#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2o s LYS 2 N 0.00 3.02 -0.20 2.12 -2.85 -1.26 -5.02 119.74 115.55 3h2o s LYS 2 Ca 0.00 -0.84 -0.05 0.00 -1.00 0.00 0.00 55.97 54.08 3h2o s LYS 2 Cb 0.00 -2.51 -0.03 0.00 -2.06 0.00 0.00 37.83 33.24 3h2o s LYS 2 CO 0.00 -0.11 0.01 -1.58 0.10 0.00 0.00 175.35 173.77 3h2o s TRP 3 N 1.04 3.05 -1.82 1.78 0.52 -1.26 -4.95 118.94 117.31 3h2o s TRP 3 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.70 3h2o s TRP 3 Cb -0.14 -2.08 0.00 0.00 -1.15 0.00 0.00 33.47 30.09 3h2o s TRP 3 CO -0.07 -0.21 0.87 -0.40 0.02 0.00 0.00 176.95 177.16 3h2o n ASP 4 N 4.19 0.17 -3.76 2.95 3.85 -1.26 -4.85 116.55 117.85 3h2o n ASP 4 Ca -0.17 -1.91 -0.10 0.00 -0.71 0.00 0.00 54.79 51.90 3h2o n ASP 4 Cb 0.52 -0.09 -0.04 0.00 -1.35 0.00 0.00 41.12 40.16 3h2o n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h2o s TYR 5 N -1.82 -0.05 0.27 2.11 -0.85 -1.26 -5.17 117.35 110.58 3h2o s TYR 5 Ca 0.00 -0.29 0.10 0.00 -0.52 0.00 0.00 57.07 56.35 3h2o s TYR 5 Cb 0.00 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 3h2o s TYR 5 CO 0.00 -0.86 -0.00 -0.51 -1.52 0.00 0.00 175.55 172.66 3h2o s ASP 6 N -2.88 4.54 -1.16 -0.18 1.01 -1.26 -4.46 116.67 112.28 3h2o s ASP 6 Ca 0.10 -0.65 -0.21 0.00 0.71 0.00 0.00 52.55 52.49 3h2o s ASP 6 Cb 0.00 -0.84 0.04 0.00 1.01 0.00 0.00 42.92 43.14 3h2o s ASP 6 CO -0.04 -0.01 1.65 -0.76 0.21 0.00 0.00 175.17 176.23 3h2o s LEU 7 N -3.68 3.60 0.19 1.23 1.43 0.97 -4.93 118.68 117.49 3h2o s LEU 7 Ca 0.32 -1.89 -0.33 0.00 -1.03 0.00 0.00 54.13 51.20 3h2o s LEU 7 Cb -0.06 -2.58 -0.15 0.00 0.03 0.00 0.00 46.19 43.44 3h2o s LEU 7 CO 0.20 -1.55 1.33 0.54 0.23 0.00 0.00 176.35 177.10 3h2o n ARG 8 N 8.61 1.62 -3.03 1.70 5.12 -1.26 -1.55 116.66 127.87 3h2o n ARG 8 Ca 0.42 0.58 -0.17 0.00 -1.93 0.00 0.00 57.85 56.75 3h2o n ARG 8 Cb 0.48 -2.19 -0.01 0.00 -1.16 0.00 0.00 32.46 29.58 3h2o n ARG 8 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h2o n GLY 10 N 0.91 1.98 0.12 0.00 0.00 -1.26 -1.65 105.19 105.29 3h2o n GLY 10 Ca 0.18 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.64 3h2o n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h2o h GLU 11 N 0.00 0.00 -5.68 1.61 3.07 -2.01 -3.46 114.58 108.12 3h2o h GLU 11 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 3h2o h GLU 11 Cb 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.83 3h2o h GLU 11 CO 0.00 0.11 -0.34 0.71 -1.40 0.00 0.00 179.01 178.09 3h2o s TYR 12 N -3.20 3.58 -0.12 4.33 1.51 -0.66 -5.09 117.35 117.70 3h2o s TYR 12 Ca -0.00 0.69 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 3h2o s TYR 12 Cb 0.09 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 3h2o s TYR 12 CO 0.78 0.51 -0.13 0.99 -1.11 0.00 0.00 175.55 176.59 3h2o s THR 13 N -0.43 3.09 -0.20 -0.71 2.01 -1.26 -1.41 115.64 116.73 3h2o s THR 13 Ca 0.18 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 3h2o s THR 13 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 3h2o s THR 13 CO 0.06 0.53 0.09 -0.76 -0.69 0.00 0.00 174.62 173.86 3h2o s LEU 14 N 0.23 3.90 -0.22 4.42 1.43 -0.60 -4.95 118.68 122.89 3h2o s LEU 14 Ca -0.08 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3h2o s LEU 14 Cb -0.15 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3h2o s LEU 14 CO 0.05 0.14 0.06 0.21 0.23 0.00 0.00 176.35 177.04 3h2o s ASN 15 N 0.59 5.27 0.06 2.29 3.84 -1.26 -0.02 114.94 125.71 3h2o s ASN 15 Ca 0.05 -0.11 0.25 0.00 0.21 0.00 0.00 52.86 53.27 3h2o s ASN 15 Cb -0.13 -1.93 0.60 0.00 -0.55 0.00 0.00 41.25 39.25 3h2o s ASN 15 CO 0.01 0.05 1.50 0.18 -2.79 0.00 0.00 177.10 176.05 3h2o n LEU 16 N 4.35 0.52 -0.09 3.21 4.77 -1.26 -4.00 117.00 124.50 3h2o n LEU 16 Ca -0.16 0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 3h2o n LEU 16 Cb 0.52 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 3h2o n LEU 16 CO 0.32 0.01 -1.16 0.59 -1.33 0.00 0.00 177.39 175.83 3h2o n ASN 17 N -1.80 1.59 0.04 -1.43 3.02 -1.26 -4.60 115.26 110.82 3h2o n ASN 17 Ca 0.05 -0.01 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 3h2o n ASN 17 Cb 0.38 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.25 3h2o n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h2o h GLU 18 N 0.01 -0.03 -3.45 3.52 4.11 -1.91 -3.46 114.58 113.38 3h2o h GLU 18 Ca -0.53 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.82 3h2o h GLU 18 Cb 2.00 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 31.09 3h2o h GLU 18 CO -0.02 0.04 -0.28 -1.59 0.07 0.00 0.00 179.01 177.23 3h2o s LYS 19 N -5.94 0.82 0.20 1.06 -2.85 -1.26 -4.91 119.74 106.86 3h2o s LYS 19 Ca -0.13 -0.63 -0.33 0.00 -1.00 0.00 0.00 55.97 53.88 3h2o s LYS 19 Cb 0.05 0.35 -0.13 0.00 -2.06 0.00 0.00 37.83 36.05 3h2o s LYS 19 CO 0.66 -0.27 1.68 2.41 0.10 0.00 0.00 175.35 179.94 3h2o n THR 20 N 0.39 0.01 -3.46 3.79 -1.04 -1.26 -4.84 114.28 107.87 3h2o n THR 20 Ca -0.18 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.47 3h2o n THR 20 Cb 0.60 -1.86 -0.06 0.00 -1.82 0.00 0.00 70.33 67.19 3h2o n THR 20 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3h2o s LEU 21 N 1.09 4.39 -0.08 -4.42 1.43 0.10 -4.96 118.68 116.23 3h2o s LEU 21 Ca 0.76 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 3h2o s LEU 21 Cb -0.55 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3h2o s LEU 21 CO 0.34 0.19 -0.10 -0.63 0.23 0.00 0.00 176.35 176.38 3h2o s ILE 22 N -1.33 3.42 -0.57 -0.59 -1.09 -1.26 -2.92 121.20 116.85 3h2o s ILE 22 Ca 0.32 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 3h2o s ILE 22 Cb -0.15 -2.39 0.14 0.00 -1.58 0.00 0.00 42.46 38.48 3h2o s ILE 22 CO 0.18 0.58 0.33 -0.32 -1.23 0.00 0.00 174.94 174.47 3h2o s MET 23 N -0.55 2.09 0.03 2.79 1.75 -0.75 -0.89 119.30 123.77 3h2o s MET 23 Ca 0.08 -2.81 -0.30 0.00 -1.25 0.00 0.00 55.69 51.41 3h2o s MET 23 Cb -0.12 -3.30 -0.07 0.00 2.84 0.00 0.00 34.83 34.18 3h2o s MET 23 CO 0.02 -1.16 1.63 0.20 -0.65 0.00 0.00 175.02 175.05 3h2o s GLY 24 N -0.60 1.59 0.08 2.11 0.00 -0.16 -1.78 107.32 108.56 3h2o s GLY 24 Ca 0.19 1.11 -0.31 0.00 0.00 0.00 0.00 44.72 45.71 3h2o s GLY 24 CO -0.05 2.89 1.37 -0.42 0.00 0.00 0.00 173.10 176.89 3h2o s ILE 25 N 2.97 3.48 0.23 0.90 1.01 -0.19 -0.73 121.20 128.87 3h2o s ILE 25 Ca 0.73 1.03 -0.28 0.00 0.00 0.00 0.00 60.65 62.13 3h2o s ILE 25 Cb -0.37 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3h2o s ILE 25 CO 0.31 0.06 0.89 -0.22 0.00 0.00 0.00 174.94 175.99 3h2o s LEU 26 N 1.39 4.58 -0.47 2.97 2.96 0.27 -4.87 118.68 125.51 3h2o s LEU 26 Ca 0.64 1.84 -0.28 0.00 -0.22 0.00 0.00 54.13 56.10 3h2o s LEU 26 Cb -0.35 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.78 3h2o s LEU 26 CO 0.29 0.14 1.11 0.21 -1.32 0.00 0.00 176.35 176.78 3h2o s ASN 27 N -1.25 6.62 -0.07 3.68 2.47 -1.26 -4.72 114.94 120.41 3h2o s ASN 27 Ca 0.41 0.43 0.11 0.00 0.42 0.00 0.00 52.86 54.23 3h2o s ASN 27 Cb -0.24 -2.54 0.16 0.00 -1.45 0.00 0.00 41.25 37.19 3h2o s ASN 27 CO 0.29 -1.22 1.05 0.55 -3.72 0.00 0.00 177.10 174.06 3h2o n VAL 28 N 6.76 1.30 -0.16 -5.21 3.14 -1.26 -4.70 118.33 118.19 3h2o n VAL 28 Ca 0.11 -1.51 -0.21 0.00 -2.96 0.00 0.00 64.34 59.77 3h2o n VAL 28 Cb 0.49 0.11 0.21 0.00 -1.06 0.00 0.00 33.84 33.59 3h2o n VAL 28 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3h2o n THR 29 N -0.93 0.00 0.00 1.55 5.66 -1.26 -5.09 114.28 114.21 3h2o n THR 29 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 3h2o n THR 29 Cb 0.55 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.64 3h2o n THR 29 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3h2o n PRO 30 N -4.56 0.00 0.07 1.09 -0.02 -1.26 -5.03 135.00 125.29 3h2o n PRO 30 Ca 0.10 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 3h2o n PRO 30 Cb 0.42 -1.39 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 3h2o n PRO 30 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3h2o n ASP 35 N -1.85 0.70 0.00 2.55 5.75 -1.26 -5.31 116.55 117.13 3h2o n ASP 35 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 3h2o n ASP 35 Cb 0.00 0.68 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3h2o n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h2o n GLY 36 N 1.23 3.08 4.21 6.12 0.00 -1.26 -4.20 105.19 114.36 3h2o n GLY 36 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3h2o n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2o n GLY 37 N -0.94 1.42 3.53 -0.02 0.00 -1.26 -4.97 105.19 102.96 3h2o n GLY 37 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 3h2o n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h2o n SER 38 N 1.16 0.61 -0.35 1.61 3.41 -1.26 -4.72 113.62 114.08 3h2o n SER 38 Ca 0.00 1.14 0.33 0.00 -0.26 0.00 0.00 58.87 60.09 3h2o n SER 38 Cb 0.00 -1.06 0.60 0.00 -0.26 0.00 0.00 64.21 63.49 3h2o n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2o n TYR 39 N 1.64 0.99 0.16 7.33 9.36 -1.26 -2.35 117.16 133.04 3h2o n TYR 39 Ca 0.18 1.00 -0.14 0.00 3.32 0.00 0.00 57.90 62.27 3h2o n TYR 39 Cb 0.16 -1.42 -0.08 0.00 -0.63 0.00 0.00 39.34 37.38 3h2o n TYR 39 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3h2o h ASN 40 N 0.00 -0.35 -0.27 2.98 2.35 -1.99 0.95 115.58 119.25 3h2o h ASN 40 Ca 0.83 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 56.38 3h2o h ASN 40 Cb 2.35 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 40.80 3h2o h ASN 40 CO -0.66 -0.03 -0.01 1.05 -1.65 0.00 0.00 177.43 176.14 3h2o h GLU 41 N -0.69 0.48 0.30 0.81 4.11 -1.82 -2.32 114.58 115.45 3h2o h GLU 41 Ca -0.04 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.22 3h2o h GLU 41 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3h2o h GLU 41 CO 0.07 0.65 -0.14 0.28 0.07 0.00 0.00 179.01 179.93 3h2o h VAL 42 N 0.26 0.73 -0.87 -1.06 2.07 -1.36 -1.50 116.25 114.51 3h2o h VAL 42 Ca 0.08 -0.35 0.22 0.00 0.82 0.00 0.00 66.70 67.47 3h2o h VAL 42 Cb 0.44 0.92 -0.15 0.00 -1.52 0.00 0.00 31.29 30.98 3h2o h VAL 42 CO 0.02 0.07 0.06 -0.78 0.02 0.00 0.00 177.57 176.96 3h2o h ASP 43 N -0.59 -0.33 -0.21 0.57 3.58 -0.87 -1.41 116.42 117.16 3h2o h ASP 43 Ca -0.04 0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.66 3h2o h ASP 43 Cb 0.43 0.39 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 3h2o h ASP 43 CO 0.07 -0.24 0.07 0.00 -2.88 0.00 0.00 179.24 176.25 3h2o h ALA 44 N 1.83 0.23 -0.22 -0.78 0.00 -0.71 -1.89 119.26 117.72 3h2o h ALA 44 Ca 0.51 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.47 3h2o h ALA 44 Cb 1.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3h2o h ALA 44 CO -0.77 -0.36 0.08 0.00 0.00 0.00 0.00 179.25 178.21 3h2o h ALA 45 N 1.13 0.25 -0.26 0.00 0.00 -0.55 -2.27 119.26 117.56 3h2o h ALA 45 Ca 0.09 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3h2o h ALA 45 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h2o h ALA 45 CO -0.09 -0.34 0.18 0.28 0.00 0.00 0.00 179.25 179.28 3h2o h VAL 46 N 0.18 0.90 -0.08 0.00 2.07 -0.75 0.90 116.25 119.48 3h2o h VAL 46 Ca 0.10 -0.02 -0.21 0.00 0.82 0.00 0.00 66.70 67.38 3h2o h VAL 46 Cb 0.06 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3h2o h VAL 46 CO -0.10 0.01 -0.82 0.03 0.02 0.00 0.00 177.57 176.72 3h2o h ARG 47 N 0.06 0.55 -0.24 1.57 2.47 -1.07 -1.54 114.38 116.19 3h2o h ARG 47 Ca 0.12 -0.49 -0.13 0.00 -1.26 0.00 0.00 59.98 58.22 3h2o h ARG 47 Cb 0.41 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3h2o h ARG 47 CO -0.01 1.12 -0.37 1.25 0.56 0.00 0.00 179.97 182.52 3h2o h HIS 48 N 0.36 0.84 0.41 3.04 2.76 -0.34 -2.22 115.15 120.00 3h2o h HIS 48 Ca -0.06 -0.29 -0.02 0.00 -2.20 0.00 0.00 60.37 57.81 3h2o h HIS 48 Cb 1.43 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.23 3h2o h HIS 48 CO 0.07 1.05 -0.20 0.00 -1.30 0.00 0.00 177.93 177.55 3h2o h ALA 49 N 0.65 -0.55 -0.77 5.26 0.00 -0.97 0.48 119.26 123.36 3h2o h ALA 49 Ca 0.02 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.93 3h2o h ALA 49 Cb 0.96 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 3h2o h ALA 49 CO 0.09 -0.69 0.17 1.57 0.00 0.00 0.00 179.25 180.38 3h2o h LYS 50 N -0.78 0.23 -0.07 0.00 2.10 -1.34 0.72 116.57 117.43 3h2o h LYS 50 Ca -0.06 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3h2o h LYS 50 Cb 0.53 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.81 3h2o h LYS 50 CO 0.09 0.15 0.04 1.49 -2.00 0.00 0.00 179.45 179.23 3h2o h GLU 51 N 0.24 0.10 -0.90 0.07 4.81 -0.80 0.32 114.58 118.42 3h2o h GLU 51 Ca 0.44 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.67 3h2o h GLU 51 Cb 0.78 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 3h2o h GLU 51 CO -0.56 0.10 0.58 0.52 -0.73 0.00 0.00 179.01 178.92 3h2o h MET 52 N 0.07 1.19 -0.11 1.92 2.86 0.15 0.63 114.93 121.63 3h2o h MET 52 Ca 0.03 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3h2o h MET 52 Cb 0.03 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3h2o h MET 52 CO -0.01 0.80 0.08 -0.09 1.06 0.00 0.00 176.91 178.75 3h2o h ARG 53 N 1.22 0.15 -0.11 1.72 2.43 0.96 0.47 114.38 121.22 3h2o h ARG 53 Ca 0.33 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3h2o h ARG 53 Cb -0.12 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3h2o h ARG 53 CO -0.07 0.10 0.11 -0.44 -1.51 0.00 0.00 179.97 178.16 3h2o h ASP 54 N 0.15 0.00 1.29 -3.80 3.32 0.10 -2.84 116.42 114.64 3h2o h ASP 54 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3h2o h ASP 54 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3h2o h ASP 54 CO -0.01 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.89 3h2o n GLU 55 N -3.98 0.20 0.00 3.56 -0.58 0.17 -4.91 120.64 115.10 3h2o n GLU 55 Ca -0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 3h2o n GLU 55 Cb 0.22 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 3h2o n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h2o n GLY 56 N 1.20 1.63 3.64 0.62 0.00 -1.05 -4.40 105.19 106.82 3h2o n GLY 56 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3h2o n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o s ALA 57 N -2.00 3.25 -0.90 4.61 0.00 -1.15 -4.74 121.76 120.83 3h2o s ALA 57 Ca 0.00 -0.80 0.21 0.00 0.00 0.00 0.00 51.96 51.37 3h2o s ALA 57 Cb 0.00 -1.56 -0.19 0.00 0.00 0.00 0.00 23.12 21.37 3h2o s ALA 57 CO 0.00 0.46 0.89 0.72 0.00 0.00 0.00 175.76 177.83 3h2o n HIS 58 N 2.62 0.01 -3.83 0.00 8.25 -0.07 -4.63 115.22 117.58 3h2o n HIS 58 Ca -0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.16 3h2o n HIS 58 Cb 0.53 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.46 3h2o n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2o s ILE 59 N -3.05 0.04 -0.22 1.59 1.01 -0.33 -4.14 121.20 116.10 3h2o s ILE 59 Ca 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 3h2o s ILE 59 Cb 0.16 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 3h2o s ILE 59 CO 0.86 -0.19 -0.00 -0.63 0.00 0.00 0.00 174.94 174.98 3h2o s ILE 60 N -0.67 3.75 -0.01 2.92 -1.09 -0.86 -0.99 121.20 124.24 3h2o s ILE 60 Ca -0.08 -0.37 -0.21 0.00 -2.23 0.00 0.00 60.65 57.77 3h2o s ILE 60 Cb -0.04 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 3h2o s ILE 60 CO 0.01 0.40 0.60 -0.62 -1.23 0.00 0.00 174.94 174.11 3h2o s ASP 61 N 1.38 6.97 -0.20 3.58 -1.08 0.09 -0.59 116.67 126.82 3h2o s ASP 61 Ca 0.05 1.16 0.01 0.00 -0.52 0.00 0.00 52.55 53.24 3h2o s ASP 61 Cb -0.15 -2.37 0.05 0.00 -1.46 0.00 0.00 42.92 38.99 3h2o s ASP 61 CO -0.00 0.08 -0.09 -0.63 0.52 0.00 0.00 175.17 175.05 3h2o s ILE 62 N -0.09 1.53 0.23 4.11 1.01 -0.41 -0.57 121.20 127.01 3h2o s ILE 62 Ca 0.32 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 3h2o s ILE 62 Cb -0.18 -1.65 -0.08 0.00 0.01 0.00 0.00 42.46 40.56 3h2o s ILE 62 CO 0.17 0.12 0.61 -0.83 0.00 0.00 0.00 174.94 175.01 3h2o s GLY 63 N 1.44 2.38 0.00 6.18 0.00 -1.26 -1.15 107.32 114.90 3h2o s GLY 63 Ca -0.02 -0.11 0.27 0.00 0.00 0.00 0.00 44.72 44.86 3h2o s GLY 63 CO -0.08 0.10 1.62 0.61 0.00 0.00 0.00 173.10 175.35 3h2o n GLY 64 N 0.15 -0.65 1.97 0.20 0.00 -1.25 -4.96 105.19 100.64 3h2o n GLY 64 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3h2o n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h2o n GLU 65 N -0.69 0.00 0.00 1.61 4.71 -1.26 -5.08 120.64 119.93 3h2o n GLU 65 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3h2o n GLU 65 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.77 3h2o n GLU 65 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3h2o n VAL 74 N 0.00 0.00 -0.96 2.62 3.14 -1.26 -5.19 118.33 116.68 3h2o n VAL 74 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 3h2o n VAL 74 Cb 0.00 0.00 0.08 0.00 -1.06 0.00 0.00 33.84 32.86 3h2o n VAL 74 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3h2o n SER 75 N 0.02 -3.15 0.16 6.55 2.88 -1.26 -4.89 113.62 113.93 3h2o n SER 75 Ca 0.00 0.35 -0.14 0.00 -1.33 0.00 0.00 58.87 57.75 3h2o n SER 75 Cb 0.00 -1.06 -0.08 0.00 -0.75 0.00 0.00 64.21 62.32 3h2o n SER 75 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3h2o h VAL 76 N -1.10 0.74 -0.24 2.46 2.07 -2.04 -3.03 116.25 115.11 3h2o h VAL 76 Ca -0.44 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 66.70 3h2o h VAL 76 Cb 1.31 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 3h2o h VAL 76 CO 0.33 0.09 -0.19 -0.33 0.02 0.00 0.00 177.57 177.49 3h2o h GLU 77 N -0.63 -0.18 -0.26 1.57 3.07 -1.99 -0.36 114.58 115.80 3h2o h GLU 77 Ca -0.04 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3h2o h GLU 77 Cb 0.45 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3h2o h GLU 77 CO 0.07 -0.12 0.17 0.93 -1.40 0.00 0.00 179.01 178.66 3h2o h GLU 78 N -0.18 0.30 -0.04 2.33 3.07 -1.94 -0.26 114.58 117.85 3h2o h GLU 78 Ca 0.13 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 3h2o h GLU 78 Cb 0.39 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3h2o h GLU 78 CO -0.35 0.20 -0.23 1.05 -1.40 0.00 0.00 179.01 178.28 3h2o h GLU 79 N 0.31 0.23 -0.92 2.33 4.11 -1.19 0.80 114.58 120.25 3h2o h GLU 79 Ca 0.10 -0.19 0.09 0.00 0.07 0.00 0.00 59.36 59.43 3h2o h GLU 79 Cb 0.02 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 3h2o h GLU 79 CO -0.02 0.85 0.59 0.82 0.07 0.00 0.00 179.01 181.33 3h2o h ILE 80 N -0.33 0.98 0.03 -1.06 2.04 -0.69 -0.30 117.51 118.18 3h2o h ILE 80 Ca -0.02 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3h2o h ILE 80 Cb 0.90 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3h2o h ILE 80 CO 0.05 0.17 -0.01 0.50 0.00 0.00 0.00 178.15 178.86 3h2o h LYS 81 N 0.95 -0.04 -0.70 2.37 3.64 -0.88 -2.22 116.57 119.69 3h2o h LYS 81 Ca 0.42 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 3h2o h LYS 81 Cb 0.37 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3h2o h LYS 81 CO -0.18 0.12 0.35 0.00 -2.27 0.00 0.00 179.45 177.47 3h2o h ARG 82 N -0.19 0.99 0.00 1.90 3.08 -0.19 -3.38 114.38 116.59 3h2o h ARG 82 Ca -0.00 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 3h2o h ARG 82 Cb 0.17 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3h2o h ARG 82 CO 0.01 0.77 -1.85 1.55 -1.07 0.00 0.00 179.97 179.37 3h2o n VAL 83 N -4.46 0.49 -0.20 2.04 3.14 -0.18 -4.41 118.33 114.75 3h2o n VAL 83 Ca 0.06 -0.48 -0.08 0.00 -2.96 0.00 0.00 64.34 60.87 3h2o n VAL 83 Cb 0.11 -0.23 0.02 0.00 -1.06 0.00 0.00 33.84 32.68 3h2o n VAL 83 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3h2o h VAL 84 N 0.00 1.24 -0.56 1.55 2.07 -1.57 -2.69 116.25 116.29 3h2o h VAL 84 Ca -0.19 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 3h2o h VAL 84 Cb 1.30 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3h2o h VAL 84 CO 0.01 0.30 0.03 -0.65 0.02 0.00 0.00 177.57 177.28 3h2o h PRO 85 N 0.77 0.96 -0.84 1.57 0.11 -1.77 -2.33 132.00 130.48 3h2o h PRO 85 Ca 0.18 -0.29 0.08 0.00 0.11 0.00 0.00 66.00 66.07 3h2o h PRO 85 Cb 0.29 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.20 3h2o h PRO 85 CO -0.01 0.95 -0.49 -1.33 -0.21 0.00 0.00 178.00 176.91 3h2o n MET 86 N -4.28 -0.37 0.27 1.05 2.81 -1.21 -2.33 117.12 113.05 3h2o n MET 86 Ca 0.02 1.33 -0.16 0.00 -1.81 0.00 0.00 57.70 57.08 3h2o n MET 86 Cb 0.31 -1.96 -0.08 0.00 -0.71 0.00 0.00 33.22 30.78 3h2o n MET 86 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3h2o h ILE 87 N 0.00 0.25 0.00 2.02 2.04 -1.12 -2.24 117.51 118.46 3h2o h ILE 87 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3h2o h ILE 87 Cb 0.34 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3h2o h ILE 87 CO -0.79 0.00 0.06 0.00 0.00 0.00 0.00 178.15 177.42 3h2o n GLN 88 N -5.48 0.00 -0.13 2.37 6.02 -0.91 -0.52 117.38 118.73 3h2o n GLN 88 Ca -0.11 0.23 -0.24 0.00 -0.01 0.00 0.00 57.00 56.87 3h2o n GLN 88 Cb 0.38 -1.56 -0.10 0.00 1.02 0.00 0.00 30.24 29.98 3h2o n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h2o n ALA 89 N -1.18 1.40 0.14 -1.58 0.00 -0.88 -3.36 120.51 115.04 3h2o n ALA 89 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 53.44 52.36 3h2o n ALA 89 Cb 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 3h2o n ALA 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h2o h VAL 90 N -0.59 0.00 -0.08 0.00 2.07 -0.46 0.60 116.25 117.78 3h2o h VAL 90 Ca -0.61 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3h2o h VAL 90 Cb 1.66 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3h2o h VAL 90 CO -0.28 0.00 -0.05 -0.24 0.02 0.00 0.00 177.57 177.02 3h2o n SER 91 N -3.80 -0.09 0.04 0.57 2.88 0.32 0.16 113.62 113.70 3h2o n SER 91 Ca -0.05 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.60 3h2o n SER 91 Cb 0.15 -0.02 0.16 0.00 -0.75 0.00 0.00 64.21 63.74 3h2o n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3h2o h LYS 92 N 0.00 0.41 0.00 -1.46 1.63 -1.46 -3.35 116.57 112.34 3h2o h LYS 92 Ca 0.01 -0.21 -0.29 0.00 -0.85 0.00 0.00 60.65 59.32 3h2o h LYS 92 Cb 0.03 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.61 3h2o h LYS 92 CO -0.08 0.76 -2.16 0.39 -3.45 0.00 0.00 179.45 174.92 3h2o n GLU 93 N -4.02 1.13 -4.53 1.90 1.02 0.21 -4.98 120.64 111.37 3h2o n GLU 93 Ca -0.02 -0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.77 3h2o n GLU 93 Cb 0.50 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 3h2o n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h2o s VAL 94 N -2.49 3.74 -1.15 2.62 1.01 0.42 -5.03 120.40 119.52 3h2o s VAL 94 Ca -0.08 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3h2o s VAL 94 Cb 0.06 -2.59 0.21 0.00 0.00 0.00 0.00 36.38 34.06 3h2o s VAL 94 CO 0.71 0.54 1.28 -0.54 0.00 0.00 0.00 175.10 177.09 3h2o s LYS 95 N -0.09 4.10 0.19 2.72 -0.14 -1.26 -4.53 119.74 120.73 3h2o s LYS 95 Ca 0.01 -2.79 -0.14 0.00 -1.36 0.00 0.00 55.97 51.68 3h2o s LYS 95 Cb -0.13 -4.84 0.01 0.00 -1.68 0.00 0.00 37.83 31.19 3h2o s LYS 95 CO 0.03 -1.55 0.44 -0.51 -0.76 0.00 0.00 175.35 173.00 3h2o s LEU 96 N 0.47 0.38 0.45 3.17 1.43 -1.26 -5.14 118.68 118.19 3h2o s LEU 96 Ca 0.37 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 3h2o s LEU 96 Cb -0.06 1.81 -0.09 0.00 0.03 0.00 0.00 46.19 47.89 3h2o s LEU 96 CO -0.04 -1.00 0.90 -2.16 0.23 0.00 0.00 176.35 174.28 3h2o s PRO 97 N -3.91 4.00 -0.13 1.29 0.04 -1.26 -4.87 135.00 130.15 3h2o s PRO 97 Ca 0.12 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 3h2o s PRO 97 Cb 0.00 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3h2o s PRO 97 CO -0.01 -0.11 -0.13 0.42 0.04 0.00 0.00 177.00 177.21 3h2o s ILE 98 N -2.38 3.08 -0.17 0.56 1.09 -1.26 -2.04 121.20 120.09 3h2o s ILE 98 Ca 0.58 -0.65 -0.05 0.00 -1.10 0.00 0.00 60.65 59.42 3h2o s ILE 98 Cb -0.10 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.97 3h2o s ILE 98 CO 0.25 0.52 0.00 -0.94 -0.10 0.00 0.00 174.94 174.67 3h2o s SER 99 N 0.38 5.11 -0.00 3.58 1.04 0.24 0.49 113.70 124.52 3h2o s SER 99 Ca -0.10 -0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.02 3h2o s SER 99 Cb -0.16 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 3h2o s SER 99 CO 0.05 0.16 0.79 -0.51 0.98 0.00 0.00 173.24 174.71 3h2o s ILE 100 N 0.41 4.87 -1.09 -1.02 1.10 -0.92 -1.28 121.20 123.27 3h2o s ILE 100 Ca -0.01 1.65 -0.06 0.00 -0.51 0.00 0.00 60.65 61.72 3h2o s ILE 100 Cb -0.14 -4.13 0.30 0.00 0.15 0.00 0.00 42.46 38.64 3h2o s ILE 100 CO 0.02 0.28 1.40 -0.67 -2.11 0.00 0.00 174.94 173.86 3h2o n ASP 101 N 3.39 6.17 -4.66 4.50 4.64 -0.30 -0.58 116.55 129.70 3h2o n ASP 101 Ca -0.00 -3.31 -0.27 0.00 -1.38 0.00 0.00 54.79 49.83 3h2o n ASP 101 Cb 0.51 -1.30 -0.10 0.00 -1.04 0.00 0.00 41.12 39.19 3h2o n ASP 101 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3h2o s THR 102 N -2.33 2.04 -0.05 5.18 -1.32 -1.10 -3.86 115.64 114.21 3h2o s THR 102 Ca 0.31 -1.91 0.08 0.00 -1.21 0.00 0.00 61.69 58.96 3h2o s THR 102 Cb 0.01 -2.95 0.13 0.00 -1.51 0.00 0.00 72.50 68.18 3h2o s THR 102 CO 0.06 0.00 1.06 0.00 -2.21 0.00 0.00 174.62 173.53 3h2o n TYR 103 N -1.07 0.00 -3.71 9.09 0.18 -1.26 -3.72 117.16 116.66 3h2o n TYR 103 Ca -0.05 -0.40 -0.16 0.00 1.88 0.00 0.00 57.90 59.17 3h2o n TYR 103 Cb 0.66 -0.09 -0.16 0.00 -0.38 0.00 0.00 39.34 39.37 3h2o n TYR 103 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 3h2o s LYS 104 N -1.07 0.02 0.11 -3.48 -2.85 -1.26 -3.83 119.74 107.38 3h2o s LYS 104 Ca 0.13 0.40 -0.21 0.00 -1.00 0.00 0.00 55.97 55.30 3h2o s LYS 104 Cb 0.12 -0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.57 3h2o s LYS 104 CO 0.00 -0.24 1.16 0.00 0.10 0.00 0.00 175.35 176.38 3h2o n ALA 105 N 4.74 -0.43 -0.22 0.59 0.00 -1.26 -1.17 120.51 122.76 3h2o n ALA 105 Ca -0.16 0.57 0.02 0.00 0.00 0.00 0.00 53.44 53.87 3h2o n ALA 105 Cb 0.50 -0.03 0.14 0.00 0.00 0.00 0.00 19.45 20.06 3h2o n ALA 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3h2o h GLU 106 N 0.00 0.32 -0.55 0.00 3.07 -1.97 0.27 114.58 115.72 3h2o h GLU 106 Ca 0.11 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 3h2o h GLU 106 Cb 0.28 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 3h2o h GLU 106 CO -0.63 0.21 0.04 0.28 -1.40 0.00 0.00 179.01 177.51 3h2o h VAL 107 N 0.33 1.25 -0.74 3.13 2.07 -1.50 -2.64 116.25 118.14 3h2o h VAL 107 Ca 0.35 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 3h2o h VAL 107 Cb 0.52 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3h2o h VAL 107 CO -0.40 0.37 0.23 0.00 0.02 0.00 0.00 177.57 177.79 3h2o h ALA 108 N 1.17 1.00 0.19 1.67 0.00 -0.15 -2.72 119.26 120.42 3h2o h ALA 108 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3h2o h ALA 108 Cb 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3h2o h ALA 108 CO 0.02 0.67 -0.09 -0.22 0.00 0.00 0.00 179.25 179.62 3h2o h LYS 109 N 1.11 -0.24 0.00 0.00 3.64 -0.64 -3.08 116.57 117.36 3h2o h LYS 109 Ca 0.24 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3h2o h LYS 109 Cb 0.31 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3h2o h LYS 109 CO -0.01 0.15 -0.06 1.96 -2.27 0.00 0.00 179.45 179.22 3h2o h GLN 110 N -0.75 0.00 0.37 1.90 4.20 -1.59 -1.08 115.11 118.16 3h2o h GLN 110 Ca -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3h2o h GLN 110 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3h2o h GLN 110 CO 0.04 0.06 -0.18 0.00 -0.67 0.00 0.00 178.83 178.09 3h2o h ALA 111 N 1.94 -0.49 0.00 3.87 0.00 -1.45 0.52 119.26 123.64 3h2o h ALA 111 Ca -0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3h2o h ALA 111 Cb 0.64 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3h2o h ALA 111 CO 0.01 -0.77 -0.51 0.82 0.00 0.00 0.00 179.25 178.80 3h2o h ILE 112 N -0.50 1.17 -0.32 0.00 2.04 -1.38 0.26 117.51 118.78 3h2o h ILE 112 Ca -0.05 -1.88 -0.07 0.00 1.00 0.00 0.00 64.86 63.86 3h2o h ILE 112 Cb 0.38 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3h2o h ILE 112 CO 0.08 0.50 -0.11 -0.33 0.00 0.00 0.00 178.15 178.30 3h2o h GLU 113 N 0.00 0.54 -0.29 2.37 5.08 -1.05 -2.99 114.58 118.23 3h2o h GLU 113 Ca -0.01 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 3h2o h GLU 113 Cb 1.03 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3h2o h GLU 113 CO 0.07 0.65 -0.29 0.00 -1.00 0.00 0.00 179.01 178.44 3h2o h ALA 114 N 1.39 0.43 0.00 3.43 0.00 0.14 -3.46 119.26 121.19 3h2o h ALA 114 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3h2o h ALA 114 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h2o h ALA 114 CO 0.03 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3h2o n GLY 115 N 0.15 -0.09 3.85 0.00 0.00 0.53 -4.51 105.19 105.12 3h2o n GLY 115 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3h2o n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o s ALA 116 N 0.00 2.42 0.00 4.61 0.00 0.59 -4.71 121.76 124.67 3h2o s ALA 116 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3h2o s ALA 116 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3h2o s ALA 116 CO 0.00 -1.71 0.00 0.72 0.00 0.00 0.00 175.76 174.77 3h2o n HIS 117 N -3.38 0.00 -4.45 0.00 -0.00 0.18 -4.47 115.22 103.10 3h2o n HIS 117 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.54 3h2o n HIS 117 Cb 0.59 0.09 -0.17 0.00 -0.00 0.00 0.00 29.99 30.51 3h2o n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2o s ILE 118 N -1.79 1.18 -0.17 1.59 1.01 -1.06 -4.10 121.20 117.85 3h2o s ILE 118 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 3h2o s ILE 118 Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3h2o s ILE 118 CO 0.00 0.37 0.33 -0.63 0.00 0.00 0.00 174.94 175.01 3h2o s ILE 119 N 0.90 5.27 -0.48 2.92 1.01 -1.17 -2.16 121.20 127.50 3h2o s ILE 119 Ca -0.10 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.08 3h2o s ILE 119 Cb -0.15 -3.66 0.12 0.00 0.01 0.00 0.00 42.46 38.78 3h2o s ILE 119 CO 0.01 0.35 0.33 0.21 0.00 0.00 0.00 174.94 175.84 3h2o s ASN 120 N 0.65 5.62 -0.27 3.58 2.47 0.25 -0.68 114.94 126.56 3h2o s ASN 120 Ca 0.17 -2.01 -0.10 0.00 0.42 0.00 0.00 52.86 51.35 3h2o s ASN 120 Cb -0.14 -1.97 -0.04 0.00 -1.45 0.00 0.00 41.25 37.65 3h2o s ASN 120 CO 0.05 -0.65 0.15 -0.62 -3.72 0.00 0.00 177.10 172.32 3h2o s ASP 121 N 2.39 5.76 0.00 -4.21 3.68 -0.92 -2.69 116.67 120.67 3h2o s ASP 121 Ca 0.07 -0.06 0.10 0.00 2.13 0.00 0.00 52.55 54.80 3h2o s ASP 121 Cb -0.25 -2.06 0.33 0.00 -1.45 0.00 0.00 42.92 39.49 3h2o s ASP 121 CO -0.02 -0.03 1.26 2.30 0.13 0.00 0.00 175.17 178.81 3h2o n ILE 122 N 4.95 0.37 -0.55 4.11 -5.35 -1.26 -1.57 119.36 120.06 3h2o n ILE 122 Ca -0.15 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 3h2o n ILE 122 Cb 0.52 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 3h2o n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2o n TRP 123 N 0.34 0.00 -3.75 4.28 7.02 -1.26 -4.63 117.44 119.43 3h2o n TRP 123 Ca 0.11 -0.04 -0.24 0.00 -1.02 0.00 0.00 57.50 56.31 3h2o n TRP 123 Cb 0.25 -0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.17 3h2o n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2o n GLY 124 N -0.04 -0.35 3.48 6.99 0.00 -1.17 -0.62 105.19 113.48 3h2o n GLY 124 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h2o n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o n ALA 125 N -4.40 0.00 -0.10 4.61 0.00 -1.26 -4.52 120.51 114.84 3h2o n ALA 125 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 3h2o n ALA 125 Cb 0.64 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 3h2o n ALA 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h2o h LYS 126 N 1.70 0.92 0.00 0.00 1.57 -1.24 -3.22 116.57 116.30 3h2o h LYS 126 Ca 0.00 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3h2o h LYS 126 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3h2o h LYS 126 CO 0.00 1.18 0.00 0.00 -0.57 0.00 0.00 179.45 180.06 3h2o n ALA 127 N -2.56 -0.03 -3.51 3.86 0.00 -1.20 -4.17 120.51 112.90 3h2o n ALA 127 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 3h2o n ALA 127 Cb 0.59 0.35 -0.11 0.00 0.00 0.00 0.00 19.45 20.28 3h2o n ALA 127 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h2o s GLU 128 N -2.20 1.13 0.09 0.00 2.02 -1.25 -5.03 118.70 113.46 3h2o s GLU 128 Ca 0.00 -2.18 -0.03 0.00 0.02 0.00 0.00 54.97 52.78 3h2o s GLU 128 Cb 0.00 -1.79 0.13 0.00 0.10 0.00 0.00 34.13 32.57 3h2o s GLU 128 CO 0.00 -1.33 0.52 -2.30 0.02 0.00 0.00 175.26 172.17 3h2o n PRO 129 N 2.95 -0.04 -0.49 0.39 -0.02 -1.22 0.58 135.00 137.15 3h2o n PRO 129 Ca 0.24 0.52 0.40 0.00 -2.02 0.00 0.00 63.50 62.64 3h2o n PRO 129 Cb 0.43 -0.77 0.70 0.00 -0.02 0.00 0.00 33.50 33.84 3h2o n PRO 129 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3h2o h LYS 130 N 0.00 0.06 -0.70 -0.52 6.56 -1.96 -2.64 116.57 117.38 3h2o h LYS 130 Ca 0.15 -0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.85 3h2o h LYS 130 Cb 0.23 -0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 31.76 3h2o h LYS 130 CO -0.34 0.04 -0.25 1.51 -2.06 0.00 0.00 179.45 178.35 3h2o n ILE 131 N -4.46 -0.35 -0.18 1.86 3.06 0.20 0.11 119.36 119.59 3h2o n ILE 131 Ca 0.37 1.64 -0.09 0.00 -2.50 0.00 0.00 62.75 62.18 3h2o n ILE 131 Cb 1.54 -2.19 0.01 0.00 0.54 0.00 0.00 39.64 39.54 3h2o n ILE 131 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3h2o h ALA 132 N 1.06 0.69 -0.01 1.51 0.00 -1.71 -1.09 119.26 119.72 3h2o h ALA 132 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h2o h ALA 132 Cb 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h2o h ALA 132 CO -0.70 0.40 0.28 1.49 0.00 0.00 0.00 179.25 180.71 3h2o h GLU 133 N 0.73 0.00 0.09 0.00 4.81 0.68 0.43 114.58 121.32 3h2o h GLU 133 Ca 0.16 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.18 3h2o h GLU 133 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3h2o h GLU 133 CO 0.00 0.00 -1.04 0.28 -0.73 0.00 0.00 179.01 177.53 3h2o h VAL 134 N 0.00 1.24 -0.72 0.32 2.07 -0.28 -2.86 116.25 116.03 3h2o h VAL 134 Ca 0.00 -2.39 0.10 0.00 0.82 0.00 0.00 66.70 65.24 3h2o h VAL 134 Cb 0.56 2.86 -0.08 0.00 -1.52 0.00 0.00 31.29 33.12 3h2o h VAL 134 CO -0.00 0.64 0.34 0.00 0.02 0.00 0.00 177.57 178.57 3h2o h ALA 135 N -0.07 1.00 -0.11 1.67 0.00 -0.05 0.13 119.26 121.83 3h2o h ALA 135 Ca -0.23 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3h2o h ALA 135 Cb 1.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3h2o h ALA 135 CO 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.14 3h2o h ALA 136 N 1.45 0.04 -0.23 0.00 0.00 -0.45 0.52 119.26 120.58 3h2o h ALA 136 Ca 0.36 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 3h2o h ALA 136 Cb 0.42 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3h2o h ALA 136 CO -0.30 -0.52 -0.05 1.25 0.00 0.00 0.00 179.25 179.64 3h2o h HIS 137 N -0.05 0.37 -0.48 0.00 6.17 -1.09 -2.34 115.15 117.73 3h2o h HIS 137 Ca 0.06 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 3h2o h HIS 137 Cb 0.15 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 29.97 3h2o h HIS 137 CO -0.18 0.42 0.00 0.66 0.71 0.00 0.00 177.93 179.54 3h2o n TYR 138 N -4.30 0.68 -0.87 5.26 4.01 0.38 -4.96 117.16 117.36 3h2o n TYR 138 Ca 0.00 -0.52 -0.05 0.00 -0.16 0.00 0.00 57.90 57.18 3h2o n TYR 138 Cb 0.24 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 3h2o n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2o n ASP 139 N 0.87 -2.72 -4.84 7.72 2.03 0.18 -4.89 116.55 114.89 3h2o n ASP 139 Ca 0.17 0.12 -0.32 0.00 0.52 0.00 0.00 54.79 55.27 3h2o n ASP 139 Cb 0.52 -2.23 -0.04 0.00 -0.72 0.00 0.00 41.12 38.65 3h2o n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h2o s VAL 140 N -1.14 4.52 1.36 5.18 -7.23 -1.03 -5.00 120.40 117.05 3h2o s VAL 140 Ca 0.00 1.22 -0.21 0.00 -1.81 0.00 0.00 61.98 61.18 3h2o s VAL 140 Cb 0.00 -3.71 0.34 0.00 0.56 0.00 0.00 36.38 33.57 3h2o s VAL 140 CO 0.00 -0.67 0.97 -2.84 -0.31 0.00 0.00 175.10 172.25 3h2o s PRO 141 N -4.04 -2.46 -0.19 4.82 0.02 -1.26 -4.73 135.00 127.17 3h2o s PRO 141 Ca 0.59 0.14 -0.28 0.00 0.02 0.00 0.00 61.00 61.47 3h2o s PRO 141 Cb -0.10 -1.43 0.11 0.00 0.02 0.00 0.00 34.50 33.10 3h2o s PRO 141 CO 0.31 -4.57 0.92 -1.50 -0.33 0.00 0.00 177.00 171.83 3h2o s ILE 142 N -2.44 0.00 -0.26 2.83 2.07 -0.85 -3.04 121.20 119.51 3h2o s ILE 142 Ca 0.69 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.82 3h2o s ILE 142 Cb -0.13 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.41 3h2o s ILE 142 CO 0.58 0.00 0.18 -0.63 -1.91 0.00 0.00 174.94 173.16 3h2o s ILE 143 N -0.51 5.34 -0.29 2.00 1.01 0.15 -0.09 121.20 128.80 3h2o s ILE 143 Ca -0.02 0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 3h2o s ILE 143 Cb -0.02 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3h2o s ILE 143 CO 0.00 0.30 0.12 -0.76 0.00 0.00 0.00 174.94 174.61 3h2o s LEU 144 N 1.36 3.87 -0.06 2.97 1.43 0.14 -2.17 118.68 126.22 3h2o s LEU 144 Ca 0.07 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3h2o s LEU 144 Cb -0.15 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3h2o s LEU 144 CO 0.07 -0.13 0.05 -0.32 0.23 0.00 0.00 176.35 176.26 3h2o s MET 145 N 1.62 3.09 -0.04 1.70 1.75 -0.61 -0.99 119.30 125.82 3h2o s MET 145 Ca 0.05 -0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 53.81 3h2o s MET 145 Cb -0.16 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 3h2o s MET 145 CO 0.05 0.70 1.20 -1.58 -0.65 0.00 0.00 175.02 174.74 3h2o s HIS 146 N -1.02 3.22 0.09 4.11 2.46 0.34 -4.07 115.29 120.41 3h2o s HIS 146 Ca 0.17 1.23 -0.26 0.00 0.47 0.00 0.00 55.06 56.67 3h2o s HIS 146 Cb -0.12 -3.42 0.07 0.00 -0.13 0.00 0.00 32.58 28.99 3h2o s HIS 146 CO 0.07 -1.29 0.65 1.21 -2.47 0.00 0.00 174.74 172.90 3h2o s ASN 147 N 1.43 -0.58 0.00 9.88 2.47 -1.26 -4.23 114.94 122.65 3h2o s ASN 147 Ca 0.56 0.20 0.00 0.00 0.42 0.00 0.00 52.86 54.04 3h2o s ASN 147 Cb -0.25 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.11 3h2o s ASN 147 CO 0.23 -0.84 0.00 -2.11 -3.72 0.00 0.00 177.10 170.66 3h2o n ARG 148 N -0.01 0.00 -0.38 0.43 1.85 -1.26 -5.03 116.66 112.25 3h2o n ARG 148 Ca -0.17 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.74 3h2o n ARG 148 Cb 0.63 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.12 3h2o n ARG 148 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3h2o n ASP 149 N -0.30 1.31 -3.61 2.89 5.75 -1.26 -4.75 116.55 116.59 3h2o n ASP 149 Ca 0.00 -2.68 -0.10 0.00 -0.01 0.00 0.00 54.79 52.01 3h2o n ASP 149 Cb 0.00 -0.34 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 3h2o n ASP 149 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h2o s ASN 150 N -2.14 -0.43 -0.03 -1.12 2.20 -1.26 -5.04 114.94 107.12 3h2o s ASN 150 Ca 0.21 -0.27 0.11 0.00 -0.94 0.00 0.00 52.86 51.96 3h2o s ASN 150 Cb 0.19 0.65 0.31 0.00 -2.00 0.00 0.00 41.25 40.39 3h2o s ASN 150 CO -0.00 -1.12 1.25 0.23 -2.94 0.00 0.00 177.10 174.52 3h2o n MET 151 N -0.41 2.87 -2.65 3.55 2.81 -1.26 -4.84 117.12 117.20 3h2o n MET 151 Ca -0.12 -2.12 -0.42 0.00 -1.81 0.00 0.00 57.70 53.24 3h2o n MET 151 Cb 0.63 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.78 3h2o n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h2o s ASN 152 N -1.16 6.41 -0.12 7.83 0.02 -1.26 -4.97 114.94 121.70 3h2o s ASN 152 Ca 0.24 -1.28 -0.05 0.00 -1.02 0.00 0.00 52.86 50.75 3h2o s ASN 152 Cb 0.14 -2.52 -0.04 0.00 0.02 0.00 0.00 41.25 38.85 3h2o s ASN 152 CO 0.13 -1.50 0.08 -0.31 0.02 0.00 0.00 177.10 175.51 3h2o s TYR 153 N 4.68 3.38 -0.08 2.20 1.51 -1.26 -5.01 117.35 122.77 3h2o s TYR 153 Ca 0.39 0.34 -0.25 0.00 -1.01 0.00 0.00 57.07 56.54 3h2o s TYR 153 Cb -0.04 -1.90 -0.29 0.00 -0.11 0.00 0.00 41.96 39.61 3h2o s TYR 153 CO -0.02 0.55 0.84 -0.09 -1.11 0.00 0.00 175.55 175.72 3h2o h ARG 154 N 5.30 0.18 -3.40 -0.62 1.12 -2.01 -3.43 114.38 111.53 3h2o h ARG 154 Ca -0.51 -0.31 -0.41 0.00 -1.11 0.00 0.00 59.98 57.64 3h2o h ARG 154 Cb 1.21 0.12 -0.39 0.00 -0.01 0.00 0.00 29.97 30.89 3h2o h ARG 154 CO 0.58 1.15 -0.75 1.21 -3.11 0.00 0.00 179.97 179.05 3h2o s ASN 155 N -6.68 1.56 0.00 -3.80 2.47 -1.26 -5.08 114.94 102.15 3h2o s ASN 155 Ca -0.16 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 52.99 3h2o s ASN 155 Cb -0.01 -0.27 0.00 0.00 -1.45 0.00 0.00 41.25 39.52 3h2o s ASN 155 CO 0.78 -0.25 0.44 -0.11 -3.72 0.00 0.00 177.10 174.23 3h2o n LEU 156 N 5.24 0.00 0.05 3.21 7.94 -1.26 0.12 117.00 132.29 3h2o n LEU 156 Ca -0.05 0.44 -0.11 0.00 -1.11 0.00 0.00 56.01 55.18 3h2o n LEU 156 Cb 0.50 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.40 3h2o n LEU 156 CO 0.08 0.00 0.71 0.24 -1.11 0.00 0.00 177.39 177.32 3h2o h MET 157 N 0.00 -0.33 -1.16 1.96 2.86 -1.98 1.84 114.93 118.13 3h2o h MET 157 Ca 0.00 0.02 0.36 0.00 -2.06 0.00 0.00 59.70 58.02 3h2o h MET 157 Cb 0.00 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 31.61 3h2o h MET 157 CO 0.00 -0.22 0.72 0.00 1.06 0.00 0.00 176.91 178.47 3h2o h ALA 158 N 0.53 2.39 0.07 6.32 0.00 -1.98 0.29 119.26 126.88 3h2o h ALA 158 Ca 0.06 0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 3h2o h ALA 158 Cb 0.43 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3h2o h ALA 158 CO -0.21 -0.96 -1.12 -0.44 0.00 0.00 0.00 179.25 176.52 3h2o h ASP 159 N 0.23 0.67 0.04 0.00 5.19 1.04 -2.70 116.42 120.89 3h2o h ASP 159 Ca 0.74 -0.60 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3h2o h ASP 159 Cb 2.05 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 41.35 3h2o h ASP 159 CO -0.44 1.42 -0.02 0.24 -3.12 0.00 0.00 179.24 177.31 3h2o h MET 160 N 0.23 -0.06 -1.00 3.56 2.86 0.22 -2.19 114.93 118.56 3h2o h MET 160 Ca -0.13 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.69 3h2o h MET 160 Cb 1.78 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 33.35 3h2o h MET 160 CO 0.20 0.39 0.62 0.82 1.06 0.00 0.00 176.91 180.00 3h2o h ILE 161 N -0.53 0.75 -0.01 -1.22 2.04 -1.30 0.70 117.51 117.94 3h2o h ILE 161 Ca -0.01 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3h2o h ILE 161 Cb 0.48 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 3h2o h ILE 161 CO 0.01 0.15 -0.23 0.00 0.00 0.00 0.00 178.15 178.08 3h2o h ALA 162 N 1.62 -0.29 -0.11 1.87 0.00 -1.18 -2.30 119.26 118.87 3h2o h ALA 162 Ca 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.36 3h2o h ALA 162 Cb 0.81 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3h2o h ALA 162 CO -0.35 -0.72 -0.45 -0.44 0.00 0.00 0.00 179.25 177.29 3h2o h ASP 163 N -0.35 0.27 -0.41 0.00 5.19 0.81 0.37 116.42 122.29 3h2o h ASP 163 Ca 0.07 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 3h2o h ASP 163 Cb 0.44 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 3h2o h ASP 163 CO -0.22 0.69 0.14 -0.07 -3.12 0.00 0.00 179.24 176.66 3h2o h LEU 164 N 0.21 0.65 0.38 1.55 3.38 -0.28 -2.70 115.31 118.50 3h2o h LEU 164 Ca 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3h2o h LEU 164 Cb 0.88 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3h2o h LEU 164 CO 0.07 0.63 -0.47 1.88 0.09 0.00 0.00 178.44 180.64 3h2o h TYR 165 N 0.69 -1.30 -1.07 1.13 -1.99 0.32 -2.37 116.97 112.38 3h2o h TYR 165 Ca 0.16 0.02 0.29 0.00 2.00 0.00 0.00 58.73 61.19 3h2o h TYR 165 Cb 0.22 0.52 -0.10 0.00 2.00 0.00 0.00 36.73 39.37 3h2o h TYR 165 CO 0.01 -0.61 0.69 -0.44 -0.00 0.00 0.00 178.16 177.80 3h2o h ASP 166 N -0.88 0.43 0.17 3.88 3.32 -1.21 0.51 116.42 122.63 3h2o h ASP 166 Ca -0.04 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3h2o h ASP 166 Cb 0.80 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3h2o h ASP 166 CO -0.11 0.04 -0.08 0.28 -1.72 0.00 0.00 179.24 177.65 3h2o h SER 167 N 0.36 -0.20 -0.40 6.45 0.02 -1.28 -2.02 113.55 116.48 3h2o h SER 167 Ca 0.63 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.46 3h2o h SER 167 Cb 1.64 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 64.21 3h2o h SER 167 CO -0.33 0.01 0.27 0.40 -1.14 0.00 0.00 176.83 176.04 3h2o h ILE 168 N -0.40 1.09 -0.51 3.27 2.04 0.46 0.26 117.51 123.73 3h2o h ILE 168 Ca -0.02 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 3h2o h ILE 168 Cb 0.31 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3h2o h ILE 168 CO 0.04 0.10 -0.09 0.50 0.00 0.00 0.00 178.15 178.69 3h2o h LYS 169 N 0.53 0.94 0.33 2.37 1.63 -0.91 0.26 116.57 121.72 3h2o h LYS 169 Ca 0.15 -0.33 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 3h2o h LYS 169 Cb -0.04 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3h2o h LYS 169 CO -0.03 0.98 -0.16 0.82 -3.45 0.00 0.00 179.45 177.61 3h2o h ILE 170 N 0.84 0.58 -0.51 2.00 2.04 -0.14 -2.00 117.51 120.31 3h2o h ILE 170 Ca 0.14 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.36 3h2o h ILE 170 Cb 0.63 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3h2o h ILE 170 CO 0.04 0.11 -0.45 0.00 0.00 0.00 0.00 178.15 177.86 3h2o h ALA 171 N -0.46 -0.58 -0.58 1.87 0.00 -0.41 -2.30 119.26 116.80 3h2o h ALA 171 Ca -0.05 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3h2o h ALA 171 Cb 0.52 1.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3h2o h ALA 171 CO 0.07 -0.84 0.08 0.87 0.00 0.00 0.00 179.25 179.44 3h2o h LYS 172 N -0.19 0.94 0.00 0.00 1.57 -0.51 0.68 116.57 119.07 3h2o h LYS 172 Ca 0.08 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3h2o h LYS 172 Cb 0.41 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3h2o h LYS 172 CO -0.58 0.88 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.74 3h2o h ASP 173 N 0.89 0.00 0.78 0.86 3.45 -1.21 -0.50 116.42 120.69 3h2o h ASP 173 Ca 0.18 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.50 3h2o h ASP 173 Cb 0.41 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3h2o h ASP 173 CO 0.01 0.00 -1.31 0.00 -1.57 0.00 0.00 179.24 176.37 3h2o h ALA 174 N 2.00 0.63 0.00 3.45 0.00 -0.33 -3.48 119.26 121.52 3h2o h ALA 174 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3h2o h ALA 174 Cb 0.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3h2o h ALA 174 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 3h2o n GLY 175 N 1.35 1.46 3.60 0.00 0.00 -0.19 -4.73 105.19 106.68 3h2o n GLY 175 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3h2o n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2o s VAL 176 N -1.46 4.18 0.15 1.61 1.01 -1.19 -4.78 120.40 119.91 3h2o s VAL 176 Ca 0.00 1.22 -0.34 0.00 0.00 0.00 0.00 61.98 62.86 3h2o s VAL 176 Cb 0.00 -4.52 -0.15 0.00 0.00 0.00 0.00 36.38 31.71 3h2o s VAL 176 CO 0.00 -0.92 1.38 0.54 0.00 0.00 0.00 175.10 176.10 3h2o n ARG 177 N 7.79 1.56 -0.32 2.72 1.74 -1.26 -4.65 116.66 124.24 3h2o n ARG 177 Ca 0.13 0.56 0.03 0.00 -0.77 0.00 0.00 57.85 57.79 3h2o n ARG 177 Cb 0.49 -2.21 0.10 0.00 -1.02 0.00 0.00 32.46 29.81 3h2o n ARG 177 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3h2o h ASP 178 N 4.67 -0.96 -0.24 0.55 3.32 -1.98 1.08 116.42 122.86 3h2o h ASP 178 Ca -0.46 0.27 0.07 0.00 0.02 0.00 0.00 57.03 56.94 3h2o h ASP 178 Cb 1.31 0.59 -0.01 0.00 0.22 0.00 0.00 39.33 41.44 3h2o h ASP 178 CO 0.79 -0.30 0.99 -0.33 -1.72 0.00 0.00 179.24 178.68 3h2o h GLU 179 N -0.01 0.00 -0.58 3.56 3.07 -1.99 0.20 114.58 118.83 3h2o h GLU 179 Ca 0.40 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.96 3h2o h GLU 179 Cb 0.64 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.37 3h2o h GLU 179 CO -0.92 0.00 0.17 0.09 -1.40 0.00 0.00 179.01 176.95 3h2o n ASN 180 N -2.72 2.96 -4.29 1.42 5.03 0.37 -4.87 115.26 113.16 3h2o n ASN 180 Ca 0.05 -3.74 -0.32 0.00 0.87 0.00 0.00 54.58 51.44 3h2o n ASN 180 Cb 1.07 -0.71 -0.16 0.00 -1.02 0.00 0.00 39.78 38.96 3h2o n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h2o s ILE 181 N -3.31 2.31 0.13 2.41 1.01 0.70 -2.00 121.20 122.45 3h2o s ILE 181 Ca 0.49 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 60.26 3h2o s ILE 181 Cb 0.43 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3h2o s ILE 181 CO 0.03 0.56 -0.17 -0.63 0.00 0.00 0.00 174.94 174.73 3h2o s ILE 182 N 0.00 1.62 -0.08 2.92 1.01 0.87 -4.36 121.20 123.18 3h2o s ILE 182 Ca -0.08 -1.74 0.04 0.00 0.00 0.00 0.00 60.65 58.88 3h2o s ILE 182 Cb -0.15 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3h2o s ILE 182 CO 0.05 -0.28 -0.23 -0.76 0.00 0.00 0.00 174.94 173.73 3h2o s LEU 183 N -2.38 2.18 -0.05 2.97 1.43 0.17 0.27 118.68 123.28 3h2o s LEU 183 Ca 0.11 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3h2o s LEU 183 Cb -0.07 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.76 3h2o s LEU 183 CO 0.05 0.21 0.03 -0.62 0.23 0.00 0.00 176.35 176.25 3h2o s ASP 184 N 0.06 1.17 0.14 2.29 3.68 -0.16 -0.87 116.67 122.96 3h2o s ASP 184 Ca -0.10 0.01 -0.29 0.00 2.13 0.00 0.00 52.55 54.31 3h2o s ASP 184 Cb -0.15 -0.25 -0.05 0.00 -1.45 0.00 0.00 42.92 41.02 3h2o s ASP 184 CO 0.06 -0.21 1.58 1.55 0.13 0.00 0.00 175.17 178.28 3h2o h PRO 185 N 8.22 -0.44 -1.13 4.34 0.13 -1.84 0.97 132.00 142.25 3h2o h PRO 185 Ca -0.19 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3h2o h PRO 185 Cb 1.12 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3h2o h PRO 185 CO 0.24 -0.30 0.00 0.41 -0.23 0.00 0.00 178.00 178.12 3h2o n GLY 186 N -1.43 0.56 3.76 1.56 0.00 -1.26 -3.39 105.19 104.99 3h2o n GLY 186 Ca -0.03 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3h2o n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h2o s ILE 187 N -2.38 2.57 -0.32 -0.61 -1.09 -1.26 -2.67 121.20 115.44 3h2o s ILE 187 Ca 0.00 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 3h2o s ILE 187 Cb 0.00 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3h2o s ILE 187 CO 0.00 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 3h2o n GLY 188 N 1.55 0.61 3.08 6.18 0.00 -1.26 -4.97 105.19 110.38 3h2o n GLY 188 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 3h2o n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2o s PHE 189 N -2.11 2.04 0.00 1.61 0.40 -1.09 -4.71 117.98 114.13 3h2o s PHE 189 Ca 0.00 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 3h2o s PHE 189 Cb 0.00 -1.45 0.00 0.00 0.51 0.00 0.00 43.02 42.08 3h2o s PHE 189 CO 0.00 -0.47 0.00 0.00 0.70 0.00 0.00 175.22 175.45 3h2o n ALA 190 N 4.09 0.00 -2.60 5.36 0.00 -1.26 -4.89 120.51 121.20 3h2o n ALA 190 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.93 3h2o n ALA 190 Cb 0.51 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 3h2o n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2o s LYS 191 N -1.67 2.52 1.11 0.00 1.02 -1.26 -4.34 119.74 117.11 3h2o s LYS 191 Ca 0.00 -0.83 -0.13 0.00 0.02 0.00 0.00 55.97 55.03 3h2o s LYS 191 Cb 0.00 -2.25 0.22 0.00 -0.52 0.00 0.00 37.83 35.29 3h2o s LYS 191 CO 0.00 0.47 0.87 0.25 -0.92 0.00 0.00 175.35 176.02 3h2o n THR 192 N 2.71 0.00 0.98 2.17 -2.24 -1.26 -4.79 114.28 111.85 3h2o n THR 192 Ca -0.17 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.35 3h2o n THR 192 Cb 0.52 -0.92 0.41 0.00 -2.10 0.00 0.00 70.33 68.23 3h2o n THR 192 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3h2o n PRO 193 N -4.24 0.49 -0.09 -0.78 -0.02 -1.26 -1.61 135.00 127.49 3h2o n PRO 193 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 3h2o n PRO 193 Cb 0.55 -1.44 -0.05 0.00 -0.02 0.00 0.00 33.50 32.54 3h2o n PRO 193 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3h2o n GLU 194 N -0.94 0.49 -0.31 -0.52 -0.58 -1.26 -3.59 120.64 113.94 3h2o n GLU 194 Ca 0.10 0.20 0.09 0.00 -0.42 0.00 0.00 57.16 57.13 3h2o n GLU 194 Cb 0.05 -1.34 0.18 0.00 -0.57 0.00 0.00 31.44 29.76 3h2o n GLU 194 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3h2o n GLN 195 N -4.25 -0.07 -0.18 3.49 6.02 -1.11 -0.05 117.38 121.22 3h2o n GLN 195 Ca -0.27 1.33 0.01 0.00 -0.01 0.00 0.00 57.00 58.06 3h2o n GLN 195 Cb 0.61 -2.04 0.27 0.00 1.02 0.00 0.00 30.24 30.11 3h2o n GLN 195 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3h2o h ASN 196 N 0.00 0.79 0.59 1.08 2.35 -1.44 -1.87 115.58 117.08 3h2o h ASN 196 Ca 0.47 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.17 3h2o h ASN 196 Cb 0.85 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 39.02 3h2o h ASN 196 CO -0.85 0.58 -0.28 -0.07 -1.65 0.00 0.00 177.43 175.15 3h2o h LEU 197 N 0.94 -0.67 -1.71 1.61 3.38 -0.52 -2.20 115.31 116.14 3h2o h LEU 197 Ca 0.25 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3h2o h LEU 197 Cb -0.10 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3h2o h LEU 197 CO -0.05 -0.32 0.39 1.05 0.09 0.00 0.00 178.44 179.59 3h2o h GLU 198 N -1.05 0.31 -0.61 1.13 4.11 -1.25 0.26 114.58 117.49 3h2o h GLU 198 Ca -0.08 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.28 3h2o h GLU 198 Cb 0.66 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3h2o h GLU 198 CO 0.13 0.21 0.18 0.00 0.07 0.00 0.00 179.01 179.60 3h2o h ALA 199 N 1.71 1.17 -0.47 1.06 0.00 -1.24 0.55 119.26 122.05 3h2o h ALA 199 Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3h2o h ALA 199 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3h2o h ALA 199 CO -0.06 0.58 -0.04 0.52 0.00 0.00 0.00 179.25 180.24 3h2o h MET 200 N 0.90 0.80 -0.12 0.00 2.86 0.08 0.33 114.93 119.78 3h2o h MET 200 Ca 0.20 -0.23 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 3h2o h MET 200 Cb 0.27 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3h2o h MET 200 CO -0.01 0.83 -0.58 -0.09 1.06 0.00 0.00 176.91 178.12 3h2o h ARG 201 N 0.73 0.38 -0.35 1.72 2.43 0.93 -2.98 114.38 117.24 3h2o h ARG 201 Ca 0.14 -0.25 -0.21 0.00 -0.81 0.00 0.00 59.98 58.84 3h2o h ARG 201 Cb 0.50 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.95 3h2o h ARG 201 CO 0.03 0.86 -0.22 0.09 -1.51 0.00 0.00 179.97 179.21 3h2o n ASN 202 N -3.91 2.81 -0.30 -3.80 3.02 0.17 -4.65 115.26 108.58 3h2o n ASN 202 Ca -0.03 -3.82 0.09 0.00 -0.03 0.00 0.00 54.58 50.79 3h2o n ASN 202 Cb 0.61 -0.60 0.25 0.00 -0.61 0.00 0.00 39.78 39.44 3h2o n ASN 202 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3h2o h LEU 203 N 1.18 0.46 -2.16 3.41 7.12 -0.77 -2.51 115.31 122.05 3h2o h LEU 203 Ca 0.21 0.11 -0.00 0.00 0.13 0.00 0.00 57.88 58.33 3h2o h LEU 203 Cb 1.47 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.65 3h2o h LEU 203 CO 0.41 0.15 -0.02 1.05 -0.13 0.00 0.00 178.44 179.90 3h2o h GLU 204 N 0.55 0.00 0.00 1.25 9.09 -1.83 0.36 114.58 124.00 3h2o h GLU 204 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3h2o h GLU 204 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 3h2o h GLU 204 CO -0.42 0.02 0.00 1.04 0.05 0.00 0.00 179.01 179.70 3h2o n GLN 205 N -3.16 0.06 0.22 1.06 6.02 -0.94 -0.68 117.38 119.95 3h2o n GLN 205 Ca -0.01 0.29 0.10 0.00 -0.01 0.00 0.00 57.00 57.36 3h2o n GLN 205 Cb 0.20 -1.50 0.44 0.00 1.02 0.00 0.00 30.24 30.40 3h2o n GLN 205 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h2o h LEU 206 N 0.00 0.00 -0.05 1.08 3.38 -1.10 -3.32 115.31 115.31 3h2o h LEU 206 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2o h LEU 206 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h2o h LEU 206 CO 0.00 0.22 0.00 0.78 0.09 0.00 0.00 178.44 179.53 3h2o h ASN 207 N 0.00 0.00 0.02 -0.43 2.35 -1.10 -2.96 115.58 113.45 3h2o h ASN 207 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h2o h ASN 207 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3h2o h ASN 207 CO 0.03 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.14 3h2o n VAL 208 N -2.73 1.56 1.00 2.81 0.24 -1.25 -2.14 118.33 117.83 3h2o n VAL 208 Ca 0.05 0.59 0.13 0.00 -2.04 0.00 0.00 64.34 63.06 3h2o n VAL 208 Cb 0.48 -1.58 0.34 0.00 -1.47 0.00 0.00 33.84 31.61 3h2o n VAL 208 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h2o n LEU 209 N -1.83 0.38 -0.01 1.34 4.77 -1.12 -4.93 117.00 115.60 3h2o n LEU 209 Ca -0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3h2o n LEU 209 Cb 0.02 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3h2o n LEU 209 CO 0.05 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3h2o n GLY 210 N 1.50 0.45 3.15 -0.72 0.00 -0.91 -5.06 105.19 103.60 3h2o n GLY 210 Ca 0.06 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 3h2o n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2o s TYR 211 N -2.02 0.99 0.15 1.61 1.51 -1.26 -5.09 117.35 113.23 3h2o s TYR 211 Ca 0.00 -0.59 -0.34 0.00 -1.01 0.00 0.00 57.07 55.13 3h2o s TYR 211 Cb 0.00 -0.56 -0.16 0.00 -0.11 0.00 0.00 41.96 41.13 3h2o s TYR 211 CO 0.00 -0.01 1.24 -2.30 -1.11 0.00 0.00 175.55 173.36 3h2o n PRO 212 N 0.91 1.22 -3.83 -1.71 -0.02 -1.26 -4.79 135.00 125.52 3h2o n PRO 212 Ca -0.19 0.44 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 3h2o n PRO 212 Cb 0.56 -1.99 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 3h2o n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h2o s VAL 213 N 0.05 4.18 -0.09 -1.45 1.01 -1.26 0.43 120.40 123.28 3h2o s VAL 213 Ca 0.77 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 3h2o s VAL 213 Cb -0.87 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3h2o s VAL 213 CO 0.50 0.37 0.02 -0.22 0.00 0.00 0.00 175.10 175.77 3h2o s LEU 214 N 1.45 3.68 -0.04 3.92 0.20 -0.05 0.77 118.68 128.60 3h2o s LEU 214 Ca 0.05 0.18 -0.01 0.00 0.69 0.00 0.00 54.13 55.04 3h2o s LEU 214 Cb -0.15 -1.85 0.03 0.00 -0.43 0.00 0.00 46.19 43.79 3h2o s LEU 214 CO 0.03 0.38 0.04 -0.22 -0.29 0.00 0.00 176.35 176.29 3h2o s LEU 215 N -0.86 0.42 -0.50 -0.68 2.96 0.78 -4.11 118.68 116.68 3h2o s LEU 215 Ca 0.13 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 3h2o s LEU 215 Cb -0.11 -0.17 0.13 0.00 0.50 0.00 0.00 46.19 46.54 3h2o s LEU 215 CO 0.02 -0.21 0.32 -0.83 -1.32 0.00 0.00 176.35 174.33 3h2o s GLY 216 N 1.88 2.19 0.00 7.98 0.00 -1.26 -1.98 107.32 116.13 3h2o s GLY 216 Ca 0.02 -2.80 0.00 0.00 0.00 0.00 0.00 44.72 41.93 3h2o s GLY 216 CO -0.03 1.07 0.66 -1.30 0.00 0.00 0.00 173.10 173.50 3h2o n THR 217 N 4.26 0.42 -2.03 0.90 -2.24 -1.26 -4.38 114.28 109.94 3h2o n THR 217 Ca 0.01 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 3h2o n THR 217 Cb 0.40 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 3h2o n THR 217 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h2o s SER 218 N -0.42 6.36 -0.04 3.42 0.15 -1.26 -2.82 113.70 119.09 3h2o s SER 218 Ca 0.00 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.46 3h2o s SER 218 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3h2o s SER 218 CO 0.00 -1.24 0.00 0.54 1.20 0.00 0.00 173.24 173.74 3h2o n ARG 219 N 7.65 -0.44 -1.87 5.44 1.74 -1.26 -4.88 116.66 123.03 3h2o n ARG 219 Ca 0.19 0.16 -0.38 0.00 -0.77 0.00 0.00 57.85 57.06 3h2o n ARG 219 Cb 0.45 -3.53 0.04 0.00 -1.02 0.00 0.00 32.46 28.39 3h2o n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2o s LYS 220 N -0.62 3.15 0.39 5.56 -0.14 -1.13 -4.85 119.74 122.11 3h2o s LYS 220 Ca 0.00 2.11 0.07 0.00 -1.36 0.00 0.00 55.97 56.80 3h2o s LYS 220 Cb 0.00 -2.20 0.82 0.00 -1.68 0.00 0.00 37.83 34.76 3h2o s LYS 220 CO 0.00 -1.14 2.00 0.66 -0.76 0.00 0.00 175.35 176.10 3h2o h SER 221 N 1.39 0.56 0.05 2.83 4.64 -1.93 0.58 113.55 121.67 3h2o h SER 221 Ca -0.51 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3h2o h SER 221 Cb 1.30 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3h2o h SER 221 CO 0.57 0.38 -0.02 2.19 -0.87 0.00 0.00 176.83 179.08 3h2o h PHE 222 N 0.65 0.00 -0.49 4.77 -5.15 -1.92 0.36 116.94 115.16 3h2o h PHE 222 Ca 0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 3h2o h PHE 222 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.34 3h2o h PHE 222 CO -0.00 0.02 0.32 0.82 -2.00 0.00 0.00 178.31 177.47 3h2o h ILE 223 N 0.00 1.14 0.00 0.88 2.04 -0.15 -2.61 117.51 118.80 3h2o h ILE 223 Ca -0.00 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3h2o h ILE 223 Cb 0.05 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3h2o h ILE 223 CO 0.00 0.13 -0.12 1.23 0.00 0.00 0.00 178.15 179.39 3h2o h GLY 224 N 0.67 0.00 1.83 5.37 0.00 -0.43 -0.39 103.07 110.11 3h2o h GLY 224 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 3h2o h GLY 224 CO -0.04 0.00 -0.47 0.84 0.00 0.00 0.00 176.54 176.87 3h2o h HIS 225 N 0.00 0.23 0.00 5.60 -0.00 -0.51 -1.31 115.15 119.16 3h2o h HIS 225 Ca -0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 60.22 3h2o h HIS 225 Cb 0.50 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 3h2o h HIS 225 CO 0.00 0.63 -0.67 0.28 -0.00 0.00 0.00 177.93 178.17 3h2o h VAL 226 N 0.16 0.39 0.00 5.26 2.07 -1.09 -3.39 116.25 119.65 3h2o h VAL 226 Ca 0.01 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3h2o h VAL 226 Cb 0.89 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3h2o h VAL 226 CO 0.07 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.97 3h2o n LEU 227 N -4.57 0.19 -3.43 2.57 4.77 -0.25 -4.95 117.00 111.33 3h2o n LEU 227 Ca -0.15 0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 3h2o n LEU 227 Cb 0.38 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3h2o n LEU 227 CO 0.13 -0.15 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.37 3h2o n ASP 228 N -1.69 -5.24 -3.65 -1.43 2.03 -0.49 -5.03 116.55 101.04 3h2o n ASP 228 Ca 0.05 -0.79 -0.06 0.00 0.52 0.00 0.00 54.79 54.51 3h2o n ASP 228 Cb 0.30 -4.59 -0.07 0.00 -0.72 0.00 0.00 41.12 36.03 3h2o n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h2o s LEU 229 N -5.91 -0.83 0.00 -2.67 1.43 -1.24 -5.09 118.68 104.37 3h2o s LEU 229 Ca 0.37 1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 54.76 3h2o s LEU 229 Cb -0.08 2.02 0.12 0.00 0.03 0.00 0.00 46.19 48.28 3h2o s LEU 229 CO 0.78 -0.22 0.73 -0.81 0.23 0.00 0.00 176.35 177.05 3h2o n PRO 230 N 4.87 -0.38 -0.16 1.29 -0.04 -1.26 -4.22 135.00 135.11 3h2o n PRO 230 Ca -0.16 -1.43 -0.02 0.00 -0.04 0.00 0.00 63.50 61.85 3h2o n PRO 230 Cb 0.53 -0.65 0.06 0.00 -0.04 0.00 0.00 33.50 33.41 3h2o n PRO 230 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3h2o h VAL 231 N -1.06 0.68 0.00 0.52 3.04 -1.98 0.12 116.25 117.57 3h2o h VAL 231 Ca -0.24 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3h2o h VAL 231 Cb 0.73 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3h2o h VAL 231 CO 0.20 0.03 0.00 -1.84 -1.01 0.00 0.00 177.57 174.95 3h2o n GLU 232 N -5.15 0.75 -0.65 4.17 0.00 -1.26 -2.61 120.64 115.89 3h2o n GLU 232 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.27 3h2o n GLU 232 Cb 0.25 -1.16 0.10 0.00 0.00 0.00 0.00 31.44 30.63 3h2o n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2o n GLU 233 N -0.24 0.77 -0.98 3.44 -0.58 0.40 -4.82 120.64 118.63 3h2o n GLU 233 Ca 0.00 -2.28 -0.06 0.00 -0.42 0.00 0.00 57.16 54.40 3h2o n GLU 233 Cb 0.08 -0.95 0.17 0.00 -0.57 0.00 0.00 31.44 30.16 3h2o n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2o n ARG 234 N -0.57 2.10 0.05 3.49 1.74 -1.07 -4.64 116.66 117.76 3h2o n ARG 234 Ca 0.11 -3.40 -0.20 0.00 -0.77 0.00 0.00 57.85 53.58 3h2o n ARG 234 Cb 0.79 -1.86 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 3h2o n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2o h LEU 235 N 1.25 0.77 -0.57 0.55 6.46 -1.88 -2.68 115.31 119.21 3h2o h LEU 235 Ca 0.20 -0.80 0.06 0.00 -0.12 0.00 0.00 57.88 57.22 3h2o h LEU 235 Cb 1.40 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 41.04 3h2o h LEU 235 CO 0.39 1.48 0.26 -0.33 -0.62 0.00 0.00 178.44 179.62 3h2o h GLU 236 N 0.14 0.48 -0.63 1.25 3.07 -2.00 -2.42 114.58 114.47 3h2o h GLU 236 Ca -0.14 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.64 3h2o h GLU 236 Cb 1.69 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.47 3h2o h GLU 236 CO 0.19 0.31 0.19 0.78 -1.40 0.00 0.00 179.01 179.09 3h2o h GLY 237 N 0.49 1.03 0.86 -3.84 0.00 -1.87 -2.44 103.07 97.30 3h2o h GLY 237 Ca 0.26 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3h2o h GLY 237 CO -0.21 0.55 -0.06 -0.84 0.00 0.00 0.00 176.54 175.98 3h2o h THR 238 N 0.93 1.28 0.00 4.70 2.02 -1.24 -1.81 112.91 118.78 3h2o h THR 238 Ca 0.21 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3h2o h THR 238 Cb 0.27 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3h2o h THR 238 CO -0.01 0.33 0.00 0.61 0.37 0.00 0.00 175.52 176.82 3h2o n GLY 239 N -0.18 -1.03 0.24 2.16 0.00 -0.93 0.63 105.19 106.08 3h2o n GLY 239 Ca -0.04 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 3h2o n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o h ALA 240 N -0.57 0.81 -0.65 4.61 0.00 -1.01 0.85 119.26 123.30 3h2o h ALA 240 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2o h ALA 240 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3h2o h ALA 240 CO 0.00 0.08 0.42 1.79 0.00 0.00 0.00 179.25 181.53 3h2o h THR 241 N 0.70 1.18 -0.40 0.00 1.35 -0.79 0.37 112.91 115.32 3h2o h THR 241 Ca 0.26 -0.36 0.02 0.00 -0.55 0.00 0.00 66.41 65.78 3h2o h THR 241 Cb 0.08 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 66.71 3h2o h THR 241 CO -0.13 0.18 0.22 0.58 -0.25 0.00 0.00 175.52 176.12 3h2o h VAL 242 N 0.89 1.02 0.46 6.82 2.07 0.20 0.20 116.25 127.90 3h2o h VAL 242 Ca 0.24 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3h2o h VAL 242 Cb -0.07 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3h2o h VAL 242 CO -0.05 0.08 -0.22 0.00 0.02 0.00 0.00 177.57 177.41 3h2o h LEU 244 N -0.67 -1.19 -0.92 0.00 5.85 -0.93 0.17 115.31 117.62 3h2o h LEU 244 Ca -0.06 0.20 0.26 0.00 0.84 0.00 0.00 57.88 59.12 3h2o h LEU 244 Cb 0.50 0.55 -0.15 0.00 0.37 0.00 0.00 40.66 41.93 3h2o h LEU 244 CO 0.10 -0.34 0.32 1.23 -0.34 0.00 0.00 178.44 179.42 3h2o h GLY 245 N -0.27 1.56 1.71 3.75 0.00 -0.43 0.26 103.07 109.65 3h2o h GLY 245 Ca 0.17 -0.08 -0.25 0.00 0.00 0.00 0.00 47.33 47.16 3h2o h GLY 245 CO -0.56 -0.42 -1.15 -2.22 0.00 0.00 0.00 176.54 172.20 3h2o h ILE 246 N 0.23 1.54 0.00 2.60 2.04 -0.74 -2.57 117.51 120.62 3h2o h ILE 246 Ca 0.61 -3.07 -0.04 0.00 1.00 0.00 0.00 64.86 63.35 3h2o h ILE 246 Cb 1.29 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 40.23 3h2o h ILE 246 CO -0.66 0.89 -0.19 -0.08 0.00 0.00 0.00 178.15 178.11 3h2o h GLU 247 N 0.07 0.00 -0.67 2.37 4.22 0.22 -0.46 114.58 120.34 3h2o h GLU 247 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.34 3h2o h GLU 247 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 3h2o h GLU 247 CO 0.18 0.19 0.00 1.63 -2.18 0.00 0.00 179.01 178.84 3h2o n LYS 248 N -3.34 2.93 -1.77 1.92 5.02 0.03 -4.92 118.16 118.01 3h2o n LYS 248 Ca 0.00 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.79 3h2o n LYS 248 Cb 0.42 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3h2o n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2o n GLY 249 N 1.39 0.80 3.85 0.72 0.00 -0.18 -4.29 105.19 107.48 3h2o n GLY 249 Ca 0.23 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 3h2o n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o n GLU 251 N -1.35 0.76 -3.82 0.00 4.71 0.23 -4.77 120.64 116.40 3h2o n GLU 251 Ca -0.03 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.16 56.90 3h2o n GLU 251 Cb 0.59 -1.30 -0.15 0.00 -1.01 0.00 0.00 31.44 29.58 3h2o n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h2o s PHE 252 N -2.74 -0.02 0.07 -0.32 0.40 -1.07 0.03 117.98 114.33 3h2o s PHE 252 Ca -0.05 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 3h2o s PHE 252 Cb 0.07 -0.09 -0.04 0.00 0.51 0.00 0.00 43.02 43.47 3h2o s PHE 252 CO 0.51 -0.06 0.09 0.14 0.70 0.00 0.00 175.22 176.60 3h2o s VAL 253 N 0.50 4.62 -0.24 -0.44 -7.23 -1.15 -0.16 120.40 116.29 3h2o s VAL 253 Ca -0.04 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 3h2o s VAL 253 Cb -0.06 -3.21 0.06 0.00 0.56 0.00 0.00 36.38 33.73 3h2o s VAL 253 CO -0.02 0.16 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.24 3h2o s ARG 254 N -2.31 1.96 0.18 4.82 3.52 -0.84 -1.81 118.95 124.47 3h2o s ARG 254 Ca 0.29 -1.13 0.06 0.00 -0.13 0.00 0.00 55.73 54.82 3h2o s ARG 254 Cb -0.12 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 3h2o s ARG 254 CO 0.21 -0.56 -0.13 0.14 -0.81 0.00 0.00 175.30 174.16 3h2o s VAL 255 N 1.26 1.49 -0.12 7.11 -7.23 -0.73 -4.05 120.40 118.12 3h2o s VAL 255 Ca -0.07 -2.11 -0.21 0.00 -1.81 0.00 0.00 61.98 57.78 3h2o s VAL 255 Cb -0.19 -1.93 -0.26 0.00 0.56 0.00 0.00 36.38 34.56 3h2o s VAL 255 CO -0.06 -0.64 0.60 0.45 -0.31 0.00 0.00 175.10 175.14 3h2o h HIS 256 N 2.73 0.28 -1.16 2.82 3.86 -1.89 -0.49 115.15 121.29 3h2o h HIS 256 Ca -0.38 -0.20 -0.73 0.00 -1.16 0.00 0.00 60.37 57.90 3h2o h HIS 256 Cb 1.21 -0.01 -0.13 0.00 1.06 0.00 0.00 27.41 29.54 3h2o h HIS 256 CO 0.68 1.38 2.33 -0.25 0.86 0.00 0.00 177.93 182.93 3h2o n ASP 257 N -4.20 8.00 -0.11 2.45 10.43 -1.26 -4.78 116.55 127.08 3h2o n ASP 257 Ca -0.21 -3.15 -0.03 0.00 2.57 0.00 0.00 54.79 53.97 3h2o n ASP 257 Cb 0.75 -1.35 -0.03 0.00 1.84 0.00 0.00 41.12 42.34 3h2o n ASP 257 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3h2o n VAL 258 N 1.66 -0.17 -0.13 2.53 0.31 -1.26 -2.47 118.33 118.79 3h2o n VAL 258 Ca 0.62 0.89 -0.10 0.00 -0.01 0.00 0.00 64.34 65.74 3h2o n VAL 258 Cb 0.26 -1.13 -0.05 0.00 -0.91 0.00 0.00 33.84 32.01 3h2o n VAL 258 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3h2o h LYS 259 N 0.00 -0.31 0.43 5.55 3.64 -1.88 0.72 116.57 124.72 3h2o h LYS 259 Ca 0.04 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3h2o h LYS 259 Cb 0.10 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3h2o h LYS 259 CO -0.24 -0.21 -0.21 0.93 -2.27 0.00 0.00 179.45 177.46 3h2o h GLU 260 N -0.32 -0.56 -0.93 1.90 3.07 -1.84 -2.43 114.58 113.48 3h2o h GLU 260 Ca 0.14 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.07 3h2o h GLU 260 Cb 0.58 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.57 3h2o h GLU 260 CO -0.58 -0.26 0.61 0.52 -1.40 0.00 0.00 179.01 177.89 3h2o h MET 261 N -0.82 1.14 -0.53 2.33 2.86 -1.07 -2.41 114.93 116.43 3h2o h MET 261 Ca -0.06 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3h2o h MET 261 Cb 0.55 -0.26 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 3h2o h MET 261 CO 0.10 0.75 0.21 1.03 1.06 0.00 0.00 176.91 180.06 3h2o h SER 262 N 1.17 0.23 0.58 1.22 0.87 0.69 0.75 113.55 119.07 3h2o h SER 262 Ca 0.36 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.81 3h2o h SER 262 Cb -0.01 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3h2o h SER 262 CO -0.11 0.16 -0.77 0.03 -0.53 0.00 0.00 176.83 175.62 3h2o h ARG 263 N 0.40 0.14 -0.31 2.24 3.08 -1.02 -2.13 114.38 116.79 3h2o h ARG 263 Ca 0.26 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 3h2o h ARG 263 Cb 0.26 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3h2o h ARG 263 CO -0.24 0.84 -0.35 0.52 -1.07 0.00 0.00 179.97 179.67 3h2o h MET 264 N 0.09 0.71 -0.06 0.04 2.86 -0.62 -2.63 114.93 115.31 3h2o h MET 264 Ca -0.02 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3h2o h MET 264 Cb 1.34 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 3h2o h MET 264 CO 0.11 0.95 -0.03 0.00 1.06 0.00 0.00 176.91 179.00 3h2o h ALA 265 N 1.02 0.09 -0.78 6.32 0.00 0.54 -2.31 119.26 124.13 3h2o h ALA 265 Ca 0.06 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 54.96 3h2o h ALA 265 Cb 0.87 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3h2o h ALA 265 CO 0.08 -0.17 0.56 1.57 0.00 0.00 0.00 179.25 181.29 3h2o h LYS 266 N -0.24 0.02 0.25 0.00 2.10 -1.35 -2.53 116.57 114.83 3h2o h LYS 266 Ca 0.01 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 3h2o h LYS 266 Cb 0.46 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3h2o h LYS 266 CO 0.01 0.02 -0.12 1.98 -2.00 0.00 0.00 179.45 179.33 3h2o h MET 267 N 0.02 -0.33 -0.52 0.07 -1.53 -1.21 -3.15 114.93 108.30 3h2o h MET 267 Ca 0.37 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.70 3h2o h MET 267 Cb 1.47 0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 32.53 3h2o h MET 267 CO -0.01 -0.22 -0.31 -1.33 0.14 0.00 0.00 176.91 175.18 3h2o n MET 268 N -4.21 -0.23 -0.37 0.39 2.81 -0.89 0.31 117.12 114.93 3h2o n MET 268 Ca -0.04 0.88 0.30 0.00 -1.81 0.00 0.00 57.70 57.02 3h2o n MET 268 Cb 0.13 -1.30 0.56 0.00 -0.71 0.00 0.00 33.22 31.91 3h2o n MET 268 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3h2o h ASP 269 N 0.00 0.38 1.11 7.83 3.45 -1.57 1.59 116.42 129.22 3h2o h ASP 269 Ca 0.08 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3h2o h ASP 269 Cb 0.21 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3h2o h ASP 269 CO -0.49 -0.19 -0.60 0.00 -1.57 0.00 0.00 179.24 176.39 3h2o h ALA 270 N 1.77 0.65 0.01 3.45 0.00 -0.09 0.58 119.26 125.63 3h2o h ALA 270 Ca 0.77 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.48 3h2o h ALA 270 Cb 2.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 3h2o h ALA 270 CO -0.54 0.00 -0.91 0.52 0.00 0.00 0.00 179.25 178.32 3h2o h MET 271 N 0.00 0.15 -0.02 0.00 2.86 0.38 -3.28 114.93 115.02 3h2o h MET 271 Ca 0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3h2o h MET 271 Cb 0.86 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3h2o h MET 271 CO 0.00 0.96 -0.26 0.44 1.06 0.00 0.00 176.91 179.11 3h2o n ILE 272 N -3.61 0.00 -3.13 -1.22 -0.00 -0.44 -4.93 119.36 106.03 3h2o n ILE 272 Ca -0.03 -0.37 -0.14 0.00 -0.00 0.00 0.00 62.75 62.20 3h2o n ILE 272 Cb 0.83 1.36 0.06 0.00 -0.00 0.00 0.00 39.64 41.89 3h2o n ILE 272 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3h2o n GLY 273 N 1.35 -0.09 0.27 3.28 0.00 -1.06 -5.09 105.19 103.86 3h2o n GLY 273 Ca 0.11 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.22 3h2o n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49