#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwo n PRO 5 N 0.00 2.16 -0.10 0.00 -0.02 -1.26 -4.79 135.00 131.00 3iwo n PRO 5 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3iwo n PRO 5 Cb 0.00 -2.37 0.28 0.00 -0.02 0.00 0.00 33.50 31.39 3iwo n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3iwo h GLN 6 N 3.00 0.74 -0.53 -0.52 4.15 -2.05 -0.91 115.11 118.99 3iwo h GLN 6 Ca -0.46 -0.09 0.08 0.00 0.77 0.00 0.00 58.65 58.94 3iwo h GLN 6 Cb 1.28 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.76 3iwo h GLN 6 CO 0.66 0.59 0.19 0.37 -1.93 0.00 0.00 178.83 178.70 3iwo h GLN 7 N 0.74 0.35 0.13 1.69 4.15 -1.99 0.23 115.11 120.41 3iwo h GLN 7 Ca 0.18 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3iwo h GLN 7 Cb 0.10 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3iwo h GLN 7 CO -0.02 0.23 -0.06 0.82 -1.93 0.00 0.00 178.83 177.87 3iwo h ILE 8 N 0.36 1.03 -0.52 2.39 2.04 -1.74 -1.96 117.51 119.11 3iwo h ILE 8 Ca 0.26 -0.76 0.09 0.00 1.00 0.00 0.00 64.86 65.45 3iwo h ILE 8 Cb 0.29 1.49 -0.10 0.00 -0.74 0.00 0.00 36.82 37.76 3iwo h ILE 8 CO -0.27 0.18 -0.34 -1.13 0.00 0.00 0.00 178.15 176.59 3iwo h ASN 9 N -0.55 -1.17 0.12 1.72 -1.24 -0.94 -1.70 115.58 111.82 3iwo h ASN 9 Ca -0.02 0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 3iwo h ASN 9 Cb 0.43 0.56 0.00 0.00 0.73 0.00 0.00 38.32 40.04 3iwo h ASN 9 CO 0.03 -0.31 -0.06 0.44 -1.29 0.00 0.00 177.43 176.24 3iwo h ASP 10 N -0.20 -0.13 -0.89 1.15 3.32 -0.52 -1.17 116.42 117.97 3iwo h ASP 10 Ca 0.20 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3iwo h ASP 10 Cb 0.55 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3iwo h ASP 10 CO -0.63 0.10 0.50 -0.29 -1.72 0.00 0.00 179.24 177.20 3iwo h ILE 11 N -0.36 1.25 0.43 0.35 6.09 -1.26 0.19 117.51 124.21 3iwo h ILE 11 Ca -0.02 -0.61 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 3iwo h ILE 11 Cb 0.30 0.03 0.00 0.00 0.47 0.00 0.00 36.82 37.62 3iwo h ILE 11 CO 0.03 0.28 -0.21 0.58 -3.07 0.00 0.00 178.15 175.76 3iwo h VAL 12 N 1.24 0.54 -0.73 2.19 2.07 -1.24 -2.27 116.25 118.05 3iwo h VAL 12 Ca 0.32 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3iwo h VAL 12 Cb 0.00 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3iwo h VAL 12 CO -0.05 0.06 0.35 0.45 0.02 0.00 0.00 177.57 178.40 3iwo h HIS 13 N -0.81 1.05 0.00 1.57 3.86 -1.16 -0.23 115.15 119.43 3iwo h HIS 13 Ca -0.06 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3iwo h HIS 13 Cb 0.55 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3iwo h HIS 13 CO 0.00 0.77 0.00 0.00 0.86 0.00 0.00 177.93 179.56 3iwo h ARG 14 N 1.02 0.00 0.04 2.45 3.08 -0.98 -2.03 114.38 117.96 3iwo h ARG 14 Ca 0.25 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.97 3iwo h ARG 14 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3iwo h ARG 14 CO -0.03 0.00 -1.85 2.41 -1.07 0.00 0.00 179.97 179.43 3iwo n THR 15 N -2.91 1.60 0.11 2.04 -1.04 -0.86 -4.54 114.28 108.68 3iwo n THR 15 Ca -0.00 -0.34 -0.20 0.00 -2.04 0.00 0.00 64.05 61.47 3iwo n THR 15 Cb 0.21 -1.85 -0.13 0.00 -1.82 0.00 0.00 70.33 66.74 3iwo n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3iwo h ILE 16 N -0.58 1.35 -0.35 12.58 1.08 -1.01 -3.09 117.51 127.51 3iwo h ILE 16 Ca -0.46 -2.68 0.04 0.00 -0.39 0.00 0.00 64.86 61.36 3iwo h ILE 16 Cb 1.64 2.81 -0.03 0.00 -3.07 0.00 0.00 36.82 38.17 3iwo h ILE 16 CO -0.15 0.80 0.14 0.74 -0.69 0.00 0.00 178.15 178.99 3iwo h THR 17 N 0.19 0.93 -0.35 -0.27 2.02 -1.58 0.45 112.91 114.29 3iwo h THR 17 Ca -0.18 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 3iwo h THR 17 Cb 1.95 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 3iwo h THR 17 CO 0.23 0.05 -0.07 -0.65 0.37 0.00 0.00 175.52 175.46 3iwo h PRO 18 N 0.29 0.58 -0.06 6.66 0.11 -1.80 -2.04 132.00 135.74 3iwo h PRO 18 Ca 0.15 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3iwo h PRO 18 Cb 0.11 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3iwo h PRO 18 CO -0.14 0.65 0.04 1.25 -0.21 0.00 0.00 178.00 179.59 3iwo h LEU 19 N 0.54 0.08 -0.79 2.35 5.85 -1.27 -0.16 115.31 121.91 3iwo h LEU 19 Ca 0.11 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3iwo h LEU 19 Cb 0.45 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 3iwo h LEU 19 CO 0.02 0.14 0.48 0.40 -0.34 0.00 0.00 178.44 179.14 3iwo h ILE 20 N 0.01 1.01 0.08 4.05 2.04 -0.79 -0.53 117.51 123.39 3iwo h ILE 20 Ca 0.02 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3iwo h ILE 20 Cb 0.08 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3iwo h ILE 20 CO -0.00 0.16 -0.04 -0.33 0.00 0.00 0.00 178.15 177.93 3iwo h GLU 21 N 0.87 -0.11 -0.63 2.37 5.08 -1.18 -1.14 114.58 119.85 3iwo h GLU 21 Ca 0.35 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3iwo h GLU 21 Cb 0.18 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3iwo h GLU 21 CO -0.18 0.13 0.18 1.96 -1.00 0.00 0.00 179.01 180.10 3iwo h GLN 22 N -0.34 0.99 -0.01 2.33 4.20 -0.77 -2.99 115.11 118.51 3iwo h GLN 22 Ca -0.01 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3iwo h GLN 22 Cb 0.29 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3iwo h GLN 22 CO 0.02 0.88 -0.15 1.04 -0.67 0.00 0.00 178.83 179.95 3iwo n GLN 23 N -4.35 1.28 -3.88 1.46 1.13 -0.23 -4.97 117.38 107.82 3iwo n GLN 23 Ca 0.04 -0.79 -0.26 0.00 -1.94 0.00 0.00 57.00 54.04 3iwo n GLN 23 Cb 0.23 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.09 3iwo n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3iwo n LYS 24 N -0.17 -3.04 -2.85 -1.09 5.02 -0.48 -4.94 118.16 110.61 3iwo n LYS 24 Ca 0.15 0.43 -0.41 0.00 -2.02 0.00 0.00 58.31 56.46 3iwo n LYS 24 Cb 0.37 -4.49 -0.04 0.00 -0.02 0.00 0.00 35.03 30.86 3iwo n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iwo s ILE 25 N -3.84 4.89 0.17 -0.18 1.01 -0.89 -4.96 121.20 117.40 3iwo s ILE 25 Ca 0.09 1.75 -0.10 0.00 0.00 0.00 0.00 60.65 62.39 3iwo s ILE 25 Cb -0.04 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.31 3iwo s ILE 25 CO 0.88 0.08 1.64 -0.65 0.00 0.00 0.00 174.94 176.90 3iwo h PRO 26 N 7.09 1.01 -2.84 2.79 0.11 -1.88 -3.46 132.00 134.82 3iwo h PRO 26 Ca -0.34 -0.30 -0.11 0.00 0.11 0.00 0.00 66.00 65.36 3iwo h PRO 26 Cb 1.16 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 31.96 3iwo h PRO 26 CO 0.81 0.98 -0.21 0.20 -0.21 0.00 0.00 178.00 179.57 3iwo s GLY 27 N -3.48 -0.24 -0.05 -0.55 0.00 -1.22 -0.16 107.32 101.62 3iwo s GLY 27 Ca -0.12 0.64 -0.15 0.00 0.00 0.00 0.00 44.72 45.09 3iwo s GLY 27 CO 0.84 0.43 0.33 -0.29 0.00 0.00 0.00 173.10 174.41 3iwo s MET 28 N -0.95 0.61 -0.03 2.90 1.75 -0.54 -2.50 119.30 120.54 3iwo s MET 28 Ca -0.10 0.00 0.03 0.00 -1.25 0.00 0.00 55.69 54.38 3iwo s MET 28 Cb -0.04 0.28 -0.00 0.00 2.84 0.00 0.00 34.83 37.91 3iwo s MET 28 CO 0.04 -0.15 -0.13 0.00 -0.65 0.00 0.00 175.02 174.13 3iwo s ALA 29 N -0.92 1.21 0.01 4.11 0.00 -0.03 -0.76 121.76 125.37 3iwo s ALA 29 Ca -0.10 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.39 3iwo s ALA 29 Cb -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3iwo s ALA 29 CO 0.03 0.22 -0.18 0.08 0.00 0.00 0.00 175.76 175.91 3iwo s VAL 30 N 0.09 1.40 -0.06 0.00 1.01 0.22 -0.87 120.40 122.18 3iwo s VAL 30 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3iwo s VAL 30 Cb -0.10 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 3iwo s VAL 30 CO 0.01 0.26 -0.19 0.00 0.00 0.00 0.00 175.10 175.19 3iwo s ALA 31 N -0.60 1.70 -0.15 5.51 0.00 -0.38 -0.72 121.76 127.13 3iwo s ALA 31 Ca 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 3iwo s ALA 31 Cb -0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3iwo s ALA 31 CO 0.00 0.27 -0.02 0.08 0.00 0.00 0.00 175.76 176.09 3iwo s VAL 32 N 0.20 4.08 -0.30 0.00 1.01 -0.16 -1.16 120.40 124.06 3iwo s VAL 32 Ca -0.09 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 3iwo s VAL 32 Cb -0.14 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3iwo s VAL 32 CO 0.04 0.50 0.18 -0.63 0.00 0.00 0.00 175.10 175.20 3iwo s ILE 33 N 0.19 5.02 -0.09 2.22 1.09 0.73 -0.49 121.20 129.86 3iwo s ILE 33 Ca -0.01 -0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 3iwo s ILE 33 Cb -0.13 -3.48 0.02 0.00 -1.06 0.00 0.00 42.46 37.81 3iwo s ILE 33 CO 0.02 0.14 -0.08 -0.47 -0.10 0.00 0.00 174.94 174.46 3iwo s TYR 34 N 1.70 1.36 -1.70 3.97 5.04 -0.31 -1.37 117.35 126.03 3iwo s TYR 34 Ca 0.06 -0.60 -0.18 0.00 -2.44 0.00 0.00 57.07 53.91 3iwo s TYR 34 Cb -0.17 -1.11 0.16 0.00 0.35 0.00 0.00 41.96 41.19 3iwo s TYR 34 CO 0.09 -0.41 0.79 1.04 -1.34 0.00 0.00 175.55 175.72 3iwo n GLN 35 N 4.56 -3.21 -0.20 4.97 6.02 -1.07 -1.51 117.38 126.95 3iwo n GLN 35 Ca -0.16 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3iwo n GLN 35 Cb 0.51 -5.10 0.00 0.00 1.02 0.00 0.00 30.24 26.67 3iwo n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwo n GLY 36 N -1.41 1.96 3.59 1.08 0.00 -1.02 -5.04 105.19 104.34 3iwo n GLY 36 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3iwo n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwo s LYS 37 N -0.23 2.89 0.15 1.61 1.02 -0.57 -5.00 119.74 119.61 3iwo s LYS 37 Ca 0.00 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.29 3iwo s LYS 37 Cb 0.00 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.58 3iwo s LYS 37 CO 0.00 0.63 0.63 -1.25 -0.92 0.00 0.00 175.35 174.43 3iwo s PRO 38 N -0.70 4.18 -0.08 -1.68 0.04 -1.26 -1.17 135.00 134.33 3iwo s PRO 38 Ca 0.11 0.74 0.03 0.00 0.04 0.00 0.00 61.00 61.91 3iwo s PRO 38 Cb -0.11 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.40 3iwo s PRO 38 CO 0.02 0.51 -0.15 0.71 0.04 0.00 0.00 177.00 178.13 3iwo s TYR 39 N -1.35 1.77 0.02 0.56 1.51 0.35 -4.98 117.35 115.24 3iwo s TYR 39 Ca 0.36 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3iwo s TYR 39 Cb -0.18 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 3iwo s TYR 39 CO 0.20 -0.34 -0.04 0.71 -1.11 0.00 0.00 175.55 174.97 3iwo s TYR 40 N 0.65 2.95 -0.02 2.71 2.02 -1.26 -0.99 117.35 123.42 3iwo s TYR 40 Ca -0.14 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3iwo s TYR 40 Cb -0.16 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 3iwo s TYR 40 CO 0.04 0.42 0.03 -0.06 -1.57 0.00 0.00 175.55 174.41 3iwo s PHE 41 N -1.07 -0.02 0.07 2.71 0.40 0.11 -5.01 117.98 115.16 3iwo s PHE 41 Ca 0.19 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 3iwo s PHE 41 Cb -0.11 -0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.33 3iwo s PHE 41 CO 0.10 -0.04 -0.08 0.95 0.70 0.00 0.00 175.22 176.85 3iwo s THR 42 N 0.37 0.66 0.00 0.64 -4.23 -1.26 -0.61 115.64 111.20 3iwo s THR 42 Ca -0.03 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3iwo s THR 42 Cb -0.04 -1.04 -0.01 0.00 1.34 0.00 0.00 72.50 72.75 3iwo s THR 42 CO -0.01 -0.54 0.06 0.26 -0.54 0.00 0.00 174.62 173.85 3iwo s TRP 43 N -2.17 0.09 0.00 3.99 0.51 0.06 -5.01 118.94 116.41 3iwo s TRP 43 Ca -0.01 -0.20 0.00 0.00 -2.12 0.00 0.00 56.10 53.77 3iwo s TRP 43 Cb -0.05 -0.08 0.00 0.00 -0.81 0.00 0.00 33.47 32.53 3iwo s TRP 43 CO -0.01 -0.20 0.00 0.41 -0.51 0.00 0.00 176.95 176.64 3iwo n GLY 44 N 1.86 0.29 3.20 0.98 0.00 -1.26 -1.47 105.19 108.79 3iwo n GLY 44 Ca -0.21 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 3iwo n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwo s TYR 45 N 0.00 2.64 0.19 1.61 1.51 0.78 -1.13 117.35 122.95 3iwo s TYR 45 Ca 0.00 -1.19 -0.03 0.00 -1.01 0.00 0.00 57.07 54.83 3iwo s TYR 45 Cb 0.00 -1.78 0.11 0.00 -0.11 0.00 0.00 41.96 40.18 3iwo s TYR 45 CO 0.00 -0.52 1.51 0.00 -1.11 0.00 0.00 175.55 175.43 3iwo h ALA 46 N 7.07 0.70 -2.83 3.71 0.00 -0.97 -3.23 119.26 123.72 3iwo h ALA 46 Ca -0.27 -0.50 -0.43 0.00 0.00 0.00 0.00 54.91 53.70 3iwo h ALA 46 Cb 1.21 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.52 3iwo h ALA 46 CO 0.52 0.68 -0.72 0.34 0.00 0.00 0.00 179.25 180.08 3iwo s ASP 47 N -6.91 2.33 0.10 0.00 -1.08 -0.95 -1.29 116.67 108.86 3iwo s ASP 47 Ca -0.07 -0.67 -0.19 0.00 -0.52 0.00 0.00 52.55 51.10 3iwo s ASP 47 Cb 0.11 -0.08 -0.07 0.00 -1.46 0.00 0.00 42.92 41.42 3iwo s ASP 47 CO 0.84 -0.37 1.63 0.40 0.52 0.00 0.00 175.17 178.20 3iwo h ILE 48 N 6.38 1.17 -0.65 4.11 2.04 -1.85 -0.51 117.51 128.21 3iwo h ILE 48 Ca -0.16 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3iwo h ILE 48 Cb 1.12 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3iwo h ILE 48 CO 0.32 0.18 0.12 0.00 0.00 0.00 0.00 178.15 178.77 3iwo h ALA 49 N 0.93 0.86 -0.22 1.87 0.00 -1.97 -2.56 119.26 118.17 3iwo h ALA 49 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iwo h ALA 49 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3iwo h ALA 49 CO -0.01 0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.49 3iwo n LYS 50 N -4.26 1.79 -3.72 0.00 5.02 -1.20 -4.95 118.16 110.84 3iwo n LYS 50 Ca 0.04 -1.20 -0.28 0.00 -2.02 0.00 0.00 58.31 54.85 3iwo n LYS 50 Cb 0.28 -1.38 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3iwo n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3iwo n LYS 51 N 0.43 -4.90 -3.22 1.97 5.02 -0.31 -4.95 118.16 112.20 3iwo n LYS 51 Ca 0.16 0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 56.65 3iwo n LYS 51 Cb 0.34 -5.44 -0.06 0.00 -0.02 0.00 0.00 35.03 29.85 3iwo n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iwo s GLN 52 N -6.42 4.25 0.65 1.97 -1.52 -0.57 -4.97 119.66 113.05 3iwo s GLN 52 Ca 0.58 0.50 -0.12 0.00 -1.95 0.00 0.00 55.36 54.37 3iwo s GLN 52 Cb -0.29 -3.52 -0.01 0.00 -0.22 0.00 0.00 33.01 28.96 3iwo s GLN 52 CO 0.72 -0.07 1.05 -1.25 -0.25 0.00 0.00 175.29 175.48 3iwo s PRO 53 N 1.37 3.18 0.16 2.91 0.04 -1.26 -0.53 135.00 140.87 3iwo s PRO 53 Ca 0.27 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 3iwo s PRO 53 Cb -0.16 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 3iwo s PRO 53 CO 0.11 -0.90 1.16 0.08 0.04 0.00 0.00 177.00 177.49 3iwo s VAL 54 N -2.91 3.74 0.43 -0.36 1.01 -0.28 -4.13 120.40 117.90 3iwo s VAL 54 Ca 0.59 1.44 0.04 0.00 0.00 0.00 0.00 61.98 64.05 3iwo s VAL 54 Cb -0.14 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3iwo s VAL 54 CO 0.49 0.22 0.13 0.42 0.00 0.00 0.00 175.10 176.36 3iwo s THR 55 N 0.05 0.60 -0.72 3.92 -4.23 -1.26 -4.67 115.64 109.33 3iwo s THR 55 Ca 0.52 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.22 3iwo s THR 55 Cb -0.31 -2.29 0.18 0.00 1.34 0.00 0.00 72.50 71.43 3iwo s THR 55 CO 0.35 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 176.01 3iwo n GLN 56 N -0.97 0.10 0.00 3.99 6.02 -1.26 -2.39 117.38 122.87 3iwo n GLN 56 Ca -0.08 0.35 0.12 0.00 -0.01 0.00 0.00 57.00 57.38 3iwo n GLN 56 Cb 0.65 -1.70 0.06 0.00 1.02 0.00 0.00 30.24 30.27 3iwo n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iwo n GLN 57 N -1.89 1.88 -2.21 -1.09 3.00 -1.26 -3.85 117.38 111.95 3iwo n GLN 57 Ca 0.03 -1.55 -0.41 0.00 -0.01 0.00 0.00 57.00 55.05 3iwo n GLN 57 Cb 0.19 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.94 3iwo n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3iwo s THR 58 N -2.19 3.21 -0.03 5.09 2.01 -1.00 -4.87 115.64 117.86 3iwo s THR 58 Ca 0.24 0.99 -0.20 0.00 0.31 0.00 0.00 61.69 63.04 3iwo s THR 58 Cb 0.19 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3iwo s THR 58 CO 0.41 0.15 0.56 -0.76 -0.69 0.00 0.00 174.62 174.29 3iwo s LEU 59 N -0.08 4.39 0.11 4.42 1.43 0.59 -4.11 118.68 125.43 3iwo s LEU 59 Ca 0.57 1.08 0.11 0.00 -1.03 0.00 0.00 54.13 54.86 3iwo s LEU 59 Cb -0.37 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3iwo s LEU 59 CO 0.38 0.09 -0.27 -0.36 0.23 0.00 0.00 176.35 176.42 3iwo s PHE 60 N -0.06 2.30 -0.07 0.29 0.40 -0.36 -1.82 117.98 118.66 3iwo s PHE 60 Ca 0.30 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 3iwo s PHE 60 Cb -0.17 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 3iwo s PHE 60 CO 0.16 0.30 1.38 -1.21 0.70 0.00 0.00 175.22 176.55 3iwo s GLU 61 N -1.91 4.26 0.45 0.44 2.02 -1.26 -1.74 118.70 120.95 3iwo s GLU 61 Ca 0.13 1.88 0.24 0.00 0.02 0.00 0.00 54.97 57.24 3iwo s GLU 61 Cb -0.10 -3.70 0.44 0.00 0.10 0.00 0.00 34.13 30.87 3iwo s GLU 61 CO 0.05 -0.65 1.65 -0.07 0.02 0.00 0.00 175.26 176.26 3iwo h LEU 62 N 9.08 0.00 0.00 1.80 3.38 -1.48 -3.43 115.31 124.66 3iwo h LEU 62 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3iwo h LEU 62 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3iwo h LEU 62 CO 0.93 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.08 3iwo n GLY 63 N 0.99 3.39 0.01 0.83 0.00 -1.25 -2.07 105.19 107.09 3iwo n GLY 63 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3iwo n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iwo n SER 64 N 4.05 0.06 0.32 1.61 7.64 -1.26 -0.88 113.62 125.16 3iwo n SER 64 Ca 0.00 0.51 0.20 0.00 1.01 0.00 0.00 58.87 60.60 3iwo n SER 64 Cb 0.00 -0.53 1.11 0.00 -1.01 0.00 0.00 64.21 63.78 3iwo n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iwo h VAL 65 N 0.00 0.12 -0.09 0.44 2.07 -1.47 -1.16 116.25 116.16 3iwo h VAL 65 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3iwo h VAL 65 Cb 0.25 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3iwo h VAL 65 CO 0.00 0.00 0.07 0.28 0.02 0.00 0.00 177.57 177.94 3iwo h SER 66 N 0.00 0.00 -0.13 0.57 0.02 -1.19 -1.72 113.55 111.09 3iwo h SER 66 Ca 0.01 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3iwo h SER 66 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3iwo h SER 66 CO -0.00 0.00 0.13 0.11 -1.14 0.00 0.00 176.83 175.93 3iwo h LYS 67 N 0.00 0.00 -0.47 3.45 1.57 -1.37 -0.79 116.57 118.96 3iwo h LYS 67 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3iwo h LYS 67 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3iwo h LYS 67 CO -0.00 0.00 -0.11 1.79 -0.57 0.00 0.00 179.45 180.56 3iwo h THR 68 N 0.00 1.26 -0.21 -0.16 1.35 -1.49 0.04 112.91 113.71 3iwo h THR 68 Ca 0.06 -1.20 -0.06 0.00 -0.55 0.00 0.00 66.41 64.66 3iwo h THR 68 Cb 0.31 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3iwo h THR 68 CO -0.00 0.41 -0.12 -0.26 -0.25 0.00 0.00 175.52 175.30 3iwo h PHE 69 N 0.77 0.53 -0.59 4.73 0.04 -1.31 -2.08 116.94 119.03 3iwo h PHE 69 Ca 0.13 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3iwo h PHE 69 Cb 0.61 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 3iwo h PHE 69 CO 0.03 0.75 0.37 1.15 -0.60 0.00 0.00 178.31 180.02 3iwo h THR 70 N 0.15 1.10 -0.79 -1.55 2.02 -1.29 0.26 112.91 112.82 3iwo h THR 70 Ca 0.04 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.00 3iwo h THR 70 Cb 0.62 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 3iwo h THR 70 CO 0.03 0.14 0.50 1.23 0.37 0.00 0.00 175.52 177.79 3iwo h GLY 71 N 0.74 1.14 1.38 2.16 0.00 -0.96 -0.28 103.07 107.26 3iwo h GLY 71 Ca 0.23 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 3iwo h GLY 71 CO -0.08 0.31 -0.73 -2.08 0.00 0.00 0.00 176.54 173.97 3iwo h VAL 72 N 0.96 1.32 -0.42 4.60 2.07 -1.08 0.07 116.25 123.77 3iwo h VAL 72 Ca 0.32 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 3iwo h VAL 72 Cb 0.03 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3iwo h VAL 72 CO -0.12 0.63 0.26 0.25 0.02 0.00 0.00 177.57 178.60 3iwo h LEU 73 N 0.42 0.51 -0.67 2.57 5.85 -0.74 0.13 115.31 123.38 3iwo h LEU 73 Ca -0.04 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3iwo h LEU 73 Cb 1.33 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3iwo h LEU 73 CO 0.14 0.41 0.39 1.23 -0.34 0.00 0.00 178.44 180.27 3iwo h GLY 74 N 0.56 0.98 1.00 3.75 0.00 -0.94 -1.68 103.07 106.74 3iwo h GLY 74 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3iwo h GLY 74 CO -0.03 0.19 0.34 -1.33 0.00 0.00 0.00 176.54 175.71 3iwo h GLY 75 N 0.73 0.99 1.44 4.60 0.00 -0.44 -1.43 103.07 108.96 3iwo h GLY 75 Ca 0.29 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 3iwo h GLY 75 CO -0.16 0.45 0.15 -1.80 0.00 0.00 0.00 176.54 175.18 3iwo h ASP 76 N 0.89 0.66 -0.14 0.19 3.58 -0.41 -1.43 116.42 119.76 3iwo h ASP 76 Ca 0.23 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 3iwo h ASP 76 Cb 0.08 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 3iwo h ASP 76 CO -0.03 0.63 -0.30 0.00 -2.88 0.00 0.00 179.24 176.66 3iwo h ALA 77 N 1.46 0.92 -0.43 -0.78 0.00 -0.35 -0.02 119.26 120.05 3iwo h ALA 77 Ca 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3iwo h ALA 77 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3iwo h ALA 77 CO -0.01 0.62 0.12 0.82 0.00 0.00 0.00 179.25 180.80 3iwo h ILE 78 N 0.53 1.23 -0.14 0.00 2.04 -1.04 -1.86 117.51 118.28 3iwo h ILE 78 Ca 0.06 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 3iwo h ILE 78 Cb 0.79 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3iwo h ILE 78 CO 0.06 0.27 -0.26 0.00 0.00 0.00 0.00 178.15 178.23 3iwo h ALA 79 N 0.97 1.32 0.00 1.87 0.00 -0.91 -1.76 119.26 120.75 3iwo h ALA 79 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iwo h ALA 79 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iwo h ALA 79 CO -0.00 0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.26 3iwo n ARG 80 N -4.16 0.09 -1.00 0.00 1.74 -0.05 -4.90 116.66 108.39 3iwo n ARG 80 Ca -0.01 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3iwo n ARG 80 Cb 0.37 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3iwo n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iwo n GLY 81 N 0.18 0.49 0.15 -0.13 0.00 -0.66 -4.94 105.19 100.28 3iwo n GLY 81 Ca 0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 3iwo n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwo h GLU 82 N 0.93 0.43 -4.57 1.61 5.08 -1.57 -3.47 114.58 113.02 3iwo h GLU 82 Ca 0.00 -0.52 -0.22 0.00 -1.00 0.00 0.00 59.36 57.62 3iwo h GLU 82 Cb 0.00 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.26 3iwo h GLU 82 CO 0.00 1.17 -0.67 0.96 -1.00 0.00 0.00 179.01 179.48 3iwo s ILE 83 N -3.14 0.42 0.02 3.13 -4.36 -1.20 -4.83 121.20 111.25 3iwo s ILE 83 Ca -0.06 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 3iwo s ILE 83 Cb 0.08 -1.95 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 3iwo s ILE 83 CO 0.88 -0.60 -0.15 -0.54 0.24 0.00 0.00 174.94 174.77 3iwo s LYS 84 N -3.95 1.10 0.50 0.37 1.02 -1.26 -4.24 119.74 113.29 3iwo s LYS 84 Ca 0.20 -0.70 0.28 0.00 0.02 0.00 0.00 55.97 55.78 3iwo s LYS 84 Cb 0.07 -1.11 1.28 0.00 -0.52 0.00 0.00 37.83 37.55 3iwo s LYS 84 CO -0.00 0.29 1.98 -0.07 -0.92 0.00 0.00 175.35 176.62 3iwo h LEU 85 N 5.25 0.00 0.00 3.17 3.38 -1.98 -2.06 115.31 123.06 3iwo h LEU 85 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3iwo h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3iwo h LEU 85 CO 0.46 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 177.58 3iwo n SER 86 N -3.40 0.00 -4.76 -0.43 3.41 -1.26 -1.36 113.62 105.82 3iwo n SER 86 Ca -0.01 0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 58.54 3iwo n SER 86 Cb 0.32 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3iwo n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3iwo s ASP 87 N -2.89 6.90 0.52 4.04 1.01 -0.78 -4.84 116.67 120.63 3iwo s ASP 87 Ca 0.16 2.57 -0.22 0.00 0.71 0.00 0.00 52.55 55.76 3iwo s ASP 87 Cb 0.17 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 3iwo s ASP 87 CO 0.45 -0.44 1.31 -2.84 0.21 0.00 0.00 175.17 173.86 3iwo s PRO 88 N -1.61 3.35 0.29 8.23 0.02 -1.26 -1.60 135.00 142.42 3iwo s PRO 88 Ca 0.48 2.12 0.03 0.00 0.02 0.00 0.00 61.00 63.65 3iwo s PRO 88 Cb -0.38 -2.33 0.66 0.00 0.02 0.00 0.00 34.50 32.48 3iwo s PRO 88 CO 0.49 -0.99 1.77 1.15 -0.33 0.00 0.00 177.00 179.09 3iwo h THR 89 N 1.62 0.70 0.00 0.99 2.02 -1.44 -2.18 112.91 114.62 3iwo h THR 89 Ca -0.50 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3iwo h THR 89 Cb 1.28 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3iwo h THR 89 CO 0.58 0.13 -0.02 0.71 0.37 0.00 0.00 175.52 177.29 3iwo h THR 90 N 0.70 0.21 -0.78 3.16 1.35 -1.83 -1.82 112.91 113.90 3iwo h THR 90 Ca 0.54 -0.12 0.03 0.00 -0.55 0.00 0.00 66.41 66.31 3iwo h THR 90 Cb 0.82 1.10 -0.04 0.00 -1.73 0.00 0.00 68.15 68.29 3iwo h THR 90 CO -0.38 0.02 0.51 0.50 -0.25 0.00 0.00 175.52 175.92 3iwo h LYS 91 N 0.00 0.93 -0.00 4.72 3.64 -1.76 -2.86 116.57 121.23 3iwo h LYS 91 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3iwo h LYS 91 Cb 0.09 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3iwo h LYS 91 CO 0.00 0.61 -0.92 0.66 -2.27 0.00 0.00 179.45 177.54 3iwo n TYR 92 N -4.45 0.00 -3.42 1.91 4.02 -0.72 -4.63 117.16 109.87 3iwo n TYR 92 Ca 0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.72 3iwo n TYR 92 Cb 0.12 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.32 3iwo n TYR 92 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3iwo s TRP 93 N -2.94 1.15 0.42 -0.72 -0.11 -0.99 -5.01 118.94 110.73 3iwo s TRP 93 Ca 0.09 -2.29 0.30 0.00 1.22 0.00 0.00 56.10 55.43 3iwo s TRP 93 Cb 0.16 -1.00 1.57 0.00 -1.50 0.00 0.00 33.47 32.71 3iwo s TRP 93 CO 0.83 -0.82 2.11 -1.35 -4.62 0.00 0.00 176.95 173.10 3iwo h PRO 94 N 5.80 0.00 0.00 5.86 0.11 -1.77 -1.72 132.00 140.28 3iwo h PRO 94 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3iwo h PRO 94 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3iwo h PRO 94 CO 0.37 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.64 3iwo n GLU 95 N -3.52 0.04 -2.34 1.05 4.71 -1.26 -4.24 120.64 115.08 3iwo n GLU 95 Ca -0.02 0.19 -0.43 0.00 -0.01 0.00 0.00 57.16 56.89 3iwo n GLU 95 Cb 0.22 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 3iwo n GLU 95 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3iwo n LEU 96 N -1.47 5.76 0.01 -4.62 7.94 -0.65 -4.73 117.00 119.24 3iwo n LEU 96 Ca 0.05 -4.14 0.11 0.00 -1.11 0.00 0.00 56.01 50.92 3iwo n LEU 96 Cb 0.20 -1.68 0.08 0.00 0.53 0.00 0.00 43.42 42.55 3iwo n LEU 96 CO 0.16 0.66 0.19 0.35 -1.11 0.00 0.00 177.39 177.63 3iwo n THR 97 N 5.43 0.04 -1.75 1.96 -2.24 -1.26 -4.80 114.28 111.66 3iwo n THR 97 Ca 0.47 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.78 3iwo n THR 97 Cb 0.42 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 3iwo n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwo n ALA 98 N -1.57 2.13 0.28 6.98 0.00 -1.26 -4.87 120.51 122.19 3iwo n ALA 98 Ca 0.04 0.36 0.15 0.00 0.00 0.00 0.00 53.44 53.99 3iwo n ALA 98 Cb 0.36 -2.39 0.81 0.00 0.00 0.00 0.00 19.45 18.23 3iwo n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3iwo h LYS 99 N 3.36 0.00 0.00 0.00 1.57 -1.93 -2.07 116.57 117.49 3iwo h LYS 99 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3iwo h LYS 99 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3iwo h LYS 99 CO 0.68 0.08 0.00 -0.56 -0.57 0.00 0.00 179.45 179.08 3iwo h GLN 100 N 0.00 0.00 0.00 3.15 -0.00 -1.94 -2.38 115.11 113.94 3iwo h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3iwo h GLN 100 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.75 3iwo h GLN 100 CO 0.01 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.75 3iwo n TRP 101 N -2.99 0.87 -1.73 0.06 7.02 -0.78 -4.70 117.44 115.18 3iwo n TRP 101 Ca -0.02 0.26 -0.42 0.00 -1.02 0.00 0.00 57.50 56.30 3iwo n TRP 101 Cb 0.13 -0.92 -0.03 0.00 -2.42 0.00 0.00 31.31 28.07 3iwo n TRP 101 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3iwo s ASN 102 N -4.42 6.40 0.00 -0.99 0.02 -0.90 -1.46 114.94 113.59 3iwo s ASN 102 Ca 0.11 2.51 0.00 0.00 -1.02 0.00 0.00 52.86 54.45 3iwo s ASN 102 Cb 0.13 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.87 3iwo s ASN 102 CO 0.58 -1.12 0.00 0.61 0.02 0.00 0.00 177.10 177.19 3iwo n GLY 103 N 4.59 0.68 3.56 0.66 0.00 -1.26 -5.04 105.19 108.38 3iwo n GLY 103 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3iwo n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwo s ILE 104 N -2.42 4.88 0.42 -0.61 1.01 -0.54 -4.87 121.20 119.07 3iwo s ILE 104 Ca 0.00 0.54 0.08 0.00 0.00 0.00 0.00 60.65 61.27 3iwo s ILE 104 Cb 0.00 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.38 3iwo s ILE 104 CO 0.00 -0.35 0.57 0.42 0.00 0.00 0.00 174.94 175.58 3iwo s THR 105 N 2.74 3.02 0.41 2.92 -4.23 -1.26 -1.25 115.64 117.99 3iwo s THR 105 Ca 0.24 -0.99 0.11 0.00 -1.18 0.00 0.00 61.69 59.87 3iwo s THR 105 Cb -0.14 -3.01 0.31 0.00 1.34 0.00 0.00 72.50 71.00 3iwo s THR 105 CO 0.15 -0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.14 3iwo h LEU 106 N 0.64 0.45 -0.29 4.79 3.38 -1.28 -2.16 115.31 120.83 3iwo h LEU 106 Ca -0.40 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.60 3iwo h LEU 106 Cb 1.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3iwo h LEU 106 CO 0.45 0.28 0.13 0.25 0.09 0.00 0.00 178.44 179.64 3iwo h LEU 107 N 0.51 0.18 -0.65 1.67 5.85 -1.50 -0.75 115.31 120.62 3iwo h LEU 107 Ca 0.28 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.07 3iwo h LEU 107 Cb 0.43 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3iwo h LEU 107 CO -0.08 0.14 0.37 0.45 -0.34 0.00 0.00 178.44 178.97 3iwo h HIS 108 N 0.28 0.68 -0.29 1.25 3.86 -1.68 -1.87 115.15 117.37 3iwo h HIS 108 Ca 0.12 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3iwo h HIS 108 Cb 0.06 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3iwo h HIS 108 CO -0.11 0.34 0.12 -0.07 0.86 0.00 0.00 177.93 179.07 3iwo h LEU 109 N 0.69 0.40 -1.74 2.43 3.38 -1.13 -1.07 115.31 118.27 3iwo h LEU 109 Ca 0.29 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3iwo h LEU 109 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3iwo h LEU 109 CO -0.17 0.44 -0.17 0.00 0.09 0.00 0.00 178.44 178.64 3iwo h ALA 110 N 0.97 1.43 -0.15 1.53 0.00 -0.85 -2.72 119.26 119.47 3iwo h ALA 110 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iwo h ALA 110 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iwo h ALA 110 CO -0.01 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.71 3iwo n THR 111 N -3.92 1.28 -1.70 0.00 -2.24 -0.73 -4.47 114.28 102.50 3iwo n THR 111 Ca -0.02 -1.28 -0.14 0.00 -2.27 0.00 0.00 64.05 60.34 3iwo n THR 111 Cb 0.26 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 3iwo n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iwo n TYR 112 N -0.30 -0.23 -0.73 4.78 4.01 -0.85 -4.84 117.16 119.00 3iwo n TYR 112 Ca 0.09 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.90 3iwo n TYR 112 Cb 0.44 -2.64 0.25 0.00 -0.31 0.00 0.00 39.34 37.08 3iwo n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3iwo n THR 113 N -3.09 1.94 0.30 -0.72 -2.24 -0.46 -1.68 114.28 108.33 3iwo n THR 113 Ca -0.15 -1.55 0.16 0.00 -2.27 0.00 0.00 64.05 60.25 3iwo n THR 113 Cb 0.51 -0.02 0.74 0.00 -2.10 0.00 0.00 70.33 69.47 3iwo n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwo h ALA 114 N 2.25 1.00 0.00 6.98 0.00 -1.80 0.23 119.26 127.92 3iwo h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iwo h ALA 114 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3iwo h ALA 114 CO 0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3iwo n GLY 115 N -0.44 2.00 0.00 0.00 0.00 -1.26 -4.13 105.19 101.36 3iwo n GLY 115 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3iwo n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwo n GLY 116 N -0.02 1.86 3.70 -0.02 0.00 -1.26 -1.38 105.19 108.07 3iwo n GLY 116 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3iwo n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iwo n LEU 117 N 0.00 3.54 -4.81 0.99 4.77 -1.26 -4.79 117.00 115.44 3iwo n LEU 117 Ca 0.00 1.19 -0.32 0.00 -0.03 0.00 0.00 56.01 56.85 3iwo n LEU 117 Cb 0.00 -1.48 0.02 0.00 -2.33 0.00 0.00 43.42 39.63 3iwo n LEU 117 CO 0.00 -0.43 0.71 -2.16 -1.33 0.00 0.00 177.39 174.18 3iwo s PRO 118 N -1.50 3.21 0.25 3.23 0.04 -1.26 -4.76 135.00 134.21 3iwo s PRO 118 Ca 0.58 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 3iwo s PRO 118 Cb -0.58 -2.02 0.47 0.00 0.04 0.00 0.00 34.50 32.41 3iwo s PRO 118 CO 0.59 -0.89 1.70 1.25 0.04 0.00 0.00 177.00 179.69 3iwo h LEU 119 N 0.00 0.13 -8.60 -3.56 5.85 -1.91 -3.24 115.31 103.98 3iwo h LEU 119 Ca -0.46 0.13 -0.70 0.00 0.84 0.00 0.00 57.88 57.70 3iwo h LEU 119 Cb 1.21 0.15 -0.30 0.00 0.37 0.00 0.00 40.66 42.10 3iwo h LEU 119 CO 0.57 0.02 -0.88 -1.10 -0.34 0.00 0.00 178.44 176.71 3iwo s GLN 120 N -6.03 2.24 0.06 1.25 -0.21 -1.26 -0.54 119.66 115.16 3iwo s GLN 120 Ca -0.13 -0.91 -0.31 0.00 0.02 0.00 0.00 55.36 54.04 3iwo s GLN 120 Cb 0.21 -2.09 -0.06 0.00 1.00 0.00 0.00 33.01 32.08 3iwo s GLN 120 CO 0.76 0.52 1.21 0.08 -2.12 0.00 0.00 175.29 175.74 3iwo s VAL 121 N -0.51 4.02 0.47 1.09 1.01 -1.26 -4.83 120.40 120.39 3iwo s VAL 121 Ca 0.07 1.45 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 3iwo s VAL 121 Cb -0.11 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 3iwo s VAL 121 CO 0.00 0.10 1.17 -2.65 0.00 0.00 0.00 175.10 173.73 3iwo n PRO 122 N 4.01 1.59 0.28 2.72 -0.02 -1.26 -4.87 135.00 137.45 3iwo n PRO 122 Ca 0.09 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 3iwo n PRO 122 Cb 0.46 -2.29 0.79 0.00 -0.02 0.00 0.00 33.50 32.44 3iwo n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iwo h ASP 123 N 1.60 0.00 0.36 2.55 3.32 -2.01 -1.80 116.42 120.44 3iwo h ASP 123 Ca -0.48 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 3iwo h ASP 123 Cb 1.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 3iwo h ASP 123 CO 0.57 0.08 -0.01 1.05 -1.72 0.00 0.00 179.24 179.22 3iwo h GLU 124 N 0.00 0.00 -6.46 3.56 4.11 -2.03 -3.40 114.58 110.35 3iwo h GLU 124 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.87 3iwo h GLU 124 Cb 0.24 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 3iwo h GLU 124 CO 0.01 0.01 0.91 0.08 0.07 0.00 0.00 179.01 180.09 3iwo s VAL 125 N -4.01 4.07 -0.06 -1.06 1.01 -0.68 -4.79 120.40 114.89 3iwo s VAL 125 Ca -0.03 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 3iwo s VAL 125 Cb 0.12 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 3iwo s VAL 125 CO 0.47 -1.31 -0.06 2.29 0.00 0.00 0.00 175.10 176.48 3iwo n LYS 126 N 8.29 0.15 -2.29 2.72 0.00 -1.26 -4.36 118.16 121.41 3iwo n LYS 126 Ca 0.07 0.04 -0.27 0.00 -0.00 0.00 0.00 58.31 58.16 3iwo n LYS 126 Cb 0.49 -1.01 0.04 0.00 -0.00 0.00 0.00 35.03 34.55 3iwo n LYS 126 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3iwo s SER 127 N -4.91 5.45 0.38 -5.58 1.04 -1.26 -4.92 113.70 103.90 3iwo s SER 127 Ca -0.09 0.74 0.12 0.00 0.48 0.00 0.00 55.95 57.20 3iwo s SER 127 Cb 0.03 -1.65 0.74 0.00 0.10 0.00 0.00 66.02 65.24 3iwo s SER 127 CO 0.14 -1.19 1.85 0.28 0.98 0.00 0.00 173.24 175.30 3iwo h SER 128 N -0.31 0.03 0.96 7.02 0.02 -1.99 -2.09 113.55 117.19 3iwo h SER 128 Ca -0.45 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.32 3iwo h SER 128 Cb 1.26 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3iwo h SER 128 CO 0.61 0.37 -0.79 0.77 -1.14 0.00 0.00 176.83 176.65 3iwo h SER 129 N 0.03 0.00 -0.73 3.07 4.64 -1.99 -1.71 113.55 116.86 3iwo h SER 129 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3iwo h SER 129 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 3iwo h SER 129 CO 0.04 0.79 0.40 0.44 -0.87 0.00 0.00 176.83 177.63 3iwo h ASP 130 N 0.00 0.93 -0.07 4.97 5.19 -1.87 -2.04 116.42 123.53 3iwo h ASP 130 Ca -0.01 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 3iwo h ASP 130 Cb 1.48 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.75 3iwo h ASP 130 CO 0.10 0.76 -0.12 0.25 -3.12 0.00 0.00 179.24 177.11 3iwo h LEU 131 N 1.04 0.23 -0.87 1.55 6.46 -0.95 -1.59 115.31 121.18 3iwo h LEU 131 Ca 0.26 -0.54 0.08 0.00 -0.12 0.00 0.00 57.88 57.57 3iwo h LEU 131 Cb 0.04 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 39.84 3iwo h LEU 131 CO -0.04 0.72 0.53 0.25 -0.62 0.00 0.00 178.44 179.28 3iwo h LEU 132 N -0.27 0.79 -0.33 2.25 5.85 -1.29 -2.28 115.31 120.03 3iwo h LEU 132 Ca 0.01 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3iwo h LEU 132 Cb 0.68 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3iwo h LEU 132 CO 0.03 0.47 0.02 -0.09 -0.34 0.00 0.00 178.44 178.53 3iwo h ARG 133 N 0.91 0.56 -0.32 1.25 2.43 -1.25 -1.51 114.38 116.44 3iwo h ARG 133 Ca 0.40 -0.17 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3iwo h ARG 133 Cb 0.30 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 3iwo h ARG 133 CO -0.22 0.68 -0.05 0.35 -1.51 0.00 0.00 179.97 179.22 3iwo h PHE 134 N 0.37 -0.10 -0.15 2.20 3.57 -0.92 -0.74 116.94 121.17 3iwo h PHE 134 Ca 0.09 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.45 3iwo h PHE 134 Cb 0.41 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3iwo h PHE 134 CO 0.03 -0.10 -0.60 1.88 -2.23 0.00 0.00 178.31 177.29 3iwo h TYR 135 N 0.04 0.64 -0.55 0.41 0.05 -1.33 -2.00 116.97 114.24 3iwo h TYR 135 Ca 0.15 -0.24 -0.06 0.00 0.05 0.00 0.00 58.73 58.63 3iwo h TYR 135 Cb 0.22 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3iwo h TYR 135 CO -0.27 0.98 0.09 1.96 -1.05 0.00 0.00 178.16 179.87 3iwo h GLN 136 N 0.37 0.87 0.00 4.88 1.08 -1.12 -3.14 115.11 118.05 3iwo h GLN 136 Ca -0.00 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 3iwo h GLN 136 Cb 1.15 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3iwo h GLN 136 CO 0.11 0.81 -0.56 0.09 -0.95 0.00 0.00 178.83 178.33 3iwo n ASN 137 N -4.25 0.57 -4.73 1.46 5.03 -0.30 -4.85 115.26 108.20 3iwo n ASN 137 Ca 0.04 -0.03 -0.42 0.00 0.87 0.00 0.00 54.58 55.04 3iwo n ASN 137 Cb 0.26 0.19 -0.02 0.00 -1.02 0.00 0.00 39.78 39.19 3iwo n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3iwo s TRP 138 N -3.09 2.90 -0.30 3.10 -0.00 -0.76 -5.00 118.94 115.80 3iwo s TRP 138 Ca 0.09 0.66 -0.05 0.00 -0.00 0.00 0.00 56.10 56.79 3iwo s TRP 138 Cb 0.15 -4.02 0.02 0.00 -0.00 0.00 0.00 33.47 29.63 3iwo s TRP 138 CO 0.71 -3.63 0.05 -0.65 -0.00 0.00 0.00 176.95 173.42 3iwo s GLN 139 N 0.37 2.86 0.43 5.86 -1.52 -1.26 -5.00 119.66 121.39 3iwo s GLN 139 Ca 0.68 -1.00 -0.26 0.00 -1.95 0.00 0.00 55.36 52.83 3iwo s GLN 139 Cb -0.47 -3.29 -0.08 0.00 -0.22 0.00 0.00 33.01 28.95 3iwo s GLN 139 CO 0.39 -0.50 1.35 -1.25 -0.25 0.00 0.00 175.29 175.03 3iwo s PRO 140 N 1.41 3.82 0.18 2.91 0.04 -1.26 -4.92 135.00 137.19 3iwo s PRO 140 Ca 0.00 2.26 0.10 0.00 0.04 0.00 0.00 61.00 63.41 3iwo s PRO 140 Cb -0.18 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 3iwo s PRO 140 CO 0.01 -0.65 1.34 0.00 0.04 0.00 0.00 177.00 177.74 3iwo h ALA 141 N 2.49 0.49 -2.32 8.56 0.00 -1.53 -3.48 119.26 123.46 3iwo h ALA 141 Ca -0.50 -0.73 -0.19 0.00 0.00 0.00 0.00 54.91 53.49 3iwo h ALA 141 Cb 1.26 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 3iwo h ALA 141 CO 0.62 1.00 -0.69 -1.58 0.00 0.00 0.00 179.25 178.59 3iwo s TRP 142 N -2.81 0.72 0.57 0.00 0.51 -1.10 -5.07 118.94 111.76 3iwo s TRP 142 Ca 0.02 -0.93 -0.21 0.00 -2.12 0.00 0.00 56.10 52.86 3iwo s TRP 142 Cb 0.09 -0.45 -0.04 0.00 -0.81 0.00 0.00 33.47 32.26 3iwo s TRP 142 CO 0.79 -0.23 1.34 0.00 -0.51 0.00 0.00 176.95 178.34 3iwo s ALA 143 N -3.51 2.70 0.55 0.98 0.00 -1.26 -4.40 121.76 116.81 3iwo s ALA 143 Ca 0.08 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.13 3iwo s ALA 143 Cb 0.05 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3iwo s ALA 143 CO -0.06 -1.44 1.34 -2.30 0.00 0.00 0.00 175.76 173.30 3iwo n PRO 144 N -1.28 1.65 -1.65 0.00 -0.02 -1.26 -3.21 135.00 129.23 3iwo n PRO 144 Ca 0.12 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 62.10 3iwo n PRO 144 Cb 0.46 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3iwo n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iwo n GLY 145 N 0.78 0.71 0.02 -1.23 0.00 0.07 -4.90 105.19 100.64 3iwo n GLY 145 Ca 0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 3iwo n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iwo n THR 146 N -3.20 0.22 -4.02 2.61 -2.24 -1.20 -4.84 114.28 101.62 3iwo n THR 146 Ca -0.11 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 3iwo n THR 146 Cb 0.44 -0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 67.70 3iwo n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iwo s GLN 147 N -2.08 0.31 -0.15 -0.78 -0.21 -1.26 -1.84 119.66 113.65 3iwo s GLN 147 Ca -0.03 -0.38 -0.13 0.00 0.02 0.00 0.00 55.36 54.85 3iwo s GLN 147 Cb 0.01 -0.15 -0.05 0.00 1.00 0.00 0.00 33.01 33.83 3iwo s GLN 147 CO 0.12 0.03 0.26 0.50 -2.12 0.00 0.00 175.29 174.07 3iwo s ARG 148 N -0.77 4.15 -0.27 2.91 3.52 0.69 -4.32 118.95 124.87 3iwo s ARG 148 Ca -0.06 0.04 -0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3iwo s ARG 148 Cb -0.05 -3.39 0.09 0.00 -1.56 0.00 0.00 34.95 30.03 3iwo s ARG 148 CO -0.00 0.33 0.09 -1.17 -0.81 0.00 0.00 175.30 173.73 3iwo s LEU 149 N 0.22 1.37 -0.04 -0.88 2.96 -0.68 -1.84 118.68 119.79 3iwo s LEU 149 Ca 0.15 -1.27 -0.38 0.00 -0.22 0.00 0.00 54.13 52.41 3iwo s LEU 149 Cb -0.13 -0.61 -0.17 0.00 0.50 0.00 0.00 46.19 45.78 3iwo s LEU 149 CO 0.03 -0.39 1.42 0.00 -1.32 0.00 0.00 176.35 176.09 3iwo n TYR 150 N 5.04 1.56 -3.67 5.38 4.19 -1.26 -4.80 117.16 123.60 3iwo n TYR 150 Ca -0.05 0.68 -0.08 0.00 3.31 0.00 0.00 57.90 61.76 3iwo n TYR 150 Cb 0.44 -2.33 -0.09 0.00 0.49 0.00 0.00 39.34 37.85 3iwo n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3iwo s ALA 151 N 1.29 -1.37 0.33 2.98 0.00 -1.26 -4.36 121.76 119.36 3iwo s ALA 151 Ca 0.90 1.82 0.10 0.00 0.00 0.00 0.00 51.96 54.78 3iwo s ALA 151 Cb -1.04 -1.23 0.56 0.00 0.00 0.00 0.00 23.12 21.41 3iwo s ALA 151 CO 0.54 -0.47 1.75 -0.91 0.00 0.00 0.00 175.76 176.66 3iwo h ASN 152 N 7.42 0.10 0.85 0.00 2.35 -0.98 -2.83 115.58 122.49 3iwo h ASN 152 Ca -0.28 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3iwo h ASN 152 Cb 1.17 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3iwo h ASN 152 CO 0.20 0.51 0.00 -1.54 -1.65 0.00 0.00 177.43 174.96 3iwo n SER 153 N -4.02 0.67 -0.02 5.81 3.41 -1.21 -0.84 113.62 117.41 3iwo n SER 153 Ca -0.02 0.64 -0.01 0.00 -0.26 0.00 0.00 58.87 59.23 3iwo n SER 153 Cb 0.47 -0.79 -0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3iwo n SER 153 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3iwo h SER 154 N 0.00 0.00 0.24 4.04 0.87 -1.75 -3.29 113.55 113.66 3iwo h SER 154 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3iwo h SER 154 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3iwo h SER 154 CO 0.00 0.16 -0.20 -0.29 -0.53 0.00 0.00 176.83 175.97 3iwo h ILE 155 N -0.23 1.05 -0.59 2.23 2.10 -1.26 -2.43 117.51 118.39 3iwo h ILE 155 Ca 0.00 -0.71 -0.06 0.00 1.08 0.00 0.00 64.86 65.18 3iwo h ILE 155 Cb 0.10 1.39 -0.02 0.00 -1.09 0.00 0.00 36.82 37.19 3iwo h ILE 155 CO 0.00 0.20 0.15 1.23 -1.08 0.00 0.00 178.15 178.65 3iwo h GLY 156 N 0.68 1.01 1.16 8.18 0.00 -1.20 -1.26 103.07 111.64 3iwo h GLY 156 Ca -0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 3iwo h GLY 156 CO 0.03 0.58 -0.17 -2.00 0.00 0.00 0.00 176.54 174.98 3iwo h LEU 157 N 0.85 0.98 -0.65 3.11 5.85 -1.55 -2.14 115.31 121.76 3iwo h LEU 157 Ca 0.19 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3iwo h LEU 157 Cb 0.34 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3iwo h LEU 157 CO 0.00 1.13 0.31 0.15 -0.34 0.00 0.00 178.44 179.68 3iwo h PHE 158 N 0.85 0.55 -0.51 1.25 3.57 -1.10 -0.24 116.94 121.31 3iwo h PHE 158 Ca 0.12 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3iwo h PHE 158 Cb 0.73 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3iwo h PHE 158 CO 0.05 0.20 0.23 0.78 -2.23 0.00 0.00 178.31 177.33 3iwo h GLY 159 N 0.54 0.80 1.19 2.40 0.00 -0.92 0.89 103.07 107.97 3iwo h GLY 159 Ca 0.32 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3iwo h GLY 159 CO -0.26 0.39 0.01 0.00 0.00 0.00 0.00 176.54 176.69 3iwo h ALA 160 N 1.07 0.94 0.10 3.60 0.00 -0.91 -3.15 119.26 120.91 3iwo h ALA 160 Ca 0.17 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 3iwo h ALA 160 Cb 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iwo h ALA 160 CO -0.02 0.64 -1.17 -0.07 0.00 0.00 0.00 179.25 178.63 3iwo h LEU 161 N 0.90 0.65 -1.94 0.00 3.38 -0.86 -3.28 115.31 114.15 3iwo h LEU 161 Ca 0.17 -0.60 0.13 0.00 0.09 0.00 0.00 57.88 57.66 3iwo h LEU 161 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3iwo h LEU 161 CO 0.02 1.43 0.34 0.00 0.09 0.00 0.00 178.44 180.33 3iwo h ALA 162 N 0.50 2.37 -0.02 1.53 0.00 -0.78 -0.85 119.26 122.02 3iwo h ALA 162 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iwo h ALA 162 Cb 1.85 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3iwo h ALA 162 CO 0.21 -0.50 -0.11 1.33 0.00 0.00 0.00 179.25 180.18 3iwo n VAL 163 N -4.41 0.00 -0.04 0.00 0.24 -1.22 -4.48 118.33 108.41 3iwo n VAL 163 Ca 0.08 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 61.99 3iwo n VAL 163 Cb 0.51 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 3iwo n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3iwo h LYS 164 N 2.70 0.26 -0.85 7.34 1.79 -1.25 -2.81 116.57 123.75 3iwo h LYS 164 Ca 0.00 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.55 3iwo h LYS 164 Cb 0.65 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.19 3iwo h LYS 164 CO 0.00 0.21 0.55 -1.35 -1.08 0.00 0.00 179.45 177.78 3iwo h PRO 165 N 0.23 0.79 0.00 3.15 0.11 -1.78 -1.12 132.00 133.36 3iwo h PRO 165 Ca 0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3iwo h PRO 165 Cb 0.02 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 3iwo h PRO 165 CO -0.01 0.52 -0.04 0.66 -0.21 0.00 0.00 178.00 178.92 3iwo h SER 166 N 0.81 0.00 0.00 -2.05 4.64 -1.79 -3.46 113.55 111.70 3iwo h SER 166 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3iwo h SER 166 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3iwo h SER 166 CO -0.16 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.44 3iwo n GLY 167 N -1.31 1.00 3.86 -0.77 0.00 -0.43 -5.02 105.19 102.53 3iwo n GLY 167 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3iwo n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwo s LEU 168 N 0.00 3.96 0.85 0.99 1.43 -1.26 -5.07 118.68 119.58 3iwo s LEU 168 Ca 0.00 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 3iwo s LEU 168 Cb 0.00 -4.04 0.10 0.00 0.03 0.00 0.00 46.19 42.29 3iwo s LEU 168 CO 0.00 -0.29 1.11 -0.94 0.23 0.00 0.00 176.35 176.45 3iwo s SER 169 N -2.70 3.70 0.16 2.29 1.04 -1.26 -4.76 113.70 112.17 3iwo s SER 169 Ca 0.53 1.90 -0.16 0.00 0.48 0.00 0.00 55.95 58.69 3iwo s SER 169 Cb -0.10 -2.49 0.09 0.00 0.10 0.00 0.00 66.02 63.62 3iwo s SER 169 CO 0.24 -2.56 1.71 0.15 0.98 0.00 0.00 173.24 173.76 3iwo h PHE 170 N -1.49 0.02 -0.37 5.02 3.57 -1.93 -0.65 116.94 121.10 3iwo h PHE 170 Ca -0.45 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.09 3iwo h PHE 170 Cb 1.25 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 3iwo h PHE 170 CO 0.52 -0.05 0.23 1.49 -2.23 0.00 0.00 178.31 178.27 3iwo h GLU 171 N 0.13 0.45 -0.72 1.11 4.81 -1.99 -0.55 114.58 117.82 3iwo h GLU 171 Ca 0.18 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3iwo h GLU 171 Cb 0.25 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3iwo h GLU 171 CO -0.29 0.30 0.44 1.96 -0.73 0.00 0.00 179.01 180.69 3iwo h GLN 172 N 0.46 0.97 -0.08 1.92 1.08 -1.86 -0.20 115.11 117.41 3iwo h GLN 172 Ca 0.14 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3iwo h GLN 172 Cb -0.02 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.20 3iwo h GLN 172 CO -0.05 0.68 0.03 0.00 -0.95 0.00 0.00 178.83 178.54 3iwo h ALA 173 N 1.23 0.10 -0.22 3.87 0.00 -0.89 -0.96 119.26 122.40 3iwo h ALA 173 Ca 0.26 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3iwo h ALA 173 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3iwo h ALA 173 CO -0.05 -0.32 0.03 1.98 0.00 0.00 0.00 179.25 180.90 3iwo h MET 174 N -0.03 0.11 0.14 0.00 1.85 -0.93 0.68 114.93 116.74 3iwo h MET 174 Ca 0.03 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 3iwo h MET 174 Cb 0.17 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 3iwo h MET 174 CO -0.00 0.07 -0.16 1.96 -0.40 0.00 0.00 176.91 178.38 3iwo h GLN 175 N 0.11 -0.32 0.00 0.39 4.20 -0.98 -1.33 115.11 117.18 3iwo h GLN 175 Ca 0.10 0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 3iwo h GLN 175 Cb 0.10 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3iwo h GLN 175 CO -0.14 -0.21 -0.77 1.79 -0.67 0.00 0.00 178.83 178.82 3iwo h THR 176 N -0.33 1.46 0.00 -0.54 1.35 -1.05 0.00 112.91 113.80 3iwo h THR 176 Ca 0.01 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 3iwo h THR 176 Cb 0.33 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3iwo h THR 176 CO -0.06 0.76 -1.67 0.54 -0.25 0.00 0.00 175.52 174.84 3iwo n ARG 177 N -3.49 0.65 0.06 4.72 1.74 0.22 -4.43 116.66 116.14 3iwo n ARG 177 Ca -0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3iwo n ARG 177 Cb 0.78 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 3iwo n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3iwo n VAL 178 N -2.01 0.85 0.40 1.55 0.31 -0.72 -4.76 118.33 113.94 3iwo n VAL 178 Ca -0.02 0.28 -0.18 0.00 -0.01 0.00 0.00 64.34 64.40 3iwo n VAL 178 Cb 0.44 -1.28 -0.09 0.00 -0.91 0.00 0.00 33.84 32.00 3iwo n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3iwo h PHE 179 N 0.00 -0.90 -0.08 3.52 0.04 -1.28 -3.00 116.94 115.24 3iwo h PHE 179 Ca 0.00 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.76 3iwo h PHE 179 Cb 0.00 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3iwo h PHE 179 CO 0.00 -0.56 0.02 1.96 -0.60 0.00 0.00 178.31 179.12 3iwo h GLN 180 N -0.98 0.05 -0.14 1.51 4.20 -1.23 -0.57 115.11 117.95 3iwo h GLN 180 Ca -0.10 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.63 3iwo h GLN 180 Cb 0.75 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3iwo h GLN 180 CO 0.16 0.03 0.10 -1.35 -0.67 0.00 0.00 178.83 177.10 3iwo h PRO 181 N 0.05 0.09 -0.34 1.46 0.11 -1.77 -1.25 132.00 130.35 3iwo h PRO 181 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3iwo h PRO 181 Cb 0.03 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3iwo h PRO 181 CO -0.04 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.09 3iwo n LEU 182 N -4.51 2.59 -3.55 2.35 4.77 -1.02 -4.94 117.00 112.70 3iwo n LEU 182 Ca -0.00 -1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 54.58 3iwo n LEU 182 Cb 0.15 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 3iwo n LEU 182 CO 0.34 0.58 0.21 0.29 -1.33 0.00 0.00 177.39 177.48 3iwo n LYS 183 N 0.92 -7.45 -3.13 3.23 5.02 -0.47 -4.91 118.16 111.37 3iwo n LYS 183 Ca 0.18 0.83 -0.45 0.00 -2.02 0.00 0.00 58.31 56.84 3iwo n LYS 183 Cb 0.46 -5.85 -0.00 0.00 -0.02 0.00 0.00 35.03 29.61 3iwo n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iwo s LEU 184 N -7.24 5.67 0.00 -0.35 1.43 -0.29 -4.80 118.68 113.11 3iwo s LEU 184 Ca 0.56 -3.20 0.22 0.00 -1.03 0.00 0.00 54.13 50.68 3iwo s LEU 184 Cb -0.25 -2.31 0.74 0.00 0.03 0.00 0.00 46.19 44.40 3iwo s LEU 184 CO 0.69 -0.56 1.55 0.59 0.23 0.00 0.00 176.35 178.85 3iwo n ASN 185 N 4.36 1.87 -2.48 2.29 3.02 -1.26 -3.67 115.26 119.39 3iwo n ASN 185 Ca 0.30 -1.72 -0.07 0.00 -0.03 0.00 0.00 54.58 53.06 3iwo n ASN 185 Cb 0.42 -0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.53 3iwo n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3iwo n HIS 186 N 0.45 1.62 -4.78 3.10 8.25 -1.26 -5.04 115.22 117.57 3iwo n HIS 186 Ca 0.17 -2.07 -0.26 0.00 -0.26 0.00 0.00 57.72 55.30 3iwo n HIS 186 Cb 0.37 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 31.06 3iwo n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3iwo s THR 187 N -3.85 1.37 -0.02 1.59 2.01 -1.24 -3.64 115.64 111.86 3iwo s THR 187 Ca 0.35 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 3iwo s THR 187 Cb 0.35 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.67 3iwo s THR 187 CO -0.02 0.40 0.16 0.26 -0.69 0.00 0.00 174.62 174.73 3iwo s TRP 188 N 0.26 -0.05 -0.11 4.92 0.52 -0.21 -4.99 118.94 119.29 3iwo s TRP 188 Ca -0.09 0.08 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 3iwo s TRP 188 Cb -0.13 -0.00 -0.26 0.00 -1.15 0.00 0.00 33.47 31.93 3iwo s TRP 188 CO 0.03 -0.23 0.40 -0.89 0.02 0.00 0.00 176.95 176.28 3iwo n ILE 189 N 1.91 1.76 -4.06 2.03 5.41 -1.26 -0.38 119.36 124.78 3iwo n ILE 189 Ca -0.20 -0.67 -0.33 0.00 1.00 0.00 0.00 62.75 62.55 3iwo n ILE 189 Cb 0.57 -1.65 -0.15 0.00 -0.71 0.00 0.00 39.64 37.69 3iwo n ILE 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3iwo s ASN 190 N -6.93 3.58 -0.12 4.38 0.01 -1.26 -4.75 114.94 109.84 3iwo s ASN 190 Ca -0.20 -0.68 -0.29 0.00 -0.71 0.00 0.00 52.86 50.97 3iwo s ASN 190 Cb 0.07 -1.55 -0.03 0.00 0.41 0.00 0.00 41.25 40.14 3iwo s ASN 190 CO 0.78 -0.03 1.39 -0.69 -1.51 0.00 0.00 177.10 177.04 3iwo s VAL 191 N 1.32 4.02 0.64 1.60 1.01 -1.26 -4.98 120.40 122.74 3iwo s VAL 191 Ca 0.04 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 3iwo s VAL 191 Cb -0.14 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3iwo s VAL 191 CO -0.10 -0.10 1.07 -2.84 0.00 0.00 0.00 175.10 173.13 3iwo s PRO 192 N 3.56 3.07 0.44 2.72 0.02 -1.26 -4.90 135.00 138.65 3iwo s PRO 192 Ca 0.61 1.20 0.15 0.00 0.02 0.00 0.00 61.00 62.99 3iwo s PRO 192 Cb -0.26 -2.00 1.07 0.00 0.02 0.00 0.00 34.50 33.33 3iwo s PRO 192 CO 0.20 -1.01 1.97 -1.35 -0.33 0.00 0.00 177.00 176.48 3iwo h PRO 193 N 0.06 0.36 -0.24 5.54 0.11 -2.02 -0.17 132.00 135.64 3iwo h PRO 193 Ca -0.46 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3iwo h PRO 193 Cb 1.22 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3iwo h PRO 193 CO 0.56 0.24 0.19 0.00 -0.21 0.00 0.00 178.00 178.78 3iwo h ALA 194 N 1.69 2.09 -0.03 -0.75 0.00 -2.02 -2.82 119.26 117.43 3iwo h ALA 194 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3iwo h ALA 194 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3iwo h ALA 194 CO -0.08 -0.31 -0.04 0.39 0.00 0.00 0.00 179.25 179.21 3iwo n GLU 195 N -4.23 1.89 0.07 0.00 -0.58 -0.09 -4.53 120.64 113.18 3iwo n GLU 195 Ca 0.03 -1.68 0.04 0.00 -0.42 0.00 0.00 57.16 55.13 3iwo n GLU 195 Cb 0.34 -1.41 0.46 0.00 -0.57 0.00 0.00 31.44 30.26 3iwo n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3iwo h GLU 196 N 3.96 0.38 -0.43 3.49 5.08 -1.40 -0.63 114.58 125.03 3iwo h GLU 196 Ca 0.00 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 3iwo h GLU 196 Cb 0.86 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3iwo h GLU 196 CO 0.00 0.29 0.35 1.57 -1.00 0.00 0.00 179.01 180.22 3iwo h LYS 197 N 0.39 0.00 -0.08 2.33 2.10 -1.81 -2.01 116.57 117.48 3iwo h LYS 197 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3iwo h LYS 197 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3iwo h LYS 197 CO -0.02 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.52 3iwo n ASN 198 N -4.16 2.94 -4.54 7.07 3.02 -0.25 -4.89 115.26 114.45 3iwo n ASN 198 Ca 0.07 -1.93 -0.43 0.00 -0.03 0.00 0.00 54.58 52.27 3iwo n ASN 198 Cb 0.55 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 3iwo n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3iwo s TYR 199 N -1.78 2.73 0.66 3.10 5.04 -0.76 -0.30 117.35 126.04 3iwo s TYR 199 Ca 0.28 0.09 -0.18 0.00 -2.44 0.00 0.00 57.07 54.82 3iwo s TYR 199 Cb 0.19 -4.20 -0.00 0.00 0.35 0.00 0.00 41.96 38.29 3iwo s TYR 199 CO 0.28 -1.43 1.28 0.00 -1.34 0.00 0.00 175.55 174.34 3iwo s ALA 200 N 4.25 2.33 0.25 3.97 0.00 -0.76 -4.95 121.76 126.86 3iwo s ALA 200 Ca 0.34 1.17 -0.26 0.00 0.00 0.00 0.00 51.96 53.20 3iwo s ALA 200 Cb -0.11 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 3iwo s ALA 200 CO 0.21 -1.64 0.88 -1.58 0.00 0.00 0.00 175.76 173.62 3iwo s TRP 201 N -1.48 3.83 0.54 0.00 0.52 -0.41 -4.91 118.94 117.03 3iwo s TRP 201 Ca 0.81 1.74 -0.09 0.00 0.02 0.00 0.00 56.10 58.59 3iwo s TRP 201 Cb -0.36 -2.87 -0.04 0.00 -1.15 0.00 0.00 33.47 29.05 3iwo s TRP 201 CO 0.40 0.37 0.91 0.20 0.02 0.00 0.00 176.95 178.86 3iwo s GLY 202 N -1.38 1.64 -0.11 0.98 0.00 -0.07 -4.83 107.32 103.54 3iwo s GLY 202 Ca 0.43 -0.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.90 3iwo s GLY 202 CO 0.26 -0.02 -0.08 -0.19 0.00 0.00 0.00 173.10 173.07 3iwo s TYR 203 N -2.92 1.51 -0.13 1.90 2.02 -0.89 -0.50 117.35 118.34 3iwo s TYR 203 Ca 0.52 -0.76 -0.00 0.00 -0.37 0.00 0.00 57.07 56.46 3iwo s TYR 203 Cb -0.11 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.24 3iwo s TYR 203 CO 0.48 -0.52 -0.07 0.50 -1.57 0.00 0.00 175.55 174.37 3iwo s ARG 204 N 1.70 1.48 -1.41 -0.62 3.52 -0.54 -4.43 118.95 118.65 3iwo s ARG 204 Ca 0.05 -0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 55.18 3iwo s ARG 204 Cb -0.13 -1.75 0.08 0.00 -1.56 0.00 0.00 34.95 31.59 3iwo s ARG 204 CO -0.08 -0.33 0.63 0.39 -0.81 0.00 0.00 175.30 175.09 3iwo n GLU 205 N 4.92 -3.86 0.00 5.12 1.02 -1.26 -1.06 120.64 125.52 3iwo n GLU 205 Ca -0.12 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 3iwo n GLU 205 Cb 0.49 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 3iwo n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwo n GLY 206 N -1.32 2.01 3.74 0.62 0.00 -1.26 -5.03 105.19 103.94 3iwo n GLY 206 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3iwo n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwo s LYS 207 N -0.35 4.34 -0.04 1.61 1.02 -0.22 -5.03 119.74 121.06 3iwo s LYS 207 Ca 0.00 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.35 3iwo s LYS 207 Cb 0.00 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 3iwo s LYS 207 CO 0.00 0.23 1.66 0.00 -0.92 0.00 0.00 175.35 176.32 3iwo s ALA 208 N 0.33 3.62 0.01 5.17 0.00 -1.26 -1.47 121.76 128.15 3iwo s ALA 208 Ca 0.31 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.23 3iwo s ALA 208 Cb -0.17 -3.74 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 3iwo s ALA 208 CO 0.15 -1.38 -0.01 0.14 0.00 0.00 0.00 175.76 174.66 3iwo s VAL 209 N 3.95 0.05 0.12 0.00 -7.23 0.34 -4.95 120.40 112.69 3iwo s VAL 209 Ca 0.74 -0.40 0.10 0.00 -1.81 0.00 0.00 61.98 60.61 3iwo s VAL 209 Cb -0.34 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 3iwo s VAL 209 CO 0.30 -0.22 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.62 3iwo s HIS 210 N -0.65 2.36 0.39 2.82 3.76 -1.26 -0.89 115.29 121.82 3iwo s HIS 210 Ca -0.07 -0.35 -0.26 0.00 -0.15 0.00 0.00 55.06 54.22 3iwo s HIS 210 Cb -0.04 -1.28 -0.11 0.00 1.11 0.00 0.00 32.58 32.26 3iwo s HIS 210 CO -0.00 0.34 1.23 1.55 -0.85 0.00 0.00 174.74 177.01 3iwo n VAL 211 N 0.92 2.33 -3.94 -0.90 3.14 -1.26 -4.98 118.33 113.63 3iwo n VAL 211 Ca -0.17 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.40 3iwo n VAL 211 Cb 0.53 -1.49 -0.14 0.00 -1.06 0.00 0.00 33.84 31.68 3iwo n VAL 211 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3iwo s SER 212 N -0.48 4.33 0.14 6.55 0.15 -1.26 -5.10 113.70 118.03 3iwo s SER 212 Ca 0.59 -2.84 -0.31 0.00 0.70 0.00 0.00 55.95 54.09 3iwo s SER 212 Cb -0.54 -1.59 -0.09 0.00 -1.71 0.00 0.00 66.02 62.10 3iwo s SER 212 CO 0.59 -0.26 1.42 -2.16 1.20 0.00 0.00 173.24 174.03 3iwo s PRO 213 N -0.05 4.31 0.00 5.44 0.04 -1.26 -5.04 135.00 138.44 3iwo s PRO 213 Ca 0.16 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3iwo s PRO 213 Cb -0.25 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3iwo s PRO 213 CO -0.01 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3iwo n GLY 214 N 3.32 1.40 3.64 0.56 0.00 -1.26 -4.96 105.19 107.89 3iwo n GLY 214 Ca 0.11 -2.02 -0.49 0.00 0.00 0.00 0.00 46.02 43.62 3iwo n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwo n ALA 215 N -3.00 0.34 -0.94 4.61 0.00 -1.26 -2.08 120.51 118.19 3iwo n ALA 215 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3iwo n ALA 215 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3iwo n ALA 215 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iwo n LEU 216 N 3.14 0.69 0.14 0.00 4.77 -1.26 -4.81 117.00 119.67 3iwo n LEU 216 Ca 0.18 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.17 3iwo n LEU 216 Cb 0.24 -1.73 0.33 0.00 -2.33 0.00 0.00 43.42 39.94 3iwo n LEU 216 CO 0.63 -0.63 0.75 0.44 -1.33 0.00 0.00 177.39 177.25 3iwo h ASP 217 N 0.00 0.14 -0.32 -1.43 3.32 -1.79 -1.73 116.42 114.60 3iwo h ASP 217 Ca 0.00 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3iwo h ASP 217 Cb 0.56 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3iwo h ASP 217 CO 0.00 0.45 0.20 0.00 -1.72 0.00 0.00 179.24 178.17 3iwo h ALA 218 N 1.56 0.41 -0.09 3.45 0.00 -1.89 0.32 119.26 123.01 3iwo h ALA 218 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3iwo h ALA 218 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iwo h ALA 218 CO 0.05 -0.15 -0.59 0.93 0.00 0.00 0.00 179.25 179.49 3iwo h GLU 219 N 0.41 0.28 0.00 0.00 3.07 -1.83 -2.43 114.58 114.08 3iwo h GLU 219 Ca 0.12 -0.19 -0.13 0.00 -0.50 0.00 0.00 59.36 58.67 3iwo h GLU 219 Cb -0.02 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3iwo h GLU 219 CO -0.05 0.79 -1.70 0.00 -1.40 0.00 0.00 179.01 176.65 3iwo n ALA 220 N -2.48 2.21 -1.90 3.43 0.00 -0.67 -4.65 120.51 116.46 3iwo n ALA 220 Ca -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 53.44 52.75 3iwo n ALA 220 Cb 0.61 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 3iwo n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iwo n GLY 221 N 1.39 0.54 1.01 0.00 0.00 0.10 -4.16 105.19 104.06 3iwo n GLY 221 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3iwo n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwo n GLY 222 N 0.00 1.17 3.76 -0.02 0.00 -0.59 -3.94 105.19 105.57 3iwo n GLY 222 Ca -0.15 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 3iwo n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwo s VAL 223 N -1.88 4.57 -0.07 1.61 1.01 -1.26 -4.37 120.40 120.01 3iwo s VAL 223 Ca 0.31 1.66 0.05 0.00 0.00 0.00 0.00 61.98 63.99 3iwo s VAL 223 Cb 0.21 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3iwo s VAL 223 CO 0.30 0.44 -0.21 -0.54 0.00 0.00 0.00 175.10 175.09 3iwo s LYS 224 N -0.56 2.69 0.17 2.72 3.01 0.49 -1.23 119.74 127.03 3iwo s LYS 224 Ca 0.37 -0.83 -0.13 0.00 -1.01 0.00 0.00 55.97 54.37 3iwo s LYS 224 Cb -0.22 -2.28 0.01 0.00 -1.01 0.00 0.00 37.83 34.34 3iwo s LYS 224 CO 0.24 0.39 0.39 0.45 0.51 0.00 0.00 175.35 177.34 3iwo s SER 225 N -0.17 -0.10 0.40 2.83 0.15 -0.71 -1.05 113.70 115.05 3iwo s SER 225 Ca -0.03 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.00 3iwo s SER 225 Cb -0.14 0.50 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3iwo s SER 225 CO 0.04 -0.96 0.57 0.42 1.20 0.00 0.00 173.24 174.50 3iwo s THR 226 N -3.92 3.74 0.36 6.45 -4.23 -1.24 -1.22 115.64 115.58 3iwo s THR 226 Ca 0.13 -0.84 0.07 0.00 -1.18 0.00 0.00 61.69 59.87 3iwo s THR 226 Cb 0.01 -3.32 0.14 0.00 1.34 0.00 0.00 72.50 70.68 3iwo s THR 226 CO -0.02 -0.16 1.87 -0.29 -0.54 0.00 0.00 174.62 175.48 3iwo h ILE 227 N 0.64 1.20 -0.14 2.99 6.09 -1.72 -1.40 117.51 125.17 3iwo h ILE 227 Ca -0.45 -0.88 -0.04 0.00 -1.37 0.00 0.00 64.86 62.12 3iwo h ILE 227 Cb 1.26 1.18 -0.00 0.00 0.47 0.00 0.00 36.82 39.73 3iwo h ILE 227 CO 0.53 0.28 -0.08 -0.33 -3.07 0.00 0.00 178.15 175.47 3iwo h GLU 228 N 0.32 0.31 -0.74 2.19 5.08 -1.94 -1.04 114.58 118.76 3iwo h GLU 228 Ca 0.06 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3iwo h GLU 228 Cb 0.42 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3iwo h GLU 228 CO 0.02 0.65 0.30 -0.44 -1.00 0.00 0.00 179.01 178.54 3iwo h ASP 229 N -0.03 1.00 -0.12 1.42 5.19 -1.87 -2.15 116.42 119.87 3iwo h ASP 229 Ca 0.03 -0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 56.19 3iwo h ASP 229 Cb 0.56 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3iwo h ASP 229 CO 0.02 0.89 -0.27 0.24 -3.12 0.00 0.00 179.24 177.00 3iwo h MET 230 N 1.07 0.57 -0.59 3.56 2.86 -1.15 0.55 114.93 121.79 3iwo h MET 230 Ca 0.25 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3iwo h MET 230 Cb 0.19 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3iwo h MET 230 CO -0.02 0.79 0.38 0.00 1.06 0.00 0.00 176.91 179.11 3iwo h ALA 231 N 1.21 0.76 -0.63 6.32 0.00 -0.97 -1.39 119.26 124.56 3iwo h ALA 231 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3iwo h ALA 231 Cb 0.72 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3iwo h ALA 231 CO 0.06 0.14 0.20 -0.09 0.00 0.00 0.00 179.25 179.56 3iwo h ARG 232 N 0.76 0.95 -0.52 0.00 2.43 -0.89 -0.50 114.38 116.62 3iwo h ARG 232 Ca 0.23 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3iwo h ARG 232 Cb -0.04 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 3iwo h ARG 232 CO -0.07 0.81 0.29 2.35 -1.51 0.00 0.00 179.97 181.84 3iwo h TRP 233 N 0.93 0.54 -0.42 2.20 -0.00 -0.47 0.17 115.95 118.89 3iwo h TRP 233 Ca 0.21 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.09 3iwo h TRP 233 Cb 0.25 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.23 3iwo h TRP 233 CO 0.02 0.29 0.15 0.28 -0.00 0.00 0.00 178.44 179.19 3iwo h VAL 234 N 0.57 1.21 -0.79 2.65 2.07 -0.92 -1.56 116.25 119.48 3iwo h VAL 234 Ca 0.22 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3iwo h VAL 234 Cb 0.07 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3iwo h VAL 234 CO -0.12 0.24 0.45 1.56 0.02 0.00 0.00 177.57 179.72 3iwo h GLN 235 N 0.54 0.74 -0.58 1.57 4.20 -0.73 0.29 115.11 121.14 3iwo h GLN 235 Ca 0.14 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3iwo h GLN 235 Cb 0.22 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3iwo h GLN 235 CO -0.01 0.49 -0.03 0.77 -0.67 0.00 0.00 178.83 179.38 3iwo h SER 236 N 0.77 1.03 0.88 1.46 0.02 -0.67 -1.77 113.55 115.27 3iwo h SER 236 Ca 0.37 -0.30 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 3iwo h SER 236 Cb 0.32 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3iwo h SER 236 CO -0.23 1.10 -0.72 0.78 -1.14 0.00 0.00 176.83 176.61 3iwo h ASN 237 N 0.95 0.00 -0.41 3.07 2.35 -0.82 -2.71 115.58 118.01 3iwo h ASN 237 Ca 0.16 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3iwo h ASN 237 Cb 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3iwo h ASN 237 CO 0.04 0.72 0.12 -0.07 -1.65 0.00 0.00 177.43 176.59 3iwo h LEU 238 N 0.00 0.60 -6.06 1.61 3.38 -0.31 -3.39 115.31 111.14 3iwo h LEU 238 Ca -0.01 -0.21 -0.58 0.00 0.09 0.00 0.00 57.88 57.18 3iwo h LEU 238 Cb 1.36 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 41.55 3iwo h LEU 238 CO 0.09 0.65 -0.81 0.29 0.09 0.00 0.00 178.44 178.75 3iwo n LYS 239 N -4.59 1.84 0.30 1.13 5.02 -0.68 -4.85 118.16 116.33 3iwo n LYS 239 Ca -0.00 -4.09 0.17 0.00 -2.02 0.00 0.00 58.31 52.37 3iwo n LYS 239 Cb 0.18 -1.85 0.92 0.00 -0.02 0.00 0.00 35.03 34.26 3iwo n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3iwo h PRO 240 N 3.99 0.00 0.00 1.97 0.13 -1.68 -2.17 132.00 134.24 3iwo h PRO 240 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3iwo h PRO 240 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3iwo h PRO 240 CO 0.68 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.78 3iwo n LEU 241 N -3.39 0.38 -0.12 1.56 4.77 -1.26 -1.74 117.00 117.21 3iwo n LEU 241 Ca -0.02 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3iwo n LEU 241 Cb 0.17 -0.50 0.64 0.00 -2.33 0.00 0.00 43.42 41.40 3iwo n LEU 241 CO 0.26 -0.31 0.89 0.47 -1.33 0.00 0.00 177.39 177.37 3iwo n ASP 242 N -1.89 0.46 -4.72 -1.43 9.92 -0.81 -4.86 116.55 113.21 3iwo n ASP 242 Ca 0.04 -0.61 -0.41 0.00 -0.53 0.00 0.00 54.79 53.28 3iwo n ASP 242 Cb 0.26 -0.08 -0.04 0.00 -0.64 0.00 0.00 41.12 40.62 3iwo n ASP 242 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3iwo s ILE 243 N -2.43 4.87 0.13 0.53 1.01 -0.71 -4.97 121.20 119.62 3iwo s ILE 243 Ca 0.30 1.73 -0.03 0.00 0.00 0.00 0.00 60.65 62.66 3iwo s ILE 243 Cb 0.20 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 3iwo s ILE 243 CO 0.46 0.26 1.30 0.78 0.00 0.00 0.00 174.94 177.74 3iwo h ASN 244 N 6.39 0.45 -2.91 3.58 2.35 -1.89 -3.43 115.58 120.12 3iwo h ASN 244 Ca -0.42 -0.38 -0.57 0.00 -0.55 0.00 0.00 56.30 54.39 3iwo h ASN 244 Cb 1.21 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 3iwo h ASN 244 CO 0.74 1.19 1.08 -1.61 -1.65 0.00 0.00 177.43 177.18 3iwo s GLU 245 N -3.17 3.80 0.17 0.81 8.01 -1.26 -4.91 118.70 122.15 3iwo s GLU 245 Ca -0.05 1.48 -0.13 0.00 0.01 0.00 0.00 54.97 56.28 3iwo s GLU 245 Cb 0.09 -3.99 0.07 0.00 -4.31 0.00 0.00 34.13 25.99 3iwo s GLU 245 CO 0.86 -1.28 1.76 0.87 0.01 0.00 0.00 175.26 177.47 3iwo h LYS 246 N 10.37 0.84 -0.16 1.61 6.56 -2.00 -1.26 116.57 132.53 3iwo h LYS 246 Ca -0.31 -0.12 -0.13 0.00 -1.06 0.00 0.00 60.65 59.03 3iwo h LYS 246 Cb 1.13 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 3iwo h LYS 246 CO 1.02 0.68 -0.44 1.79 -2.06 0.00 0.00 179.45 180.44 3iwo h THR 247 N 0.79 1.32 -0.46 -0.16 1.35 -1.92 -1.98 112.91 111.85 3iwo h THR 247 Ca 0.20 -1.61 -0.13 0.00 -0.55 0.00 0.00 66.41 64.31 3iwo h THR 247 Cb 0.12 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3iwo h THR 247 CO -0.03 0.49 -0.23 0.25 -0.25 0.00 0.00 175.52 175.76 3iwo h LEU 248 N 0.32 0.99 -0.16 3.87 5.85 -1.83 0.96 115.31 125.33 3iwo h LEU 248 Ca 0.02 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.37 3iwo h LEU 248 Cb 0.90 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3iwo h LEU 248 CO 0.08 1.18 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.70 3iwo h GLN 249 N 0.81 0.00 -0.50 1.25 4.15 -1.02 -0.37 115.11 119.43 3iwo h GLN 249 Ca 0.10 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 3iwo h GLN 249 Cb 0.80 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 3iwo h GLN 249 CO 0.07 0.00 -0.11 1.96 -1.93 0.00 0.00 178.83 178.82 3iwo h GLN 250 N 0.00 0.93 -0.71 1.69 4.20 -1.25 -2.67 115.11 117.30 3iwo h GLN 250 Ca 0.08 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.48 3iwo h GLN 250 Cb 0.12 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 3iwo h GLN 250 CO -0.16 0.98 0.45 0.78 -0.67 0.00 0.00 178.83 180.21 3iwo h GLY 251 N 0.96 1.02 0.82 3.46 0.00 -0.31 0.66 103.07 109.68 3iwo h GLY 251 Ca 0.13 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3iwo h GLY 251 CO 0.04 0.30 0.23 -2.22 0.00 0.00 0.00 176.54 174.90 3iwo h ILE 252 N 0.89 1.00 -0.71 2.60 2.04 -0.90 -2.21 117.51 120.22 3iwo h ILE 252 Ca 0.28 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3iwo h ILE 252 Cb -0.01 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3iwo h ILE 252 CO -0.10 0.09 0.35 1.56 0.00 0.00 0.00 178.15 180.04 3iwo h GLN 253 N 0.47 1.01 -0.12 2.37 4.20 -1.03 -2.14 115.11 119.87 3iwo h GLN 253 Ca 0.18 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3iwo h GLN 253 Cb 0.07 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3iwo h GLN 253 CO -0.11 0.79 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.63 3iwo h LEU 254 N 0.98 0.17 -0.47 1.46 3.38 -0.71 -2.39 115.31 117.73 3iwo h LEU 254 Ca 0.24 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3iwo h LEU 254 Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iwo h LEU 254 CO -0.03 0.33 -0.30 0.00 0.09 0.00 0.00 178.44 178.53 3iwo h ALA 255 N 1.69 0.87 -0.30 1.53 0.00 -0.76 -2.74 119.26 119.55 3iwo h ALA 255 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3iwo h ALA 255 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iwo h ALA 255 CO 0.02 0.38 0.00 1.04 0.00 0.00 0.00 179.25 180.69 3iwo n GLN 256 N -3.27 2.00 -2.21 0.00 6.02 -0.93 -0.96 117.38 118.03 3iwo n GLN 256 Ca 0.02 -1.53 -0.34 0.00 -0.01 0.00 0.00 57.00 55.13 3iwo n GLN 256 Cb 0.57 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.43 3iwo n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3iwo s SER 257 N -1.38 5.76 -0.41 1.08 0.01 -1.01 -3.83 113.70 113.93 3iwo s SER 257 Ca 0.33 2.05 -0.18 0.00 1.31 0.00 0.00 55.95 59.46 3iwo s SER 257 Cb 0.18 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.86 3iwo s SER 257 CO 0.26 -1.19 0.49 -0.13 0.41 0.00 0.00 173.24 173.08 3iwo s ARG 258 N -3.49 3.22 -0.16 12.44 0.52 -0.02 -3.98 118.95 127.49 3iwo s ARG 258 Ca 0.70 -0.58 0.12 0.00 -0.52 0.00 0.00 55.73 55.44 3iwo s ARG 258 Cb -0.21 -3.94 -0.23 0.00 0.52 0.00 0.00 34.95 31.09 3iwo s ARG 258 CO 0.29 -0.85 0.21 0.66 0.02 0.00 0.00 175.30 175.63 3iwo n TYR 259 N 5.76 0.39 -3.89 -0.53 4.01 -0.41 -2.38 117.16 120.11 3iwo n TYR 259 Ca -0.06 0.12 -0.10 0.00 -0.16 0.00 0.00 57.90 57.70 3iwo n TYR 259 Cb 0.48 -1.07 -0.09 0.00 -0.31 0.00 0.00 39.34 38.35 3iwo n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3iwo s TRP 260 N -2.53 0.12 -0.05 -0.72 0.52 -1.24 -1.87 118.94 113.16 3iwo s TRP 260 Ca -0.14 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.67 3iwo s TRP 260 Cb 0.07 -0.08 0.00 0.00 -1.15 0.00 0.00 33.47 32.31 3iwo s TRP 260 CO 0.79 -0.38 -0.16 -1.14 0.02 0.00 0.00 176.95 176.08 3iwo s GLN 261 N -2.38 1.81 -0.15 4.98 0.74 -0.13 -1.26 119.66 123.28 3iwo s GLN 261 Ca -0.07 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.75 3iwo s GLN 261 Cb -0.02 -1.54 0.05 0.00 1.10 0.00 0.00 33.01 32.59 3iwo s GLN 261 CO -0.03 0.19 0.02 -0.08 -0.55 0.00 0.00 175.29 174.84 3iwo s THR 262 N 0.19 0.49 0.00 -0.34 -1.32 -0.15 -1.41 115.64 113.09 3iwo s THR 262 Ca -0.07 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3iwo s THR 262 Cb -0.13 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 3iwo s THR 262 CO 0.03 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 3iwo n GLY 263 N 5.08 3.66 0.69 6.08 0.00 -1.26 -1.09 105.19 118.36 3iwo n GLY 263 Ca -0.08 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3iwo n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iwo n ASP 264 N 8.92 2.28 -4.79 1.61 8.00 -1.26 -4.96 116.55 126.35 3iwo n ASP 264 Ca 0.00 -1.69 -0.33 0.00 0.71 0.00 0.00 54.79 53.48 3iwo n ASP 264 Cb 0.00 0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 3iwo n ASP 264 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3iwo s MET 265 N -2.14 3.10 -0.08 -1.24 1.75 -0.25 -4.46 119.30 116.00 3iwo s MET 265 Ca 0.28 -0.47 0.04 0.00 -1.25 0.00 0.00 55.69 54.30 3iwo s MET 265 Cb 0.20 -2.88 -0.01 0.00 2.84 0.00 0.00 34.83 34.97 3iwo s MET 265 CO 0.38 0.65 -0.21 0.71 -0.65 0.00 0.00 175.02 175.90 3iwo s TYR 266 N -1.20 2.57 -0.23 4.11 2.02 0.74 -0.98 117.35 124.38 3iwo s TYR 266 Ca 0.23 -0.70 -0.19 0.00 -0.37 0.00 0.00 57.07 56.04 3iwo s TYR 266 Cb -0.12 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3iwo s TYR 266 CO 0.14 -0.21 0.55 -1.14 -1.57 0.00 0.00 175.55 173.32 3iwo s GLN 267 N -0.03 4.15 0.00 -0.62 2.00 -0.39 -1.05 119.66 123.72 3iwo s GLN 267 Ca -0.06 0.44 0.00 0.00 -2.00 0.00 0.00 55.36 53.73 3iwo s GLN 267 Cb -0.15 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.06 3iwo s GLN 267 CO 0.05 -0.26 0.00 0.41 -0.50 0.00 0.00 175.29 174.99 3iwo n GLY 268 N 4.06 1.78 3.41 2.59 0.00 0.16 -1.29 105.19 115.90 3iwo n GLY 268 Ca -0.03 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 3iwo n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwo s LEU 269 N 0.00 5.34 0.00 0.99 1.43 -0.13 -4.59 118.68 121.72 3iwo s LEU 269 Ca 0.00 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 3iwo s LEU 269 Cb 0.00 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3iwo s LEU 269 CO 0.00 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.34 3iwo n GLY 270 N 5.21 1.87 3.73 -3.19 0.00 -1.26 -4.41 105.19 107.14 3iwo n GLY 270 Ca -0.09 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3iwo n GLY 270 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iwo n TRP 271 N 0.00 2.09 -4.48 1.61 7.02 -1.26 -4.65 117.44 117.76 3iwo n TRP 271 Ca 0.00 0.42 -0.26 0.00 -1.02 0.00 0.00 57.50 56.65 3iwo n TRP 271 Cb 0.00 -2.31 -0.13 0.00 -2.42 0.00 0.00 31.31 26.45 3iwo n TRP 271 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3iwo s GLU 272 N -3.16 1.30 0.03 -0.99 2.02 -0.93 -0.67 118.70 116.30 3iwo s GLU 272 Ca 0.78 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 54.69 3iwo s GLU 272 Cb -0.40 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 3iwo s GLU 272 CO 0.44 0.37 -0.05 -1.64 0.02 0.00 0.00 175.26 174.40 3iwo s MET 273 N -1.59 0.40 0.10 1.61 -1.94 -0.21 -0.93 119.30 116.74 3iwo s MET 273 Ca 0.08 -0.59 0.06 0.00 -1.71 0.00 0.00 55.69 53.53 3iwo s MET 273 Cb -0.10 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.56 3iwo s MET 273 CO 0.03 0.02 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.41 3iwo s LEU 274 N -1.26 2.36 0.32 -0.03 1.02 -0.59 -0.19 118.68 120.31 3iwo s LEU 274 Ca -0.10 -0.74 -0.29 0.00 0.02 0.00 0.00 54.13 53.02 3iwo s LEU 274 Cb -0.08 -0.54 -0.11 0.00 0.02 0.00 0.00 46.19 45.48 3iwo s LEU 274 CO -0.00 -0.12 1.48 -1.81 0.02 0.00 0.00 176.35 175.92 3iwo s ASP 275 N -2.19 6.48 -0.16 2.29 1.01 -1.26 -0.61 116.67 122.23 3iwo s ASP 275 Ca 0.05 2.89 -0.08 0.00 0.71 0.00 0.00 52.55 56.11 3iwo s ASP 275 Cb -0.07 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 3iwo s ASP 275 CO 0.03 -0.80 0.13 0.86 0.21 0.00 0.00 175.17 175.60 3iwo s TRP 276 N -0.55 3.49 0.34 4.23 -0.11 -0.05 -3.34 118.94 122.95 3iwo s TRP 276 Ca 0.57 0.42 -0.26 0.00 1.22 0.00 0.00 56.10 58.04 3iwo s TRP 276 Cb -0.45 -2.04 -0.09 0.00 -1.50 0.00 0.00 33.47 29.38 3iwo s TRP 276 CO 0.53 0.51 1.01 -1.25 -4.62 0.00 0.00 176.95 173.12 3iwo s PRO 277 N -0.34 4.45 0.04 5.86 0.04 -1.26 -4.73 135.00 139.07 3iwo s PRO 277 Ca 0.11 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.66 3iwo s PRO 277 Cb -0.12 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 3iwo s PRO 277 CO 0.01 0.12 0.02 0.14 0.04 0.00 0.00 177.00 177.33 3iwo s VAL 278 N -1.54 4.21 0.20 -0.36 -7.23 -1.21 -5.10 120.40 109.37 3iwo s VAL 278 Ca 0.52 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 3iwo s VAL 278 Cb -0.22 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.69 3iwo s VAL 278 CO 0.28 0.24 0.98 0.54 -0.31 0.00 0.00 175.10 176.84 3iwo s ASN 279 N -1.97 7.52 0.42 4.85 4.22 -1.26 -4.97 114.94 123.76 3iwo s ASN 279 Ca 0.24 1.95 0.16 0.00 -2.14 0.00 0.00 52.86 53.07 3iwo s ASN 279 Cb -0.12 -2.60 0.93 0.00 1.28 0.00 0.00 41.25 40.74 3iwo s ASN 279 CO 0.15 0.02 1.91 -0.65 -2.04 0.00 0.00 177.10 176.49 3iwo h PRO 280 N 4.65 0.00 -0.85 3.55 0.11 -2.01 -2.18 132.00 135.27 3iwo h PRO 280 Ca -0.44 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 3iwo h PRO 280 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3iwo h PRO 280 CO 0.70 0.27 0.56 -0.44 -0.21 0.00 0.00 178.00 178.87 3iwo h ASP 281 N 0.00 0.88 1.37 -2.05 3.32 -1.99 -3.03 116.42 114.91 3iwo h ASP 281 Ca -0.00 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3iwo h ASP 281 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3iwo h ASP 281 CO 0.04 0.59 -0.50 0.77 -1.72 0.00 0.00 179.24 178.41 3iwo h SER 282 N 1.01 0.00 -0.74 6.45 4.64 -1.80 -3.25 113.55 119.86 3iwo h SER 282 Ca 0.35 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.63 3iwo h SER 282 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3iwo h SER 282 CO -0.11 0.50 0.32 0.40 -0.87 0.00 0.00 176.83 177.07 3iwo h ILE 283 N 0.00 1.25 -4.38 0.95 2.04 -1.46 -3.49 117.51 112.42 3iwo h ILE 283 Ca -0.00 -0.75 -0.49 0.00 1.00 0.00 0.00 64.86 64.62 3iwo h ILE 283 Cb 1.32 0.36 0.07 0.00 -0.74 0.00 0.00 36.82 37.83 3iwo h ILE 283 CO 0.06 0.31 0.39 -0.63 0.00 0.00 0.00 178.15 178.28 3iwo s ILE 284 N -5.61 3.55 0.00 -0.67 1.01 -1.23 -5.13 121.20 113.11 3iwo s ILE 284 Ca -0.13 0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3iwo s ILE 284 Cb 0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3iwo s ILE 284 CO 0.82 -0.63 0.00 0.00 0.00 0.00 0.00 174.94 175.13 3iwo n ILE 291 N -2.95 0.00 0.03 2.92 0.13 -1.26 -5.10 119.36 113.13 3iwo n ILE 291 Ca 0.07 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.55 3iwo n ILE 291 Cb 0.57 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.31 3iwo n ILE 291 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3iwo h ALA 292 N 0.00 0.31 -3.28 1.51 0.00 -2.09 -3.43 119.26 112.28 3iwo h ALA 292 Ca 0.00 -0.66 -0.32 0.00 0.00 0.00 0.00 54.91 53.93 3iwo h ALA 292 Cb 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.43 3iwo h ALA 292 CO 0.00 0.73 -0.69 -1.17 0.00 0.00 0.00 179.25 178.12 3iwo s LEU 293 N -8.09 0.33 -0.31 0.00 0.20 -1.26 -5.04 118.68 104.51 3iwo s LEU 293 Ca -0.08 0.17 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 3iwo s LEU 293 Cb 0.08 0.05 0.10 0.00 -0.43 0.00 0.00 46.19 45.99 3iwo s LEU 293 CO 0.89 -0.21 0.09 0.00 -0.29 0.00 0.00 176.35 176.83 3iwo s ALA 294 N 1.87 1.61 -0.08 5.97 0.00 -1.26 -5.10 121.76 124.76 3iwo s ALA 294 Ca -0.00 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.04 3iwo s ALA 294 Cb -0.12 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 3iwo s ALA 294 CO -0.04 -1.64 0.74 0.00 0.00 0.00 0.00 175.76 174.82 3iwo s ALA 295 N 1.58 3.35 -0.06 0.00 0.00 -1.26 -4.62 121.76 120.74 3iwo s ALA 295 Ca 0.09 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.20 3iwo s ALA 295 Cb -0.17 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.94 3iwo s ALA 295 CO -0.23 -0.20 -0.05 1.03 0.00 0.00 0.00 175.76 176.30 3iwo s ARG 296 N 1.03 0.99 0.45 0.00 0.52 -0.77 -4.98 118.95 116.20 3iwo s ARG 296 Ca 0.39 -0.13 -0.25 0.00 -0.52 0.00 0.00 55.73 55.21 3iwo s ARG 296 Cb -0.18 -1.01 -0.08 0.00 0.52 0.00 0.00 34.95 34.19 3iwo s ARG 296 CO 0.18 -0.12 1.40 -2.30 0.02 0.00 0.00 175.30 174.49 3iwo n PRO 297 N 4.27 2.18 -4.47 3.54 -0.02 -1.26 -0.22 135.00 139.02 3iwo n PRO 297 Ca -0.21 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 3iwo n PRO 297 Cb 0.51 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 3iwo n PRO 297 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3iwo s VAL 298 N -1.20 2.39 -0.18 -1.45 -7.23 -0.77 -4.68 120.40 107.29 3iwo s VAL 298 Ca 0.61 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.07 3iwo s VAL 298 Cb -0.46 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3iwo s VAL 298 CO 0.57 0.15 0.16 -0.75 -0.31 0.00 0.00 175.10 174.92 3iwo s LYS 299 N -1.91 4.09 0.25 4.82 2.20 -0.50 -4.80 119.74 123.89 3iwo s LYS 299 Ca 0.14 -0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 3iwo s LYS 299 Cb -0.10 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 3iwo s LYS 299 CO 0.06 0.36 1.17 0.00 -0.36 0.00 0.00 175.35 176.58 3iwo s ALA 300 N 0.16 3.43 -0.44 3.13 0.00 -1.26 -0.96 121.76 125.82 3iwo s ALA 300 Ca 0.10 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 3iwo s ALA 300 Cb -0.11 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.67 3iwo s ALA 300 CO -0.00 -0.31 0.35 0.42 0.00 0.00 0.00 175.76 176.22 3iwo s ILE 301 N -0.70 5.23 -0.30 0.00 -1.09 -0.78 -4.90 121.20 118.66 3iwo s ILE 301 Ca 0.49 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 3iwo s ILE 301 Cb -0.33 -4.03 0.08 0.00 -1.58 0.00 0.00 42.46 36.59 3iwo s ILE 301 CO 0.41 -0.46 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.75 3iwo s THR 302 N 1.66 2.31 0.75 2.92 2.01 -1.26 -2.13 115.64 121.89 3iwo s THR 302 Ca 0.04 -1.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.03 3iwo s THR 302 Cb -0.22 -2.52 0.10 0.00 0.01 0.00 0.00 72.50 69.87 3iwo s THR 302 CO 0.08 -0.30 1.06 -2.16 -0.69 0.00 0.00 174.62 172.61 3iwo s PRO 303 N 1.03 1.81 0.45 4.92 0.04 -1.26 -5.09 135.00 136.89 3iwo s PRO 303 Ca 0.00 -0.48 -0.25 0.00 0.04 0.00 0.00 61.00 60.31 3iwo s PRO 303 Cb -0.20 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 3iwo s PRO 303 CO -0.06 -1.49 1.45 -2.14 0.04 0.00 0.00 177.00 174.80 3iwo s PRO 304 N -5.33 3.69 -0.01 0.56 0.02 -0.91 -4.94 135.00 128.08 3iwo s PRO 304 Ca 0.64 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.82 3iwo s PRO 304 Cb -0.08 -2.67 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 3iwo s PRO 304 CO 0.46 -0.83 1.17 0.99 -0.33 0.00 0.00 177.00 178.46 3iwo s THR 305 N -1.19 4.26 0.77 0.99 2.01 -1.00 -4.83 115.64 116.65 3iwo s THR 305 Ca 0.61 1.60 -0.14 0.00 0.31 0.00 0.00 61.69 64.07 3iwo s THR 305 Cb -0.45 -4.03 0.06 0.00 0.01 0.00 0.00 72.50 68.10 3iwo s THR 305 CO 0.58 0.05 1.21 -2.84 -0.69 0.00 0.00 174.62 172.93 3iwo s PRO 306 N 1.71 1.89 -0.35 4.92 0.02 -1.26 -0.84 135.00 141.09 3iwo s PRO 306 Ca 0.56 1.77 -0.32 0.00 0.02 0.00 0.00 61.00 63.03 3iwo s PRO 306 Cb -0.26 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.32 3iwo s PRO 306 CO 0.25 -2.03 1.21 0.00 -0.33 0.00 0.00 177.00 176.10 3iwo n ALA 307 N -2.99 -0.68 -2.61 -1.55 0.00 -1.25 -4.75 120.51 106.68 3iwo n ALA 307 Ca 0.14 0.29 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 3iwo n ALA 307 Cb 0.50 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 3iwo n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iwo s VAL 308 N 2.60 4.95 0.30 0.00 1.01 -1.26 -4.96 120.40 123.04 3iwo s VAL 308 Ca 0.76 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.75 3iwo s VAL 308 Cb -1.04 -3.98 0.28 0.00 0.00 0.00 0.00 36.38 31.64 3iwo s VAL 308 CO 0.54 -0.07 1.90 0.03 0.00 0.00 0.00 175.10 177.50 3iwo h ARG 309 N 8.05 0.97 -3.54 2.72 3.08 -1.97 -3.14 114.38 120.54 3iwo h ARG 309 Ca -0.27 -0.06 -0.72 0.00 0.07 0.00 0.00 59.98 59.01 3iwo h ARG 309 Cb 1.12 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.88 3iwo h ARG 309 CO 0.79 0.64 2.87 0.00 -1.07 0.00 0.00 179.97 183.20 3iwo n ALA 310 N -2.39 5.98 -2.80 0.04 0.00 -1.26 -0.97 120.51 119.11 3iwo n ALA 310 Ca 0.15 -3.97 -0.15 0.00 0.00 0.00 0.00 53.44 49.47 3iwo n ALA 310 Cb 0.24 -3.27 -0.12 0.00 0.00 0.00 0.00 19.45 16.30 3iwo n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iwo s SER 311 N 2.05 1.09 -0.43 0.00 0.01 -1.19 -0.87 113.70 114.36 3iwo s SER 311 Ca 0.49 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 57.03 3iwo s SER 311 Cb 0.14 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.38 3iwo s SER 311 CO -0.06 -0.13 0.69 0.86 0.41 0.00 0.00 173.24 175.01 3iwo s TRP 312 N -1.18 3.06 -0.16 2.43 -0.11 0.22 -4.00 118.94 119.20 3iwo s TRP 312 Ca -0.06 0.08 -0.05 0.00 1.22 0.00 0.00 56.10 57.29 3iwo s TRP 312 Cb -0.09 -3.41 -0.03 0.00 -1.50 0.00 0.00 33.47 28.44 3iwo s TRP 312 CO 0.01 -0.86 0.00 0.08 -4.62 0.00 0.00 176.95 171.56 3iwo s VAL 313 N 2.94 4.25 0.24 5.86 1.01 0.31 -1.54 120.40 133.48 3iwo s VAL 313 Ca 0.25 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 3iwo s VAL 313 Cb -0.14 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3iwo s VAL 313 CO 0.19 0.49 0.54 -1.38 0.00 0.00 0.00 175.10 174.95 3iwo s HIS 314 N 0.23 0.07 -0.28 5.22 -0.00 -0.10 -0.43 115.29 120.00 3iwo s HIS 314 Ca 0.00 -0.45 -0.18 0.00 -0.00 0.00 0.00 55.06 54.43 3iwo s HIS 314 Cb -0.13 0.37 0.08 0.00 -0.00 0.00 0.00 32.58 32.91 3iwo s HIS 314 CO 0.02 -1.02 0.73 0.21 -0.00 0.00 0.00 174.74 174.68 3iwo s LYS 315 N -3.95 0.70 0.34 -0.38 2.47 -0.54 -2.20 119.74 116.19 3iwo s LYS 315 Ca 0.15 1.12 -0.02 0.00 -1.56 0.00 0.00 55.97 55.66 3iwo s LYS 315 Cb -0.02 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.50 3iwo s LYS 315 CO 0.04 -0.13 0.58 0.95 0.16 0.00 0.00 175.35 176.95 3iwo s THR 316 N 1.32 5.05 -0.12 3.43 -4.23 -1.26 -2.03 115.64 117.80 3iwo s THR 316 Ca -0.08 -0.18 -0.16 0.00 -1.18 0.00 0.00 61.69 60.10 3iwo s THR 316 Cb -0.05 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.02 3iwo s THR 316 CO -0.15 -0.50 0.41 -0.83 -0.54 0.00 0.00 174.62 173.01 3iwo s GLY 317 N -3.69 -0.29 -0.02 3.99 0.00 -0.24 -3.56 107.32 103.50 3iwo s GLY 317 Ca 0.42 1.00 -0.11 0.00 0.00 0.00 0.00 44.72 46.04 3iwo s GLY 317 CO 0.35 0.81 0.22 0.00 0.00 0.00 0.00 173.10 174.48 3iwo s ALA 318 N -0.20 -0.55 0.29 3.20 0.00 -1.26 -0.30 121.76 122.94 3iwo s ALA 318 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3iwo s ALA 318 Cb -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3iwo s ALA 318 CO 0.02 -0.21 0.01 0.25 0.00 0.00 0.00 175.76 175.82 3iwo n THR 319 N 1.62 0.00 -0.18 0.00 -2.24 -0.70 -4.02 114.28 108.76 3iwo n THR 319 Ca -0.21 -1.42 0.17 0.00 -2.27 0.00 0.00 64.05 60.32 3iwo n THR 319 Cb 0.56 0.31 0.51 0.00 -2.10 0.00 0.00 70.33 69.61 3iwo n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3iwo h GLY 320 N 0.75 0.73 -0.10 3.38 0.00 -1.97 -3.10 103.07 102.77 3iwo h GLY 320 Ca -0.24 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3iwo h GLY 320 CO 0.40 0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.60 3iwo n GLY 321 N -1.52 -0.93 3.10 4.60 0.00 -1.26 -4.54 105.19 104.64 3iwo n GLY 321 Ca 0.16 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3iwo n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwo s PHE 322 N -0.19 0.75 -0.04 1.61 0.40 -1.17 -2.19 117.98 117.15 3iwo s PHE 322 Ca 0.01 -0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 3iwo s PHE 322 Cb 0.01 -0.44 0.03 0.00 0.51 0.00 0.00 43.02 43.13 3iwo s PHE 322 CO 0.01 -0.10 0.02 0.20 0.70 0.00 0.00 175.22 176.05 3iwo s GLY 323 N -2.04 0.25 0.14 4.36 0.00 -0.56 -1.72 107.32 107.75 3iwo s GLY 323 Ca -0.03 0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.90 3iwo s GLY 323 CO -0.01 0.91 -0.15 -1.35 0.00 0.00 0.00 173.10 172.50 3iwo s SER 324 N 1.49 2.26 -0.14 1.64 1.04 0.59 -1.42 113.70 119.16 3iwo s SER 324 Ca -0.03 -0.85 -0.12 0.00 0.48 0.00 0.00 55.95 55.43 3iwo s SER 324 Cb -0.13 -0.10 0.04 0.00 0.10 0.00 0.00 66.02 65.93 3iwo s SER 324 CO -0.03 -0.12 0.36 -0.47 0.98 0.00 0.00 173.24 173.97 3iwo s TYR 325 N -2.20 -0.42 -0.02 5.02 5.04 -0.30 -1.08 117.35 123.39 3iwo s TYR 325 Ca 0.12 0.99 0.02 0.00 -2.44 0.00 0.00 57.07 55.77 3iwo s TYR 325 Cb -0.05 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.41 3iwo s TYR 325 CO 0.04 -0.21 -0.08 0.08 -1.34 0.00 0.00 175.55 174.04 3iwo s VAL 326 N 0.42 0.74 -0.06 3.14 1.01 -0.86 -0.54 120.40 124.24 3iwo s VAL 326 Ca -0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3iwo s VAL 326 Cb -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3iwo s VAL 326 CO -0.02 0.23 0.28 0.00 0.00 0.00 0.00 175.10 175.60 3iwo s ALA 327 N 0.20 -0.70 0.10 5.51 0.00 -0.72 -1.47 121.76 124.69 3iwo s ALA 327 Ca -0.03 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 3iwo s ALA 327 Cb -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3iwo s ALA 327 CO 0.00 -0.19 0.37 -0.59 0.00 0.00 0.00 175.76 175.35 3iwo s PHE 328 N -0.59 -0.15 -0.32 0.00 -0.71 0.43 -0.54 117.98 116.10 3iwo s PHE 328 Ca -0.07 -0.13 -0.00 0.00 -1.04 0.00 0.00 56.93 55.69 3iwo s PHE 328 Cb -0.04 0.20 0.10 0.00 -1.21 0.00 0.00 43.02 42.07 3iwo s PHE 328 CO 0.02 -0.65 0.10 0.42 -1.34 0.00 0.00 175.22 173.77 3iwo s ILE 329 N -3.55 1.07 0.27 -4.49 1.01 0.04 -0.53 121.20 115.02 3iwo s ILE 329 Ca 0.02 -1.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.09 3iwo s ILE 329 Cb 0.02 -1.81 0.25 0.00 0.01 0.00 0.00 42.46 40.93 3iwo s ILE 329 CO -0.10 -0.68 1.82 -0.65 0.00 0.00 0.00 174.94 175.33 3iwo h PRO 330 N 7.98 0.85 -0.75 2.79 0.11 -1.68 -1.34 132.00 139.95 3iwo h PRO 330 Ca -0.12 -0.05 0.15 0.00 0.11 0.00 0.00 66.00 66.09 3iwo h PRO 330 Cb 1.01 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.88 3iwo h PRO 330 CO 0.48 0.56 0.50 1.49 -0.21 0.00 0.00 178.00 180.82 3iwo h GLU 331 N 0.87 0.41 -0.02 1.05 4.81 -1.36 -1.92 114.58 118.42 3iwo h GLU 331 Ca 0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3iwo h GLU 331 Cb 0.48 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3iwo h GLU 331 CO -0.27 0.27 -0.25 1.63 -0.73 0.00 0.00 179.01 179.66 3iwo n LYS 332 N -4.48 1.63 -3.76 1.92 4.76 -0.54 -4.97 118.16 112.72 3iwo n LYS 332 Ca 0.14 -1.28 -0.25 0.00 -2.87 0.00 0.00 58.31 54.04 3iwo n LYS 332 Cb 0.52 -1.41 0.04 0.00 -1.84 0.00 0.00 35.03 32.34 3iwo n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3iwo n GLU 333 N 0.47 -5.81 -4.47 1.97 1.02 -0.72 -4.59 120.64 108.50 3iwo n GLU 333 Ca 0.10 0.66 -0.20 0.00 -0.02 0.00 0.00 57.16 57.70 3iwo n GLU 333 Cb 0.47 -5.48 -0.15 0.00 -0.02 0.00 0.00 31.44 26.26 3iwo n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3iwo s LEU 334 N -7.02 2.05 0.13 -4.62 2.96 -1.19 -2.44 118.68 108.54 3iwo s LEU 334 Ca 0.39 -0.25 -0.26 0.00 -0.22 0.00 0.00 54.13 53.80 3iwo s LEU 334 Cb -0.19 -0.58 0.07 0.00 0.50 0.00 0.00 46.19 46.00 3iwo s LEU 334 CO 0.80 0.12 1.02 -0.83 -1.32 0.00 0.00 176.35 176.14 3iwo s GLY 335 N -0.41 -0.22 -0.08 7.98 0.00 -0.47 -0.78 107.32 113.33 3iwo s GLY 335 Ca 0.04 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.75 3iwo s GLY 335 CO -0.00 0.31 0.41 -1.50 0.00 0.00 0.00 173.10 172.32 3iwo s ILE 336 N -3.01 0.02 -0.05 0.90 2.07 0.30 -0.19 121.20 121.24 3iwo s ILE 336 Ca 0.14 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 3iwo s ILE 336 Cb -0.00 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.94 3iwo s ILE 336 CO 0.02 -0.11 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.14 3iwo s VAL 337 N -0.61 0.94 -0.17 4.00 1.01 -0.31 -1.75 120.40 123.50 3iwo s VAL 337 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3iwo s VAL 337 Cb -0.04 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.52 3iwo s VAL 337 CO 0.03 0.30 -0.09 -0.04 0.00 0.00 0.00 175.10 175.30 3iwo s MET 338 N 0.48 1.83 -0.12 2.72 -1.94 0.30 -1.25 119.30 121.32 3iwo s MET 338 Ca -0.09 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 3iwo s MET 338 Cb -0.13 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.56 3iwo s MET 338 CO 0.02 -0.38 -0.22 -0.51 -0.01 0.00 0.00 175.02 173.91 3iwo s LEU 339 N 1.52 2.13 0.02 -0.03 1.43 -0.05 -1.15 118.68 122.56 3iwo s LEU 339 Ca 0.01 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3iwo s LEU 339 Cb -0.15 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 3iwo s LEU 339 CO -0.08 0.11 -0.06 0.00 0.23 0.00 0.00 176.35 176.55 3iwo s ALA 340 N 0.61 0.49 -0.66 4.21 0.00 -0.51 -0.85 121.76 125.05 3iwo s ALA 340 Ca -0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3iwo s ALA 340 Cb -0.17 -0.01 0.37 0.00 0.00 0.00 0.00 23.12 23.32 3iwo s ALA 340 CO 0.03 0.02 2.08 0.27 0.00 0.00 0.00 175.76 178.16 3iwo n ASN 341 N 2.05 7.44 -3.82 0.00 6.94 -1.04 -1.49 115.26 125.34 3iwo n ASN 341 Ca -0.19 -3.67 -0.12 0.00 -0.02 0.00 0.00 54.58 50.58 3iwo n ASN 341 Cb 0.56 -1.03 -0.11 0.00 -2.36 0.00 0.00 39.78 36.84 3iwo n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3iwo s LYS 342 N -3.50 0.30 -0.85 -3.83 2.20 -0.99 -2.09 119.74 110.99 3iwo s LYS 342 Ca 0.57 0.11 -0.23 0.00 -0.36 0.00 0.00 55.97 56.06 3iwo s LYS 342 Cb 0.45 0.14 0.07 0.00 -1.51 0.00 0.00 37.83 36.97 3iwo s LYS 342 CO -0.13 -0.05 1.23 1.21 -0.36 0.00 0.00 175.35 177.25 3iwo s ASN 343 N -0.27 6.37 0.30 1.43 2.47 -1.25 -2.08 114.94 121.91 3iwo s ASN 343 Ca -0.04 -1.22 0.08 0.00 0.42 0.00 0.00 52.86 52.11 3iwo s ASN 343 Cb -0.03 -2.50 -0.04 0.00 -1.45 0.00 0.00 41.25 37.24 3iwo s ASN 343 CO 0.01 -1.48 0.17 -0.72 -3.72 0.00 0.00 177.10 171.35 3iwo s TYR 344 N 4.47 2.85 0.30 0.43 -0.85 -1.26 -4.95 117.35 118.34 3iwo s TYR 344 Ca 0.35 -0.27 -0.29 0.00 -0.52 0.00 0.00 57.07 56.34 3iwo s TYR 344 Cb -0.07 -1.54 -0.13 0.00 0.38 0.00 0.00 41.96 40.60 3iwo s TYR 344 CO 0.01 0.39 1.35 -2.30 -1.52 0.00 0.00 175.55 173.49 3iwo n PRO 345 N -1.17 2.12 -0.33 -3.49 -0.02 -1.26 -4.90 135.00 125.95 3iwo n PRO 345 Ca -0.04 0.75 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 3iwo n PRO 345 Cb 0.60 -2.37 0.23 0.00 -0.02 0.00 0.00 33.50 31.94 3iwo n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3iwo h ASN 346 N 3.34 0.76 -0.19 2.55 2.35 -2.00 -2.65 115.58 119.74 3iwo h ASN 346 Ca -0.46 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.33 3iwo h ASN 346 Cb 1.28 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 3iwo h ASN 346 CO 0.69 0.37 0.04 -0.65 -1.65 0.00 0.00 177.43 176.23 3iwo h PRO 347 N 0.83 0.41 -0.76 0.81 0.11 -2.00 -1.72 132.00 129.68 3iwo h PRO 347 Ca 0.48 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 3iwo h PRO 347 Cb 0.57 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 3iwo h PRO 347 CO -0.30 0.41 0.46 0.00 -0.21 0.00 0.00 178.00 178.36 3iwo h ALA 348 N 1.64 0.97 0.45 -0.75 0.00 -1.85 -0.41 119.26 119.31 3iwo h ALA 348 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iwo h ALA 348 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iwo h ALA 348 CO 0.00 0.43 -0.40 0.00 0.00 0.00 0.00 179.25 179.28 3iwo h ARG 349 N 1.04 -0.82 -0.70 0.00 3.08 -1.27 -2.31 114.38 113.40 3iwo h ARG 349 Ca 0.27 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3iwo h ARG 349 Cb -0.04 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3iwo h ARG 349 CO -0.05 -0.55 0.38 0.28 -1.07 0.00 0.00 179.97 178.96 3iwo h VAL 350 N -0.85 1.22 -0.09 2.04 2.07 -1.25 -0.76 116.25 118.61 3iwo h VAL 350 Ca -0.04 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3iwo h VAL 350 Cb 0.75 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3iwo h VAL 350 CO -0.04 0.24 -0.07 -0.78 0.02 0.00 0.00 177.57 176.94 3iwo h ASP 351 N 0.96 -0.23 -0.21 0.57 1.82 -1.08 0.14 116.42 118.38 3iwo h ASP 351 Ca 0.24 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 3iwo h ASP 351 Cb 0.04 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 3iwo h ASP 351 CO -0.04 -0.10 0.13 0.00 -1.61 0.00 0.00 179.24 177.62 3iwo h ALA 352 N 0.99 0.26 -0.63 -0.78 0.00 -1.20 -0.96 119.26 116.95 3iwo h ALA 352 Ca 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3iwo h ALA 352 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3iwo h ALA 352 CO -0.15 -0.25 0.39 0.00 0.00 0.00 0.00 179.25 179.24 3iwo h ALA 353 N 1.06 0.81 -0.60 0.00 0.00 -0.90 -2.12 119.26 117.52 3iwo h ALA 353 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3iwo h ALA 353 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3iwo h ALA 353 CO -0.02 0.15 0.01 2.35 0.00 0.00 0.00 179.25 181.75 3iwo h TRP 354 N 0.78 1.13 -0.43 0.00 7.01 -0.59 -1.21 115.95 122.63 3iwo h TRP 354 Ca 0.25 -0.18 0.03 0.00 2.11 0.00 0.00 58.89 61.09 3iwo h TRP 354 Cb 0.00 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 3iwo h TRP 354 CO -0.05 0.99 0.23 0.37 -2.79 0.00 0.00 178.44 177.19 3iwo h GLN 355 N 0.96 0.45 0.19 2.65 5.75 -0.89 0.20 115.11 124.41 3iwo h GLN 355 Ca 0.17 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3iwo h GLN 355 Cb 0.53 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.98 3iwo h GLN 355 CO 0.03 0.30 -0.09 0.82 -2.65 0.00 0.00 178.83 177.23 3iwo h ILE 356 N 0.46 0.92 -0.41 2.39 2.04 -1.22 -2.65 117.51 119.05 3iwo h ILE 356 Ca 0.18 -0.64 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 3iwo h ILE 356 Cb 0.07 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3iwo h ILE 356 CO -0.11 0.14 -0.29 -0.07 0.00 0.00 0.00 178.15 177.82 3iwo h LEU 357 N -0.57 0.93 -0.59 1.44 3.38 -1.14 -2.75 115.31 116.01 3iwo h LEU 357 Ca -0.03 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3iwo h LEU 357 Cb 0.43 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3iwo h LEU 357 CO 0.04 1.15 0.27 -1.13 0.09 0.00 0.00 178.44 178.86 3iwo h ASN 358 N 0.75 0.33 -0.05 -0.43 -1.24 -0.67 -1.66 115.58 112.61 3iwo h ASN 358 Ca 0.08 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 3iwo h ASN 358 Cb 0.86 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 3iwo h ASN 358 CO 0.08 0.21 0.00 0.00 -1.29 0.00 0.00 177.43 176.43 3iwo h ALA 359 N 1.36 1.79 -0.01 1.57 0.00 -1.21 -2.91 119.26 119.85 3iwo h ALA 359 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3iwo h ALA 359 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iwo h ALA 359 CO -0.24 0.17 -0.47 1.28 0.00 0.00 0.00 179.25 179.99 3iwo n LEU 360 N -4.44 1.94 -0.10 0.00 4.77 -0.87 -5.12 117.00 113.18 3iwo n LEU 360 Ca -0.01 -0.71 0.16 0.00 -0.03 0.00 0.00 56.01 55.41 3iwo n LEU 360 Cb 0.14 -0.01 0.86 0.00 -2.33 0.00 0.00 43.42 42.08 3iwo n LEU 360 CO 0.35 0.36 1.06 1.67 -1.33 0.00 0.00 177.39 179.51