#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh8 n HIS 7 N 0.00 0.00 -2.21 0.66 -0.00 -1.26 -4.59 115.22 107.82 2wh8 n HIS 7 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 2wh8 n HIS 7 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 2wh8 n HIS 7 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2wh8 s GLU 8 N -1.55 4.13 0.23 -0.41 2.56 -1.26 -4.67 118.70 117.73 2wh8 s GLU 8 Ca 0.18 2.00 -0.31 0.00 0.00 0.00 0.00 54.97 56.84 2wh8 s GLU 8 Cb 0.14 -2.82 -0.11 0.00 2.00 0.00 0.00 34.13 33.35 2wh8 s GLU 8 CO 0.27 -0.30 1.56 0.12 -0.56 0.00 0.00 175.26 176.34 2wh8 s PHE 9 N -1.30 2.95 -0.03 5.30 5.36 -1.26 -4.99 117.98 124.02 2wh8 s PHE 9 Ca 0.54 0.75 -0.24 0.00 -0.96 0.00 0.00 56.93 57.03 2wh8 s PHE 9 Cb -0.35 -3.96 0.05 0.00 -0.34 0.00 0.00 43.02 38.42 2wh8 s PHE 9 CO 0.44 -3.35 0.52 1.14 -1.46 0.00 0.00 175.22 172.51 2wh8 s GLN 10 N 0.26 0.91 0.19 10.12 -2.07 -1.26 -5.13 119.66 122.68 2wh8 s GLN 10 Ca 0.66 0.03 -0.30 0.00 -1.82 0.00 0.00 55.36 53.93 2wh8 s GLN 10 Cb -0.45 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 31.81 2wh8 s GLN 10 CO 0.39 -0.28 1.20 -0.51 -1.32 0.00 0.00 175.29 174.77 2wh8 s LEU 11 N -1.32 4.45 0.69 2.60 1.43 -1.26 -4.97 118.68 120.29 2wh8 s LEU 11 Ca -0.11 2.25 -0.17 0.00 -1.03 0.00 0.00 54.13 55.07 2wh8 s LEU 11 Cb -0.02 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.60 2wh8 s LEU 11 CO 0.07 -0.36 1.25 0.00 0.23 0.00 0.00 176.35 177.54 2wh8 s ALA 12 N -0.15 2.25 0.33 4.21 0.00 -1.26 -5.00 121.76 122.13 2wh8 s ALA 12 Ca 0.52 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.59 2wh8 s ALA 12 Cb -0.33 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2wh8 s ALA 12 CO 0.37 -1.74 0.14 0.95 0.00 0.00 0.00 175.76 175.49 2wh8 s THR 13 N -1.65 0.49 0.54 0.00 -4.23 -1.26 -4.06 115.64 105.47 2wh8 s THR 13 Ca 0.79 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.52 2wh8 s THR 13 Cb -0.34 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.33 2wh8 s THR 13 CO 0.42 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.59 2wh8 h ALA 14 N 2.12 2.14 0.00 3.99 0.00 -1.85 0.16 119.26 125.82 2wh8 h ALA 14 Ca -0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2wh8 h ALA 14 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2wh8 h ALA 14 CO 0.55 -0.30 -0.23 0.93 0.00 0.00 0.00 179.25 180.20 2wh8 h GLU 15 N 0.00 0.00 0.00 0.00 3.07 -1.92 -3.30 114.58 112.43 2wh8 h GLU 15 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2wh8 h GLU 15 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2wh8 h GLU 15 CO -0.00 0.23 -0.98 0.25 -1.40 0.00 0.00 179.01 177.12 2wh8 n THR 16 N -3.32 0.00 0.22 1.13 -2.24 -0.11 -4.46 114.28 105.50 2wh8 n THR 16 Ca 0.01 -0.24 0.15 0.00 -2.27 0.00 0.00 64.05 61.71 2wh8 n THR 16 Cb 0.47 0.70 0.81 0.00 -2.10 0.00 0.00 70.33 70.22 2wh8 n THR 16 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2wh8 h TRP 17 N 0.00 0.00 -1.00 4.78 -0.00 -1.22 -2.79 115.95 115.72 2wh8 h TRP 17 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.97 2wh8 h TRP 17 Cb 0.42 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.50 2wh8 h TRP 17 CO 0.00 0.00 0.64 -1.35 -0.00 0.00 0.00 178.44 177.73 2wh8 h PRO 18 N 0.00 1.10 -1.26 0.49 0.11 -1.78 -3.37 132.00 127.30 2wh8 h PRO 18 Ca 0.06 -0.07 -0.40 0.00 0.11 0.00 0.00 66.00 65.71 2wh8 h PRO 18 Cb 0.33 -0.25 -0.28 0.00 0.11 0.00 0.00 31.00 30.92 2wh8 h PRO 18 CO -0.00 0.73 -0.80 -1.71 -0.21 0.00 0.00 178.00 176.01 2wh8 n ASN 19 N -4.53 -1.44 -0.03 -2.05 5.15 -1.06 -4.95 115.26 106.36 2wh8 n ASN 19 Ca 0.16 -2.88 0.13 0.00 -0.60 0.00 0.00 54.58 51.40 2wh8 n ASN 19 Cb 0.22 0.51 0.51 0.00 -0.53 0.00 0.00 39.78 40.50 2wh8 n ASN 19 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wh8 n PRO 20 N 1.92 0.18 -0.04 1.20 -0.04 -1.20 -4.42 135.00 132.60 2wh8 n PRO 20 Ca 0.18 -0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2wh8 n PRO 20 Cb 0.56 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.87 2wh8 n PRO 20 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2wh8 h TRP 21 N 0.13 0.60 -0.24 0.54 -0.00 -1.92 -2.08 115.95 112.98 2wh8 h TRP 21 Ca 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 2wh8 h TRP 21 Cb 0.46 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.42 2wh8 h TRP 21 CO 0.00 0.44 -0.41 -1.35 -0.00 0.00 0.00 178.44 177.12 2wh8 h PRO 22 N 0.62 0.57 -0.51 0.49 0.11 -1.93 -1.69 132.00 129.65 2wh8 h PRO 22 Ca 0.16 -0.30 -0.13 0.00 0.11 0.00 0.00 66.00 65.85 2wh8 h PRO 22 Cb 0.05 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2wh8 h PRO 22 CO -0.02 0.88 -0.18 1.98 -0.21 0.00 0.00 178.00 180.45 2wh8 h MET 23 N 0.47 1.01 -0.91 1.05 -1.53 -1.67 0.81 114.93 114.16 2wh8 h MET 23 Ca 0.04 -0.41 0.07 0.00 -3.44 0.00 0.00 59.70 55.95 2wh8 h MET 23 Cb 0.92 -0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 31.86 2wh8 h MET 23 CO 0.08 1.10 0.57 1.88 0.14 0.00 0.00 176.91 180.68 2wh8 h TYR 24 N 0.88 1.05 -0.28 1.39 0.05 -1.17 -1.55 116.97 117.35 2wh8 h TYR 24 Ca 0.12 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 2wh8 h TYR 24 Cb 0.76 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2wh8 h TYR 24 CO 0.05 0.52 -0.19 -0.09 -1.05 0.00 0.00 178.16 177.40 2wh8 h ARG 25 N 1.02 0.63 -0.72 4.88 2.43 -0.27 -0.83 114.38 121.52 2wh8 h ARG 25 Ca 0.40 -0.30 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2wh8 h ARG 25 Cb 0.21 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2wh8 h ARG 25 CO -0.19 0.89 0.39 0.00 -1.51 0.00 0.00 179.97 179.56 2wh8 h ALA 26 N 0.72 0.98 0.00 2.80 0.00 -0.63 -1.07 119.26 122.07 2wh8 h ALA 26 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wh8 h ALA 26 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2wh8 h ALA 26 CO 0.05 0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.24 2wh8 h LEU 27 N 0.70 -0.11 -1.39 0.00 3.38 -1.08 -1.47 115.31 115.34 2wh8 h LEU 27 Ca 0.33 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 2wh8 h LEU 27 Cb 0.26 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2wh8 h LEU 27 CO -0.21 -0.06 -0.30 0.03 0.09 0.00 0.00 178.44 177.99 2wh8 h ARG 28 N -0.07 0.01 0.14 1.13 3.08 -0.64 0.20 114.38 118.22 2wh8 h ARG 28 Ca 0.02 -0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.70 2wh8 h ARG 28 Cb 0.09 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2wh8 h ARG 28 CO -0.04 0.31 -1.96 -0.44 -1.07 0.00 0.00 179.97 176.77 2wh8 h ASP 29 N 0.01 0.45 0.00 7.04 3.32 -1.24 -3.42 116.42 122.58 2wh8 h ASP 29 Ca -0.00 -0.96 0.00 0.00 0.02 0.00 0.00 57.03 56.09 2wh8 h ASP 29 Cb 0.53 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2wh8 h ASP 29 CO 0.04 1.85 -0.86 1.41 -1.72 0.00 0.00 179.24 179.96 2wh8 n HIS 30 N -3.50 0.00 -2.73 4.55 8.25 -0.55 -4.84 115.22 116.39 2wh8 n HIS 30 Ca -0.31 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.08 2wh8 n HIS 30 Cb 1.05 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 32.14 2wh8 n HIS 30 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wh8 n ASP 31 N -1.48 -2.57 0.21 0.41 2.03 0.56 -5.02 116.55 110.70 2wh8 n ASP 31 Ca 0.00 -3.23 0.08 0.00 0.52 0.00 0.00 54.79 52.16 2wh8 n ASP 31 Cb 0.18 1.74 0.47 0.00 -0.72 0.00 0.00 41.12 42.80 2wh8 n ASP 31 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2wh8 h PRO 32 N 3.61 0.00 -3.26 -0.67 0.13 -1.42 -3.11 132.00 127.28 2wh8 h PRO 32 Ca -0.15 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.26 2wh8 h PRO 32 Cb 1.07 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.86 2wh8 h PRO 32 CO 0.22 0.28 0.05 0.28 -0.23 0.00 0.00 178.00 178.60 2wh8 n VAL 33 N -3.67 3.46 -3.08 1.56 0.31 -1.26 -3.52 118.33 112.13 2wh8 n VAL 33 Ca -0.01 -5.24 -0.40 0.00 -0.01 0.00 0.00 64.34 58.68 2wh8 n VAL 33 Cb 0.39 -2.38 -0.05 0.00 -0.91 0.00 0.00 33.84 30.89 2wh8 n VAL 33 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2wh8 s HIS 34 N -1.55 3.44 -0.43 3.52 2.46 -0.70 -4.86 115.29 117.16 2wh8 s HIS 34 Ca 0.29 1.05 -0.21 0.00 0.47 0.00 0.00 55.06 56.66 2wh8 s HIS 34 Cb -0.05 -2.82 0.02 0.00 -0.13 0.00 0.00 32.58 29.60 2wh8 s HIS 34 CO -0.09 -0.10 0.68 -1.58 -2.47 0.00 0.00 174.74 171.17 2wh8 s HIS 35 N 1.62 3.05 -0.28 3.88 2.46 -1.26 -0.49 115.29 124.27 2wh8 s HIS 35 Ca 0.32 0.04 -0.22 0.00 0.47 0.00 0.00 55.06 55.67 2wh8 s HIS 35 Cb -0.16 -3.41 -0.01 0.00 -0.13 0.00 0.00 32.58 28.87 2wh8 s HIS 35 CO 0.12 -0.88 0.70 0.08 -2.47 0.00 0.00 174.74 172.30 2wh8 s VAL 36 N 2.93 4.90 -0.35 0.89 1.01 0.99 -4.99 120.40 125.78 2wh8 s VAL 36 Ca 0.25 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.37 2wh8 s VAL 36 Cb -0.14 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.30 2wh8 s VAL 36 CO 0.20 -0.11 0.07 -0.69 0.00 0.00 0.00 175.10 174.56 2wh8 s VAL 37 N 2.71 2.53 -0.07 2.92 1.01 -1.26 -1.14 120.40 127.10 2wh8 s VAL 37 Ca 0.29 -2.18 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 2wh8 s VAL 37 Cb -0.15 -2.79 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 2wh8 s VAL 37 CO 0.10 -0.55 2.01 -2.84 0.00 0.00 0.00 175.10 173.83 2wh8 s PRO 38 N 0.99 3.79 0.21 2.72 0.02 -1.26 -4.90 135.00 136.57 2wh8 s PRO 38 Ca 0.08 2.34 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 2wh8 s PRO 38 Cb -0.20 -4.22 0.26 0.00 0.02 0.00 0.00 34.50 30.36 2wh8 s PRO 38 CO -0.07 -1.35 1.65 -1.35 -0.33 0.00 0.00 177.00 175.55 2wh8 h PRO 39 N 12.02 0.06 0.00 5.54 0.11 -1.97 0.15 132.00 147.91 2wh8 h PRO 39 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wh8 h PRO 39 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wh8 h PRO 39 CO 0.95 0.04 -0.00 1.96 -0.21 0.00 0.00 178.00 180.74 2wh8 h GLN 40 N 0.06 0.00 -1.81 1.05 7.50 -2.05 -3.35 115.11 116.51 2wh8 h GLN 40 Ca 0.31 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.95 2wh8 h GLN 40 Cb 0.49 0.00 -0.34 0.00 0.05 0.00 0.00 27.48 27.67 2wh8 h GLN 40 CO -0.57 0.00 -0.96 2.89 -1.50 0.00 0.00 178.83 178.69 2wh8 n ARG 41 N -3.09 0.55 0.22 1.46 1.85 0.45 -4.98 116.66 113.12 2wh8 n ARG 41 Ca 0.01 -2.96 0.09 0.00 -1.00 0.00 0.00 57.85 53.99 2wh8 n ARG 41 Cb 0.31 -1.39 0.64 0.00 -1.05 0.00 0.00 32.46 30.97 2wh8 n ARG 41 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2wh8 h PRO 42 N 4.54 0.02 -0.29 2.89 0.13 -1.48 -0.66 132.00 137.16 2wh8 h PRO 42 Ca 0.10 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.32 2wh8 h PRO 42 Cb 0.92 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2wh8 h PRO 42 CO 0.39 0.02 0.28 0.93 -0.23 0.00 0.00 178.00 179.38 2wh8 h GLU 43 N 0.02 0.00 -1.01 0.86 3.07 -1.94 -1.95 114.58 113.64 2wh8 h GLU 43 Ca 0.03 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.46 2wh8 h GLU 43 Cb 0.10 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 27.76 2wh8 h GLU 43 CO -0.00 0.00 0.56 0.66 -1.40 0.00 0.00 179.01 178.82 2wh8 n TYR 44 N -3.96 2.56 -1.07 4.33 4.02 -0.25 -4.96 117.16 117.84 2wh8 n TYR 44 Ca 0.04 -1.67 -0.33 0.00 -0.01 0.00 0.00 57.90 55.94 2wh8 n TYR 44 Cb 0.43 -0.85 0.13 0.00 -0.02 0.00 0.00 39.34 39.03 2wh8 n TYR 44 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2wh8 s ASP 45 N -0.92 3.55 0.35 7.72 -4.77 -0.73 -4.73 116.67 117.13 2wh8 s ASP 45 Ca 0.48 2.29 -0.15 0.00 -3.30 0.00 0.00 52.55 51.87 2wh8 s ASP 45 Cb 0.40 -2.58 0.04 0.00 -1.09 0.00 0.00 42.92 39.68 2wh8 s ASP 45 CO 0.09 -2.69 0.70 -0.72 0.70 0.00 0.00 175.17 173.25 2wh8 s TYR 46 N -2.29 0.21 0.29 2.11 -0.85 -0.29 -4.58 117.35 111.96 2wh8 s TYR 46 Ca 0.71 -0.76 0.10 0.00 -0.52 0.00 0.00 57.07 56.60 2wh8 s TYR 46 Cb -0.27 0.63 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 2wh8 s TYR 46 CO 0.52 -1.40 -0.06 0.71 -1.52 0.00 0.00 175.55 173.80 2wh8 s TYR 47 N -2.88 2.52 -0.05 -3.49 2.02 -0.17 -0.01 117.35 115.30 2wh8 s TYR 47 Ca 0.17 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 2wh8 s TYR 47 Cb -0.04 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 2wh8 s TYR 47 CO 0.12 0.61 -0.03 0.08 -1.57 0.00 0.00 175.55 174.76 2wh8 s VAL 48 N -2.44 0.46 -0.24 0.71 1.01 0.36 -0.96 120.40 119.29 2wh8 s VAL 48 Ca 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 2wh8 s VAL 48 Cb -0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 2wh8 s VAL 48 CO 0.18 0.22 -0.00 -0.76 0.00 0.00 0.00 175.10 174.74 2wh8 s LEU 49 N 1.19 3.20 -0.01 3.92 1.43 0.60 -1.73 118.68 127.29 2wh8 s LEU 49 Ca -0.07 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2wh8 s LEU 49 Cb -0.14 -1.78 -0.11 0.00 0.03 0.00 0.00 46.19 44.19 2wh8 s LEU 49 CO -0.02 -0.07 0.17 -1.54 0.23 0.00 0.00 176.35 175.12 2wh8 n SER 50 N 4.81 3.14 -4.86 2.29 3.41 -1.23 -0.98 113.62 120.20 2wh8 n SER 50 Ca -0.17 -0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.07 2wh8 n SER 50 Cb 0.50 1.31 -0.06 0.00 -0.26 0.00 0.00 64.21 65.71 2wh8 n SER 50 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2wh8 s ARG 51 N -2.46 3.92 0.12 4.33 0.52 -1.26 -3.15 118.95 120.97 2wh8 s ARG 51 Ca -0.02 0.45 -0.22 0.00 -0.52 0.00 0.00 55.73 55.41 2wh8 s ARG 51 Cb 0.05 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 2wh8 s ARG 51 CO 0.30 0.35 1.69 1.25 0.02 0.00 0.00 175.30 178.91 2wh8 h HIS 52 N 2.87 -0.26 -0.44 -0.53 -0.00 -1.86 -0.04 115.15 114.89 2wh8 h HIS 52 Ca -0.48 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 59.85 2wh8 h HIS 52 Cb 1.18 0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.70 2wh8 h HIS 52 CO 0.63 -0.16 0.02 0.00 -0.00 0.00 0.00 177.93 178.42 2wh8 h ALA 53 N 0.95 1.21 -0.06 5.26 0.00 -1.93 0.77 119.26 125.46 2wh8 h ALA 53 Ca 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2wh8 h ALA 53 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wh8 h ALA 53 CO -0.19 0.52 -0.17 -0.44 0.00 0.00 0.00 179.25 178.98 2wh8 h ASP 54 N 0.67 0.25 -0.47 0.00 3.32 -1.81 -2.35 116.42 116.03 2wh8 h ASP 54 Ca 0.14 -0.60 0.03 0.00 0.02 0.00 0.00 57.03 56.62 2wh8 h ASP 54 Cb 0.39 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 2wh8 h ASP 54 CO 0.01 0.81 0.26 0.58 -1.72 0.00 0.00 179.24 179.18 2wh8 h VAL 55 N -0.29 1.01 0.24 -1.35 2.07 -0.91 -0.69 116.25 116.33 2wh8 h VAL 55 Ca -0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2wh8 h VAL 55 Cb 0.78 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2wh8 h VAL 55 CO 0.04 0.09 -0.16 -0.25 0.02 0.00 0.00 177.57 177.31 2wh8 h TRP 56 N 0.51 -0.41 -0.29 1.57 2.91 -0.87 -0.89 115.95 118.49 2wh8 h TRP 56 Ca 0.19 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.13 2wh8 h TRP 56 Cb 0.06 0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 2wh8 h TRP 56 CO -0.08 -0.25 -0.16 0.66 -1.03 0.00 0.00 178.44 177.58 2wh8 h SER 57 N -0.39 0.50 -0.28 2.65 4.64 -1.30 -2.28 113.55 117.09 2wh8 h SER 57 Ca -0.02 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 2wh8 h SER 57 Cb 0.33 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2wh8 h SER 57 CO 0.01 0.68 -0.05 0.00 -0.87 0.00 0.00 176.83 176.60 2wh8 h ALA 58 N 1.37 0.38 -0.69 5.18 0.00 -1.00 -0.37 119.26 124.13 2wh8 h ALA 58 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2wh8 h ALA 58 Cb 0.55 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2wh8 h ALA 58 CO 0.04 0.18 0.43 0.00 0.00 0.00 0.00 179.25 179.90 2wh8 h ALA 59 N 0.79 0.91 -0.42 0.00 0.00 -1.02 -2.45 119.26 117.07 2wh8 h ALA 59 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2wh8 h ALA 59 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2wh8 h ALA 59 CO 0.02 0.18 -0.28 -0.09 0.00 0.00 0.00 179.25 179.09 2wh8 h ARG 60 N 0.83 0.91 -4.46 0.00 9.65 -1.30 -3.38 114.38 116.63 2wh8 h ARG 60 Ca 0.28 -0.42 -0.71 0.00 -1.10 0.00 0.00 59.98 58.04 2wh8 h ARG 60 Cb 0.05 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.54 2wh8 h ARG 60 CO -0.12 1.07 2.70 -3.47 2.80 0.00 0.00 179.97 182.95 2wh8 n ASP 61 N -4.09 4.34 0.29 -3.80 -0.08 -0.16 -4.72 116.55 108.32 2wh8 n ASP 61 Ca -0.01 -2.90 0.16 0.00 -1.51 0.00 0.00 54.79 50.54 2wh8 n ASP 61 Cb 0.48 -1.66 0.86 0.00 2.34 0.00 0.00 41.12 43.14 2wh8 n ASP 61 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 2wh8 h HIS 62 N 6.43 0.00 -0.67 -0.67 2.07 -1.75 0.65 115.15 121.21 2wh8 h HIS 62 Ca 0.51 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.95 2wh8 h HIS 62 Cb 0.71 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.66 2wh8 h HIS 62 CO 1.41 0.06 0.09 1.96 -3.07 0.00 0.00 177.93 178.39 2wh8 h GLN 63 N 0.00 1.11 0.09 5.12 1.08 -1.94 -3.22 115.11 117.35 2wh8 h GLN 63 Ca -0.00 -0.31 -0.35 0.00 -1.45 0.00 0.00 58.65 56.55 2wh8 h GLN 63 Cb 0.23 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2wh8 h GLN 63 CO 0.01 1.02 -1.94 2.41 -0.95 0.00 0.00 178.83 179.38 2wh8 n THR 64 N -4.21 1.74 -3.71 -0.54 -1.04 -1.05 -4.62 114.28 100.85 2wh8 n THR 64 Ca 0.04 -0.69 -0.37 0.00 -2.04 0.00 0.00 64.05 60.99 2wh8 n THR 64 Cb 0.30 -1.56 -0.09 0.00 -1.82 0.00 0.00 70.33 67.16 2wh8 n THR 64 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2wh8 s PHE 65 N -2.57 3.44 0.34 -1.42 0.08 0.20 -1.10 117.98 116.95 2wh8 s PHE 65 Ca -0.18 -2.64 -0.23 0.00 0.12 0.00 0.00 56.93 54.00 2wh8 s PHE 65 Cb 0.07 -3.23 -0.10 0.00 -0.57 0.00 0.00 43.02 39.19 2wh8 s PHE 65 CO 0.78 -0.86 0.90 0.45 -0.10 0.00 0.00 175.22 176.39 2wh8 s SER 66 N 0.91 7.15 0.00 1.36 0.15 -0.01 -4.34 113.70 118.92 2wh8 s SER 66 Ca 0.16 1.69 0.26 0.00 0.70 0.00 0.00 55.95 58.76 2wh8 s SER 66 Cb -0.20 -2.53 0.61 0.00 -1.71 0.00 0.00 66.02 62.19 2wh8 s SER 66 CO -0.04 -0.15 1.48 -1.20 1.20 0.00 0.00 173.24 174.54 2wh8 n SER 67 N 0.18 1.52 0.00 5.45 7.64 -1.26 -0.30 113.62 126.85 2wh8 n SER 67 Ca 0.03 -1.26 0.13 0.00 1.01 0.00 0.00 58.87 58.78 2wh8 n SER 67 Cb 0.52 0.16 0.58 0.00 -1.01 0.00 0.00 64.21 64.46 2wh8 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wh8 n ALA 68 N -0.15 2.24 0.77 -0.43 0.00 -1.26 -2.65 120.51 119.04 2wh8 n ALA 68 Ca 0.13 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.57 2wh8 n ALA 68 Cb 0.40 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.46 2wh8 n ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wh8 n GLN 69 N -1.49 1.58 0.00 0.00 1.13 -1.26 -4.94 117.38 112.40 2wh8 n GLN 69 Ca 0.07 -1.30 0.00 0.00 -1.94 0.00 0.00 57.00 53.83 2wh8 n GLN 69 Cb 0.31 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2wh8 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wh8 n GLY 70 N 1.11 1.60 0.00 1.08 0.00 -1.08 -3.95 105.19 103.94 2wh8 n GLY 70 Ca 0.09 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2wh8 n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh8 n LEU 71 N 0.00 1.12 0.00 0.99 4.77 -1.26 -4.57 117.00 118.05 2wh8 n LEU 71 Ca 0.00 -1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 54.63 2wh8 n LEU 71 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2wh8 n LEU 71 CO 0.00 0.28 0.15 0.35 -1.33 0.00 0.00 177.39 176.84 2wh8 n THR 72 N -0.22 0.00 1.74 -5.08 -2.24 -1.26 -0.13 114.28 107.08 2wh8 n THR 72 Ca 0.00 -1.99 0.12 0.00 -2.27 0.00 0.00 64.05 59.91 2wh8 n THR 72 Cb 0.25 -0.20 0.59 0.00 -2.10 0.00 0.00 70.33 68.86 2wh8 n THR 72 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2wh8 n VAL 73 N -1.86 0.05 -2.98 2.28 0.24 -1.26 -4.66 118.33 110.14 2wh8 n VAL 73 Ca 0.03 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.34 61.78 2wh8 n VAL 73 Cb 0.58 -0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 2wh8 n VAL 73 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2wh8 s ASN 74 N -1.72 6.32 0.60 -1.34 0.01 -1.26 -4.97 114.94 112.58 2wh8 s ASN 74 Ca 0.34 -0.47 -0.20 0.00 -0.71 0.00 0.00 52.86 51.83 2wh8 s ASN 74 Cb 0.17 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 2wh8 s ASN 74 CO 0.27 -1.02 1.31 -0.31 -1.51 0.00 0.00 177.10 175.84 2wh8 s TYR 75 N 3.32 2.19 0.00 2.20 2.02 -1.26 -2.53 117.35 123.29 2wh8 s TYR 75 Ca 0.25 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 2wh8 s TYR 75 Cb -0.15 -3.72 0.00 0.00 -0.40 0.00 0.00 41.96 37.69 2wh8 s TYR 75 CO 0.18 -2.85 0.00 0.41 -1.57 0.00 0.00 175.55 171.71 2wh8 n GLY 76 N 0.79 1.55 0.40 0.71 0.00 -1.26 -4.95 105.19 102.43 2wh8 n GLY 76 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 2wh8 n GLY 76 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wh8 n GLU 77 N -2.00 -0.34 -0.03 1.61 2.13 -1.05 -0.11 120.64 120.85 2wh8 n GLU 77 Ca 0.00 1.51 -0.11 0.00 0.66 0.00 0.00 57.16 59.22 2wh8 n GLU 77 Cb 0.00 -2.23 -0.05 0.00 0.27 0.00 0.00 31.44 29.43 2wh8 n GLU 77 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2wh8 h LEU 78 N 0.00 0.19 -0.04 4.31 5.85 -1.89 -1.82 115.31 121.91 2wh8 h LEU 78 Ca 0.24 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2wh8 h LEU 78 Cb 0.49 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2wh8 h LEU 78 CO -0.96 0.25 0.00 -0.08 -0.34 0.00 0.00 178.44 177.32 2wh8 h GLU 79 N 0.11 0.07 -0.94 1.25 4.57 -1.84 0.15 114.58 117.96 2wh8 h GLU 79 Ca 0.05 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.30 2wh8 h GLU 79 Cb 0.11 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.63 2wh8 h GLU 79 CO -0.01 0.35 0.60 0.52 -1.18 0.00 0.00 179.01 179.30 2wh8 h MET 80 N -0.22 0.94 0.00 1.92 2.86 -0.22 -2.14 114.93 118.07 2wh8 h MET 80 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wh8 h MET 80 Cb 0.32 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2wh8 h MET 80 CO 0.00 0.62 -0.90 0.44 1.06 0.00 0.00 176.91 178.13 2wh8 n ILE 81 N -4.54 0.09 -0.65 -1.22 -5.35 -0.71 -5.00 119.36 101.98 2wh8 n ILE 81 Ca 0.16 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 2wh8 n ILE 81 Cb 0.29 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 2wh8 n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh8 n GLY 82 N 1.43 1.05 0.34 3.28 0.00 -0.18 -5.02 105.19 106.09 2wh8 n GLY 82 Ca 0.03 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.91 2wh8 n GLY 82 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh8 n LEU 83 N -0.12 2.58 0.17 0.99 7.94 0.36 -4.74 117.00 124.19 2wh8 n LEU 83 Ca 0.00 -2.22 -0.14 0.00 -1.11 0.00 0.00 56.01 52.53 2wh8 n LEU 83 Cb 0.13 -0.19 -0.08 0.00 0.53 0.00 0.00 43.42 43.81 2wh8 n LEU 83 CO 0.00 0.63 0.76 -0.74 -1.11 0.00 0.00 177.39 176.93 2wh8 h HIS 84 N 0.95 -0.35 -0.15 1.96 -0.00 -1.91 -2.98 115.15 112.67 2wh8 h HIS 84 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.21 2wh8 h HIS 84 Cb 0.74 0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.25 2wh8 h HIS 84 CO 0.14 -0.19 -0.54 -0.44 -0.00 0.00 0.00 177.93 176.90 2wh8 h ASP 85 N -0.41 0.47 -2.26 3.26 5.19 -1.96 -3.33 116.42 117.38 2wh8 h ASP 85 Ca -0.04 -0.25 -0.57 0.00 -0.62 0.00 0.00 57.03 55.56 2wh8 h ASP 85 Cb 0.31 -0.13 -0.37 0.00 0.18 0.00 0.00 39.33 39.31 2wh8 h ASP 85 CO 0.06 0.92 -0.98 0.41 -3.12 0.00 0.00 179.24 176.53 2wh8 n THR 86 N -3.95 -1.11 -1.94 0.35 -1.04 -1.25 -5.13 114.28 100.20 2wh8 n THR 86 Ca -0.03 -3.42 -0.32 0.00 -2.04 0.00 0.00 64.05 58.25 2wh8 n THR 86 Cb 0.59 -1.60 0.01 0.00 -1.82 0.00 0.00 70.33 67.51 2wh8 n THR 86 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wh8 s PRO 87 N -0.08 3.36 0.84 -2.82 0.04 -1.12 -4.94 135.00 130.27 2wh8 s PRO 87 Ca 0.33 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 2wh8 s PRO 87 Cb 0.06 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.65 2wh8 s PRO 87 CO -0.18 -0.77 1.10 -1.25 0.04 0.00 0.00 177.00 175.94 2wh8 s PRO 88 N -4.52 1.66 0.48 0.56 0.04 -1.26 -4.90 135.00 127.05 2wh8 s PRO 88 Ca 0.60 1.19 0.20 0.00 0.04 0.00 0.00 61.00 63.02 2wh8 s PRO 88 Cb -0.14 -1.83 1.21 0.00 0.04 0.00 0.00 34.50 33.79 2wh8 s PRO 88 CO 0.44 -2.07 2.04 0.00 0.04 0.00 0.00 177.00 177.45 2wh8 h MET 89 N -1.44 0.00 0.00 4.56 -0.00 -1.95 -0.25 114.93 115.86 2wh8 h MET 89 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 2wh8 h MET 89 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 2wh8 h MET 89 CO 0.49 0.15 0.00 1.33 -0.00 0.00 0.00 176.91 178.88 2wh8 n VAL 90 N -4.07 0.95 -1.43 -0.10 0.24 -1.26 -2.38 118.33 110.28 2wh8 n VAL 90 Ca -0.02 0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 2wh8 n VAL 90 Cb 0.23 -1.19 0.20 0.00 -1.47 0.00 0.00 33.84 31.61 2wh8 n VAL 90 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2wh8 n MET 91 N -2.02 1.83 -4.88 7.34 2.00 -0.11 -4.84 117.12 116.44 2wh8 n MET 91 Ca 0.02 -3.15 -0.30 0.00 0.00 0.00 0.00 57.70 54.26 2wh8 n MET 91 Cb 0.18 -1.75 -0.14 0.00 0.00 0.00 0.00 33.22 31.51 2wh8 n MET 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2wh8 s GLN 92 N -3.19 1.93 0.27 0.03 -0.21 -1.00 -4.16 119.66 113.33 2wh8 s GLN 92 Ca 0.42 -1.04 0.06 0.00 0.02 0.00 0.00 55.36 54.82 2wh8 s GLN 92 Cb 0.38 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 32.31 2wh8 s GLN 92 CO -0.01 0.53 0.28 -0.51 -2.12 0.00 0.00 175.29 173.46 2wh8 s ASP 93 N -1.21 5.76 0.47 5.90 1.01 -1.26 -4.69 116.67 122.64 2wh8 s ASP 93 Ca 0.12 -0.19 -0.23 0.00 0.71 0.00 0.00 52.55 52.96 2wh8 s ASP 93 Cb -0.10 -1.45 -0.07 0.00 1.01 0.00 0.00 42.92 42.31 2wh8 s ASP 93 CO 0.03 -0.14 1.18 -2.84 0.21 0.00 0.00 175.17 173.61 2wh8 s PRO 94 N -3.94 3.71 0.35 8.23 0.02 -1.26 -1.46 135.00 140.65 2wh8 s PRO 94 Ca 0.36 1.81 0.22 0.00 0.02 0.00 0.00 61.00 63.40 2wh8 s PRO 94 Cb -0.08 -2.39 0.21 0.00 0.02 0.00 0.00 34.50 32.26 2wh8 s PRO 94 CO 0.27 -0.60 1.42 -1.00 -0.33 0.00 0.00 177.00 176.76 2wh8 h PRO 95 N 2.00 0.00 -0.58 5.54 0.13 -2.02 -3.46 132.00 133.61 2wh8 h PRO 95 Ca -0.49 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 2wh8 h PRO 95 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2wh8 h PRO 95 CO 0.60 0.05 0.27 0.28 -0.23 0.00 0.00 178.00 178.97 2wh8 h VAL 96 N 0.00 0.89 0.00 1.56 2.07 -1.84 -1.79 116.25 117.14 2wh8 h VAL 96 Ca -0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2wh8 h VAL 96 Cb 1.05 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2wh8 h VAL 96 CO 0.01 0.09 -0.11 -0.74 0.02 0.00 0.00 177.57 176.84 2wh8 h HIS 97 N 0.51 0.00 -0.05 1.57 -0.00 -1.53 -3.26 115.15 112.39 2wh8 h HIS 97 Ca 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2wh8 h HIS 97 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2wh8 h HIS 97 CO -0.12 0.11 0.03 1.15 -0.00 0.00 0.00 177.93 179.09 2wh8 h THR 98 N 0.00 1.07 -0.27 6.26 2.02 -1.58 -0.88 112.91 119.53 2wh8 h THR 98 Ca -0.00 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 2wh8 h THR 98 Cb 0.21 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2wh8 h THR 98 CO 0.01 0.06 -0.29 -0.08 0.37 0.00 0.00 175.52 175.59 2wh8 h GLU 99 N -0.01 0.67 0.17 6.66 4.57 -1.66 -0.74 114.58 124.24 2wh8 h GLU 99 Ca 0.02 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.82 2wh8 h GLU 99 Cb 0.07 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2wh8 h GLU 99 CO -0.00 0.97 -0.08 0.35 -1.18 0.00 0.00 179.01 179.07 2wh8 h PHE 100 N 0.40 -0.21 -0.85 0.92 3.57 -1.68 -1.45 116.94 117.65 2wh8 h PHE 100 Ca 0.04 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.65 2wh8 h PHE 100 Cb 0.86 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 2wh8 h PHE 100 CO 0.07 -0.09 0.48 -0.09 -2.23 0.00 0.00 178.31 176.45 2wh8 h ARG 101 N -0.27 0.74 -0.77 1.11 2.43 -1.11 -0.32 114.38 116.19 2wh8 h ARG 101 Ca -0.02 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2wh8 h ARG 101 Cb 0.21 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2wh8 h ARG 101 CO 0.04 0.49 0.48 -0.22 -1.51 0.00 0.00 179.97 179.25 2wh8 h LYS 102 N 0.76 0.88 -0.05 0.20 3.64 -0.25 -0.67 116.57 121.08 2wh8 h LYS 102 Ca 0.43 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.71 2wh8 h LYS 102 Cb 0.46 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2wh8 h LYS 102 CO -0.28 0.58 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.28 2wh8 h LEU 103 N 0.91 0.21 -1.31 5.20 3.38 -0.29 -3.23 115.31 120.17 2wh8 h LEU 103 Ca 0.32 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 2wh8 h LEU 103 Cb 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2wh8 h LEU 103 CO -0.14 0.76 -0.32 1.62 0.09 0.00 0.00 178.44 180.45 2wh8 h VAL 104 N -0.33 1.01 0.00 1.22 3.04 -1.00 -2.80 116.25 117.39 2wh8 h VAL 104 Ca -0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 2wh8 h VAL 104 Cb 0.73 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 2wh8 h VAL 104 CO 0.03 0.31 0.00 0.77 -1.01 0.00 0.00 177.57 177.67 2wh8 h SER 105 N 0.00 0.00 0.29 3.17 4.64 -1.14 0.55 113.55 121.06 2wh8 h SER 105 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wh8 h SER 105 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2wh8 h SER 105 CO 0.04 0.00 -0.03 0.03 -0.87 0.00 0.00 176.83 176.00 2wh8 h ARG 106 N 0.00 0.00 -0.23 4.77 3.08 -1.60 -1.08 114.38 119.32 2wh8 h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh8 h ARG 106 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wh8 h ARG 106 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2wh8 n GLY 107 N -0.80 0.47 2.58 0.04 0.00 0.19 -4.53 105.19 103.14 2wh8 n GLY 107 Ca -0.02 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2wh8 n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wh8 n PHE 108 N 0.45 2.51 -4.58 1.61 3.72 -0.41 -4.51 117.46 116.24 2wh8 n PHE 108 Ca 0.15 -4.05 -0.27 0.00 -0.05 0.00 0.00 57.45 53.24 2wh8 n PHE 108 Cb 0.34 -0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 38.31 2wh8 n PHE 108 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wh8 s THR 109 N -1.65 1.66 0.26 4.37 -4.23 -1.26 -5.00 115.64 109.78 2wh8 s THR 109 Ca 0.33 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 2wh8 s THR 109 Cb 0.06 -2.85 0.23 0.00 1.34 0.00 0.00 72.50 71.29 2wh8 s THR 109 CO -0.11 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.14 2wh8 h PRO 110 N 1.82 0.80 -0.62 3.99 0.11 -1.98 -1.89 132.00 134.23 2wh8 h PRO 110 Ca -0.43 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.66 2wh8 h PRO 110 Cb 1.25 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2wh8 h PRO 110 CO 0.77 0.53 0.41 0.00 -0.21 0.00 0.00 178.00 179.50 2wh8 h ARG 111 N 0.83 0.75 -0.15 1.05 -0.00 -1.99 -1.00 114.38 113.86 2wh8 h ARG 111 Ca 0.43 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.73 2wh8 h ARG 111 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.21 2wh8 h ARG 111 CO -0.26 0.50 -0.49 1.96 0.00 0.00 0.00 179.97 181.68 2wh8 h GLN 112 N 0.77 0.41 -0.05 0.04 7.50 -1.67 -1.36 115.11 120.74 2wh8 h GLN 112 Ca 0.24 -0.23 -0.21 0.00 0.50 0.00 0.00 58.65 58.95 2wh8 h GLN 112 Cb 0.01 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2wh8 h GLN 112 CO -0.06 0.80 -0.83 -0.24 -1.50 0.00 0.00 178.83 177.00 2wh8 h VAL 113 N 0.32 1.37 -0.60 -0.54 3.04 -1.37 -3.31 116.25 115.17 2wh8 h VAL 113 Ca 0.02 -2.25 -0.03 0.00 -1.01 0.00 0.00 66.70 63.42 2wh8 h VAL 113 Cb 0.97 2.23 -0.03 0.00 -2.01 0.00 0.00 31.29 32.46 2wh8 h VAL 113 CO 0.08 0.68 0.24 -0.33 -1.01 0.00 0.00 177.57 177.23 2wh8 h GLU 114 N 0.29 0.89 0.00 4.17 5.08 -0.84 -3.06 114.58 121.11 2wh8 h GLU 114 Ca -0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2wh8 h GLU 114 Cb 1.44 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2wh8 h GLU 114 CO 0.15 0.76 -0.04 1.79 -1.00 0.00 0.00 179.01 180.67 2wh8 h THR 115 N 0.82 0.11 0.00 1.13 1.35 -1.36 -2.92 112.91 112.05 2wh8 h THR 115 Ca 0.20 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2wh8 h THR 115 Cb 0.20 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2wh8 h THR 115 CO -0.02 0.04 -1.32 0.55 -0.25 0.00 0.00 175.52 174.52 2wh8 n VAL 116 N -3.16 0.06 -0.24 6.82 3.14 -1.20 -4.57 118.33 119.17 2wh8 n VAL 116 Ca 0.00 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 2wh8 n VAL 116 Cb 0.30 0.43 0.12 0.00 -1.06 0.00 0.00 33.84 33.63 2wh8 n VAL 116 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2wh8 h GLU 117 N 0.00 0.65 -0.00 1.45 4.81 -1.41 -0.40 114.58 119.67 2wh8 h GLU 117 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2wh8 h GLU 117 Cb 0.73 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2wh8 h GLU 117 CO 0.00 0.43 -0.21 -1.35 -0.73 0.00 0.00 179.01 177.15 2wh8 h PRO 118 N 0.67 0.00 -0.27 0.92 0.11 -1.80 0.39 132.00 132.01 2wh8 h PRO 118 Ca 0.33 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.37 2wh8 h PRO 118 Cb 0.28 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2wh8 h PRO 118 CO -0.22 0.21 -0.11 1.15 -0.21 0.00 0.00 178.00 178.82 2wh8 h THR 119 N 0.00 1.29 -0.30 -1.15 2.02 -1.42 -1.89 112.91 111.47 2wh8 h THR 119 Ca -0.00 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.03 2wh8 h THR 119 Cb 0.37 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2wh8 h THR 119 CO 0.03 0.37 0.10 0.58 0.37 0.00 0.00 175.52 176.97 2wh8 h VAL 120 N 0.30 0.91 -0.78 3.16 2.07 -0.76 -2.62 116.25 118.52 2wh8 h VAL 120 Ca 0.06 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2wh8 h VAL 120 Cb 0.61 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2wh8 h VAL 120 CO 0.04 0.04 0.30 -0.09 0.02 0.00 0.00 177.57 177.88 2wh8 h ARG 121 N 0.22 1.18 -0.61 1.57 2.43 -0.84 -1.60 114.38 116.74 2wh8 h ARG 121 Ca 0.13 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2wh8 h ARG 121 Cb 0.11 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2wh8 h ARG 121 CO -0.14 0.96 0.28 -0.22 -1.51 0.00 0.00 179.97 179.34 2wh8 h LYS 122 N 1.14 0.88 -0.25 0.20 3.64 -1.22 0.44 116.57 121.40 2wh8 h LYS 122 Ca 0.26 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2wh8 h LYS 122 Cb 0.23 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2wh8 h LYS 122 CO -0.02 0.72 -0.08 0.35 -2.27 0.00 0.00 179.45 178.15 2wh8 h PHE 123 N 0.83 0.56 -0.21 1.91 3.57 -1.23 -1.16 116.94 121.22 2wh8 h PHE 123 Ca 0.21 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2wh8 h PHE 123 Cb 0.13 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2wh8 h PHE 123 CO 0.00 0.73 -0.03 0.28 -2.23 0.00 0.00 178.31 177.06 2wh8 h VAL 124 N 0.24 0.82 -0.49 1.41 2.07 -0.99 -1.39 116.25 117.92 2wh8 h VAL 124 Ca 0.06 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.63 2wh8 h VAL 124 Cb 0.55 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2wh8 h VAL 124 CO 0.03 0.01 0.21 0.58 0.02 0.00 0.00 177.57 178.41 2wh8 h VAL 125 N 0.03 0.89 -0.22 2.57 2.07 -0.83 0.15 116.25 120.91 2wh8 h VAL 125 Ca 0.10 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2wh8 h VAL 125 Cb 0.14 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2wh8 h VAL 125 CO -0.19 0.08 0.13 -0.33 0.02 0.00 0.00 177.57 177.27 2wh8 h GLU 126 N 0.42 0.30 -0.03 1.57 5.08 -0.87 -0.20 114.58 120.84 2wh8 h GLU 126 Ca 0.23 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 2wh8 h GLU 126 Cb 0.19 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wh8 h GLU 126 CO -0.20 0.26 -0.83 0.00 -1.00 0.00 0.00 179.01 177.25 2wh8 h ARG 127 N 0.26 0.35 -0.30 2.33 2.47 -0.91 -1.96 114.38 116.61 2wh8 h ARG 127 Ca 0.08 -0.33 -0.12 0.00 -1.26 0.00 0.00 59.98 58.35 2wh8 h ARG 127 Cb 0.04 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2wh8 h ARG 127 CO -0.01 1.00 -0.31 -0.07 0.56 0.00 0.00 179.97 181.13 2wh8 h LEU 128 N 0.21 0.67 -0.87 3.04 3.38 -0.55 -0.56 115.31 120.62 2wh8 h LEU 128 Ca -0.05 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 2wh8 h LEU 128 Cb 1.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2wh8 h LEU 128 CO 0.14 0.94 -0.52 -0.33 0.09 0.00 0.00 178.44 178.76 2wh8 h GLU 129 N 0.55 0.12 -0.20 1.13 4.39 -0.93 -0.19 114.58 119.44 2wh8 h GLU 129 Ca 0.06 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2wh8 h GLU 129 Cb 0.81 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2wh8 h GLU 129 CO 0.07 0.61 -0.11 0.87 -1.16 0.00 0.00 179.01 179.29 2wh8 h LYS 130 N 0.10 0.43 -0.18 2.33 6.56 -0.95 -0.65 116.57 124.21 2wh8 h LYS 130 Ca 0.00 -0.19 0.01 0.00 -1.06 0.00 0.00 60.65 59.41 2wh8 h LYS 130 Cb 0.95 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.58 2wh8 h LYS 130 CO 0.07 0.73 0.09 -0.07 -2.06 0.00 0.00 179.45 178.21 2wh8 h LEU 131 N 0.12 0.13 -0.44 2.94 3.38 -0.95 -2.01 115.31 118.48 2wh8 h LEU 131 Ca 0.04 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2wh8 h LEU 131 Cb 0.60 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 2wh8 h LEU 131 CO 0.03 0.10 0.09 0.03 0.09 0.00 0.00 178.44 178.78 2wh8 h ARG 132 N 0.19 0.22 -0.75 1.13 3.08 -0.90 0.88 114.38 118.22 2wh8 h ARG 132 Ca 0.07 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 2wh8 h ARG 132 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2wh8 h ARG 132 CO -0.05 0.15 0.26 0.00 -1.07 0.00 0.00 179.97 179.25 2wh8 h ALA 133 N 1.33 0.98 -0.01 0.04 0.00 -0.80 -0.49 119.26 120.31 2wh8 h ALA 133 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 133 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wh8 h ALA 133 CO -0.28 0.64 0.00 0.09 0.00 0.00 0.00 179.25 179.70 2wh8 n ASN 134 N -4.28 0.11 -0.58 0.00 3.02 -0.78 -4.89 115.26 107.85 2wh8 n ASN 134 Ca 0.06 -1.27 -0.08 0.00 -0.03 0.00 0.00 54.58 53.27 2wh8 n ASN 134 Cb 0.21 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 2wh8 n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wh8 n GLY 135 N 0.90 0.93 0.00 7.41 0.00 -0.19 -4.85 105.19 109.38 2wh8 n GLY 135 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2wh8 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh8 n GLY 136 N -1.51 0.63 0.00 -0.02 0.00 0.29 -2.36 105.19 102.22 2wh8 n GLY 136 Ca -0.08 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.80 2wh8 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh8 n GLY 137 N 0.00 0.01 3.49 -0.02 0.00 -0.09 -4.74 105.19 103.84 2wh8 n GLY 137 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 2wh8 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh8 s ASP 138 N -4.00 6.23 0.46 1.61 -1.08 -1.26 -0.65 116.67 117.97 2wh8 s ASP 138 Ca 0.00 -0.62 0.30 0.00 -0.52 0.00 0.00 52.55 51.71 2wh8 s ASP 138 Cb 0.00 -2.25 1.13 0.00 -1.46 0.00 0.00 42.92 40.34 2wh8 s ASP 138 CO 0.00 -0.65 1.87 -0.29 0.52 0.00 0.00 175.17 176.62 2wh8 h ILE 139 N 5.77 0.00 0.09 4.11 2.10 -1.80 0.22 117.51 128.00 2wh8 h ILE 139 Ca -0.26 -0.51 -0.00 0.00 1.08 0.00 0.00 64.86 65.17 2wh8 h ILE 139 Cb 1.11 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.29 2wh8 h ILE 139 CO 0.83 0.00 -0.05 0.58 -1.08 0.00 0.00 178.15 178.44 2wh8 h VAL 140 N 0.00 0.87 -0.99 2.19 2.07 -1.90 -0.01 116.25 118.48 2wh8 h VAL 140 Ca 0.00 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.16 2wh8 h VAL 140 Cb 0.55 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 2wh8 h VAL 140 CO 0.00 0.26 0.65 0.71 0.02 0.00 0.00 177.57 179.22 2wh8 h THR 141 N -0.93 1.23 0.00 2.57 1.35 -1.71 0.54 112.91 115.95 2wh8 h THR 141 Ca -0.01 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2wh8 h THR 141 Cb 0.52 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.74 2wh8 h THR 141 CO 0.02 0.24 -0.43 -0.62 -0.25 0.00 0.00 175.52 174.48 2wh8 n GLU 142 N -4.40 0.12 0.14 4.72 -0.58 0.03 -4.58 120.64 116.08 2wh8 n GLU 142 Ca 0.12 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2wh8 n GLU 142 Cb 0.04 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 2wh8 n GLU 142 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2wh8 n LEU 143 N -1.76 -1.59 0.16 -4.62 7.94 -0.90 -4.86 117.00 111.38 2wh8 n LEU 143 Ca 0.05 0.50 0.01 0.00 -1.11 0.00 0.00 56.01 55.47 2wh8 n LEU 143 Cb 0.38 1.63 0.26 0.00 0.53 0.00 0.00 43.42 46.21 2wh8 n LEU 143 CO 0.34 -0.32 0.59 -0.26 -1.11 0.00 0.00 177.39 176.63 2wh8 h PHE 144 N 0.00 0.00 0.56 1.96 0.04 -0.70 -1.51 116.94 117.29 2wh8 h PHE 144 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2wh8 h PHE 144 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 2wh8 h PHE 144 CO 0.00 0.50 -0.27 -0.22 -0.60 0.00 0.00 178.31 177.73 2wh8 h LYS 145 N 0.00 -0.73 -0.01 1.51 3.64 -1.14 -3.38 116.57 116.46 2wh8 h LYS 145 Ca -0.01 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2wh8 h LYS 145 Cb 0.95 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2wh8 h LYS 145 CO 0.07 -0.48 -0.48 -1.00 -2.27 0.00 0.00 179.45 175.28 2wh8 h PRO 146 N -1.20 0.03 -0.02 1.90 0.13 -1.76 -3.36 132.00 127.73 2wh8 h PRO 146 Ca -0.08 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2wh8 h PRO 146 Cb 0.58 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 2wh8 h PRO 146 CO 0.13 0.51 -0.45 1.25 -0.23 0.00 0.00 178.00 179.20 2wh8 h LEU 147 N 0.03 -1.39 -2.16 1.56 5.85 -1.45 -2.49 115.31 115.26 2wh8 h LEU 147 Ca -0.00 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2wh8 h LEU 147 Cb 0.87 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2wh8 h LEU 147 CO 0.06 -0.47 0.21 1.55 -0.34 0.00 0.00 178.44 179.45 2wh8 h PRO 148 N -0.59 0.00 -0.37 5.25 0.13 -1.77 -2.21 132.00 132.44 2wh8 h PRO 148 Ca 0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 2wh8 h PRO 148 Cb 0.67 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 2wh8 h PRO 148 CO -0.34 0.00 0.07 1.03 -0.23 0.00 0.00 178.00 178.53 2wh8 h SER 149 N 0.00 0.50 -0.08 1.44 0.87 -1.66 -1.54 113.55 113.08 2wh8 h SER 149 Ca 0.10 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 2wh8 h SER 149 Cb 0.52 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2wh8 h SER 149 CO -0.00 0.53 -0.40 0.24 -0.53 0.00 0.00 176.83 176.66 2wh8 h MET 150 N 0.53 0.60 -0.15 2.24 2.86 -1.50 0.35 114.93 119.87 2wh8 h MET 150 Ca 0.12 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 2wh8 h MET 150 Cb 0.24 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2wh8 h MET 150 CO 0.00 0.90 -0.16 0.28 1.06 0.00 0.00 176.91 179.00 2wh8 h VAL 151 N 0.50 1.34 -0.76 -2.22 2.07 -1.49 -0.93 116.25 114.76 2wh8 h VAL 151 Ca 0.04 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.31 2wh8 h VAL 151 Cb 0.91 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 2wh8 h VAL 151 CO 0.08 0.39 0.44 0.58 0.02 0.00 0.00 177.57 179.08 2wh8 h VAL 152 N 0.01 0.97 -0.42 2.57 2.07 -1.14 -1.21 116.25 119.09 2wh8 h VAL 152 Ca 0.02 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.32 2wh8 h VAL 152 Cb 0.69 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2wh8 h VAL 152 CO 0.04 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.95 2wh8 h ALA 153 N 1.39 0.52 -0.21 1.67 0.00 -0.66 -0.75 119.26 121.22 2wh8 h ALA 153 Ca 0.35 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.34 2wh8 h ALA 153 Cb 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2wh8 h ALA 153 CO -0.20 -0.20 -0.16 1.25 0.00 0.00 0.00 179.25 179.95 2wh8 h HIS 154 N 0.37 -0.40 0.00 0.00 6.17 -0.68 -1.85 115.15 118.75 2wh8 h HIS 154 Ca 0.19 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.30 2wh8 h HIS 154 Cb 0.14 0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.28 2wh8 h HIS 154 CO -0.13 -0.23 0.00 1.88 0.71 0.00 0.00 177.93 180.16 2wh8 h TYR 155 N -0.16 0.00 -0.12 5.26 -1.99 -0.37 -1.48 116.97 118.11 2wh8 h TYR 155 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2wh8 h TYR 155 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 2wh8 h TYR 155 CO -0.31 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.13 2wh8 n LEU 156 N -3.07 1.88 -2.77 3.88 4.77 -0.37 -3.05 117.00 118.27 2wh8 n LEU 156 Ca -0.00 -0.72 -0.21 0.00 -0.03 0.00 0.00 56.01 55.04 2wh8 n LEU 156 Cb 0.24 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2wh8 n LEU 156 CO 0.25 0.36 -0.12 0.61 -1.33 0.00 0.00 177.39 177.17 2wh8 n GLY 157 N 1.20 -0.51 3.69 -0.72 0.00 -0.56 -4.66 105.19 103.63 2wh8 n GLY 157 Ca 0.17 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2wh8 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh8 s VAL 158 N -3.07 4.36 0.31 1.61 1.01 -0.76 -5.00 120.40 118.86 2wh8 s VAL 158 Ca 0.17 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.54 2wh8 s VAL 158 Cb -0.08 -4.08 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 2wh8 s VAL 158 CO 0.21 0.03 1.34 -2.65 0.00 0.00 0.00 175.10 174.03 2wh8 n PRO 159 N 4.90 2.14 -0.04 2.72 -0.02 -1.26 -4.64 135.00 138.80 2wh8 n PRO 159 Ca 0.10 0.75 0.19 0.00 -2.02 0.00 0.00 63.50 62.52 2wh8 n PRO 159 Cb 0.47 -2.37 0.64 0.00 -0.02 0.00 0.00 33.50 32.22 2wh8 n PRO 159 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wh8 h GLU 160 N 3.17 0.11 0.00 -0.52 5.08 -1.98 0.54 114.58 120.98 2wh8 h GLU 160 Ca -0.46 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2wh8 h GLU 160 Cb 1.28 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2wh8 h GLU 160 CO 0.67 0.07 -0.05 1.05 -1.00 0.00 0.00 179.01 179.75 2wh8 h GLU 161 N 0.11 0.00 -0.39 2.33 4.11 -2.04 -2.25 114.58 116.45 2wh8 h GLU 161 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2wh8 h GLU 161 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2wh8 h GLU 161 CO -0.03 0.05 0.00 -0.25 0.07 0.00 0.00 179.01 178.85 2wh8 n ASP 162 N -3.39 2.88 -0.03 3.06 8.00 0.18 -4.58 116.55 122.67 2wh8 n ASP 162 Ca -0.02 -1.92 -0.08 0.00 0.71 0.00 0.00 54.79 53.48 2wh8 n ASP 162 Cb 0.19 -0.25 0.08 0.00 -0.02 0.00 0.00 41.12 41.12 2wh8 n ASP 162 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2wh8 h TRP 163 N 3.55 0.75 -0.39 1.24 4.06 -1.48 -0.47 115.95 123.22 2wh8 h TRP 163 Ca 0.00 -0.22 -0.08 0.00 2.06 0.00 0.00 58.89 60.66 2wh8 h TRP 163 Cb 0.79 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 2wh8 h TRP 163 CO 0.25 0.93 -0.05 1.15 -3.56 0.00 0.00 178.44 177.16 2wh8 h THR 164 N 0.52 1.27 -0.16 1.49 2.02 -1.80 0.22 112.91 116.46 2wh8 h THR 164 Ca 0.04 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.13 2wh8 h THR 164 Cb 0.92 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2wh8 h THR 164 CO 0.08 0.37 0.09 -0.61 0.37 0.00 0.00 175.52 175.82 2wh8 h GLN 165 N 0.54 0.18 -0.74 6.66 4.15 -1.85 -1.15 115.11 122.89 2wh8 h GLN 165 Ca 0.10 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.55 2wh8 h GLN 165 Cb 0.55 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.15 2wh8 h GLN 165 CO 0.03 0.12 0.46 0.35 -1.93 0.00 0.00 178.83 177.86 2wh8 h PHE 166 N 0.19 0.86 -0.47 3.99 3.57 -0.76 -2.16 116.94 122.16 2wh8 h PHE 166 Ca 0.07 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2wh8 h PHE 166 Cb 0.00 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 2wh8 h PHE 166 CO -0.09 0.48 -0.03 0.22 -2.23 0.00 0.00 178.31 176.67 2wh8 h ASP 167 N 0.89 0.77 -0.35 0.41 3.58 -0.35 -1.11 116.42 120.26 2wh8 h ASP 167 Ca 0.30 -0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.60 2wh8 h ASP 167 Cb 0.05 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 2wh8 h ASP 167 CO -0.12 0.86 0.10 1.23 -2.88 0.00 0.00 179.24 178.42 2wh8 h GLY 168 N 0.98 0.43 0.95 -0.78 0.00 -0.61 -0.29 103.07 103.74 2wh8 h GLY 168 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2wh8 h GLY 168 CO 0.02 0.00 0.17 1.49 0.00 0.00 0.00 176.54 178.23 2wh8 h TRP 169 N 0.23 0.32 -0.32 5.60 6.55 -1.20 -2.90 115.95 124.23 2wh8 h TRP 169 Ca 0.16 0.01 0.07 0.00 0.95 0.00 0.00 58.89 60.08 2wh8 h TRP 169 Cb 0.16 -0.10 -0.07 0.00 -0.86 0.00 0.00 29.16 28.29 2wh8 h TRP 169 CO -0.16 0.19 -0.15 1.15 -1.05 0.00 0.00 178.44 178.42 2wh8 h THR 170 N 0.35 0.54 -0.60 1.49 2.02 -0.86 -2.12 112.91 113.74 2wh8 h THR 170 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2wh8 h THR 170 Cb -0.01 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2wh8 h THR 170 CO -0.05 0.00 0.37 1.56 0.37 0.00 0.00 175.52 177.77 2wh8 h GLN 171 N -0.09 0.80 -0.25 6.66 1.08 -0.93 0.09 115.11 122.46 2wh8 h GLN 171 Ca 0.17 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 2wh8 h GLN 171 Cb 0.34 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2wh8 h GLN 171 CO -0.39 0.55 -0.14 0.00 -0.95 0.00 0.00 178.83 177.90 2wh8 h ALA 172 N 1.60 0.36 -0.24 3.87 0.00 -1.24 -2.39 119.26 121.22 2wh8 h ALA 172 Ca 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wh8 h ALA 172 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wh8 h ALA 172 CO -0.04 0.25 0.13 0.82 0.00 0.00 0.00 179.25 180.41 2wh8 h ILE 173 N 0.27 1.11 -0.88 0.00 2.04 -0.95 -1.77 117.51 117.33 2wh8 h ILE 173 Ca 0.05 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2wh8 h ILE 173 Cb 0.66 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2wh8 h ILE 173 CO 0.04 0.11 0.48 0.58 0.00 0.00 0.00 178.15 179.36 2wh8 h VAL 174 N 0.28 1.25 -0.26 1.67 2.07 -0.94 0.17 116.25 120.50 2wh8 h VAL 174 Ca 0.08 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 2wh8 h VAL 174 Cb 0.06 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2wh8 h VAL 174 CO -0.01 0.28 -0.12 0.00 0.02 0.00 0.00 177.57 177.73 2wh8 h ALA 175 N 1.26 0.37 -0.80 1.67 0.00 -1.32 -3.02 119.26 117.42 2wh8 h ALA 175 Ca 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 175 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2wh8 h ALA 175 CO -0.05 0.24 0.51 0.00 0.00 0.00 0.00 179.25 179.95 2wh8 h ALA 176 N 0.74 1.02 0.00 0.00 0.00 -0.98 -2.02 119.26 118.02 2wh8 h ALA 176 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wh8 h ALA 176 Cb 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wh8 h ALA 176 CO 0.04 0.46 0.00 0.27 0.00 0.00 0.00 179.25 180.01 2wh8 n ASN 177 N -4.50 0.00 -0.16 0.00 2.04 0.02 -4.95 115.26 107.70 2wh8 n ASN 177 Ca 0.08 -1.30 0.25 0.00 -0.44 0.00 0.00 54.58 53.17 2wh8 n ASN 177 Cb 0.03 0.00 0.67 0.00 -2.53 0.00 0.00 39.78 37.95 2wh8 n ASN 177 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2wh8 h ALA 178 N 2.99 2.63 0.00 -2.53 0.00 -1.24 -3.51 119.26 117.60 2wh8 h ALA 178 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wh8 h ALA 178 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wh8 h ALA 178 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.79 2wh8 n GLY 185 N -1.65 2.10 2.50 0.00 0.00 -1.26 -3.72 105.19 103.15 2wh8 n GLY 185 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2wh8 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 n ALA 186 N 0.00 2.59 -0.20 4.61 0.00 -1.26 -4.76 120.51 121.49 2wh8 n ALA 186 Ca 0.00 -2.48 -0.06 0.00 0.00 0.00 0.00 53.44 50.90 2wh8 n ALA 186 Cb 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 18.66 2wh8 n ALA 186 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh8 h LEU 187 N 2.08 0.62 -0.47 0.00 4.07 -1.99 0.78 115.31 120.42 2wh8 h LEU 187 Ca -0.19 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.72 2wh8 h LEU 187 Cb 1.41 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 2wh8 h LEU 187 CO 0.12 0.44 0.15 0.44 -1.08 0.00 0.00 178.44 178.52 2wh8 h ASP 188 N 0.74 0.68 -0.59 -0.43 3.32 -1.99 -0.68 116.42 117.48 2wh8 h ASP 188 Ca 0.22 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2wh8 h ASP 188 Cb -0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2wh8 h ASP 188 CO -0.07 0.70 -0.02 0.00 -1.72 0.00 0.00 179.24 178.14 2wh8 h ALA 189 N 1.00 0.84 -0.14 3.45 0.00 -1.53 0.11 119.26 123.00 2wh8 h ALA 189 Ca 0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wh8 h ALA 189 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wh8 h ALA 189 CO -0.01 0.67 0.08 0.28 0.00 0.00 0.00 179.25 180.27 2wh8 h VAL 190 N 0.97 1.09 -0.73 0.00 2.07 -0.82 -1.31 116.25 117.51 2wh8 h VAL 190 Ca 0.17 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2wh8 h VAL 190 Cb 0.58 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2wh8 h VAL 190 CO 0.03 0.08 0.32 1.23 0.02 0.00 0.00 177.57 179.25 2wh8 h GLY 191 N 0.13 1.15 0.98 2.17 0.00 -0.65 -0.67 103.07 106.18 2wh8 h GLY 191 Ca 0.05 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2wh8 h GLY 191 CO -0.01 0.57 0.21 1.76 0.00 0.00 0.00 176.54 179.08 2wh8 h SER 192 N 1.03 0.44 -0.53 0.19 0.02 -0.65 -0.07 113.55 113.97 2wh8 h SER 192 Ca 0.25 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2wh8 h SER 192 Cb 0.17 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2wh8 h SER 192 CO -0.02 0.37 0.18 -0.03 -1.14 0.00 0.00 176.83 176.18 2wh8 h MET 193 N 0.47 0.82 0.27 3.45 4.05 -0.97 0.19 114.93 123.21 2wh8 h MET 193 Ca 0.13 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2wh8 h MET 193 Cb 0.01 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2wh8 h MET 193 CO -0.02 0.75 -0.29 0.52 0.23 0.00 0.00 176.91 178.10 2wh8 h MET 194 N 0.73 -0.57 -0.45 0.39 2.86 -0.98 0.14 114.93 117.05 2wh8 h MET 194 Ca 0.17 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2wh8 h MET 194 Cb 0.26 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 2wh8 h MET 194 CO -0.01 -0.38 0.23 0.00 1.06 0.00 0.00 176.91 177.81 2wh8 h ALA 195 N 0.01 0.57 0.04 6.32 0.00 -0.73 -0.68 119.26 124.78 2wh8 h ALA 195 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 195 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wh8 h ALA 195 CO -0.07 -0.12 -0.02 -0.92 0.00 0.00 0.00 179.25 178.13 2wh8 h TYR 196 N 0.46 -0.05 -0.06 0.00 3.20 -0.41 -2.65 116.97 117.46 2wh8 h TYR 196 Ca 0.19 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 2wh8 h TYR 196 Cb 0.09 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2wh8 h TYR 196 CO -0.10 0.18 -0.48 0.74 -1.64 0.00 0.00 178.16 176.86 2wh8 h PHE 197 N -0.26 0.18 -0.75 -3.82 0.04 -0.57 -0.21 116.94 111.54 2wh8 h PHE 197 Ca -0.01 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.76 2wh8 h PHE 197 Cb 0.24 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.30 2wh8 h PHE 197 CO -0.00 0.60 0.46 1.15 -0.60 0.00 0.00 178.31 179.92 2wh8 h THR 198 N 0.12 1.03 -0.44 -1.55 2.02 -1.02 0.15 112.91 113.23 2wh8 h THR 198 Ca 0.00 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 2wh8 h THR 198 Cb 0.90 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2wh8 h THR 198 CO 0.07 0.16 0.06 1.23 0.37 0.00 0.00 175.52 177.40 2wh8 h GLY 199 N 0.85 0.80 1.27 2.16 0.00 -1.06 -2.57 103.07 104.52 2wh8 h GLY 199 Ca 0.32 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 2wh8 h GLY 199 CO -0.16 0.50 -0.31 -2.00 0.00 0.00 0.00 176.54 174.58 2wh8 h LEU 200 N 0.59 0.85 -0.56 3.11 5.85 -0.35 -1.43 115.31 123.37 2wh8 h LEU 200 Ca 0.13 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2wh8 h LEU 200 Cb 0.40 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2wh8 h LEU 200 CO 0.01 1.09 0.29 0.40 -0.34 0.00 0.00 178.44 179.89 2wh8 h ILE 201 N 0.69 0.96 -0.43 4.05 2.04 -0.74 -0.97 117.51 123.11 2wh8 h ILE 201 Ca 0.08 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.77 2wh8 h ILE 201 Cb 0.85 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2wh8 h ILE 201 CO 0.07 0.10 0.23 -0.08 0.00 0.00 0.00 178.15 178.47 2wh8 h GLU 202 N 0.56 0.44 -1.01 2.37 4.81 -1.05 -2.69 114.58 118.02 2wh8 h GLU 202 Ca 0.25 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2wh8 h GLU 202 Cb 0.14 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2wh8 h GLU 202 CO -0.16 0.29 0.67 -0.09 -0.73 0.00 0.00 179.01 178.99 2wh8 h ARG 203 N 0.46 1.33 0.00 1.92 2.43 -0.74 -2.34 114.38 117.43 2wh8 h ARG 203 Ca 0.18 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2wh8 h ARG 203 Cb 0.06 -0.30 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2wh8 h ARG 203 CO -0.11 0.88 0.00 0.54 -1.51 0.00 0.00 179.97 179.77 2wh8 n ARG 204 N -4.38 0.14 -0.37 0.20 5.12 -0.41 -1.13 116.66 115.82 2wh8 n ARG 204 Ca 0.12 0.41 -0.02 0.00 -1.93 0.00 0.00 57.85 56.43 2wh8 n ARG 204 Cb 0.01 -1.79 0.11 0.00 -1.16 0.00 0.00 32.46 29.63 2wh8 n ARG 204 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wh8 h ARG 205 N 0.00 1.30 0.00 5.56 3.08 -1.38 -3.23 114.38 119.72 2wh8 h ARG 205 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2wh8 h ARG 205 Cb 0.29 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wh8 h ARG 205 CO 0.00 0.86 -1.19 0.25 -1.07 0.00 0.00 179.97 178.82 2wh8 n THR 206 N -4.39 0.00 -3.35 2.04 -2.24 -0.84 -4.71 114.28 100.78 2wh8 n THR 206 Ca 0.12 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.38 2wh8 n THR 206 Cb 0.01 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 2wh8 n THR 206 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wh8 n GLU 207 N -1.69 1.90 -2.33 -0.78 1.02 -0.29 -5.10 120.64 113.37 2wh8 n GLU 207 Ca -0.00 -4.18 -0.37 0.00 -0.02 0.00 0.00 57.16 52.59 2wh8 n GLU 207 Cb 0.28 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 29.78 2wh8 n GLU 207 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wh8 s PRO 208 N -2.01 3.90 0.00 3.49 0.04 -1.22 -4.52 135.00 134.68 2wh8 s PRO 208 Ca 0.38 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2wh8 s PRO 208 Cb 0.15 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2wh8 s PRO 208 CO -0.05 -0.42 0.00 0.00 0.04 0.00 0.00 177.00 176.57 2wh8 n ALA 209 N -0.30 0.00 0.26 8.56 0.00 -1.26 -5.04 120.51 122.72 2wh8 n ALA 209 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2wh8 n ALA 209 Cb 0.48 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.18 2wh8 n ALA 209 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wh8 n ASP 210 N -0.01 3.40 -4.56 0.00 8.00 -1.26 -4.60 116.55 117.52 2wh8 n ASP 210 Ca 0.00 -1.98 -0.26 0.00 0.71 0.00 0.00 54.79 53.26 2wh8 n ASP 210 Cb 0.00 -0.29 0.12 0.00 -0.02 0.00 0.00 41.12 40.93 2wh8 n ASP 210 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2wh8 s ASP 211 N -1.38 4.06 0.16 -2.24 -4.77 -1.26 -4.43 116.67 106.80 2wh8 s ASP 211 Ca 0.40 0.08 -0.11 0.00 -3.30 0.00 0.00 52.55 49.62 2wh8 s ASP 211 Cb 0.23 -0.42 0.01 0.00 -1.09 0.00 0.00 42.92 41.65 2wh8 s ASP 211 CO 0.31 -2.08 1.57 0.00 0.70 0.00 0.00 175.17 175.67 2wh8 h ALA 212 N -0.92 0.70 0.03 2.11 0.00 -1.77 -0.25 119.26 119.15 2wh8 h ALA 212 Ca -0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 2wh8 h ALA 212 Cb 1.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wh8 h ALA 212 CO 0.45 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 181.13 2wh8 h ILE 213 N 0.84 1.03 -0.74 0.00 2.04 -1.83 -1.11 117.51 117.75 2wh8 h ILE 213 Ca 0.13 -0.19 0.12 0.00 1.00 0.00 0.00 64.86 65.91 2wh8 h ILE 213 Cb 0.70 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 2wh8 h ILE 213 CO 0.05 0.05 0.34 0.28 0.00 0.00 0.00 178.15 178.87 2wh8 h SER 214 N -0.12 0.40 -0.75 1.72 0.02 -1.83 -0.48 113.55 112.52 2wh8 h SER 214 Ca -0.00 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2wh8 h SER 214 Cb 0.11 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2wh8 h SER 214 CO 0.01 0.20 0.28 0.45 -1.14 0.00 0.00 176.83 176.62 2wh8 h HIS 215 N 0.54 1.16 -0.34 3.45 3.86 -0.75 0.56 115.15 123.64 2wh8 h HIS 215 Ca 0.39 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2wh8 h HIS 215 Cb 0.50 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 2wh8 h HIS 215 CO -0.13 0.90 0.20 -0.07 0.86 0.00 0.00 177.93 179.69 2wh8 h LEU 216 N 1.09 0.41 -0.25 2.43 3.38 -0.17 -0.35 115.31 121.84 2wh8 h LEU 216 Ca 0.25 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2wh8 h LEU 216 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2wh8 h LEU 216 CO -0.02 0.35 -0.12 0.58 0.09 0.00 0.00 178.44 179.32 2wh8 h VAL 217 N 0.44 1.30 -0.88 1.22 2.07 -0.76 -0.78 116.25 118.86 2wh8 h VAL 217 Ca 0.12 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.51 2wh8 h VAL 217 Cb 0.01 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2wh8 h VAL 217 CO -0.02 0.37 0.57 0.00 0.02 0.00 0.00 177.57 178.51 2wh8 h ALA 218 N 0.73 1.52 -0.00 1.67 0.00 0.22 0.34 119.26 123.74 2wh8 h ALA 218 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wh8 h ALA 218 Cb 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wh8 h ALA 218 CO 0.04 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2wh8 n ALA 219 N -2.40 2.65 0.00 0.00 0.00 -0.15 -4.88 120.51 115.73 2wh8 n ALA 219 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wh8 n ALA 219 Cb 0.18 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2wh8 n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh8 n GLY 220 N 0.90 0.66 3.70 0.00 0.00 0.11 -5.06 105.19 105.51 2wh8 n GLY 220 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2wh8 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh8 s VAL 221 N -2.00 3.64 0.00 1.61 1.01 -0.34 -3.39 120.40 120.93 2wh8 s VAL 221 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2wh8 s VAL 221 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2wh8 s VAL 221 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2wh8 n GLY 222 N 3.50 1.48 1.87 4.51 0.00 -1.26 -4.47 105.19 110.81 2wh8 n GLY 222 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2wh8 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 n ALA 223 N -1.46 -2.09 -2.23 4.61 0.00 -1.22 -3.59 120.51 114.53 2wh8 n ALA 223 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 2wh8 n ALA 223 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.60 2wh8 n ALA 223 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh8 n ASP 224 N 1.15 -2.55 -4.02 0.00 5.68 -1.26 -3.09 116.55 112.46 2wh8 n ASP 224 Ca 0.09 -0.18 -0.26 0.00 -0.50 0.00 0.00 54.79 53.94 2wh8 n ASP 224 Cb 0.16 -1.81 -0.08 0.00 -1.14 0.00 0.00 41.12 38.24 2wh8 n ASP 224 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wh8 n GLY 225 N -1.20 -0.10 2.66 6.12 0.00 -1.26 -4.79 105.19 106.62 2wh8 n GLY 225 Ca -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 2wh8 n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh8 n ASP 226 N -2.35 -1.20 0.00 1.61 5.68 -1.18 -4.98 116.55 114.13 2wh8 n ASP 226 Ca -0.27 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 2wh8 n ASP 226 Cb 0.58 0.62 0.00 0.00 -1.14 0.00 0.00 41.12 41.18 2wh8 n ASP 226 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2wh8 n THR 227 N 2.15 0.00 0.12 2.12 -1.04 -1.24 -4.28 114.28 112.11 2wh8 n THR 227 Ca 0.07 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 2wh8 n THR 227 Cb 0.68 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.04 2wh8 n THR 227 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wh8 h ALA 228 N 0.00 -0.10 -0.89 2.41 0.00 -1.93 -1.96 119.26 116.79 2wh8 h ALA 228 Ca 0.00 -0.82 0.11 0.00 0.00 0.00 0.00 54.91 54.20 2wh8 h ALA 228 Cb 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2wh8 h ALA 228 CO 0.00 0.69 0.52 0.78 0.00 0.00 0.00 179.25 181.24 2wh8 h GLY 229 N 0.21 1.42 0.86 0.00 0.00 -1.90 0.35 103.07 104.00 2wh8 h GLY 229 Ca -0.23 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 2wh8 h GLY 229 CO 0.26 0.13 -0.30 -0.84 0.00 0.00 0.00 176.54 175.79 2wh8 h THR 230 N 0.85 1.34 -0.71 4.70 2.02 -1.80 -1.99 112.91 117.31 2wh8 h THR 230 Ca 0.44 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 2wh8 h THR 230 Cb 0.43 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 2wh8 h THR 230 CO -0.26 0.47 0.23 0.25 0.37 0.00 0.00 175.52 176.57 2wh8 h LEU 231 N 0.19 1.01 -1.02 2.58 5.85 -1.02 -0.22 115.31 122.69 2wh8 h LEU 231 Ca 0.02 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2wh8 h LEU 231 Cb 0.89 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2wh8 h LEU 231 CO 0.07 0.94 0.66 0.77 -0.34 0.00 0.00 178.44 180.53 2wh8 h SER 232 N 1.05 1.10 -0.44 1.25 4.64 -0.07 0.39 113.55 121.47 2wh8 h SER 232 Ca 0.23 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.41 2wh8 h SER 232 Cb 0.28 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2wh8 h SER 232 CO -0.01 0.76 -0.22 0.40 -0.87 0.00 0.00 176.83 176.88 2wh8 h ILE 233 N 1.28 1.27 -0.62 0.95 2.04 -0.63 -1.41 117.51 120.39 2wh8 h ILE 233 Ca 0.40 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 2wh8 h ILE 233 Cb -0.01 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2wh8 h ILE 233 CO -0.12 0.47 0.07 -0.07 0.00 0.00 0.00 178.15 178.50 2wh8 h LEU 234 N 0.82 0.99 -0.96 1.44 3.38 -0.36 -1.24 115.31 119.38 2wh8 h LEU 234 Ca 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2wh8 h LEU 234 Cb 0.79 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2wh8 h LEU 234 CO 0.07 1.01 0.58 0.00 0.09 0.00 0.00 178.44 180.18 2wh8 h ALA 235 N 1.10 1.22 -0.72 1.53 0.00 -0.09 -1.42 119.26 120.88 2wh8 h ALA 235 Ca 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2wh8 h ALA 235 Cb 0.46 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2wh8 h ALA 235 CO 0.02 0.67 0.19 0.35 0.00 0.00 0.00 179.25 180.48 2wh8 h PHE 236 N 1.32 1.19 -0.66 0.00 3.57 -0.62 0.23 116.94 121.96 2wh8 h PHE 236 Ca 0.34 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2wh8 h PHE 236 Cb -0.06 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.30 2wh8 h PHE 236 CO 0.01 0.95 0.39 1.15 -2.23 0.00 0.00 178.31 178.58 2wh8 h THR 237 N 1.08 1.03 -0.34 4.41 2.02 -0.54 0.11 112.91 120.69 2wh8 h THR 237 Ca 0.23 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 2wh8 h THR 237 Cb 0.35 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2wh8 h THR 237 CO -0.00 0.14 -0.31 -0.26 0.37 0.00 0.00 175.52 175.45 2wh8 h PHE 238 N 0.75 0.85 -0.42 3.16 -1.00 -0.76 -0.65 116.94 118.87 2wh8 h PHE 238 Ca 0.28 -0.22 0.04 0.00 2.81 0.00 0.00 57.97 60.88 2wh8 h PHE 238 Cb 0.10 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 2wh8 h PHE 238 CO -0.06 0.95 0.19 1.15 -1.61 0.00 0.00 178.31 178.93 2wh8 h THR 239 N 0.62 0.95 -0.37 -1.55 2.02 -0.27 0.40 112.91 114.70 2wh8 h THR 239 Ca 0.07 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.14 2wh8 h THR 239 Cb 0.83 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 2wh8 h THR 239 CO 0.07 0.07 0.20 0.24 0.37 0.00 0.00 175.52 176.47 2wh8 h MET 240 N 0.40 0.39 -0.12 6.66 2.86 -0.52 -1.62 114.93 122.97 2wh8 h MET 240 Ca 0.18 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 2wh8 h MET 240 Cb 0.11 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2wh8 h MET 240 CO -0.14 0.26 -0.14 0.28 1.06 0.00 0.00 176.91 178.22 2wh8 h VAL 241 N 0.40 1.37 0.00 -2.22 2.07 -0.77 -0.90 116.25 116.20 2wh8 h VAL 241 Ca 0.16 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2wh8 h VAL 241 Cb 0.05 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2wh8 h VAL 241 CO -0.10 0.39 -0.08 0.71 0.02 0.00 0.00 177.57 178.50 2wh8 h THR 242 N -0.11 0.20 0.00 2.57 1.35 -0.21 -3.33 112.91 113.38 2wh8 h THR 242 Ca 0.01 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2wh8 h THR 242 Cb 0.69 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2wh8 h THR 242 CO 0.03 0.08 -1.06 0.61 -0.25 0.00 0.00 175.52 174.94 2wh8 n GLY 243 N 0.26 -0.30 0.13 5.82 0.00 -0.61 -4.71 105.19 105.78 2wh8 n GLY 243 Ca 0.01 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.83 2wh8 n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh8 n GLY 244 N 1.58 -0.54 0.41 -0.02 0.00 -0.35 -4.47 105.19 101.80 2wh8 n GLY 244 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2wh8 n GLY 244 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wh8 n ASN 245 N -1.04 0.00 -0.02 1.61 3.02 -1.25 -4.40 115.26 113.18 2wh8 n ASN 245 Ca 0.05 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.76 2wh8 n ASN 245 Cb 0.33 -0.24 0.61 0.00 -0.61 0.00 0.00 39.78 39.87 2wh8 n ASN 245 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2wh8 h ASP 246 N 0.00 0.16 0.24 6.41 2.03 -1.85 -1.54 116.42 121.86 2wh8 h ASP 246 Ca 0.00 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2wh8 h ASP 246 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2wh8 h ASP 246 CO 0.00 0.09 -0.11 0.71 -1.03 0.00 0.00 179.24 178.90 2wh8 h THR 247 N 0.17 0.82 -0.66 1.15 1.35 -1.85 0.20 112.91 114.10 2wh8 h THR 247 Ca 0.25 -0.37 0.05 0.00 -0.55 0.00 0.00 66.41 65.79 2wh8 h THR 247 Cb 0.76 1.04 -0.05 0.00 -1.73 0.00 0.00 68.15 68.16 2wh8 h THR 247 CO -0.04 0.08 0.37 0.58 -0.25 0.00 0.00 175.52 176.27 2wh8 h VAL 248 N -0.50 0.99 -0.67 6.82 2.07 -1.64 0.23 116.25 123.55 2wh8 h VAL 248 Ca -0.03 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2wh8 h VAL 248 Cb 0.38 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wh8 h VAL 248 CO 0.05 0.13 0.36 0.74 0.02 0.00 0.00 177.57 178.87 2wh8 h THR 249 N 0.70 1.20 -0.49 2.57 2.02 -1.11 0.40 112.91 118.20 2wh8 h THR 249 Ca 0.29 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 2wh8 h THR 249 Cb 0.15 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2wh8 h THR 249 CO -0.16 0.22 -0.07 1.23 0.37 0.00 0.00 175.52 177.11 2wh8 h GLY 250 N 0.98 0.99 0.72 2.16 0.00 -0.02 0.18 103.07 108.09 2wh8 h GLY 250 Ca 0.24 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2wh8 h GLY 250 CO -0.04 0.72 -0.27 1.98 0.00 0.00 0.00 176.54 178.93 2wh8 h MET 251 N 0.77 -0.56 0.27 4.80 -1.53 -0.29 0.18 114.93 118.57 2wh8 h MET 251 Ca 0.13 0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.42 2wh8 h MET 251 Cb 0.61 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.79 2wh8 h MET 251 CO 0.04 -0.38 -0.13 -0.07 0.14 0.00 0.00 176.91 176.51 2wh8 h LEU 252 N -0.58 -0.31 -0.34 3.39 3.38 -0.85 -2.38 115.31 117.61 2wh8 h LEU 252 Ca -0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2wh8 h LEU 252 Cb 0.53 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2wh8 h LEU 252 CO -0.04 0.01 -0.07 1.23 0.09 0.00 0.00 178.44 179.66 2wh8 h GLY 253 N -0.65 0.70 2.00 0.83 0.00 -0.68 -2.94 103.07 102.33 2wh8 h GLY 253 Ca -0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2wh8 h GLY 253 CO 0.06 0.52 -0.01 -1.33 0.00 0.00 0.00 176.54 175.78 2wh8 h GLY 254 N 0.43 0.00 2.00 4.60 0.00 -0.70 -2.11 103.07 107.30 2wh8 h GLY 254 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 2wh8 h GLY 254 CO 0.03 0.00 -0.31 1.76 0.00 0.00 0.00 176.54 178.02 2wh8 h SER 255 N 0.00 0.00 0.22 0.19 0.02 -1.23 -3.34 113.55 109.40 2wh8 h SER 255 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2wh8 h SER 255 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2wh8 h SER 255 CO 0.00 0.31 -0.11 0.24 -1.14 0.00 0.00 176.83 176.13 2wh8 h MET 256 N 0.00 -0.29 -0.57 3.45 2.86 -1.41 -1.23 114.93 117.74 2wh8 h MET 256 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2wh8 h MET 256 Cb 0.96 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 2wh8 h MET 256 CO 0.04 -0.04 0.37 -1.00 1.06 0.00 0.00 176.91 177.34 2wh8 h PRO 257 N -0.51 0.76 -0.41 -0.22 0.13 -1.74 0.13 132.00 130.15 2wh8 h PRO 257 Ca -0.03 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2wh8 h PRO 257 Cb 0.38 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 2wh8 h PRO 257 CO 0.05 0.52 0.13 -0.07 -0.23 0.00 0.00 178.00 178.39 2wh8 h LEU 258 N 0.78 0.59 -0.19 1.56 3.38 -1.59 -1.73 115.31 118.12 2wh8 h LEU 258 Ca 0.21 -0.21 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 2wh8 h LEU 258 Cb -0.07 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.53 2wh8 h LEU 258 CO -0.04 0.64 -0.75 -0.07 0.09 0.00 0.00 178.44 178.31 2wh8 h LEU 259 N 0.52 0.94 -1.28 1.67 3.38 -1.02 -3.21 115.31 116.30 2wh8 h LEU 259 Ca 0.13 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.53 2wh8 h LEU 259 Cb 0.26 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2wh8 h LEU 259 CO -0.00 1.40 0.50 -0.74 0.09 0.00 0.00 178.44 179.69 2wh8 h HIS 260 N 0.55 0.90 -0.01 1.13 2.76 -0.51 -2.42 115.15 117.56 2wh8 h HIS 260 Ca -0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2wh8 h HIS 260 Cb 1.38 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.04 2wh8 h HIS 260 CO 0.08 0.53 -0.06 2.89 -1.30 0.00 0.00 177.93 180.08 2wh8 n ARG 261 N -4.45 1.16 -3.32 5.26 1.85 -0.67 -4.35 116.66 112.14 2wh8 n ARG 261 Ca 0.10 -0.50 -0.26 0.00 -1.00 0.00 0.00 57.85 56.19 2wh8 n ARG 261 Cb 0.11 -1.49 -0.07 0.00 -1.05 0.00 0.00 32.46 29.96 2wh8 n ARG 261 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wh8 n ARG 262 N -0.49 1.91 0.31 2.89 5.12 -0.91 -4.91 116.66 120.59 2wh8 n ARG 262 Ca 0.18 -4.16 0.19 0.00 -1.93 0.00 0.00 57.85 52.13 2wh8 n ARG 262 Cb 0.28 -1.89 1.01 0.00 -1.16 0.00 0.00 32.46 30.70 2wh8 n ARG 262 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2wh8 h PRO 263 N 4.05 0.00 -0.51 5.56 0.13 -1.76 -1.40 132.00 138.07 2wh8 h PRO 263 Ca 0.15 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.24 2wh8 h PRO 263 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2wh8 h PRO 263 CO 0.70 0.02 0.15 0.38 -0.23 0.00 0.00 178.00 179.02 2wh8 h ASP 264 N 0.00 0.69 -0.05 1.44 2.03 -1.93 -0.37 116.42 118.23 2wh8 h ASP 264 Ca -0.00 -0.10 -0.10 0.00 -0.73 0.00 0.00 57.03 56.09 2wh8 h ASP 264 Cb 0.12 -0.18 0.01 0.00 -0.83 0.00 0.00 39.33 38.44 2wh8 h ASP 264 CO 0.00 0.67 -0.36 1.56 -1.03 0.00 0.00 179.24 180.08 2wh8 h GLN 265 N 0.74 0.34 -1.01 4.15 1.08 -1.67 -2.01 115.11 116.73 2wh8 h GLN 265 Ca 0.17 -0.29 0.11 0.00 -1.45 0.00 0.00 58.65 57.18 2wh8 h GLN 265 Cb 0.23 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.64 2wh8 h GLN 265 CO -0.01 0.95 0.64 0.00 -0.95 0.00 0.00 178.83 179.46 2wh8 h ARG 266 N -0.17 1.01 -0.31 1.46 3.08 -1.23 -2.31 114.38 115.90 2wh8 h ARG 266 Ca -0.03 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.01 2wh8 h ARG 266 Cb 1.03 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2wh8 h ARG 266 CO 0.07 0.67 0.05 -0.09 -1.07 0.00 0.00 179.97 179.60 2wh8 h ARG 267 N 1.04 0.15 -0.83 0.04 9.65 -0.79 0.17 114.38 123.80 2wh8 h ARG 267 Ca 0.49 -0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.53 2wh8 h ARG 267 Cb 0.43 -0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.87 2wh8 h ARG 267 CO -0.25 0.10 0.37 -0.07 2.80 0.00 0.00 179.97 182.92 2wh8 h LEU 268 N 0.15 0.36 0.00 3.80 3.38 -0.80 -0.44 115.31 121.77 2wh8 h LEU 268 Ca 0.14 0.12 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2wh8 h LEU 268 Cb 0.17 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2wh8 h LEU 268 CO -0.20 0.10 -1.02 -0.07 0.09 0.00 0.00 178.44 177.34 2wh8 h LEU 269 N 0.48 0.00 -0.72 1.67 3.38 -1.19 0.51 115.31 119.43 2wh8 h LEU 269 Ca 0.48 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.35 2wh8 h LEU 269 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2wh8 h LEU 269 CO -0.44 0.82 -0.10 -0.07 0.09 0.00 0.00 178.44 178.75 2wh8 h LEU 270 N 0.00 0.86 -0.03 1.67 3.38 0.10 -2.65 115.31 118.65 2wh8 h LEU 270 Ca -0.07 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 2wh8 h LEU 270 Cb 1.69 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 2wh8 h LEU 270 CO 0.10 0.99 -0.73 0.44 0.09 0.00 0.00 178.44 179.32 2wh8 h ASP 271 N 0.79 0.00 -2.17 -0.43 3.32 -1.00 -3.41 116.42 113.51 2wh8 h ASP 271 Ca 0.13 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.71 2wh8 h ASP 271 Cb 0.61 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.82 2wh8 h ASP 271 CO 0.04 0.73 -0.79 -0.62 -1.72 0.00 0.00 179.24 176.88 2wh8 s ASP 272 N -6.58 1.60 0.16 6.45 2.15 0.16 -4.99 116.67 115.62 2wh8 s ASP 272 Ca 0.02 -2.11 0.15 0.00 0.43 0.00 0.00 52.55 51.05 2wh8 s ASP 272 Cb 0.09 0.14 0.71 0.00 -0.30 0.00 0.00 42.92 43.56 2wh8 s ASP 272 CO 0.78 -0.24 1.47 -2.65 -0.17 0.00 0.00 175.17 174.36 2wh8 n PRO 273 N 3.79 0.09 0.00 4.34 -0.02 -1.00 -1.73 135.00 140.46 2wh8 n PRO 273 Ca 0.16 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 2wh8 n PRO 273 Cb 0.44 -1.72 0.78 0.00 -0.02 0.00 0.00 33.50 32.97 2wh8 n PRO 273 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wh8 n GLU 274 N -1.90 0.49 0.00 -0.52 4.71 -1.26 -1.69 120.64 120.47 2wh8 n GLU 274 Ca 0.01 -0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 2wh8 n GLU 274 Cb 0.11 -1.50 0.71 0.00 -1.01 0.00 0.00 31.44 29.75 2wh8 n GLU 274 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wh8 n GLY 275 N 1.26 -0.52 0.12 0.62 0.00 -0.71 -4.22 105.19 101.73 2wh8 n GLY 275 Ca 0.15 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2wh8 n GLY 275 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wh8 h ILE 276 N 1.17 1.28 -0.75 -0.61 2.04 -1.52 0.38 117.51 119.50 2wh8 h ILE 276 Ca 0.00 -0.96 0.14 0.00 1.00 0.00 0.00 64.86 65.04 2wh8 h ILE 276 Cb 0.27 1.62 -0.14 0.00 -0.74 0.00 0.00 36.82 37.84 2wh8 h ILE 276 CO 0.00 0.28 -0.29 -0.65 0.00 0.00 0.00 178.15 177.49 2wh8 h PRO 277 N -0.02 -0.06 -0.19 2.37 0.11 -1.81 0.33 132.00 132.73 2wh8 h PRO 277 Ca 0.04 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 2wh8 h PRO 277 Cb 0.44 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2wh8 h PRO 277 CO 0.01 -0.04 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.15 2wh8 h ASP 278 N -0.07 0.30 -0.41 -2.05 3.32 -1.73 -1.95 116.42 113.84 2wh8 h ASP 278 Ca 0.32 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 2wh8 h ASP 278 Cb 0.57 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2wh8 h ASP 278 CO -0.79 0.50 -0.03 0.00 -1.72 0.00 0.00 179.24 177.19 2wh8 h ALA 279 N 1.54 1.04 -0.80 3.45 0.00 0.13 -2.25 119.26 122.37 2wh8 h ALA 279 Ca 0.05 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2wh8 h ALA 279 Cb 0.48 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2wh8 h ALA 279 CO 0.03 0.59 0.49 0.28 0.00 0.00 0.00 179.25 180.65 2wh8 h VAL 280 N 0.76 1.06 -0.63 0.00 2.07 0.35 -1.34 116.25 118.53 2wh8 h VAL 280 Ca 0.14 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2wh8 h VAL 280 Cb 0.50 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2wh8 h VAL 280 CO 0.03 0.17 0.18 -0.33 0.02 0.00 0.00 177.57 177.63 2wh8 h GLU 281 N 0.92 0.96 -0.41 1.57 4.39 -1.26 0.16 114.58 120.91 2wh8 h GLU 281 Ca 0.34 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 2wh8 h GLU 281 Cb 0.11 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2wh8 h GLU 281 CO -0.15 0.84 -0.14 1.49 -1.16 0.00 0.00 179.01 179.89 2wh8 h GLU 282 N 0.93 0.83 -0.84 2.33 4.57 -1.21 -0.39 114.58 120.79 2wh8 h GLU 282 Ca 0.20 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2wh8 h GLU 282 Cb 0.29 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2wh8 h GLU 282 CO -0.00 0.97 0.42 -0.07 -1.18 0.00 0.00 179.01 179.14 2wh8 h LEU 283 N 0.64 1.08 -0.86 1.64 3.38 -1.01 -1.19 115.31 118.99 2wh8 h LEU 283 Ca 0.10 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2wh8 h LEU 283 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2wh8 h LEU 283 CO 0.05 0.90 0.16 -0.07 0.09 0.00 0.00 178.44 179.56 2wh8 h LEU 284 N 1.19 0.94 0.03 1.67 3.38 -0.68 0.66 115.31 122.50 2wh8 h LEU 284 Ca 0.29 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2wh8 h LEU 284 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wh8 h LEU 284 CO -0.04 0.91 -0.13 -0.09 0.09 0.00 0.00 178.44 179.18 2wh8 h ARG 285 N 0.96 -0.23 0.02 1.13 2.43 -0.47 -0.41 114.38 117.81 2wh8 h ARG 285 Ca 0.20 0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.16 2wh8 h ARG 285 Cb 0.34 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2wh8 h ARG 285 CO 0.00 -0.15 -1.08 -0.07 -1.51 0.00 0.00 179.97 177.15 2wh8 h LEU 286 N -0.24 0.07 0.13 3.80 3.38 -1.11 -3.28 115.31 118.06 2wh8 h LEU 286 Ca 0.04 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 2wh8 h LEU 286 Cb 0.28 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2wh8 h LEU 286 CO -0.11 1.06 -1.24 0.71 0.09 0.00 0.00 178.44 178.94 2wh8 h THR 287 N 0.01 1.49 -6.60 0.22 1.35 -0.90 -3.48 112.91 105.00 2wh8 h THR 287 Ca -0.05 -3.04 -0.27 0.00 -0.55 0.00 0.00 66.41 62.50 2wh8 h THR 287 Cb 1.82 2.94 -0.01 0.00 -1.73 0.00 0.00 68.15 71.17 2wh8 h THR 287 CO 0.14 0.89 -0.51 -0.24 -0.25 0.00 0.00 175.52 175.54 2wh8 n SER 288 N -3.54 -2.12 -0.33 5.36 2.88 -0.17 -4.75 113.62 110.95 2wh8 n SER 288 Ca -0.09 -0.56 0.10 0.00 -1.33 0.00 0.00 58.87 56.99 2wh8 n SER 288 Cb 1.02 -0.76 0.30 0.00 -0.75 0.00 0.00 64.21 64.02 2wh8 n SER 288 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2wh8 h PRO 289 N 0.35 0.83 -6.04 -1.46 0.11 -1.83 -2.42 132.00 121.53 2wh8 h PRO 289 Ca -0.33 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.15 2wh8 h PRO 289 Cb 0.68 -0.19 -0.10 0.00 0.11 0.00 0.00 31.00 31.50 2wh8 h PRO 289 CO 0.22 0.55 1.07 0.08 -0.21 0.00 0.00 178.00 179.70 2wh8 s VAL 290 N -5.84 3.95 0.17 3.15 1.01 -1.26 -0.25 120.40 121.32 2wh8 s VAL 290 Ca -0.11 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2wh8 s VAL 290 Cb 0.23 -4.91 -0.15 0.00 0.00 0.00 0.00 36.38 31.55 2wh8 s VAL 290 CO 0.80 -1.79 1.38 1.56 0.00 0.00 0.00 175.10 177.05 2wh8 h GLN 291 N 9.81 0.08 -1.98 2.72 1.08 -0.31 -3.38 115.11 123.12 2wh8 h GLN 291 Ca -0.13 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 56.93 2wh8 h GLN 291 Cb 1.04 0.03 -0.20 0.00 -0.05 0.00 0.00 27.48 28.30 2wh8 h GLN 291 CO 1.29 0.91 0.19 0.20 -0.95 0.00 0.00 178.83 180.47 2wh8 s GLY 292 N -4.59 -0.55 0.05 3.46 0.00 -1.13 0.37 107.32 104.93 2wh8 s GLY 292 Ca -0.01 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.27 2wh8 s GLY 292 CO 0.81 1.19 -0.05 1.08 0.00 0.00 0.00 173.10 176.13 2wh8 s LEU 293 N -0.74 2.36 0.32 0.66 1.43 -1.02 -4.67 118.68 117.02 2wh8 s LEU 293 Ca -0.07 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 2wh8 s LEU 293 Cb -0.01 0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.21 2wh8 s LEU 293 CO 0.07 -0.38 0.49 0.00 0.23 0.00 0.00 176.35 176.76 2wh8 s ALA 294 N -2.47 3.85 0.28 4.21 0.00 0.81 -0.35 121.76 128.09 2wh8 s ALA 294 Ca -0.04 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2wh8 s ALA 294 Cb -0.03 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 2wh8 s ALA 294 CO -0.04 0.02 0.03 1.03 0.00 0.00 0.00 175.76 176.81 2wh8 s ARG 295 N -4.22 1.49 -0.18 0.00 1.81 0.64 -4.48 118.95 114.02 2wh8 s ARG 295 Ca 0.40 -1.80 0.01 0.00 -1.72 0.00 0.00 55.73 52.62 2wh8 s ARG 295 Cb -0.09 -0.71 0.02 0.00 -0.45 0.00 0.00 34.95 33.71 2wh8 s ARG 295 CO 0.33 -0.15 -0.20 0.99 -0.68 0.00 0.00 175.30 175.60 2wh8 s THR 296 N -3.38 2.02 0.24 0.02 2.01 0.59 -0.12 115.64 117.02 2wh8 s THR 296 Ca 0.33 -0.92 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 2wh8 s THR 296 Cb 0.07 -1.83 -0.13 0.00 0.01 0.00 0.00 72.50 70.62 2wh8 s THR 296 CO 0.12 0.53 1.50 0.35 -0.69 0.00 0.00 174.62 176.43 2wh8 n THR 297 N 4.62 0.80 0.97 -0.82 -2.24 -0.64 -0.83 114.28 116.15 2wh8 n THR 297 Ca -0.21 -0.20 0.10 0.00 -2.27 0.00 0.00 64.05 61.48 2wh8 n THR 297 Cb 0.50 -1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.04 2wh8 n THR 297 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wh8 n THR 298 N 2.27 0.00 -3.78 4.28 -2.24 -0.26 -0.67 114.28 113.87 2wh8 n THR 298 Ca 0.12 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 2wh8 n THR 298 Cb 0.33 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 2wh8 n THR 298 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh8 s ARG 299 N -2.65 1.49 0.37 -0.78 1.70 -1.26 -4.83 118.95 113.00 2wh8 s ARG 299 Ca 0.14 -0.92 -0.26 0.00 -0.47 0.00 0.00 55.73 54.21 2wh8 s ARG 299 Cb 0.17 0.54 -0.11 0.00 -0.57 0.00 0.00 34.95 34.97 2wh8 s ARG 299 CO 0.68 -0.64 1.18 -0.25 -1.08 0.00 0.00 175.30 175.19 2wh8 n ASP 300 N -0.37 2.15 -3.77 -2.89 9.92 -1.26 -3.76 116.55 116.56 2wh8 n ASP 300 Ca -0.08 1.14 -0.13 0.00 -0.53 0.00 0.00 54.79 55.19 2wh8 n ASP 300 Cb 0.62 -1.43 -0.13 0.00 -0.64 0.00 0.00 41.12 39.53 2wh8 n ASP 300 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2wh8 s VAL 301 N -1.16 -0.03 -0.24 2.53 0.11 -0.54 -4.87 120.40 116.20 2wh8 s VAL 301 Ca 0.59 0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.68 2wh8 s VAL 301 Cb -0.57 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2wh8 s VAL 301 CO 0.59 0.04 0.03 -0.89 -3.33 0.00 0.00 175.10 171.54 2wh8 s THR 302 N 0.72 3.94 -0.26 5.04 2.01 -1.26 0.57 115.64 126.39 2wh8 s THR 302 Ca -0.05 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2wh8 s THR 302 Cb -0.07 -2.82 0.06 0.00 0.01 0.00 0.00 72.50 69.68 2wh8 s THR 302 CO -0.04 0.37 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.54 2wh8 s ILE 303 N 1.56 2.10 0.00 1.82 1.01 -0.52 -5.00 121.20 122.17 2wh8 s ILE 303 Ca 0.06 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.09 2wh8 s ILE 303 Cb -0.15 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.08 2wh8 s ILE 303 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.50 2wh8 n GLY 304 N 4.45 1.71 0.74 6.18 0.00 -1.26 -2.90 105.19 114.11 2wh8 n GLY 304 Ca -0.13 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.24 2wh8 n GLY 304 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh8 n ASP 305 N 11.36 2.81 -4.29 1.61 3.85 -1.26 -4.90 116.55 125.73 2wh8 n ASP 305 Ca 0.00 -1.84 -0.32 0.00 -0.71 0.00 0.00 54.79 51.92 2wh8 n ASP 305 Cb 0.00 -0.18 -0.16 0.00 -1.35 0.00 0.00 41.12 39.43 2wh8 n ASP 305 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2wh8 s THR 306 N -1.09 2.23 -0.23 2.12 2.01 -1.14 -5.09 115.64 114.45 2wh8 s THR 306 Ca 0.25 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2wh8 s THR 306 Cb 0.14 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 2wh8 s THR 306 CO 0.20 0.57 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.79 2wh8 s THR 307 N -0.12 3.53 -0.16 -0.82 2.01 -1.26 -1.44 115.64 117.39 2wh8 s THR 307 Ca -0.04 -0.50 -0.22 0.00 0.31 0.00 0.00 61.69 61.24 2wh8 s THR 307 Cb -0.14 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 2wh8 s THR 307 CO 0.04 0.37 0.69 -0.63 -0.69 0.00 0.00 174.62 174.40 2wh8 s ILE 308 N 1.49 5.00 0.58 1.82 1.01 0.19 -4.91 121.20 126.37 2wh8 s ILE 308 Ca 0.05 1.35 -0.20 0.00 0.00 0.00 0.00 60.65 61.86 2wh8 s ILE 308 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2wh8 s ILE 308 CO -0.02 0.13 1.23 -2.84 0.00 0.00 0.00 174.94 173.44 2wh8 s PRO 309 N 1.68 3.05 0.29 2.79 0.02 -1.26 -1.46 135.00 140.11 2wh8 s PRO 309 Ca 0.33 1.89 -0.28 0.00 0.02 0.00 0.00 61.00 62.96 2wh8 s PRO 309 Cb -0.16 -2.02 -0.14 0.00 0.02 0.00 0.00 34.50 32.20 2wh8 s PRO 309 CO 0.13 -1.16 1.03 0.00 -0.33 0.00 0.00 177.00 176.67 2wh8 n ALA 310 N -1.42 -0.13 -0.60 -1.55 0.00 -1.25 -3.07 120.51 112.50 2wh8 n ALA 310 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2wh8 n ALA 310 Cb 0.49 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2wh8 n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh8 n GLY 311 N 1.20 0.69 3.78 0.00 0.00 0.15 -4.91 105.19 106.09 2wh8 n GLY 311 Ca 0.09 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wh8 n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh8 s ARG 312 N -0.51 2.86 0.32 1.61 1.81 -1.17 -4.85 118.95 119.01 2wh8 s ARG 312 Ca 0.00 -0.78 -0.27 0.00 -1.72 0.00 0.00 55.73 52.96 2wh8 s ARG 312 Cb 0.00 -2.68 -0.09 0.00 -0.45 0.00 0.00 34.95 31.73 2wh8 s ARG 312 CO 0.00 0.53 1.03 1.03 -0.68 0.00 0.00 175.30 177.21 2wh8 s ARG 313 N -2.67 4.52 -0.15 3.54 1.81 -1.26 -1.62 118.95 123.11 2wh8 s ARG 313 Ca 0.30 1.58 0.00 0.00 -1.72 0.00 0.00 55.73 55.89 2wh8 s ARG 313 Cb -0.11 -2.93 0.02 0.00 -0.45 0.00 0.00 34.95 31.48 2wh8 s ARG 313 CO 0.22 0.16 -0.13 0.08 -0.68 0.00 0.00 175.30 174.95 2wh8 s VAL 314 N -1.40 1.52 -0.37 3.52 1.01 0.82 -0.99 120.40 124.51 2wh8 s VAL 314 Ca 0.49 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 2wh8 s VAL 314 Cb -0.26 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2wh8 s VAL 314 CO 0.32 0.42 1.01 -0.22 0.00 0.00 0.00 175.10 176.64 2wh8 s LEU 315 N 1.50 3.91 -0.63 3.92 2.96 -0.14 -0.26 118.68 129.95 2wh8 s LEU 315 Ca 0.04 0.71 -0.23 0.00 -0.22 0.00 0.00 54.13 54.43 2wh8 s LEU 315 Cb -0.13 -3.41 0.06 0.00 0.50 0.00 0.00 46.19 43.22 2wh8 s LEU 315 CO -0.10 -0.94 0.95 -0.76 -1.32 0.00 0.00 176.35 174.17 2wh8 s LEU 316 N 3.72 4.34 -1.24 -0.68 1.43 0.52 -0.29 118.68 126.48 2wh8 s LEU 316 Ca 0.42 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2wh8 s LEU 316 Cb -0.11 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.66 2wh8 s LEU 316 CO 0.20 -1.38 1.72 -0.76 0.23 0.00 0.00 176.35 176.36 2wh8 s LEU 317 N 3.99 3.71 0.32 1.79 1.43 -0.15 -2.43 118.68 127.34 2wh8 s LEU 317 Ca 0.23 -2.21 0.06 0.00 -1.03 0.00 0.00 54.13 51.19 2wh8 s LEU 317 Cb -0.16 -2.58 0.73 0.00 0.03 0.00 0.00 46.19 44.21 2wh8 s LEU 317 CO 0.12 -1.41 1.83 1.88 0.23 0.00 0.00 176.35 179.00 2wh8 h TYR 318 N 8.14 0.97 0.00 0.29 0.05 -1.44 -0.15 116.97 124.84 2wh8 h TYR 318 Ca 0.39 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.16 2wh8 h TYR 318 Cb 0.90 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 2wh8 h TYR 318 CO 1.39 0.32 -0.18 0.78 -1.05 0.00 0.00 178.16 179.42 2wh8 h GLY 319 N 0.79 0.00 0.50 3.88 0.00 -0.27 -1.18 103.07 106.78 2wh8 h GLY 319 Ca 0.50 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.61 2wh8 h GLY 319 CO -0.27 0.00 -1.09 0.23 0.00 0.00 0.00 176.54 175.42 2wh8 h SER 320 N 0.00 0.34 -0.97 0.19 0.87 -1.43 -3.25 113.55 109.29 2wh8 h SER 320 Ca -0.00 -0.87 0.12 0.00 -1.23 0.00 0.00 61.79 59.81 2wh8 h SER 320 Cb 0.32 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 2wh8 h SER 320 CO 0.02 1.48 0.60 0.00 -0.53 0.00 0.00 176.83 178.40 2wh8 h ALA 321 N -0.04 1.46 0.00 6.23 0.00 -0.88 0.30 119.26 126.33 2wh8 h ALA 321 Ca -0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wh8 h ALA 321 Cb 1.62 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2wh8 h ALA 321 CO 0.06 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.58 2wh8 n ASN 322 N -4.65 0.65 -0.34 0.00 3.02 -0.46 -2.54 115.26 110.93 2wh8 n ASN 322 Ca 0.18 0.69 0.03 0.00 -0.03 0.00 0.00 54.58 55.45 2wh8 n ASN 322 Cb 0.36 -0.81 0.07 0.00 -0.61 0.00 0.00 39.78 38.78 2wh8 n ASN 322 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wh8 n ARG 323 N -2.25 1.98 -1.97 3.52 1.74 0.80 -4.83 116.66 115.66 2wh8 n ARG 323 Ca 0.01 -1.53 -0.43 0.00 -0.77 0.00 0.00 57.85 55.14 2wh8 n ARG 323 Cb 0.19 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 2wh8 n ARG 323 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wh8 s ASP 324 N -0.86 6.00 0.49 0.55 -1.08 0.15 -4.71 116.67 117.22 2wh8 s ASP 324 Ca 0.12 1.52 0.28 0.00 -0.52 0.00 0.00 52.55 53.95 2wh8 s ASP 324 Cb 0.07 -2.53 1.36 0.00 -1.46 0.00 0.00 42.92 40.35 2wh8 s ASP 324 CO 0.09 -1.58 1.84 -0.33 0.52 0.00 0.00 175.17 175.71 2wh8 h GLU 325 N 12.43 0.14 0.00 4.34 3.07 -1.89 0.32 114.58 132.98 2wh8 h GLU 325 Ca -0.35 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.48 2wh8 h GLU 325 Cb 1.18 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2wh8 h GLU 325 CO 1.01 0.09 -0.11 0.00 -1.40 0.00 0.00 179.01 178.60 2wh8 h ARG 326 N 0.15 0.00 0.00 2.33 3.08 -1.89 0.83 114.38 118.88 2wh8 h ARG 326 Ca 0.49 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.21 2wh8 h ARG 326 Cb 1.69 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.68 2wh8 h ARG 326 CO -0.09 0.11 -2.26 0.94 -1.07 0.00 0.00 179.97 177.60 2wh8 n GLN 327 N -3.92 0.72 -0.04 0.04 -0.06 0.08 -4.66 117.38 109.54 2wh8 n GLN 327 Ca -0.02 0.09 0.07 0.00 -2.00 0.00 0.00 57.00 55.14 2wh8 n GLN 327 Cb 0.20 -1.45 0.09 0.00 -4.06 0.00 0.00 30.24 25.02 2wh8 n GLN 327 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2wh8 n TYR 328 N -3.02 0.12 0.00 3.69 4.02 0.90 -5.00 117.16 117.87 2wh8 n TYR 328 Ca -0.37 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.43 2wh8 n TYR 328 Cb 0.96 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 2wh8 n TYR 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh8 n GLY 329 N 0.81 -0.18 0.29 2.72 0.00 0.29 -4.10 105.19 105.01 2wh8 n GLY 329 Ca 0.10 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.50 2wh8 n GLY 329 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wh8 h PRO 330 N 0.00 0.00 -0.69 1.61 0.11 -1.96 -0.94 132.00 130.13 2wh8 h PRO 330 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wh8 h PRO 330 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wh8 h PRO 330 CO 0.00 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.44 2wh8 n ASP 331 N -3.29 4.40 -0.10 -2.05 5.75 -1.26 -4.56 116.55 115.45 2wh8 n ASP 331 Ca -0.01 -2.66 0.26 0.00 -0.01 0.00 0.00 54.79 52.37 2wh8 n ASP 331 Cb 0.23 -0.63 0.72 0.00 -1.03 0.00 0.00 41.12 40.40 2wh8 n ASP 331 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wh8 h ALA 332 N 3.47 2.62 0.00 2.12 0.00 -1.31 -0.63 119.26 125.53 2wh8 h ALA 332 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wh8 h ALA 332 Cb 1.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2wh8 h ALA 332 CO 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 178.58 2wh8 n ALA 333 N -2.56 2.19 -2.62 0.00 0.00 -1.26 -4.86 120.51 111.40 2wh8 n ALA 333 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2wh8 n ALA 333 Cb 0.90 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 2wh8 n ALA 333 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wh8 s GLU 334 N -2.88 2.34 -0.04 0.00 2.02 -0.25 -5.08 118.70 114.82 2wh8 s GLU 334 Ca 0.16 -0.92 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 2wh8 s GLU 334 Cb 0.17 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 2wh8 s GLU 334 CO 0.44 0.53 1.58 -1.17 0.02 0.00 0.00 175.26 176.66 2wh8 s LEU 335 N -2.17 4.31 -0.29 1.80 2.96 -1.26 -4.98 118.68 119.04 2wh8 s LEU 335 Ca 0.23 2.19 -0.02 0.00 -0.22 0.00 0.00 54.13 56.30 2wh8 s LEU 335 Cb -0.11 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.13 2wh8 s LEU 335 CO 0.15 -0.87 0.11 -0.62 -1.32 0.00 0.00 176.35 173.80 2wh8 s ASP 336 N 2.87 3.74 0.00 3.68 2.15 -1.26 -4.99 116.67 122.85 2wh8 s ASP 336 Ca 0.70 -1.43 0.13 0.00 0.43 0.00 0.00 52.55 52.38 2wh8 s ASP 336 Cb -0.33 -0.61 0.58 0.00 -0.30 0.00 0.00 42.92 42.26 2wh8 s ASP 336 CO 0.28 -0.42 1.41 1.33 -0.17 0.00 0.00 175.17 177.60 2wh8 n VAL 337 N 5.04 1.02 0.91 1.11 0.24 -1.26 -0.61 118.33 124.78 2wh8 n VAL 337 Ca -0.04 0.26 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 2wh8 n VAL 337 Cb 0.42 -1.03 0.17 0.00 -1.47 0.00 0.00 33.84 31.93 2wh8 n VAL 337 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wh8 n THR 338 N -1.47 0.11 -0.24 3.34 -2.24 -1.26 -3.86 114.28 108.66 2wh8 n THR 338 Ca 0.04 -0.53 0.04 0.00 -2.27 0.00 0.00 64.05 61.33 2wh8 n THR 338 Cb 0.15 1.28 0.17 0.00 -2.10 0.00 0.00 70.33 69.82 2wh8 n THR 338 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wh8 h ARG 339 N 4.40 0.29 -5.76 -0.78 2.43 -1.22 -3.47 114.38 110.27 2wh8 h ARG 339 Ca 0.00 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 2wh8 h ARG 339 Cb 0.94 -0.07 0.13 0.00 -0.42 0.00 0.00 29.97 30.55 2wh8 h ARG 339 CO 0.00 0.19 -0.79 0.00 -1.51 0.00 0.00 179.97 177.86 2wh8 s PRO 341 N -4.80 2.36 -0.06 0.00 0.04 -1.26 -4.97 135.00 126.30 2wh8 s PRO 341 Ca 0.39 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 2wh8 s PRO 341 Cb -0.09 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2wh8 s PRO 341 CO 0.79 -1.66 0.01 1.03 0.04 0.00 0.00 177.00 177.22 2wh8 s ARG 342 N -3.86 2.96 -1.29 4.56 0.52 -1.26 -4.65 118.95 115.92 2wh8 s ARG 342 Ca 0.74 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.47 2wh8 s ARG 342 Cb -0.28 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.42 2wh8 s ARG 342 CO 0.43 0.68 0.89 0.09 0.02 0.00 0.00 175.30 177.41 2wh8 n ASN 343 N 1.87 -2.30 -4.72 0.23 3.02 -1.26 -4.94 115.26 107.16 2wh8 n ASN 343 Ca -0.17 -0.71 -0.32 0.00 -0.03 0.00 0.00 54.58 53.35 2wh8 n ASN 343 Cb 0.53 -4.55 0.11 0.00 -0.61 0.00 0.00 39.78 35.27 2wh8 n ASN 343 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wh8 s ILE 344 N -3.49 2.65 -0.95 2.41 -4.36 -1.26 -4.94 121.20 111.26 2wh8 s ILE 344 Ca 0.11 0.24 0.12 0.00 -0.26 0.00 0.00 60.65 60.86 2wh8 s ILE 344 Cb -0.05 -2.57 0.35 0.00 1.25 0.00 0.00 42.46 41.44 2wh8 s ILE 344 CO 0.77 -0.25 1.29 0.18 0.24 0.00 0.00 174.94 177.18 2wh8 n LEU 345 N -3.52 3.10 -0.33 0.37 4.77 -1.26 -4.70 117.00 115.42 2wh8 n LEU 345 Ca 0.11 -2.08 0.03 0.00 -0.03 0.00 0.00 56.01 54.04 2wh8 n LEU 345 Cb 0.52 -0.28 0.17 0.00 -2.33 0.00 0.00 43.42 41.51 2wh8 n LEU 345 CO 0.50 0.75 1.21 0.74 -1.33 0.00 0.00 177.39 179.26 2wh8 h THR 346 N 2.20 1.00 -0.72 -5.08 2.02 -1.88 -1.70 112.91 108.76 2wh8 h THR 346 Ca 0.00 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 66.67 2wh8 h THR 346 Cb 0.81 -0.08 -0.10 0.00 -1.74 0.00 0.00 68.15 67.04 2wh8 h THR 346 CO 0.02 0.18 0.21 0.49 0.37 0.00 0.00 175.52 176.80 2wh8 n PHE 347 N -4.61 2.42 -4.96 3.16 3.72 -1.26 -4.69 117.46 111.23 2wh8 n PHE 347 Ca 0.15 -1.09 0.00 0.00 -0.05 0.00 0.00 57.45 56.45 2wh8 n PHE 347 Cb 0.23 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 2wh8 n PHE 347 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wh8 n SER 348 N 0.05 -2.95 -3.61 4.37 2.88 -0.64 -1.47 113.62 112.25 2wh8 n SER 348 Ca 0.38 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.78 2wh8 n SER 348 Cb 1.36 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.75 2wh8 n SER 348 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2wh8 s HIS 349 N 0.00 -0.75 0.00 0.66 2.46 -1.26 -4.76 115.29 111.64 2wh8 s HIS 349 Ca 0.00 1.73 0.00 0.00 0.47 0.00 0.00 55.06 57.26 2wh8 s HIS 349 Cb 0.00 0.29 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 2wh8 s HIS 349 CO 0.00 -0.42 0.00 0.41 -2.47 0.00 0.00 174.74 172.26 2wh8 n GLY 350 N 2.33 0.21 0.38 1.59 0.00 -1.26 -3.57 105.19 104.88 2wh8 n GLY 350 Ca -0.15 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.37 2wh8 n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 h ALA 351 N 0.00 1.94 -0.75 4.61 0.00 -1.84 -2.03 119.26 121.19 2wh8 h ALA 351 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wh8 h ALA 351 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wh8 h ALA 351 CO 0.00 -0.18 0.00 0.72 0.00 0.00 0.00 179.25 179.79 2wh8 n HIS 352 N -4.54 1.02 -1.60 0.00 -0.00 -1.26 -5.00 115.22 103.84 2wh8 n HIS 352 Ca 0.17 -0.50 -0.58 0.00 -0.00 0.00 0.00 57.72 56.81 2wh8 n HIS 352 Cb 0.51 -0.01 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 2wh8 n HIS 352 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2wh8 n HIS 353 N 1.67 1.33 -1.64 4.41 -0.00 -0.77 -4.60 115.22 115.62 2wh8 n HIS 353 Ca 0.25 0.85 -0.61 0.00 0.46 0.00 0.00 57.72 58.67 2wh8 n HIS 353 Cb 0.64 -2.25 -0.09 0.00 -0.12 0.00 0.00 29.99 28.17 2wh8 n HIS 353 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wh8 h LEU 355 N 7.20 0.00 -0.76 0.00 3.38 -1.93 -2.85 115.31 120.35 2wh8 h LEU 355 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2wh8 h LEU 355 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2wh8 h LEU 355 CO 0.99 0.06 0.00 0.61 0.09 0.00 0.00 178.44 180.19 2wh8 n GLY 356 N -1.04 -0.11 0.25 0.83 0.00 -1.26 -4.54 105.19 99.32 2wh8 n GLY 356 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.70 2wh8 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 h ALA 357 N 3.84 0.83 -0.42 4.61 0.00 -1.88 0.10 119.26 126.34 2wh8 h ALA 357 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2wh8 h ALA 357 Cb 0.32 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wh8 h ALA 357 CO 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 179.25 178.77 2wh8 h ALA 358 N 1.49 0.81 -0.32 0.00 0.00 -1.87 -0.10 119.26 119.27 2wh8 h ALA 358 Ca 0.34 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2wh8 h ALA 358 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wh8 h ALA 358 CO -0.38 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.62 2wh8 h ALA 359 N 1.00 0.41 -0.38 0.00 0.00 -1.56 0.52 119.26 119.25 2wh8 h ALA 359 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wh8 h ALA 359 Cb 0.76 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2wh8 h ALA 359 CO 0.06 0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.54 2wh8 h ALA 360 N 0.94 0.49 -0.62 0.00 0.00 -0.72 -1.72 119.26 117.63 2wh8 h ALA 360 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 360 Cb 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2wh8 h ALA 360 CO -0.00 0.05 0.40 0.00 0.00 0.00 0.00 179.25 179.69 2wh8 h ARG 361 N 0.47 0.82 -0.37 0.00 3.08 -0.82 -1.73 114.38 115.83 2wh8 h ARG 361 Ca 0.13 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2wh8 h ARG 361 Cb 0.12 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2wh8 h ARG 361 CO -0.02 0.56 0.21 1.98 -1.07 0.00 0.00 179.97 181.63 2wh8 h MET 362 N 0.83 0.42 -0.82 0.04 4.05 -0.73 0.91 114.93 119.63 2wh8 h MET 362 Ca 0.22 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2wh8 h MET 362 Cb -0.07 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.60 2wh8 h MET 362 CO -0.05 0.28 0.44 1.96 0.23 0.00 0.00 176.91 179.77 2wh8 h GLN 363 N 0.43 1.14 -0.34 0.39 4.20 -1.00 -0.51 115.11 119.42 2wh8 h GLN 363 Ca 0.15 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2wh8 h GLN 363 Cb 0.01 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2wh8 h GLN 363 CO -0.07 0.85 0.18 0.00 -0.67 0.00 0.00 178.83 179.11 2wh8 h ARG 365 N 0.42 0.38 0.03 0.00 2.43 -0.35 0.44 114.38 117.73 2wh8 h ARG 365 Ca 0.12 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2wh8 h ARG 365 Cb 0.09 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2wh8 h ARG 365 CO -0.02 0.31 -0.01 0.28 -1.51 0.00 0.00 179.97 179.01 2wh8 h VAL 366 N 0.35 1.17 -0.55 0.20 2.07 -1.05 -0.64 116.25 117.80 2wh8 h VAL 366 Ca 0.10 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.04 2wh8 h VAL 366 Cb 0.03 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2wh8 h VAL 366 CO -0.02 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.02 2wh8 h ALA 367 N 0.64 0.71 -0.25 1.67 0.00 -1.09 -1.52 119.26 119.42 2wh8 h ALA 367 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wh8 h ALA 367 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wh8 h ALA 367 CO 0.01 -0.05 0.02 1.25 0.00 0.00 0.00 179.25 180.48 2wh8 h LEU 368 N 0.55 0.41 -0.29 0.00 5.85 -0.73 0.64 115.31 121.74 2wh8 h LEU 368 Ca 0.24 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.75 2wh8 h LEU 368 Cb 0.15 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2wh8 h LEU 368 CO -0.16 0.59 -0.14 0.74 -0.34 0.00 0.00 178.44 179.13 2wh8 h THR 369 N 0.22 0.57 -0.01 1.05 2.02 -0.93 -1.56 112.91 114.27 2wh8 h THR 369 Ca 0.07 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.09 2wh8 h THR 369 Cb 0.37 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2wh8 h THR 369 CO 0.01 0.00 -0.76 -0.33 0.37 0.00 0.00 175.52 174.81 2wh8 h GLU 370 N -0.09 0.12 -0.18 6.66 4.39 -1.18 -1.08 114.58 123.23 2wh8 h GLU 370 Ca 0.15 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2wh8 h GLU 370 Cb 0.32 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2wh8 h GLU 370 CO -0.35 0.82 0.03 1.25 -1.16 0.00 0.00 179.01 179.59 2wh8 h LEU 371 N 0.08 0.00 -0.77 1.33 5.85 -0.60 -0.20 115.31 120.99 2wh8 h LEU 371 Ca -0.02 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2wh8 h LEU 371 Cb 1.33 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2wh8 h LEU 371 CO 0.11 0.03 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.80 2wh8 h LEU 372 N 0.10 0.52 -0.41 2.25 3.38 -1.17 0.54 115.31 120.53 2wh8 h LEU 372 Ca 0.08 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 2wh8 h LEU 372 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2wh8 h LEU 372 CO -0.11 0.85 -0.77 0.00 0.09 0.00 0.00 178.44 178.49 2wh8 h ALA 373 N 1.18 0.62 0.00 1.53 0.00 -1.03 -3.35 119.26 118.21 2wh8 h ALA 373 Ca 0.04 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 2wh8 h ALA 373 Cb 0.84 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2wh8 h ALA 373 CO 0.07 0.83 -1.44 0.54 0.00 0.00 0.00 179.25 179.25 2wh8 n ARG 374 N -3.75 1.73 -2.53 0.00 1.74 -0.10 -4.77 116.66 108.98 2wh8 n ARG 374 Ca -0.03 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 2wh8 n ARG 374 Cb 0.74 -1.16 0.01 0.00 -1.02 0.00 0.00 32.46 31.02 2wh8 n ARG 374 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh8 h PRO 376 N 2.70 0.64 -4.95 0.00 0.11 -1.65 -3.29 132.00 125.56 2wh8 h PRO 376 Ca 0.17 -0.18 -0.69 0.00 0.11 0.00 0.00 66.00 65.41 2wh8 h PRO 376 Cb 1.02 -0.07 -0.18 0.00 0.11 0.00 0.00 31.00 31.88 2wh8 h PRO 376 CO 0.73 0.71 0.67 -0.51 -0.21 0.00 0.00 178.00 179.39 2wh8 s ASP 377 N -6.71 6.54 0.10 -2.05 1.11 -1.26 -5.00 116.67 109.39 2wh8 s ASP 377 Ca -0.08 -1.90 0.05 0.00 0.18 0.00 0.00 52.55 50.80 2wh8 s ASP 377 Cb 0.15 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 2wh8 s ASP 377 CO 0.79 -1.08 -0.13 0.72 1.18 0.00 0.00 175.17 176.66 2wh8 s PHE 378 N 2.66 1.23 0.03 4.23 -0.71 -1.24 -4.55 117.98 119.63 2wh8 s PHE 378 Ca 0.28 -0.57 0.05 0.00 -1.04 0.00 0.00 56.93 55.65 2wh8 s PHE 378 Cb -0.09 -0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 41.04 2wh8 s PHE 378 CO -0.05 0.07 -0.14 -1.21 -1.34 0.00 0.00 175.22 172.55 2wh8 s GLU 379 N -2.52 0.97 0.02 1.99 2.02 0.47 -4.97 118.70 116.68 2wh8 s GLU 379 Ca 0.05 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.37 2wh8 s GLU 379 Cb -0.05 -0.96 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 2wh8 s GLU 379 CO 0.02 0.24 -0.05 0.08 0.02 0.00 0.00 175.26 175.57 2wh8 s VAL 380 N -0.72 0.37 -0.32 2.63 1.01 -1.26 -1.21 120.40 120.90 2wh8 s VAL 380 Ca 0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2wh8 s VAL 380 Cb -0.07 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.95 2wh8 s VAL 380 CO 0.01 -0.17 0.06 0.00 0.00 0.00 0.00 175.10 174.99 2wh8 s ALA 381 N -0.77 2.94 0.27 5.51 0.00 -1.26 -4.98 121.76 123.46 2wh8 s ALA 381 Ca -0.05 -1.73 -0.00 0.00 0.00 0.00 0.00 51.96 50.18 2wh8 s ALA 381 Cb -0.06 -2.12 0.55 0.00 0.00 0.00 0.00 23.12 21.50 2wh8 s ALA 381 CO -0.00 -1.28 1.77 0.93 0.00 0.00 0.00 175.76 177.18 2wh8 h GLU 382 N 8.13 0.63 0.00 0.00 5.08 -1.97 -0.10 114.58 126.35 2wh8 h GLU 382 Ca -0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2wh8 h GLU 382 Cb 1.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2wh8 h GLU 382 CO 0.57 0.42 0.00 0.66 -1.00 0.00 0.00 179.01 179.66 2wh8 h SER 383 N 0.65 0.00 -0.02 1.42 4.64 -2.03 -1.34 113.55 116.87 2wh8 h SER 383 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2wh8 h SER 383 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2wh8 h SER 383 CO -0.36 0.00 -0.19 0.54 -0.87 0.00 0.00 176.83 175.95 2wh8 n ARG 384 N -2.66 1.81 -2.05 4.77 1.74 -0.07 -4.94 116.66 115.26 2wh8 n ARG 384 Ca -0.01 -1.50 -0.41 0.00 -0.77 0.00 0.00 57.85 55.16 2wh8 n ARG 384 Cb 0.11 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 2wh8 n ARG 384 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wh8 s ILE 385 N -2.10 2.74 -0.15 0.55 1.01 -0.51 -4.60 121.20 118.15 2wh8 s ILE 385 Ca 0.23 0.64 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 2wh8 s ILE 385 Cb 0.18 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2wh8 s ILE 385 CO 0.39 0.11 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 2wh8 s VAL 386 N -0.13 3.20 -0.01 2.92 1.01 -0.87 -5.00 120.40 121.51 2wh8 s VAL 386 Ca 0.58 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2wh8 s VAL 386 Cb -0.41 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2wh8 s VAL 386 CO 0.44 0.51 0.24 0.26 0.00 0.00 0.00 175.10 176.54 2wh8 s TRP 387 N 0.54 3.58 0.50 5.22 0.52 -1.26 -0.15 118.94 127.89 2wh8 s TRP 387 Ca -0.07 0.54 -0.22 0.00 0.02 0.00 0.00 56.10 56.37 2wh8 s TRP 387 Cb -0.15 -1.96 -0.06 0.00 -1.15 0.00 0.00 33.47 30.15 2wh8 s TRP 387 CO 0.03 0.64 1.24 0.45 0.02 0.00 0.00 176.95 179.33 2wh8 s SER 388 N -1.64 5.75 1.12 2.95 0.15 0.05 -4.69 113.70 117.40 2wh8 s SER 388 Ca 0.26 2.48 -0.14 0.00 0.70 0.00 0.00 55.95 59.25 2wh8 s SER 388 Cb -0.13 -2.61 0.26 0.00 -1.71 0.00 0.00 66.02 61.82 2wh8 s SER 388 CO 0.15 -1.22 1.05 -0.83 1.20 0.00 0.00 173.24 173.59 2wh8 s GLY 389 N -1.24 1.54 0.00 9.45 0.00 -1.26 -4.16 107.32 111.65 2wh8 s GLY 389 Ca 0.68 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2wh8 s GLY 389 CO 0.39 0.37 0.00 0.61 0.00 0.00 0.00 173.10 174.47 2wh8 n GLY 390 N -0.07 2.67 0.59 0.20 0.00 -1.24 -4.89 105.19 102.45 2wh8 n GLY 390 Ca 0.04 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.62 2wh8 n GLY 390 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wh8 n SER 391 N 0.00 1.99 -0.06 1.61 7.64 -1.26 -4.51 113.62 119.04 2wh8 n SER 391 Ca 0.00 -1.55 -0.08 0.00 1.01 0.00 0.00 58.87 58.25 2wh8 n SER 391 Cb 0.00 0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 2wh8 n SER 391 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2wh8 n TYR 392 N 0.36 0.00 -4.51 1.43 4.01 -1.26 -4.45 117.16 112.74 2wh8 n TYR 392 Ca 0.14 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.55 2wh8 n TYR 392 Cb 0.45 -0.48 -0.12 0.00 -0.31 0.00 0.00 39.34 38.89 2wh8 n TYR 392 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wh8 s VAL 393 N -2.25 3.75 -0.40 -0.72 1.01 -1.26 -0.57 120.40 119.97 2wh8 s VAL 393 Ca -0.15 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2wh8 s VAL 393 Cb 0.04 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.88 2wh8 s VAL 393 CO 0.30 0.53 0.23 -0.60 0.00 0.00 0.00 175.10 175.56 2wh8 s ARG 394 N -0.01 2.65 -0.07 2.72 3.52 0.66 -4.82 118.95 123.60 2wh8 s ARG 394 Ca 0.00 -1.33 -0.08 0.00 -0.13 0.00 0.00 55.73 54.19 2wh8 s ARG 394 Cb -0.13 -3.72 0.02 0.00 -1.56 0.00 0.00 34.95 29.55 2wh8 s ARG 394 CO 0.03 -0.85 0.22 -0.98 -0.81 0.00 0.00 175.30 172.91 2wh8 s ARG 395 N 1.45 0.31 0.28 5.12 1.04 -1.26 -4.58 118.95 121.31 2wh8 s ARG 395 Ca 0.02 0.21 -0.29 0.00 -1.04 0.00 0.00 55.73 54.64 2wh8 s ARG 395 Cb -0.22 0.14 -0.09 0.00 -2.04 0.00 0.00 34.95 32.75 2wh8 s ARG 395 CO 0.03 -0.05 1.05 -1.25 -0.04 0.00 0.00 175.30 175.04 2wh8 s PRO 396 N -0.11 4.65 0.09 3.89 0.04 -1.26 -0.77 135.00 141.53 2wh8 s PRO 396 Ca -0.02 1.67 0.08 0.00 0.04 0.00 0.00 61.00 62.77 2wh8 s PRO 396 Cb -0.02 -3.14 -0.21 0.00 0.04 0.00 0.00 34.50 31.17 2wh8 s PRO 396 CO 0.01 0.26 1.17 -0.07 0.04 0.00 0.00 177.00 178.41 2wh8 h LEU 397 N 3.75 0.00 -7.37 -3.56 3.38 -0.83 -3.45 115.31 107.24 2wh8 h LEU 397 Ca -0.46 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 2wh8 h LEU 397 Cb 1.21 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.68 2wh8 h LEU 397 CO 0.67 1.00 -0.43 -0.55 0.09 0.00 0.00 178.44 179.21 2wh8 s SER 398 N -6.59 -0.30 -0.35 -0.43 0.15 -1.09 -4.54 113.70 100.54 2wh8 s SER 398 Ca -0.00 0.58 -0.00 0.00 0.70 0.00 0.00 55.95 57.23 2wh8 s SER 398 Cb 0.10 0.51 0.12 0.00 -1.71 0.00 0.00 66.02 65.04 2wh8 s SER 398 CO 0.82 -0.14 0.18 -0.69 1.20 0.00 0.00 173.24 174.60 2wh8 s VAL 399 N 0.85 0.62 0.33 4.45 1.01 -1.26 -2.04 120.40 124.35 2wh8 s VAL 399 Ca -0.06 -1.69 -0.29 0.00 0.00 0.00 0.00 61.98 59.94 2wh8 s VAL 399 Cb -0.07 -1.46 -0.12 0.00 0.00 0.00 0.00 36.38 34.74 2wh8 s VAL 399 CO -0.06 -0.84 1.52 -2.65 0.00 0.00 0.00 175.10 173.07 2wh8 n PRO 400 N 4.31 2.61 -3.76 2.72 -0.02 -1.26 -2.29 135.00 137.31 2wh8 n PRO 400 Ca 0.05 0.92 -0.19 0.00 -2.02 0.00 0.00 63.50 62.26 2wh8 n PRO 400 Cb 0.38 -2.66 -0.17 0.00 -0.02 0.00 0.00 33.50 31.03 2wh8 n PRO 400 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wh8 s PHE 401 N -0.52 0.20 -0.02 6.00 5.36 0.17 -4.28 117.98 124.90 2wh8 s PHE 401 Ca 0.59 0.11 0.08 0.00 -0.96 0.00 0.00 56.93 56.75 2wh8 s PHE 401 Cb -0.50 -0.46 -0.02 0.00 -0.34 0.00 0.00 43.02 41.69 2wh8 s PHE 401 CO 0.56 -0.18 -0.25 -0.98 -1.46 0.00 0.00 175.22 172.91 2wh8 s ARG 402 N 1.67 2.13 0.00 10.12 1.04 -0.35 -0.91 118.95 132.66 2wh8 s ARG 402 Ca -0.01 -0.92 0.00 0.00 -1.04 0.00 0.00 55.73 53.76 2wh8 s ARG 402 Cb -0.13 -2.08 0.00 0.00 -2.04 0.00 0.00 34.95 30.71 2wh8 s ARG 402 CO -0.03 0.56 0.30 1.33 -0.04 0.00 0.00 175.30 177.42