 -2.07 -0.01 0.00 0.35 0.00 0.00 41.96 40.16 1a73 s TYR 64 CO 0.00 -0.02 -0.25 0.21 -1.34 0.00 0.00 175.55 174.16 1a73 s LYS 65 N 0.61 2.34 -0.01 4.97 2.20 0.69 -1.24 119.74 129.30 1a73 s LYS 65 Ca 0.01 -0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 54.71 1a73 s LYS 65 Cb -0.14 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1a73 s LYS 65 CO 0.02 0.44 0.02 1.03 -0.36 0.00 0.00 175.35 176.50 1a73 s ARG 66 N -0.33 0.02 -0.36 4.03 1.81 -0.04 -4.60 118.95 119.48 1a73 s ARG 66 Ca 0.02 0.03 -0.13 0.00 -1.72 0.00 0.00 55.73 53.92 1a73 s ARG 66 Cb -0.12 0.01 -0.00 0.00 -0.45 0.00 0.00 34.95 34.39 1a73 s ARG 66 CO 0.02 -0.00 0.25 0.99 -0.68 0.00 0.00 175.30 175.88 1a73 s THR 67 N 0.01 5.17 0.00 0.02 2.01 -1.26 0.28 115.64 121.87 1a73 s THR 67 Ca -0.00 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1a73 s THR 67 Cb -0.00 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.76 1a73 s THR 67 CO 0.00 -0.13 0.00 -0.38 -0.69 0.00 0.00 174.62 173.42 1a73 n ILE 68 N 5.11 0.00 -2.82 1.82 2.08 -0.63 -4.66 119.36 120.26 1a73 n ILE 68 Ca -0.12 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.77 1a73 n ILE 68 Cb 0.48 -0.46 0.02 0.00 -0.75 0.00 0.00 39.64 38.93 1a73 n ILE 68 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1a73 n ASN 69 N -0.52 6.92 0.00 4.38 5.03 -1.26 -4.63 115.26 125.17 1a73 n ASN 69 Ca 0.00 -3.56 0.00 0.00 0.87 0.00 0.00 54.58 51.89 1a73 n ASN 69 Cb 0.00 -1.22 0.00 0.00 -1.02 0.00 0.00 39.78 37.54 1a73 n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a73 n GLN 70 N 0.61 0.00 -4.43 3.52 6.02 -1.26 -4.96 117.38 116.88 1a73 n GLN 70 Ca 0.37 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 57.02 1a73 n GLN 70 Cb 0.29 -3.61 -0.13 0.00 1.02 0.00 0.00 30.24 27.82 1a73 n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1a73 s VAL 71 N -2.18 3.66 0.03 5.09 0.11 -1.26 -5.07 120.40 120.79 1a73 s VAL 71 Ca 0.00 -0.43 -0.27 0.00 -2.93 0.00 0.00 61.98 58.34 1a73 s VAL 71 Cb 0.00 -2.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 1a73 s VAL 71 CO 0.00 0.49 0.86 0.68 -3.33 0.00 0.00 175.10 173.80 1a73 s VAL 72 N 0.48 4.77 -0.02 2.04 -7.23 -1.26 -1.60 120.40 117.59 1a73 s VAL 72 Ca -0.05 1.83 0.04 0.00 -1.81 0.00 0.00 61.98 62.00 1a73 s VAL 72 Cb -0.15 -4.21 -0.03 0.00 0.56 0.00 0.00 36.38 32.55 1a73 s VAL 72 CO 0.03 0.27 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.96 1a73 s HIS 73 N 0.43 2.71 0.01 2.82 3.76 0.14 -4.97 115.29 120.19 1a73 s HIS 73 Ca 0.44 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 1a73 s HIS 73 Cb -0.21 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 1a73 s HIS 73 CO 0.25 0.24 -0.04 0.50 -0.85 0.00 0.00 174.74 174.85 1a73 s ARG 74 N -1.04 0.29 0.05 1.40 3.52 -1.26 -0.86 118.95 121.05 1a73 s ARG 74 Ca 0.13 -0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.35 1a73 s ARG 74 Cb -0.11 -0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.12 1a73 s ARG 74 CO 0.03 0.02 0.00 -1.58 -0.81 0.00 0.00 175.30 172.97 1a73 s TRP 75 N -0.70 0.44 0.35 5.12 0.51 -0.38 -4.98 118.94 119.30 1a73 s TRP 75 Ca -0.06 -0.94 -0.29 0.00 -2.12 0.00 0.00 56.10 52.70 1a73 s TRP 75 Cb -0.05 -0.32 -0.11 0.00 -0.81 0.00 0.00 33.47 32.18 1a73 s TRP 75 CO -0.00 -0.38 1.47 0.20 -0.51 0.00 0.00 176.95 177.73 1a73 s GLY 76 N -2.75 2.77 0.55 0.98 0.00 -1.26 -0.69 107.32 106.90 1a73 s GLY 76 Ca 0.04 1.51 0.27 0.00 0.00 0.00 0.00 44.72 46.54 1a73 s GLY 76 CO -0.09 2.26 1.97 1.48 0.00 0.00 0.00 173.10 178.72 1a73 h SER 77 N 3.52 0.00 0.22 1.64 4.64 -1.37 -1.53 113.55 120.68 1a73 h SER 77 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1a73 h SER 77 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1a73 h SER 77 CO 0.68 0.00 -0.48 1.41 -0.87 0.00 0.00 176.83 177.57 1a73 n HIS 78 N -4.21 0.00 0.13 4.77 8.25 -1.26 -4.32 115.22 118.57 1a73 n HIS 78 Ca 0.10 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.62 1a73 n HIS 78 Cb 0.65 -0.11 0.04 0.00 1.12 0.00 0.00 29.99 31.69 1a73 n HIS 78 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1a73 h THR 79 N 0.96 0.48 -0.73 1.59 1.35 -1.64 -3.39 112.91 111.53 1a73 h THR 79 Ca 0.00 -1.74 0.16 0.00 -0.55 0.00 0.00 66.41 64.29 1a73 h THR 79 Cb 0.55 2.13 -0.12 0.00 -1.73 0.00 0.00 68.15 68.99 1a73 h THR 79 CO 0.00 0.28 0.11 0.58 -0.25 0.00 0.00 175.52 176.23 1a73 h VAL 80 N 0.00 0.45 -0.17 6.82 2.07 -1.75 -1.17 116.25 122.50 1a73 h VAL 80 Ca -0.03 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1a73 h VAL 80 Cb 1.28 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1a73 h VAL 80 CO 0.04 0.04 0.31 -0.65 0.02 0.00 0.00 177.57 177.32 1a73 h PRO 81 N 0.19 0.00 -0.45 1.57 0.11 -1.91 -2.40 132.00 129.12 1a73 h PRO 81 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1a73 h PRO 81 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1a73 h PRO 81 CO -0.57 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.41 1a73 n PHE 82 N -3.37 1.24 0.12 0.65 3.72 -0.44 -4.65 117.46 114.74 1a73 n PHE 82 Ca 0.02 -0.71 0.19 0.00 -0.05 0.00 0.00 57.45 56.90 1a73 n PHE 82 Cb 0.41 -0.29 0.77 0.00 -0.94 0.00 0.00 39.48 39.43 1a73 n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1a73 h LEU 83 N 2.92 0.00 -1.28 4.37 4.07 -1.49 -0.20 115.31 123.71 1a73 h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1a73 h LEU 83 Cb 1.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.18 1a73 h LEU 83 CO 0.24 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.78 1a73 n LEU 84 N -3.74 1.98 -4.95 1.67 4.32 -1.26 -4.94 117.00 110.08 1a73 n LEU 84 Ca 0.06 -0.69 -0.24 0.00 -0.02 0.00 0.00 56.01 55.12 1a73 n LEU 84 Cb 0.54 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1a73 n LEU 84 CO 0.27 0.34 0.10 -1.61 -1.22 0.00 0.00 177.39 175.28 1a73 s GLU 85 N -1.96 3.48 0.45 3.23 0.41 -0.09 -5.05 118.70 119.17 1a73 s GLU 85 Ca 0.35 -0.43 -0.24 0.00 -0.41 0.00 0.00 54.97 54.23 1a73 s GLU 85 Cb 0.20 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.72 1a73 s GLU 85 CO 0.32 0.25 1.22 -2.30 -0.49 0.00 0.00 175.26 174.26 1a73 n PRO 86 N -1.53 1.75 -0.18 0.39 -0.02 -1.26 -4.88 135.00 129.27 1a73 n PRO 86 Ca -0.06 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1a73 n PRO 86 Cb 0.56 -2.34 0.25 0.00 -0.02 0.00 0.00 33.50 31.94 1a73 n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1a73 n ASP 87 N 0.03 2.25 -3.85 2.55 5.68 -1.26 -4.86 116.55 117.09 1a73 n ASP 87 Ca 0.08 -1.92 -0.10 0.00 -0.50 0.00 0.00 54.79 52.36 1a73 n ASP 87 Cb 0.41 -0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 1a73 n ASP 87 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a73 s ASN 88 N -1.21 -0.08 -0.19 -1.12 2.20 -1.26 -1.43 114.94 111.85 1a73 s ASN 88 Ca 0.31 -0.67 -0.05 0.00 -0.94 0.00 0.00 52.86 51.51 1a73 s ASN 88 Cb 0.17 0.48 0.10 0.00 -2.00 0.00 0.00 41.25 39.99 1a73 s ASN 88 CO 0.23 -0.93 0.35 -0.51 -2.94 0.00 0.00 177.10 173.30 1a73 s ILE 89 N -3.91 -0.55 -1.50 0.54 1.10 0.14 -4.84 121.20 112.17 1a73 s ILE 89 Ca 0.12 0.11 -0.06 0.00 -0.51 0.00 0.00 60.65 60.31 1a73 s ILE 89 Cb 0.02 -0.65 0.02 0.00 0.15 0.00 0.00 42.46 41.99 1a73 s ILE 89 CO -0.03 0.01 0.69 0.59 -2.11 0.00 0.00 174.94 174.09 1a73 n ASN 90 N 5.37 -5.88 -0.03 4.50 5.03 -1.26 -1.61 115.26 121.39 1a73 n ASN 90 Ca -0.06 -0.35 -0.00 0.00 0.87 0.00 0.00 54.58 55.03 1a73 n ASN 90 Cb 0.50 -4.73 -0.00 0.00 -1.02 0.00 0.00 39.78 34.52 1a73 n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a73 n GLY 91 N -1.57 0.46 3.43 7.41 0.00 -1.26 -5.03 105.19 108.64 1a73 n GLY 91 Ca -0.08 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1a73 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a73 s LYS 92 N -0.54 2.61 0.29 1.61 1.02 -0.63 -5.10 119.74 118.99 1a73 s LYS 92 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 1a73 s LYS 92 Cb 0.00 -2.37 -0.10 0.00 -0.52 0.00 0.00 37.83 34.84 1a73 s LYS 92 CO 0.00 0.54 1.37 0.99 -0.92 0.00 0.00 175.35 177.33 1a73 s THR 93 N -0.52 2.71 0.20 2.17 2.01 -1.26 -0.68 115.64 120.27 1a73 s THR 93 Ca 0.07 0.65 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 1a73 s THR 93 Cb -0.12 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 1a73 s THR 93 CO 0.01 0.13 0.89 0.00 -0.69 0.00 0.00 174.62 174.96 1a73 s THR 95 N -1.03 0.98 -0.32 0.00 -4.23 0.16 -4.88 115.64 106.32 1a73 s THR 95 Ca 0.40 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 59.02 1a73 s THR 95 Cb -0.25 -1.32 -0.00 0.00 1.34 0.00 0.00 72.50 72.27 1a73 s THR 95 CO 0.30 -0.51 1.46 0.00 -0.54 0.00 0.00 174.62 175.34 1a73 s ALA 96 N -2.27 3.18 -0.24 3.99 0.00 -1.26 -1.88 121.76 123.28 1a73 s ALA 96 Ca 0.05 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1a73 s ALA 96 Cb -0.04 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 1a73 s ALA 96 CO 0.01 -2.11 0.06 0.45 0.00 0.00 0.00 175.76 174.17 1a73 s SER 97 N 3.86 5.13 -0.50 0.00 0.15 0.36 -4.96 113.70 117.74 1a73 s SER 97 Ca 0.64 -0.19 -0.26 0.00 0.70 0.00 0.00 55.95 56.83 1a73 s SER 97 Cb -0.18 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1a73 s SER 97 CO 0.29 -0.02 1.00 -1.00 1.20 0.00 0.00 173.24 174.71 1a73 s HIS 98 N 1.52 2.84 0.20 3.44 3.76 -1.26 -1.46 115.29 124.32 1a73 s HIS 98 Ca 0.06 0.37 0.33 0.00 -0.15 0.00 0.00 55.06 55.67 1a73 s HIS 98 Cb -0.15 -4.15 1.43 0.00 1.11 0.00 0.00 32.58 30.82 1a73 s HIS 98 CO 0.03 -1.24 2.01 -0.07 -0.85 0.00 0.00 174.74 174.63 1a73 h LEU 99 N 10.94 0.00 -1.16 0.89 4.07 -0.90 -2.00 115.31 127.14 1a73 h LEU 99 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1a73 h LEU 99 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1a73 h LEU 99 CO 1.08 0.05 -0.17 0.00 -1.08 0.00 0.00 178.44 178.31 1a73 n HIS 101 N 0.30 -1.90 -3.82 0.00 8.25 -0.75 -4.92 115.22 112.37 1a73 n HIS 101 Ca 0.14 0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 57.94 1a73 n HIS 101 Cb 0.45 -3.22 -0.14 0.00 1.12 0.00 0.00 29.99 28.20 1a73 n HIS 101 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a73 s ASN 102 N -2.97 4.13 0.27 0.41 2.47 -1.26 -5.03 114.94 112.96 1a73 s ASN 102 Ca 0.54 -2.20 0.00 0.00 0.42 0.00 0.00 52.86 51.62 1a73 s ASN 102 Cb -0.28 -1.18 0.59 0.00 -1.45 0.00 0.00 41.25 38.93 1a73 s ASN 102 CO 0.66 -0.34 1.72 0.74 -3.72 0.00 0.00 177.10 176.15 1a73 h THR 103 N 6.05 0.58 0.00 -5.21 2.02 -1.97 -0.24 112.91 114.14 1a73 h THR 103 Ca -0.07 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1a73 h THR 103 Cb 0.98 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1a73 h THR 103 CO 0.51 0.08 0.00 0.54 0.37 0.00 0.00 175.52 177.02 1a73 n ARG 104 N -5.00 0.16 -2.46 6.66 1.74 -1.26 -4.74 116.66 111.76 1a73 n ARG 104 Ca 0.18 0.41 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 1a73 n ARG 104 Cb 0.53 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1a73 n ARG 104 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a73 n HIS 106 N 2.29 0.00 -1.92 0.00 8.25 0.10 -4.95 115.22 118.99 1a73 n HIS 106 Ca 0.03 -0.72 -0.43 0.00 -0.26 0.00 0.00 57.72 56.34 1a73 n HIS 106 Cb 0.46 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 1a73 n HIS 106 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a73 s ASN 107 N -2.00 6.26 0.46 0.41 3.84 -1.26 -4.85 114.94 117.81 1a73 s ASN 107 Ca 0.18 1.96 0.32 0.00 0.21 0.00 0.00 52.86 55.52 1a73 s ASN 107 Cb 0.15 -2.53 1.58 0.00 -0.55 0.00 0.00 41.25 39.90 1a73 s ASN 107 CO 0.02 -1.30 1.96 1.55 -2.79 0.00 0.00 177.10 176.53 1a73 h PRO 108 N 11.34 0.00 -0.00 0.43 0.13 -1.95 0.14 132.00 142.09 1a73 h PRO 108 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1a73 h PRO 108 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a73 h PRO 108 CO 0.98 0.00 -0.01 1.28 -0.23 0.00 0.00 178.00 180.01 1a73 n LEU 109 N -2.67 0.18 -0.29 1.56 4.77 -1.26 -2.77 117.00 116.51 1a73 n LEU 109 Ca -0.01 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1a73 n LEU 109 Cb 0.13 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1a73 n LEU 109 CO 0.18 0.03 0.56 1.41 -1.33 0.00 0.00 177.39 178.24 1a73 n HIS 110 N -0.98 0.22 -4.51 -1.77 8.25 0.50 -5.01 115.22 111.91 1a73 n HIS 110 Ca 0.20 -0.53 -0.25 0.00 -0.26 0.00 0.00 57.72 56.88 1a73 n HIS 110 Cb 0.19 -0.05 -0.14 0.00 1.12 0.00 0.00 29.99 31.11 1a73 n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a73 s LEU 111 N -1.11 2.21 0.17 2.41 1.43 -1.12 -0.13 118.68 122.55 1a73 s LEU 111 Ca 0.12 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1a73 s LEU 111 Cb 0.07 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1a73 s LEU 111 CO 0.07 0.12 0.05 0.00 0.23 0.00 0.00 176.35 176.82 1a73 s TRP 113 N -3.90 3.35 0.30 0.00 -0.00 -1.26 -0.49 118.94 116.93 1a73 s TRP 113 Ca 0.28 -2.20 -0.12 0.00 -0.00 0.00 0.00 56.10 54.05 1a73 s TRP 113 Cb 0.07 -2.22 0.01 0.00 -0.00 0.00 0.00 33.47 31.33 1a73 s TRP 113 CO 0.05 -0.86 0.56 -1.83 -0.00 0.00 0.00 176.95 174.88 1a73 s GLU 114 N 1.15 1.77 0.86 5.86 -1.05 -0.79 -4.84 118.70 121.67 1a73 s GLU 114 Ca -0.04 -1.35 -0.12 0.00 -0.15 0.00 0.00 54.97 53.31 1a73 s GLU 114 Cb -0.20 0.51 0.10 0.00 -0.44 0.00 0.00 34.13 34.10 1a73 s GLU 114 CO -0.03 -0.77 1.08 -1.13 0.95 0.00 0.00 175.26 175.36 1a73 n SER 115 N -0.78 0.38 0.09 0.83 3.41 -1.26 0.40 113.62 116.70 1a73 n SER 115 Ca -0.03 0.49 0.03 0.00 -0.26 0.00 0.00 58.87 59.11 1a73 n SER 115 Cb 0.61 -1.46 0.43 0.00 -0.26 0.00 0.00 64.21 63.53 1a73 n SER 115 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1a73 h LEU 116 N -1.37 0.29 -0.35 1.04 5.85 -1.93 -0.77 115.31 118.07 1a73 h LEU 116 Ca -0.45 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1a73 h LEU 116 Cb 1.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1a73 h LEU 116 CO 0.43 0.33 0.06 0.44 -0.34 0.00 0.00 178.44 179.35 1a73 h ASP 117 N 0.31 0.56 -0.69 1.25 3.32 -1.94 0.83 116.42 120.07 1a73 h ASP 117 Ca 0.07 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1a73 h ASP 117 Cb 0.19 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1a73 h ASP 117 CO 0.00 0.67 0.19 0.44 -1.72 0.00 0.00 179.24 178.83 1a73 h ASP 118 N 0.42 1.02 0.66 6.45 3.32 -1.79 -0.68 116.42 125.81 1a73 h ASP 118 Ca 0.11 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1a73 h ASP 118 Cb 0.35 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1a73 h ASP 118 CO 0.01 0.97 -0.41 -1.13 -1.72 0.00 0.00 179.24 176.96 1a73 h ASN 119 N 1.01 -1.03 -0.48 6.45 -0.73 -0.94 -3.02 115.58 116.85 1a73 h ASN 119 Ca 0.22 0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.48 1a73 h ASN 119 Cb 0.33 0.30 -0.04 0.00 0.27 0.00 0.00 38.32 39.19 1a73 h ASN 119 CO -0.00 -0.63 0.26 0.11 -0.37 0.00 0.00 177.43 176.79 1a73 h LYS 120 N -1.01 0.50 -0.77 6.67 1.57 -0.72 -2.90 116.57 119.91 1a73 h LYS 120 Ca -0.08 -0.03 0.22 0.00 -1.87 0.00 0.00 60.65 58.89 1a73 h LYS 120 Cb 0.82 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1a73 h LYS 120 CO 0.08 0.33 0.60 0.78 -0.57 0.00 0.00 179.45 180.67 1a73 h GLY 121 N 0.52 0.00 2.00 3.86 0.00 -1.01 0.23 103.07 108.67 1a73 h GLY 121 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1a73 h GLY 121 CO -0.12 0.00 -0.00 3.21 0.00 0.00 0.00 176.54 179.63 1a73 h ARG 122 N 0.00 0.00 -0.05 4.80 3.08 -1.39 -1.93 114.38 118.89 1a73 h ARG 122 Ca 0.36 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.43 1a73 h ARG 122 Cb 1.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.61 1a73 h ARG 122 CO -0.00 0.00 0.04 -0.91 -1.07 0.00 0.00 179.97 178.03 1a73 h ASN 123 N 0.00 0.00 -0.34 7.04 2.35 -1.12 -2.61 115.58 120.90 1a73 h ASN 123 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a73 h ASN 123 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1a73 h ASN 123 CO 0.00 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.57 1a73 n TRP 124 N -4.17 0.45 -2.25 1.19 8.01 -0.73 -1.14 117.44 118.80 1a73 n TRP 124 Ca -0.02 -0.43 -0.41 0.00 -1.31 0.00 0.00 57.50 55.34 1a73 n TRP 124 Cb 0.14 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.39 1a73 n TRP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a73 h PRO 126 N 4.07 0.00 0.00 0.00 0.13 -1.90 0.16 132.00 134.45 1a73 h PRO 126 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1a73 h PRO 126 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1a73 h PRO 126 CO 0.69 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 1a73 n GLY 127 N -0.89 2.18 0.33 1.56 0.00 -1.26 -3.98 105.19 103.14 1a73 n GLY 127 Ca -0.02 -2.00 0.18 0.00 0.00 0.00 0.00 46.02 44.18 1a73 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a73 h PRO 128 N 0.00 0.00 -0.09 1.61 0.13 -1.69 -0.40 132.00 131.56 1a73 h PRO 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a73 h PRO 128 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a73 h PRO 128 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 1a73 n ASN 129 N -3.48 2.31 -0.02 1.44 4.13 -0.10 -4.61 115.26 114.92 1a73 n ASN 129 Ca -0.01 -2.10 0.01 0.00 1.68 0.00 0.00 54.58 54.16 1a73 n ASN 129 Cb 0.22 -0.10 0.01 0.00 -1.54 0.00 0.00 39.78 38.37 1a73 n ASN 129 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a73 n GLY 130 N -0.30 2.24 0.00 7.41 0.00 -0.63 -3.02 105.19 110.89 1a73 n GLY 130 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1a73 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a73 n GLY 131 N -0.50 1.43 3.66 -0.02 0.00 -1.09 -4.68 105.19 103.99 1a73 n GLY 131 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1a73 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a73 n VAL 133 N 3.38 1.23 -1.95 0.00 0.24 -1.26 -4.94 118.33 115.02 1a73 n VAL 133 Ca 0.17 -1.22 -0.42 0.00 -2.04 0.00 0.00 64.34 60.84 1a73 n VAL 133 Cb 0.28 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 1a73 n VAL 133 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1a73 s HIS 134 N -1.38 3.04 0.25 6.34 3.76 -1.26 -4.89 115.29 121.14 1a73 s HIS 134 Ca 0.18 0.76 -0.05 0.00 -0.15 0.00 0.00 55.06 55.80 1a73 s HIS 134 Cb 0.12 -3.90 0.31 0.00 1.11 0.00 0.00 32.58 30.22 1a73 s HIS 134 CO 0.08 -3.19 1.90 0.00 -0.85 0.00 0.00 174.74 172.68 1a73 h ALA 135 N 6.17 1.26 -2.11 -1.40 0.00 -2.05 -3.14 119.26 118.00 1a73 h ALA 135 Ca -0.44 -0.04 -0.76 0.00 0.00 0.00 0.00 54.91 53.67 1a73 h ALA 135 Cb 1.21 -0.33 -0.24 0.00 0.00 0.00 0.00 17.79 18.42 1a73 h ALA 135 CO 0.87 0.49 -0.21 0.08 0.00 0.00 0.00 179.25 180.48 1a73 s VAL 136 N -6.09 5.22 0.53 0.00 1.01 -1.26 -5.03 120.40 114.78 1a73 s VAL 136 Ca -0.13 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 60.11 1a73 s VAL 136 Cb 0.18 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1a73 s VAL 136 CO 0.81 -0.87 1.27 0.55 0.00 0.00 0.00 175.10 176.85 1a73 n VAL 137 N 5.22 3.57 -2.00 2.92 3.14 -1.19 -5.00 118.33 124.99 1a73 n VAL 137 Ca -0.13 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.41 1a73 n VAL 137 Cb 0.40 -1.55 0.02 0.00 -1.06 0.00 0.00 33.84 31.65 1a73 n VAL 137 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a73 n LEU 139 N -2.01 0.61 -3.80 0.00 4.77 -1.26 -4.33 117.00 110.97 1a73 n LEU 139 Ca 0.10 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 1a73 n LEU 139 Cb 0.52 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1a73 n LEU 139 CO 0.46 0.03 0.57 0.00 -1.33 0.00 0.00 177.39 177.13 1a73 s ARG 140 N -3.21 1.53 0.23 3.23 1.04 -1.26 -4.85 118.95 115.66 1a73 s ARG 140 Ca 0.03 -0.83 -0.30 0.00 -1.04 0.00 0.00 55.73 53.59 1a73 s ARG 140 Cb 0.14 0.53 -0.09 0.00 -2.04 0.00 0.00 34.95 33.49 1a73 s ARG 140 CO 0.80 -0.70 1.26 -1.14 -0.04 0.00 0.00 175.30 175.49 1a73 s GLN 141 N -3.65 4.43 0.58 3.89 0.74 -0.15 -4.40 119.66 121.10 1a73 s GLN 141 Ca 0.11 2.02 -0.20 0.00 0.05 0.00 0.00 55.36 57.34 1a73 s GLN 141 Cb -0.04 -3.18 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 1a73 s GLN 141 CO 0.04 -0.15 1.24 0.41 -0.55 0.00 0.00 175.29 176.28 1a73 n GLY 142 N 1.93 0.44 0.28 2.59 0.00 0.56 -4.85 105.19 106.13 1a73 n GLY 142 Ca 0.04 -0.05 0.19 0.00 0.00 0.00 0.00 46.02 46.19 1a73 n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a73 h PRO 143 N 0.98 0.00 -0.14 1.61 0.11 -1.80 -2.73 132.00 130.04 1a73 h PRO 143 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a73 h PRO 143 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1a73 h PRO 143 CO 0.55 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.62 1a73 n LEU 144 N -2.89 2.91 -4.78 2.35 4.32 -0.29 -4.97 117.00 113.66 1a73 n LEU 144 Ca -0.01 -1.18 -0.41 0.00 -0.02 0.00 0.00 56.01 54.39 1a73 n LEU 144 Cb 0.15 -0.08 -0.01 0.00 -1.62 0.00 0.00 43.42 41.86 1a73 n LEU 144 CO 0.21 0.55 1.07 -0.47 -1.22 0.00 0.00 177.39 177.53 1a73 s TYR 145 N -1.59 2.79 -5.00 -1.77 6.14 -1.03 -4.82 117.35 112.06 1a73 s TYR 145 Ca 0.28 1.28 0.00 0.00 0.64 0.00 0.00 57.07 59.26 1a73 s TYR 145 Cb 0.18 -3.87 0.00 0.00 0.42 0.00 0.00 41.96 38.69 1a73 s TYR 145 CO 0.27 -2.50 0.00 0.41 0.64 0.00 0.00 175.55 174.37 1a73 n GLY 146 N 0.61 -1.90 0.26 8.97 0.00 -1.26 -4.96 105.19 106.91 1a73 n GLY 146 Ca 0.01 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.72 1a73 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a73 h PRO 147 N 1.43 0.00 0.00 1.61 0.13 -2.04 -3.49 132.00 129.64 1a73 h PRO 147 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a73 h PRO 147 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a73 h PRO 147 CO 0.00 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.25 1a73 n GLY 148 N -0.02 -2.87 2.20 1.56 0.00 -1.26 -4.78 105.19 100.02 1a73 n GLY 148 Ca 0.00 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 1a73 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a73 n ALA 149 N -0.21 2.31 -2.36 4.61 0.00 -1.26 -5.11 120.51 118.49 1a73 n ALA 149 Ca 0.00 -3.43 -0.42 0.00 0.00 0.00 0.00 53.44 49.59 1a73 n ALA 149 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1a73 n ALA 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a73 s THR 150 N -1.67 3.92 0.03 0.00 2.01 -1.26 -4.94 115.64 113.73 1a73 s THR 150 Ca 0.37 1.35 -0.16 0.00 0.31 0.00 0.00 61.69 63.56 1a73 s THR 150 Cb 0.24 -3.87 -0.34 0.00 0.01 0.00 0.00 72.50 68.53 1a73 s THR 150 CO -0.10 0.07 1.02 0.58 -0.69 0.00 0.00 174.62 175.50 1a73 h VAL 151 N 4.61 1.29 -3.09 3.82 2.07 -2.03 -3.46 116.25 119.45 1a73 h VAL 151 Ca -0.40 -2.64 -0.17 0.00 0.82 0.00 0.00 66.70 64.31 1a73 h VAL 151 Cb 1.20 2.98 -0.26 0.00 -1.52 0.00 0.00 31.29 33.69 1a73 h VAL 151 CO 0.84 0.79 -0.43 0.00 0.02 0.00 0.00 177.57 178.80 1a73 s ALA 152 N -2.67 -0.63 0.42 1.67 0.00 -1.26 -5.17 121.76 114.12 1a73 s ALA 152 Ca -0.09 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1a73 s ALA 152 Cb 0.04 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.75 1a73 s ALA 152 CO 0.94 -0.14 0.44 0.41 0.00 0.00 0.00 175.76 177.41 1a73 n GLY 153 N 3.22 1.32 3.75 0.00 0.00 -1.26 -5.04 105.19 107.18 1a73 n GLY 153 Ca -0.15 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 1a73 n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a73 s PRO 154 N -3.49 4.12 0.03 1.61 0.04 -1.26 -5.00 135.00 131.07 1a73 s PRO 154 Ca 0.31 2.57 -0.27 0.00 0.04 0.00 0.00 61.00 63.65 1a73 s PRO 154 Cb -0.02 -3.03 0.09 0.00 0.04 0.00 0.00 34.50 31.58 1a73 s PRO 154 CO 0.20 -0.64 0.77 1.14 0.04 0.00 0.00 177.00 178.51 1a73 s GLN 155 N -0.37 0.99 0.02 4.56 -2.07 -1.26 -5.17 119.66 116.36 1a73 s GLN 155 Ca 0.64 -0.25 -0.04 0.00 -1.82 0.00 0.00 55.36 53.89 1a73 s GLN 155 Cb -0.48 0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 31.89 1a73 s GLN 155 CO 0.47 -0.41 0.05 1.14 -1.32 0.00 0.00 175.29 175.22 1a73 s GLN 156 N -2.92 0.45 -0.06 9.60 -2.07 -1.26 -5.06 119.66 118.34 1a73 s GLN 156 Ca 0.01 -0.62 -0.03 0.00 -1.82 0.00 0.00 55.36 52.90 1a73 s GLN 156 Cb -0.01 0.17 -0.27 0.00 -1.09 0.00 0.00 33.01 31.82 1a73 s GLN 156 CO -0.07 -0.10 0.62 0.00 -1.32 0.00 0.00 175.29 174.42 1a73 h ARG 157 N 4.20 0.24 0.00 9.60 3.08 -2.03 -3.48 114.38 125.99 1a73 h ARG 157 Ca -0.32 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.32 1a73 h ARG 157 Cb 1.19 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1a73 h ARG 157 CO 0.45 1.08 0.00 0.41 -1.07 0.00 0.00 179.97 180.84 1a73 n GLY 158 N 1.80 2.36 2.58 0.04 0.00 -1.26 -5.07 105.19 105.64 1a73 n GLY 158 Ca -0.23 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 1a73 n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a73 n SER 159 N 0.00 2.62 0.00 1.61 3.41 -1.26 -4.82 113.62 115.18 1a73 n SER 159 Ca 0.00 -2.71 0.11 0.00 -0.26 0.00 0.00 58.87 56.00 1a73 n SER 159 Cb 0.00 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 1a73 n SER 159 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1a73 n HIS 160 N -0.51 0.04 -4.39 7.33 8.25 -1.26 -4.98 115.22 119.69 1a73 n HIS 160 Ca 0.19 0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.40 1a73 n HIS 160 Cb 0.83 -0.15 -0.12 0.00 1.12 0.00 0.00 29.99 31.67 1a73 n HIS 160 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1a73 s PHE 161 N -3.06 2.20 0.11 4.41 0.08 -1.26 -5.14 117.98 115.31 1a73 s PHE 161 Ca 0.07 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.79 1a73 s PHE 161 Cb 0.16 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 1a73 s PHE 161 CO 0.83 0.42 -0.12 0.14 -0.10 0.00 0.00 175.22 176.39 1a73 s VAL 162 N -1.55 1.13 -2.00 -0.44 -7.23 -1.26 -5.12 120.40 103.93 1a73 s VAL 162 Ca 0.18 -1.66 0.14 0.00 -1.81 0.00 0.00 61.98 58.82 1a73 s VAL 162 Cb -0.08 -1.42 0.39 0.00 0.56 0.00 0.00 36.38 35.83 1a73 s VAL 162 CO 0.08 -0.47 1.24 0.52 -0.31 0.00 0.00 175.10 176.16