#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwp s THR 5 N 0.00 2.94 0.29 3.15 -1.32 -1.26 -5.00 115.64 114.43 1iwp s THR 5 Ca 0.00 -0.73 0.03 0.00 -1.21 0.00 0.00 61.69 59.78 1iwp s THR 5 Cb 0.00 -2.18 -0.03 0.00 -1.51 0.00 0.00 72.50 68.77 1iwp s THR 5 CO 0.00 0.56 0.44 -0.04 -2.21 0.00 0.00 174.62 173.37 1iwp s MET 6 N -0.13 3.46 0.14 7.08 -1.94 -1.26 -5.12 119.30 121.52 1iwp s MET 6 Ca -0.01 -0.57 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1iwp s MET 6 Cb -0.14 -2.79 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 1iwp s MET 6 CO 0.04 0.30 -0.09 0.50 -0.01 0.00 0.00 175.02 175.76 1iwp s ARG 7 N -4.13 1.01 0.26 2.03 6.06 -1.26 -4.75 118.95 118.17 1iwp s ARG 7 Ca 0.37 -1.43 -0.03 0.00 -2.50 0.00 0.00 55.73 52.14 1iwp s ARG 7 Cb -0.09 -0.53 0.54 0.00 0.06 0.00 0.00 34.95 34.93 1iwp s ARG 7 CO 0.32 0.05 1.65 0.28 -2.50 0.00 0.00 175.30 175.11 1iwp h VAL 8 N 2.82 0.38 0.00 7.11 2.07 -1.91 0.41 116.25 127.12 1iwp h VAL 8 Ca -0.36 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1iwp h VAL 8 Cb 1.19 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1iwp h VAL 8 CO 0.64 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.26 1iwp n GLN 9 N -5.25 0.34 -0.01 1.57 -0.00 -1.26 -1.13 117.38 111.63 1iwp n GLN 9 Ca 0.16 0.06 0.13 0.00 -0.00 0.00 0.00 57.00 57.35 1iwp n GLN 9 Cb 0.54 -1.50 0.38 0.00 -0.00 0.00 0.00 30.24 29.66 1iwp n GLN 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1iwp n ASP 10 N -1.10 2.03 -4.67 2.61 8.00 0.14 -4.86 116.55 118.70 1iwp n ASP 10 Ca 0.09 -1.68 -0.34 0.00 0.71 0.00 0.00 54.79 53.56 1iwp n ASP 10 Cb 0.07 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 1iwp n ASP 10 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1iwp s TYR 11 N -1.96 3.13 0.29 1.24 6.14 -0.29 -2.78 117.35 123.12 1iwp s TYR 11 Ca 0.35 0.16 -0.29 0.00 0.64 0.00 0.00 57.07 57.93 1iwp s TYR 11 Cb 0.20 -1.76 -0.10 0.00 0.42 0.00 0.00 41.96 40.72 1iwp s TYR 11 CO 0.32 0.46 1.25 -1.25 0.64 0.00 0.00 175.55 176.96 1iwp s PRO 12 N -0.98 4.44 0.44 4.97 0.04 -1.26 -4.94 135.00 137.71 1iwp s PRO 12 Ca 0.14 2.07 0.10 0.00 0.04 0.00 0.00 61.00 63.35 1iwp s PRO 12 Cb -0.11 -3.13 0.97 0.00 0.04 0.00 0.00 34.50 32.27 1iwp s PRO 12 CO 0.03 -0.09 2.07 -0.07 0.04 0.00 0.00 177.00 178.98 1iwp h LEU 13 N 3.91 0.29 -1.69 -3.56 3.38 -1.89 -0.61 115.31 115.15 1iwp h LEU 13 Ca -0.47 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1iwp h LEU 13 Cb 1.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1iwp h LEU 13 CO 0.68 0.24 -0.18 0.00 0.09 0.00 0.00 178.44 179.28 1iwp h ALA 14 N 1.81 1.30 0.00 1.53 0.00 -1.86 -0.34 119.26 121.70 1iwp h ALA 14 Ca 0.09 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 1iwp h ALA 14 Cb 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1iwp h ALA 14 CO -0.01 0.22 -2.37 -2.37 0.00 0.00 0.00 179.25 174.72 1iwp n THR 15 N -3.74 1.37 0.00 0.00 5.66 -0.86 -4.24 114.28 112.48 1iwp n THR 15 Ca -0.02 -0.52 -0.20 0.00 -3.05 0.00 0.00 64.05 60.26 1iwp n THR 15 Cb 0.29 -1.37 -0.14 0.00 -1.55 0.00 0.00 70.33 67.56 1iwp n THR 15 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1iwp h ARG 16 N -0.03 0.21 -1.84 1.09 2.47 -1.17 -3.41 114.38 111.70 1iwp h ARG 16 Ca -0.54 -0.37 -0.52 0.00 -1.26 0.00 0.00 59.98 57.29 1iwp h ARG 16 Cb 1.82 0.14 -0.41 0.00 -1.65 0.00 0.00 29.97 29.86 1iwp h ARG 16 CO -0.09 1.18 -0.90 0.00 0.56 0.00 0.00 179.97 180.71 1iwp h PRO 18 N 2.90 0.54 -0.89 0.00 0.11 -1.58 -2.35 132.00 130.74 1iwp h PRO 18 Ca 0.12 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.38 1iwp h PRO 18 Cb 0.83 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 31.71 1iwp h PRO 18 CO 0.69 0.36 0.44 0.93 -0.21 0.00 0.00 178.00 180.21 1iwp h GLU 19 N 0.55 0.54 0.00 1.05 3.07 -1.91 0.18 114.58 118.06 1iwp h GLU 19 Ca 0.41 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1iwp h GLU 19 Cb 0.55 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1iwp h GLU 19 CO -0.35 0.36 0.00 0.72 -1.40 0.00 0.00 179.01 178.34 1iwp n HIS 20 N -4.92 0.00 -3.21 4.33 8.25 -0.88 -4.63 115.22 114.15 1iwp n HIS 20 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 1iwp n HIS 20 Cb 0.54 -0.29 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 1iwp n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1iwp s ILE 21 N -2.59 4.97 0.05 1.59 1.01 0.63 -4.80 121.20 122.06 1iwp s ILE 21 Ca 0.15 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1iwp s ILE 21 Cb 0.11 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1iwp s ILE 21 CO 0.25 -0.39 -0.19 -0.76 0.00 0.00 0.00 174.94 173.86 1iwp s LEU 22 N 2.48 2.19 0.74 2.97 1.43 -1.26 -2.51 118.68 124.71 1iwp s LEU 22 Ca 0.19 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1iwp s LEU 22 Cb -0.15 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.24 1iwp s LEU 22 CO 0.15 0.11 1.08 0.42 0.23 0.00 0.00 176.35 178.34 1iwp s THR 23 N -0.88 3.62 0.57 5.49 -4.23 0.50 -3.96 115.64 116.76 1iwp s THR 23 Ca 0.06 0.53 0.27 0.00 -1.18 0.00 0.00 61.69 61.36 1iwp s THR 23 Cb -0.09 -3.12 0.34 0.00 1.34 0.00 0.00 72.50 70.97 1iwp s THR 23 CO 0.02 -0.69 2.23 1.55 -0.54 0.00 0.00 174.62 177.20 1iwp h PRO 24 N -0.96 0.00 0.00 3.99 0.13 -1.76 0.00 132.00 133.41 1iwp h PRO 24 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1iwp h PRO 24 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iwp h PRO 24 CO 0.54 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.56 1iwp n THR 25 N -3.99 0.00 0.00 1.56 -2.24 -1.26 -4.87 114.28 103.47 1iwp n THR 25 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1iwp n THR 25 Cb 0.09 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1iwp n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwp n GLY 26 N 0.54 2.14 3.76 3.38 0.00 -0.01 -5.05 105.19 109.96 1iwp n GLY 26 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1iwp n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwp s LYS 27 N -0.59 4.48 0.58 1.61 1.02 -1.26 -4.69 119.74 120.89 1iwp s LYS 27 Ca 0.00 1.99 -0.15 0.00 0.02 0.00 0.00 55.97 57.83 1iwp s LYS 27 Cb 0.00 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1iwp s LYS 27 CO 0.00 0.00 1.04 -1.25 -0.92 0.00 0.00 175.35 174.22 1iwp s PRO 28 N -1.65 3.45 0.29 -1.68 0.04 -1.26 -0.37 135.00 133.82 1iwp s PRO 28 Ca 0.47 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.66 1iwp s PRO 28 Cb -0.35 -2.06 0.72 0.00 0.04 0.00 0.00 34.50 32.85 1iwp s PRO 28 CO 0.46 -0.69 1.71 1.25 0.04 0.00 0.00 177.00 179.77 1iwp h LEU 29 N 0.44 0.41 -0.02 -3.56 6.46 -1.76 0.26 115.31 117.54 1iwp h LEU 29 Ca -0.46 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1iwp h LEU 29 Cb 1.21 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1iwp h LEU 29 CO 0.59 0.05 0.02 0.35 -0.62 0.00 0.00 178.44 178.83 1iwp n THR 30 N -4.99 1.89 0.12 1.05 -2.24 -1.26 -1.25 114.28 107.61 1iwp n THR 30 Ca 0.22 0.50 0.05 0.00 -2.27 0.00 0.00 64.05 62.56 1iwp n THR 30 Cb 0.63 -1.50 0.02 0.00 -2.10 0.00 0.00 70.33 67.38 1iwp n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1iwp h ASP 31 N 0.00 0.00 -1.38 3.42 5.19 -0.82 -3.41 116.42 119.42 1iwp h ASP 31 Ca 0.00 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.74 1iwp h ASP 31 Cb 0.05 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.44 1iwp h ASP 31 CO 0.00 0.33 1.68 -0.63 -3.12 0.00 0.00 179.24 177.49 1iwp s ILE 32 N -3.08 4.32 0.27 0.35 1.09 -0.38 -4.60 121.20 119.17 1iwp s ILE 32 Ca 0.02 -1.70 0.05 0.00 -1.10 0.00 0.00 60.65 57.92 1iwp s ILE 32 Cb 0.08 -5.05 -0.06 0.00 -1.06 0.00 0.00 42.46 36.37 1iwp s ILE 32 CO 0.75 -1.86 -0.03 0.42 -0.10 0.00 0.00 174.94 174.12 1iwp s THR 33 N 3.73 1.41 0.23 2.92 -4.23 -1.26 -5.03 115.64 113.42 1iwp s THR 33 Ca 0.47 -2.08 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1iwp s THR 33 Cb 0.00 -2.44 0.19 0.00 1.34 0.00 0.00 72.50 71.60 1iwp s THR 33 CO -0.01 -0.29 1.81 -0.07 -0.54 0.00 0.00 174.62 175.52 1iwp h LEU 34 N 2.33 0.62 0.26 4.79 3.38 -1.99 -1.17 115.31 123.54 1iwp h LEU 34 Ca -0.39 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1iwp h LEU 34 Cb 1.23 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1iwp h LEU 34 CO 0.67 0.36 -0.47 -0.33 0.09 0.00 0.00 178.44 178.76 1iwp h GLU 35 N 0.74 -0.75 0.00 1.13 3.07 -1.95 0.33 114.58 117.15 1iwp h GLU 35 Ca 0.37 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1iwp h GLU 35 Cb 0.32 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1iwp h GLU 35 CO -0.24 -0.50 0.00 0.87 -1.40 0.00 0.00 179.01 177.74 1iwp h LYS 36 N -0.78 0.00 0.00 2.33 1.57 -1.75 -0.65 116.57 117.28 1iwp h LYS 36 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iwp h LYS 36 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1iwp h LYS 36 CO -0.17 0.00 -0.00 0.28 -0.57 0.00 0.00 179.45 178.99 1iwp h VAL 37 N 0.00 1.63 -0.63 0.50 2.07 -0.53 0.29 116.25 119.58 1iwp h VAL 37 Ca 0.00 -2.22 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 1iwp h VAL 37 Cb 0.29 3.07 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1iwp h VAL 37 CO 0.00 0.55 0.30 -0.07 0.02 0.00 0.00 177.57 178.37 1iwp h LEU 38 N -1.00 0.80 -0.92 2.57 3.38 -0.13 -2.00 115.31 118.02 1iwp h LEU 38 Ca -0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1iwp h LEU 38 Cb 0.90 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1iwp h LEU 38 CO 0.00 0.68 -0.54 0.77 0.09 0.00 0.00 178.44 179.44 1iwp h SER 39 N 0.89 0.00 0.00 -0.43 4.64 -1.23 -3.47 113.55 113.95 1iwp h SER 39 Ca 0.22 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1iwp h SER 39 Cb 0.10 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1iwp h SER 39 CO -0.03 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1iwp n GLY 40 N 0.02 0.74 0.23 -0.77 0.00 -0.75 -4.96 105.19 99.70 1iwp n GLY 40 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 1iwp n GLY 40 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iwp h GLU 41 N 4.10 0.53 -5.04 1.61 4.81 -0.92 -3.40 114.58 116.27 1iwp h GLU 41 Ca 0.00 -0.23 -0.65 0.00 -0.13 0.00 0.00 59.36 58.35 1iwp h GLU 41 Cb 0.00 -0.02 -0.25 0.00 0.63 0.00 0.00 28.75 29.11 1iwp h GLU 41 CO 0.00 0.78 -0.69 0.08 -0.73 0.00 0.00 179.01 178.45 1iwp s VAL 42 N -4.41 3.67 0.49 0.32 1.01 0.71 -5.01 120.40 117.19 1iwp s VAL 42 Ca -0.07 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1iwp s VAL 42 Cb 0.13 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1iwp s VAL 42 CO 0.81 0.42 0.20 -0.83 0.00 0.00 0.00 175.10 175.69 1iwp s GLY 43 N 1.29 2.56 0.40 4.51 0.00 -1.26 -4.43 107.32 110.40 1iwp s GLY 43 Ca 0.04 -1.29 0.18 0.00 0.00 0.00 0.00 44.72 43.64 1iwp s GLY 43 CO -0.00 -2.02 1.79 -0.56 0.00 0.00 0.00 173.10 172.31 1iwp h PRO 44 N 1.17 0.41 0.00 2.90 0.13 -1.99 0.76 132.00 135.38 1iwp h PRO 44 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1iwp h PRO 44 Cb 1.29 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iwp h PRO 44 CO 0.67 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 1iwp n GLN 45 N -4.61 0.07 -0.03 0.86 0.00 -1.26 -2.32 117.38 110.09 1iwp n GLN 45 Ca 0.24 0.37 -0.09 0.00 0.00 0.00 0.00 57.00 57.52 1iwp n GLN 45 Cb 0.83 -1.65 -0.14 0.00 0.00 0.00 0.00 30.24 29.27 1iwp n GLN 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1iwp n ASP 46 N -1.79 0.84 -3.38 2.61 8.00 0.25 -4.37 116.55 118.72 1iwp n ASP 46 Ca 0.02 0.37 -0.39 0.00 0.71 0.00 0.00 54.79 55.49 1iwp n ASP 46 Cb 0.15 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1iwp n ASP 46 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iwp n VAL 47 N -3.03 4.48 -4.31 2.53 0.31 -0.98 -4.61 118.33 112.71 1iwp n VAL 47 Ca -0.19 -3.00 -0.16 0.00 -0.01 0.00 0.00 64.34 60.98 1iwp n VAL 47 Cb 1.06 -2.50 -0.10 0.00 -0.91 0.00 0.00 33.84 31.39 1iwp n VAL 47 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1iwp s ARG 48 N 1.50 1.34 0.20 5.55 3.00 -1.26 -5.05 118.95 124.22 1iwp s ARG 48 Ca 0.65 -1.70 -0.05 0.00 0.00 0.00 0.00 55.73 54.63 1iwp s ARG 48 Cb 0.18 -0.40 -0.06 0.00 0.00 0.00 0.00 34.95 34.67 1iwp s ARG 48 CO -0.07 -0.20 0.45 -1.50 0.00 0.00 0.00 175.30 173.99 1iwp s ILE 49 N -3.61 5.09 0.33 1.52 2.07 -1.26 -4.17 121.20 121.17 1iwp s ILE 49 Ca 0.32 0.07 0.07 0.00 -1.41 0.00 0.00 60.65 59.70 1iwp s ILE 49 Cb 0.07 -3.66 -0.02 0.00 0.13 0.00 0.00 42.46 38.98 1iwp s ILE 49 CO 0.10 -0.09 0.36 -0.94 -1.91 0.00 0.00 174.94 172.46 1iwp s SER 50 N -2.67 5.58 0.15 4.50 1.04 -1.25 -4.35 113.70 116.69 1iwp s SER 50 Ca 0.43 -0.36 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 1iwp s SER 50 Cb -0.11 -1.11 0.05 0.00 0.10 0.00 0.00 66.02 64.94 1iwp s SER 50 CO 0.26 -0.36 1.76 0.08 0.98 0.00 0.00 173.24 175.95 1iwp h ARG 51 N 1.12 0.30 -0.16 4.02 0.11 -1.91 -2.33 114.38 115.53 1iwp h ARG 51 Ca -0.45 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 59.66 1iwp h ARG 51 Cb 1.25 -0.07 -0.06 0.00 1.11 0.00 0.00 29.97 32.21 1iwp h ARG 51 CO 0.56 0.20 -0.26 0.37 0.10 0.00 0.00 179.97 180.94 1iwp h GLN 52 N 0.30 -0.30 -0.46 0.08 5.75 -1.95 -0.40 115.11 118.13 1iwp h GLN 52 Ca 0.15 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.76 1iwp h GLN 52 Cb 0.10 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.65 1iwp h GLN 52 CO -0.14 -0.20 0.03 1.15 -2.65 0.00 0.00 178.83 177.02 1iwp h THR 53 N -0.31 0.67 -0.29 2.39 2.02 -1.80 0.43 112.91 116.01 1iwp h THR 53 Ca 0.11 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1iwp h THR 53 Cb 0.47 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1iwp h THR 53 CO -0.33 0.03 0.05 -0.07 0.37 0.00 0.00 175.52 175.56 1iwp h LEU 54 N 0.14 0.39 -0.46 2.58 3.38 -0.91 0.65 115.31 121.08 1iwp h LEU 54 Ca 0.23 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1iwp h LEU 54 Cb 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1iwp h LEU 54 CO -0.36 0.42 0.18 -0.08 0.09 0.00 0.00 178.44 178.69 1iwp h GLU 55 N 0.42 0.70 -0.31 1.13 4.57 0.72 0.18 114.58 121.99 1iwp h GLU 55 Ca 0.10 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1iwp h GLU 55 Cb 0.21 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1iwp h GLU 55 CO 0.00 0.63 -0.02 1.88 -1.18 0.00 0.00 179.01 180.32 1iwp h TYR 56 N 0.61 0.61 -0.44 0.92 0.99 -0.22 0.15 116.97 119.59 1iwp h TYR 56 Ca 0.15 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1iwp h TYR 56 Cb 0.20 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 37.75 1iwp h TYR 56 CO 0.00 0.71 0.23 1.96 -0.00 0.00 0.00 178.16 181.06 1iwp h GLN 57 N 0.35 0.61 -0.30 4.88 1.08 -0.71 0.12 115.11 121.12 1iwp h GLN 57 Ca 0.08 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1iwp h GLN 57 Cb 0.48 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1iwp h GLN 57 CO 0.02 0.46 0.04 0.00 -0.95 0.00 0.00 178.83 178.40 1iwp h ALA 58 N 1.64 0.40 -0.63 3.87 0.00 -0.19 0.71 119.26 125.07 1iwp h ALA 58 Ca 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1iwp h ALA 58 Cb 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1iwp h ALA 58 CO -0.02 0.11 0.40 1.96 0.00 0.00 0.00 179.25 181.70 1iwp h GLN 59 N 0.33 0.78 -0.39 0.00 4.20 0.14 0.94 115.11 121.11 1iwp h GLN 59 Ca 0.09 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1iwp h GLN 59 Cb 0.37 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1iwp h GLN 59 CO 0.01 0.52 0.18 0.82 -0.67 0.00 0.00 178.83 179.69 1iwp h ILE 60 N 0.81 1.17 0.50 2.54 2.04 -0.52 -2.37 117.51 121.69 1iwp h ILE 60 Ca 0.24 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1iwp h ILE 60 Cb -0.03 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1iwp h ILE 60 CO -0.08 0.19 -0.31 0.00 0.00 0.00 0.00 178.15 177.95 1iwp h ALA 61 N 1.03 -0.77 -0.28 1.87 0.00 -0.09 -2.86 119.26 118.15 1iwp h ALA 61 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1iwp h ALA 61 Cb 0.13 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1iwp h ALA 61 CO -0.02 -0.95 0.19 1.05 0.00 0.00 0.00 179.25 179.53 1iwp h GLU 62 N -0.77 0.25 0.00 0.00 4.11 -0.83 0.35 114.58 117.69 1iwp h GLU 62 Ca -0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1iwp h GLU 62 Cb 0.62 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1iwp h GLU 62 CO 0.06 0.16 0.00 1.04 0.07 0.00 0.00 179.01 180.35 1iwp n GLN 63 N -4.49 0.81 -0.11 1.06 6.02 -0.89 -0.65 117.38 119.13 1iwp n GLN 63 Ca 0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.05 1iwp n GLN 63 Cb 0.17 -1.36 0.10 0.00 1.02 0.00 0.00 30.24 30.17 1iwp n GLN 63 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1iwp n MET 64 N -0.86 2.62 -1.06 -1.09 1.56 0.11 -4.94 117.12 113.47 1iwp n MET 64 Ca 0.14 -1.79 -0.02 0.00 -0.27 0.00 0.00 57.70 55.76 1iwp n MET 64 Cb 0.06 -1.18 -0.01 0.00 2.15 0.00 0.00 33.22 34.24 1iwp n MET 64 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1iwp n GLN 65 N 0.23 -0.58 -2.89 2.12 1.13 0.18 -4.93 117.38 112.64 1iwp n GLN 65 Ca 0.08 0.33 -0.43 0.00 -1.94 0.00 0.00 57.00 55.04 1iwp n GLN 65 Cb 0.36 -3.89 0.01 0.00 0.11 0.00 0.00 30.24 26.83 1iwp n GLN 65 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1iwp n ARG 66 N -2.05 4.61 -0.17 -1.09 1.74 -0.66 -4.78 116.66 114.26 1iwp n ARG 66 Ca -0.02 -4.51 -0.08 0.00 -0.77 0.00 0.00 57.85 52.47 1iwp n ARG 66 Cb 0.18 -2.53 0.05 0.00 -1.02 0.00 0.00 32.46 29.14 1iwp n ARG 66 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1iwp h HIS 67 N 5.23 1.08 -0.88 -1.55 3.86 -1.83 -1.46 115.15 119.60 1iwp h HIS 67 Ca 0.27 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1iwp h HIS 67 Cb 0.56 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 1iwp h HIS 67 CO 1.09 0.99 0.54 0.00 0.86 0.00 0.00 177.93 181.41 1iwp h ALA 68 N 1.03 1.12 -0.43 2.45 0.00 -1.97 0.19 119.26 121.64 1iwp h ALA 68 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1iwp h ALA 68 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1iwp h ALA 68 CO 0.04 0.56 0.01 0.28 0.00 0.00 0.00 179.25 180.14 1iwp h VAL 69 N 1.20 1.26 -0.65 0.00 2.07 -1.90 -0.69 116.25 117.54 1iwp h VAL 69 Ca 0.32 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1iwp h VAL 69 Cb -0.07 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1iwp h VAL 69 CO -0.06 0.35 0.42 0.00 0.02 0.00 0.00 177.57 178.29 1iwp h ALA 70 N 0.91 0.83 -0.57 1.67 0.00 -0.44 0.28 119.26 121.95 1iwp h ALA 70 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1iwp h ALA 70 Cb 0.47 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1iwp h ALA 70 CO 0.02 0.21 0.12 -0.09 0.00 0.00 0.00 179.25 179.51 1iwp h ARG 71 N 0.84 0.88 -0.03 0.00 2.43 -0.43 -0.67 114.38 117.40 1iwp h ARG 71 Ca 0.25 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1iwp h ARG 71 Cb -0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1iwp h ARG 71 CO -0.07 0.81 0.02 -0.97 -1.51 0.00 0.00 179.97 178.24 1iwp h ASN 72 N 0.85 0.04 -0.50 -3.80 -1.24 -0.12 -0.84 115.58 109.96 1iwp h ASN 72 Ca 0.18 -0.09 0.03 0.00 0.71 0.00 0.00 56.30 57.13 1iwp h ASN 72 Cb 0.33 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 1iwp h ASN 72 CO 0.00 0.12 0.28 -0.26 -1.29 0.00 0.00 177.43 176.28 1iwp h PHE 73 N -0.04 0.52 -0.66 0.67 0.04 -0.58 0.13 116.94 117.02 1iwp h PHE 73 Ca 0.01 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1iwp h PHE 73 Cb 0.09 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 1iwp h PHE 73 CO -0.05 0.28 0.14 0.00 -0.60 0.00 0.00 178.31 178.09 1iwp h ARG 74 N 0.56 1.06 -0.53 1.51 3.08 -0.99 -0.52 114.38 118.55 1iwp h ARG 74 Ca 0.21 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1iwp h ARG 74 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1iwp h ARG 74 CO -0.12 0.95 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.50 1iwp h ARG 75 N 1.00 1.03 -0.02 0.04 2.43 -0.75 -2.78 114.38 115.33 1iwp h ARG 75 Ca 0.21 -0.40 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 1iwp h ARG 75 Cb 0.38 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1iwp h ARG 75 CO 0.00 1.09 -0.34 0.00 -1.51 0.00 0.00 179.97 179.22 1iwp h ALA 76 N 0.92 1.41 -0.44 2.80 0.00 -0.62 -2.54 119.26 120.78 1iwp h ALA 76 Ca 0.13 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1iwp h ALA 76 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1iwp h ALA 76 CO 0.05 0.44 0.30 0.00 0.00 0.00 0.00 179.25 180.05 1iwp h ALA 77 N 1.63 2.08 0.00 0.00 0.00 -0.81 0.27 119.26 122.44 1iwp h ALA 77 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iwp h ALA 77 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1iwp h ALA 77 CO 0.04 -0.18 -0.03 0.93 0.00 0.00 0.00 179.25 180.01 1iwp h GLU 78 N 0.26 0.00 0.00 0.00 5.08 -1.49 -3.14 114.58 115.28 1iwp h GLU 78 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1iwp h GLU 78 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1iwp h GLU 78 CO -0.04 0.03 -0.50 1.28 -1.00 0.00 0.00 179.01 178.78 1iwp n LEU 79 N -3.14 0.50 -0.10 1.33 4.77 0.08 -4.48 117.00 115.96 1iwp n LEU 79 Ca 0.01 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 1iwp n LEU 79 Cb 0.33 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1iwp n LEU 79 CO 0.28 0.11 0.70 0.40 -1.33 0.00 0.00 177.39 177.56 1iwp h ILE 80 N 0.00 0.38 0.00 -0.08 2.04 -1.53 -2.27 117.51 116.05 1iwp h ILE 80 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1iwp h ILE 80 Cb 0.52 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1iwp h ILE 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1iwp h ALA 81 N 1.01 1.00 -2.58 1.87 0.00 -1.84 -3.44 119.26 115.28 1iwp h ALA 81 Ca 0.18 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.56 1iwp h ALA 81 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1iwp h ALA 81 CO -0.47 0.00 0.55 0.42 0.00 0.00 0.00 179.25 179.75 1iwp s ILE 82 N -3.38 3.80 0.47 0.00 1.01 -0.85 -4.97 121.20 117.28 1iwp s ILE 82 Ca 0.04 1.41 -0.23 0.00 0.00 0.00 0.00 60.65 61.87 1iwp s ILE 82 Cb 0.09 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 1iwp s ILE 82 CO 0.48 0.17 1.08 -2.65 0.00 0.00 0.00 174.94 174.03 1iwp n PRO 83 N 3.16 1.41 -0.35 2.79 -0.02 -1.26 -4.73 135.00 135.99 1iwp n PRO 83 Ca 0.06 0.51 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1iwp n PRO 83 Cb 0.45 -2.19 0.26 0.00 -0.02 0.00 0.00 33.50 32.01 1iwp n PRO 83 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1iwp h ASP 84 N 1.41 0.83 -0.68 2.55 3.45 -1.93 0.45 116.42 122.50 1iwp h ASP 84 Ca -0.47 0.07 -0.07 0.00 0.43 0.00 0.00 57.03 57.00 1iwp h ASP 84 Cb 1.33 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.98 1iwp h ASP 84 CO 0.56 0.39 0.17 -0.33 -1.57 0.00 0.00 179.24 178.46 1iwp h GLU 85 N 0.87 1.10 -0.25 3.56 3.07 -1.99 -0.92 114.58 120.02 1iwp h GLU 85 Ca 0.52 -0.26 -0.16 0.00 -0.50 0.00 0.00 59.36 58.96 1iwp h GLU 85 Cb 0.64 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1iwp h GLU 85 CO -0.31 0.96 -0.51 -0.09 -1.40 0.00 0.00 179.01 177.66 1iwp h ARG 86 N 1.04 0.70 -0.48 2.33 9.65 -1.48 -0.46 114.38 125.68 1iwp h ARG 86 Ca 0.22 -0.42 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1iwp h ARG 86 Cb 0.36 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1iwp h ARG 86 CO 0.00 1.04 0.29 0.82 2.80 0.00 0.00 179.97 184.92 1iwp h ILE 87 N 0.54 1.16 -0.79 1.20 1.08 -0.66 0.16 117.51 120.19 1iwp h ILE 87 Ca 0.02 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1iwp h ILE 87 Cb 1.08 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 1iwp h ILE 87 CO 0.11 0.16 0.35 -0.07 -0.69 0.00 0.00 178.15 178.00 1iwp h LEU 88 N 0.65 1.06 -0.49 1.44 3.38 -0.97 -0.83 115.31 119.55 1iwp h LEU 88 Ca 0.17 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1iwp h LEU 88 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1iwp h LEU 88 CO -0.03 0.92 -0.23 0.00 0.09 0.00 0.00 178.44 179.19 1iwp h ALA 89 N 1.18 0.69 -0.39 1.53 0.00 -0.52 -0.75 119.26 120.99 1iwp h ALA 89 Ca 0.27 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1iwp h ALA 89 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1iwp h ALA 89 CO -0.03 0.68 -0.09 0.82 0.00 0.00 0.00 179.25 180.63 1iwp h ILE 90 N 0.85 1.27 0.08 0.00 2.04 -0.51 0.65 117.51 121.89 1iwp h ILE 90 Ca 0.11 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1iwp h ILE 90 Cb 0.81 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1iwp h ILE 90 CO 0.07 0.39 -0.16 0.22 0.00 0.00 0.00 178.15 178.67 1iwp h TYR 91 N 0.56 -0.40 -0.57 1.37 3.20 -1.02 -1.36 116.97 118.74 1iwp h TYR 91 Ca 0.10 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1iwp h TYR 91 Cb 0.60 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1iwp h TYR 91 CO 0.05 -0.23 0.38 -0.91 -1.64 0.00 0.00 178.16 175.80 1iwp h ASN 92 N -0.30 0.64 0.54 -2.11 2.35 -0.99 -0.10 115.58 115.61 1iwp h ASN 92 Ca 0.03 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1iwp h ASN 92 Cb 0.32 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1iwp h ASN 92 CO -0.09 0.46 -0.10 0.00 -1.65 0.00 0.00 177.43 176.04 1iwp h ALA 93 N 1.65 1.15 0.00 -0.83 0.00 -0.20 -1.71 119.26 119.31 1iwp h ALA 93 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1iwp h ALA 93 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1iwp h ALA 93 CO -0.05 0.13 -0.26 -0.07 0.00 0.00 0.00 179.25 179.00 1iwp h LEU 94 N 0.00 0.00-10.08 0.00 4.07 0.07 -3.30 115.31 106.07 1iwp h LEU 94 Ca -0.00 -0.03 -0.50 0.00 0.08 0.00 0.00 57.88 57.42 1iwp h LEU 94 Cb 0.40 0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.22 1iwp h LEU 94 CO 0.01 0.02 0.44 -0.13 -1.08 0.00 0.00 178.44 177.70 1iwp s ARG 95 N -3.20 3.35 0.09 1.13 0.52 -0.65 -4.89 118.95 115.31 1iwp s ARG 95 Ca 0.07 1.65 -0.35 0.00 -0.52 0.00 0.00 55.73 56.57 1iwp s ARG 95 Cb 0.09 -2.03 -0.18 0.00 0.52 0.00 0.00 34.95 33.35 1iwp s ARG 95 CO 0.68 -0.86 0.97 -0.35 0.02 0.00 0.00 175.30 175.76 1iwp n PRO 96 N -1.27 0.34 -1.20 3.54 -0.04 -1.26 -2.41 135.00 132.71 1iwp n PRO 96 Ca 0.11 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1iwp n PRO 96 Cb 0.51 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1iwp n PRO 96 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1iwp n PHE 97 N 1.20 0.00 0.03 0.54 3.72 0.33 -4.85 117.46 118.43 1iwp n PHE 97 Ca 0.18 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.39 1iwp n PHE 97 Cb 0.17 -2.37 -0.14 0.00 -0.94 0.00 0.00 39.48 36.19 1iwp n PHE 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iwp h ARG 98 N 0.04 0.26 -6.22 -1.08 -0.00 -1.67 -3.31 114.38 102.40 1iwp h ARG 98 Ca -0.14 -0.45 -0.56 0.00 -0.50 0.00 0.00 59.98 58.33 1iwp h ARG 98 Cb 1.06 0.17 -0.09 0.00 0.00 0.00 0.00 29.97 31.11 1iwp h ARG 98 CO 0.20 1.22 -0.63 -1.12 0.00 0.00 0.00 179.97 179.64 1iwp s SER 99 N -6.90 4.73 0.50 7.04 0.01 -1.24 -4.68 113.70 113.14 1iwp s SER 99 Ca -0.15 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.58 1iwp s SER 99 Cb 0.01 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.30 1iwp s SER 99 CO 0.81 0.01 0.72 -0.94 0.41 0.00 0.00 173.24 174.24 1iwp s SER 100 N -3.60 5.55 0.16 2.44 1.04 -1.26 0.11 113.70 118.14 1iwp s SER 100 Ca 0.31 0.10 -0.16 0.00 0.48 0.00 0.00 55.95 56.68 1iwp s SER 100 Cb -0.07 -1.17 0.02 0.00 0.10 0.00 0.00 66.02 64.90 1iwp s SER 100 CO 0.20 -0.92 1.82 -0.61 0.98 0.00 0.00 173.24 174.71 1iwp h GLN 101 N 0.25 0.54 -0.67 4.02 4.15 -1.93 -2.14 115.11 119.34 1iwp h GLN 101 Ca -0.44 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.00 1iwp h GLN 101 Cb 1.28 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1iwp h GLN 101 CO 0.54 0.36 0.38 0.00 -1.93 0.00 0.00 178.83 178.18 1iwp h ALA 102 N 1.16 0.89 -0.55 3.38 0.00 -1.99 -1.15 119.26 121.00 1iwp h ALA 102 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1iwp h ALA 102 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1iwp h ALA 102 CO -0.04 0.06 0.37 0.93 0.00 0.00 0.00 179.25 180.57 1iwp h GLU 103 N 0.70 0.73 -0.70 0.00 5.08 -1.85 0.18 114.58 118.72 1iwp h GLU 103 Ca 0.30 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1iwp h GLU 103 Cb 0.17 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1iwp h GLU 103 CO -0.17 0.49 0.29 -0.07 -1.00 0.00 0.00 179.01 178.54 1iwp h LEU 104 N 0.75 0.95 -0.49 1.33 3.38 -0.74 -0.72 115.31 119.77 1iwp h LEU 104 Ca 0.20 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1iwp h LEU 104 Cb -0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1iwp h LEU 104 CO -0.04 0.84 -0.29 -0.07 0.09 0.00 0.00 178.44 178.97 1iwp h LEU 105 N 1.02 0.97 -0.79 1.67 4.07 -0.71 -1.10 115.31 120.44 1iwp h LEU 105 Ca 0.24 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1iwp h LEU 105 Cb 0.18 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 1iwp h LEU 105 CO -0.02 1.19 0.47 0.00 -1.08 0.00 0.00 178.44 178.99 1iwp h ALA 106 N 0.87 1.01 -0.73 1.53 0.00 -0.17 0.87 119.26 122.64 1iwp h ALA 106 Ca 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1iwp h ALA 106 Cb 0.86 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1iwp h ALA 106 CO 0.08 0.48 0.33 0.82 0.00 0.00 0.00 179.25 180.96 1iwp h ILE 107 N 1.08 1.24 -0.90 0.00 2.04 -0.85 -1.15 117.51 118.98 1iwp h ILE 107 Ca 0.28 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1iwp h ILE 107 Cb -0.03 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1iwp h ILE 107 CO -0.05 0.29 0.56 0.00 0.00 0.00 0.00 178.15 178.95 1iwp h ALA 108 N 1.16 1.14 -0.45 1.87 0.00 -0.23 0.12 119.26 122.87 1iwp h ALA 108 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iwp h ALA 108 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1iwp h ALA 108 CO -0.03 0.59 0.30 -0.44 0.00 0.00 0.00 179.25 179.67 1iwp h ASP 109 N 1.23 0.52 -0.29 0.00 3.32 -0.03 -0.20 116.42 120.97 1iwp h ASP 109 Ca 0.32 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1iwp h ASP 109 Cb -0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1iwp h ASP 109 CO -0.06 0.38 0.15 -0.08 -1.72 0.00 0.00 179.24 177.90 1iwp h GLU 110 N 0.61 0.41 -0.13 3.56 4.81 -0.67 -0.06 114.58 123.12 1iwp h GLU 110 Ca 0.17 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1iwp h GLU 110 Cb -0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1iwp h GLU 110 CO -0.04 0.38 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.54 1iwp h LEU 111 N 0.34 -0.07 0.24 1.64 3.38 -0.69 0.14 115.31 120.28 1iwp h LEU 111 Ca 0.10 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1iwp h LEU 111 Cb 0.09 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1iwp h LEU 111 CO -0.01 -0.02 -0.11 -0.08 0.09 0.00 0.00 178.44 178.30 1iwp h GLU 112 N 0.03 -0.31 0.00 1.13 4.81 -0.91 0.98 114.58 120.30 1iwp h GLU 112 Ca 0.06 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 1iwp h GLU 112 Cb 0.08 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1iwp h GLU 112 CO -0.11 0.04 -1.45 0.45 -0.73 0.00 0.00 179.01 177.21 1iwp h HIS 113 N -0.72 0.00 0.05 0.92 3.86 -1.05 -2.40 115.15 115.81 1iwp h HIS 113 Ca -0.03 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.83 1iwp h HIS 113 Cb 0.49 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1iwp h HIS 113 CO 0.04 0.66 -1.95 2.41 0.86 0.00 0.00 177.93 179.95 1iwp n THR 114 N -2.93 1.63 1.01 2.45 -1.04 0.36 -4.45 114.28 111.31 1iwp n THR 114 Ca -0.11 -0.43 0.11 0.00 -2.04 0.00 0.00 64.05 61.58 1iwp n THR 114 Cb 0.88 -1.79 -0.04 0.00 -1.82 0.00 0.00 70.33 67.56 1iwp n THR 114 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1iwp n TRP 115 N -3.82 0.00 -1.81 -1.42 7.02 -0.51 -4.96 117.44 111.95 1iwp n TRP 115 Ca -0.38 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 55.89 1iwp n TRP 115 Cb 0.91 -0.03 -0.07 0.00 -2.42 0.00 0.00 31.31 29.71 1iwp n TRP 115 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1iwp n HIS 116 N -1.11 -0.26 -2.31 -5.99 8.25 0.09 -4.87 115.22 109.02 1iwp n HIS 116 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 1iwp n HIS 116 Cb 0.37 -3.62 0.00 0.00 1.12 0.00 0.00 29.99 27.85 1iwp n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iwp n ALA 117 N 0.52 5.09 -0.27 -1.41 0.00 0.32 -4.80 120.51 119.95 1iwp n ALA 117 Ca -0.22 -4.19 0.01 0.00 0.00 0.00 0.00 53.44 49.03 1iwp n ALA 117 Cb 0.69 -3.14 0.13 0.00 0.00 0.00 0.00 19.45 17.13 1iwp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwp h THR 118 N 4.02 0.97 -0.30 0.00 1.03 -1.82 -0.03 112.91 116.78 1iwp h THR 118 Ca 0.42 -0.27 -0.08 0.00 -0.01 0.00 0.00 66.41 66.47 1iwp h THR 118 Cb 0.68 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 1iwp h THR 118 CO 1.62 0.15 -0.13 0.58 -0.01 0.00 0.00 175.52 177.72 1iwp h VAL 119 N 0.80 1.29 -0.06 0.00 2.07 -1.95 -2.07 116.25 116.34 1iwp h VAL 119 Ca 0.35 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 1iwp h VAL 119 Cb 0.24 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1iwp h VAL 119 CO -0.20 0.39 -0.28 0.78 0.02 0.00 0.00 177.57 178.28 1iwp h ASN 120 N 0.38 0.10 -0.18 0.57 2.35 -1.80 0.22 115.58 117.22 1iwp h ASN 120 Ca 0.07 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1iwp h ASN 120 Cb 0.65 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1iwp h ASN 120 CO 0.04 0.38 0.01 0.00 -1.65 0.00 0.00 177.43 176.21 1iwp h ALA 121 N 1.63 0.24 -0.75 -0.83 0.00 -0.83 0.12 119.26 118.84 1iwp h ALA 121 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1iwp h ALA 121 Cb 0.54 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1iwp h ALA 121 CO 0.04 -0.06 0.40 0.00 0.00 0.00 0.00 179.25 179.63 1iwp h ALA 122 N 0.79 0.96 -0.06 0.00 0.00 -0.88 0.16 119.26 120.23 1iwp h ALA 122 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1iwp h ALA 122 Cb 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1iwp h ALA 122 CO 0.01 0.48 -0.10 0.35 0.00 0.00 0.00 179.25 179.99 1iwp h PHE 123 N 1.04 -0.26 -0.40 0.00 3.57 -0.25 0.21 116.94 120.85 1iwp h PHE 123 Ca 0.26 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 1iwp h PHE 123 Cb 0.05 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1iwp h PHE 123 CO 0.00 -0.16 -0.19 0.28 -2.23 0.00 0.00 178.31 176.01 1iwp h VAL 124 N -0.15 1.27 -0.66 1.41 2.07 -0.47 -0.33 116.25 119.40 1iwp h VAL 124 Ca 0.06 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.31 1iwp h VAL 124 Cb 0.23 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1iwp h VAL 124 CO -0.15 0.43 0.43 -0.09 0.02 0.00 0.00 177.57 178.21 1iwp h ARG 125 N 0.68 0.85 -0.66 1.57 9.65 -0.23 0.33 114.38 126.56 1iwp h ARG 125 Ca 0.10 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1iwp h ARG 125 Cb 0.69 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 1iwp h ARG 125 CO 0.05 0.56 0.39 1.49 2.80 0.00 0.00 179.97 185.26 1iwp h GLU 126 N 0.87 0.90 -0.66 0.20 4.81 -0.01 -2.06 114.58 118.64 1iwp h GLU 126 Ca 0.25 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1iwp h GLU 126 Cb -0.07 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 1iwp h GLU 126 CO -0.07 0.65 0.34 0.66 -0.73 0.00 0.00 179.01 179.86 1iwp h SER 127 N 0.90 0.83 -0.22 1.04 4.64 -0.04 -0.80 113.55 119.91 1iwp h SER 127 Ca 0.24 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1iwp h SER 127 Cb -0.01 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1iwp h SER 127 CO -0.04 0.69 0.10 0.00 -0.87 0.00 0.00 176.83 176.71 1iwp h ALA 128 N 1.44 0.26 0.16 5.18 0.00 -0.27 0.36 119.26 126.40 1iwp h ALA 128 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1iwp h ALA 128 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iwp h ALA 128 CO -0.03 -0.31 -0.08 1.49 0.00 0.00 0.00 179.25 180.31 1iwp h GLU 129 N 0.22 -0.21 -0.45 0.00 4.81 -1.10 -1.22 114.58 116.62 1iwp h GLU 129 Ca 0.09 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1iwp h GLU 129 Cb 0.04 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1iwp h GLU 129 CO -0.07 -0.08 0.16 0.28 -0.73 0.00 0.00 179.01 178.57 1iwp h VAL 130 N -0.30 0.85 -0.69 0.32 2.07 -0.88 0.21 116.25 117.82 1iwp h VAL 130 Ca -0.02 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1iwp h VAL 130 Cb 0.23 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1iwp h VAL 130 CO 0.04 0.06 0.33 1.88 0.02 0.00 0.00 177.57 179.89 1iwp h TYR 131 N 0.33 0.98 -0.21 1.57 -1.99 -0.15 0.27 116.97 117.78 1iwp h TYR 131 Ca 0.21 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.85 1iwp h TYR 131 Cb 0.21 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 1iwp h TYR 131 CO -0.16 0.72 -0.07 0.37 -0.00 0.00 0.00 178.16 179.02 1iwp h GLN 132 N 0.98 0.41 -0.23 4.88 -0.00 -0.48 0.66 115.11 121.33 1iwp h GLN 132 Ca 0.24 -0.17 -0.14 0.00 -0.00 0.00 0.00 58.65 58.58 1iwp h GLN 132 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1iwp h GLN 132 CO -0.03 0.68 -0.46 1.96 0.00 0.00 0.00 178.83 180.98 1iwp h GLN 133 N 0.13 0.57 -0.49 1.69 4.20 -0.68 -3.09 115.11 117.43 1iwp h GLN 133 Ca 0.05 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1iwp h GLN 133 Cb 0.54 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1iwp h GLN 133 CO 0.02 0.91 0.00 0.54 -0.67 0.00 0.00 178.83 179.64 1iwp n ARG 134 N -4.00 2.40 -3.42 1.46 5.12 0.93 -4.98 116.66 114.16 1iwp n ARG 134 Ca -0.02 -2.15 -0.19 0.00 -1.93 0.00 0.00 57.85 53.56 1iwp n ARG 134 Cb 0.55 -1.49 0.06 0.00 -1.16 0.00 0.00 32.46 30.42 1iwp n ARG 134 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1iwp n HIS 135 N 1.29 -2.24 0.08 -1.55 8.25 0.12 -4.94 115.22 116.23 1iwp n HIS 135 Ca 0.20 0.81 0.02 0.00 -0.26 0.00 0.00 57.72 58.48 1iwp n HIS 135 Cb 0.54 -4.26 0.03 0.00 1.12 0.00 0.00 29.99 27.42 1iwp n HIS 135 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iwp n LYS 136 N -3.73 0.65 -2.09 -0.41 4.76 0.19 -4.94 118.16 112.60 1iwp n LYS 136 Ca -0.15 -1.04 -0.32 0.00 -2.87 0.00 0.00 58.31 53.93 1iwp n LYS 136 Cb 0.63 -1.08 -0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1iwp n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1iwp s LEU 137 N -0.53 3.46 0.14 -0.35 1.43 -1.23 0.12 118.68 121.72 1iwp s LEU 137 Ca 0.05 1.65 -0.35 0.00 -1.03 0.00 0.00 54.13 54.46 1iwp s LEU 137 Cb 0.03 -4.51 -0.16 0.00 0.03 0.00 0.00 46.19 41.59 1iwp s LEU 137 CO 0.05 -0.96 1.34 -1.14 0.23 0.00 0.00 176.35 175.87 1iwp n ARG 138 N -2.11 1.43 -1.62 1.70 0.63 0.30 -4.45 116.66 112.56 1iwp n ARG 138 Ca 0.07 0.51 -0.47 0.00 -0.92 0.00 0.00 57.85 57.05 1iwp n ARG 138 Cb 0.53 -2.14 -0.05 0.00 0.45 0.00 0.00 32.46 31.26 1iwp n ARG 138 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1iwp n LYS 139 N 2.43 2.01 0.00 -0.14 4.76 -1.26 -4.19 118.16 121.77 1iwp n LYS 139 Ca 0.16 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.28 1iwp n LYS 139 Cb 0.24 -2.81 0.00 0.00 -1.84 0.00 0.00 35.03 30.62 1iwp n LYS 139 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iwp n GLY 140 N 5.17 0.84 0.00 0.72 0.00 -1.26 -5.17 105.19 105.49 1iwp n GLY 140 Ca 0.28 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1iwp n GLY 140 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06