#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iad s ALA 2 N 0.00 3.31 0.15 0.00 0.00 -0.09 -1.20 121.76 123.93 1iad s ALA 2 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 51.96 49.80 1iad s ALA 2 Cb 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 1iad s ALA 2 CO 0.00 0.09 1.53 -1.50 0.00 0.00 0.00 175.76 175.88 1iad s ILE 3 N -2.44 2.81 0.26 0.00 2.07 -0.23 -1.30 121.20 122.37 1iad s ILE 3 Ca 0.35 0.57 -0.30 0.00 -1.41 0.00 0.00 60.65 59.86 1iad s ILE 3 Cb -0.02 -3.37 -0.10 0.00 0.13 0.00 0.00 42.46 39.10 1iad s ILE 3 CO 0.21 0.04 1.48 -0.76 -1.91 0.00 0.00 174.94 174.00 1iad s LEU 4 N 1.21 4.37 0.00 8.50 1.43 -1.26 -4.69 118.68 128.25 1iad s LEU 4 Ca 0.69 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.54 1iad s LEU 4 Cb -0.42 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1iad s LEU 4 CO 0.31 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1iad n GLY 5 N 2.15 1.65 0.22 -3.19 0.00 -1.26 -4.86 105.19 99.91 1iad n GLY 5 Ca 0.07 -1.04 0.15 0.00 0.00 0.00 0.00 46.02 45.21 1iad n GLY 5 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iad h ASP 6 N 0.00 0.00 0.27 1.61 3.32 -2.00 -2.59 116.42 117.04 1iad h ASP 6 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iad h ASP 6 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1iad h ASP 6 CO 0.00 0.00 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.19 1iad h GLU 7 N 0.00 0.00 -0.63 3.56 3.07 -1.99 -2.96 114.58 115.63 1iad h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iad h GLU 7 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1iad h GLU 7 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 1iad n TYR 8 N -3.10 1.20 -3.97 4.33 4.01 -0.97 -4.87 117.16 113.79 1iad n TYR 8 Ca -0.02 -0.48 -0.26 0.00 -0.16 0.00 0.00 57.90 56.99 1iad n TYR 8 Cb 0.13 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 1iad n TYR 8 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1iad s LEU 9 N -1.56 4.26 -0.29 7.72 1.43 -1.12 -0.20 118.68 128.91 1iad s LEU 9 Ca 0.41 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.35 1iad s LEU 9 Cb 0.26 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.66 1iad s LEU 9 CO 0.20 0.04 0.97 0.26 0.23 0.00 0.00 176.35 178.06 1iad s TRP 10 N -1.76 3.21 0.13 0.29 0.52 -1.26 -4.76 118.94 115.30 1iad s TRP 10 Ca 0.34 1.14 -0.34 0.00 0.02 0.00 0.00 56.10 57.26 1iad s TRP 10 Cb -0.11 -3.44 -0.14 0.00 -1.15 0.00 0.00 33.47 28.63 1iad s TRP 10 CO 0.28 -0.63 1.56 0.45 0.02 0.00 0.00 176.95 178.63 1iad n SER 11 N 6.53 2.89 0.00 2.95 2.88 -1.26 -0.35 113.62 127.25 1iad n SER 11 Ca 0.09 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1iad n SER 11 Cb 0.47 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1iad n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iad n GLY 12 N 3.35 0.31 2.32 0.46 0.00 -1.25 -2.58 105.19 107.79 1iad n GLY 12 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1iad n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iad n GLY 13 N -1.26 0.52 3.60 -0.02 0.00 0.52 -4.54 105.19 104.01 1iad n GLY 13 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1iad n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iad s VAL 14 N -1.84 4.78 -0.28 1.61 1.01 -1.07 -1.37 120.40 123.25 1iad s VAL 14 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1iad s VAL 14 Cb 0.00 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1iad s VAL 14 CO 0.00 0.42 -0.08 -0.63 0.00 0.00 0.00 175.10 174.81 1iad s ILE 15 N 0.73 2.19 0.37 2.22 1.01 -0.03 -4.53 121.20 123.16 1iad s ILE 15 Ca 0.04 -1.78 -0.25 0.00 0.00 0.00 0.00 60.65 58.66 1iad s ILE 15 Cb -0.13 -2.36 -0.09 0.00 0.01 0.00 0.00 42.46 39.88 1iad s ILE 15 CO 0.02 -0.14 1.01 -2.84 0.00 0.00 0.00 174.94 172.98 1iad s PRO 16 N 1.06 4.33 0.05 2.79 0.02 -1.26 -1.59 135.00 140.41 1iad s PRO 16 Ca -0.05 1.43 -0.03 0.00 0.02 0.00 0.00 61.00 62.37 1iad s PRO 16 Cb -0.20 -2.62 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 1iad s PRO 16 CO -0.06 0.02 0.02 1.52 -0.33 0.00 0.00 177.00 178.18 1iad s TYR 17 N -1.67 0.38 0.07 6.54 -0.85 -0.34 -0.62 117.35 120.87 1iad s TYR 17 Ca 0.55 -0.83 0.04 0.00 -0.52 0.00 0.00 57.07 56.31 1iad s TYR 17 Cb -0.20 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 41.83 1iad s TYR 17 CO 0.26 -0.37 -0.12 0.95 -1.52 0.00 0.00 175.55 174.75 1iad s THR 18 N -3.34 0.95 -0.42 -3.49 -4.23 0.97 -1.71 115.64 104.37 1iad s THR 18 Ca 0.01 -1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 59.00 1iad s THR 18 Cb 0.03 -1.06 0.02 0.00 1.34 0.00 0.00 72.50 72.83 1iad s THR 18 CO -0.08 -0.35 0.38 -0.36 -0.54 0.00 0.00 174.62 173.66 1iad s PHE 19 N -1.64 3.20 -0.94 3.99 0.08 -1.26 -0.73 117.98 120.68 1iad s PHE 19 Ca -0.01 -0.50 -0.18 0.00 0.12 0.00 0.00 56.93 56.36 1iad s PHE 19 Cb -0.08 -2.77 0.15 0.00 -0.57 0.00 0.00 43.02 39.74 1iad s PHE 19 CO 0.01 -0.66 1.11 0.00 -0.10 0.00 0.00 175.22 175.58 1iad s ALA 20 N 1.91 3.53 0.00 5.36 0.00 0.02 -4.48 121.76 128.10 1iad s ALA 20 Ca 0.09 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.14 1iad s ALA 20 Cb -0.18 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1iad s ALA 20 CO 0.12 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.42 1iad n GLY 21 N 5.15 0.83 3.54 0.00 0.00 -1.26 -4.63 105.19 108.82 1iad n GLY 21 Ca 0.24 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1iad n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iad s VAL 22 N -2.97 4.09 0.85 1.61 1.01 -1.26 -4.63 120.40 119.10 1iad s VAL 22 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1iad s VAL 22 Cb 0.00 -2.79 0.10 0.00 0.00 0.00 0.00 36.38 33.69 1iad s VAL 22 CO 0.00 0.50 1.10 -0.94 0.00 0.00 0.00 175.10 175.76 1iad s SER 23 N 0.22 3.79 0.22 3.32 1.04 -1.26 -4.71 113.70 116.32 1iad s SER 23 Ca -0.01 1.76 -0.08 0.00 0.48 0.00 0.00 55.95 58.09 1iad s SER 23 Cb -0.13 -2.41 0.22 0.00 0.10 0.00 0.00 66.02 63.80 1iad s SER 23 CO 0.02 -2.48 1.88 1.23 0.98 0.00 0.00 173.24 174.87 1iad h GLY 24 N -1.44 1.16 1.29 7.32 0.00 -1.98 -0.67 103.07 108.75 1iad h GLY 24 Ca -0.46 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.40 1iad h GLY 24 CO 0.51 0.36 0.08 0.00 0.00 0.00 0.00 176.54 177.49 1iad h ALA 25 N 1.33 1.12 -0.08 3.60 0.00 -1.99 -1.17 119.26 122.07 1iad h ALA 25 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1iad h ALA 25 Cb -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1iad h ALA 25 CO -0.10 0.58 -0.03 -0.44 0.00 0.00 0.00 179.25 179.26 1iad h ASP 26 N 0.83 0.16 -0.84 0.00 3.32 -1.86 -1.31 116.42 116.72 1iad h ASP 26 Ca 0.17 -0.41 0.20 0.00 0.02 0.00 0.00 57.03 57.02 1iad h ASP 26 Cb 0.37 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.76 1iad h ASP 26 CO 0.01 0.53 0.28 1.56 -1.72 0.00 0.00 179.24 179.90 1iad h GLN 27 N -0.21 0.31 -0.52 3.56 4.20 -1.02 0.67 115.11 122.09 1iad h GLN 27 Ca 0.02 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1iad h GLN 27 Cb 0.47 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1iad h GLN 27 CO 0.01 0.20 0.06 0.77 -0.67 0.00 0.00 178.83 179.20 1iad h SER 28 N 0.31 0.85 -0.65 1.46 0.02 -1.00 -0.53 113.55 114.02 1iad h SER 28 Ca 0.50 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1iad h SER 28 Cb 0.94 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1iad h SER 28 CO -0.55 0.91 0.42 0.00 -1.14 0.00 0.00 176.83 176.48 1iad h ALA 29 N 0.97 0.83 -0.52 3.77 0.00 -0.36 -1.90 119.26 122.05 1iad h ALA 29 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1iad h ALA 29 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1iad h ALA 29 CO 0.02 0.23 0.01 0.82 0.00 0.00 0.00 179.25 180.32 1iad h ILE 30 N 0.86 1.26 -0.49 0.00 2.04 -0.59 -1.55 117.51 119.04 1iad h ILE 30 Ca 0.25 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 1iad h ILE 30 Cb -0.07 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1iad h ILE 30 CO -0.07 0.39 0.09 -0.07 0.00 0.00 0.00 178.15 178.49 1iad h LEU 31 N 0.79 0.71 -0.98 1.44 3.38 -0.93 -0.44 115.31 119.28 1iad h LEU 31 Ca 0.15 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1iad h LEU 31 Cb 0.52 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1iad h LEU 31 CO 0.03 0.72 -0.35 0.28 0.09 0.00 0.00 178.44 179.20 1iad h SER 32 N 0.73 0.00 -0.78 -0.43 0.02 -0.96 -0.27 113.55 111.85 1iad h SER 32 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1iad h SER 32 Cb 0.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1iad h SER 32 CO 0.00 0.35 0.34 1.23 -1.14 0.00 0.00 176.83 177.61 1iad h GLY 33 N 2.01 1.24 1.43 -3.77 0.00 -0.26 -2.75 103.07 100.96 1iad h GLY 33 Ca -0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.56 1iad h GLY 33 CO 0.05 0.62 -0.27 -0.33 0.00 0.00 0.00 176.54 176.60 1iad h MET 34 N 1.13 0.65 0.01 4.80 2.07 -0.54 -3.11 114.93 119.94 1iad h MET 34 Ca 0.26 -0.27 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1iad h MET 34 Cb 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1iad h MET 34 CO -0.03 0.86 -0.00 0.37 1.07 0.00 0.00 176.91 179.18 1iad h GLN 35 N 0.57 -0.01 -0.95 1.72 4.15 -0.89 0.06 115.11 119.76 1iad h GLN 35 Ca 0.07 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.66 1iad h GLN 35 Cb 0.75 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.36 1iad h GLN 35 CO 0.06 0.18 0.60 1.49 -1.93 0.00 0.00 178.83 179.23 1iad h GLU 36 N -0.19 0.68 -0.38 1.69 4.81 -1.54 0.64 114.58 120.28 1iad h GLU 36 Ca -0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1iad h GLU 36 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1iad h GLU 36 CO 0.00 0.45 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.49 1iad h LEU 37 N 0.70 0.80 -0.66 1.64 3.38 -1.20 -2.08 115.31 117.90 1iad h LEU 37 Ca 0.50 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1iad h LEU 37 Cb 0.85 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1iad h LEU 37 CO -0.26 1.02 -0.43 -0.33 0.09 0.00 0.00 178.44 178.53 1iad h GLU 38 N 0.58 0.00 -0.13 1.13 5.08 0.03 0.99 114.58 122.25 1iad h GLU 38 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1iad h GLU 38 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1iad h GLU 38 CO 0.05 0.43 -0.70 0.93 -1.00 0.00 0.00 179.01 178.72 1iad h GLU 39 N 0.00 0.58 0.00 2.33 5.08 -0.81 -3.33 114.58 118.44 1iad h GLU 39 Ca -0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1iad h GLU 39 Cb 1.06 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1iad h GLU 39 CO 0.06 1.07 -1.49 1.63 -1.00 0.00 0.00 179.01 179.28 1iad n LYS 40 N -3.90 0.59 -4.28 2.33 5.02 -0.79 -5.00 118.16 112.13 1iad n LYS 40 Ca -0.05 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.04 1iad n LYS 40 Cb 0.70 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1iad n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1iad s THR 41 N -3.42 0.66 -1.34 -0.18 -4.23 0.32 -4.86 115.64 102.59 1iad s THR 41 Ca -0.04 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 58.74 1iad s THR 41 Cb 0.12 -2.33 0.40 0.00 1.34 0.00 0.00 72.50 72.03 1iad s THR 41 CO 0.85 -0.28 1.85 0.00 -0.54 0.00 0.00 174.62 176.50 1iad s ILE 43 N -2.66 3.11 -0.08 0.00 -1.09 -1.26 -4.88 121.20 114.34 1iad s ILE 43 Ca 0.22 0.92 0.04 0.00 -2.23 0.00 0.00 60.65 59.60 1iad s ILE 43 Cb 0.17 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1iad s ILE 43 CO 0.40 0.14 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.94 1iad s ARG 44 N -0.25 2.34 -0.24 2.79 1.81 -0.47 -4.30 118.95 120.63 1iad s ARG 44 Ca 0.56 -0.67 -0.09 0.00 -1.72 0.00 0.00 55.73 53.81 1iad s ARG 44 Cb -0.37 -1.85 -0.04 0.00 -0.45 0.00 0.00 34.95 32.23 1iad s ARG 44 CO 0.40 0.15 0.13 -0.06 -0.68 0.00 0.00 175.30 175.23 1iad s PHE 45 N 0.37 3.24 -0.00 -0.53 0.08 -1.26 -0.85 117.98 119.03 1iad s PHE 45 Ca -0.14 0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.03 1iad s PHE 45 Cb -0.16 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 1iad s PHE 45 CO 0.06 -0.03 -0.18 0.14 -0.10 0.00 0.00 175.22 175.10 1iad s VAL 46 N 1.13 1.46 0.10 -0.44 -7.23 -0.62 -4.94 120.40 109.86 1iad s VAL 46 Ca 0.06 -0.84 -0.34 0.00 -1.81 0.00 0.00 61.98 59.05 1iad s VAL 46 Cb -0.14 -1.23 -0.13 0.00 0.56 0.00 0.00 36.38 35.44 1iad s VAL 46 CO 0.05 0.37 1.67 -2.65 -0.31 0.00 0.00 175.10 174.22 1iad n PRO 47 N 2.50 2.19 -2.38 4.82 -0.02 -1.26 -1.19 135.00 139.66 1iad n PRO 47 Ca -0.15 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1iad n PRO 47 Cb 0.54 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1iad n PRO 47 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1iad s ARG 48 N 1.78 4.49 0.00 -0.52 3.00 -0.70 -4.75 118.95 122.25 1iad s ARG 48 Ca 0.82 1.86 0.00 0.00 -1.00 0.00 0.00 55.73 57.42 1iad s ARG 48 Cb -0.67 -3.25 0.00 0.00 0.00 0.00 0.00 34.95 31.03 1iad s ARG 48 CO 0.41 -0.10 0.00 0.25 0.00 0.00 0.00 175.30 175.86 1iad n THR 49 N 2.66 0.00 0.16 4.11 -2.24 -1.26 -4.96 114.28 112.75 1iad n THR 49 Ca 0.05 0.04 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1iad n THR 49 Cb 0.45 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 67.67 1iad n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iad n THR 50 N -2.05 0.00 -1.63 4.28 -2.24 -1.26 -5.04 114.28 106.34 1iad n THR 50 Ca 0.00 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1iad n THR 50 Cb 0.00 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1iad n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iad n GLU 51 N -1.85 1.58 -0.02 -0.78 4.71 -1.26 -4.94 120.64 118.08 1iad n GLU 51 Ca -0.01 0.56 -0.07 0.00 -0.01 0.00 0.00 57.16 57.63 1iad n GLU 51 Cb 0.35 -2.10 -0.13 0.00 -1.01 0.00 0.00 31.44 28.54 1iad n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1iad n SER 52 N 0.66 0.83 -4.52 1.62 3.41 -1.26 -4.73 113.62 109.62 1iad n SER 52 Ca 0.08 0.39 -0.34 0.00 -0.26 0.00 0.00 58.87 58.74 1iad n SER 52 Cb 0.37 0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 1iad n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1iad s ASP 53 N -6.00 5.07 0.05 4.04 1.01 -1.26 -3.41 116.67 116.17 1iad s ASP 53 Ca -0.05 -0.09 -0.27 0.00 0.71 0.00 0.00 52.55 52.85 1iad s ASP 53 Cb 0.08 -1.85 0.09 0.00 1.01 0.00 0.00 42.92 42.24 1iad s ASP 53 CO 0.82 0.13 0.89 -0.72 0.21 0.00 0.00 175.17 176.50 1iad s TYR 54 N 0.59 -0.30 -0.16 4.23 1.13 -1.14 -4.60 117.35 117.10 1iad s TYR 54 Ca -0.00 0.11 -0.13 0.00 -1.41 0.00 0.00 57.07 55.63 1iad s TYR 54 Cb -0.14 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.24 1iad s TYR 54 CO 0.02 -0.65 0.28 0.08 -2.51 0.00 0.00 175.55 172.77 1iad s VAL 55 N -3.22 5.31 -0.35 -3.49 1.01 0.21 -1.44 120.40 118.44 1iad s VAL 55 Ca 0.07 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1iad s VAL 55 Cb -0.01 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1iad s VAL 55 CO -0.06 0.40 0.13 -0.70 0.00 0.00 0.00 175.10 174.87 1iad s GLU 56 N 0.44 2.61 -0.19 2.72 2.12 0.43 -0.02 118.70 126.81 1iad s GLU 56 Ca 0.16 -1.23 -0.13 0.00 0.36 0.00 0.00 54.97 54.12 1iad s GLU 56 Cb -0.13 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 1iad s GLU 56 CO 0.03 -0.72 0.26 0.42 -0.54 0.00 0.00 175.26 174.72 1iad s ILE 57 N 1.40 5.31 0.02 -3.70 1.01 0.09 -1.52 121.20 123.82 1iad s ILE 57 Ca -0.00 0.46 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 1iad s ILE 57 Cb -0.20 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1iad s ILE 57 CO 0.03 0.36 0.17 0.72 0.00 0.00 0.00 174.94 176.22 1iad s PHE 58 N 0.71 0.07 -0.80 3.97 -0.71 -0.98 -0.80 117.98 119.44 1iad s PHE 58 Ca 0.14 -0.25 0.08 0.00 -1.04 0.00 0.00 56.93 55.86 1iad s PHE 58 Cb -0.13 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.65 1iad s PHE 58 CO 0.04 -0.37 0.62 0.25 -1.34 0.00 0.00 175.22 174.41 1iad n THR 59 N 0.97 0.00 1.38 -4.49 -2.24 -1.26 -0.64 114.28 107.99 1iad n THR 59 Ca -0.20 -0.45 0.11 0.00 -2.27 0.00 0.00 64.05 61.24 1iad n THR 59 Cb 0.58 1.12 0.44 0.00 -2.10 0.00 0.00 70.33 70.36 1iad n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iad n SER 60 N -0.04 1.42 -1.19 3.42 3.41 -1.26 -1.04 113.62 118.33 1iad n SER 60 Ca 0.04 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1iad n SER 60 Cb 0.17 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1iad n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iad n GLY 61 N 1.10 1.23 2.85 5.00 0.00 -1.26 -5.03 105.19 109.09 1iad n GLY 61 Ca 0.17 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 1iad n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iad s SER 62 N -1.00 0.48 0.00 1.61 0.15 -1.26 -4.74 113.70 108.94 1iad s SER 62 Ca 0.00 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1iad s SER 62 Cb 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1iad s SER 62 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1iad n GLY 63 N 4.94 -1.06 3.26 9.45 0.00 -1.26 -4.91 105.19 115.61 1iad n GLY 63 Ca -0.12 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1iad n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iad s TRP 65 N 1.38 -0.28 -0.12 0.00 1.48 -0.68 -4.98 118.94 115.74 1iad s TRP 65 Ca 0.05 0.10 -0.30 0.00 -1.06 0.00 0.00 56.10 54.88 1iad s TRP 65 Cb -0.14 0.57 0.10 0.00 -1.16 0.00 0.00 33.47 32.84 1iad s TRP 65 CO -0.05 -0.64 0.86 0.45 -4.06 0.00 0.00 176.95 173.51 1iad s SER 66 N -2.63 -0.50 0.89 -2.66 0.15 -1.26 -0.64 113.70 107.05 1iad s SER 66 Ca 0.07 0.56 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 1iad s SER 66 Cb -0.01 0.43 0.12 0.00 -1.71 0.00 0.00 66.02 64.85 1iad s SER 66 CO -0.06 -0.45 1.10 -0.31 1.20 0.00 0.00 173.24 174.72 1iad s TYR 67 N -1.09 2.43 -0.27 3.44 1.51 -1.26 -4.89 117.35 117.22 1iad s TYR 67 Ca -0.06 1.15 -0.09 0.00 -1.01 0.00 0.00 57.07 57.07 1iad s TYR 67 Cb -0.00 -3.19 -0.03 0.00 -0.11 0.00 0.00 41.96 38.62 1iad s TYR 67 CO 0.05 -2.31 0.12 0.08 -1.11 0.00 0.00 175.55 172.38 1iad s VAL 68 N -3.03 4.71 0.05 0.71 1.01 -1.26 -2.79 120.40 119.81 1iad s VAL 68 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1iad s VAL 68 Cb -0.17 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1iad s VAL 68 CO 0.56 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1iad n GLY 69 N 4.98 -1.88 3.57 4.51 0.00 -0.58 -4.74 105.19 111.06 1iad n GLY 69 Ca -0.15 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1iad n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iad s ARG 70 N -0.61 3.57 0.00 1.61 3.52 0.72 -4.81 118.95 122.95 1iad s ARG 70 Ca 0.00 0.25 0.25 0.00 -0.13 0.00 0.00 55.73 56.10 1iad s ARG 70 Cb 0.00 -3.93 0.47 0.00 -1.56 0.00 0.00 34.95 29.92 1iad s ARG 70 CO 0.00 -1.30 1.39 0.44 -0.81 0.00 0.00 175.30 175.02 1iad n ILE 71 N 6.54 0.00 -0.34 4.11 -5.35 -1.26 -4.60 119.36 118.47 1iad n ILE 71 Ca 0.08 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1iad n ILE 71 Cb 0.49 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 1iad n ILE 71 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1iad n SER 72 N -0.10 -2.29 -0.33 7.28 3.41 -1.26 -5.08 113.62 115.25 1iad n SER 72 Ca 0.12 0.31 0.02 0.00 -0.26 0.00 0.00 58.87 59.06 1iad n SER 72 Cb 0.42 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1iad n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iad n GLY 73 N -1.27 -1.87 3.69 5.00 0.00 -1.22 -4.78 105.19 104.74 1iad n GLY 73 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1iad n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iad s ALA 74 N -1.31 3.38 0.04 4.61 0.00 -1.22 -2.89 121.76 124.37 1iad s ALA 74 Ca 0.00 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.57 1iad s ALA 74 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1iad s ALA 74 CO 0.00 -0.56 -0.21 1.14 0.00 0.00 0.00 175.76 176.13 1iad s GLN 75 N 1.77 1.45 0.14 0.00 -2.07 -0.52 -4.96 119.66 115.48 1iad s GLN 75 Ca 0.52 -0.95 -0.05 0.00 -1.82 0.00 0.00 55.36 53.07 1iad s GLN 75 Cb -0.22 -1.56 -0.06 0.00 -1.09 0.00 0.00 33.01 30.08 1iad s GLN 75 CO 0.22 0.40 0.38 -0.65 -1.32 0.00 0.00 175.29 174.32 1iad s GLN 76 N -1.14 3.62 -0.21 9.60 -0.21 -1.26 -0.43 119.66 129.63 1iad s GLN 76 Ca 0.08 -0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.39 1iad s GLN 76 Cb -0.09 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.11 1iad s GLN 76 CO 0.02 0.47 -0.11 0.08 -2.12 0.00 0.00 175.29 173.63 1iad s VAL 77 N -1.65 1.73 -0.11 1.09 1.01 -0.58 -4.27 120.40 117.62 1iad s VAL 77 Ca 0.41 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1iad s VAL 77 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1iad s VAL 77 CO 0.24 0.15 0.57 -0.55 0.00 0.00 0.00 175.10 175.52 1iad s SER 78 N 1.35 6.79 -0.54 3.32 0.15 0.19 -2.32 113.70 122.64 1iad s SER 78 Ca -0.02 0.94 0.05 0.00 0.70 0.00 0.00 55.95 57.62 1iad s SER 78 Cb -0.17 -2.34 0.18 0.00 -1.71 0.00 0.00 66.02 61.99 1iad s SER 78 CO -0.08 -0.07 0.43 0.18 1.20 0.00 0.00 173.24 174.90 1iad n LEU 79 N 3.86 1.17 -4.64 3.45 4.77 0.19 -1.69 117.00 124.10 1iad n LEU 79 Ca -0.04 -4.78 -0.63 0.00 -0.03 0.00 0.00 56.01 50.53 1iad n LEU 79 Cb 0.51 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1iad n LEU 79 CO 0.45 1.84 0.92 1.67 -1.33 0.00 0.00 177.39 180.94 1iad n GLN 80 N 2.31 0.13 -0.29 3.23 7.27 -1.02 -4.19 117.38 124.81 1iad n GLN 80 Ca 0.25 0.05 0.04 0.00 0.07 0.00 0.00 57.00 57.41 1iad n GLN 80 Cb 0.43 -1.57 0.18 0.00 2.41 0.00 0.00 30.24 31.69 1iad n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iad h ALA 81 N 4.35 1.20 -3.36 1.69 0.00 -1.39 -0.80 119.26 120.94 1iad h ALA 81 Ca -0.47 0.04 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 1iad h ALA 81 Cb 1.39 -0.12 -0.35 0.00 0.00 0.00 0.00 17.79 18.71 1iad h ALA 81 CO 0.84 0.07 -0.63 -0.80 0.00 0.00 0.00 179.25 178.74 1iad s ASN 82 N -5.58 5.05 0.00 0.00 0.01 -1.26 -4.29 114.94 108.87 1iad s ASN 82 Ca -0.12 -1.84 0.00 0.00 -0.71 0.00 0.00 52.86 50.19 1iad s ASN 82 Cb 0.20 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 40.10 1iad s ASN 82 CO 0.78 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 176.55 1iad n GLY 83 N 4.53 1.44 0.00 0.66 0.00 -1.20 -4.99 105.19 105.64 1iad n GLY 83 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1iad n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iad n VAL 85 N -0.44 3.66 -4.32 0.00 0.31 -1.25 -4.35 118.33 111.94 1iad n VAL 85 Ca 0.00 -3.37 -0.19 0.00 -0.01 0.00 0.00 64.34 60.78 1iad n VAL 85 Cb 0.03 -2.54 -0.14 0.00 -0.91 0.00 0.00 33.84 30.28 1iad n VAL 85 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1iad s TYR 86 N 2.76 1.00 0.21 3.52 2.02 -1.26 -5.06 117.35 120.54 1iad s TYR 86 Ca 0.46 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.76 1iad s TYR 86 Cb 0.12 -0.61 0.29 0.00 -0.40 0.00 0.00 41.96 41.36 1iad s TYR 86 CO -0.06 0.00 1.71 1.25 -1.57 0.00 0.00 175.55 176.88 1iad h HIS 87 N 5.23 0.20 -0.18 2.71 2.76 -1.87 -1.28 115.15 122.72 1iad h HIS 87 Ca -0.35 0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 57.78 1iad h HIS 87 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 1iad h HIS 87 CO 0.50 -0.03 -0.16 0.78 -1.30 0.00 0.00 177.93 177.72 1iad h GLY 88 N 0.26 0.47 0.99 5.26 0.00 -1.70 -2.11 103.07 106.24 1iad h GLY 88 Ca 0.31 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1iad h GLY 88 CO -0.40 0.43 0.50 -0.84 0.00 0.00 0.00 176.54 176.23 1iad h THR 89 N 0.10 1.18 -0.34 4.70 2.02 -1.50 -0.59 112.91 118.48 1iad h THR 89 Ca 0.03 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 66.93 1iad h THR 89 Cb 0.69 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 1iad h THR 89 CO 0.04 0.18 -0.08 0.40 0.37 0.00 0.00 175.52 176.43 1iad h ILE 90 N 1.01 0.66 -0.63 3.11 2.04 -1.11 -0.77 117.51 121.81 1iad h ILE 90 Ca 0.28 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.07 1iad h ILE 90 Cb -0.10 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1iad h ILE 90 CO -0.07 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.58 1iad h ILE 91 N 0.00 1.26 -0.18 -0.67 2.04 -1.11 -2.43 117.51 116.42 1iad h ILE 91 Ca 0.16 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1iad h ILE 91 Cb 0.25 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1iad h ILE 91 CO -0.35 0.38 -0.03 -0.74 0.00 0.00 0.00 178.15 177.40 1iad h HIS 92 N 0.95 -0.08 -0.37 1.37 2.76 -0.47 0.23 115.15 119.55 1iad h HIS 92 Ca 0.19 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 1iad h HIS 92 Cb 0.43 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1iad h HIS 92 CO 0.03 -0.07 -0.09 0.93 -1.30 0.00 0.00 177.93 177.44 1iad h GLU 93 N 0.01 0.71 0.00 5.26 4.39 -1.04 -1.43 114.58 122.48 1iad h GLU 93 Ca 0.09 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 1iad h GLU 93 Cb 0.13 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1iad h GLU 93 CO -0.18 0.86 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.91 1iad h LEU 94 N 0.51 0.00 -1.15 1.33 3.38 -1.36 -0.61 115.31 117.40 1iad h LEU 94 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1iad h LEU 94 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1iad h LEU 94 CO 0.04 0.56 -0.39 -0.03 0.09 0.00 0.00 178.44 178.70 1iad h MET 95 N 0.00 0.00 0.01 1.13 4.05 -0.35 -0.93 114.93 118.84 1iad h MET 95 Ca -0.01 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1iad h MET 95 Cb 1.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1iad h MET 95 CO 0.07 0.39 -0.01 0.45 0.23 0.00 0.00 176.91 178.05 1iad h HIS 96 N 0.00 -0.02 -0.89 1.39 3.86 -0.03 -2.68 115.15 116.78 1iad h HIS 96 Ca -0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1iad h HIS 96 Cb 0.77 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.19 1iad h HIS 96 CO 0.00 0.02 0.59 0.00 0.86 0.00 0.00 177.93 179.39 1iad h ALA 97 N 0.94 1.44 -0.51 2.45 0.00 -0.88 -1.34 119.26 121.35 1iad h ALA 97 Ca -0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1iad h ALA 97 Cb 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1iad h ALA 97 CO 0.00 0.48 0.35 0.82 0.00 0.00 0.00 179.25 180.90 1iad h ILE 98 N 1.12 0.85 0.00 0.00 2.04 -1.15 -2.60 117.51 117.77 1iad h ILE 98 Ca 0.35 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1iad h ILE 98 Cb 0.02 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1iad h ILE 98 CO -0.11 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.70 1iad n GLY 99 N -1.56 0.17 3.54 5.37 0.00 -0.78 -4.62 105.19 107.30 1iad n GLY 99 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1iad n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iad s PHE 100 N -0.30 2.78 0.64 1.61 0.40 -1.02 -1.07 117.98 121.02 1iad s PHE 100 Ca 0.00 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1iad s PHE 100 Cb 0.00 -1.58 0.13 0.00 0.51 0.00 0.00 43.02 42.08 1iad s PHE 100 CO 0.00 0.30 0.88 0.66 0.70 0.00 0.00 175.22 177.76 1iad n TYR 101 N 1.75 -3.27 -2.03 0.36 4.01 -0.34 -4.19 117.16 113.44 1iad n TYR 101 Ca -0.16 -1.30 -0.33 0.00 -0.16 0.00 0.00 57.90 55.95 1iad n TYR 101 Cb 0.52 -0.65 0.01 0.00 -0.31 0.00 0.00 39.34 38.92 1iad n TYR 101 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1iad s HIS 102 N -2.69 2.94 0.15 -0.72 3.76 -1.26 -4.35 115.29 113.13 1iad s HIS 102 Ca 0.55 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 56.88 1iad s HIS 102 Cb -0.03 -3.03 -0.00 0.00 1.11 0.00 0.00 32.58 30.63 1iad s HIS 102 CO 0.37 -1.18 1.54 1.49 -0.85 0.00 0.00 174.74 176.11 1iad h GLU 103 N 0.44 0.98 -0.00 1.40 4.57 -1.35 -3.16 114.58 117.46 1iad h GLU 103 Ca -0.47 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.29 1iad h GLU 103 Cb 1.22 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1iad h GLU 103 CO 0.57 1.10 0.00 -2.39 -1.18 0.00 0.00 179.01 177.11 1iad n HIS 104 N -4.13 0.00 -0.49 0.92 1.44 -1.26 -1.79 115.22 109.91 1iad n HIS 104 Ca -0.00 -0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 1iad n HIS 104 Cb 0.46 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.78 1iad n HIS 104 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1iad n THR 105 N -0.92 1.50 -1.34 0.61 -2.24 -1.19 -4.86 114.28 105.84 1iad n THR 105 Ca 0.21 -1.31 -0.34 0.00 -2.27 0.00 0.00 64.05 60.34 1iad n THR 105 Cb 0.10 0.22 0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1iad n THR 105 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1iad s ARG 106 N -1.68 1.97 0.51 -0.78 0.52 -0.74 -1.62 118.95 117.13 1iad s ARG 106 Ca 0.33 1.82 0.19 0.00 -0.52 0.00 0.00 55.73 57.55 1iad s ARG 106 Cb 0.22 -1.81 1.29 0.00 0.52 0.00 0.00 34.95 35.16 1iad s ARG 106 CO 0.15 -1.98 2.07 0.52 0.02 0.00 0.00 175.30 176.08 1iad h MET 107 N -0.43 0.05 -0.63 3.54 2.86 -1.92 -0.26 114.93 118.14 1iad h MET 107 Ca -0.48 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1iad h MET 107 Cb 1.30 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1iad h MET 107 CO 0.49 0.03 0.00 -0.40 1.06 0.00 0.00 176.91 178.09 1iad n ASP 108 N -4.47 4.02 0.21 1.22 5.75 -1.26 -4.63 116.55 117.39 1iad n ASP 108 Ca 0.03 -2.38 0.07 0.00 -0.01 0.00 0.00 54.79 52.50 1iad n ASP 108 Cb 0.32 -0.53 0.58 0.00 -1.03 0.00 0.00 41.12 40.46 1iad n ASP 108 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1iad h ARG 109 N 3.34 0.10 0.00 0.11 -0.00 -1.37 -1.42 114.38 115.15 1iad h ARG 109 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1iad h ARG 109 Cb 1.25 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1iad h ARG 109 CO 0.20 0.10 0.00 -0.44 -0.00 0.00 0.00 179.97 179.83 1iad h ASP 110 N 0.11 0.00 0.57 0.08 3.32 -1.82 0.99 116.42 119.66 1iad h ASP 110 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1iad h ASP 110 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1iad h ASP 110 CO -0.00 0.00 0.00 0.78 -1.72 0.00 0.00 179.24 178.30 1iad h ASN 111 N 0.00 0.00 0.00 6.45 4.21 -1.62 -3.37 115.58 121.25 1iad h ASN 111 Ca 0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1iad h ASN 111 Cb 0.41 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 1iad h ASN 111 CO 0.00 0.00 -1.19 -1.22 -1.29 0.00 0.00 177.43 173.73 1iad n TYR 112 N -2.81 0.00 -4.21 1.19 4.01 0.19 -4.92 117.16 110.61 1iad n TYR 112 Ca -0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1iad n TYR 112 Cb 0.19 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 1iad n TYR 112 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1iad s VAL 113 N -2.07 0.60 -0.07 -0.72 -7.23 -0.27 -0.65 120.40 110.00 1iad s VAL 113 Ca -0.03 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1iad s VAL 113 Cb 0.01 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1iad s VAL 113 CO 0.09 -0.60 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.24 1iad s THR 114 N -3.70 2.96 -0.21 5.32 2.01 -0.45 -4.29 115.64 117.29 1iad s THR 114 Ca 0.20 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1iad s THR 114 Cb 0.06 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1iad s THR 114 CO 0.01 0.57 0.39 -0.63 -0.69 0.00 0.00 174.62 174.26 1iad s ILE 115 N -0.38 5.20 -1.11 1.82 -1.09 -1.26 -1.54 121.20 122.85 1iad s ILE 115 Ca 0.04 0.67 -0.15 0.00 -2.23 0.00 0.00 60.65 58.98 1iad s ILE 115 Cb -0.12 -3.72 0.16 0.00 -1.58 0.00 0.00 42.46 37.20 1iad s ILE 115 CO 0.02 0.25 1.32 0.20 -1.23 0.00 0.00 174.94 175.50 1iad s ASN 116 N 1.08 6.93 0.46 3.58 0.01 0.61 -4.85 114.94 122.77 1iad s ASN 116 Ca 0.18 -2.71 0.22 0.00 -0.71 0.00 0.00 52.86 49.85 1iad s ASN 116 Cb -0.15 -2.39 1.23 0.00 0.41 0.00 0.00 41.25 40.35 1iad s ASN 116 CO 0.08 -0.83 1.88 1.88 -1.51 0.00 0.00 177.10 178.60 1iad h TYR 117 N 7.68 0.33 0.00 2.20 0.05 -1.94 -0.38 116.97 124.91 1iad h TYR 117 Ca 0.26 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1iad h TYR 117 Cb 0.92 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.56 1iad h TYR 117 CO 1.11 0.09 0.00 -0.56 -1.05 0.00 0.00 178.16 177.75 1iad h GLN 118 N 0.25 0.00 -0.00 4.88 -0.00 -1.97 -2.25 115.11 116.01 1iad h GLN 118 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 1iad h GLN 118 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 1iad h GLN 118 CO -0.11 0.00 -0.82 0.09 -0.00 0.00 0.00 178.83 177.99 1iad n ASN 119 N -3.01 1.08 -4.74 0.06 3.02 -0.16 -4.95 115.26 106.55 1iad n ASN 119 Ca -0.01 -1.04 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 1iad n ASN 119 Cb 0.16 0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 40.19 1iad n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iad s VAL 120 N -2.71 3.90 0.02 2.41 1.01 -0.85 -1.04 120.40 123.14 1iad s VAL 120 Ca 0.09 1.66 -0.35 0.00 0.00 0.00 0.00 61.98 63.38 1iad s VAL 120 Cb 0.15 -4.06 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 1iad s VAL 120 CO 0.74 0.29 1.67 -0.67 0.00 0.00 0.00 175.10 177.13 1iad n ASP 121 N 2.32 2.95 0.14 3.32 -0.08 0.57 -4.67 116.55 121.11 1iad n ASP 121 Ca 0.02 1.05 0.11 0.00 -1.51 0.00 0.00 54.79 54.47 1iad n ASP 121 Cb 0.46 -1.35 0.52 0.00 2.34 0.00 0.00 41.12 43.10 1iad n ASP 121 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1iad n PRO 122 N 4.62 0.18 -0.01 -0.67 -0.05 -1.26 -0.80 135.00 137.01 1iad n PRO 122 Ca 0.20 0.49 0.14 0.00 -0.05 0.00 0.00 63.50 64.29 1iad n PRO 122 Cb 0.26 -1.90 0.68 0.00 -0.05 0.00 0.00 33.50 32.49 1iad n PRO 122 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 1iad n SER 123 N -2.24 0.81 0.00 3.54 3.41 -1.26 -4.16 113.62 113.71 1iad n SER 123 Ca 0.01 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1iad n SER 123 Cb 0.16 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1iad n SER 123 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1iad n MET 124 N -0.35 1.12 -0.01 4.33 1.56 0.02 -4.85 117.12 118.94 1iad n MET 124 Ca 0.20 -0.89 0.02 0.00 -0.27 0.00 0.00 57.70 56.77 1iad n MET 124 Cb 0.23 -0.83 0.37 0.00 2.15 0.00 0.00 33.22 35.15 1iad n MET 124 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 1iad h THR 125 N 0.82 1.14 0.00 1.12 1.35 -1.71 -2.09 112.91 113.55 1iad h THR 125 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1iad h THR 125 Cb 0.51 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1iad h THR 125 CO 0.00 0.17 0.09 0.28 -0.25 0.00 0.00 175.52 175.80 1iad h SER 126 N 0.55 0.00 0.21 5.36 0.02 -1.91 -1.31 113.55 116.47 1iad h SER 126 Ca 0.14 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1iad h SER 126 Cb 0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1iad h SER 126 CO -0.02 0.00 -0.00 0.78 -1.14 0.00 0.00 176.83 176.45 1iad h ASN 127 N 0.00 0.00 -0.11 3.07 2.35 -1.77 -1.20 115.58 117.91 1iad h ASN 127 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iad h ASN 127 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1iad h ASN 127 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1iad n PHE 128 N -3.14 0.13 -1.63 1.19 3.72 -0.50 -4.96 117.46 112.27 1iad n PHE 128 Ca -0.02 -0.07 -0.47 0.00 -0.05 0.00 0.00 57.45 56.84 1iad n PHE 128 Cb 0.12 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 1iad n PHE 128 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1iad n ASP 129 N 0.56 2.34 -4.74 4.37 8.00 -0.46 -4.88 116.55 121.73 1iad n ASP 129 Ca 0.17 1.12 -0.41 0.00 0.71 0.00 0.00 54.79 56.38 1iad n ASP 129 Cb 0.41 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.15 1iad n ASP 129 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1iad s ILE 130 N 0.32 2.97 -1.10 0.53 1.01 -1.26 -4.77 121.20 118.89 1iad s ILE 130 Ca 0.76 0.81 -0.22 0.00 0.00 0.00 0.00 60.65 62.00 1iad s ILE 130 Cb -0.76 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.23 1iad s ILE 130 CO 0.46 0.13 1.60 -1.81 0.00 0.00 0.00 174.94 175.32 1iad s ASP 131 N 0.30 6.42 0.40 3.58 1.01 -0.64 -4.80 116.67 122.94 1iad s ASP 131 Ca 0.57 -1.70 0.08 0.00 0.71 0.00 0.00 52.55 52.21 1iad s ASP 131 Cb -0.39 -2.57 0.85 0.00 1.01 0.00 0.00 42.92 41.82 1iad s ASP 131 CO 0.41 -1.58 2.01 0.74 0.21 0.00 0.00 175.17 176.95 1iad h THR 132 N 6.43 1.04 -2.72 -1.27 2.02 -1.91 -3.25 112.91 113.25 1iad h THR 132 Ca 0.27 -0.21 -0.79 0.00 0.77 0.00 0.00 66.41 66.46 1iad h THR 132 Cb 0.96 0.38 -0.24 0.00 -1.74 0.00 0.00 68.15 67.51 1iad h THR 132 CO 1.41 0.11 1.00 -1.22 0.37 0.00 0.00 175.52 177.19 1iad n TYR 133 N -4.47 3.76 -4.09 3.16 4.01 -1.26 -4.95 117.16 113.33 1iad n TYR 133 Ca 0.07 -3.16 -0.12 0.00 -0.16 0.00 0.00 57.90 54.53 1iad n TYR 133 Cb 0.18 -1.67 -0.06 0.00 -0.31 0.00 0.00 39.34 37.47 1iad n TYR 133 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1iad s SER 134 N 0.39 0.38 0.04 7.72 1.04 -1.23 -4.23 113.70 117.82 1iad s SER 134 Ca 0.34 -1.26 0.03 0.00 0.48 0.00 0.00 55.95 55.54 1iad s SER 134 Cb -0.00 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1iad s SER 134 CO 0.01 -1.13 -0.09 0.00 0.98 0.00 0.00 173.24 173.02 1iad s ARG 135 N -3.69 0.57 0.44 4.02 1.70 -0.42 -4.76 118.95 116.82 1iad s ARG 135 Ca 0.30 -0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 54.66 1iad s ARG 135 Cb 0.01 -0.40 -0.08 0.00 -0.57 0.00 0.00 34.95 33.91 1iad s ARG 135 CO 0.14 0.08 0.88 0.71 -1.08 0.00 0.00 175.30 176.03 1iad s TYR 136 N -1.26 3.42 -0.30 5.89 2.02 -1.26 -0.92 117.35 124.94 1iad s TYR 136 Ca -0.08 1.33 0.19 0.00 -0.37 0.00 0.00 57.07 58.14 1iad s TYR 136 Cb -0.09 -2.66 0.48 0.00 -0.40 0.00 0.00 41.96 39.28 1iad s TYR 136 CO 0.01 -0.18 1.02 1.33 -1.57 0.00 0.00 175.55 176.16 1iad n VAL 137 N -1.15 1.20 0.00 0.71 0.24 -1.26 -4.93 118.33 113.15 1iad n VAL 137 Ca 0.05 -3.13 0.00 0.00 -2.04 0.00 0.00 64.34 59.22 1iad n VAL 137 Cb 0.54 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1iad n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iad n GLY 138 N -0.29 0.86 3.04 7.63 0.00 -1.26 -4.52 105.19 110.65 1iad n GLY 138 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1iad n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iad s GLU 139 N -0.41 0.64 0.79 1.61 0.41 -1.26 -5.06 118.70 115.42 1iad s GLU 139 Ca 0.00 -0.49 -0.12 0.00 -0.41 0.00 0.00 54.97 53.95 1iad s GLU 139 Cb 0.00 -0.57 0.07 0.00 -1.78 0.00 0.00 34.13 31.85 1iad s GLU 139 CO 0.00 0.14 1.17 -0.51 -0.49 0.00 0.00 175.26 175.57 1iad s ASP 140 N -0.75 4.63 0.20 -0.19 1.01 -1.26 -4.99 116.67 115.33 1iad s ASP 140 Ca -0.01 0.82 -0.32 0.00 0.71 0.00 0.00 52.55 53.75 1iad s ASP 140 Cb -0.06 -1.36 -0.12 0.00 1.01 0.00 0.00 42.92 42.39 1iad s ASP 140 CO 0.00 -1.83 1.68 0.00 0.21 0.00 0.00 175.17 175.23 1iad n TYR 141 N -3.27 2.64 -4.04 4.23 4.19 -1.26 -5.01 117.16 114.64 1iad n TYR 141 Ca 0.08 0.11 -0.32 0.00 3.31 0.00 0.00 57.90 61.09 1iad n TYR 141 Cb 0.60 -2.64 -0.15 0.00 0.49 0.00 0.00 39.34 37.65 1iad n TYR 141 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1iad s GLN 142 N 0.95 2.05 0.52 2.98 -1.52 -1.26 -5.01 119.66 118.37 1iad s GLN 142 Ca 0.75 -1.31 0.29 0.00 -1.95 0.00 0.00 55.36 53.13 1iad s GLN 142 Cb -0.55 -2.85 1.41 0.00 -0.22 0.00 0.00 33.01 30.81 1iad s GLN 142 CO 0.35 -0.61 1.88 1.88 -0.25 0.00 0.00 175.29 178.55 1iad h TYR 143 N 7.80 0.10 -0.57 0.91 0.05 -2.00 -1.99 116.97 121.28 1iad h TYR 143 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1iad h TYR 143 Cb 1.04 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.75 1iad h TYR 143 CO 0.60 0.02 0.00 0.66 -1.05 0.00 0.00 178.16 178.39 1iad n TYR 144 N -4.32 0.75 -1.47 4.88 4.01 -1.26 -4.81 117.16 114.94 1iad n TYR 144 Ca 0.19 -0.42 -0.43 0.00 -0.16 0.00 0.00 57.90 57.08 1iad n TYR 144 Cb 0.91 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 1iad n TYR 144 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1iad n SER 145 N 1.43 -0.56 0.26 7.72 2.88 -0.75 -4.77 113.62 119.84 1iad n SER 145 Ca 0.21 0.97 0.18 0.00 -1.33 0.00 0.00 58.87 58.90 1iad n SER 145 Cb 0.58 -1.13 0.91 0.00 -0.75 0.00 0.00 64.21 63.82 1iad n SER 145 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1iad h ILE 146 N 1.00 0.00 -0.05 2.46 6.09 -1.91 -1.33 117.51 123.77 1iad h ILE 146 Ca -0.39 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1iad h ILE 146 Cb 1.39 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.60 1iad h ILE 146 CO 0.53 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.84 1iad n MET 147 N -2.78 1.84 -3.54 2.19 2.81 -1.26 -4.65 117.12 111.73 1iad n MET 147 Ca -0.02 -1.23 -0.33 0.00 -1.81 0.00 0.00 57.70 54.31 1iad n MET 147 Cb 0.11 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.10 1iad n MET 147 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1iad s HIS 148 N -1.95 3.52 0.51 2.03 5.65 -0.50 -0.82 115.29 123.72 1iad s HIS 148 Ca 0.35 0.77 0.09 0.00 0.25 0.00 0.00 55.06 56.52 1iad s HIS 148 Cb 0.20 -2.16 0.05 0.00 -1.18 0.00 0.00 32.58 29.50 1iad s HIS 148 CO 0.32 0.43 0.70 0.71 -0.65 0.00 0.00 174.74 176.24 1iad s TYR 149 N -1.58 2.05 0.60 3.88 2.02 -1.26 -4.27 117.35 118.79 1iad s TYR 149 Ca 0.39 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1iad s TYR 149 Cb -0.13 -2.31 0.06 0.00 -0.40 0.00 0.00 41.96 39.18 1iad s TYR 149 CO 0.21 -0.84 0.84 0.20 -1.57 0.00 0.00 175.55 174.38 1iad s GLY 150 N -4.53 1.80 0.58 0.71 0.00 -1.19 -4.49 107.32 100.21 1iad s GLY 150 Ca 0.59 -1.42 0.28 0.00 0.00 0.00 0.00 44.72 44.17 1iad s GLY 150 CO 0.36 -1.06 2.17 0.07 0.00 0.00 0.00 173.10 174.65 1iad h LYS 151 N -0.10 0.00 -0.29 2.90 2.10 -1.69 -2.94 116.57 116.56 1iad h LYS 151 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1iad h LYS 151 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1iad h LYS 151 CO 0.50 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.61 1iad n TYR 152 N -3.90 0.37 -1.66 0.07 4.01 -1.26 0.04 117.16 114.83 1iad n TYR 152 Ca -0.01 -0.23 -0.51 0.00 -0.16 0.00 0.00 57.90 56.99 1iad n TYR 152 Cb 0.20 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 1iad n TYR 152 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1iad n SER 153 N 1.13 2.55 -0.93 7.72 7.64 -1.11 -0.70 113.62 129.91 1iad n SER 153 Ca 0.15 1.07 -0.12 0.00 1.01 0.00 0.00 58.87 60.98 1iad n SER 153 Cb 0.51 -1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 1iad n SER 153 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iad n PHE 154 N 4.26 0.00 -1.97 1.43 3.72 -1.26 -4.70 117.46 118.94 1iad n PHE 154 Ca 0.21 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.22 1iad n PHE 154 Cb 0.22 -2.36 0.01 0.00 -0.94 0.00 0.00 39.48 36.40 1iad n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iad s SER 155 N -2.72 6.05 0.26 4.37 0.15 0.12 -0.32 113.70 121.61 1iad s SER 155 Ca 0.00 2.70 0.23 0.00 0.70 0.00 0.00 55.95 59.58 1iad s SER 155 Cb 0.00 -2.64 0.99 0.00 -1.71 0.00 0.00 66.02 62.66 1iad s SER 155 CO 0.00 -1.03 1.69 2.30 1.20 0.00 0.00 173.24 177.39 1iad n ILE 156 N -0.17 0.88 -3.11 6.45 -5.35 -0.21 -4.19 119.36 113.66 1iad n ILE 156 Ca 0.05 0.31 -0.19 0.00 -0.27 0.00 0.00 62.75 62.66 1iad n ILE 156 Cb 0.44 -1.25 -0.05 0.00 -1.74 0.00 0.00 39.64 37.04 1iad n ILE 156 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1iad n GLN 157 N -2.21 0.49 -1.66 6.28 7.27 -1.26 -5.03 117.38 121.25 1iad n GLN 157 Ca 0.02 -2.74 -0.48 0.00 0.07 0.00 0.00 57.00 53.86 1iad n GLN 157 Cb 0.19 -1.47 -0.05 0.00 2.41 0.00 0.00 30.24 31.32 1iad n GLN 157 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1iad n TRP 158 N 2.29 2.15 0.00 3.69 -0.00 -1.26 -1.35 117.44 122.95 1iad n TRP 158 Ca 0.22 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 1iad n TRP 158 Cb 0.53 -2.53 0.00 0.00 -0.00 0.00 0.00 31.31 29.31 1iad n TRP 158 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iad n GLY 159 N 3.50 1.84 0.98 5.87 0.00 -1.26 -4.83 105.19 111.29 1iad n GLY 159 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 1iad n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iad n VAL 160 N -2.00 0.37 -3.70 1.61 0.31 -0.46 -5.02 118.33 109.44 1iad n VAL 160 Ca 0.00 0.09 -0.37 0.00 -0.01 0.00 0.00 64.34 64.05 1iad n VAL 160 Cb 0.00 -1.54 -0.12 0.00 -0.91 0.00 0.00 33.84 31.27 1iad n VAL 160 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iad s LEU 161 N -6.31 3.76 0.18 7.52 1.43 -0.49 -5.06 118.68 119.70 1iad s LEU 161 Ca -0.01 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 1iad s LEU 161 Cb 0.00 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 44.17 1iad s LEU 161 CO 0.02 -0.10 0.78 -1.61 0.23 0.00 0.00 176.35 175.67 1iad s GLU 162 N 1.63 4.54 -0.18 1.70 2.02 -1.26 -4.67 118.70 122.47 1iad s GLU 162 Ca 0.06 1.14 0.09 0.00 0.02 0.00 0.00 54.97 56.28 1iad s GLU 162 Cb -0.16 -3.21 -0.17 0.00 0.10 0.00 0.00 34.13 30.68 1iad s GLU 162 CO 0.05 0.55 -0.05 0.25 0.02 0.00 0.00 175.26 176.08 1iad n THR 163 N 1.49 1.16 -3.87 3.63 -2.24 0.11 -4.64 114.28 109.91 1iad n THR 163 Ca -0.05 -0.60 -0.36 0.00 -2.27 0.00 0.00 64.05 60.78 1iad n THR 163 Cb 0.49 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.73 1iad n THR 163 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iad s ILE 164 N -2.41 3.37 -0.25 2.28 1.01 -0.98 -0.28 121.20 123.94 1iad s ILE 164 Ca -0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 1iad s ILE 164 Cb 0.06 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1iad s ILE 164 CO 0.59 0.18 -0.05 -0.69 0.00 0.00 0.00 174.94 174.98 1iad s VAL 165 N 1.41 3.06 0.32 2.92 1.01 -0.59 -4.45 120.40 124.09 1iad s VAL 165 Ca 0.02 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 1iad s VAL 165 Cb -0.17 -2.52 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 1iad s VAL 165 CO -0.02 0.24 1.40 -2.16 0.00 0.00 0.00 175.10 174.56 1iad s PRO 166 N 1.37 4.26 0.44 2.72 0.04 -1.26 -1.35 135.00 141.22 1iad s PRO 166 Ca 0.02 2.35 0.23 0.00 0.04 0.00 0.00 61.00 63.64 1iad s PRO 166 Cb -0.16 -3.05 0.38 0.00 0.04 0.00 0.00 34.50 31.71 1iad s PRO 166 CO -0.04 -0.36 1.62 -0.07 0.04 0.00 0.00 177.00 178.20 1iad h LEU 167 N 3.73 0.00 -9.92 -3.56 3.38 -1.22 -3.47 115.31 104.25 1iad h LEU 167 Ca -0.49 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.95 1iad h LEU 167 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1iad h LEU 167 CO 0.69 0.03 -0.05 -1.10 0.09 0.00 0.00 178.44 178.10 1iad s GLN 168 N -3.22 3.94 0.05 1.13 -0.21 -1.26 -5.02 119.66 115.07 1iad s GLN 168 Ca 0.06 0.48 -0.34 0.00 0.02 0.00 0.00 55.36 55.58 1iad s GLN 168 Cb 0.05 -2.74 -0.13 0.00 1.00 0.00 0.00 33.01 31.20 1iad s GLN 168 CO 0.67 0.36 1.71 -1.71 -2.12 0.00 0.00 175.29 174.19 1iad n ASN 169 N 0.25 3.21 0.00 5.90 5.15 -1.26 -3.75 115.26 124.76 1iad n ASN 169 Ca -0.01 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 1iad n ASN 169 Cb 0.52 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 1iad n ASN 169 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iad n GLY 170 N 3.84 0.75 3.74 8.20 0.00 -1.26 -5.02 105.19 115.43 1iad n GLY 170 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1iad n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iad s ILE 171 N -2.14 5.11 -0.28 -0.61 -1.09 -1.25 -5.03 121.20 115.92 1iad s ILE 171 Ca 0.00 1.03 0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1iad s ILE 171 Cb 0.00 -3.84 0.06 0.00 -1.58 0.00 0.00 42.46 37.10 1iad s ILE 171 CO 0.00 0.37 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.39 1iad s ASP 172 N 0.29 4.59 -0.30 3.58 2.15 -1.26 -4.88 116.67 120.84 1iad s ASP 172 Ca 0.27 -1.45 -0.29 0.00 0.43 0.00 0.00 52.55 51.51 1iad s ASP 172 Cb -0.16 -1.60 0.01 0.00 -0.30 0.00 0.00 42.92 40.87 1iad s ASP 172 CO 0.12 -0.23 1.14 -0.76 -0.17 0.00 0.00 175.17 175.28 1iad s LEU 173 N 1.12 3.95 0.33 -1.34 1.43 -1.26 -5.04 118.68 117.87 1iad s LEU 173 Ca -0.06 1.16 0.09 0.00 -1.03 0.00 0.00 54.13 54.29 1iad s LEU 173 Cb -0.20 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1iad s LEU 173 CO -0.04 -0.90 0.07 0.42 0.23 0.00 0.00 176.35 176.12 1iad s THR 174 N 3.78 2.88 0.61 5.49 -4.23 -1.26 -2.40 115.64 120.51 1iad s THR 174 Ca 0.49 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1iad s THR 174 Cb -0.14 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1iad s THR 174 CO 0.16 -0.21 0.95 -1.81 -0.54 0.00 0.00 174.62 173.17 1iad s ASP 175 N -3.77 5.63 0.42 3.99 1.01 -1.26 -3.18 116.67 119.52 1iad s ASP 175 Ca 0.36 0.87 0.11 0.00 0.71 0.00 0.00 52.55 54.59 1iad s ASP 175 Cb -0.02 -1.84 0.95 0.00 1.01 0.00 0.00 42.92 43.03 1iad s ASP 175 CO 0.21 -1.09 2.02 -0.65 0.21 0.00 0.00 175.17 175.87 1iad h PRO 176 N -0.28 0.46 0.00 8.23 0.11 -1.86 0.75 132.00 139.41 1iad h PRO 176 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iad h PRO 176 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iad h PRO 176 CO 0.62 0.30 -0.02 0.10 -0.21 0.00 0.00 178.00 178.79 1iad h TYR 177 N 0.47 0.00 0.00 0.65 -0.00 -1.92 -1.00 116.97 115.18 1iad h TYR 177 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 1iad h TYR 177 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.98 1iad h TYR 177 CO -0.00 0.02 0.00 -0.25 -0.00 0.00 0.00 178.16 177.93 1iad n ASP 178 N -3.22 0.54 -4.78 0.10 8.00 0.25 -4.65 116.55 112.81 1iad n ASP 178 Ca -0.02 0.55 -0.39 0.00 0.71 0.00 0.00 54.79 55.65 1iad n ASP 178 Cb 0.18 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.52 1iad n ASP 178 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iad s LYS 179 N -3.07 4.27 0.18 -1.24 -0.14 -0.38 -4.97 119.74 114.39 1iad s LYS 179 Ca 0.12 0.72 0.06 0.00 -1.36 0.00 0.00 55.97 55.50 1iad s LYS 179 Cb 0.14 -3.31 0.04 0.00 -1.68 0.00 0.00 37.83 33.03 1iad s LYS 179 CO 0.57 0.46 1.42 0.00 -0.76 0.00 0.00 175.35 177.04 1iad h ALA 180 N 5.28 0.60 -2.65 5.17 0.00 -1.87 -3.29 119.26 122.51 1iad h ALA 180 Ca -0.47 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 53.65 1iad h ALA 180 Cb 1.20 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1iad h ALA 180 CO 0.67 0.97 -0.06 -1.01 0.00 0.00 0.00 179.25 179.82 1iad s HIS 181 N -3.19 -0.27 0.58 0.00 3.76 -1.26 -4.79 115.29 110.12 1iad s HIS 181 Ca -0.01 0.11 -0.15 0.00 -0.15 0.00 0.00 55.06 54.86 1iad s HIS 181 Cb 0.11 0.27 -0.05 0.00 1.11 0.00 0.00 32.58 34.02 1iad s HIS 181 CO 0.81 -0.65 1.03 0.00 -0.85 0.00 0.00 174.74 175.07 1iad s MET 182 N -3.13 3.53 0.60 1.40 0.23 -1.26 -4.84 119.30 115.84 1iad s MET 182 Ca -0.01 1.04 -0.13 0.00 -1.03 0.00 0.00 55.69 55.55 1iad s MET 182 Cb 0.00 -2.07 -0.04 0.00 -1.53 0.00 0.00 34.83 31.20 1iad s MET 182 CO -0.07 -0.62 1.03 -0.51 -2.03 0.00 0.00 175.02 172.82 1iad s LEU 183 N -4.54 3.37 0.29 0.18 1.43 -1.26 -4.94 118.68 113.22 1iad s LEU 183 Ca 0.60 1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 55.28 1iad s LEU 183 Cb -0.13 -4.50 0.47 0.00 0.03 0.00 0.00 46.19 42.06 1iad s LEU 183 CO 0.39 -0.98 1.93 -0.61 0.23 0.00 0.00 176.35 177.30 1iad h GLN 184 N 0.07 1.07 0.00 1.70 5.75 -2.00 -1.11 115.11 120.60 1iad h GLN 184 Ca -0.45 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 1iad h GLN 184 Cb 1.20 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 1iad h GLN 184 CO 0.60 0.71 -0.08 1.79 -2.65 0.00 0.00 178.83 179.19 1iad h THR 185 N 1.10 0.76 -0.07 2.39 1.35 -1.99 0.31 112.91 116.76 1iad h THR 185 Ca 0.37 -0.31 -0.09 0.00 -0.55 0.00 0.00 66.41 65.84 1iad h THR 185 Cb 0.08 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1iad h THR 185 CO -0.12 0.08 -0.30 0.44 -0.25 0.00 0.00 175.52 175.37 1iad h ASP 186 N 0.00 0.38 -0.54 5.36 3.32 -1.58 -2.29 116.42 121.07 1iad h ASP 186 Ca -0.00 -0.64 0.01 0.00 0.02 0.00 0.00 57.03 56.42 1iad h ASP 186 Cb 0.17 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1iad h ASP 186 CO 0.01 0.96 0.35 0.00 -1.72 0.00 0.00 179.24 178.84 1iad h ALA 187 N 0.43 0.69 -0.89 3.45 0.00 -1.02 -2.77 119.26 119.15 1iad h ALA 187 Ca -0.02 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1iad h ALA 187 Cb 0.95 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1iad h ALA 187 CO 0.06 0.11 0.55 -0.91 0.00 0.00 0.00 179.25 179.06 1iad h ASN 188 N 0.72 0.84 -0.48 0.00 2.35 -1.00 -1.82 115.58 116.18 1iad h ASN 188 Ca 0.20 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 1iad h ASN 188 Cb -0.06 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1iad h ASN 188 CO -0.05 0.52 0.05 1.56 -1.65 0.00 0.00 177.43 177.85 1iad h GLN 189 N 0.97 0.88 0.02 0.81 4.20 -1.19 -0.94 115.11 119.85 1iad h GLN 189 Ca 0.40 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1iad h GLN 189 Cb 0.24 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1iad h GLN 189 CO -0.20 0.84 -0.01 0.82 -0.67 0.00 0.00 178.83 179.62 1iad h ILE 190 N 0.82 1.25 -0.44 2.54 2.04 -1.15 -1.63 117.51 120.93 1iad h ILE 190 Ca 0.16 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1iad h ILE 190 Cb 0.42 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1iad h ILE 190 CO 0.01 0.21 0.23 0.78 0.00 0.00 0.00 178.15 179.38 1iad h ASN 191 N -0.37 0.57 -0.22 1.72 2.35 -1.30 0.20 115.58 118.53 1iad h ASN 191 Ca -0.00 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1iad h ASN 191 Cb 0.36 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1iad h ASN 191 CO 0.00 0.51 0.03 0.78 -1.65 0.00 0.00 177.43 177.10 1iad h ASN 192 N 0.58 -0.02 -0.60 5.81 2.35 -1.18 -1.26 115.58 121.26 1iad h ASN 192 Ca 0.15 0.04 0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1iad h ASN 192 Cb 0.08 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.44 1iad h ASN 192 CO -0.02 0.02 0.19 0.25 -1.65 0.00 0.00 177.43 176.22 1iad h LEU 193 N 0.11 0.14 -2.16 1.61 5.85 -1.00 -2.93 115.31 116.94 1iad h LEU 193 Ca 0.10 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1iad h LEU 193 Cb 0.11 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1iad h LEU 193 CO -0.15 0.09 0.00 -1.22 -0.34 0.00 0.00 178.44 176.82 1iad n TYR 194 N -5.05 0.99 -0.29 1.25 4.02 0.68 -4.45 117.16 114.31 1iad n TYR 194 Ca 0.09 -0.36 0.03 0.00 -0.01 0.00 0.00 57.90 57.64 1iad n TYR 194 Cb 0.29 -0.24 0.17 0.00 -0.02 0.00 0.00 39.34 39.54 1iad n TYR 194 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1iad h THR 195 N 2.26 0.88 0.15 -0.72 2.02 -1.05 0.14 112.91 116.60 1iad h THR 195 Ca 0.00 -0.26 -0.32 0.00 0.77 0.00 0.00 66.41 66.61 1iad h THR 195 Cb 1.11 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1iad h THR 195 CO 0.20 0.14 -1.55 0.78 0.37 0.00 0.00 175.52 175.45 1iad h ASN 196 N 0.75 0.51 -0.88 4.18 -0.26 -1.85 -1.21 115.58 116.81 1iad h ASN 196 Ca 0.40 -0.68 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 1iad h ASN 196 Cb 0.40 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.45 1iad h ASN 196 CO -0.26 1.56 0.53 -0.33 -1.06 0.00 0.00 177.43 177.86 1iad h GLU 197 N 0.09 1.21 -0.21 0.81 4.39 -1.75 -2.76 114.58 116.36 1iad h GLU 197 Ca -0.26 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1iad h GLU 197 Cb 2.05 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 1iad h GLU 197 CO 0.19 0.85 0.00 0.00 -1.16 0.00 0.00 179.01 178.89 1iad n SER 199 N 0.55 -1.91 0.00 0.00 7.64 -1.04 -5.05 113.62 113.81 1iad n SER 199 Ca 0.17 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1iad n SER 199 Cb 0.38 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 1iad n SER 199 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21