#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iwi s ARG 33 N 0.00 2.37 0.81 -0.72 3.00 -0.24 -4.90 118.95 119.28 2iwi s ARG 33 Ca 0.00 -0.93 -0.11 0.00 -1.00 0.00 0.00 55.73 53.68 2iwi s ARG 33 Cb 0.00 -2.55 0.08 0.00 0.00 0.00 0.00 34.95 32.48 2iwi s ARG 33 CO 0.00 -0.38 1.09 -0.51 0.00 0.00 0.00 175.30 175.50 2iwi s LEU 34 N 1.30 2.64 0.00 -0.88 1.02 -1.26 -0.79 118.68 120.71 2iwi s LEU 34 Ca -0.01 1.48 0.00 0.00 0.02 0.00 0.00 54.13 55.62 2iwi s LEU 34 Cb -0.16 -4.09 0.00 0.00 0.02 0.00 0.00 46.19 41.96 2iwi s LEU 34 CO -0.09 -2.10 0.00 0.61 0.02 0.00 0.00 176.35 174.79 2iwi n GLY 35 N -1.66 5.10 3.79 -3.19 0.00 0.26 -4.84 105.19 104.65 2iwi n GLY 35 Ca 0.07 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2iwi n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iwi s PRO 36 N 4.66 3.83 0.74 1.61 0.04 -1.26 -4.64 135.00 139.98 2iwi s PRO 36 Ca 0.00 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 2iwi s PRO 36 Cb 0.00 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.44 2iwi s PRO 36 CO 0.00 -0.41 1.16 -1.17 0.04 0.00 0.00 177.00 176.61 2iwi s LEU 37 N -3.40 3.25 -0.04 -3.56 0.20 -1.26 -0.68 118.68 113.19 2iwi s LEU 37 Ca 0.66 2.17 -0.03 0.00 0.69 0.00 0.00 54.13 57.63 2iwi s LEU 37 Cb -0.17 -4.57 -0.02 0.00 -0.43 0.00 0.00 46.19 41.00 2iwi s LEU 37 CO 0.21 -2.16 -0.07 0.18 -0.29 0.00 0.00 176.35 174.22 2iwi n LEU 38 N -2.91 0.49 -3.56 -0.68 4.77 -0.52 -4.70 117.00 109.90 2iwi n LEU 38 Ca 0.12 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 2iwi n LEU 38 Cb 0.51 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2iwi n LEU 38 CO 0.48 0.02 0.32 -0.83 -1.33 0.00 0.00 177.39 176.06 2iwi s GLY 39 N -4.99 -0.47 0.31 -0.72 0.00 -1.19 -5.06 107.32 95.20 2iwi s GLY 39 Ca -0.07 0.79 0.10 0.00 0.00 0.00 0.00 44.72 45.54 2iwi s GLY 39 CO 0.09 0.48 -0.13 -1.59 0.00 0.00 0.00 173.10 171.96 2iwi s LYS 40 N -2.09 1.71 0.00 2.90 0.00 -1.26 -2.19 119.74 118.81 2iwi s LYS 40 Ca -0.07 -1.84 0.00 0.00 0.00 0.00 0.00 55.97 54.05 2iwi s LYS 40 Cb -0.01 -1.62 0.00 0.00 0.00 0.00 0.00 37.83 36.20 2iwi s LYS 40 CO 0.01 0.19 0.00 0.41 0.00 0.00 0.00 175.35 175.96 2iwi n GLY 41 N -0.69 -0.42 0.26 0.59 0.00 -0.81 -4.93 105.19 99.19 2iwi n GLY 41 Ca -0.05 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.66 2iwi n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2iwi h GLY 42 N 0.00 0.00 0.66 -0.02 0.00 -2.00 -1.07 103.07 100.63 2iwi h GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2iwi h GLY 42 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 2iwi n PHE 43 N -3.86 0.00 -0.33 5.60 1.16 -1.26 -4.98 117.46 113.79 2iwi n PHE 43 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 2iwi n PHE 43 Cb 0.21 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.08 2iwi n PHE 43 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2iwi n GLY 44 N -0.23 0.60 2.85 4.97 0.00 -0.41 -4.89 105.19 108.08 2iwi n GLY 44 Ca 0.06 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 2iwi n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iwi s THR 45 N 0.00 -0.27 -0.34 2.61 2.01 -0.33 -1.92 115.64 117.39 2iwi s THR 45 Ca 0.00 0.34 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 2iwi s THR 45 Cb 0.00 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.21 2iwi s THR 45 CO 0.00 0.14 0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2iwi s VAL 46 N 2.30 4.54 0.04 3.82 1.01 -0.93 0.15 120.40 131.33 2iwi s VAL 46 Ca 0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2iwi s VAL 46 Cb -0.12 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2iwi s VAL 46 CO -0.06 -0.07 0.29 -0.36 0.00 0.00 0.00 175.10 174.90 2iwi s PHE 47 N 1.58 3.56 0.64 5.22 0.40 0.13 -1.43 117.98 128.08 2iwi s PHE 47 Ca 0.03 0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 56.80 2iwi s PHE 47 Cb -0.18 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 2iwi s PHE 47 CO 0.06 0.57 1.05 0.00 0.70 0.00 0.00 175.22 177.61 2iwi s ALA 48 N -1.38 2.76 -0.00 5.36 0.00 0.15 -0.30 121.76 128.34 2iwi s ALA 48 Ca 0.31 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 2iwi s ALA 48 Cb -0.13 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.86 2iwi s ALA 48 CO 0.19 -0.98 0.75 0.41 0.00 0.00 0.00 175.76 176.13 2iwi n GLY 49 N -1.71 0.43 3.19 0.00 0.00 -0.68 0.91 105.19 107.33 2iwi n GLY 49 Ca 0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 2iwi n GLY 49 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2iwi s HIS 50 N -2.57 0.13 -0.17 1.61 -3.43 0.03 -1.02 115.29 109.88 2iwi s HIS 50 Ca 0.18 -0.50 -0.23 0.00 -0.80 0.00 0.00 55.06 53.70 2iwi s HIS 50 Cb -0.01 -0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.06 2iwi s HIS 50 CO -0.00 -0.50 0.73 0.50 -2.00 0.00 0.00 174.74 173.47 2iwi s ARG 51 N -3.43 4.28 0.18 -0.38 3.52 -0.11 -1.07 118.95 121.94 2iwi s ARG 51 Ca 0.02 0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 56.31 2iwi s ARG 51 Cb 0.03 -3.56 0.15 0.00 -1.56 0.00 0.00 34.95 30.01 2iwi s ARG 51 CO -0.09 -0.24 1.74 1.37 -0.81 0.00 0.00 175.30 177.27 2iwi h LEU 52 N 8.06 0.09 0.69 -0.88 -0.00 -1.90 -0.07 115.31 121.30 2iwi h LEU 52 Ca -0.32 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.59 2iwi h LEU 52 Cb 1.14 0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2iwi h LEU 52 CO 0.80 0.08 -0.33 0.71 -0.00 0.00 0.00 178.44 179.70 2iwi h THR 53 N 0.28 0.22 -0.17 0.15 1.35 -1.99 -3.31 112.91 109.44 2iwi h THR 53 Ca 0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2iwi h THR 53 Cb 0.25 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 2iwi h THR 53 CO -0.26 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 174.13 2iwi n ASP 54 N -5.43 3.15 -2.37 5.36 5.68 -1.23 -4.97 116.55 116.73 2iwi n ASP 54 Ca -0.13 -1.99 -0.17 0.00 -0.50 0.00 0.00 54.79 52.00 2iwi n ASP 54 Cb 0.38 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 2iwi n ASP 54 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2iwi n ARG 55 N 1.38 -1.88 -2.44 0.11 5.12 -0.04 -4.96 116.66 113.94 2iwi n ARG 55 Ca 0.16 0.85 -0.41 0.00 -1.93 0.00 0.00 57.85 56.53 2iwi n ARG 55 Cb 0.60 -5.48 -0.04 0.00 -1.16 0.00 0.00 32.46 26.38 2iwi n ARG 55 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2iwi s LEU 56 N -5.79 4.52 -0.22 0.55 2.96 -1.23 -4.76 118.68 114.71 2iwi s LEU 56 Ca 0.00 2.27 -0.29 0.00 -0.22 0.00 0.00 54.13 55.89 2iwi s LEU 56 Cb 0.00 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.08 2iwi s LEU 56 CO 0.00 -0.22 1.05 -1.10 -1.32 0.00 0.00 176.35 174.77 2iwi s GLN 57 N -1.11 4.27 0.36 1.98 -1.52 -1.26 -0.93 119.66 121.45 2iwi s GLN 57 Ca 0.47 1.38 0.04 0.00 -1.95 0.00 0.00 55.36 55.30 2iwi s GLN 57 Cb -0.32 -3.64 -0.06 0.00 -0.22 0.00 0.00 33.01 28.77 2iwi s GLN 57 CO 0.40 -0.62 0.06 0.14 -0.25 0.00 0.00 175.29 175.02 2iwi s VAL 58 N 3.14 1.25 -0.09 1.09 -7.23 -0.19 -3.41 120.40 114.96 2iwi s VAL 58 Ca 0.45 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2iwi s VAL 58 Cb -0.16 -2.74 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 2iwi s VAL 58 CO 0.07 0.00 -0.23 0.00 -0.31 0.00 0.00 175.10 174.63 2iwi s ALA 59 N -3.16 2.09 -0.38 1.32 0.00 0.03 -1.69 121.76 119.96 2iwi s ALA 59 Ca 0.33 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 2iwi s ALA 59 Cb 0.08 -0.75 0.07 0.00 0.00 0.00 0.00 23.12 22.51 2iwi s ALA 59 CO 0.15 0.30 0.18 0.42 0.00 0.00 0.00 175.76 176.81 2iwi s ILE 60 N 0.25 3.80 -0.25 0.00 1.09 0.58 -0.03 121.20 126.64 2iwi s ILE 60 Ca -0.15 -1.45 -0.20 0.00 -1.10 0.00 0.00 60.65 57.75 2iwi s ILE 60 Cb -0.17 -3.31 -0.02 0.00 -1.06 0.00 0.00 42.46 37.90 2iwi s ILE 60 CO 0.07 -0.41 0.61 -0.54 -0.10 0.00 0.00 174.94 174.57 2iwi s LYS 61 N 1.35 4.11 -0.25 2.79 -0.14 0.36 -0.69 119.74 127.27 2iwi s LYS 61 Ca 0.02 0.51 -0.09 0.00 -1.36 0.00 0.00 55.97 55.05 2iwi s LYS 61 Cb -0.22 -3.64 -0.04 0.00 -1.68 0.00 0.00 37.83 32.25 2iwi s LYS 61 CO 0.01 -0.38 0.11 0.08 -0.76 0.00 0.00 175.35 174.41 2iwi s VAL 62 N 2.41 4.78 -0.14 3.17 1.01 0.12 -0.55 120.40 131.21 2iwi s VAL 62 Ca 0.25 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.24 2iwi s VAL 62 Cb -0.16 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.99 2iwi s VAL 62 CO 0.09 0.33 -0.21 -0.63 0.00 0.00 0.00 175.10 174.68 2iwi s ILE 63 N 1.42 2.21 0.83 2.22 1.01 -0.02 -1.19 121.20 127.68 2iwi s ILE 63 Ca 0.06 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 2iwi s ILE 63 Cb -0.15 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.50 2iwi s ILE 63 CO 0.06 0.54 1.00 -2.65 0.00 0.00 0.00 174.94 173.89 2iwi n PRO 64 N 3.99 0.04 0.03 2.79 -0.02 -1.26 -2.01 135.00 138.56 2iwi n PRO 64 Ca -0.20 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.35 2iwi n PRO 64 Cb 0.52 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 2iwi n PRO 64 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2iwi h ARG 65 N -1.08 -0.10 -0.02 -0.52 2.43 -2.00 -3.37 114.38 109.72 2iwi h ARG 65 Ca -0.45 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2iwi h ARG 65 Cb 1.30 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2iwi h ARG 65 CO 0.43 -0.07 0.00 0.09 -1.51 0.00 0.00 179.97 178.91 2iwi n ASN 66 N -2.72 0.59 -2.40 -3.80 4.13 -1.26 -3.84 115.26 105.96 2iwi n ASN 66 Ca -0.01 -1.27 -0.27 0.00 1.68 0.00 0.00 54.58 54.70 2iwi n ASN 66 Cb 0.04 -0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.28 2iwi n ASN 66 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2iwi n ARG 67 N -0.50 3.41 0.00 3.52 3.00 -1.26 -4.80 116.66 120.02 2iwi n ARG 67 Ca 0.20 -4.33 0.00 0.00 -0.01 0.00 0.00 57.85 53.72 2iwi n ARG 67 Cb 0.20 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.40 2iwi n ARG 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2iwi n VAL 68 N -0.55 0.00 0.00 1.55 3.14 -1.25 -4.61 118.33 116.61 2iwi n VAL 68 Ca 0.42 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.80 2iwi n VAL 68 Cb 0.70 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.48 2iwi n VAL 68 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2iwi n LEU 69 N -1.36 0.00 0.00 6.55 7.99 -1.26 -5.11 117.00 123.81 2iwi n LEU 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2iwi n LEU 69 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2iwi n LEU 69 CO 0.00 0.00 0.00 0.52 -1.51 0.00 0.00 177.39 176.40 2iwi n VAL 78 N 0.00 0.00 -2.67 4.08 0.31 -1.26 -4.72 118.33 114.07 2iwi n VAL 78 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 2iwi n VAL 78 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2iwi n VAL 78 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2iwi n THR 79 N 0.00 3.49 -3.08 2.52 -1.04 -1.26 -5.03 114.28 109.88 2iwi n THR 79 Ca 0.00 -5.37 -0.27 0.00 -2.04 0.00 0.00 64.05 56.37 2iwi n THR 79 Cb 0.00 -1.38 -0.01 0.00 -1.82 0.00 0.00 70.33 67.12 2iwi n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2iwi n PRO 81 N -1.68 1.08 -0.17 0.00 -0.02 -1.26 -4.80 135.00 128.15 2iwi n PRO 81 Ca -0.02 0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 2iwi n PRO 81 Cb 0.55 -2.01 0.07 0.00 -0.02 0.00 0.00 33.50 32.09 2iwi n PRO 81 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2iwi h LEU 82 N 1.04 -0.22 -0.92 2.45 5.85 -1.97 -1.06 115.31 120.48 2iwi h LEU 82 Ca -0.46 0.12 0.25 0.00 0.84 0.00 0.00 57.88 58.64 2iwi h LEU 82 Cb 1.36 0.22 -0.13 0.00 0.37 0.00 0.00 40.66 42.47 2iwi h LEU 82 CO 0.54 -0.08 0.39 -0.08 -0.34 0.00 0.00 178.44 178.86 2iwi h GLU 83 N 0.12 0.32 -0.06 1.25 4.81 -1.89 0.23 114.58 119.36 2iwi h GLU 83 Ca 0.26 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2iwi h GLU 83 Cb 0.40 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2iwi h GLU 83 CO -0.44 0.21 0.01 0.28 -0.73 0.00 0.00 179.01 178.34 2iwi h VAL 84 N 0.33 1.23 -0.70 0.32 2.07 -1.55 -0.97 116.25 116.98 2iwi h VAL 84 Ca 0.60 -0.69 0.13 0.00 0.82 0.00 0.00 66.70 67.55 2iwi h VAL 84 Cb 1.21 1.58 -0.09 0.00 -1.52 0.00 0.00 31.29 32.47 2iwi h VAL 84 CO -0.58 0.19 0.26 0.00 0.02 0.00 0.00 177.57 177.46 2iwi h ALA 85 N 0.75 0.94 0.25 1.67 0.00 -0.24 -1.76 119.26 120.87 2iwi h ALA 85 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2iwi h ALA 85 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2iwi h ALA 85 CO 0.00 -0.22 -0.12 -0.07 0.00 0.00 0.00 179.25 178.84 2iwi h LEU 86 N 0.41 -0.28 -1.76 0.00 3.38 -0.69 -2.70 115.31 113.66 2iwi h LEU 86 Ca 0.37 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2iwi h LEU 86 Cb 0.54 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2iwi h LEU 86 CO -0.38 0.06 0.28 -0.07 0.09 0.00 0.00 178.44 178.42 2iwi h LEU 87 N -0.66 0.26 -0.35 1.67 3.38 -0.88 -0.44 115.31 118.29 2iwi h LEU 87 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2iwi h LEU 87 Cb 0.46 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2iwi h LEU 87 CO 0.06 0.17 -0.42 -0.50 0.09 0.00 0.00 178.44 177.83 2iwi h TRP 88 N 0.29 1.09 -0.36 1.13 4.06 -1.28 0.48 115.95 121.36 2iwi h TRP 88 Ca 0.18 -0.35 -0.02 0.00 2.06 0.00 0.00 58.89 60.77 2iwi h TRP 88 Cb 0.36 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 2iwi h TRP 88 CO -0.00 1.17 0.15 0.87 -3.56 0.00 0.00 178.44 177.07 2iwi h LYS 89 N 0.70 0.54 -0.47 0.49 1.57 -0.94 -1.12 116.57 117.33 2iwi h LYS 89 Ca 0.05 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2iwi h LYS 89 Cb 1.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2iwi h LYS 89 CO 0.10 0.52 0.13 0.28 -0.57 0.00 0.00 179.45 179.91 2iwi h VAL 90 N 0.44 1.23 -0.00 0.50 2.07 -1.06 -3.14 116.25 116.29 2iwi h VAL 90 Ca 0.12 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2iwi h VAL 90 Cb 0.18 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2iwi h VAL 90 CO -0.01 0.28 -0.01 0.61 0.02 0.00 0.00 177.57 178.46 2iwi n GLY 91 N -0.65 -1.00 3.78 2.17 0.00 0.17 -4.42 105.19 105.24 2iwi n GLY 91 Ca 0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2iwi n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iwi s ALA 92 N -2.21 3.49 0.00 4.61 0.00 -0.44 -3.68 121.76 123.53 2iwi s ALA 92 Ca 0.40 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2iwi s ALA 92 Cb 0.21 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2iwi s ALA 92 CO 0.40 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2iwi n GLY 93 N 0.51 1.10 3.61 0.00 0.00 -1.26 -4.60 105.19 104.54 2iwi n GLY 93 Ca 0.02 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 2iwi n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2iwi s GLY 94 N 0.00 -0.14 1.39 -0.02 0.00 -1.24 -5.18 107.32 102.13 2iwi s GLY 94 Ca 0.00 2.43 -0.22 0.00 0.00 0.00 0.00 44.72 46.92 2iwi s GLY 94 CO 0.00 1.34 0.96 -0.32 0.00 0.00 0.00 173.10 175.08 2iwi s GLY 95 N -0.64 1.44 0.00 0.20 0.00 -1.26 -4.88 107.32 102.18 2iwi s GLY 95 Ca 0.02 -0.85 0.18 0.00 0.00 0.00 0.00 44.72 44.07 2iwi s GLY 95 CO -0.03 0.15 1.56 1.42 0.00 0.00 0.00 173.10 176.19 2iwi n HIS 96 N -5.50 0.00 -0.52 1.90 -0.00 -1.26 -4.70 115.22 105.14 2iwi n HIS 96 Ca 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.80 2iwi n HIS 96 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.60 2iwi n HIS 96 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2iwi n PRO 97 N -0.87 1.22 -1.20 -0.41 -0.04 -1.26 -4.47 135.00 127.96 2iwi n PRO 97 Ca 0.14 -0.44 -0.28 0.00 -0.04 0.00 0.00 63.50 62.87 2iwi n PRO 97 Cb 0.06 -1.17 0.10 0.00 -0.04 0.00 0.00 33.50 32.45 2iwi n PRO 97 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iwi n GLY 98 N 1.11 5.15 2.87 0.55 0.00 -1.26 -4.85 105.19 108.76 2iwi n GLY 98 Ca 0.08 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 2iwi n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iwi s VAL 99 N -3.93 0.55 0.43 1.61 1.01 -1.26 0.12 120.40 118.93 2iwi s VAL 99 Ca 0.56 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.21 2iwi s VAL 99 Cb 0.45 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 36.14 2iwi s VAL 99 CO 0.02 0.25 1.24 -0.63 0.00 0.00 0.00 175.10 175.98 2iwi s ILE 100 N 1.23 2.84 -0.11 2.22 -1.09 -1.08 -4.55 121.20 120.66 2iwi s ILE 100 Ca -0.06 0.70 -0.05 0.00 -2.23 0.00 0.00 60.65 59.01 2iwi s ILE 100 Cb -0.14 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 2iwi s ILE 100 CO -0.02 0.06 0.08 -0.13 -1.23 0.00 0.00 174.94 173.70 2iwi s ARG 101 N -2.40 3.32 -0.12 2.79 0.52 -1.26 -4.94 118.95 116.86 2iwi s ARG 101 Ca 0.59 -0.26 -0.29 0.00 -0.52 0.00 0.00 55.73 55.25 2iwi s ARG 101 Cb -0.34 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2iwi s ARG 101 CO 0.43 0.69 0.99 -0.48 0.02 0.00 0.00 175.30 176.95 2iwi s LEU 102 N -0.81 4.23 -0.04 2.53 0.05 -1.26 -1.62 118.68 121.76 2iwi s LEU 102 Ca 0.13 1.48 0.05 0.00 0.05 0.00 0.00 54.13 55.85 2iwi s LEU 102 Cb -0.12 -3.52 -0.24 0.00 -2.05 0.00 0.00 46.19 40.26 2iwi s LEU 102 CO 0.03 -0.45 0.68 -0.07 -0.55 0.00 0.00 176.35 175.99 2iwi h LEU 103 N 8.11 0.15 -7.02 1.48 3.38 -0.27 -3.48 115.31 117.66 2iwi h LEU 103 Ca -0.30 -0.29 0.24 0.00 0.09 0.00 0.00 57.88 57.61 2iwi h LEU 103 Cb 1.14 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 2iwi h LEU 103 CO 0.86 1.26 0.76 -0.62 0.09 0.00 0.00 178.44 180.79 2iwi s ASP 104 N -6.49 -0.17 0.01 -0.43 -1.08 -0.90 -5.01 116.67 102.61 2iwi s ASP 104 Ca -0.09 -0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 51.92 2iwi s ASP 104 Cb 0.08 0.18 -0.01 0.00 -1.46 0.00 0.00 42.92 41.70 2iwi s ASP 104 CO 0.82 -0.30 -0.00 -1.66 0.52 0.00 0.00 175.17 174.55 2iwi s TRP 105 N -2.53 0.20 0.00 -5.34 1.48 -1.26 -0.48 118.94 111.01 2iwi s TRP 105 Ca 0.09 -0.41 0.00 0.00 -1.06 0.00 0.00 56.10 54.72 2iwi s TRP 105 Cb -0.01 -0.15 0.00 0.00 -1.16 0.00 0.00 33.47 32.15 2iwi s TRP 105 CO -0.05 -0.18 0.00 1.19 -4.06 0.00 0.00 176.95 173.85 2iwi n PHE 106 N 1.76 0.00 -4.07 1.66 3.01 -1.26 -4.99 117.46 113.57 2iwi n PHE 106 Ca -0.22 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.89 2iwi n PHE 106 Cb 0.56 0.24 -0.09 0.00 -0.01 0.00 0.00 39.48 40.18 2iwi n PHE 106 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2iwi s PHE 112 N -1.54 3.30 -0.18 1.38 0.08 -0.85 -4.75 117.98 115.42 2iwi s PHE 112 Ca 0.00 0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 2iwi s PHE 112 Cb 0.00 -1.98 0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2iwi s PHE 112 CO 0.00 0.34 -0.02 -1.64 -0.10 0.00 0.00 175.22 173.80 2iwi s MET 113 N -0.19 1.09 -0.32 0.44 -1.94 -1.26 -0.84 119.30 116.28 2iwi s MET 113 Ca 0.08 -0.49 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 2iwi s MET 113 Cb -0.12 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 2iwi s MET 113 CO 0.01 -0.52 0.20 -0.51 -0.01 0.00 0.00 175.02 174.19 2iwi s LEU 114 N 1.71 4.31 -0.38 -0.03 1.02 0.29 -4.35 118.68 121.25 2iwi s LEU 114 Ca -0.00 -0.42 -0.23 0.00 0.02 0.00 0.00 54.13 53.50 2iwi s LEU 114 Cb -0.16 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 43.98 2iwi s LEU 114 CO -0.07 -0.20 0.78 -0.69 0.02 0.00 0.00 176.35 176.18 2iwi s VAL 115 N 1.68 4.72 0.37 -1.59 1.01 0.37 -0.49 120.40 126.48 2iwi s VAL 115 Ca 0.06 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.89 2iwi s VAL 115 Cb -0.17 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 2iwi s VAL 115 CO 0.09 -0.49 0.05 -0.76 0.00 0.00 0.00 175.10 173.99 2iwi s LEU 116 N 3.13 3.00 0.49 3.92 1.02 0.96 0.50 118.68 131.69 2iwi s LEU 116 Ca 0.31 -1.08 -0.21 0.00 0.02 0.00 0.00 54.13 53.16 2iwi s LEU 116 Cb -0.13 -1.29 -0.07 0.00 0.02 0.00 0.00 46.19 44.72 2iwi s LEU 116 CO 0.18 -0.35 1.13 -1.83 0.02 0.00 0.00 176.35 175.50 2iwi s GLU 117 N -3.76 3.65 -0.24 1.70 -1.05 -0.64 -0.79 118.70 117.57 2iwi s GLU 117 Ca 0.36 1.65 -0.02 0.00 -0.15 0.00 0.00 54.97 56.81 2iwi s GLU 117 Cb 0.03 -2.24 0.07 0.00 -0.44 0.00 0.00 34.13 31.55 2iwi s GLU 117 CO 0.20 -0.62 0.05 0.50 0.95 0.00 0.00 175.26 176.35 2iwi s ARG 118 N -2.95 0.69 0.43 -4.83 3.52 -1.22 -4.49 118.95 110.09 2iwi s ARG 118 Ca 0.67 -0.64 -0.25 0.00 -0.13 0.00 0.00 55.73 55.38 2iwi s ARG 118 Cb -0.25 -2.03 -0.08 0.00 -1.56 0.00 0.00 34.95 31.03 2iwi s ARG 118 CO 0.30 -0.76 1.23 -1.25 -0.81 0.00 0.00 175.30 174.00 2iwi s PRO 119 N 1.78 3.87 -0.10 5.12 0.04 -1.26 -4.62 135.00 139.84 2iwi s PRO 119 Ca 0.02 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2iwi s PRO 119 Cb -0.17 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.79 2iwi s PRO 119 CO -0.15 -0.51 -0.09 -0.51 0.04 0.00 0.00 177.00 175.78 2iwi s LEU 120 N -2.69 1.34 0.37 -3.56 1.43 -1.26 -3.33 118.68 110.98 2iwi s LEU 120 Ca 0.60 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2iwi s LEU 120 Cb -0.34 -0.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 2iwi s LEU 120 CO 0.42 -0.07 0.82 -2.16 0.23 0.00 0.00 176.35 175.59 2iwi s PRO 121 N 1.38 4.06 0.17 1.29 0.05 -1.26 -4.85 135.00 135.85 2iwi s PRO 121 Ca -0.01 0.82 0.04 0.00 0.05 0.00 0.00 61.00 61.90 2iwi s PRO 121 Cb -0.14 -2.33 -0.05 0.00 0.05 0.00 0.00 34.50 32.04 2iwi s PRO 121 CO -0.05 0.06 -0.06 0.00 0.05 0.00 0.00 177.00 177.01 2iwi s ALA 122 N -2.10 1.52 -0.27 8.56 0.00 -1.21 -1.97 121.76 126.29 2iwi s ALA 122 Ca 0.57 -1.57 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2iwi s ALA 122 Cb -0.10 0.23 0.12 0.00 0.00 0.00 0.00 23.12 23.37 2iwi s ALA 122 CO 0.17 -0.17 1.02 -1.14 0.00 0.00 0.00 175.76 175.65 2iwi s GLN 123 N -3.80 0.52 0.29 0.00 0.74 -0.77 -4.94 119.66 111.70 2iwi s GLN 123 Ca 0.21 0.56 -0.05 0.00 0.05 0.00 0.00 55.36 56.13 2iwi s GLN 123 Cb 0.04 0.25 -0.05 0.00 1.10 0.00 0.00 33.01 34.35 2iwi s GLN 123 CO 0.03 -0.07 0.56 0.16 -0.55 0.00 0.00 175.29 175.42 2iwi s ASP 124 N 0.11 6.45 0.27 6.67 -4.77 -1.26 -0.22 116.67 123.92 2iwi s ASP 124 Ca 0.03 0.73 0.00 0.00 -3.30 0.00 0.00 52.55 50.01 2iwi s ASP 124 Cb -0.05 -2.15 0.56 0.00 -1.09 0.00 0.00 42.92 40.20 2iwi s ASP 124 CO -0.05 -0.20 1.78 0.25 0.70 0.00 0.00 175.17 177.64 2iwi h LEU 125 N 1.66 0.64 -0.40 2.11 5.85 -1.09 0.15 115.31 124.23 2iwi h LEU 125 Ca -0.48 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.41 2iwi h LEU 125 Cb 1.19 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 2iwi h LEU 125 CO 0.66 0.28 -0.16 0.15 -0.34 0.00 0.00 178.44 179.03 2iwi h PHE 126 N 0.71 -0.37 0.00 1.25 3.57 -1.76 0.10 116.94 120.44 2iwi h PHE 126 Ca 0.48 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.88 2iwi h PHE 126 Cb 0.66 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2iwi h PHE 126 CO -0.06 -0.24 -0.71 -0.44 -2.23 0.00 0.00 178.31 174.63 2iwi h ASP 127 N -0.07 0.00 0.47 0.41 3.32 -1.23 -2.17 116.42 117.14 2iwi h ASP 127 Ca 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2iwi h ASP 127 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2iwi h ASP 127 CO -0.45 0.71 -0.36 0.22 -1.72 0.00 0.00 179.24 177.64 2iwi h TYR 128 N 0.00 -0.97 -0.86 4.55 3.20 0.16 -2.10 116.97 120.94 2iwi h TYR 128 Ca -0.01 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.00 2iwi h TYR 128 Cb 1.30 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 39.87 2iwi h TYR 128 CO 0.00 -0.50 0.56 0.82 -1.64 0.00 0.00 178.16 177.40 2iwi h ILE 129 N -0.79 0.85 0.00 1.81 2.04 -0.86 0.38 117.51 120.94 2iwi h ILE 129 Ca -0.06 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2iwi h ILE 129 Cb 0.66 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2iwi h ILE 129 CO 0.02 0.12 -0.17 0.74 0.00 0.00 0.00 178.15 178.86 2iwi h THR 130 N 0.67 0.61 0.03 -0.27 2.02 -1.08 0.89 112.91 115.79 2iwi h THR 130 Ca 0.43 -0.75 -0.38 0.00 0.77 0.00 0.00 66.41 66.47 2iwi h THR 130 Cb 0.69 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 2iwi h THR 130 CO -0.19 0.17 -2.36 -0.62 0.37 0.00 0.00 175.52 172.89 2iwi n GLU 131 N -3.60 0.68 -0.06 6.66 4.71 -0.47 -4.65 120.64 123.90 2iwi n GLU 131 Ca -0.01 0.17 -0.17 0.00 -0.01 0.00 0.00 57.16 57.14 2iwi n GLU 131 Cb 0.30 -1.56 -0.14 0.00 -1.01 0.00 0.00 31.44 29.03 2iwi n GLU 131 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2iwi n LYS 132 N -3.29 0.69 0.00 3.49 2.85 0.00 -5.11 118.16 116.79 2iwi n LYS 132 Ca -0.42 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 2iwi n LYS 132 Cb 1.01 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 2iwi n LYS 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2iwi n GLY 133 N 2.00 -1.78 3.70 2.58 0.00 0.31 -4.98 105.19 107.02 2iwi n GLY 133 Ca -0.35 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.33 2iwi n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2iwi n PRO 134 N 0.00 1.20 0.18 1.61 -0.04 -1.26 -4.49 135.00 132.19 2iwi n PRO 134 Ca 0.00 0.46 0.06 0.00 -0.04 0.00 0.00 63.50 63.98 2iwi n PRO 134 Cb 0.00 -2.45 0.24 0.00 -0.04 0.00 0.00 33.50 31.25 2iwi n PRO 134 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2iwi h LEU 135 N 0.73 0.00 0.00 1.53 3.38 -1.41 -3.49 115.31 116.06 2iwi h LEU 135 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2iwi h LEU 135 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2iwi h LEU 135 CO 0.53 0.37 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2iwi n GLY 136 N 0.65 0.84 0.19 0.83 0.00 -1.26 -4.58 105.19 101.86 2iwi n GLY 136 Ca 0.01 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.43 2iwi n GLY 136 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2iwi h GLU 137 N 0.00 0.00 0.00 1.61 5.08 -1.96 -2.14 114.58 117.17 2iwi h GLU 137 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2iwi h GLU 137 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2iwi h GLU 137 CO 0.00 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 2iwi n GLY 138 N 1.13 -2.30 0.24 -3.84 0.00 -1.26 -2.03 105.19 97.13 2iwi n GLY 138 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2iwi n GLY 138 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2iwi h PRO 139 N 0.00 0.12 -0.40 1.61 0.11 -1.81 -1.92 132.00 129.71 2iwi h PRO 139 Ca 0.00 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.17 2iwi h PRO 139 Cb 0.00 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.02 2iwi h PRO 139 CO 0.00 0.08 0.03 0.77 -0.21 0.00 0.00 178.00 178.66 2iwi h SER 140 N 0.12 -0.10 -0.96 -2.05 0.02 -1.46 0.71 113.55 109.84 2iwi h SER 140 Ca 0.33 0.08 0.18 0.00 -0.84 0.00 0.00 61.79 61.55 2iwi h SER 140 Cb 0.55 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 63.12 2iwi h SER 140 CO -0.54 -0.02 0.55 -0.09 -1.14 0.00 0.00 176.83 175.59 2iwi h ARG 141 N 0.14 0.69 0.42 3.45 2.43 -0.79 -0.03 114.38 120.69 2iwi h ARG 141 Ca 0.19 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2iwi h ARG 141 Cb 0.26 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2iwi h ARG 141 CO -0.30 0.46 -0.20 0.00 -1.51 0.00 0.00 179.97 178.41 2iwi h PHE 143 N -0.64 0.66 -0.09 0.00 0.04 -1.02 -2.90 116.94 112.99 2iwi h PHE 143 Ca -0.06 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.57 2iwi h PHE 143 Cb 0.44 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2iwi h PHE 143 CO 0.10 0.20 -0.63 0.35 -0.60 0.00 0.00 178.31 177.72 2iwi h PHE 144 N 0.51 0.43 0.08 -0.55 3.57 -0.88 0.24 116.94 120.35 2iwi h PHE 144 Ca 0.47 -0.17 -0.26 0.00 3.53 0.00 0.00 57.97 61.54 2iwi h PHE 144 Cb 1.00 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.67 2iwi h PHE 144 CO -0.00 0.87 -1.12 0.78 -2.23 0.00 0.00 178.31 176.60 2iwi h GLY 145 N 1.37 0.41 0.32 2.40 0.00 -1.32 -1.67 103.07 104.59 2iwi h GLY 145 Ca -0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.43 2iwi h GLY 145 CO 0.10 0.78 -0.48 1.46 0.00 0.00 0.00 176.54 178.40 2iwi h GLN 146 N 0.16 -0.81 -0.72 4.80 4.20 -1.29 -1.39 115.11 120.06 2iwi h GLN 146 Ca -0.12 0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.77 2iwi h GLN 146 Cb 1.81 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 29.68 2iwi h GLN 146 CO 0.19 -0.54 0.30 0.28 -0.67 0.00 0.00 178.83 178.39 2iwi h VAL 147 N -0.84 0.72 -0.48 -0.54 2.07 -0.94 -0.35 116.25 115.88 2iwi h VAL 147 Ca -0.04 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2iwi h VAL 147 Cb 0.77 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2iwi h VAL 147 CO -0.15 0.09 0.01 0.58 0.02 0.00 0.00 177.57 178.12 2iwi h VAL 148 N 0.48 1.24 -0.14 2.57 2.07 -1.15 -1.72 116.25 119.60 2iwi h VAL 148 Ca 0.38 -0.99 -0.15 0.00 0.82 0.00 0.00 66.70 66.77 2iwi h VAL 148 Cb 0.53 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2iwi h VAL 148 CO -0.36 0.35 -0.48 0.00 0.02 0.00 0.00 177.57 177.10 2iwi h ALA 149 N 1.27 0.24 -0.12 1.67 0.00 -0.52 0.14 119.26 121.94 2iwi h ALA 149 Ca 0.15 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2iwi h ALA 149 Cb 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2iwi h ALA 149 CO 0.02 0.41 -0.10 0.00 0.00 0.00 0.00 179.25 179.58 2iwi h ALA 150 N 0.52 -0.24 -0.62 0.00 0.00 -0.89 -0.74 119.26 117.29 2iwi h ALA 150 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2iwi h ALA 150 Cb 1.11 0.92 -0.10 0.00 0.00 0.00 0.00 17.79 19.72 2iwi h ALA 150 CO 0.10 -0.29 0.04 0.82 0.00 0.00 0.00 179.25 179.92 2iwi h ILE 151 N -0.03 0.52 -0.80 0.00 2.04 -1.25 -1.47 117.51 116.51 2iwi h ILE 151 Ca 0.02 -0.05 0.19 0.00 1.00 0.00 0.00 64.86 66.02 2iwi h ILE 151 Cb 0.09 0.36 -0.13 0.00 -0.74 0.00 0.00 36.82 36.39 2iwi h ILE 151 CO -0.13 0.03 0.12 1.56 0.00 0.00 0.00 178.15 179.73 2iwi h GLN 152 N 0.15 0.17 0.30 2.37 4.20 -0.09 -0.90 115.11 121.30 2iwi h GLN 152 Ca 0.33 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 2iwi h GLN 152 Cb 0.53 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2iwi h GLN 152 CO -0.50 0.11 -0.14 1.25 -0.67 0.00 0.00 178.83 178.88 2iwi h HIS 153 N 0.17 -0.37 -0.60 2.96 2.76 -0.07 -2.19 115.15 117.81 2iwi h HIS 153 Ca 0.47 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.75 2iwi h HIS 153 Cb 0.87 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 29.85 2iwi h HIS 153 CO -0.34 -0.20 -0.01 0.00 -1.30 0.00 0.00 177.93 176.09 2iwi h HIS 155 N 0.11 0.73 -0.88 0.00 -0.00 -1.06 0.34 115.15 114.39 2iwi h HIS 155 Ca 0.31 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.75 2iwi h HIS 155 Cb 0.49 -0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 27.63 2iwi h HIS 155 CO -0.36 0.35 0.57 0.66 -0.00 0.00 0.00 177.93 179.15 2iwi h SER 156 N 0.73 0.91 0.41 2.45 4.64 -0.02 -0.83 113.55 121.84 2iwi h SER 156 Ca 0.31 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.51 2iwi h SER 156 Cb 0.19 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2iwi h SER 156 CO -0.18 0.60 -0.52 0.03 -0.87 0.00 0.00 176.83 175.89 2iwi h ARG 157 N 1.04 0.12 0.00 4.77 2.47 0.89 -3.47 114.38 120.20 2iwi h ARG 157 Ca 0.36 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2iwi h ARG 157 Cb 0.12 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2iwi h ARG 157 CO -0.12 0.61 0.00 0.41 0.56 0.00 0.00 179.97 181.43 2iwi n GLY 158 N 0.01 1.72 3.55 0.04 0.00 1.00 -4.97 105.19 106.53 2iwi n GLY 158 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2iwi n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iwi s VAL 159 N -2.00 3.31 -0.07 1.61 1.01 -0.27 -0.49 120.40 123.50 2iwi s VAL 159 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2iwi s VAL 159 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2iwi s VAL 159 CO 0.00 0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 174.53 2iwi s VAL 160 N -1.02 1.65 0.12 2.92 1.01 0.13 -3.07 120.40 122.15 2iwi s VAL 160 Ca 0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2iwi s VAL 160 Cb -0.11 -1.44 -0.20 0.00 0.00 0.00 0.00 36.38 34.63 2iwi s VAL 160 CO 0.08 0.47 1.27 -0.74 0.00 0.00 0.00 175.10 176.18 2iwi h HIS 161 N 6.61 0.62 -0.02 5.22 2.76 -1.95 -1.39 115.15 127.00 2iwi h HIS 161 Ca -0.27 -0.36 -0.01 0.00 -2.20 0.00 0.00 60.37 57.54 2iwi h HIS 161 Cb 1.20 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 2iwi h HIS 161 CO 0.46 1.19 -0.01 0.54 -1.30 0.00 0.00 177.93 178.82 2iwi n ARG 162 N -3.72 -1.99 -2.75 5.26 1.74 -1.26 -3.00 116.66 110.94 2iwi n ARG 162 Ca -0.07 0.48 -0.09 0.00 -0.77 0.00 0.00 57.85 57.39 2iwi n ARG 162 Cb 0.87 -4.83 0.09 0.00 -1.02 0.00 0.00 32.46 27.57 2iwi n ARG 162 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2iwi n ASP 163 N -0.71 -1.73 -4.67 0.55 2.03 -1.26 -4.76 116.55 105.99 2iwi n ASP 163 Ca -0.00 -3.16 -0.43 0.00 0.52 0.00 0.00 54.79 51.72 2iwi n ASP 163 Cb 0.47 1.28 -0.02 0.00 -0.72 0.00 0.00 41.12 42.12 2iwi n ASP 163 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2iwi s ILE 164 N -0.16 4.23 0.16 5.18 -1.09 -1.26 -4.76 121.20 123.50 2iwi s ILE 164 Ca 0.24 1.51 -0.25 0.00 -2.23 0.00 0.00 60.65 59.92 2iwi s ILE 164 Cb 0.34 -3.98 0.06 0.00 -1.58 0.00 0.00 42.46 37.31 2iwi s ILE 164 CO -0.06 -0.09 0.91 -1.59 -1.23 0.00 0.00 174.94 172.88 2iwi s LYS 165 N 3.10 1.26 0.29 2.79 -2.85 -1.26 -4.82 119.74 118.25 2iwi s LYS 165 Ca 0.56 -0.68 0.03 0.00 -1.00 0.00 0.00 55.97 54.88 2iwi s LYS 165 Cb -0.23 0.44 0.64 0.00 -2.06 0.00 0.00 37.83 36.62 2iwi s LYS 165 CO 0.18 -0.58 1.79 0.38 0.10 0.00 0.00 175.35 177.22 2iwi h ASP 166 N 2.00 0.76 -0.61 0.03 2.03 -1.94 0.18 116.42 118.88 2iwi h ASP 166 Ca -0.23 0.08 0.01 0.00 -0.73 0.00 0.00 57.03 56.16 2iwi h ASP 166 Cb 1.24 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.65 2iwi h ASP 166 CO 0.26 0.31 0.40 -0.33 -1.03 0.00 0.00 179.24 178.85 2iwi h GLU 167 N 0.79 0.78 -0.86 4.15 5.08 -1.92 -2.62 114.58 119.96 2iwi h GLU 167 Ca 0.53 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.56 2iwi h GLU 167 Cb 0.74 -0.18 -0.17 0.00 0.50 0.00 0.00 28.75 29.65 2iwi h GLU 167 CO -0.35 0.52 0.36 0.09 -1.00 0.00 0.00 179.01 178.62 2iwi n ASN 168 N -4.45 4.21 -4.02 1.42 4.13 0.64 -4.69 115.26 112.50 2iwi n ASN 168 Ca 0.06 -3.18 -0.31 0.00 1.68 0.00 0.00 54.58 52.84 2iwi n ASN 168 Cb 0.06 -0.75 -0.16 0.00 -1.54 0.00 0.00 39.78 37.39 2iwi n ASN 168 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2iwi s ILE 169 N -2.74 1.67 -0.24 2.41 -1.09 -1.15 -1.88 121.20 118.18 2iwi s ILE 169 Ca 0.49 -0.85 -0.10 0.00 -2.23 0.00 0.00 60.65 57.95 2iwi s ILE 169 Cb 0.40 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.58 2iwi s ILE 169 CO 0.11 0.33 0.16 -0.22 -1.23 0.00 0.00 174.94 174.09 2iwi s LEU 170 N 1.42 4.11 -0.32 2.97 2.96 0.33 -1.78 118.68 128.37 2iwi s LEU 170 Ca 0.02 0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.85 2iwi s LEU 170 Cb -0.14 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 2iwi s LEU 170 CO -0.10 0.07 0.55 -0.63 -1.32 0.00 0.00 176.35 174.92 2iwi s ILE 171 N 1.06 5.00 -0.51 6.68 -1.09 0.70 -0.07 121.20 132.96 2iwi s ILE 171 Ca 0.07 0.62 -0.26 0.00 -2.23 0.00 0.00 60.65 58.85 2iwi s ILE 171 Cb -0.14 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2iwi s ILE 171 CO 0.04 -0.13 1.01 -0.62 -1.23 0.00 0.00 174.94 174.02 2iwi s ASP 172 N 1.68 6.47 0.49 3.58 3.68 -0.94 -1.85 116.67 129.79 2iwi s ASP 172 Ca 0.21 0.06 0.23 0.00 2.13 0.00 0.00 52.55 55.19 2iwi s ASP 172 Cb -0.15 -2.48 1.28 0.00 -1.45 0.00 0.00 42.92 40.12 2iwi s ASP 172 CO 0.12 -1.21 2.03 -0.07 0.13 0.00 0.00 175.17 176.17 2iwi h LEU 173 N 11.02 0.00 0.09 -1.34 3.38 -1.74 0.41 115.31 127.13 2iwi h LEU 173 Ca -0.25 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.45 2iwi h LEU 173 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2iwi h LEU 173 CO 1.09 0.16 -1.32 0.08 0.09 0.00 0.00 178.44 178.53 2iwi h ARG 174 N 0.00 0.20 -0.36 1.13 -0.00 -1.89 -3.33 114.38 110.13 2iwi h ARG 174 Ca -0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 2iwi h ARG 174 Cb 0.37 0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.47 2iwi h ARG 174 CO 0.02 1.10 0.00 0.54 -0.00 0.00 0.00 179.97 181.63 2iwi n ARG 175 N -3.44 2.34 -4.14 0.08 5.12 -1.09 -4.99 116.66 110.53 2iwi n ARG 175 Ca -0.10 -2.04 -0.38 0.00 -1.93 0.00 0.00 57.85 53.40 2iwi n ARG 175 Cb 1.02 -1.36 -0.03 0.00 -1.16 0.00 0.00 32.46 30.92 2iwi n ARG 175 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2iwi n GLY 176 N 0.95 -0.48 2.87 -0.13 0.00 0.12 -4.93 105.19 103.58 2iwi n GLY 176 Ca 0.14 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 2iwi n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iwi s ALA 178 N 1.53 3.30 -0.04 0.00 0.00 -1.26 -2.21 121.76 123.08 2iwi s ALA 178 Ca -0.03 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2iwi s ALA 178 Cb -0.18 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2iwi s ALA 178 CO -0.08 0.01 -0.05 0.15 0.00 0.00 0.00 175.76 175.79 2iwi s LYS 179 N -0.48 0.75 -0.39 0.00 1.02 0.89 -4.45 119.74 117.07 2iwi s LYS 179 Ca 0.45 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 2iwi s LYS 179 Cb -0.25 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.32 2iwi s LYS 179 CO 0.32 -0.04 1.11 -1.17 -0.92 0.00 0.00 175.35 174.65 2iwi s LEU 180 N 0.73 3.79 0.34 3.17 2.96 0.32 0.12 118.68 130.11 2iwi s LEU 180 Ca -0.09 0.78 0.08 0.00 -0.22 0.00 0.00 54.13 54.68 2iwi s LEU 180 Cb -0.13 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2iwi s LEU 180 CO 0.00 -1.06 0.16 0.27 -1.32 0.00 0.00 176.35 174.40 2iwi s ILE 181 N 4.05 3.13 -0.17 6.68 -4.36 -0.79 -2.65 121.20 127.09 2iwi s ILE 181 Ca 0.47 -1.65 -0.00 0.00 -0.26 0.00 0.00 60.65 59.20 2iwi s ILE 181 Cb -0.10 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.60 2iwi s ILE 181 CO 0.23 -0.19 0.01 -0.67 0.24 0.00 0.00 174.94 174.56 2iwi n ASP 182 N -1.17 -5.23 -2.18 4.36 -0.08 -1.26 -4.81 116.55 106.18 2iwi n ASP 182 Ca -0.03 0.81 -0.21 0.00 -1.51 0.00 0.00 54.79 53.85 2iwi n ASP 182 Cb 0.61 -3.46 0.20 0.00 2.34 0.00 0.00 41.12 40.81 2iwi n ASP 182 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2iwi n PHE 183 N 0.42 2.95 -0.33 -0.67 3.01 -1.26 -4.57 117.46 117.01 2iwi n PHE 183 Ca -0.01 -1.73 -0.03 0.00 1.01 0.00 0.00 57.45 56.68 2iwi n PHE 183 Cb 0.02 -0.90 0.10 0.00 -0.01 0.00 0.00 39.48 38.69 2iwi n PHE 183 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2iwi h GLY 184 N 1.31 1.33 -1.79 1.37 0.00 -1.92 -2.90 103.07 100.47 2iwi h GLY 184 Ca 0.57 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2iwi h GLY 184 CO 1.04 0.57 0.00 -1.14 0.00 0.00 0.00 176.54 177.01 2iwi n SER 185 N -4.33 2.88 -4.72 0.19 3.41 -1.26 -4.86 113.62 104.92 2iwi n SER 185 Ca 0.10 -1.90 -0.29 0.00 -0.26 0.00 0.00 58.87 56.52 2iwi n SER 185 Cb 0.09 -0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.16 2iwi n SER 185 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2iwi s GLY 186 N -1.70 1.57 0.27 5.00 0.00 -1.09 -4.74 107.32 106.63 2iwi s GLY 186 Ca 0.27 -0.47 -0.20 0.00 0.00 0.00 0.00 44.72 44.32 2iwi s GLY 186 CO 0.27 0.12 0.69 0.00 0.00 0.00 0.00 173.10 174.18 2iwi s ALA 187 N -3.14 -1.10 0.07 3.20 0.00 -0.52 -4.93 121.76 115.34 2iwi s ALA 187 Ca 0.65 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 2iwi s ALA 187 Cb -0.16 0.88 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 2iwi s ALA 187 CO 0.55 -1.01 1.42 -0.51 0.00 0.00 0.00 175.76 176.21 2iwi s LEU 188 N -2.93 4.35 0.33 0.00 1.43 -1.26 -0.69 118.68 119.91 2iwi s LEU 188 Ca 0.12 2.27 -0.29 0.00 -1.03 0.00 0.00 54.13 55.20 2iwi s LEU 188 Cb -0.05 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 2iwi s LEU 188 CO 0.07 -0.70 1.39 -1.48 0.23 0.00 0.00 176.35 175.86 2iwi s LEU 189 N 1.71 4.39 0.28 1.79 0.05 0.35 -4.84 118.68 122.41 2iwi s LEU 189 Ca 0.65 2.80 -0.17 0.00 0.05 0.00 0.00 54.13 57.46 2iwi s LEU 189 Cb -0.35 -3.65 0.01 0.00 -2.05 0.00 0.00 46.19 40.15 2iwi s LEU 189 CO 0.29 -0.67 0.64 -1.38 -0.55 0.00 0.00 176.35 174.68 2iwi s HIS 190 N -0.91 0.06 0.14 3.48 -3.43 -1.26 -4.91 115.29 108.45 2iwi s HIS 190 Ca 0.52 -0.50 -0.20 0.00 -0.80 0.00 0.00 55.06 54.08 2iwi s HIS 190 Cb -0.42 0.53 0.01 0.00 -1.43 0.00 0.00 32.58 31.27 2iwi s HIS 190 CO 0.54 -1.19 1.68 0.38 -2.00 0.00 0.00 174.74 174.15 2iwi h ASP 191 N 2.09 -0.36 -3.98 7.38 3.04 -2.05 -3.43 116.42 119.10 2iwi h ASP 191 Ca -0.23 0.09 -0.54 0.00 -3.24 0.00 0.00 57.03 53.11 2iwi h ASP 191 Cb 1.25 0.20 0.11 0.00 -1.04 0.00 0.00 39.33 39.86 2iwi h ASP 191 CO 0.29 -0.14 0.69 -1.83 -2.04 0.00 0.00 179.24 176.22 2iwi s GLU 192 N -6.18 3.72 0.78 4.15 4.04 -1.26 -4.97 118.70 118.98 2iwi s GLU 192 Ca -0.14 2.39 -0.07 0.00 0.04 0.00 0.00 54.97 57.19 2iwi s GLU 192 Cb 0.12 -2.67 0.13 0.00 0.02 0.00 0.00 34.13 31.72 2iwi s GLU 192 CO 0.69 -0.78 1.09 -1.25 -1.84 0.00 0.00 175.26 173.18 2iwi s PRO 193 N -2.42 1.54 0.01 -4.83 0.04 -1.26 -4.88 135.00 123.19 2iwi s PRO 193 Ca 0.60 -0.64 0.04 0.00 0.04 0.00 0.00 61.00 61.04 2iwi s PRO 193 Cb -0.43 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 2iwi s PRO 193 CO 0.55 -1.66 -0.08 0.71 0.04 0.00 0.00 177.00 176.56 2iwi s TYR 194 N -3.39 2.85 -0.18 0.56 1.51 0.09 -4.94 117.35 113.84 2iwi s TYR 194 Ca 0.67 -0.07 0.13 0.00 -1.01 0.00 0.00 57.07 56.79 2iwi s TYR 194 Cb -0.07 -1.59 0.43 0.00 -0.11 0.00 0.00 41.96 40.62 2iwi s TYR 194 CO 0.47 0.36 1.21 0.25 -1.11 0.00 0.00 175.55 176.72 2iwi n THR 195 N 1.57 1.86 -3.71 -0.71 -2.24 -1.26 -2.37 114.28 107.41 2iwi n THR 195 Ca -0.15 -2.96 -0.13 0.00 -2.27 0.00 0.00 64.05 58.53 2iwi n THR 195 Cb 0.52 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 2iwi n THR 195 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2iwi s ASP 196 N -3.08 -0.49 -0.09 3.42 -4.77 -1.26 -4.96 116.67 105.44 2iwi s ASP 196 Ca 0.38 0.92 -0.03 0.00 -3.30 0.00 0.00 52.55 50.52 2iwi s ASP 196 Cb 0.38 0.91 0.05 0.00 -1.09 0.00 0.00 42.92 43.17 2iwi s ASP 196 CO -0.08 -0.16 0.17 0.12 0.70 0.00 0.00 175.17 175.92 2iwi s PHE 197 N 0.41 -0.20 -0.46 2.11 5.36 -1.26 -5.02 117.98 118.92 2iwi s PHE 197 Ca -0.01 0.63 0.23 0.00 -0.96 0.00 0.00 56.93 56.82 2iwi s PHE 197 Cb -0.04 -0.21 0.06 0.00 -0.34 0.00 0.00 43.02 42.49 2iwi s PHE 197 CO -0.01 -0.26 1.04 -0.25 -1.46 0.00 0.00 175.22 174.27 2iwi n ASP 198 N 5.14 0.64 -4.17 6.13 9.92 -1.26 -4.96 116.55 127.99 2iwi n ASP 198 Ca -0.08 0.02 -0.29 0.00 -0.53 0.00 0.00 54.79 53.91 2iwi n ASP 198 Cb 0.50 0.68 0.25 0.00 -0.64 0.00 0.00 41.12 41.91 2iwi n ASP 198 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2iwi s GLY 199 N -3.93 1.51 0.59 0.44 0.00 -1.26 -5.01 107.32 99.66 2iwi s GLY 199 Ca 0.02 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.13 2iwi s GLY 199 CO 0.79 0.34 1.03 -1.59 0.00 0.00 0.00 173.10 173.67 2iwi s THR 200 N -2.56 4.20 0.10 0.90 2.01 -1.26 -4.95 115.64 114.08 2iwi s THR 200 Ca 0.68 0.94 -0.33 0.00 0.31 0.00 0.00 61.69 63.30 2iwi s THR 200 Cb -0.19 -3.56 -0.13 0.00 0.01 0.00 0.00 72.50 68.63 2iwi s THR 200 CO 0.61 -0.71 1.53 -0.09 -0.69 0.00 0.00 174.62 175.27 2iwi h ARG 201 N 0.29 -0.64 -0.73 4.92 9.65 -1.97 -2.45 114.38 123.44 2iwi h ARG 201 Ca -0.46 0.04 0.21 0.00 -1.10 0.00 0.00 59.98 58.68 2iwi h ARG 201 Cb 1.20 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.90 2iwi h ARG 201 CO 0.59 -0.42 0.55 -0.39 2.80 0.00 0.00 179.97 183.10 2iwi h VAL 202 N -0.66 0.57 0.00 0.20 -1.51 -1.89 0.42 116.25 113.38 2iwi h VAL 202 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2iwi h VAL 202 Cb 0.70 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2iwi h VAL 202 CO -0.33 0.00 -0.21 -1.22 -1.23 0.00 0.00 177.57 174.58 2iwi n TYR 203 N -4.21 0.43 -2.39 5.19 4.02 -0.94 -4.81 117.16 114.45 2iwi n TYR 203 Ca 0.15 0.12 -0.35 0.00 -0.01 0.00 0.00 57.90 57.81 2iwi n TYR 203 Cb 0.83 -0.64 -0.02 0.00 -0.02 0.00 0.00 39.34 39.49 2iwi n TYR 203 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2iwi s SER 204 N -3.77 6.10 0.48 7.72 1.04 0.15 -4.87 113.70 120.55 2iwi s SER 204 Ca 0.11 2.09 -0.14 0.00 0.48 0.00 0.00 55.95 58.49 2iwi s SER 204 Cb 0.15 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.63 2iwi s SER 204 CO 0.62 -0.95 0.91 -2.16 0.98 0.00 0.00 173.24 172.63 2iwi s PRO 205 N -3.12 3.87 0.37 4.02 0.04 -1.26 -4.91 135.00 134.01 2iwi s PRO 205 Ca 0.68 0.76 0.06 0.00 0.04 0.00 0.00 61.00 62.55 2iwi s PRO 205 Cb -0.22 -2.23 0.77 0.00 0.04 0.00 0.00 34.50 32.86 2iwi s PRO 205 CO 0.25 -0.20 1.97 -1.00 0.04 0.00 0.00 177.00 178.07 2iwi h PRO 206 N 0.99 0.70 0.00 0.56 0.13 -1.89 -0.33 132.00 132.17 2iwi h PRO 206 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2iwi h PRO 206 Cb 1.19 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2iwi h PRO 206 CO 0.62 0.46 -0.06 1.05 -0.23 0.00 0.00 178.00 179.85 2iwi h GLU 207 N 0.72 0.00 -0.00 0.86 9.09 -1.85 0.21 114.58 123.62 2iwi h GLU 207 Ca 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 2iwi h GLU 207 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 2iwi h GLU 207 CO -0.09 0.06 -0.04 2.35 0.05 0.00 0.00 179.01 181.33 2iwi h TRP 208 N 0.00 0.05 -0.62 2.06 2.91 -1.14 -1.55 115.95 117.65 2iwi h TRP 208 Ca -0.00 -0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.10 2iwi h TRP 208 Cb 0.48 -0.01 -0.08 0.00 -0.51 0.00 0.00 29.16 29.05 2iwi h TRP 208 CO 0.00 0.79 0.21 0.82 -1.03 0.00 0.00 178.44 179.23 2iwi h ILE 209 N -0.71 0.73 0.01 2.65 1.08 -1.16 0.13 117.51 120.23 2iwi h ILE 209 Ca -0.00 -0.13 -0.24 0.00 -0.39 0.00 0.00 64.86 64.09 2iwi h ILE 209 Cb 0.80 0.32 0.02 0.00 -3.07 0.00 0.00 36.82 34.89 2iwi h ILE 209 CO 0.01 0.07 -0.96 -1.28 -0.69 0.00 0.00 178.15 175.30 2iwi h SER 210 N 0.38 0.83 0.00 1.72 0.87 -0.65 -3.40 113.55 113.29 2iwi h SER 210 Ca 0.32 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2iwi h SER 210 Cb 0.42 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2iwi h SER 210 CO -0.34 1.47 0.00 0.54 -0.53 0.00 0.00 176.83 177.98 2iwi n ARG 211 N -3.94 0.00 -4.10 2.24 1.74 -0.59 -5.01 116.66 107.00 2iwi n ARG 211 Ca -0.11 -0.34 -0.31 0.00 -0.77 0.00 0.00 57.85 56.32 2iwi n ARG 211 Cb 0.84 -0.67 -0.03 0.00 -1.02 0.00 0.00 32.46 31.59 2iwi n ARG 211 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2iwi n HIS 212 N -0.04 -1.70 -3.67 -1.55 8.25 0.03 -4.98 115.22 111.55 2iwi n HIS 212 Ca 0.00 0.77 -0.14 0.00 -0.26 0.00 0.00 57.72 58.09 2iwi n HIS 212 Cb 0.23 -3.32 -0.08 0.00 1.12 0.00 0.00 29.99 27.93 2iwi n HIS 212 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2iwi s GLN 213 N -6.78 0.72 -0.20 -0.41 -0.21 -1.21 -4.61 119.66 106.95 2iwi s GLN 213 Ca 0.39 0.53 -0.27 0.00 0.02 0.00 0.00 55.36 56.03 2iwi s GLN 213 Cb -0.21 0.34 0.07 0.00 1.00 0.00 0.00 33.01 34.21 2iwi s GLN 213 CO 0.91 -0.14 0.71 1.52 -2.12 0.00 0.00 175.29 176.18 2iwi s TYR 214 N -0.21 -0.74 0.41 0.91 -0.85 -1.00 -3.69 117.35 112.18 2iwi s TYR 214 Ca -0.04 1.65 -0.06 0.00 -0.52 0.00 0.00 57.07 58.10 2iwi s TYR 214 Cb -0.03 0.32 -0.05 0.00 0.38 0.00 0.00 41.96 42.58 2iwi s TYR 214 CO 0.03 -0.45 0.71 -1.01 -1.52 0.00 0.00 175.55 173.31 2iwi s HIS 215 N -0.13 3.51 0.04 -3.49 3.76 -1.26 -0.74 115.29 116.99 2iwi s HIS 215 Ca -0.03 0.79 -0.33 0.00 -0.15 0.00 0.00 55.06 55.34 2iwi s HIS 215 Cb -0.03 -2.26 -0.18 0.00 1.11 0.00 0.00 32.58 31.22 2iwi s HIS 215 CO 0.04 -0.10 1.40 0.00 -0.85 0.00 0.00 174.74 175.23 2iwi h ALA 216 N 0.84 -1.10 0.37 -1.40 0.00 -1.90 -2.62 119.26 113.46 2iwi h ALA 216 Ca -0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2iwi h ALA 216 Cb 1.20 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2iwi h ALA 216 CO 0.63 -1.06 -0.25 -0.07 0.00 0.00 0.00 179.25 178.50 2iwi h LEU 217 N -1.22 -0.65 -1.49 0.00 3.38 -1.96 0.12 115.31 113.49 2iwi h LEU 217 Ca -0.11 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2iwi h LEU 217 Cb 0.85 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2iwi h LEU 217 CO 0.18 -0.40 -0.26 1.55 0.09 0.00 0.00 178.44 179.61 2iwi h PRO 218 N -0.61 0.00 -0.26 1.13 0.13 -1.92 0.17 132.00 130.63 2iwi h PRO 218 Ca -0.04 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 2iwi h PRO 218 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2iwi h PRO 218 CO 0.02 0.26 -0.52 0.00 -0.23 0.00 0.00 178.00 177.52 2iwi h ALA 219 N 1.74 0.41 -0.46 -0.56 0.00 -1.20 -2.47 119.26 116.73 2iwi h ALA 219 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2iwi h ALA 219 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2iwi h ALA 219 CO 0.03 0.61 0.27 1.15 0.00 0.00 0.00 179.25 181.31 2iwi h THR 220 N 0.57 1.04 -0.27 0.00 2.02 0.71 -1.65 112.91 115.33 2iwi h THR 220 Ca 0.01 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2iwi h THR 220 Cb 1.13 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2iwi h THR 220 CO 0.12 0.10 0.17 0.58 0.37 0.00 0.00 175.52 176.86 2iwi h VAL 221 N 0.54 1.05 -0.52 3.16 2.07 -0.71 -0.21 116.25 121.64 2iwi h VAL 221 Ca 0.19 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.68 2iwi h VAL 221 Cb 0.02 0.67 -0.11 0.00 -1.52 0.00 0.00 31.29 30.36 2iwi h VAL 221 CO -0.09 0.06 -0.32 -0.25 0.02 0.00 0.00 177.57 176.99 2iwi h TRP 222 N 0.35 -0.88 -0.58 1.57 2.91 -1.14 0.41 115.95 118.59 2iwi h TRP 222 Ca 0.10 0.07 0.05 0.00 1.13 0.00 0.00 58.89 60.23 2iwi h TRP 222 Cb -0.03 0.46 -0.05 0.00 -0.51 0.00 0.00 29.16 29.04 2iwi h TRP 222 CO -0.07 -0.38 0.31 0.66 -1.03 0.00 0.00 178.44 177.94 2iwi h SER 223 N -0.19 0.47 -0.44 2.65 4.64 -0.44 0.19 113.55 120.43 2iwi h SER 223 Ca 0.21 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.60 2iwi h SER 223 Cb 0.54 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 2iwi h SER 223 CO -0.62 0.32 0.21 -0.07 -0.87 0.00 0.00 176.83 175.79 2iwi h LEU 224 N 0.60 0.28 -0.46 5.97 3.38 -0.42 0.66 115.31 125.32 2iwi h LEU 224 Ca 0.25 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2iwi h LEU 224 Cb 0.13 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 2iwi h LEU 224 CO -0.16 0.20 -0.43 1.23 0.09 0.00 0.00 178.44 179.37 2iwi h GLY 225 N 0.41 -0.54 1.00 0.83 0.00 0.23 1.08 103.07 106.09 2iwi h GLY 225 Ca 0.20 0.56 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 2iwi h GLY 225 CO -0.15 -0.17 0.37 -2.22 0.00 0.00 0.00 176.54 174.36 2iwi h ILE 226 N -0.30 1.21 0.35 2.60 1.08 -0.06 -1.75 117.51 120.65 2iwi h ILE 226 Ca 0.15 -0.54 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2iwi h ILE 226 Cb 0.58 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 2iwi h ILE 226 CO -0.61 0.24 -0.29 0.25 -0.69 0.00 0.00 178.15 177.05 2iwi h LEU 227 N 0.93 -0.77 -0.45 1.44 5.85 0.19 0.06 115.31 122.56 2iwi h LEU 227 Ca 0.24 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.09 2iwi h LEU 227 Cb 0.05 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2iwi h LEU 227 CO -0.04 -0.43 0.10 0.25 -0.34 0.00 0.00 178.44 177.98 2iwi h LEU 228 N -0.65 0.02 -0.65 2.25 7.12 0.13 -1.08 115.31 122.46 2iwi h LEU 228 Ca -0.03 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.13 2iwi h LEU 228 Cb 0.57 0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.74 2iwi h LEU 228 CO -0.02 0.04 0.32 0.22 -0.13 0.00 0.00 178.44 178.87 2iwi h TYR 229 N 0.23 0.58 -0.22 1.25 5.03 -0.89 -2.24 116.97 120.72 2iwi h TYR 229 Ca 0.22 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.61 2iwi h TYR 229 Cb 0.28 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 2iwi h TYR 229 CO -0.21 0.24 -0.08 0.22 -1.32 0.00 0.00 178.16 177.01 2iwi h ASP 230 N 0.58 -0.27 0.95 -2.11 -0.00 0.22 0.16 116.42 115.94 2iwi h ASP 230 Ca 0.30 0.08 -0.05 0.00 -0.00 0.00 0.00 57.03 57.36 2iwi h ASP 230 Cb 0.27 0.17 0.01 0.00 -0.00 0.00 0.00 39.33 39.77 2iwi h ASP 230 CO -0.23 -0.10 -0.46 0.24 -0.00 0.00 0.00 179.24 178.69 2iwi h MET 231 N -0.03 -1.24 -0.18 0.28 2.86 -0.79 0.67 114.93 116.50 2iwi h MET 231 Ca 0.11 0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.73 2iwi h MET 231 Cb 0.21 0.28 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2iwi h MET 231 CO -0.25 -0.82 -0.34 -0.39 1.06 0.00 0.00 176.91 176.16 2iwi h VAL 232 N -1.28 1.29 0.00 -2.22 -1.51 -1.43 -1.02 116.25 110.07 2iwi h VAL 232 Ca -0.13 -1.41 -0.18 0.00 -1.23 0.00 0.00 66.70 63.75 2iwi h VAL 232 Cb 0.99 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 31.64 2iwi h VAL 232 CO 0.21 0.43 -1.75 0.00 -1.23 0.00 0.00 177.57 175.23 2iwi n GLY 234 N 1.45 0.78 3.63 0.00 0.00 0.23 -4.75 105.19 106.54 2iwi n GLY 234 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2iwi n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2iwi s ASP 235 N -2.05 -0.05 0.72 1.61 -1.08 -1.16 -4.87 116.67 109.79 2iwi s ASP 235 Ca 0.00 0.00 -0.13 0.00 -0.52 0.00 0.00 52.55 51.90 2iwi s ASP 235 Cb 0.00 0.06 0.03 0.00 -1.46 0.00 0.00 42.92 41.55 2iwi s ASP 235 CO 0.00 -0.09 1.11 0.27 0.52 0.00 0.00 175.17 176.98 2iwi s ILE 236 N -2.09 3.13 -0.06 4.11 -4.36 -1.26 -4.01 121.20 116.67 2iwi s ILE 236 Ca 0.11 0.46 -0.24 0.00 -0.26 0.00 0.00 60.65 60.71 2iwi s ILE 236 Cb -0.01 -2.94 -0.25 0.00 1.25 0.00 0.00 42.46 40.51 2iwi s ILE 236 CO -0.03 -0.39 0.98 1.55 0.24 0.00 0.00 174.94 177.29 2iwi h PRO 237 N -0.52 0.18 -6.05 0.37 0.13 -1.92 -3.47 132.00 120.71 2iwi h PRO 237 Ca -0.45 -0.22 -0.67 0.00 -0.87 0.00 0.00 66.00 63.79 2iwi h PRO 237 Cb 1.25 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 2iwi h PRO 237 CO 0.52 0.98 -0.61 -0.06 -0.23 0.00 0.00 178.00 178.60 2iwi s PHE 238 N -2.91 3.18 -0.12 1.56 0.08 -1.26 -4.98 117.98 113.53 2iwi s PHE 238 Ca -0.16 0.16 -0.06 0.00 0.12 0.00 0.00 56.93 56.99 2iwi s PHE 238 Cb 0.00 -1.72 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 2iwi s PHE 238 CO 0.75 0.50 -0.16 -1.91 -0.10 0.00 0.00 175.22 174.31 2iwi n GLU 239 N 1.49 0.26 -4.07 0.44 0.00 -1.26 -4.85 120.64 112.65 2iwi n GLU 239 Ca -0.15 0.11 -0.22 0.00 0.00 0.00 0.00 57.16 56.90 2iwi n GLU 239 Cb 0.53 -0.93 -0.05 0.00 0.00 0.00 0.00 31.44 30.99 2iwi n GLU 239 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2iwi s ARG 240 N -2.23 2.78 0.27 5.31 1.70 -1.26 -4.67 118.95 120.85 2iwi s ARG 240 Ca -0.17 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 2iwi s ARG 240 Cb 0.06 -2.48 0.38 0.00 -0.57 0.00 0.00 34.95 32.34 2iwi s ARG 240 CO 0.21 0.31 1.74 -0.44 -1.08 0.00 0.00 175.30 176.05 2iwi h ASP 241 N 1.48 0.63 -0.63 -2.89 3.32 -1.98 -2.23 116.42 114.13 2iwi h ASP 241 Ca -0.47 -0.18 0.10 0.00 0.02 0.00 0.00 57.03 56.50 2iwi h ASP 241 Cb 1.24 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 2iwi h ASP 241 CO 0.60 0.78 0.24 -0.61 -1.72 0.00 0.00 179.24 178.53 2iwi h GLN 242 N 0.59 0.41 -0.36 3.56 5.75 -1.99 -2.11 115.11 120.97 2iwi h GLN 242 Ca 0.10 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 2iwi h GLN 242 Cb 0.55 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 2iwi h GLN 242 CO 0.03 0.27 -0.31 0.93 -2.65 0.00 0.00 178.83 177.10 2iwi h GLU 243 N 0.42 0.78 -0.10 1.69 5.08 -1.80 -1.32 114.58 119.33 2iwi h GLU 243 Ca 0.32 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2iwi h GLU 243 Cb 0.40 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2iwi h GLU 243 CO -0.31 0.98 -0.01 0.82 -1.00 0.00 0.00 179.01 179.49 2iwi h ILE 244 N 0.66 1.26 0.00 3.13 2.04 -1.18 0.56 117.51 123.98 2iwi h ILE 244 Ca 0.07 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2iwi h ILE 244 Cb 0.85 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2iwi h ILE 244 CO 0.07 0.24 -0.14 -0.07 0.00 0.00 0.00 178.15 178.25 2iwi h LEU 245 N -0.11 0.00 0.00 1.44 3.38 -1.42 -2.74 115.31 115.86 2iwi h LEU 245 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2iwi h LEU 245 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2iwi h LEU 245 CO 0.01 0.14 -0.96 -0.33 0.09 0.00 0.00 178.44 177.38 2iwi h GLU 246 N 0.00 0.00 -3.18 1.13 5.08 -1.10 -3.47 114.58 113.04 2iwi h GLU 246 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 2iwi h GLU 246 Cb 0.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2iwi h GLU 246 CO 0.02 0.01 -0.54 0.00 -1.00 0.00 0.00 179.01 177.51 2iwi n ALA 247 N -2.19 -0.66 -1.73 3.43 0.00 0.19 -4.87 120.51 114.69 2iwi n ALA 247 Ca -0.00 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2iwi n ALA 247 Cb 0.56 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 2iwi n ALA 247 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2iwi s GLU 248 N -5.11 2.42 -0.24 0.00 2.12 -0.89 -4.93 118.70 112.06 2iwi s GLU 248 Ca 0.03 1.23 -0.07 0.00 0.36 0.00 0.00 54.97 56.52 2iwi s GLU 248 Cb -0.01 -4.49 -0.03 0.00 0.26 0.00 0.00 34.13 29.86 2iwi s GLU 248 CO 0.04 -2.93 0.06 -0.51 -0.54 0.00 0.00 175.26 171.37 2iwi s LEU 249 N 10.64 3.45 -0.33 2.70 1.43 -1.26 -4.92 118.68 130.39 2iwi s LEU 249 Ca 0.88 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2iwi s LEU 249 Cb -0.17 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.22 2iwi s LEU 249 CO 0.26 -0.01 0.04 -1.00 0.23 0.00 0.00 176.35 175.87 2iwi s HIS 250 N 1.46 3.54 0.32 0.29 3.76 -1.26 -5.11 115.29 118.29 2iwi s HIS 250 Ca 0.06 -2.55 -0.25 0.00 -0.15 0.00 0.00 55.06 52.17 2iwi s HIS 250 Cb -0.15 -2.63 -0.10 0.00 1.11 0.00 0.00 32.58 30.81 2iwi s HIS 250 CO 0.03 -0.91 0.92 -0.06 -0.85 0.00 0.00 174.74 173.87 2iwi s PHE 251 N 1.05 3.66 0.93 1.40 0.40 -1.26 -5.06 117.98 119.10 2iwi s PHE 251 Ca 0.03 1.73 -0.12 0.00 -0.60 0.00 0.00 56.93 57.97 2iwi s PHE 251 Cb -0.20 -2.88 0.15 0.00 0.51 0.00 0.00 43.02 40.59 2iwi s PHE 251 CO -0.05 0.20 1.12 -1.25 0.70 0.00 0.00 175.22 175.94 2iwi s PRO 252 N -2.12 0.99 0.53 0.24 0.04 -1.26 -4.94 135.00 128.48 2iwi s PRO 252 Ca 0.50 0.36 0.20 0.00 0.04 0.00 0.00 61.00 62.10 2iwi s PRO 252 Cb -0.18 -1.82 1.39 0.00 0.04 0.00 0.00 34.50 33.93 2iwi s PRO 252 CO 0.23 -2.31 2.16 0.00 0.04 0.00 0.00 177.00 177.11 2iwi h ALA 253 N -1.59 1.83 -0.00 8.56 0.00 -2.03 -2.98 119.26 123.04 2iwi h ALA 253 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2iwi h ALA 253 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2iwi h ALA 253 CO 0.61 0.03 -0.43 0.72 0.00 0.00 0.00 179.25 180.17 2iwi n HIS 254 N -4.32 0.00 -2.17 0.00 8.25 -1.26 -4.83 115.22 110.89 2iwi n HIS 254 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 2iwi n HIS 254 Cb 0.11 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 30.94 2iwi n HIS 254 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2iwi s VAL 255 N -2.94 3.80 0.41 1.59 1.01 -1.13 -4.95 120.40 118.18 2iwi s VAL 255 Ca 0.13 0.91 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 2iwi s VAL 255 Cb 0.18 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 2iwi s VAL 255 CO 0.67 -0.29 1.20 -1.54 0.00 0.00 0.00 175.10 175.14 2iwi n SER 256 N 8.06 2.23 -0.31 3.32 3.41 -1.26 -4.69 113.62 124.38 2iwi n SER 256 Ca 0.18 1.11 0.16 0.00 -0.26 0.00 0.00 58.87 60.05 2iwi n SER 256 Cb 0.45 -1.46 0.33 0.00 -0.26 0.00 0.00 64.21 63.28 2iwi n SER 256 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2iwi h PRO 257 N 2.01 0.25 -0.63 4.33 0.11 -1.97 0.77 132.00 136.87 2iwi h PRO 257 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2iwi h PRO 257 Cb 1.30 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2iwi h PRO 257 CO 0.60 0.16 0.13 -0.44 -0.21 0.00 0.00 178.00 178.24 2iwi h ASP 258 N 0.26 0.96 0.22 -2.05 3.32 -2.00 -1.34 116.42 115.78 2iwi h ASP 258 Ca 0.60 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2iwi h ASP 258 Cb 1.24 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2iwi h ASP 258 CO -0.63 0.94 -0.10 0.00 -1.72 0.00 0.00 179.24 177.72 2iwi h ALA 261 N 0.84 1.08 -0.11 0.00 0.00 -1.20 0.01 119.26 119.88 2iwi h ALA 261 Ca 0.21 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2iwi h ALA 261 Cb 0.35 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2iwi h ALA 261 CO -0.58 -0.30 -0.31 1.25 0.00 0.00 0.00 179.25 179.31 2iwi h LEU 262 N 0.34 0.47 -0.54 0.00 5.85 0.28 -1.41 115.31 120.30 2iwi h LEU 262 Ca 0.45 -0.59 0.11 0.00 0.84 0.00 0.00 57.88 58.68 2iwi h LEU 262 Cb 0.76 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 2iwi h LEU 262 CO -0.49 0.98 -0.02 0.40 -0.34 0.00 0.00 178.44 178.97 2iwi h ILE 263 N -0.02 0.55 -0.23 4.05 2.04 -0.66 0.11 117.51 123.34 2iwi h ILE 263 Ca -0.01 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 2iwi h ILE 263 Cb 0.92 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2iwi h ILE 263 CO 0.07 0.02 -0.31 -0.09 0.00 0.00 0.00 178.15 177.84 2iwi h ARG 264 N 0.10 0.47 -0.36 2.37 2.43 -0.97 0.41 114.38 118.83 2iwi h ARG 264 Ca 0.28 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2iwi h ARG 264 Cb 0.43 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 2iwi h ARG 264 CO -0.48 0.73 0.13 0.00 -1.51 0.00 0.00 179.97 178.85 2iwi h ARG 265 N 0.41 0.28 0.00 0.20 3.08 -0.30 -3.15 114.38 114.91 2iwi h ARG 265 Ca 0.05 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 2iwi h ARG 265 Cb 0.75 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2iwi h ARG 265 CO 0.06 0.19 -0.96 0.00 -1.07 0.00 0.00 179.97 178.19 2iwi n LEU 267 N -3.75 6.73 -4.72 0.00 4.77 0.13 -4.01 117.00 116.15 2iwi n LEU 267 Ca -0.07 -4.24 -0.40 0.00 -0.03 0.00 0.00 56.01 51.27 2iwi n LEU 267 Cb 0.84 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 2iwi n LEU 267 CO 0.51 1.77 0.38 0.00 -1.33 0.00 0.00 177.39 178.72 2iwi s ALA 268 N -1.98 3.36 0.14 -1.18 0.00 -1.21 -4.84 121.76 116.06 2iwi s ALA 268 Ca 0.57 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 2iwi s ALA 268 Cb 0.37 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 2iwi s ALA 268 CO -0.23 -0.06 1.79 -1.35 0.00 0.00 0.00 175.76 175.90 2iwi h PRO 269 N 6.60 0.39 -6.46 0.00 0.11 -1.90 -3.40 132.00 127.33 2iwi h PRO 269 Ca -0.42 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.14 2iwi h PRO 269 Cb 1.20 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.23 2iwi h PRO 269 CO 0.75 0.26 0.77 0.15 -0.21 0.00 0.00 178.00 179.71 2iwi s LYS 270 N -6.17 4.31 0.15 1.05 3.01 -1.26 -4.71 119.74 116.13 2iwi s LYS 270 Ca -0.13 2.00 -0.15 0.00 -1.01 0.00 0.00 55.97 56.68 2iwi s LYS 270 Cb 0.10 -3.42 0.03 0.00 -1.01 0.00 0.00 37.83 33.53 2iwi s LYS 270 CO 0.71 -0.49 1.77 -1.35 0.51 0.00 0.00 175.35 176.50 2iwi h PRO 271 N 7.32 0.63 -0.69 -1.68 0.11 -1.97 -2.89 132.00 132.83 2iwi h PRO 271 Ca -0.40 -0.07 0.12 0.00 0.11 0.00 0.00 66.00 65.76 2iwi h PRO 271 Cb 1.20 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 2iwi h PRO 271 CO 0.88 0.49 0.25 1.03 -0.21 0.00 0.00 178.00 180.43 2iwi h SER 272 N 0.61 0.21 -0.41 -2.05 0.87 -1.94 -1.66 113.55 109.17 2iwi h SER 272 Ca 0.16 0.10 0.12 0.00 -1.23 0.00 0.00 61.79 60.94 2iwi h SER 272 Cb 0.03 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2iwi h SER 272 CO -0.03 0.10 0.38 0.28 -0.53 0.00 0.00 176.83 177.03 2iwi h SER 273 N 0.40 0.00 -4.06 6.23 0.02 -1.88 -3.44 113.55 110.83 2iwi h SER 273 Ca 0.37 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.81 2iwi h SER 273 Cb 0.53 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.14 2iwi h SER 273 CO -0.38 0.00 0.46 -0.13 -1.14 0.00 0.00 176.83 175.64 2iwi s ARG 274 N -4.74 3.47 0.97 3.45 0.52 -0.63 -5.00 118.95 117.00 2iwi s ARG 274 Ca -0.05 1.69 -0.14 0.00 -0.52 0.00 0.00 55.73 56.72 2iwi s ARG 274 Cb 0.17 -2.14 0.17 0.00 0.52 0.00 0.00 34.95 33.67 2iwi s ARG 274 CO 0.60 -0.77 1.15 -1.25 0.02 0.00 0.00 175.30 175.06 2iwi s PRO 275 N -3.08 0.63 0.29 3.54 0.04 -1.26 -5.08 135.00 130.08 2iwi s PRO 275 Ca 0.70 0.15 0.08 0.00 0.04 0.00 0.00 61.00 61.97 2iwi s PRO 275 Cb -0.26 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2iwi s PRO 275 CO 0.30 -2.52 0.17 -1.54 0.04 0.00 0.00 177.00 173.45 2iwi s SER 276 N -4.08 5.11 0.20 6.66 1.04 -1.26 -4.92 113.70 116.45 2iwi s SER 276 Ca 0.66 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 56.40 2iwi s SER 276 Cb -0.13 -1.06 0.14 0.00 0.10 0.00 0.00 66.02 65.07 2iwi s SER 276 CO 0.54 -0.15 1.58 -0.07 0.98 0.00 0.00 173.24 176.12 2iwi h LEU 277 N 1.53 -1.26 -0.85 2.42 3.38 -1.98 0.37 115.31 118.93 2iwi h LEU 277 Ca -0.46 0.25 0.18 0.00 0.09 0.00 0.00 57.88 57.94 2iwi h LEU 277 Cb 1.25 0.63 -0.11 0.00 0.09 0.00 0.00 40.66 42.52 2iwi h LEU 277 CO 0.61 -0.30 0.38 -0.33 0.09 0.00 0.00 178.44 178.88 2iwi h GLU 278 N -0.13 0.46 0.00 1.13 3.07 -1.97 -2.20 114.58 114.94 2iwi h GLU 278 Ca 0.25 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.90 2iwi h GLU 278 Cb 0.56 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2iwi h GLU 278 CO -0.76 0.30 -0.86 0.93 -1.40 0.00 0.00 179.01 177.23 2iwi h GLU 279 N 0.47 0.06 -0.17 2.33 3.07 -0.72 -2.12 114.58 117.51 2iwi h GLU 279 Ca 0.49 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.25 2iwi h GLU 279 Cb 0.83 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2iwi h GLU 279 CO -0.45 0.88 -0.03 0.82 -1.40 0.00 0.00 179.01 178.83 2iwi h ILE 280 N 0.03 1.13 -0.09 3.13 2.04 -0.58 0.42 117.51 123.60 2iwi h ILE 280 Ca -0.02 -0.52 -0.23 0.00 1.00 0.00 0.00 64.86 65.09 2iwi h ILE 280 Cb 1.50 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2iwi h ILE 280 CO 0.12 0.17 -0.84 -0.07 0.00 0.00 0.00 178.15 177.53 2iwi h LEU 281 N 0.25 0.89 -1.27 1.44 3.38 -0.84 -2.99 115.31 116.17 2iwi h LEU 281 Ca 0.06 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 2iwi h LEU 281 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2iwi h LEU 281 CO 0.01 1.43 -0.35 -0.07 0.09 0.00 0.00 178.44 179.55 2iwi h LEU 282 N 0.42 0.00 -9.11 1.67 3.38 -1.08 -3.42 115.31 107.16 2iwi h LEU 282 Ca -0.08 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.13 2iwi h LEU 282 Cb 1.48 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.27 2iwi h LEU 282 CO 0.17 0.35 0.50 -0.67 0.09 0.00 0.00 178.44 178.88 2iwi n ASP 283 N -3.91 1.28 -0.33 -0.43 -0.08 0.11 -4.72 116.55 108.47 2iwi n ASP 283 Ca -0.02 1.13 0.28 0.00 -1.51 0.00 0.00 54.79 54.67 2iwi n ASP 283 Cb 0.41 -1.04 0.46 0.00 2.34 0.00 0.00 41.12 43.29 2iwi n ASP 283 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2iwi n PRO 284 N 3.22 -0.02 0.08 -0.67 -0.02 -1.26 0.60 135.00 136.93 2iwi n PRO 284 Ca 0.23 0.81 -0.09 0.00 -2.02 0.00 0.00 63.50 62.43 2iwi n PRO 284 Cb 0.09 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2iwi n PRO 284 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2iwi h TRP 285 N 0.00 0.33 0.00 6.00 7.01 -1.86 -3.26 115.95 124.16 2iwi h TRP 285 Ca 0.58 -0.18 -0.07 0.00 2.11 0.00 0.00 58.89 61.34 2iwi h TRP 285 Cb 1.94 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.96 2iwi h TRP 285 CO -0.00 0.98 -0.33 0.52 -2.79 0.00 0.00 178.44 176.82 2iwi h MET 286 N 0.13 0.00 -6.38 2.65 2.86 -0.12 -3.40 114.93 110.67 2iwi h MET 286 Ca -0.04 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.03 2iwi h MET 286 Cb 1.48 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.10 2iwi h MET 286 CO 0.13 0.33 1.03 -0.65 1.06 0.00 0.00 176.91 178.81 2iwi s GLN 287 N -4.00 3.80 0.00 1.72 -1.52 -1.19 -5.04 119.66 113.43 2iwi s GLN 287 Ca -0.02 1.26 0.00 0.00 -1.95 0.00 0.00 55.36 54.65 2iwi s GLN 287 Cb 0.13 -3.95 0.00 0.00 -0.22 0.00 0.00 33.01 28.97 2iwi s GLN 287 CO 0.69 -1.27 0.00 2.41 -0.25 0.00 0.00 175.29 176.86