#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwp s THR 12 N 0.00 4.46 0.05 4.37 2.01 0.51 -4.83 115.64 122.20 1iwp s THR 12 Ca 0.00 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1iwp s THR 12 Cb 0.00 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1iwp s THR 12 CO 0.00 0.52 1.20 -0.22 -0.69 0.00 0.00 174.62 175.42 1iwp s LEU 13 N -0.06 4.36 -0.05 4.42 1.98 -1.26 -0.51 118.68 127.56 1iwp s LEU 13 Ca 0.05 1.99 -0.00 0.00 -2.89 0.00 0.00 54.13 53.27 1iwp s LEU 13 Cb -0.12 -3.58 0.03 0.00 0.66 0.00 0.00 46.19 43.18 1iwp s LEU 13 CO 0.02 -0.48 -0.00 -0.75 -1.89 0.00 0.00 176.35 173.25 1iwp s LYS 14 N 1.18 0.45 0.16 1.98 2.36 0.39 -4.36 119.74 121.90 1iwp s LYS 14 Ca 0.58 0.09 -0.29 0.00 -2.55 0.00 0.00 55.97 53.80 1iwp s LYS 14 Cb -0.29 -0.71 -0.07 0.00 -1.05 0.00 0.00 37.83 35.71 1iwp s LYS 14 CO 0.28 -0.20 0.90 0.99 1.55 0.00 0.00 175.35 178.88 1iwp s THR 15 N 1.44 4.35 -0.12 3.43 2.01 -1.26 -0.29 115.64 125.20 1iwp s THR 15 Ca -0.04 1.98 -0.01 0.00 0.31 0.00 0.00 61.69 63.93 1iwp s THR 15 Cb -0.13 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.14 1iwp s THR 15 CO -0.03 0.42 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.70 1iwp s ARG 16 N -0.60 1.01 0.11 4.92 3.52 -0.13 -4.93 118.95 122.86 1iwp s ARG 16 Ca 0.42 -0.19 -0.31 0.00 -0.13 0.00 0.00 55.73 55.52 1iwp s ARG 16 Cb -0.24 -1.52 -0.07 0.00 -1.56 0.00 0.00 34.95 31.56 1iwp s ARG 16 CO 0.29 -0.37 1.35 -1.21 -0.81 0.00 0.00 175.30 174.55 1iwp s GLU 17 N 1.82 4.34 0.00 5.12 2.02 -1.26 0.75 118.70 131.49 1iwp s GLU 17 Ca 0.03 2.02 0.00 0.00 0.02 0.00 0.00 54.97 57.04 1iwp s GLU 17 Cb -0.14 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1iwp s GLU 17 CO -0.07 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1iwp n GLY 18 N 3.43 1.46 0.00 -1.39 0.00 0.94 -4.89 105.19 104.75 1iwp n GLY 18 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1iwp n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwp n GLY 19 N 5.00 2.03 3.68 -0.02 0.00 -1.26 -4.67 105.19 109.96 1iwp n GLY 19 Ca 0.00 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.46 1iwp n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1iwp n VAL 20 N -0.72 0.30 -2.23 1.61 3.14 -1.26 -0.04 118.33 119.13 1iwp n VAL 20 Ca 0.00 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 60.88 1iwp n VAL 20 Cb 0.00 -1.64 -0.03 0.00 -1.06 0.00 0.00 33.84 31.12 1iwp n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1iwp s ALA 21 N 0.66 3.57 0.69 1.55 0.00 -0.59 -4.58 121.76 123.06 1iwp s ALA 21 Ca 0.75 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 1iwp s ALA 21 Cb -0.63 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 18.94 1iwp s ALA 21 CO 0.40 -0.80 1.10 0.45 0.00 0.00 0.00 175.76 176.91 1iwp s SER 22 N 1.62 5.02 -0.02 0.00 0.15 -1.26 -4.78 113.70 114.43 1iwp s SER 22 Ca 0.64 1.91 0.16 0.00 0.70 0.00 0.00 55.95 59.35 1iwp s SER 22 Cb -0.33 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 61.94 1iwp s SER 22 CO 0.28 -1.69 1.40 0.00 1.20 0.00 0.00 173.24 174.43 1iwp n ALA 23 N -2.74 2.53 -2.65 5.45 0.00 -1.26 -4.70 120.51 117.14 1iwp n ALA 23 Ca 0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 53.44 52.50 1iwp n ALA 23 Cb 0.52 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 19.10 1iwp n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iwp n ASP 24 N 1.03 -1.05 -4.46 0.00 4.64 -1.16 -4.52 116.55 111.02 1iwp n ASP 24 Ca 0.18 -1.56 -0.43 0.00 -1.38 0.00 0.00 54.79 51.60 1iwp n ASP 24 Cb 0.51 0.82 -0.03 0.00 -1.04 0.00 0.00 41.12 41.37 1iwp n ASP 24 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1iwp s GLU 25 N 0.01 3.30 0.23 -0.67 2.02 -1.26 -4.84 118.70 117.49 1iwp s GLU 25 Ca 0.22 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1iwp s GLU 25 Cb 0.26 -4.52 0.00 0.00 0.10 0.00 0.00 34.13 29.96 1iwp s GLU 25 CO -0.15 -1.85 0.00 0.54 0.02 0.00 0.00 175.26 173.82 1iwp n ARG 26 N 7.51 -1.51 0.02 1.61 1.74 -1.26 -4.69 116.66 120.08 1iwp n ARG 26 Ca 0.08 1.19 0.03 0.00 -0.77 0.00 0.00 57.85 58.37 1iwp n ARG 26 Cb 0.47 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.29 1iwp n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwp n ALA 27 N -2.19 2.13 -1.88 7.54 0.00 -1.26 -3.47 120.51 121.38 1iwp n ALA 27 Ca -0.01 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.47 1iwp n ALA 27 Cb 0.21 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 1iwp n ALA 27 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iwp n ASP 28 N -2.73 7.96 -4.16 0.00 3.85 -1.26 -3.21 116.55 117.00 1iwp n ASP 28 Ca -0.10 -3.09 -0.11 0.00 -0.71 0.00 0.00 54.79 50.78 1iwp n ASP 28 Cb 0.78 -1.37 -0.09 0.00 -1.35 0.00 0.00 41.12 39.09 1iwp n ASP 28 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 1iwp s GLU 29 N -0.88 1.25 -0.07 0.11 -1.05 -1.26 -1.53 118.70 115.27 1iwp s GLU 29 Ca 0.56 -1.54 -0.02 0.00 -0.15 0.00 0.00 54.97 53.82 1iwp s GLU 29 Cb 0.20 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 34.23 1iwp s GLU 29 CO -0.10 -0.43 0.03 0.08 0.95 0.00 0.00 175.26 175.79 1iwp s VAL 30 N -4.13 0.14 -0.09 1.83 1.01 -0.11 -4.01 120.40 115.05 1iwp s VAL 30 Ca 0.35 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 1iwp s VAL 30 Cb 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1iwp s VAL 30 CO 0.11 0.18 0.64 -0.69 0.00 0.00 0.00 175.10 175.34 1iwp s VAL 31 N 2.06 5.08 -0.42 2.92 1.01 -1.23 -1.52 120.40 128.31 1iwp s VAL 31 Ca 0.05 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 1iwp s VAL 31 Cb -0.12 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1iwp s VAL 31 CO -0.05 0.26 0.28 -0.63 0.00 0.00 0.00 175.10 174.97 1iwp s ILE 32 N 0.80 4.70 -0.34 2.22 -1.09 0.12 -0.68 121.20 126.93 1iwp s ILE 32 Ca 0.34 -1.08 -0.16 0.00 -2.23 0.00 0.00 60.65 57.52 1iwp s ILE 32 Cb -0.17 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1iwp s ILE 32 CO 0.16 -0.43 0.42 -0.83 -1.23 0.00 0.00 174.94 173.03 1iwp s GLY 33 N 2.03 1.87 0.18 6.18 0.00 0.24 0.16 107.32 117.98 1iwp s GLY 33 Ca 0.03 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1iwp s GLY 33 CO 0.05 1.10 0.33 -1.34 0.00 0.00 0.00 173.10 173.24 1iwp s VAL 34 N 2.16 5.28 0.97 1.40 -7.23 0.45 -1.29 120.40 122.14 1iwp s VAL 34 Ca 0.14 -0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 1iwp s VAL 34 Cb -0.16 -3.75 0.15 0.00 0.56 0.00 0.00 36.38 33.17 1iwp s VAL 34 CO 0.12 -0.15 0.98 0.61 -0.31 0.00 0.00 175.10 176.35 1iwp n GLY 35 N -0.69 -0.92 0.45 2.32 0.00 0.44 -1.28 105.19 105.51 1iwp n GLY 35 Ca -0.06 -0.79 0.26 0.00 0.00 0.00 0.00 46.02 45.43 1iwp n GLY 35 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iwp h PRO 36 N -1.97 0.00 -0.01 1.61 0.11 -1.74 -1.63 132.00 128.38 1iwp h PRO 36 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1iwp h PRO 36 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1iwp h PRO 36 CO 0.41 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.17 1iwp n ALA 37 N -2.52 2.52 -1.66 -0.75 0.00 -1.26 -4.83 120.51 112.01 1iwp n ALA 37 Ca 0.15 -0.50 -0.47 0.00 0.00 0.00 0.00 53.44 52.62 1iwp n ALA 37 Cb 0.91 -0.20 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 1iwp n ALA 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1iwp n PHE 38 N 0.16 2.18 -4.07 0.00 -0.00 -0.62 -1.17 117.46 113.93 1iwp n PHE 38 Ca 0.03 0.32 -0.32 0.00 -0.00 0.00 0.00 57.45 57.48 1iwp n PHE 38 Cb 0.14 -2.52 -0.01 0.00 -0.00 0.00 0.00 39.48 37.10 1iwp n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1iwp n ASP 39 N 3.32 -3.11 0.06 -2.13 4.64 -0.94 -4.67 116.55 113.72 1iwp n ASP 39 Ca 0.17 -0.94 0.00 0.00 -1.38 0.00 0.00 54.79 52.64 1iwp n ASP 39 Cb 0.27 -3.17 0.00 0.00 -1.04 0.00 0.00 41.12 37.19 1iwp n ASP 39 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1iwp n LYS 40 N -4.47 0.00 -0.05 -0.67 4.81 -0.80 -4.71 118.16 112.27 1iwp n LYS 40 Ca -0.02 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1iwp n LYS 40 Cb 0.54 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.43 1iwp n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1iwp n HIS 41 N -2.78 0.00 -4.36 5.64 8.25 -0.32 -4.90 115.22 116.74 1iwp n HIS 41 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1iwp n HIS 41 Cb 0.00 -0.70 -0.12 0.00 1.12 0.00 0.00 29.99 30.29 1iwp n HIS 41 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1iwp s GLN 42 N -3.01 1.35 0.00 -0.41 -0.21 -0.49 -5.06 119.66 111.83 1iwp s GLN 42 Ca -0.09 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 53.88 1iwp s GLN 42 Cb 0.10 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.56 1iwp s GLN 42 CO 0.84 0.33 0.06 0.72 -2.12 0.00 0.00 175.29 175.12 1iwp n HIS 43 N 0.41 0.00 -4.02 0.91 8.25 -1.26 -2.22 115.22 117.29 1iwp n HIS 43 Ca -0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.23 1iwp n HIS 43 Cb 0.56 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.58 1iwp n HIS 43 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1iwp s HIS 44 N -0.12 0.51 0.15 4.41 3.76 -1.26 -1.28 115.29 121.46 1iwp s HIS 44 Ca 0.00 -0.93 -0.02 0.00 -0.15 0.00 0.00 55.06 53.96 1iwp s HIS 44 Cb 0.00 -0.25 0.03 0.00 1.11 0.00 0.00 32.58 33.47 1iwp s HIS 44 CO 0.00 -0.55 0.20 0.25 -0.85 0.00 0.00 174.74 173.79 1iwp n THR 45 N -0.08 0.00 0.24 1.30 -2.24 -0.88 -4.57 114.28 108.05 1iwp n THR 45 Ca -0.10 -0.20 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1iwp n THR 45 Cb 0.63 -1.69 0.59 0.00 -2.10 0.00 0.00 70.33 67.75 1iwp n THR 45 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1iwp h LEU 46 N 0.00 0.00 -3.71 3.22 3.38 -1.74 -2.16 115.31 114.30 1iwp h LEU 46 Ca -0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.62 1iwp h LEU 46 Cb 0.20 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.78 1iwp h LEU 46 CO 0.05 0.12 0.30 2.30 0.09 0.00 0.00 178.44 181.31 1iwp n ILE 47 N -4.28 2.90 -3.54 1.22 -5.35 -1.26 -4.96 119.36 104.09 1iwp n ILE 47 Ca -0.03 -1.95 -0.26 0.00 -0.27 0.00 0.00 62.75 60.24 1iwp n ILE 47 Cb 0.19 -0.38 0.05 0.00 -1.74 0.00 0.00 39.64 37.77 1iwp n ILE 47 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1iwp n ASP 48 N -0.67 -5.68 -4.22 7.28 8.00 -0.81 -4.99 116.55 115.47 1iwp n ASP 48 Ca 0.44 -0.92 -0.34 0.00 0.71 0.00 0.00 54.79 54.68 1iwp n ASP 48 Cb 1.37 -3.98 -0.15 0.00 -0.02 0.00 0.00 41.12 38.34 1iwp n ASP 48 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1iwp s MET 49 N -5.47 3.09 0.22 -1.24 1.75 -1.26 -4.83 119.30 111.55 1iwp s MET 49 Ca 0.46 -0.80 -0.32 0.00 -1.25 0.00 0.00 55.69 53.79 1iwp s MET 49 Cb -0.13 -2.87 -0.13 0.00 2.84 0.00 0.00 34.83 34.54 1iwp s MET 49 CO 0.82 -0.26 1.55 -0.35 -0.65 0.00 0.00 175.02 176.13 1iwp n PRO 50 N 4.70 2.30 -0.04 4.11 -0.04 -1.26 -2.07 135.00 142.70 1iwp n PRO 50 Ca -0.19 0.82 0.10 0.00 -0.04 0.00 0.00 63.50 64.20 1iwp n PRO 50 Cb 0.49 -2.57 0.50 0.00 -0.04 0.00 0.00 33.50 31.89 1iwp n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1iwp h HIS 51 N 5.29 0.40 -0.04 0.54 3.86 -1.55 -2.64 115.15 121.01 1iwp h HIS 51 Ca -0.45 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1iwp h HIS 51 Cb 1.25 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1iwp h HIS 51 CO 0.60 0.21 0.02 0.78 0.86 0.00 0.00 177.93 180.40 1iwp h GLY 52 N 0.39 0.06 1.94 2.45 0.00 -1.83 -0.68 103.07 105.40 1iwp h GLY 52 Ca 0.23 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1iwp h GLY 52 CO -0.06 0.03 -0.24 0.00 0.00 0.00 0.00 176.54 176.27 1iwp h ALA 53 N 0.97 1.52 -0.14 3.60 0.00 -1.77 0.95 119.26 124.39 1iwp h ALA 53 Ca 0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1iwp h ALA 53 Cb 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1iwp h ALA 53 CO -0.00 0.36 -0.51 0.82 0.00 0.00 0.00 179.25 179.91 1iwp h ILE 54 N 0.07 1.34 -0.74 0.00 2.04 -1.27 -1.86 117.51 117.09 1iwp h ILE 54 Ca 0.01 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.03 1iwp h ILE 54 Cb 0.47 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1iwp h ILE 54 CO 0.03 0.55 0.25 0.25 0.00 0.00 0.00 178.15 179.23 1iwp h LEU 55 N 0.25 1.06 -0.96 1.44 5.85 -0.75 -1.25 115.31 120.95 1iwp h LEU 55 Ca -0.02 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1iwp h LEU 55 Cb 1.14 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1iwp h LEU 55 CO 0.11 0.98 0.63 0.50 -0.34 0.00 0.00 178.44 180.31 1iwp h LYS 56 N 1.09 1.16 -0.24 1.25 3.64 -0.72 -0.02 116.57 122.72 1iwp h LYS 56 Ca 0.24 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1iwp h LYS 56 Cb 0.28 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1iwp h LYS 56 CO -0.01 0.77 -0.21 0.93 -2.27 0.00 0.00 179.45 178.65 1iwp h GLU 57 N 1.19 0.57 0.89 1.90 4.39 -0.76 -1.42 114.58 121.35 1iwp h GLU 57 Ca 0.39 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1iwp h GLU 57 Cb 0.05 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1iwp h GLU 57 CO -0.14 0.88 -0.44 -0.07 -1.16 0.00 0.00 179.01 178.08 1iwp h LEU 58 N 0.28 -1.05 -0.27 1.33 3.38 -0.82 0.23 115.31 118.38 1iwp h LEU 58 Ca 0.04 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1iwp h LEU 58 Cb 0.76 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 1iwp h LEU 58 CO 0.05 -0.74 -0.29 0.40 0.09 0.00 0.00 178.44 177.96 1iwp h ILE 59 N -1.21 0.31 -0.50 1.22 2.04 -1.08 -1.03 117.51 117.26 1iwp h ILE 59 Ca -0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1iwp h ILE 59 Cb 0.93 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1iwp h ILE 59 CO 0.19 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.50 1iwp h ALA 60 N 0.70 0.60 -0.69 1.87 0.00 -1.16 0.20 119.26 120.78 1iwp h ALA 60 Ca 0.14 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1iwp h ALA 60 Cb 0.51 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1iwp h ALA 60 CO -0.43 -0.24 0.36 0.78 0.00 0.00 0.00 179.25 179.72 1iwp h GLY 61 N 0.32 1.03 0.56 0.00 0.00 0.46 0.56 103.07 105.99 1iwp h GLY 61 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1iwp h GLY 61 CO -0.27 0.11 -0.12 -2.08 0.00 0.00 0.00 176.54 174.18 1iwp h VAL 62 N 0.65 0.75 -0.47 4.60 2.07 -0.24 -3.16 116.25 120.45 1iwp h VAL 62 Ca 0.33 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1iwp h VAL 62 Cb 0.28 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1iwp h VAL 62 CO -0.23 0.15 0.31 -0.33 0.02 0.00 0.00 177.57 177.50 1iwp h GLU 63 N -0.78 0.53 -0.17 1.57 5.08 -0.48 0.10 114.58 120.44 1iwp h GLU 63 Ca -0.03 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1iwp h GLU 63 Cb 0.51 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1iwp h GLU 63 CO 0.06 0.35 0.18 1.49 -1.00 0.00 0.00 179.01 180.09 1iwp h GLU 64 N 0.55 0.00 -0.47 2.33 4.81 0.15 0.16 114.58 122.10 1iwp h GLU 64 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1iwp h GLU 64 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1iwp h GLU 64 CO -0.05 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.62 1iwp n GLU 65 N -3.85 2.30 -0.42 1.92 4.71 0.35 -4.93 120.64 120.72 1iwp n GLU 65 Ca 0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 57.16 55.16 1iwp n GLU 65 Cb 0.30 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1iwp n GLU 65 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iwp n GLY 66 N 1.41 0.71 3.81 0.62 0.00 0.55 -4.99 105.19 107.30 1iwp n GLY 66 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1iwp n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwp s LEU 67 N 0.00 3.72 -0.07 0.99 1.02 -1.17 -5.00 118.68 118.17 1iwp s LEU 67 Ca 0.00 -0.33 -0.20 0.00 0.02 0.00 0.00 54.13 53.62 1iwp s LEU 67 Cb 0.00 -2.26 -0.05 0.00 0.02 0.00 0.00 46.19 43.90 1iwp s LEU 67 CO 0.00 -0.09 0.55 -1.00 0.02 0.00 0.00 176.35 175.83 1iwp s HIS 68 N -2.18 3.59 -0.39 0.29 3.76 -0.58 -3.05 115.29 116.73 1iwp s HIS 68 Ca 0.34 1.06 -0.18 0.00 -0.15 0.00 0.00 55.06 56.13 1iwp s HIS 68 Cb -0.07 -2.60 0.01 0.00 1.11 0.00 0.00 32.58 31.02 1iwp s HIS 68 CO 0.25 0.24 0.48 0.00 -0.85 0.00 0.00 174.74 174.86 1iwp s ALA 69 N 0.29 3.44 -0.28 -1.40 0.00 -1.26 -0.93 121.76 121.62 1iwp s ALA 69 Ca 0.30 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1iwp s ALA 69 Cb -0.17 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 1iwp s ALA 69 CO 0.14 -1.40 0.07 0.50 0.00 0.00 0.00 175.76 175.07 1iwp s ARG 70 N 2.31 3.23 -0.11 0.00 3.52 -0.58 -4.97 118.95 122.34 1iwp s ARG 70 Ca 0.16 -0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 54.86 1iwp s ARG 70 Cb -0.16 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1iwp s ARG 70 CO 0.14 -0.38 0.32 0.08 -0.81 0.00 0.00 175.30 174.65 1iwp s VAL 71 N 1.52 5.25 0.10 7.11 1.01 -1.26 0.13 120.40 134.26 1iwp s VAL 71 Ca 0.04 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1iwp s VAL 71 Cb -0.17 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1iwp s VAL 71 CO 0.02 0.46 -0.06 0.68 0.00 0.00 0.00 175.10 176.20 1iwp s VAL 72 N -0.09 0.67 -0.20 2.92 -7.23 0.12 -1.17 120.40 115.43 1iwp s VAL 72 Ca 0.19 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1iwp s VAL 72 Cb -0.14 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1iwp s VAL 72 CO 0.07 -0.88 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.37 1iwp s ARG 73 N -3.84 3.59 -0.18 4.82 3.52 0.16 -0.41 118.95 126.62 1iwp s ARG 73 Ca 0.12 -0.53 -0.20 0.00 -0.13 0.00 0.00 55.73 54.98 1iwp s ARG 73 Cb 0.05 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1iwp s ARG 73 CO -0.05 0.01 0.58 0.42 -0.81 0.00 0.00 175.30 175.46 1iwp s ILE 74 N 0.98 5.07 -0.06 4.11 -1.09 -0.40 -0.84 121.20 128.98 1iwp s ILE 74 Ca 0.01 1.11 0.11 0.00 -2.23 0.00 0.00 60.65 59.65 1iwp s ILE 74 Cb -0.14 -3.90 -0.16 0.00 -1.58 0.00 0.00 42.46 36.67 1iwp s ILE 74 CO 0.01 0.17 0.15 0.18 -1.23 0.00 0.00 174.94 174.23 1iwp n LEU 75 N 4.70 0.00 0.00 2.97 4.77 -1.26 -2.72 117.00 125.46 1iwp n LEU 75 Ca -0.03 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1iwp n LEU 75 Cb 0.50 0.13 0.43 0.00 -2.33 0.00 0.00 43.42 42.15 1iwp n LEU 75 CO 0.43 0.13 0.80 -2.11 -1.33 0.00 0.00 177.39 175.32 1iwp n ARG 76 N -2.15 0.08 -3.48 3.23 -4.01 -1.20 0.11 116.66 109.25 1iwp n ARG 76 Ca -0.10 0.15 -0.12 0.00 -1.04 0.00 0.00 57.85 56.74 1iwp n ARG 76 Cb 0.57 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.46 1iwp n ARG 76 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 1iwp s THR 77 N -2.88 0.02 -0.33 8.89 -1.32 -1.26 -4.52 115.64 114.23 1iwp s THR 77 Ca 0.12 -0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1iwp s THR 77 Cb 0.13 -1.03 0.01 0.00 -1.51 0.00 0.00 72.50 70.09 1iwp s THR 77 CO 0.34 -0.07 0.43 -1.54 -2.21 0.00 0.00 174.62 171.57 1iwp n SER 78 N -0.22 0.87 -4.69 8.08 3.41 -1.26 -4.48 113.62 115.32 1iwp n SER 78 Ca -0.17 -0.93 -0.42 0.00 -0.26 0.00 0.00 58.87 57.08 1iwp n SER 78 Cb 0.64 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 1iwp n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iwp s ASP 79 N -0.66 7.13 0.37 4.04 -1.08 -1.26 -4.93 116.67 120.28 1iwp s ASP 79 Ca 0.03 1.78 0.06 0.00 -0.52 0.00 0.00 52.55 53.90 1iwp s ASP 79 Cb 0.03 -2.56 0.71 0.00 -1.46 0.00 0.00 42.92 39.63 1iwp s ASP 79 CO 0.07 -0.50 1.93 1.62 0.52 0.00 0.00 175.17 178.82 1iwp h VAL 80 N 4.91 1.17 0.47 1.11 3.04 -1.94 -0.92 116.25 124.08 1iwp h VAL 80 Ca -0.36 -0.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.68 1iwp h VAL 80 Cb 1.18 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1iwp h VAL 80 CO 0.85 0.22 -0.23 0.28 -1.01 0.00 0.00 177.57 177.68 1iwp h SER 81 N 0.46 -0.53 -0.05 3.17 0.02 -1.92 -0.82 113.55 113.89 1iwp h SER 81 Ca 0.11 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1iwp h SER 81 Cb 0.24 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1iwp h SER 81 CO 0.00 -0.37 -0.15 -0.26 -1.14 0.00 0.00 176.83 174.92 1iwp h PHE 82 N -0.65 0.40 -0.11 3.45 -1.00 -1.76 0.86 116.94 118.13 1iwp h PHE 82 Ca -0.06 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.65 1iwp h PHE 82 Cb 0.49 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1iwp h PHE 82 CO -0.04 0.52 0.05 0.52 -1.61 0.00 0.00 178.31 177.75 1iwp h MET 83 N 0.35 0.16 -0.49 1.51 2.86 -0.97 0.40 114.93 118.74 1iwp h MET 83 Ca 0.07 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1iwp h MET 83 Cb 0.47 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1iwp h MET 83 CO 0.03 0.24 -0.09 0.00 1.06 0.00 0.00 176.91 178.15 1iwp h ALA 84 N 0.91 0.92 -0.40 6.32 0.00 -0.90 -0.34 119.26 125.77 1iwp h ALA 84 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1iwp h ALA 84 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1iwp h ALA 84 CO -0.00 0.63 0.22 2.35 0.00 0.00 0.00 179.25 182.44 1iwp h TRP 85 N 0.80 0.55 -0.83 0.00 7.01 -0.54 0.28 115.95 123.22 1iwp h TRP 85 Ca 0.13 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1iwp h TRP 85 Cb 0.60 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1iwp h TRP 85 CO 0.04 0.42 0.46 -0.44 -2.79 0.00 0.00 178.44 176.13 1iwp h ASP 86 N 0.51 1.04 -0.63 2.65 3.45 0.10 0.23 116.42 123.78 1iwp h ASP 86 Ca 0.14 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 1iwp h ASP 86 Cb 0.06 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 1iwp h ASP 86 CO -0.02 0.83 0.21 0.00 -1.57 0.00 0.00 179.24 178.69 1iwp h ALA 87 N 1.25 1.13 -0.40 3.45 0.00 -0.47 -0.74 119.26 123.47 1iwp h ALA 87 Ca 0.29 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1iwp h ALA 87 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1iwp h ALA 87 CO -0.05 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.70 1iwp h ALA 88 N 1.26 0.56 0.00 0.00 0.00 0.33 -1.09 119.26 120.32 1iwp h ALA 88 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1iwp h ALA 88 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iwp h ALA 88 CO -0.01 0.43 0.00 -0.91 0.00 0.00 0.00 179.25 178.76 1iwp h ASN 89 N 0.60 0.00 0.87 0.00 4.21 -0.63 -2.67 115.58 117.96 1iwp h ASN 89 Ca 0.10 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.41 1iwp h ASN 89 Cb 0.62 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.79 1iwp h ASN 89 CO 0.04 0.00 -1.21 -0.07 -1.29 0.00 0.00 177.43 174.90 1iwp h LEU 90 N 0.00 0.00 -9.33 1.61 3.38 -0.81 -3.46 115.31 106.70 1iwp h LEU 90 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1iwp h LEU 90 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1iwp h LEU 90 CO 0.00 0.78 0.62 -0.55 0.09 0.00 0.00 178.44 179.38 1iwp s SER 91 N -6.23 7.14 0.25 -0.43 0.15 -0.44 -2.98 113.70 111.15 1iwp s SER 91 Ca -0.01 1.75 0.17 0.00 0.70 0.00 0.00 55.95 58.56 1iwp s SER 91 Cb 0.09 -2.56 0.90 0.00 -1.71 0.00 0.00 66.02 62.74 1iwp s SER 91 CO 0.80 -0.50 1.52 0.61 1.20 0.00 0.00 173.24 176.87 1iwp n GLY 92 N 3.23 -0.80 0.16 9.45 0.00 -1.23 -0.09 105.19 115.92 1iwp n GLY 92 Ca 0.10 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1iwp n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iwp n SER 93 N -2.08 1.18 0.00 1.61 3.41 -1.20 -4.52 113.62 112.02 1iwp n SER 93 Ca -0.01 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1iwp n SER 93 Cb 0.03 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1iwp n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iwp n GLY 94 N 1.46 2.76 3.82 5.00 0.00 0.87 -4.80 105.19 114.29 1iwp n GLY 94 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1iwp n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iwp s ILE 95 N -2.62 5.47 0.17 -0.61 -1.09 -1.26 -1.00 121.20 120.25 1iwp s ILE 95 Ca 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1iwp s ILE 95 Cb 0.00 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1iwp s ILE 95 CO 0.00 0.55 0.05 -0.83 -1.23 0.00 0.00 174.94 173.48 1iwp s GLY 96 N -0.46 1.22 -0.04 6.18 0.00 -0.54 -3.51 107.32 110.18 1iwp s GLY 96 Ca 0.12 -1.59 0.03 0.00 0.00 0.00 0.00 44.72 43.28 1iwp s GLY 96 CO 0.02 -1.45 -0.10 -0.42 0.00 0.00 0.00 173.10 171.14 1iwp s ILE 97 N -3.89 0.90 -0.03 0.90 1.01 0.14 -0.18 121.20 120.05 1iwp s ILE 97 Ca 0.28 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1iwp s ILE 97 Cb 0.07 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 1iwp s ILE 97 CO 0.05 0.28 -0.18 -0.83 0.00 0.00 0.00 174.94 174.26 1iwp s GLY 98 N 0.33 0.94 -0.09 6.18 0.00 0.93 0.81 107.32 116.44 1iwp s GLY 98 Ca -0.06 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 1iwp s GLY 98 CO 0.01 -0.52 0.21 -1.50 0.00 0.00 0.00 173.10 171.30 1iwp s ILE 99 N -0.19 -0.03 0.60 0.90 2.07 -0.41 -0.67 121.20 123.48 1iwp s ILE 99 Ca 0.01 0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.34 1iwp s ILE 99 Cb -0.10 -0.32 0.04 0.00 0.13 0.00 0.00 42.46 42.21 1iwp s ILE 99 CO 0.01 0.05 0.87 -1.10 -1.91 0.00 0.00 174.94 172.85 1iwp s GLN 100 N 0.89 2.49 0.45 3.50 -0.21 -0.48 -0.42 119.66 125.88 1iwp s GLN 100 Ca -0.06 -0.49 0.13 0.00 0.02 0.00 0.00 55.36 54.95 1iwp s GLN 100 Cb -0.08 -2.35 1.00 0.00 1.00 0.00 0.00 33.01 32.57 1iwp s GLN 100 CO -0.05 -0.87 2.02 0.77 -2.12 0.00 0.00 175.29 175.03 1iwp h SER 101 N -0.18 0.11 0.89 5.90 0.02 -1.91 -1.85 113.55 116.53 1iwp h SER 101 Ca -0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1iwp h SER 101 Cb 1.30 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1iwp h SER 101 CO 0.56 0.21 0.00 2.29 -1.14 0.00 0.00 176.83 178.75 1iwp n LYS 102 N -4.38 0.18 0.00 3.45 2.85 -1.26 -3.59 118.16 115.41 1iwp n LYS 102 Ca -0.02 0.34 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 1iwp n LYS 102 Cb 0.19 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 32.77 1iwp n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1iwp n GLY 103 N 0.36 0.96 3.58 2.58 0.00 -0.69 -2.55 105.19 109.42 1iwp n GLY 103 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.53 1iwp n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwp n THR 104 N -0.02 0.02 -4.08 2.61 -1.04 -1.26 -4.65 114.28 105.86 1iwp n THR 104 Ca 0.00 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1iwp n THR 104 Cb 0.00 -0.74 -0.12 0.00 -1.82 0.00 0.00 70.33 67.65 1iwp n THR 104 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1iwp s THR 105 N 0.42 0.50 -0.05 12.58 2.01 -1.14 -1.38 115.64 128.59 1iwp s THR 105 Ca 0.85 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 1iwp s THR 105 Cb -0.98 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1iwp s THR 105 CO 0.48 -0.27 0.14 0.54 -0.69 0.00 0.00 174.62 174.81 1iwp s VAL 106 N -1.09 0.01 -0.35 3.82 0.11 0.16 -0.99 120.40 122.07 1iwp s VAL 106 Ca -0.07 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.80 1iwp s VAL 106 Cb -0.08 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 1iwp s VAL 106 CO 0.00 -0.04 0.18 -0.63 -3.33 0.00 0.00 175.10 171.28 1iwp s ILE 107 N -0.08 4.49 0.56 7.04 1.01 -0.38 -0.05 121.20 133.79 1iwp s ILE 107 Ca -0.02 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1iwp s ILE 107 Cb -0.02 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 39.07 1iwp s ILE 107 CO 0.00 -0.13 0.54 -2.28 0.00 0.00 0.00 174.94 173.07 1iwp s HIS 108 N 1.56 1.51 -0.18 3.97 2.46 0.75 -1.43 115.29 123.92 1iwp s HIS 108 Ca 0.02 -0.81 -0.11 0.00 0.47 0.00 0.00 55.06 54.63 1iwp s HIS 108 Cb -0.18 -2.01 0.06 0.00 -0.13 0.00 0.00 32.58 30.32 1iwp s HIS 108 CO 0.06 -0.72 0.44 -1.14 -2.47 0.00 0.00 174.74 170.91 1iwp s GLN 109 N -4.42 0.44 1.13 2.88 -0.44 -1.26 -1.47 119.66 116.53 1iwp s GLN 109 Ca 0.43 0.78 -0.18 0.00 -2.50 0.00 0.00 55.36 53.89 1iwp s GLN 109 Cb -0.03 0.05 0.13 0.00 -1.64 0.00 0.00 33.01 31.52 1iwp s GLN 109 CO 0.27 -0.14 0.10 0.54 0.50 0.00 0.00 175.29 176.57 1iwp n ARG 110 N 3.97 -1.89 0.00 1.67 1.74 -0.17 -1.96 116.66 120.01 1iwp n ARG 110 Ca -0.21 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 1iwp n ARG 110 Cb 0.56 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1iwp n ARG 110 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1iwp n ASP 111 N -1.94 0.00 -4.81 0.55 8.00 -1.26 -4.94 116.55 112.16 1iwp n ASP 111 Ca 0.02 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 1iwp n ASP 111 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1iwp n ASP 111 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1iwp s LEU 112 N 0.00 3.72 0.54 0.64 1.43 -0.83 -5.00 118.68 119.17 1iwp s LEU 112 Ca 0.00 1.83 -0.20 0.00 -1.03 0.00 0.00 54.13 54.72 1iwp s LEU 112 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 1iwp s LEU 112 CO 0.00 -0.84 1.17 -0.76 0.23 0.00 0.00 176.35 176.15 1iwp s LEU 113 N -3.85 3.80 0.22 1.79 1.43 -1.26 -4.92 118.68 115.88 1iwp s LEU 113 Ca 0.65 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.93 1iwp s LEU 113 Cb -0.15 -4.49 0.30 0.00 0.03 0.00 0.00 46.19 41.89 1iwp s LEU 113 CO 0.26 -1.27 1.63 -0.65 0.23 0.00 0.00 176.35 176.55 1iwp h PRO 114 N 1.33 0.03 -0.01 1.29 0.11 -1.94 -0.66 132.00 132.15 1iwp h PRO 114 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1iwp h PRO 114 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1iwp h PRO 114 CO 0.57 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.66 1iwp n LEU 115 N -5.41 0.28 0.00 2.35 4.77 -1.26 -4.55 117.00 113.18 1iwp n LEU 115 Ca 0.10 -0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1iwp n LEU 115 Cb 0.37 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1iwp n LEU 115 CO 0.04 0.05 0.22 -0.24 -1.33 0.00 0.00 177.39 176.13 1iwp n SER 116 N -0.71 1.02 -3.86 -1.43 2.88 -0.26 -5.11 113.62 106.16 1iwp n SER 116 Ca 0.19 -1.76 0.04 0.00 -1.33 0.00 0.00 58.87 56.01 1iwp n SER 116 Cb 0.13 -0.25 0.01 0.00 -0.75 0.00 0.00 64.21 63.35 1iwp n SER 116 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iwp s ASN 117 N -2.96 -0.00 -0.23 -3.46 4.22 -1.26 -4.84 114.94 106.42 1iwp s ASN 117 Ca 0.33 -0.06 -0.18 0.00 -2.14 0.00 0.00 52.86 50.80 1iwp s ASN 117 Cb -0.02 0.05 -0.16 0.00 1.28 0.00 0.00 41.25 42.40 1iwp s ASN 117 CO 0.21 -0.10 0.00 0.18 -2.04 0.00 0.00 177.10 175.35 1iwp n LEU 118 N -0.84 1.89 -3.96 3.54 4.77 -0.52 -4.97 117.00 116.91 1iwp n LEU 118 Ca 0.02 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 1iwp n LEU 118 Cb 0.60 -0.91 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 1iwp n LEU 118 CO 0.13 0.31 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.51 1iwp s GLU 119 N -2.41 0.30 0.06 3.23 2.02 -1.07 -5.01 118.70 115.82 1iwp s GLU 119 Ca -0.31 -0.39 0.05 0.00 0.02 0.00 0.00 54.97 54.34 1iwp s GLU 119 Cb 0.08 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 1iwp s GLU 119 CO 0.53 0.02 -0.15 -1.17 0.02 0.00 0.00 175.26 174.51 1iwp s LEU 120 N -0.81 2.22 -0.45 1.80 2.96 -1.26 -1.25 118.68 121.89 1iwp s LEU 120 Ca -0.06 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1iwp s LEU 120 Cb -0.06 -0.62 0.18 0.00 0.50 0.00 0.00 46.19 46.19 1iwp s LEU 120 CO -0.00 0.00 0.38 0.49 -1.32 0.00 0.00 176.35 175.90 1iwp n PHE 121 N 1.57 -0.29 1.98 5.38 3.72 -0.16 -4.98 117.46 124.69 1iwp n PHE 121 Ca -0.19 -3.46 0.13 0.00 -0.05 0.00 0.00 57.45 53.87 1iwp n PHE 121 Cb 0.54 0.10 0.77 0.00 -0.94 0.00 0.00 39.48 39.95 1iwp n PHE 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1iwp n SER 122 N 2.61 0.04 -3.34 4.37 3.41 -1.26 -2.91 113.62 116.54 1iwp n SER 122 Ca 0.28 -1.19 -0.26 0.00 -0.26 0.00 0.00 58.87 57.44 1iwp n SER 122 Cb 0.46 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 1iwp n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iwp n GLN 123 N -0.88 1.42 -0.37 4.33 6.02 -1.26 -5.00 117.38 121.64 1iwp n GLN 123 Ca 0.20 -3.84 0.03 0.00 -0.01 0.00 0.00 57.00 53.37 1iwp n GLN 123 Cb 0.10 -1.71 0.09 0.00 1.02 0.00 0.00 30.24 29.74 1iwp n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iwp n ALA 124 N 1.36 0.07 0.12 -1.58 0.00 -1.26 -0.58 120.51 118.65 1iwp n ALA 124 Ca 0.25 1.05 0.17 0.00 0.00 0.00 0.00 53.44 54.91 1iwp n ALA 124 Cb 0.47 -0.56 0.54 0.00 0.00 0.00 0.00 19.45 19.89 1iwp n ALA 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1iwp h PRO 125 N 0.00 0.00 -0.00 0.00 0.11 -1.95 0.40 132.00 130.57 1iwp h PRO 125 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1iwp h PRO 125 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1iwp h PRO 125 CO -1.01 0.00 -0.43 1.28 -0.21 0.00 0.00 178.00 177.63 1iwp n LEU 126 N -3.14 0.71 -4.71 2.35 4.77 0.25 -4.91 117.00 112.32 1iwp n LEU 126 Ca 0.08 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 1iwp n LEU 126 Cb 0.88 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1iwp n LEU 126 CO 0.17 0.15 0.79 -0.76 -1.33 0.00 0.00 177.39 176.41 1iwp s LEU 127 N -2.82 4.38 0.33 2.23 1.43 0.14 -5.05 118.68 119.33 1iwp s LEU 127 Ca 0.16 1.86 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 1iwp s LEU 127 Cb 0.18 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1iwp s LEU 127 CO 0.64 -0.35 0.24 0.42 0.23 0.00 0.00 176.35 177.52 1iwp s THR 128 N 0.93 3.46 0.49 5.49 -4.23 -1.26 -5.00 115.64 115.53 1iwp s THR 128 Ca 0.55 -1.47 0.14 0.00 -1.18 0.00 0.00 61.69 59.73 1iwp s THR 128 Cb -0.26 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.73 1iwp s THR 128 CO 0.29 -0.19 2.11 -0.07 -0.54 0.00 0.00 174.62 176.22 1iwp h LEU 129 N 1.36 0.13 -0.28 4.79 3.38 -1.96 -1.42 115.31 121.31 1iwp h LEU 129 Ca -0.45 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1iwp h LEU 129 Cb 1.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1iwp h LEU 129 CO 0.60 0.09 0.04 -0.33 0.09 0.00 0.00 178.44 178.92 1iwp h GLU 130 N 0.15 0.46 -0.98 1.13 3.07 -1.98 -2.17 114.58 114.27 1iwp h GLU 130 Ca 0.07 -0.13 0.06 0.00 -0.50 0.00 0.00 59.36 58.86 1iwp h GLU 130 Cb 0.08 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 27.87 1iwp h GLU 130 CO -0.01 0.59 0.63 1.15 -1.40 0.00 0.00 179.01 179.96 1iwp h THR 131 N 0.27 1.09 -0.26 1.13 2.02 -1.66 -0.06 112.91 115.43 1iwp h THR 131 Ca 0.08 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1iwp h THR 131 Cb 0.35 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1iwp h THR 131 CO 0.01 0.21 -0.01 1.88 0.37 0.00 0.00 175.52 177.98 1iwp h TYR 132 N 1.15 0.40 -0.52 3.16 0.05 -1.17 0.35 116.97 120.38 1iwp h TYR 132 Ca 0.42 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.11 1iwp h TYR 132 Cb 0.15 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1iwp h TYR 132 CO -0.01 0.42 0.11 -0.09 -1.05 0.00 0.00 178.16 177.54 1iwp h ARG 133 N 0.39 0.85 0.00 4.88 9.65 -0.39 -2.21 114.38 127.55 1iwp h ARG 133 Ca 0.09 -0.21 -0.08 0.00 -1.10 0.00 0.00 59.98 58.67 1iwp h ARG 133 Cb 0.27 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1iwp h ARG 133 CO 0.01 0.81 -0.39 1.96 2.80 0.00 0.00 179.97 185.16 1iwp h GLN 134 N 0.74 0.00 -0.47 0.20 1.08 -0.49 -2.32 115.11 113.84 1iwp h GLN 134 Ca 0.16 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.24 1iwp h GLN 134 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1iwp h GLN 134 CO 0.00 0.39 -0.20 0.82 -0.95 0.00 0.00 178.83 178.90 1iwp h ILE 135 N 0.00 1.27 -0.49 2.54 2.04 -0.53 -0.60 117.51 121.74 1iwp h ILE 135 Ca -0.00 -1.36 -0.12 0.00 1.00 0.00 0.00 64.86 64.37 1iwp h ILE 135 Cb 0.89 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1iwp h ILE 135 CO 0.05 0.47 -0.19 1.23 0.00 0.00 0.00 178.15 179.71 1iwp h GLY 136 N 0.82 1.05 0.87 5.37 0.00 -1.23 -1.05 103.07 108.91 1iwp h GLY 136 Ca 0.11 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1iwp h GLY 136 CO 0.06 0.82 -0.12 0.50 0.00 0.00 0.00 176.54 177.80 1iwp h LYS 137 N 0.85 -0.34 -0.60 4.80 1.57 -1.25 -1.10 116.57 120.50 1iwp h LYS 137 Ca 0.12 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1iwp h LYS 137 Cb 0.75 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1iwp h LYS 137 CO 0.06 -0.13 0.38 -0.91 -0.57 0.00 0.00 179.45 178.28 1iwp h ASN 138 N -0.48 0.64 -0.29 0.86 4.21 -1.11 0.14 115.58 119.55 1iwp h ASN 138 Ca -0.04 -0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.52 1iwp h ASN 138 Cb 0.36 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.37 1iwp h ASN 138 CO 0.06 0.45 0.02 0.00 -1.29 0.00 0.00 177.43 176.67 1iwp h ALA 139 N 1.24 0.28 -0.97 -0.83 0.00 -1.07 0.27 119.26 118.19 1iwp h ALA 139 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1iwp h ALA 139 Cb -0.03 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1iwp h ALA 139 CO -0.08 -0.39 0.63 0.00 0.00 0.00 0.00 179.25 179.41 1iwp h ALA 140 N 1.24 1.29 -0.62 0.00 0.00 -0.61 0.24 119.26 120.79 1iwp h ALA 140 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1iwp h ALA 140 Cb 0.17 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1iwp h ALA 140 CO -0.22 0.65 0.31 0.00 0.00 0.00 0.00 179.25 179.99 1iwp h ARG 141 N 1.32 0.88 -0.23 0.00 2.47 0.79 0.13 114.38 119.73 1iwp h ARG 141 Ca 0.35 -0.11 -0.18 0.00 -1.26 0.00 0.00 59.98 58.79 1iwp h ARG 141 Cb -0.13 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.02 1iwp h ARG 141 CO -0.07 0.67 -0.56 1.88 0.56 0.00 0.00 179.97 182.45 1iwp h TYR 142 N 0.88 0.91 -0.60 3.04 0.05 1.00 0.16 116.97 122.40 1iwp h TYR 142 Ca 0.22 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1iwp h TYR 142 Cb 0.08 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1iwp h TYR 142 CO 0.01 1.11 0.30 0.00 -1.05 0.00 0.00 178.16 178.53 1iwp h ALA 143 N 0.82 1.40 -0.02 3.88 0.00 0.49 0.29 119.26 126.13 1iwp h ALA 143 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1iwp h ALA 143 Cb 1.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1iwp h ALA 143 CO 0.12 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.38 1iwp n ARG 144 N -4.37 1.10 -2.97 0.00 1.74 0.33 -4.83 116.66 107.66 1iwp n ARG 144 Ca 0.06 -0.09 -0.20 0.00 -0.77 0.00 0.00 57.85 56.84 1iwp n ARG 144 Cb 0.12 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1iwp n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1iwp n LYS 145 N -0.11 -3.44 -3.09 5.56 5.02 0.10 -4.97 118.16 117.22 1iwp n LYS 145 Ca 0.01 0.67 -0.20 0.00 -2.02 0.00 0.00 58.31 56.77 1iwp n LYS 145 Cb 0.20 -5.40 0.06 0.00 -0.02 0.00 0.00 35.03 29.88 1iwp n LYS 145 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iwp s GLU 146 N -5.62 2.26 -0.62 1.97 2.02 0.54 -5.00 118.70 114.26 1iwp s GLU 146 Ca 0.25 -1.70 0.06 0.00 0.02 0.00 0.00 54.97 53.60 1iwp s GLU 146 Cb -0.12 -2.60 0.26 0.00 0.10 0.00 0.00 34.13 31.77 1iwp s GLU 146 CO 0.30 -0.89 0.76 0.45 0.02 0.00 0.00 175.26 175.90 1iwp n SER 147 N -2.25 3.67 -4.75 -0.19 2.88 -1.26 -4.35 113.62 107.37 1iwp n SER 147 Ca 0.15 -3.44 -0.38 0.00 -1.33 0.00 0.00 58.87 53.87 1iwp n SER 147 Cb 0.62 -0.65 0.04 0.00 -0.75 0.00 0.00 64.21 63.47 1iwp n SER 147 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1iwp s PRO 148 N -2.55 3.14 0.12 -1.46 0.04 -1.26 -4.89 135.00 128.15 1iwp s PRO 148 Ca 0.41 2.24 -0.31 0.00 0.04 0.00 0.00 61.00 63.37 1iwp s PRO 148 Cb 0.17 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 1iwp s PRO 148 CO -0.03 -1.19 1.69 -1.54 0.04 0.00 0.00 177.00 175.98 1iwp s SER 149 N -0.95 6.52 0.55 6.66 1.04 -1.26 -4.90 113.70 121.36 1iwp s SER 149 Ca 0.71 2.64 -0.20 0.00 0.48 0.00 0.00 55.95 59.59 1iwp s SER 149 Cb -0.40 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.07 1iwp s SER 149 CO 0.48 -0.92 0.92 -2.65 0.98 0.00 0.00 173.24 172.05 1iwp n PRO 150 N 5.07 0.99 -1.80 4.02 -0.02 -1.26 -4.85 135.00 137.15 1iwp n PRO 150 Ca 0.16 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1iwp n PRO 150 Cb 0.39 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1iwp n PRO 150 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iwp s VAL 151 N -1.48 2.47 -0.21 -1.45 1.01 -1.26 -4.83 120.40 114.64 1iwp s VAL 151 Ca 0.71 0.18 -0.38 0.00 0.00 0.00 0.00 61.98 62.50 1iwp s VAL 151 Cb -0.46 -3.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.66 1iwp s VAL 151 CO 0.51 0.01 1.80 -2.65 0.00 0.00 0.00 175.10 174.77 1iwp n PRO 152 N 4.79 1.52 -1.92 2.72 -0.02 -1.26 -4.90 135.00 135.93 1iwp n PRO 152 Ca 0.16 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 1iwp n PRO 152 Cb 0.38 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1iwp n PRO 152 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iwp s VAL 153 N 3.77 2.34 0.12 -1.45 1.01 -1.26 -5.03 120.40 119.90 1iwp s VAL 153 Ca 0.97 0.29 0.10 0.00 0.00 0.00 0.00 61.98 63.34 1iwp s VAL 153 Cb -0.94 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1iwp s VAL 153 CO 0.61 0.03 -0.25 0.68 0.00 0.00 0.00 175.10 176.17 1iwp s VAL 154 N -1.26 2.11 -0.17 2.92 -7.23 -1.26 -5.14 120.40 110.37 1iwp s VAL 154 Ca 0.61 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.96 1iwp s VAL 154 Cb -0.40 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 34.71 1iwp s VAL 154 CO 0.51 0.05 0.42 0.21 -0.31 0.00 0.00 175.10 175.98 1iwp s ASN 155 N -2.01 -0.48 -0.16 4.85 2.47 -1.26 -4.85 114.94 113.50 1iwp s ASN 155 Ca 0.12 0.88 -0.03 0.00 0.42 0.00 0.00 52.86 54.25 1iwp s ASN 155 Cb -0.10 0.83 0.05 0.00 -1.45 0.00 0.00 41.25 40.58 1iwp s ASN 155 CO 0.05 -0.17 0.03 -0.62 -3.72 0.00 0.00 177.10 172.68 1iwp s ASP 156 N 0.76 2.49 0.66 -4.21 -1.08 -1.26 -5.02 116.67 109.01 1iwp s ASP 156 Ca -0.04 -0.60 0.31 0.00 -0.52 0.00 0.00 52.55 51.70 1iwp s ASP 156 Cb -0.05 -0.52 1.67 0.00 -1.46 0.00 0.00 42.92 42.56 1iwp s ASP 156 CO -0.06 -0.28 1.95 0.06 0.52 0.00 0.00 175.17 177.37 1iwp h GLN 157 N 8.28 0.00 -0.03 4.34 3.07 -2.05 -0.67 115.11 128.05 1iwp h GLN 157 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.57 1iwp h GLN 157 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 1iwp h GLN 157 CO 0.31 0.00 0.00 -1.33 0.09 0.00 0.00 178.83 177.90 1iwp n MET 158 N -3.00 2.21 -0.10 0.06 2.81 -1.26 -4.45 117.12 113.40 1iwp n MET 158 Ca -0.01 -1.75 -0.10 0.00 -1.81 0.00 0.00 57.70 54.03 1iwp n MET 158 Cb 0.38 -1.46 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 1iwp n MET 158 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1iwp h VAL 159 N 4.25 1.17 -0.07 2.03 2.07 -1.54 -0.64 116.25 123.52 1iwp h VAL 159 Ca 0.00 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1iwp h VAL 159 Cb 0.90 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1iwp h VAL 159 CO 0.00 0.17 0.03 -0.09 0.02 0.00 0.00 177.57 177.71 1iwp h ARG 160 N 0.35 0.09 -0.93 1.57 2.43 -1.78 1.33 114.38 117.45 1iwp h ARG 160 Ca 0.10 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1iwp h ARG 160 Cb 0.15 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 1iwp h ARG 160 CO -0.01 0.16 0.60 -1.35 -1.51 0.00 0.00 179.97 177.85 1iwp h PRO 161 N 0.00 0.99 0.22 0.20 0.11 -1.78 0.95 132.00 132.69 1iwp h PRO 161 Ca 0.02 -0.06 -0.33 0.00 0.11 0.00 0.00 66.00 65.74 1iwp h PRO 161 Cb 0.09 -0.22 0.03 0.00 0.11 0.00 0.00 31.00 31.01 1iwp h PRO 161 CO -0.00 0.65 -1.50 -0.22 -0.21 0.00 0.00 178.00 176.72 1iwp h LYS 162 N 1.02 0.46 0.00 1.05 3.64 -0.77 -3.43 116.57 118.55 1iwp h LYS 162 Ca 0.41 -0.79 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1iwp h LYS 162 Cb 0.26 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1iwp h LYS 162 CO -0.17 1.37 -0.68 1.19 -2.27 0.00 0.00 179.45 178.90 1iwp n PHE 163 N -3.65 0.00 -0.17 1.91 3.72 0.45 -4.79 117.46 114.92 1iwp n PHE 163 Ca -0.17 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.20 1iwp n PHE 163 Cb 1.09 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.65 1iwp n PHE 163 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1iwp h MET 164 N 0.00 -0.06 -0.85 -1.08 4.05 -0.88 0.44 114.93 116.55 1iwp h MET 164 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1iwp h MET 164 Cb 0.04 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 1iwp h MET 164 CO 0.00 -0.04 0.54 0.00 0.23 0.00 0.00 176.91 177.65 1iwp h ALA 165 N 1.38 1.35 -0.23 0.39 0.00 -1.89 -0.29 119.26 119.98 1iwp h ALA 165 Ca 0.25 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1iwp h ALA 165 Cb 0.45 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1iwp h ALA 165 CO -0.58 0.58 -0.41 -0.22 0.00 0.00 0.00 179.25 178.62 1iwp h LYS 166 N 1.17 0.54 -0.49 0.00 3.64 -1.40 -1.94 116.57 118.08 1iwp h LYS 166 Ca 0.31 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1iwp h LYS 166 Cb -0.10 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1iwp h LYS 166 CO -0.06 0.86 0.23 0.00 -2.27 0.00 0.00 179.45 178.21 1iwp h ALA 167 N 1.11 0.63 -0.43 5.00 0.00 0.77 0.44 119.26 126.78 1iwp h ALA 167 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iwp h ALA 167 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1iwp h ALA 167 CO 0.08 0.20 0.26 0.00 0.00 0.00 0.00 179.25 179.79 1iwp h ALA 168 N 1.07 0.55 -0.70 0.00 0.00 -0.87 0.24 119.26 119.56 1iwp h ALA 168 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1iwp h ALA 168 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1iwp h ALA 168 CO -0.02 0.03 0.40 -0.07 0.00 0.00 0.00 179.25 179.59 1iwp h LEU 169 N 0.57 0.85 -0.71 0.00 3.38 -0.97 0.44 115.31 118.87 1iwp h LEU 169 Ca 0.15 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1iwp h LEU 169 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1iwp h LEU 169 CO -0.03 0.68 0.25 -0.26 0.09 0.00 0.00 178.44 179.17 1iwp h PHE 170 N 0.95 1.12 -0.04 1.13 0.05 -0.38 -2.14 116.94 117.64 1iwp h PHE 170 Ca 0.25 -0.10 -0.12 0.00 3.82 0.00 0.00 57.97 61.81 1iwp h PHE 170 Cb 0.00 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 37.61 1iwp h PHE 170 CO -0.01 0.88 -0.55 1.25 -0.18 0.00 0.00 178.31 179.71 1iwp h HIS 171 N 1.04 0.15 -0.08 -0.55 2.76 0.09 -1.58 115.15 116.98 1iwp h HIS 171 Ca 0.23 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1iwp h HIS 171 Cb 0.27 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 1iwp h HIS 171 CO 0.02 0.64 0.05 0.82 -1.30 0.00 0.00 177.93 178.16 1iwp h ILE 172 N 0.09 1.06 0.57 6.26 1.08 0.26 0.16 117.51 127.01 1iwp h ILE 172 Ca -0.00 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1iwp h ILE 172 Cb 1.00 1.04 0.01 0.00 -3.07 0.00 0.00 36.82 35.79 1iwp h ILE 172 CO 0.08 0.06 -0.28 0.50 -0.69 0.00 0.00 178.15 177.82 1iwp h LYS 173 N 0.06 -0.74 -0.69 2.37 3.64 -1.24 -2.02 116.57 117.95 1iwp h LYS 173 Ca 0.03 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 1iwp h LYS 173 Cb 0.05 0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1iwp h LYS 173 CO -0.01 -0.46 0.24 1.49 -2.27 0.00 0.00 179.45 178.44 1iwp h GLU 174 N -0.85 0.37 0.00 1.90 4.81 -1.23 0.15 114.58 119.73 1iwp h GLU 174 Ca -0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1iwp h GLU 174 Cb 0.62 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1iwp h GLU 174 CO 0.13 0.25 -0.05 1.15 -0.73 0.00 0.00 179.01 179.76 1iwp h THR 175 N 0.38 0.44 0.00 0.32 2.02 -0.51 -1.33 112.91 114.23 1iwp h THR 175 Ca 0.37 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1iwp h THR 175 Cb 0.54 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1iwp h THR 175 CO -0.39 0.05 -0.01 0.11 0.37 0.00 0.00 175.52 175.65 1iwp h LYS 176 N 0.00 0.00 -0.72 6.66 1.79 0.06 -1.74 116.57 122.63 1iwp h LYS 176 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1iwp h LYS 176 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1iwp h LYS 176 CO 0.01 0.01 0.00 0.72 -1.08 0.00 0.00 179.45 179.11 1iwp n HIS 177 N -3.55 0.97 -2.34 -1.35 8.25 -0.50 -4.92 115.22 111.78 1iwp n HIS 177 Ca -0.03 -0.48 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 1iwp n HIS 177 Cb 0.10 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1iwp n HIS 177 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iwp s VAL 178 N -1.06 3.77 -0.35 1.59 1.01 -0.66 -4.87 120.40 119.82 1iwp s VAL 178 Ca 0.48 1.28 -0.03 0.00 0.00 0.00 0.00 61.98 63.71 1iwp s VAL 178 Cb 0.25 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.88 1iwp s VAL 178 CO 0.32 0.11 0.11 -0.69 0.00 0.00 0.00 175.10 174.95 1iwp s VAL 179 N 0.99 3.31 -0.46 2.92 1.01 0.29 -4.99 120.40 123.47 1iwp s VAL 179 Ca 0.60 -1.59 -0.42 0.00 0.00 0.00 0.00 61.98 60.57 1iwp s VAL 179 Cb -0.32 -3.04 -0.18 0.00 0.00 0.00 0.00 36.38 32.84 1iwp s VAL 179 CO 0.30 -0.36 1.68 1.67 0.00 0.00 0.00 175.10 178.39 1iwp n GLN 180 N 4.66 0.00 -0.66 2.72 -0.06 -1.26 0.17 117.38 122.95 1iwp n GLN 180 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 1iwp n GLN 180 Cb 0.43 -1.37 0.00 0.00 -4.06 0.00 0.00 30.24 25.24 1iwp n GLN 180 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1iwp n ASP 181 N 5.06 0.00 -4.70 1.69 10.43 -1.26 -4.96 116.55 122.81 1iwp n ASP 181 Ca 0.38 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 57.30 1iwp n ASP 181 Cb -0.05 -1.40 -0.02 0.00 1.84 0.00 0.00 41.12 41.49 1iwp n ASP 181 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iwp n ALA 182 N 0.97 1.60 -1.49 2.24 0.00 0.13 -4.89 120.51 119.06 1iwp n ALA 182 Ca 0.00 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 1iwp n ALA 182 Cb 0.00 -2.33 0.05 0.00 0.00 0.00 0.00 19.45 17.17 1iwp n ALA 182 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1iwp s GLU 183 N -0.66 2.80 0.86 0.00 2.02 -1.26 -3.20 118.70 119.26 1iwp s GLU 183 Ca 0.65 1.24 -0.11 0.00 0.02 0.00 0.00 54.97 56.77 1iwp s GLU 183 Cb -0.59 -1.96 0.11 0.00 0.10 0.00 0.00 34.13 31.79 1iwp s GLU 183 CO 0.51 -1.23 1.15 -2.14 0.02 0.00 0.00 175.26 173.57 1iwp s PRO 184 N -4.41 1.41 -0.09 0.39 0.02 -1.26 -4.53 135.00 126.53 1iwp s PRO 184 Ca 0.64 1.52 0.03 0.00 0.02 0.00 0.00 61.00 63.21 1iwp s PRO 184 Cb -0.18 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.58 1iwp s PRO 184 CO 0.46 -2.34 -0.19 0.08 -0.33 0.00 0.00 177.00 174.68 1iwp s VAL 185 N -2.59 1.65 0.33 3.83 1.01 -0.02 -1.54 120.40 123.08 1iwp s VAL 185 Ca 0.67 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1iwp s VAL 185 Cb -0.23 -1.45 -0.11 0.00 0.00 0.00 0.00 36.38 34.59 1iwp s VAL 185 CO 0.56 0.47 1.45 -0.89 0.00 0.00 0.00 175.10 176.68 1iwp s THR 186 N 0.52 2.31 -0.29 3.92 2.01 0.94 0.37 115.64 125.42 1iwp s THR 186 Ca -0.16 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.15 1iwp s THR 186 Cb -0.17 -3.19 0.06 0.00 0.01 0.00 0.00 72.50 69.21 1iwp s THR 186 CO 0.06 0.06 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.25 1iwp s LEU 187 N -1.53 3.81 0.24 4.42 1.43 -0.31 -0.04 118.68 126.70 1iwp s LEU 187 Ca 0.54 -1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 51.90 1iwp s LEU 187 Cb -0.44 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 1iwp s LEU 187 CO 0.55 -0.25 1.12 -1.00 0.23 0.00 0.00 176.35 177.00 1iwp s HIS 188 N 1.14 3.55 -0.66 0.29 3.76 0.23 -4.47 115.29 119.14 1iwp s HIS 188 Ca -0.05 1.63 -0.17 0.00 -0.15 0.00 0.00 55.06 56.32 1iwp s HIS 188 Cb -0.20 -3.31 0.14 0.00 1.11 0.00 0.00 32.58 30.32 1iwp s HIS 188 CO -0.04 -0.68 0.68 0.42 -0.85 0.00 0.00 174.74 174.28 1iwp s ILE 189 N -0.77 5.13 0.04 0.60 -1.09 -1.26 -0.95 121.20 122.90 1iwp s ILE 189 Ca 0.47 -1.56 -0.25 0.00 -2.23 0.00 0.00 60.65 57.08 1iwp s ILE 189 Cb -0.32 -4.46 -0.05 0.00 -1.58 0.00 0.00 42.46 36.06 1iwp s ILE 189 CO 0.39 -1.05 0.76 -1.81 -1.23 0.00 0.00 174.94 172.00 1iwp s ASP 190 N 3.28 7.19 -0.35 3.58 -0.00 0.60 -4.91 116.67 126.06 1iwp s ASP 190 Ca 0.12 1.43 -0.15 0.00 -0.00 0.00 0.00 52.55 53.94 1iwp s ASP 190 Cb -0.21 -2.46 -0.01 0.00 -0.00 0.00 0.00 42.92 40.24 1iwp s ASP 190 CO 0.00 0.01 0.36 -0.22 -0.00 0.00 0.00 175.17 175.32 1iwp s LEU 191 N -0.01 4.52 0.14 1.23 2.96 -1.26 -0.46 118.68 125.80 1iwp s LEU 191 Ca 0.38 -0.32 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 1iwp s LEU 191 Cb -0.20 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1iwp s LEU 191 CO 0.23 -0.36 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.01 1iwp s VAL 192 N 1.99 2.72 0.37 1.68 1.01 0.33 -4.93 120.40 123.57 1iwp s VAL 192 Ca 0.11 -1.67 -0.28 0.00 0.00 0.00 0.00 61.98 60.14 1iwp s VAL 192 Cb -0.17 -2.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 1iwp s VAL 192 CO 0.12 0.02 1.40 -0.13 0.00 0.00 0.00 175.10 176.51 1iwp s ARG 193 N -2.34 4.15 0.00 2.72 1.81 -1.26 0.19 118.95 124.21 1iwp s ARG 193 Ca 0.19 2.39 0.25 0.00 -1.72 0.00 0.00 55.73 56.84 1iwp s ARG 193 Cb -0.10 -2.96 1.48 0.00 -0.45 0.00 0.00 34.95 32.92 1iwp s ARG 193 CO 0.10 -0.43 1.84 0.39 -0.68 0.00 0.00 175.30 176.52