#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 2.10 0.26 3.15 -4.23 -1.26 -5.04 115.64 110.62 1iwp s THR 5 Ca 0.00 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1iwp s THR 5 Cb 0.00 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1iwp s THR 5 CO 0.00 0.46 0.44 -0.04 -0.54 0.00 0.00 174.62 174.94 1iwp s MET 6 N -0.96 3.49 0.13 3.99 -1.94 -1.26 -5.12 119.30 117.63 1iwp s MET 6 Ca 0.11 -0.44 0.08 0.00 -1.71 0.00 0.00 55.69 53.73 1iwp s MET 6 Cb -0.10 -2.79 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 1iwp s MET 6 CO 0.01 0.32 -0.19 0.50 -0.01 0.00 0.00 175.02 175.65 1iwp s ARG 7 N -3.84 1.16 0.37 2.03 6.06 -1.26 -4.74 118.95 118.73 1iwp s ARG 7 Ca 0.38 -1.26 0.17 0.00 -2.50 0.00 0.00 55.73 52.51 1iwp s ARG 7 Cb -0.10 -1.29 1.07 0.00 0.06 0.00 0.00 34.95 34.70 1iwp s ARG 7 CO 0.31 0.28 1.73 0.28 -2.50 0.00 0.00 175.30 175.40 1iwp h VAL 8 N 3.69 0.46 0.00 7.11 2.07 -1.92 1.27 116.25 128.93 1iwp h VAL 8 Ca -0.44 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1iwp h VAL 8 Cb 1.19 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1iwp h VAL 8 CO 0.45 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.12 1iwp n GLN 9 N -4.75 0.03 0.00 1.57 10.64 -1.26 -1.77 117.38 121.83 1iwp n GLN 9 Ca 0.28 0.30 0.13 0.00 -1.83 0.00 0.00 57.00 55.88 1iwp n GLN 9 Cb 0.91 -1.56 0.42 0.00 -0.86 0.00 0.00 30.24 29.15 1iwp n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1iwp n ASP 10 N -1.62 1.26 -4.86 2.61 8.00 0.44 -4.86 116.55 117.52 1iwp n ASP 10 Ca 0.03 -1.16 -0.35 0.00 0.71 0.00 0.00 54.79 54.02 1iwp n ASP 10 Cb 0.16 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.29 3.51 0.28 1.24 6.14 -0.73 -3.10 117.35 122.41 1iwp s TYR 11 Ca 0.30 0.41 -0.29 0.00 0.64 0.00 0.00 57.07 58.12 1iwp s TYR 11 Cb 0.20 -1.87 -0.09 0.00 0.42 0.00 0.00 41.96 40.62 1iwp s TYR 11 CO 0.44 0.67 1.08 -1.25 0.64 0.00 0.00 175.55 177.13 1iwp s PRO 12 N -1.42 4.64 0.23 4.97 0.04 -1.26 -4.92 135.00 137.28 1iwp s PRO 12 Ca 0.20 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 1iwp s PRO 12 Cb -0.12 -3.16 0.27 0.00 0.04 0.00 0.00 34.50 31.52 1iwp s PRO 12 CO 0.10 0.23 1.87 -0.07 0.04 0.00 0.00 177.00 179.18 1iwp h LEU 13 N 3.78 0.90 -1.93 -3.56 3.38 -1.91 0.20 115.31 116.17 1iwp h LEU 13 Ca -0.47 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.61 1iwp h LEU 13 Cb 1.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1iwp h LEU 13 CO 0.67 0.61 0.30 0.00 0.09 0.00 0.00 178.44 180.11 1iwp h ALA 14 N 1.36 2.30 0.00 1.53 0.00 -1.88 0.22 119.26 122.79 1iwp h ALA 14 Ca 0.35 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.88 1iwp h ALA 14 Cb 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1iwp h ALA 14 CO -0.12 -0.42 -2.38 -2.37 0.00 0.00 0.00 179.25 173.96 1iwp n THR 15 N -4.43 1.39 0.07 0.00 5.66 -0.89 -4.13 114.28 111.93 1iwp n THR 15 Ca 0.07 -0.59 -0.20 0.00 -3.05 0.00 0.00 64.05 60.28 1iwp n THR 15 Cb 0.45 -1.21 -0.15 0.00 -1.55 0.00 0.00 70.33 67.88 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 0.00 0.33 -1.39 1.09 2.47 -0.50 -3.41 114.38 112.97 1iwp h ARG 16 Ca -0.54 -0.57 -0.43 0.00 -1.26 0.00 0.00 59.98 57.18 1iwp h ARG 16 Cb 1.91 0.21 -0.40 0.00 -1.65 0.00 0.00 29.97 30.03 1iwp h ARG 16 CO -0.06 1.22 -1.10 0.00 0.56 0.00 0.00 179.97 180.59 1iwp h PRO 18 N 2.94 0.05 -0.77 0.00 0.11 -1.52 -0.92 132.00 131.89 1iwp h PRO 18 Ca 0.02 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.33 1iwp h PRO 18 Cb 1.05 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1iwp h PRO 18 CO 0.57 0.04 0.54 0.93 -0.21 0.00 0.00 178.00 179.87 1iwp h GLU 19 N 0.06 0.11 0.00 1.05 3.07 -1.93 0.12 114.58 117.06 1iwp h GLU 19 Ca 0.33 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1iwp h GLU 19 Cb 0.54 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1iwp h GLU 19 CO -0.62 0.07 0.00 0.72 -1.40 0.00 0.00 179.01 177.79 1iwp n HIS 20 N -4.36 0.00 -3.72 4.33 8.25 -0.35 -4.70 115.22 114.67 1iwp n HIS 20 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 1iwp n HIS 20 Cb 0.77 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.76 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 -2.00 4.15 0.11 1.59 1.01 0.42 -4.81 121.20 121.67 1iwp s ILE 21 Ca 0.35 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1iwp s ILE 21 Cb 0.16 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1iwp s ILE 21 CO 0.27 0.00 -0.21 -0.76 0.00 0.00 0.00 174.94 174.25 1iwp s LEU 22 N 1.52 2.31 0.68 2.97 1.43 -1.26 -2.55 118.68 123.77 1iwp s LEU 22 Ca 0.02 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1iwp s LEU 22 Cb -0.18 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1iwp s LEU 22 CO 0.04 0.05 1.07 0.42 0.23 0.00 0.00 176.35 178.15 1iwp s THR 23 N -1.24 3.84 -0.45 5.49 -4.23 0.35 -4.07 115.64 115.34 1iwp s THR 23 Ca 0.07 0.68 0.22 0.00 -1.18 0.00 0.00 61.69 61.48 1iwp s THR 23 Cb -0.10 -3.31 0.23 0.00 1.34 0.00 0.00 72.50 70.66 1iwp s THR 23 CO 0.04 -0.70 1.67 -0.81 -0.54 0.00 0.00 174.62 174.29 1iwp n PRO 24 N -2.86 0.17 0.00 3.99 -0.04 -1.26 -1.45 135.00 133.55 1iwp n PRO 24 Ca 0.08 0.47 0.15 0.00 -0.04 0.00 0.00 63.50 64.16 1iwp n PRO 24 Cb 0.53 -1.87 0.75 0.00 -0.04 0.00 0.00 33.50 32.87 1iwp n PRO 24 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1iwp n THR 25 N -2.20 0.00 -1.43 0.52 -2.24 -1.26 -4.91 114.28 102.76 1iwp n THR 25 Ca 0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1iwp n THR 25 Cb 0.18 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.17 0.98 3.26 3.38 0.00 -0.53 -5.09 105.19 108.36 1iwp n GLY 26 Ca 0.18 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.02 1.90 0.65 1.61 1.02 -1.25 -4.93 119.74 115.72 1iwp s LYS 27 Ca 0.00 -0.83 -0.15 0.00 0.02 0.00 0.00 55.97 55.01 1iwp s LYS 27 Cb 0.00 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1iwp s LYS 27 CO 0.00 0.49 1.09 -1.25 -0.92 0.00 0.00 175.35 174.77 1iwp s PRO 28 N -0.53 2.91 0.32 -1.68 0.04 -1.26 -0.49 135.00 134.31 1iwp s PRO 28 Ca 0.08 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.49 1iwp s PRO 28 Cb -0.09 -1.97 0.72 0.00 0.04 0.00 0.00 34.50 33.19 1iwp s PRO 28 CO -0.01 -1.15 1.85 1.25 0.04 0.00 0.00 177.00 178.98 1iwp h LEU 29 N 0.04 0.77 0.00 -3.56 6.46 -1.78 0.60 115.31 117.83 1iwp h LEU 29 Ca -0.46 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 1iwp h LEU 29 Cb 1.24 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1iwp h LEU 29 CO 0.55 0.38 0.00 0.35 -0.62 0.00 0.00 178.44 179.10 1iwp n THR 30 N -4.60 1.05 0.07 1.05 -2.24 -1.26 -1.78 114.28 106.56 1iwp n THR 30 Ca 0.19 0.26 0.01 0.00 -2.27 0.00 0.00 64.05 62.24 1iwp n THR 30 Cb 0.44 -1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.93 3.42 5.19 -1.22 -3.41 116.42 119.47 1iwp h ASP 31 Ca 0.00 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.75 1iwp h ASP 31 Cb 0.07 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.50 1iwp h ASP 31 CO 0.00 0.53 2.04 -0.63 -3.12 0.00 0.00 179.24 178.06 1iwp s ILE 32 N -2.95 4.08 0.29 0.35 1.09 -0.74 -4.70 121.20 118.63 1iwp s ILE 32 Ca -0.00 -1.66 0.08 0.00 -1.10 0.00 0.00 60.65 57.97 1iwp s ILE 32 Cb 0.08 -5.16 -0.06 0.00 -1.06 0.00 0.00 42.46 36.26 1iwp s ILE 32 CO 0.79 -2.00 -0.09 0.42 -0.10 0.00 0.00 174.94 173.95 1iwp s THR 33 N 4.37 1.92 0.20 2.92 -4.23 -1.26 -5.03 115.64 114.53 1iwp s THR 33 Ca 0.52 -2.18 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1iwp s THR 33 Cb 0.03 -2.47 0.13 0.00 1.34 0.00 0.00 72.50 71.53 1iwp s THR 33 CO 0.04 -0.30 1.84 0.25 -0.54 0.00 0.00 174.62 175.91 1iwp h LEU 34 N 2.22 0.68 -0.15 4.79 5.85 -1.99 -1.23 115.31 125.47 1iwp h LEU 34 Ca -0.40 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.36 1iwp h LEU 34 Cb 1.24 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1iwp h LEU 34 CO 0.67 0.47 -0.42 -0.33 -0.34 0.00 0.00 178.44 178.49 1iwp h GLU 35 N 0.81 -0.46 -0.15 1.25 3.07 -1.96 0.15 114.58 117.30 1iwp h GLU 35 Ca 0.27 0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1iwp h GLU 35 Cb 0.03 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1iwp h GLU 35 CO -0.11 -0.30 -0.28 0.87 -1.40 0.00 0.00 179.01 177.79 1iwp h LYS 36 N -0.47 0.28 -0.51 2.33 1.57 -1.76 0.75 116.57 118.75 1iwp h LYS 36 Ca 0.08 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1iwp h LYS 36 Cb 0.62 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1iwp h LYS 36 CO -0.41 0.54 -0.08 0.28 -0.57 0.00 0.00 179.45 179.20 1iwp h VAL 37 N 0.25 1.27 0.07 0.50 2.07 -0.76 0.18 116.25 119.83 1iwp h VAL 37 Ca 0.04 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1iwp h VAL 37 Cb 0.62 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1iwp h VAL 37 CO 0.04 0.43 -0.03 -0.07 0.02 0.00 0.00 177.57 177.96 1iwp h LEU 38 N 0.82 -0.08 -2.56 2.57 3.38 -0.60 -2.44 115.31 116.40 1iwp h LEU 38 Ca 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iwp h LEU 38 Cb 0.64 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1iwp h LEU 38 CO 0.04 0.13 -0.00 0.77 0.09 0.00 0.00 178.44 179.48 1iwp h SER 39 N -0.30 0.00 0.00 -0.43 4.64 -0.70 -3.46 113.55 113.30 1iwp h SER 39 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1iwp h SER 39 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1iwp h SER 39 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1iwp n GLY 40 N -1.28 0.81 0.13 -0.77 0.00 0.55 -4.92 105.19 99.71 1iwp n GLY 40 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1iwp n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1iwp n GLU 41 N -2.00 0.22 -4.39 1.61 0.28 -0.71 -4.43 120.64 111.23 1iwp n GLU 41 Ca 0.00 0.37 -0.33 0.00 -0.16 0.00 0.00 57.16 57.03 1iwp n GLU 41 Cb 0.00 -1.86 -0.15 0.00 1.43 0.00 0.00 31.44 30.85 1iwp n GLU 41 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1iwp s VAL 42 N -3.26 2.61 0.38 3.84 1.01 -1.06 -5.01 120.40 118.90 1iwp s VAL 42 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1iwp s VAL 42 Cb 0.10 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1iwp s VAL 42 CO 0.46 0.51 0.04 0.61 0.00 0.00 0.00 175.10 176.72 1iwp n GLY 43 N 4.25 3.59 0.22 4.51 0.00 -1.26 -4.37 105.19 112.13 1iwp n GLY 43 Ca -0.19 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.57 1iwp n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iwp h PRO 44 N 0.00 0.36 0.00 1.61 0.13 -1.98 -1.37 132.00 130.75 1iwp h PRO 44 Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1iwp h PRO 44 Cb 1.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1iwp h PRO 44 CO 0.50 0.23 0.04 0.00 -0.23 0.00 0.00 178.00 178.55 1iwp n GLN 45 N -5.02 0.11 0.00 0.86 0.00 -1.26 -1.85 117.38 110.21 1iwp n GLN 45 Ca 0.08 0.60 -0.17 0.00 0.00 0.00 0.00 57.00 57.51 1iwp n GLN 45 Cb 0.26 -1.90 -0.14 0.00 0.00 0.00 0.00 30.24 28.47 1iwp n GLN 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1iwp h ASP 46 N 0.00 0.30 0.00 2.61 3.32 -1.65 -3.40 116.42 117.59 1iwp h ASP 46 Ca 0.00 -0.66 -0.65 0.00 0.02 0.00 0.00 57.03 55.74 1iwp h ASP 46 Cb 0.07 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1iwp h ASP 46 CO 0.00 1.59 2.99 0.52 -1.72 0.00 0.00 179.24 182.62 1iwp n VAL 47 N -3.35 3.07 -4.17 -1.35 0.31 -0.77 -4.58 118.33 107.48 1iwp n VAL 47 Ca -0.27 -2.40 -0.13 0.00 -0.01 0.00 0.00 64.34 61.53 1iwp n VAL 47 Cb 1.05 -2.48 -0.08 0.00 -0.91 0.00 0.00 33.84 31.41 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 3.51 1.46 0.13 5.55 0.52 -1.26 -5.03 118.95 123.83 1iwp s ARG 48 Ca 0.53 -1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 54.04 1iwp s ARG 48 Cb 0.14 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.90 1iwp s ARG 48 CO -0.03 -0.54 0.35 -1.50 0.02 0.00 0.00 175.30 173.61 1iwp s ILE 49 N -3.85 5.21 0.34 1.52 2.07 -1.26 -4.28 121.20 120.95 1iwp s ILE 49 Ca 0.36 -0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.61 1iwp s ILE 49 Cb 0.04 -3.63 -0.01 0.00 0.13 0.00 0.00 42.46 38.99 1iwp s ILE 49 CO 0.16 0.05 0.46 -0.94 -1.91 0.00 0.00 174.94 172.75 1iwp s SER 50 N -2.47 5.87 0.21 4.50 1.04 -1.26 -4.34 113.70 117.25 1iwp s SER 50 Ca 0.40 -0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.50 1iwp s SER 50 Cb -0.12 -1.16 0.16 0.00 0.10 0.00 0.00 66.02 65.00 1iwp s SER 50 CO 0.25 -0.45 1.80 0.03 0.98 0.00 0.00 173.24 175.86 1iwp h ARG 51 N 0.91 1.15 -0.63 4.02 3.08 -1.92 -2.47 114.38 118.52 1iwp h ARG 51 Ca -0.45 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1iwp h ARG 51 Cb 1.26 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1iwp h ARG 51 CO 0.53 0.90 0.40 0.37 -1.07 0.00 0.00 179.97 181.09 1iwp h GLN 52 N 1.13 0.85 -0.19 0.04 5.75 -1.95 -0.45 115.11 120.28 1iwp h GLN 52 Ca 0.27 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1iwp h GLN 52 Cb 0.13 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1iwp h GLN 52 CO -0.03 0.59 0.09 1.15 -2.65 0.00 0.00 178.83 177.97 1iwp h THR 53 N 0.86 1.13 -0.64 2.39 2.02 -1.81 1.00 112.91 117.85 1iwp h THR 53 Ca 0.23 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1iwp h THR 53 Cb -0.06 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1iwp h THR 53 CO -0.05 0.13 0.41 -0.07 0.37 0.00 0.00 175.52 176.31 1iwp h LEU 54 N 0.18 0.74 -0.64 2.58 3.38 -1.24 0.15 115.31 120.46 1iwp h LEU 54 Ca 0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1iwp h LEU 54 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1iwp h LEU 54 CO -0.01 0.55 0.17 -0.08 0.09 0.00 0.00 178.44 179.16 1iwp h GLU 55 N 0.87 1.01 -0.64 1.13 4.57 -0.48 0.28 114.58 121.32 1iwp h GLU 55 Ca 0.23 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1iwp h GLU 55 Cb -0.08 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1iwp h GLU 55 CO -0.05 0.91 0.15 1.88 -1.18 0.00 0.00 179.01 180.71 1iwp h TYR 56 N 0.93 1.08 -0.12 0.92 0.99 0.51 -1.14 116.97 120.14 1iwp h TYR 56 Ca 0.20 -0.13 -0.13 0.00 2.00 0.00 0.00 58.73 60.67 1iwp h TYR 56 Cb 0.34 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.75 1iwp h TYR 56 CO 0.03 0.91 -0.48 1.96 -0.00 0.00 0.00 178.16 180.57 1iwp h GLN 57 N 0.95 0.31 -0.62 4.88 1.08 -0.35 -1.72 115.11 119.64 1iwp h GLN 57 Ca 0.20 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1iwp h GLN 57 Cb 0.37 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 1iwp h GLN 57 CO 0.00 0.72 0.29 0.00 -0.95 0.00 0.00 178.83 178.90 1iwp h ALA 58 N 1.25 0.81 -0.05 3.87 0.00 -0.09 0.24 119.26 125.29 1iwp h ALA 58 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1iwp h ALA 58 Cb 0.94 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1iwp h ALA 58 CO 0.08 0.38 0.02 1.96 0.00 0.00 0.00 179.25 181.69 1iwp h GLN 59 N 0.86 0.07 -0.69 0.00 4.20 -0.93 0.04 115.11 118.66 1iwp h GLN 59 Ca 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1iwp h GLN 59 Cb 0.14 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1iwp h GLN 59 CO -0.02 0.17 0.40 0.82 -0.67 0.00 0.00 178.83 179.53 1iwp h ILE 60 N -0.05 1.20 -0.09 2.54 2.04 -1.13 -1.24 117.51 120.78 1iwp h ILE 60 Ca 0.02 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1iwp h ILE 60 Cb 0.13 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1iwp h ILE 60 CO -0.00 0.22 -0.00 0.00 0.00 0.00 0.00 178.15 178.36 1iwp h ALA 61 N 1.48 0.12 0.00 1.87 0.00 -0.59 -2.95 119.26 119.20 1iwp h ALA 61 Ca 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1iwp h ALA 61 Cb -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1iwp h ALA 61 CO -0.04 -0.18 -0.15 1.05 0.00 0.00 0.00 179.25 179.92 1iwp h GLU 62 N -0.13 0.00 0.00 0.00 4.11 -0.73 0.30 114.58 118.13 1iwp h GLU 62 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1iwp h GLU 62 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iwp h GLU 62 CO 0.01 0.15 0.00 1.04 0.07 0.00 0.00 179.01 180.27 1iwp n GLN 63 N -3.48 0.53 -0.20 1.06 6.02 -0.49 -1.15 117.38 119.68 1iwp n GLN 63 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.05 1iwp n GLN 63 Cb 0.31 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.23 2.74 -1.36 -1.09 1.56 -0.17 -4.94 117.12 112.62 1iwp n MET 64 Ca 0.16 -2.10 -0.10 0.00 -0.27 0.00 0.00 57.70 55.39 1iwp n MET 64 Cb 0.21 -1.31 -0.04 0.00 2.15 0.00 0.00 33.22 34.23 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 0.70 -0.71 -2.91 2.12 1.13 -0.30 -4.93 117.38 112.49 1iwp n GLN 65 Ca 0.13 0.83 -0.40 0.00 -1.94 0.00 0.00 57.00 55.62 1iwp n GLN 65 Cb 0.45 -4.76 0.00 0.00 0.11 0.00 0.00 30.24 26.04 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 -2.65 4.59 -0.30 -1.09 1.74 -0.09 -4.79 116.66 114.07 1iwp n ARG 66 Ca -0.10 -4.63 -0.03 0.00 -0.77 0.00 0.00 57.85 52.32 1iwp n ARG 66 Cb 0.35 -2.46 0.12 0.00 -1.02 0.00 0.00 32.46 29.45 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 4.75 1.17 -0.37 -1.55 3.86 -1.84 -1.05 115.15 120.12 1iwp h HIS 67 Ca 0.31 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.53 1iwp h HIS 67 Cb 0.51 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1iwp h HIS 67 CO 1.09 0.81 0.19 0.00 0.86 0.00 0.00 177.93 180.88 1iwp h ALA 68 N 1.32 0.46 -0.46 2.45 0.00 -1.96 0.25 119.26 121.31 1iwp h ALA 68 Ca 0.30 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1iwp h ALA 68 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1iwp h ALA 68 CO -0.05 -0.18 0.17 0.28 0.00 0.00 0.00 179.25 179.47 1iwp h VAL 69 N 0.38 1.21 -0.92 0.00 2.07 -1.89 -1.30 116.25 115.80 1iwp h VAL 69 Ca 0.16 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1iwp h VAL 69 Cb 0.06 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1iwp h VAL 69 CO -0.11 0.25 0.58 0.00 0.02 0.00 0.00 177.57 178.31 1iwp h ALA 70 N 1.02 1.29 -0.70 1.67 0.00 -0.37 0.15 119.26 122.31 1iwp h ALA 70 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1iwp h ALA 70 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1iwp h ALA 70 CO -0.01 0.32 0.17 -0.09 0.00 0.00 0.00 179.25 179.64 1iwp h ARG 71 N 1.04 1.13 -0.34 0.00 2.43 -0.07 -1.01 114.38 117.55 1iwp h ARG 71 Ca 0.41 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1iwp h ARG 71 Cb 0.21 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1iwp h ARG 71 CO -0.19 0.99 0.08 -0.97 -1.51 0.00 0.00 179.97 178.38 1iwp h ASN 72 N 1.07 0.52 -0.60 -3.80 -1.24 -0.04 -0.69 115.58 110.80 1iwp h ASN 72 Ca 0.22 -0.23 0.01 0.00 0.71 0.00 0.00 56.30 57.01 1iwp h ASN 72 Cb 0.38 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 1iwp h ASN 72 CO 0.00 0.61 0.39 -0.26 -1.29 0.00 0.00 177.43 176.89 1iwp h PHE 73 N 0.40 0.74 -0.27 0.67 0.04 -0.43 0.15 116.94 118.23 1iwp h PHE 73 Ca 0.11 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 1iwp h PHE 73 Cb 0.30 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1iwp h PHE 73 CO 0.02 0.45 -0.20 0.00 -0.60 0.00 0.00 178.31 177.98 1iwp h ARG 74 N 0.79 0.50 -0.14 1.51 3.08 -1.02 0.10 114.38 119.19 1iwp h ARG 74 Ca 0.23 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 1iwp h ARG 74 Cb -0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1iwp h ARG 74 CO -0.07 0.67 -0.68 -0.09 -1.07 0.00 0.00 179.97 178.74 1iwp h ARG 75 N 0.45 0.59 -0.32 0.04 2.43 -0.62 -2.98 114.38 113.97 1iwp h ARG 75 Ca 0.07 -0.44 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1iwp h ARG 75 Cb 0.60 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1iwp h ARG 75 CO 0.04 1.06 -0.05 0.00 -1.51 0.00 0.00 179.97 179.51 1iwp h ALA 76 N 0.82 1.32 -0.91 2.80 0.00 -0.20 -2.51 119.26 120.58 1iwp h ALA 76 Ca -0.02 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.78 1iwp h ALA 76 Cb 1.27 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1iwp h ALA 76 CO 0.13 0.46 0.54 0.00 0.00 0.00 0.00 179.25 180.38 1iwp h ALA 77 N 1.47 1.36 0.00 0.00 0.00 -0.83 0.12 119.26 121.38 1iwp h ALA 77 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1iwp h ALA 77 Cb 0.39 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iwp h ALA 77 CO 0.02 0.10 -0.05 0.93 0.00 0.00 0.00 179.25 180.25 1iwp h GLU 78 N 0.84 0.00 0.00 0.00 5.08 -1.48 -2.73 114.58 116.29 1iwp h GLU 78 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1iwp h GLU 78 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1iwp h GLU 78 CO -0.29 0.05 -0.40 1.28 -1.00 0.00 0.00 179.01 178.65 1iwp n LEU 79 N -3.38 0.45 -0.19 1.33 4.77 0.02 -4.48 117.00 115.52 1iwp n LEU 79 Ca -0.02 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1iwp n LEU 79 Cb 0.19 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1iwp n LEU 79 CO 0.26 0.05 0.73 0.40 -1.33 0.00 0.00 177.39 177.50 1iwp h ILE 80 N 0.00 0.36 0.00 -0.08 2.04 -1.43 -2.28 117.51 116.12 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 0.56 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 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 1.48 1.00 -2.66 1.87 0.00 -1.83 -3.45 119.26 115.68 1iwp h ALA 81 Ca 0.28 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.66 1iwp h ALA 81 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.29 1iwp h ALA 81 CO -0.62 0.00 0.69 0.42 0.00 0.00 0.00 179.25 179.74 1iwp s ILE 82 N -3.37 3.12 0.52 0.00 1.01 -0.86 -4.95 121.20 116.67 1iwp s ILE 82 Ca 0.05 0.89 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 1iwp s ILE 82 Cb 0.09 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 1iwp s ILE 82 CO 0.55 0.12 1.33 -2.65 0.00 0.00 0.00 174.94 174.29 1iwp n PRO 83 N 2.91 1.75 -0.24 2.79 -0.02 -1.26 -4.74 135.00 136.18 1iwp n PRO 83 Ca 0.08 0.64 0.04 0.00 -2.02 0.00 0.00 63.50 62.24 1iwp n PRO 83 Cb 0.42 -2.53 0.17 0.00 -0.02 0.00 0.00 33.50 31.54 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 1.57 0.18 -0.54 2.55 3.45 -1.93 0.63 116.42 122.32 1iwp h ASP 84 Ca -0.50 0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.07 1iwp h ASP 84 Cb 1.30 0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 40.16 1iwp h ASP 84 CO 0.57 0.06 0.32 -0.33 -1.57 0.00 0.00 179.24 178.29 1iwp h GLU 85 N 0.37 0.76 -0.01 3.56 3.07 -1.99 0.22 114.58 120.56 1iwp h GLU 85 Ca 0.39 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 59.00 1iwp h GLU 85 Cb 0.60 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1iwp h GLU 85 CO -0.42 0.55 -0.82 -0.09 -1.40 0.00 0.00 179.01 176.83 1iwp h ARG 86 N 0.77 0.20 -0.11 2.33 9.65 -1.37 -0.60 114.38 125.25 1iwp h ARG 86 Ca 0.20 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1iwp h ARG 86 Cb 0.00 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1iwp h ARG 86 CO -0.03 0.91 0.04 0.82 2.80 0.00 0.00 179.97 184.50 1iwp h ILE 87 N 0.12 1.17 -0.59 1.20 1.08 -0.01 0.67 117.51 121.15 1iwp h ILE 87 Ca -0.03 -0.53 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1iwp h ILE 87 Cb 1.42 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 1iwp h ILE 87 CO 0.12 0.16 0.39 -0.07 -0.69 0.00 0.00 178.15 178.06 1iwp h LEU 88 N -0.00 0.67 -0.49 1.44 3.38 -0.95 -0.08 115.31 119.29 1iwp h LEU 88 Ca 0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1iwp h LEU 88 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1iwp h LEU 88 CO -0.00 0.49 0.30 0.00 0.09 0.00 0.00 178.44 179.31 1iwp h ALA 89 N 1.22 0.62 -0.50 1.53 0.00 -0.76 -0.61 119.26 120.76 1iwp h ALA 89 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1iwp h ALA 89 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1iwp h ALA 89 CO -0.05 0.01 -0.01 0.82 0.00 0.00 0.00 179.25 180.02 1iwp h ILE 90 N 0.60 1.26 0.09 0.00 2.04 -0.50 -0.84 117.51 120.16 1iwp h ILE 90 Ca 0.19 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1iwp h ILE 90 Cb -0.00 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1iwp h ILE 90 CO -0.08 0.39 -0.23 0.22 0.00 0.00 0.00 178.15 178.45 1iwp h TYR 91 N 0.76 -0.61 -0.99 1.37 3.20 -0.56 -1.95 116.97 118.18 1iwp h TYR 91 Ca 0.14 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 1iwp h TYR 91 Cb 0.53 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 1iwp h TYR 91 CO 0.04 -0.33 0.64 -0.91 -1.64 0.00 0.00 178.16 175.96 1iwp h ASN 92 N -0.41 1.02 0.19 -2.11 2.35 -0.95 0.25 115.58 115.92 1iwp h ASN 92 Ca 0.04 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1iwp h ASN 92 Cb 0.45 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1iwp h ASN 92 CO -0.15 0.66 -0.02 0.00 -1.65 0.00 0.00 177.43 176.27 1iwp h ALA 93 N 1.46 1.15 0.00 -0.83 0.00 -0.51 0.60 119.26 121.14 1iwp h ALA 93 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1iwp h ALA 93 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iwp h ALA 93 CO -0.16 0.02 -0.51 1.28 0.00 0.00 0.00 179.25 179.88 1iwp n LEU 94 N -3.33 0.57 -4.77 0.00 4.32 0.05 -3.74 117.00 110.10 1iwp n LEU 94 Ca -0.02 0.18 -0.36 0.00 -0.02 0.00 0.00 56.01 55.79 1iwp n LEU 94 Cb 0.13 -0.24 -0.01 0.00 -1.62 0.00 0.00 43.42 41.68 1iwp n LEU 94 CO 0.24 0.01 0.79 -0.13 -1.22 0.00 0.00 177.39 177.08 1iwp s ARG 95 N -3.09 3.58 0.21 3.23 0.52 0.20 -4.90 118.95 118.70 1iwp s ARG 95 Ca 0.09 1.65 -0.31 0.00 -0.52 0.00 0.00 55.73 56.64 1iwp s ARG 95 Cb 0.15 -2.19 -0.16 0.00 0.52 0.00 0.00 34.95 33.28 1iwp s ARG 95 CO 0.69 -0.67 1.01 -0.35 0.02 0.00 0.00 175.30 176.00 1iwp n PRO 96 N -0.90 0.99 -0.82 3.54 -0.04 -1.26 -2.54 135.00 133.97 1iwp n PRO 96 Ca 0.09 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1iwp n PRO 96 Cb 0.50 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.84 0.00 0.05 0.54 3.72 0.10 -4.86 117.46 117.84 1iwp n PHE 97 Ca 0.14 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.34 1iwp n PHE 97 Cb 0.26 -1.19 -0.12 0.00 -0.94 0.00 0.00 39.48 37.49 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 0.65 0.54 -6.26 -1.08 -0.00 -1.72 -3.28 114.38 103.23 1iwp h ARG 98 Ca 0.00 -0.66 -0.57 0.00 -0.50 0.00 0.00 59.98 58.25 1iwp h ARG 98 Cb 0.32 0.21 -0.10 0.00 0.00 0.00 0.00 29.97 30.40 1iwp h ARG 98 CO 0.00 1.27 -0.65 -1.12 0.00 0.00 0.00 179.97 179.47 1iwp s SER 99 N -7.13 4.64 0.41 7.04 0.01 -1.25 -4.72 113.70 112.70 1iwp s SER 99 Ca -0.11 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.61 1iwp s SER 99 Cb 0.05 -0.91 -0.01 0.00 0.21 0.00 0.00 66.02 65.35 1iwp s SER 99 CO 0.88 0.03 0.60 -0.94 0.41 0.00 0.00 173.24 174.22 1iwp s SER 100 N -3.45 5.94 0.16 2.44 1.04 -1.26 0.62 113.70 119.19 1iwp s SER 100 Ca 0.30 0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.78 1iwp s SER 100 Cb -0.07 -1.55 0.07 0.00 0.10 0.00 0.00 66.02 64.57 1iwp s SER 100 CO 0.20 -0.57 1.77 -0.61 0.98 0.00 0.00 173.24 175.00 1iwp h GLN 101 N 0.57 0.36 -0.65 4.02 4.15 -1.93 -2.13 115.11 119.50 1iwp h GLN 101 Ca -0.47 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 58.98 1iwp h GLN 101 Cb 1.25 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.81 1iwp h GLN 101 CO 0.57 0.24 0.37 0.00 -1.93 0.00 0.00 178.83 178.08 1iwp h ALA 102 N 1.23 0.86 -0.31 3.38 0.00 -1.98 -0.80 119.26 121.64 1iwp h ALA 102 Ca 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1iwp h ALA 102 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1iwp h ALA 102 CO -0.14 0.08 -0.02 0.93 0.00 0.00 0.00 179.25 180.09 1iwp h GLU 103 N 0.71 0.48 -0.20 0.00 5.08 -1.84 0.20 114.58 119.01 1iwp h GLU 103 Ca 0.28 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1iwp h GLU 103 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1iwp h GLU 103 CO -0.15 0.52 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.02 1iwp h LEU 104 N 0.46 0.60 -1.09 1.33 3.38 -0.75 -1.77 115.31 117.46 1iwp h LEU 104 Ca 0.10 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1iwp h LEU 104 Cb 0.33 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1iwp h LEU 104 CO 0.01 0.99 0.32 -0.07 0.09 0.00 0.00 178.44 179.79 1iwp h LEU 105 N 0.21 0.87 -0.94 1.67 4.07 -0.61 0.72 115.31 121.29 1iwp h LEU 105 Ca 0.02 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.80 1iwp h LEU 105 Cb 0.86 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1iwp h LEU 105 CO 0.07 0.74 -0.18 0.00 -1.08 0.00 0.00 178.44 177.99 1iwp h ALA 106 N 1.39 1.11 -0.51 1.53 0.00 -0.53 0.09 119.26 122.34 1iwp h ALA 106 Ca 0.23 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1iwp h ALA 106 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1iwp h ALA 106 CO -0.03 0.55 -0.10 0.82 0.00 0.00 0.00 179.25 180.49 1iwp h ILE 107 N 0.51 1.26 -0.47 0.00 2.04 -0.33 -0.70 117.51 119.83 1iwp h ILE 107 Ca 0.08 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1iwp h ILE 107 Cb 0.60 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1iwp h ILE 107 CO 0.04 0.43 0.03 0.00 0.00 0.00 0.00 178.15 178.65 1iwp h ALA 108 N 1.04 1.17 -0.22 1.87 0.00 -0.26 -0.21 119.26 122.65 1iwp h ALA 108 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1iwp h ALA 108 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1iwp h ALA 108 CO 0.04 0.54 0.04 -0.44 0.00 0.00 0.00 179.25 179.44 1iwp h ASP 109 N 0.71 0.34 -0.38 0.00 3.32 -0.45 -0.65 116.42 119.31 1iwp h ASP 109 Ca 0.14 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1iwp h ASP 109 Cb 0.40 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1iwp h ASP 109 CO 0.01 0.50 0.20 -0.08 -1.72 0.00 0.00 179.24 178.15 1iwp h GLU 110 N 0.17 0.39 0.03 3.56 4.81 -0.75 -0.13 114.58 122.66 1iwp h GLU 110 Ca 0.07 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1iwp h GLU 110 Cb 0.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1iwp h GLU 110 CO 0.00 0.26 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.39 1iwp h LEU 111 N 0.40 -0.21 0.14 1.64 3.38 -0.90 0.28 115.31 120.04 1iwp h LEU 111 Ca 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1iwp h LEU 111 Cb 0.06 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1iwp h LEU 111 CO -0.10 -0.12 -0.07 -0.08 0.09 0.00 0.00 178.44 178.16 1iwp h GLU 112 N -0.15 -0.18 0.00 1.13 4.81 -0.89 0.43 114.58 119.73 1iwp h GLU 112 Ca 0.02 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1iwp h GLU 112 Cb 0.17 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1iwp h GLU 112 CO -0.05 0.10 -1.45 0.72 -0.73 0.00 0.00 179.01 177.59 1iwp n HIS 113 N -5.05 0.75 -0.09 0.92 8.25 -0.08 -2.30 115.22 117.63 1iwp n HIS 113 Ca -0.09 0.24 -0.13 0.00 -0.26 0.00 0.00 57.72 57.49 1iwp n HIS 113 Cb 0.20 -0.95 -0.15 0.00 1.12 0.00 0.00 29.99 30.21 1iwp n HIS 113 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1iwp n THR 114 N -2.71 1.48 0.45 1.59 -1.04 0.91 -4.51 114.28 110.44 1iwp n THR 114 Ca -0.08 -0.77 0.05 0.00 -2.04 0.00 0.00 64.05 61.22 1iwp n THR 114 Cb 0.73 -0.87 -0.02 0.00 -1.82 0.00 0.00 70.33 68.35 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 -2.97 0.00 -1.99 -1.42 7.02 -0.85 -4.97 117.44 112.26 1iwp n TRP 115 Ca -0.34 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 55.96 1iwp n TRP 115 Cb 1.09 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.94 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 -0.66 -0.63 -2.21 -5.99 8.25 -0.09 -4.84 115.22 109.04 1iwp n HIS 116 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1iwp n HIS 116 Cb 0.19 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 27.88 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 -0.53 5.64 -0.34 -1.41 0.00 0.13 -4.78 120.51 119.22 1iwp n ALA 117 Ca -0.20 -4.23 0.03 0.00 0.00 0.00 0.00 53.44 49.03 1iwp n ALA 117 Cb 0.64 -3.00 0.17 0.00 0.00 0.00 0.00 19.45 17.26 1iwp n ALA 117 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1iwp h THR 118 N 3.58 1.03 -0.35 0.00 1.35 -1.82 0.15 112.91 116.85 1iwp h THR 118 Ca 0.46 -0.36 -0.14 0.00 -0.55 0.00 0.00 66.41 65.82 1iwp h THR 118 Cb 0.57 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 1iwp h THR 118 CO 1.63 0.19 -0.33 0.58 -0.25 0.00 0.00 175.52 177.34 1iwp h VAL 119 N 1.05 1.28 -0.28 6.82 2.07 -1.96 -1.07 116.25 124.16 1iwp h VAL 119 Ca 0.42 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 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 0.50 -0.21 0.78 0.02 0.00 0.00 177.57 178.46 1iwp h ASN 120 N 0.64 0.51 -0.39 0.57 2.35 -1.77 0.19 115.58 117.69 1iwp h ASN 120 Ca 0.06 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1iwp h ASN 120 Cb 0.92 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 1iwp h ASN 120 CO 0.08 0.73 0.14 0.00 -1.65 0.00 0.00 177.43 176.73 1iwp h ALA 121 N 1.32 0.51 -0.45 -0.83 0.00 -0.52 0.15 119.26 119.43 1iwp h ALA 121 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1iwp h ALA 121 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1iwp h ALA 121 CO 0.04 0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.45 1iwp h ALA 122 N 0.98 1.19 -0.39 0.00 0.00 -0.74 -0.14 119.26 120.16 1iwp h ALA 122 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1iwp h ALA 122 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1iwp h ALA 122 CO -0.01 0.53 0.17 0.35 0.00 0.00 0.00 179.25 180.30 1iwp h PHE 123 N 0.68 0.58 -0.14 0.00 3.57 0.11 -0.78 116.94 120.96 1iwp h PHE 123 Ca 0.14 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 1iwp h PHE 123 Cb 0.39 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1iwp h PHE 123 CO 0.02 0.50 -0.55 0.28 -2.23 0.00 0.00 178.31 176.33 1iwp h VAL 124 N 0.49 1.34 -0.13 1.41 2.07 -0.44 -1.24 116.25 119.74 1iwp h VAL 124 Ca 0.13 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 1iwp h VAL 124 Cb 0.15 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1iwp h VAL 124 CO -0.01 0.56 -0.22 -0.09 0.02 0.00 0.00 177.57 177.83 1iwp h ARG 125 N 0.33 0.22 -0.27 1.57 9.65 -0.80 -0.64 114.38 124.44 1iwp h ARG 125 Ca 0.00 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.70 1iwp h ARG 125 Cb 1.07 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1iwp h ARG 125 CO 0.10 0.43 -0.31 1.49 2.80 0.00 0.00 179.97 184.48 1iwp h GLU 126 N 0.20 0.69 -0.76 0.20 4.81 -0.68 -2.92 114.58 116.12 1iwp h GLU 126 Ca 0.04 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1iwp h GLU 126 Cb 0.50 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1iwp h GLU 126 CO 0.03 1.00 0.34 0.66 -0.73 0.00 0.00 179.01 180.32 1iwp h SER 127 N 0.43 1.00 -0.31 1.04 4.64 -0.61 -1.03 113.55 118.71 1iwp h SER 127 Ca 0.04 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1iwp h SER 127 Cb 0.89 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 1iwp h SER 127 CO 0.08 0.86 0.03 0.00 -0.87 0.00 0.00 176.83 176.93 1iwp h ALA 128 N 1.29 0.30 0.02 5.18 0.00 -1.01 0.44 119.26 125.47 1iwp h ALA 128 Ca 0.26 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1iwp h ALA 128 Cb 0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iwp h ALA 128 CO -0.03 -0.37 -0.01 1.49 0.00 0.00 0.00 179.25 180.33 1iwp h GLU 129 N 0.14 -0.02 -0.35 0.00 4.81 -1.29 -0.91 114.58 116.95 1iwp h GLU 129 Ca 0.15 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1iwp h GLU 129 Cb 0.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1iwp h GLU 129 CO -0.21 0.26 0.11 0.28 -0.73 0.00 0.00 179.01 178.72 1iwp h VAL 130 N -0.30 0.89 -0.73 0.32 2.07 -0.91 0.16 116.25 117.74 1iwp h VAL 130 Ca -0.00 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1iwp h VAL 130 Cb 0.29 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1iwp h VAL 130 CO 0.00 0.05 0.48 1.88 0.02 0.00 0.00 177.57 180.00 1iwp h TYR 131 N 0.26 0.89 -0.02 1.57 -1.99 -0.09 0.47 116.97 118.05 1iwp h TYR 131 Ca 0.16 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1iwp h TYR 131 Cb 0.14 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 1iwp h TYR 131 CO -0.15 0.55 -0.00 0.37 -0.00 0.00 0.00 178.16 178.93 1iwp h GLN 132 N 0.95 0.04 -0.18 4.88 -0.00 -0.02 0.39 115.11 121.16 1iwp h GLN 132 Ca 0.28 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.81 1iwp h GLN 132 Cb -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 1iwp h GLN 132 CO -0.07 0.34 -0.33 1.96 0.00 0.00 0.00 178.83 180.73 1iwp h GLN 133 N -0.27 0.36 -0.51 1.69 4.20 -0.17 -3.10 115.11 117.31 1iwp h GLN 133 Ca 0.01 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1iwp h GLN 133 Cb 0.33 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1iwp h GLN 133 CO 0.00 0.66 0.00 0.54 -0.67 0.00 0.00 178.83 179.36 1iwp n ARG 134 N -4.08 4.36 -3.88 1.46 5.12 0.16 -4.97 116.66 114.83 1iwp n ARG 134 Ca -0.01 -3.07 -0.25 0.00 -1.93 0.00 0.00 57.85 52.60 1iwp n ARG 134 Cb 0.44 -2.14 -0.00 0.00 -1.16 0.00 0.00 32.46 29.60 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 0.43 -1.76 -0.02 -1.55 8.25 -0.16 -4.89 115.22 115.51 1iwp n HIS 135 Ca 0.26 0.79 0.05 0.00 -0.26 0.00 0.00 57.72 58.56 1iwp n HIS 135 Cb 1.10 -3.94 0.12 0.00 1.12 0.00 0.00 29.99 28.39 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 -4.37 2.31 -1.97 -0.41 4.76 0.12 -4.95 118.16 113.65 1iwp n LYS 136 Ca -0.28 -1.82 -0.29 0.00 -2.87 0.00 0.00 58.31 53.05 1iwp n LYS 136 Cb 0.67 -1.25 0.06 0.00 -1.84 0.00 0.00 35.03 32.67 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 -0.98 2.84 0.16 -0.35 1.43 -1.23 0.01 118.68 120.57 1iwp s LEU 137 Ca 0.20 0.95 -0.32 0.00 -1.03 0.00 0.00 54.13 53.94 1iwp s LEU 137 Cb 0.11 -3.67 -0.11 0.00 0.03 0.00 0.00 46.19 42.55 1iwp s LEU 137 CO 0.15 -1.46 1.80 -1.14 0.23 0.00 0.00 176.35 175.93 1iwp n ARG 138 N -3.02 2.80 -1.67 1.70 0.63 0.20 -4.30 116.66 113.00 1iwp n ARG 138 Ca 0.07 1.01 -0.51 0.00 -0.92 0.00 0.00 57.85 57.51 1iwp n ARG 138 Cb 0.58 -2.89 -0.05 0.00 0.45 0.00 0.00 32.46 30.55 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 4.99 1.71 -2.26 -0.14 4.76 -1.26 -3.01 118.16 122.94 1iwp n LYS 139 Ca 0.17 0.62 -0.05 0.00 -2.87 0.00 0.00 58.31 56.18 1iwp n LYS 139 Cb 0.36 -2.37 0.03 0.00 -1.84 0.00 0.00 35.03 31.21 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 3.73 -0.14 0.00 0.72 0.00 -1.26 -5.16 105.19 103.08 1iwp n GLY 140 Ca 0.21 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1iwp n GLY 140 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76