#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw4 s ASP 8 N 0.00 6.25 0.56 4.52 3.68 -1.26 -4.86 116.67 125.56 2bw4 s ASP 8 Ca 0.00 -0.60 0.24 0.00 2.13 0.00 0.00 52.55 54.32 2bw4 s ASP 8 Cb 0.00 -2.45 1.52 0.00 -1.45 0.00 0.00 42.92 40.54 2bw4 s ASP 8 CO 0.00 -1.41 2.14 0.40 0.13 0.00 0.00 175.17 176.43 2bw4 h ILE 9 N 6.01 0.71 0.00 4.11 2.04 -2.05 -1.50 117.51 126.83 2bw4 h ILE 9 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2bw4 h ILE 9 Cb 1.07 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2bw4 h ILE 9 CO 1.16 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 177.77 2bw4 n SER 10 N -4.16 0.41 0.00 1.72 3.41 -1.26 -1.70 113.62 112.05 2bw4 n SER 10 Ca 0.00 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 2bw4 n SER 10 Cb 0.23 -0.71 0.50 0.00 -0.26 0.00 0.00 64.21 63.97 2bw4 n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bw4 n THR 11 N -1.99 0.00 -2.96 6.66 -2.24 -0.56 -4.90 114.28 108.28 2bw4 n THR 11 Ca 0.01 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 2bw4 n THR 11 Cb 0.13 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 2bw4 n THR 11 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bw4 s LEU 12 N -3.00 3.91 0.56 3.22 1.43 -0.69 -5.04 118.68 119.07 2bw4 s LEU 12 Ca 0.13 1.16 -0.21 0.00 -1.03 0.00 0.00 54.13 54.18 2bw4 s LEU 12 Cb 0.18 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2bw4 s LEU 12 CO 0.59 -0.33 1.30 -2.65 0.23 0.00 0.00 176.35 175.49 2bw4 n PRO 13 N -0.99 1.53 -4.64 1.29 -0.02 -1.26 -4.79 135.00 126.11 2bw4 n PRO 13 Ca 0.03 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 2bw4 n PRO 13 Cb 0.54 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 2bw4 n PRO 13 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2bw4 s ARG 14 N -2.92 2.89 -0.05 -0.52 0.52 -1.26 -1.02 118.95 116.59 2bw4 s ARG 14 Ca 0.73 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 2bw4 s ARG 14 Cb -0.42 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.46 2bw4 s ARG 14 CO 0.48 0.57 -0.08 0.08 0.02 0.00 0.00 175.30 176.37 2bw4 s VAL 15 N -0.56 0.78 -0.19 3.52 1.01 -0.55 -4.98 120.40 119.42 2bw4 s VAL 15 Ca 0.08 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 2bw4 s VAL 15 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2bw4 s VAL 15 CO 0.02 0.27 0.30 -0.75 0.00 0.00 0.00 175.10 174.93 2bw4 s LYS 16 N 0.68 4.19 -0.09 2.72 2.20 -1.26 -0.56 119.74 127.62 2bw4 s LYS 16 Ca -0.11 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.43 2bw4 s LYS 16 Cb -0.14 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 2bw4 s LYS 16 CO 0.01 0.11 0.28 0.08 -0.36 0.00 0.00 175.35 175.47 2bw4 s VAL 17 N 0.87 5.27 -0.37 4.02 1.01 -0.17 -4.93 120.40 126.11 2bw4 s VAL 17 Ca 0.15 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 2bw4 s VAL 17 Cb -0.14 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2bw4 s VAL 17 CO 0.05 0.54 0.17 -1.81 0.00 0.00 0.00 175.10 174.06 2bw4 s ASP 18 N -0.66 5.53 0.75 3.32 1.01 -1.26 -4.65 116.67 120.71 2bw4 s ASP 18 Ca 0.19 -1.17 -0.11 0.00 0.71 0.00 0.00 52.55 52.16 2bw4 s ASP 18 Cb -0.14 -1.95 0.05 0.00 1.01 0.00 0.00 42.92 41.89 2bw4 s ASP 18 CO 0.07 -0.39 1.09 -0.76 0.21 0.00 0.00 175.17 175.39 2bw4 s LEU 19 N 1.46 3.09 0.21 1.23 1.43 -1.26 -4.79 118.68 120.04 2bw4 s LEU 19 Ca 0.01 1.84 0.11 0.00 -1.03 0.00 0.00 54.13 55.05 2bw4 s LEU 19 Cb -0.20 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.45 2bw4 s LEU 19 CO 0.04 -1.94 -0.21 -0.69 0.23 0.00 0.00 176.35 173.77 2bw4 s VAL 20 N -2.82 2.24 0.13 -1.59 1.01 -1.26 -4.99 120.40 113.12 2bw4 s VAL 20 Ca 0.62 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.19 2bw4 s VAL 20 Cb -0.17 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 2bw4 s VAL 20 CO 0.54 -0.26 1.02 -0.75 0.00 0.00 0.00 175.10 175.65 2bw4 s LYS 21 N -2.96 4.65 0.59 2.72 2.20 -1.26 -4.62 119.74 121.07 2bw4 s LYS 21 Ca 0.22 1.55 -0.19 0.00 -0.36 0.00 0.00 55.97 57.19 2bw4 s LYS 21 Cb -0.06 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 2bw4 s LYS 21 CO 0.10 0.15 1.00 -0.35 -0.36 0.00 0.00 175.35 175.89 2bw4 n PRO 22 N 2.70 0.97 -0.04 4.03 -0.04 -1.26 -2.20 135.00 139.16 2bw4 n PRO 22 Ca 0.03 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 2bw4 n PRO 22 Cb 0.48 -2.20 0.48 0.00 -0.04 0.00 0.00 33.50 32.23 2bw4 n PRO 22 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2bw4 n PRO 23 N -0.98 1.54 -1.49 0.54 -0.04 -1.26 -5.04 135.00 128.28 2bw4 n PRO 23 Ca 0.13 -0.81 -0.30 0.00 -0.04 0.00 0.00 63.50 62.49 2bw4 n PRO 23 Cb 0.47 -1.41 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 2bw4 n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2bw4 s PHE 24 N -1.89 2.70 -0.02 0.54 0.08 -0.93 -0.70 117.98 117.77 2bw4 s PHE 24 Ca 0.34 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.53 2bw4 s PHE 24 Cb 0.18 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.48 2bw4 s PHE 24 CO 0.28 -1.95 -0.03 0.08 -0.10 0.00 0.00 175.22 173.49 2bw4 s VAL 25 N -3.13 0.32 0.31 -0.44 1.01 -1.26 -4.64 120.40 112.57 2bw4 s VAL 25 Ca 0.62 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2bw4 s VAL 25 Cb -0.15 -0.32 -0.12 0.00 0.00 0.00 0.00 36.38 35.78 2bw4 s VAL 25 CO 0.55 0.13 1.36 0.00 0.00 0.00 0.00 175.10 177.13 2bw4 n HIS 26 N 3.44 2.34 -1.63 5.22 1.44 -1.26 -4.89 115.22 119.88 2bw4 n HIS 26 Ca -0.18 0.49 -0.42 0.00 -2.01 0.00 0.00 57.72 55.59 2bw4 n HIS 26 Cb 0.55 -2.45 0.00 0.00 0.12 0.00 0.00 29.99 28.21 2bw4 n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bw4 n ALA 27 N 0.94 0.40 -3.83 1.59 0.00 -1.26 -4.97 120.51 113.36 2bw4 n ALA 27 Ca 0.07 0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 2bw4 n ALA 27 Cb 0.35 -2.12 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 2bw4 n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2bw4 s HIS 28 N -1.19 -0.08 -0.16 0.00 -3.43 -1.26 -5.06 115.29 104.12 2bw4 s HIS 28 Ca 0.61 -0.43 -0.07 0.00 -0.80 0.00 0.00 55.06 54.36 2bw4 s HIS 28 Cb -0.59 0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 2bw4 s HIS 28 CO 0.59 -1.28 0.09 -0.51 -2.00 0.00 0.00 174.74 171.63 2bw4 s ASP 29 N -2.99 5.93 -0.01 7.38 1.01 -1.26 -5.02 116.67 121.71 2bw4 s ASP 29 Ca 0.13 0.22 -0.25 0.00 0.71 0.00 0.00 52.55 53.37 2bw4 s ASP 29 Cb -0.05 -1.97 -0.18 0.00 1.01 0.00 0.00 42.92 41.73 2bw4 s ASP 29 CO 0.08 0.26 1.23 1.56 0.21 0.00 0.00 175.17 178.50 2bw4 h GLN 30 N 6.10 -0.19 -5.68 8.23 4.20 -1.97 -3.42 115.11 122.39 2bw4 h GLN 30 Ca -0.44 0.01 -0.58 0.00 0.06 0.00 0.00 58.65 57.70 2bw4 h GLN 30 Cb 1.18 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.92 2bw4 h GLN 30 CO 0.67 0.19 -0.15 0.08 -0.67 0.00 0.00 178.83 178.95 2bw4 s VAL 31 N -4.42 5.20 0.08 -0.54 1.01 -1.26 -3.40 120.40 117.07 2bw4 s VAL 31 Ca -0.15 0.90 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 2bw4 s VAL 31 Cb 0.02 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2bw4 s VAL 31 CO 0.59 0.32 1.65 0.00 0.00 0.00 0.00 175.10 177.66 2bw4 s ALA 32 N 0.72 3.70 -2.33 5.51 0.00 0.20 -4.88 121.76 124.67 2bw4 s ALA 32 Ca 0.24 1.24 0.26 0.00 0.00 0.00 0.00 51.96 53.70 2bw4 s ALA 32 Cb -0.15 -3.69 0.67 0.00 0.00 0.00 0.00 23.12 19.95 2bw4 s ALA 32 CO 0.09 -1.07 1.52 1.63 0.00 0.00 0.00 175.76 177.93 2bw4 n LYS 33 N 5.40 1.51 -4.35 0.00 5.02 -1.26 -4.92 118.16 119.56 2bw4 n LYS 33 Ca 0.16 -1.03 -0.20 0.00 -2.02 0.00 0.00 58.31 55.22 2bw4 n LYS 33 Cb 0.40 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2bw4 n LYS 33 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2bw4 s THR 34 N -2.20 0.28 0.00 -0.18 -4.23 -1.26 -5.17 115.64 102.88 2bw4 s THR 34 Ca 0.30 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2bw4 s THR 34 Cb 0.20 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2bw4 s THR 34 CO 0.41 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2bw4 n GLY 35 N -0.63 -2.04 3.76 3.99 0.00 -1.26 -4.98 105.19 104.02 2bw4 n GLY 35 Ca 0.01 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 2bw4 n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bw4 s PRO 36 N -2.17 3.42 0.12 1.61 0.04 -1.26 -5.01 135.00 131.75 2bw4 s PRO 36 Ca 0.00 2.24 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2bw4 s PRO 36 Cb 0.00 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2bw4 s PRO 36 CO 0.00 -0.97 -0.09 1.03 0.04 0.00 0.00 177.00 177.01 2bw4 s ARG 37 N -2.70 0.96 -0.37 4.56 0.52 -1.26 -4.35 118.95 116.30 2bw4 s ARG 37 Ca 0.67 -1.37 -0.21 0.00 -0.52 0.00 0.00 55.73 54.29 2bw4 s ARG 37 Cb -0.40 -0.47 0.01 0.00 0.52 0.00 0.00 34.95 34.60 2bw4 s ARG 37 CO 0.49 0.05 0.69 0.08 0.02 0.00 0.00 175.30 176.63 2bw4 s VAL 38 N -3.31 4.82 -0.31 3.52 1.01 -0.19 -1.01 120.40 124.95 2bw4 s VAL 38 Ca 0.14 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 2bw4 s VAL 38 Cb 0.03 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2bw4 s VAL 38 CO -0.01 -0.39 0.24 -0.69 0.00 0.00 0.00 175.10 174.25 2bw4 s VAL 39 N 2.87 5.28 -0.25 2.92 1.01 0.51 -1.48 120.40 131.25 2bw4 s VAL 39 Ca 0.27 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 2bw4 s VAL 39 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2bw4 s VAL 39 CO 0.16 0.11 0.23 -1.61 0.00 0.00 0.00 175.10 173.99 2bw4 s GLU 40 N 1.79 4.04 0.13 2.72 2.02 0.28 -0.96 118.70 128.73 2bw4 s GLU 40 Ca 0.08 -0.18 0.10 0.00 0.02 0.00 0.00 54.97 54.99 2bw4 s GLU 40 Cb -0.17 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 2bw4 s GLU 40 CO 0.11 -0.07 -0.25 -0.06 0.02 0.00 0.00 175.26 175.01 2bw4 s PHE 41 N 1.43 2.19 -0.01 1.61 0.40 -0.08 -1.00 117.98 122.52 2bw4 s PHE 41 Ca 0.10 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 2bw4 s PHE 41 Cb -0.15 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.21 2bw4 s PHE 41 CO 0.08 0.33 -0.07 -0.08 0.70 0.00 0.00 175.22 176.18 2bw4 s THR 42 N -1.19 0.56 0.02 0.64 -1.32 -1.26 -0.77 115.64 112.32 2bw4 s THR 42 Ca 0.13 -0.28 0.03 0.00 -1.21 0.00 0.00 61.69 60.36 2bw4 s THR 42 Cb -0.10 -0.49 -0.01 0.00 -1.51 0.00 0.00 72.50 70.39 2bw4 s THR 42 CO 0.06 0.17 -0.09 -0.04 -2.21 0.00 0.00 174.62 172.52 2bw4 s MET 43 N 0.01 0.64 -0.20 7.08 -1.94 -0.38 -4.92 119.30 119.59 2bw4 s MET 43 Ca 0.00 -0.49 -0.03 0.00 -1.71 0.00 0.00 55.69 53.47 2bw4 s MET 43 Cb -0.05 -0.58 -0.01 0.00 2.01 0.00 0.00 34.83 36.21 2bw4 s MET 43 CO -0.00 0.15 -0.08 0.99 -0.01 0.00 0.00 175.02 176.07 2bw4 s THR 44 N -0.62 3.17 0.26 2.05 2.01 -1.26 -1.25 115.64 120.01 2bw4 s THR 44 Ca -0.01 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2bw4 s THR 44 Cb -0.06 -2.41 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 2bw4 s THR 44 CO 0.00 0.46 1.26 -0.63 -0.69 0.00 0.00 174.62 175.02 2bw4 s ILE 45 N 1.22 3.11 -0.10 1.82 1.01 0.04 -0.64 121.20 127.66 2bw4 s ILE 45 Ca 0.02 1.02 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 2bw4 s ILE 45 Cb -0.14 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.71 2bw4 s ILE 45 CO -0.03 0.20 0.00 -1.61 0.00 0.00 0.00 174.94 173.51 2bw4 s GLU 46 N -0.99 0.66 -0.08 2.79 2.02 -0.15 -4.47 118.70 118.47 2bw4 s GLU 46 Ca 0.51 -0.01 -0.25 0.00 0.02 0.00 0.00 54.97 55.24 2bw4 s GLU 46 Cb -0.36 -1.23 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 2bw4 s GLU 46 CO 0.44 -0.37 0.79 -1.21 0.02 0.00 0.00 175.26 174.93 2bw4 s GLU 47 N 1.94 4.42 0.06 1.61 2.02 -1.26 -1.45 118.70 126.03 2bw4 s GLU 47 Ca 0.04 1.02 -0.22 0.00 0.02 0.00 0.00 54.97 55.82 2bw4 s GLU 47 Cb -0.13 -3.49 0.05 0.00 0.10 0.00 0.00 34.13 30.67 2bw4 s GLU 47 CO -0.06 -0.07 0.53 -1.59 0.02 0.00 0.00 175.26 174.09 2bw4 s LYS 48 N 1.22 1.06 0.29 1.61 -2.85 -0.67 -4.98 119.74 115.42 2bw4 s LYS 48 Ca 0.40 -0.26 -0.29 0.00 -1.00 0.00 0.00 55.97 54.83 2bw4 s LYS 48 Cb -0.18 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 2bw4 s LYS 48 CO 0.18 -0.39 1.09 0.15 0.10 0.00 0.00 175.35 176.48 2bw4 s LYS 49 N -2.57 4.60 -0.02 1.78 1.02 -1.26 -0.30 119.74 122.99 2bw4 s LYS 49 Ca -0.05 1.77 0.01 0.00 0.02 0.00 0.00 55.97 57.72 2bw4 s LYS 49 Cb -0.01 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2bw4 s LYS 49 CO -0.03 0.19 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.04 2bw4 s LEU 50 N -1.56 1.71 -0.22 3.17 1.43 -0.32 -4.89 118.68 118.00 2bw4 s LEU 50 Ca 0.46 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 2bw4 s LEU 50 Cb -0.31 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 2bw4 s LEU 50 CO 0.39 0.01 0.56 -0.69 0.23 0.00 0.00 176.35 176.86 2bw4 s VAL 51 N 0.31 5.06 -0.78 -1.59 1.01 -1.26 -0.91 120.40 122.24 2bw4 s VAL 51 Ca -0.03 1.03 0.10 0.00 0.00 0.00 0.00 61.98 63.08 2bw4 s VAL 51 Cb -0.07 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2bw4 s VAL 51 CO -0.00 0.12 0.56 2.30 0.00 0.00 0.00 175.10 178.08 2bw4 n ILE 52 N 4.82 0.00 -4.11 2.22 -5.35 -0.32 -4.84 119.36 111.79 2bw4 n ILE 52 Ca -0.03 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 2bw4 n ILE 52 Cb 0.50 1.08 -0.06 0.00 -1.74 0.00 0.00 39.64 39.41 2bw4 n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2bw4 s ASP 53 N -1.63 0.56 0.45 7.28 1.47 -1.26 -0.91 116.67 122.64 2bw4 s ASP 53 Ca 0.07 -1.34 0.29 0.00 1.18 0.00 0.00 52.55 52.74 2bw4 s ASP 53 Cb 0.08 0.58 1.03 0.00 -0.34 0.00 0.00 42.92 44.27 2bw4 s ASP 53 CO 0.32 -1.14 1.84 0.03 0.68 0.00 0.00 175.17 176.90 2bw4 h ARG 54 N 2.26 0.00 0.00 2.11 2.47 -1.96 -2.65 114.38 116.61 2bw4 h ARG 54 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2bw4 h ARG 54 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2bw4 h ARG 54 CO 0.41 0.00 0.00 0.39 0.56 0.00 0.00 179.97 181.33 2bw4 n GLU 55 N -2.88 0.15 -0.43 0.04 4.71 -1.26 -4.92 120.64 116.06 2bw4 n GLU 55 Ca 0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 2bw4 n GLU 55 Cb 0.35 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 2bw4 n GLU 55 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bw4 n GLY 56 N 0.86 0.77 3.70 0.62 0.00 -1.00 -5.03 105.19 105.11 2bw4 n GLY 56 Ca 0.05 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2bw4 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bw4 s THR 57 N -2.00 2.32 -0.13 2.61 2.01 -1.26 -4.84 115.64 114.35 2bw4 s THR 57 Ca 0.00 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.03 2bw4 s THR 57 Cb 0.00 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 2bw4 s THR 57 CO 0.00 0.00 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.07 2bw4 s GLU 58 N 2.13 3.29 0.36 4.92 2.12 -1.26 -1.17 118.70 129.10 2bw4 s GLU 58 Ca 0.79 -0.74 0.09 0.00 0.36 0.00 0.00 54.97 55.47 2bw4 s GLU 58 Cb -0.48 -2.56 -0.06 0.00 0.26 0.00 0.00 34.13 31.29 2bw4 s GLU 58 CO 0.35 0.18 0.01 0.96 -0.54 0.00 0.00 175.26 176.21 2bw4 s ILE 59 N 0.42 2.38 -0.58 -3.70 -4.36 -0.09 -4.93 121.20 110.34 2bw4 s ILE 59 Ca -0.12 -1.99 -0.18 0.00 -0.26 0.00 0.00 60.65 58.09 2bw4 s ILE 59 Cb -0.16 -2.83 0.10 0.00 1.25 0.00 0.00 42.46 40.83 2bw4 s ILE 59 CO 0.06 -0.14 0.67 -1.00 0.24 0.00 0.00 174.94 174.77 2bw4 s HIS 60 N -2.58 3.03 0.37 1.37 3.76 -1.26 -1.17 115.29 118.81 2bw4 s HIS 60 Ca 0.35 -0.98 -0.08 0.00 -0.15 0.00 0.00 55.06 54.20 2bw4 s HIS 60 Cb 0.03 -3.95 -0.06 0.00 1.11 0.00 0.00 32.58 29.71 2bw4 s HIS 60 CO 0.19 -1.24 0.69 0.00 -0.85 0.00 0.00 174.74 173.53 2bw4 s ALA 61 N 2.53 3.46 -0.17 -1.40 0.00 0.59 -4.93 121.76 121.84 2bw4 s ALA 61 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2bw4 s ALA 61 Cb -0.25 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.36 2bw4 s ALA 61 CO 0.06 0.03 -0.13 -1.64 0.00 0.00 0.00 175.76 174.09 2bw4 s MET 62 N -3.86 2.20 0.10 0.00 -1.94 -0.29 -1.67 119.30 113.84 2bw4 s MET 62 Ca 0.48 -0.65 0.07 0.00 -1.71 0.00 0.00 55.69 53.88 2bw4 s MET 62 Cb -0.10 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 2bw4 s MET 62 CO 0.33 -0.30 -0.18 0.95 -0.01 0.00 0.00 175.02 175.80 2bw4 s THR 63 N 1.46 1.54 -0.29 2.05 -4.23 -0.53 -1.96 115.64 113.67 2bw4 s THR 63 Ca 0.03 -1.53 -0.19 0.00 -1.18 0.00 0.00 61.69 58.81 2bw4 s THR 63 Cb -0.14 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.23 2bw4 s THR 63 CO -0.10 -0.16 0.59 -0.36 -0.54 0.00 0.00 174.62 174.05 2bw4 s PHE 64 N -1.36 3.23 -0.83 3.99 0.08 -1.26 -0.98 117.98 120.85 2bw4 s PHE 64 Ca 0.05 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.68 2bw4 s PHE 64 Cb -0.09 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 2bw4 s PHE 64 CO 0.04 -0.42 0.00 0.09 -0.10 0.00 0.00 175.22 174.83 2bw4 n ASN 65 N 5.77 -4.45 0.00 1.36 4.13 0.19 -3.35 115.26 118.92 2bw4 n ASN 65 Ca -0.02 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.43 2bw4 n ASN 65 Cb 0.49 -2.63 0.00 0.00 -1.54 0.00 0.00 39.78 36.10 2bw4 n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bw4 n GLY 66 N -1.36 0.72 3.32 7.41 0.00 -1.26 -4.99 105.19 109.04 2bw4 n GLY 66 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2bw4 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bw4 s SER 67 N -2.94 2.60 -0.21 1.61 1.04 -1.21 -5.02 113.70 109.57 2bw4 s SER 67 Ca 0.00 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.57 2bw4 s SER 67 Cb 0.00 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.00 2bw4 s SER 67 CO 0.00 -0.06 -0.16 -0.69 0.98 0.00 0.00 173.24 173.31 2bw4 s VAL 68 N -2.16 2.22 1.02 5.02 1.01 -1.26 -3.08 120.40 123.17 2bw4 s VAL 68 Ca 0.16 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 2bw4 s VAL 68 Cb -0.05 -2.04 0.20 0.00 0.00 0.00 0.00 36.38 34.49 2bw4 s VAL 68 CO 0.06 0.37 1.09 -2.16 0.00 0.00 0.00 175.10 174.47 2bw4 s PRO 69 N 1.26 0.25 1.02 2.72 0.04 -1.26 -1.98 135.00 137.04 2bw4 s PRO 69 Ca 0.01 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 61.42 2bw4 s PRO 69 Cb -0.15 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 32.87 2bw4 s PRO 69 CO -0.10 -2.85 1.08 0.20 0.04 0.00 0.00 177.00 175.38 2bw4 s GLY 70 N -3.43 1.61 0.56 0.56 0.00 0.12 -4.72 107.32 102.02 2bw4 s GLY 70 Ca 0.66 0.14 -0.18 0.00 0.00 0.00 0.00 44.72 45.34 2bw4 s GLY 70 CO 0.58 0.70 1.08 2.56 0.00 0.00 0.00 173.10 178.03 2bw4 s PRO 71 N -4.63 3.37 -0.05 2.90 0.04 -1.26 -4.46 135.00 130.91 2bw4 s PRO 71 Ca 0.67 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 2bw4 s PRO 71 Cb -0.23 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2bw4 s PRO 71 CO 0.61 -0.80 1.22 -1.17 0.04 0.00 0.00 177.00 176.90 2bw4 s LEU 72 N -4.06 4.28 -0.04 -3.56 2.96 -1.26 -4.28 118.68 112.72 2bw4 s LEU 72 Ca 0.68 1.85 -0.13 0.00 -0.22 0.00 0.00 54.13 56.31 2bw4 s LEU 72 Cb -0.19 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 2bw4 s LEU 72 CO 0.30 -0.59 0.34 -0.04 -1.32 0.00 0.00 176.35 175.04 2bw4 s MET 73 N 2.20 3.84 -0.07 1.98 -1.94 -0.92 -4.53 119.30 119.86 2bw4 s MET 73 Ca 0.57 0.28 0.01 0.00 -1.71 0.00 0.00 55.69 54.83 2bw4 s MET 73 Cb -0.25 -3.23 0.02 0.00 2.01 0.00 0.00 34.83 33.38 2bw4 s MET 73 CO 0.23 0.68 -0.08 0.08 -0.01 0.00 0.00 175.02 175.91 2bw4 s VAL 74 N -0.95 0.91 0.33 -6.03 1.01 -1.26 0.12 120.40 114.53 2bw4 s VAL 74 Ca 0.21 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2bw4 s VAL 74 Cb -0.15 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2bw4 s VAL 74 CO 0.11 0.32 0.20 1.33 0.00 0.00 0.00 175.10 177.06 2bw4 n VAL 75 N 4.23 0.00 -4.23 2.92 0.24 -0.16 -4.99 118.33 116.34 2bw4 n VAL 75 Ca -0.20 -2.16 -0.23 0.00 -2.04 0.00 0.00 64.34 59.71 2bw4 n VAL 75 Cb 0.51 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 2bw4 n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2bw4 s HIS 76 N -3.09 2.84 0.18 6.34 3.76 -1.26 -0.65 115.29 123.41 2bw4 s HIS 76 Ca 0.28 -0.18 -0.33 0.00 -0.15 0.00 0.00 55.06 54.68 2bw4 s HIS 76 Cb 0.01 -1.27 -0.14 0.00 1.11 0.00 0.00 32.58 32.29 2bw4 s HIS 76 CO 0.20 0.58 1.47 -1.91 -0.85 0.00 0.00 174.74 174.23 2bw4 n GLU 77 N -0.95 1.93 -0.95 1.40 2.13 0.16 -1.26 120.64 123.10 2bw4 n GLU 77 Ca -0.07 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2bw4 n GLU 77 Cb 0.58 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.90 2bw4 n GLU 77 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bw4 n ASN 78 N 2.80 -0.29 -4.70 4.31 3.02 0.34 -4.77 115.26 115.97 2bw4 n ASN 78 Ca 0.15 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.40 2bw4 n ASN 78 Cb 0.28 -0.30 0.15 0.00 -0.61 0.00 0.00 39.78 39.30 2bw4 n ASN 78 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2bw4 s ASP 79 N -2.82 3.29 -0.14 6.41 1.01 -0.39 -4.67 116.67 119.36 2bw4 s ASP 79 Ca 0.00 1.58 -0.06 0.00 0.71 0.00 0.00 52.55 54.78 2bw4 s ASP 79 Cb 0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2bw4 s ASP 79 CO 0.00 -2.76 0.06 -0.31 0.21 0.00 0.00 175.17 172.36 2bw4 s TYR 80 N -2.87 3.29 -0.25 4.23 1.51 -0.18 -0.87 117.35 122.22 2bw4 s TYR 80 Ca 0.64 0.19 -0.14 0.00 -1.01 0.00 0.00 57.07 56.74 2bw4 s TYR 80 Cb -0.19 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 2bw4 s TYR 80 CO 0.58 0.35 0.34 0.08 -1.11 0.00 0.00 175.55 175.78 2bw4 s VAL 81 N -0.24 5.21 -0.29 0.71 1.01 0.42 -0.36 120.40 126.87 2bw4 s VAL 81 Ca 0.08 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.60 2bw4 s VAL 81 Cb -0.12 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.66 2bw4 s VAL 81 CO 0.01 0.21 -0.05 -0.70 0.00 0.00 0.00 175.10 174.57 2bw4 s GLU 82 N 1.76 2.13 -0.21 2.72 2.12 -0.13 -1.13 118.70 125.96 2bw4 s GLU 82 Ca 0.14 -1.44 -0.06 0.00 0.36 0.00 0.00 54.97 53.97 2bw4 s GLU 82 Cb -0.15 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 2bw4 s GLU 82 CO 0.09 -0.66 0.02 -1.17 -0.54 0.00 0.00 175.26 173.00 2bw4 s LEU 83 N 1.09 3.34 -0.30 2.70 2.96 0.25 -0.91 118.68 127.81 2bw4 s LEU 83 Ca -0.04 -0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 2bw4 s LEU 83 Cb -0.20 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 2bw4 s LEU 83 CO -0.05 0.05 0.73 -0.13 -1.32 0.00 0.00 176.35 175.63 2bw4 s ARG 84 N 1.09 3.96 -0.20 1.98 0.52 0.05 -1.09 118.95 125.26 2bw4 s ARG 84 Ca 0.03 0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 55.71 2bw4 s ARG 84 Cb -0.14 -3.72 -0.01 0.00 0.52 0.00 0.00 34.95 31.60 2bw4 s ARG 84 CO 0.02 -0.62 -0.07 -1.17 0.02 0.00 0.00 175.30 173.48 2bw4 s LEU 85 N 2.81 2.80 -0.14 2.53 2.96 0.30 -1.25 118.68 128.68 2bw4 s LEU 85 Ca 0.30 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2bw4 s LEU 85 Cb -0.14 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2bw4 s LEU 85 CO 0.12 0.01 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.41 2bw4 s ILE 86 N 1.30 3.18 -0.48 6.68 1.01 -0.38 -1.32 121.20 131.18 2bw4 s ILE 86 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2bw4 s ILE 86 Cb -0.14 -2.35 0.13 0.00 0.01 0.00 0.00 42.46 40.10 2bw4 s ILE 86 CO -0.03 0.51 0.25 0.21 0.00 0.00 0.00 174.94 175.88 2bw4 s ASN 87 N 0.47 4.90 0.75 3.58 2.47 -0.11 -0.78 114.94 126.22 2bw4 s ASN 87 Ca -0.08 -2.55 -0.15 0.00 0.42 0.00 0.00 52.86 50.50 2bw4 s ASN 87 Cb -0.15 -1.74 0.05 0.00 -1.45 0.00 0.00 41.25 37.95 2bw4 s ASN 87 CO 0.04 -0.38 1.23 -0.81 -3.72 0.00 0.00 177.10 173.47 2bw4 n PRO 88 N 3.82 0.53 0.00 0.43 -0.04 -1.26 -0.32 135.00 138.16 2bw4 n PRO 88 Ca 0.04 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2bw4 n PRO 88 Cb 0.38 -2.47 0.39 0.00 -0.04 0.00 0.00 33.50 31.75 2bw4 n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bw4 n ASP 89 N -2.75 0.00 0.09 3.54 5.68 -1.26 -1.65 116.55 120.19 2bw4 n ASP 89 Ca 0.14 -0.12 0.13 0.00 -0.50 0.00 0.00 54.79 54.44 2bw4 n ASP 89 Cb 0.49 -0.18 0.44 0.00 -1.14 0.00 0.00 41.12 40.73 2bw4 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2bw4 n THR 90 N -1.18 0.52 -2.15 2.12 -2.24 -1.26 -4.81 114.28 105.28 2bw4 n THR 90 Ca 0.08 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 2bw4 n THR 90 Cb 0.09 -0.59 0.04 0.00 -2.10 0.00 0.00 70.33 67.78 2bw4 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2bw4 s ASN 91 N -4.31 5.39 -0.19 3.42 0.01 -0.66 -4.98 114.94 113.63 2bw4 s ASN 91 Ca 0.11 0.85 0.07 0.00 -0.71 0.00 0.00 52.86 53.18 2bw4 s ASN 91 Cb 0.13 -1.70 -0.16 0.00 0.41 0.00 0.00 41.25 39.93 2bw4 s ASN 91 CO 0.58 -1.27 -0.08 0.41 -1.51 0.00 0.00 177.10 175.22 2bw4 n THR 92 N -2.82 1.15 -4.15 1.60 -1.04 -1.26 -4.77 114.28 102.99 2bw4 n THR 92 Ca 0.06 -0.55 -0.22 0.00 -2.04 0.00 0.00 64.05 61.30 2bw4 n THR 92 Cb 0.58 -0.96 -0.06 0.00 -1.82 0.00 0.00 70.33 68.07 2bw4 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2bw4 s LEU 93 N -5.79 3.49 0.24 -4.42 1.43 -1.26 -4.83 118.68 107.54 2bw4 s LEU 93 Ca -0.20 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.11 2bw4 s LEU 93 Cb 0.06 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 2bw4 s LEU 93 CO 0.55 -0.09 1.05 -0.22 0.23 0.00 0.00 176.35 177.87 2bw4 s LEU 94 N -3.80 4.56 0.20 1.79 0.20 -1.26 -4.00 118.68 116.38 2bw4 s LEU 94 Ca 0.34 2.12 -0.02 0.00 0.69 0.00 0.00 54.13 57.26 2bw4 s LEU 94 Cb -0.06 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2bw4 s LEU 94 CO 0.23 -0.07 0.15 -1.00 -0.29 0.00 0.00 176.35 175.37 2bw4 s HIS 95 N -0.91 1.11 0.00 5.38 3.76 -0.89 -4.90 115.29 118.84 2bw4 s HIS 95 Ca 0.45 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 2bw4 s HIS 95 Cb -0.29 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2bw4 s HIS 95 CO 0.37 -0.66 0.00 0.27 -0.85 0.00 0.00 174.74 173.86 2bw4 n ASN 96 N -0.28 0.00 -3.75 1.40 6.94 -1.26 -0.69 115.26 117.62 2bw4 n ASN 96 Ca 0.02 -0.75 -0.12 0.00 -0.02 0.00 0.00 54.58 53.71 2bw4 n ASN 96 Cb 0.66 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.96 2bw4 n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2bw4 s ILE 97 N -2.87 -0.01 -0.20 1.53 2.07 -1.26 -4.14 121.20 116.31 2bw4 s ILE 97 Ca 0.00 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.28 2bw4 s ILE 97 Cb 0.00 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.16 2bw4 s ILE 97 CO 0.00 0.02 -0.12 -1.81 -1.91 0.00 0.00 174.94 171.12 2bw4 s ASP 98 N 0.61 3.74 -0.26 4.50 1.11 0.45 -1.49 116.67 125.32 2bw4 s ASP 98 Ca -0.04 -0.58 -0.12 0.00 0.18 0.00 0.00 52.55 51.99 2bw4 s ASP 98 Cb -0.05 -1.60 -0.05 0.00 1.07 0.00 0.00 42.92 42.29 2bw4 s ASP 98 CO -0.04 -0.02 0.23 -0.36 1.18 0.00 0.00 175.17 176.15 2bw4 s PHE 99 N 1.37 3.27 -0.38 4.23 0.08 0.36 -1.05 117.98 125.85 2bw4 s PHE 99 Ca 0.05 0.24 0.25 0.00 0.12 0.00 0.00 56.93 57.58 2bw4 s PHE 99 Cb -0.14 -2.39 1.06 0.00 -0.57 0.00 0.00 43.02 40.98 2bw4 s PHE 99 CO -0.08 -0.08 1.74 0.45 -0.10 0.00 0.00 175.22 177.15 2bw4 h HIS 100 N 7.97 0.00 0.00 0.36 3.86 -1.30 -1.90 115.15 124.14 2bw4 h HIS 100 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2bw4 h HIS 100 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2bw4 h HIS 100 CO 0.72 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.51 2bw4 h ALA 101 N 2.21 1.00 -2.04 2.45 0.00 -1.91 -3.47 119.26 117.50 2bw4 h ALA 101 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 2bw4 h ALA 101 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2bw4 h ALA 101 CO 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 179.25 178.85 2bw4 s ALA 102 N -3.29 4.04 -0.16 0.00 0.00 -0.71 -4.47 121.76 117.16 2bw4 s ALA 102 Ca 0.06 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.71 2bw4 s ALA 102 Cb 0.09 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.53 2bw4 s ALA 102 CO 0.54 0.14 -0.18 0.99 0.00 0.00 0.00 175.76 177.25 2bw4 s THR 103 N -2.06 1.84 0.00 0.00 2.01 -1.26 -4.68 115.64 111.49 2bw4 s THR 103 Ca 0.38 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2bw4 s THR 103 Cb -0.09 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.74 2bw4 s THR 103 CO 0.30 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 2bw4 n GLY 104 N 4.59 2.79 4.02 4.40 0.00 -1.26 -4.94 105.19 114.79 2bw4 n GLY 104 Ca -0.19 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 2bw4 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw4 n ALA 105 N 0.40 -1.51 -1.40 4.61 0.00 -1.26 -0.49 120.51 120.87 2bw4 n ALA 105 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2bw4 n ALA 105 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 19.45 16.19 2bw4 n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bw4 n LEU 106 N -4.47 -0.87 0.00 0.00 4.77 -1.26 -0.93 117.00 114.23 2bw4 n LEU 106 Ca -0.06 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2bw4 n LEU 106 Cb 0.56 -2.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 2bw4 n LEU 106 CO 0.79 -0.84 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2bw4 n GLY 107 N -0.81 0.84 0.00 -0.72 0.00 0.36 -4.15 105.19 100.71 2bw4 n GLY 107 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2bw4 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw4 n GLY 108 N -2.24 2.36 0.29 -0.02 0.00 -0.10 -0.49 105.19 104.98 2bw4 n GLY 108 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2bw4 n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bw4 h GLY 109 N 0.00 0.61 2.00 -0.02 0.00 -0.58 -1.30 103.07 103.78 2bw4 h GLY 109 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2bw4 h GLY 109 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.84 2bw4 n ALA 110 N -2.47 1.73 0.54 3.60 0.00 -0.85 -3.16 120.51 119.91 2bw4 n ALA 110 Ca 0.02 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2bw4 n ALA 110 Cb 0.19 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.27 2bw4 n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bw4 n LEU 111 N -2.12 1.53 -0.35 0.00 4.77 -0.52 -4.69 117.00 115.63 2bw4 n LEU 111 Ca 0.03 -0.82 0.07 0.00 -0.03 0.00 0.00 56.01 55.26 2bw4 n LEU 111 Cb 0.24 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.45 2bw4 n LEU 111 CO 0.20 0.30 0.44 0.35 -1.33 0.00 0.00 177.39 177.34 2bw4 n THR 112 N 0.01 1.49 -2.17 -5.08 -2.24 -1.03 -4.96 114.28 100.30 2bw4 n THR 112 Ca 0.06 -1.98 -0.43 0.00 -2.27 0.00 0.00 64.05 59.43 2bw4 n THR 112 Cb 0.27 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 2bw4 n THR 112 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2bw4 s GLN 113 N -2.25 3.94 -0.14 -0.78 -0.21 -1.26 -4.24 119.66 114.73 2bw4 s GLN 113 Ca 0.28 1.71 0.01 0.00 0.02 0.00 0.00 55.36 57.37 2bw4 s GLN 113 Cb 0.26 -3.97 0.02 0.00 1.00 0.00 0.00 33.01 30.32 2bw4 s GLN 113 CO -0.01 -1.11 -0.14 0.14 -2.12 0.00 0.00 175.29 172.05 2bw4 s VAL 114 N 4.65 1.58 0.74 1.09 -7.23 0.13 -4.99 120.40 116.37 2bw4 s VAL 114 Ca 0.68 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 60.09 2bw4 s VAL 114 Cb -0.25 -1.47 0.04 0.00 0.56 0.00 0.00 36.38 35.25 2bw4 s VAL 114 CO 0.26 0.46 1.08 0.20 -0.31 0.00 0.00 175.10 176.79 2bw4 s ASN 115 N 1.41 4.98 0.23 4.85 0.01 -1.26 -2.09 114.94 123.07 2bw4 s ASN 115 Ca 0.03 1.44 -0.31 0.00 -0.71 0.00 0.00 52.86 53.31 2bw4 s ASN 115 Cb -0.13 -2.25 -0.14 0.00 0.41 0.00 0.00 41.25 39.14 2bw4 s ASN 115 CO -0.09 -1.67 1.33 -2.65 -1.51 0.00 0.00 177.10 172.50 2bw4 n PRO 116 N -3.26 1.81 -0.48 -0.60 -0.02 -1.26 -1.57 135.00 129.62 2bw4 n PRO 116 Ca 0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2bw4 n PRO 116 Cb 0.55 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2bw4 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bw4 n GLY 117 N 2.03 0.75 3.54 -1.23 0.00 0.57 -4.72 105.19 106.12 2bw4 n GLY 117 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2bw4 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bw4 s GLU 118 N -0.52 1.93 0.19 1.61 2.02 -0.61 -4.88 118.70 118.44 2bw4 s GLU 118 Ca 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.48 2bw4 s GLU 118 Cb 0.00 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2bw4 s GLU 118 CO 0.00 0.37 0.06 -1.83 0.02 0.00 0.00 175.26 173.89 2bw4 s GLU 119 N -3.30 1.15 0.09 1.61 -1.05 -1.26 -0.93 118.70 115.01 2bw4 s GLU 119 Ca 0.28 -1.58 -0.17 0.00 -0.15 0.00 0.00 54.97 53.35 2bw4 s GLU 119 Cb -0.07 -0.02 0.03 0.00 -0.44 0.00 0.00 34.13 33.64 2bw4 s GLU 119 CO 0.16 -0.26 0.40 -0.08 0.95 0.00 0.00 175.26 176.43 2bw4 s THR 120 N -3.89 0.07 -0.12 1.83 -1.32 -0.44 -5.01 115.64 106.77 2bw4 s THR 120 Ca 0.30 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2bw4 s THR 120 Cb 0.07 -1.09 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 2bw4 s THR 120 CO 0.07 -0.30 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.18 2bw4 s THR 121 N -3.28 1.29 -0.04 5.08 2.01 -1.26 -0.54 115.64 118.90 2bw4 s THR 121 Ca -0.00 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.53 2bw4 s THR 121 Cb 0.01 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2bw4 s THR 121 CO -0.08 0.41 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.01 2bw4 s LEU 122 N 1.39 3.40 -0.02 4.42 2.96 -0.25 -4.96 118.68 125.63 2bw4 s LEU 122 Ca 0.01 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2bw4 s LEU 122 Cb -0.13 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2bw4 s LEU 122 CO -0.06 0.33 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.52 2bw4 s ARG 123 N -1.16 1.50 0.03 1.98 3.52 -1.26 -0.58 118.95 122.98 2bw4 s ARG 123 Ca 0.16 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 55.08 2bw4 s ARG 123 Cb -0.11 -1.42 -0.01 0.00 -1.56 0.00 0.00 34.95 31.85 2bw4 s ARG 123 CO 0.05 0.36 0.08 -0.59 -0.81 0.00 0.00 175.30 174.39 2bw4 s PHE 124 N -0.33 0.21 -0.12 5.12 -0.12 -0.29 -4.98 117.98 117.46 2bw4 s PHE 124 Ca 0.05 -0.50 -0.20 0.00 -0.05 0.00 0.00 56.93 56.23 2bw4 s PHE 124 Cb -0.08 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 2bw4 s PHE 124 CO -0.00 -0.34 0.54 0.21 -0.05 0.00 0.00 175.22 175.58 2bw4 s LYS 125 N -2.47 4.34 -1.24 1.99 2.20 -1.26 -0.44 119.74 122.86 2bw4 s LYS 125 Ca -0.06 0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 55.96 2bw4 s LYS 125 Cb -0.02 -3.46 0.14 0.00 -1.51 0.00 0.00 37.83 32.98 2bw4 s LYS 125 CO -0.04 0.08 1.56 0.00 -0.36 0.00 0.00 175.35 176.59 2bw4 n ALA 126 N 3.90 3.92 1.07 3.13 0.00 -0.05 -4.73 120.51 127.76 2bw4 n ALA 126 Ca -0.05 -4.14 0.14 0.00 0.00 0.00 0.00 53.44 49.39 2bw4 n ALA 126 Cb 0.51 -3.20 0.61 0.00 0.00 0.00 0.00 19.45 17.38 2bw4 n ALA 126 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bw4 n THR 127 N 4.99 0.00 -4.60 0.00 -2.24 -1.26 -0.51 114.28 110.66 2bw4 n THR 127 Ca 0.40 -0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.94 2bw4 n THR 127 Cb 0.43 -0.44 -0.16 0.00 -2.10 0.00 0.00 70.33 68.06 2bw4 n THR 127 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bw4 s LYS 128 N -2.92 1.64 0.29 -0.78 1.02 -1.26 -4.77 119.74 112.96 2bw4 s LYS 128 Ca 0.16 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.49 2bw4 s LYS 128 Cb 0.19 -1.38 -0.09 0.00 -0.52 0.00 0.00 37.83 36.03 2bw4 s LYS 128 CO 0.53 0.06 0.87 -1.25 -0.92 0.00 0.00 175.35 174.64 2bw4 s PRO 129 N 0.55 4.45 0.00 -1.68 0.04 -1.26 -4.79 135.00 132.31 2bw4 s PRO 129 Ca -0.12 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2bw4 s PRO 129 Cb -0.15 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2bw4 s PRO 129 CO 0.03 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.79 2bw4 n GLY 130 N 0.55 0.67 3.87 0.56 0.00 0.38 -2.69 105.19 108.53 2bw4 n GLY 130 Ca 0.01 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 2bw4 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bw4 s VAL 131 N -1.79 5.29 0.01 1.61 -7.23 0.37 0.06 120.40 118.73 2bw4 s VAL 131 Ca 0.00 0.37 -0.00 0.00 -1.81 0.00 0.00 61.98 60.53 2bw4 s VAL 131 Cb 0.00 -3.55 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 2bw4 s VAL 131 CO 0.00 0.50 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.92 2bw4 s PHE 132 N -1.16 0.20 0.45 2.82 0.40 0.46 -4.40 117.98 116.75 2bw4 s PHE 132 Ca 0.22 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.93 2bw4 s PHE 132 Cb -0.14 -0.14 -0.08 0.00 0.51 0.00 0.00 43.02 43.17 2bw4 s PHE 132 CO 0.11 -0.15 1.08 0.08 0.70 0.00 0.00 175.22 177.04 2bw4 s VAL 133 N -1.14 3.56 0.13 -0.44 1.01 -1.26 -0.56 120.40 121.70 2bw4 s VAL 133 Ca -0.12 1.09 0.09 0.00 0.00 0.00 0.00 61.98 63.04 2bw4 s VAL 133 Cb -0.08 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2bw4 s VAL 133 CO -0.01 -0.10 -0.21 -0.72 0.00 0.00 0.00 175.10 174.06 2bw4 s TYR 134 N -1.75 1.91 0.05 5.22 -0.85 -0.75 -0.87 117.35 120.31 2bw4 s TYR 134 Ca 0.64 -0.42 -0.27 0.00 -0.52 0.00 0.00 57.07 56.50 2bw4 s TYR 134 Cb -0.22 -1.01 0.08 0.00 0.38 0.00 0.00 41.96 41.19 2bw4 s TYR 134 CO 0.26 0.28 0.69 -3.38 -1.52 0.00 0.00 175.55 171.89 2bw4 s HIS 135 N -1.44 -0.54 0.57 -3.49 -3.43 -0.22 -0.83 115.29 105.91 2bw4 s HIS 135 Ca 0.11 0.58 -0.18 0.00 -0.80 0.00 0.00 55.06 54.77 2bw4 s HIS 135 Cb -0.09 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.53 2bw4 s HIS 135 CO 0.06 -0.70 1.12 0.00 -2.00 0.00 0.00 174.74 173.22 2bw4 n ALA 137 N -1.60 -1.06 -2.43 0.00 0.00 -1.26 -4.48 120.51 109.68 2bw4 n ALA 137 Ca 0.11 -1.57 -0.42 0.00 0.00 0.00 0.00 53.44 51.56 2bw4 n ALA 137 Cb 0.51 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 2bw4 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bw4 s PRO 138 N 0.51 4.58 0.15 0.00 0.02 -1.26 -4.87 135.00 134.12 2bw4 s PRO 138 Ca 0.32 1.55 -0.34 0.00 0.02 0.00 0.00 61.00 62.54 2bw4 s PRO 138 Cb 0.23 -3.39 -0.15 0.00 0.02 0.00 0.00 34.50 31.21 2bw4 s PRO 138 CO -0.23 -0.00 1.38 -1.91 -0.33 0.00 0.00 177.00 175.91 2bw4 n GLU 139 N 3.38 1.60 -0.20 5.54 2.13 -1.26 -0.90 120.64 130.93 2bw4 n GLU 139 Ca 0.05 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2bw4 n GLU 139 Cb 0.49 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.97 2bw4 n GLU 139 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bw4 n GLY 140 N 2.60 1.93 0.41 8.31 0.00 -1.26 -4.82 105.19 112.36 2bw4 n GLY 140 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2bw4 n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2bw4 n MET 141 N -2.00 0.29 0.37 1.61 2.81 -0.08 -4.99 117.12 115.12 2bw4 n MET 141 Ca 0.00 -1.36 -0.17 0.00 -1.81 0.00 0.00 57.70 54.35 2bw4 n MET 141 Cb 0.00 -0.72 -0.09 0.00 -0.71 0.00 0.00 33.22 31.70 2bw4 n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2bw4 h VAL 142 N 5.42 0.28 0.00 2.03 2.07 -1.84 -2.78 116.25 121.42 2bw4 h VAL 142 Ca -0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2bw4 h VAL 142 Cb 1.31 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2bw4 h VAL 142 CO 0.00 0.02 -0.26 1.55 0.02 0.00 0.00 177.57 178.90 2bw4 h PRO 143 N -1.02 0.00 -0.42 1.57 0.13 -1.93 -2.01 132.00 128.33 2bw4 h PRO 143 Ca -0.09 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2bw4 h PRO 143 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2bw4 h PRO 143 CO 0.15 0.26 0.27 2.35 -0.23 0.00 0.00 178.00 180.80 2bw4 h TRP 144 N 0.00 0.51 -0.36 1.56 7.01 -1.94 0.15 115.95 122.88 2bw4 h TRP 144 Ca -0.00 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 2bw4 h TRP 144 Cb 0.48 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 2bw4 h TRP 144 CO 0.00 0.31 -0.10 0.45 -2.79 0.00 0.00 178.44 176.31 2bw4 h HIS 145 N 0.54 0.78 -0.22 2.65 3.86 -1.15 -1.85 115.15 119.77 2bw4 h HIS 145 Ca 0.16 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2bw4 h HIS 145 Cb -0.03 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 2bw4 h HIS 145 CO -0.06 0.86 0.12 0.28 0.86 0.00 0.00 177.93 179.99 2bw4 h VAL 146 N 0.48 1.11 -0.02 2.45 2.07 -1.23 -2.31 116.25 118.80 2bw4 h VAL 146 Ca 0.09 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2bw4 h VAL 146 Cb 0.61 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2bw4 h VAL 146 CO 0.04 0.10 0.00 0.35 0.02 0.00 0.00 177.57 178.08 2bw4 n THR 147 N -4.88 0.03 0.72 2.57 -2.24 0.03 -1.74 114.28 108.76 2bw4 n THR 147 Ca -0.03 -0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 2bw4 n THR 147 Cb 0.07 -0.22 0.28 0.00 -2.10 0.00 0.00 70.33 68.36 2bw4 n THR 147 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2bw4 n SER 148 N -0.66 2.53 0.00 3.42 7.64 -0.70 -4.57 113.62 121.29 2bw4 n SER 148 Ca 0.16 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.16 2bw4 n SER 148 Cb 0.11 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2bw4 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bw4 n GLY 149 N 1.30 0.90 2.90 0.23 0.00 -0.71 -1.13 105.19 108.68 2bw4 n GLY 149 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2bw4 n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2bw4 n MET 150 N -1.48 3.80 -3.47 1.61 0.00 -0.83 -4.53 117.12 112.22 2bw4 n MET 150 Ca 0.00 -3.75 -0.14 0.00 0.00 0.00 0.00 57.70 53.80 2bw4 n MET 150 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 33.22 30.34 2bw4 n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2bw4 s ASN 151 N 0.32 -0.60 0.00 6.12 2.20 -1.26 -1.61 114.94 120.11 2bw4 s ASN 151 Ca 0.38 0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.63 2bw4 s ASN 151 Cb 0.08 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 2bw4 s ASN 151 CO 0.03 -0.77 0.00 0.61 -2.94 0.00 0.00 177.10 174.02 2bw4 n GLY 152 N 0.24 3.78 3.30 0.45 0.00 -0.01 -0.70 105.19 112.25 2bw4 n GLY 152 Ca -0.17 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2bw4 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw4 s ALA 153 N -1.21 -0.74 -0.02 4.61 0.00 -1.26 -1.81 121.76 121.33 2bw4 s ALA 153 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2bw4 s ALA 153 Cb 0.00 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 2bw4 s ALA 153 CO 0.00 -0.62 -0.11 -1.50 0.00 0.00 0.00 175.76 173.53 2bw4 s ILE 154 N -3.83 0.92 -0.20 0.00 2.07 0.27 -2.15 121.20 118.28 2bw4 s ILE 154 Ca 0.04 -0.46 -0.05 0.00 -1.41 0.00 0.00 60.65 58.77 2bw4 s ILE 154 Cb 0.02 -0.79 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 2bw4 s ILE 154 CO -0.11 0.27 0.00 -0.32 -1.91 0.00 0.00 174.94 172.88 2bw4 s MET 155 N -0.04 3.63 -0.45 3.50 -2.45 0.12 -0.40 119.30 123.20 2bw4 s MET 155 Ca 0.00 -0.51 -0.06 0.00 -1.25 0.00 0.00 55.69 53.87 2bw4 s MET 155 Cb -0.07 -3.09 0.12 0.00 1.25 0.00 0.00 34.83 33.04 2bw4 s MET 155 CO 0.00 0.02 0.29 0.08 1.05 0.00 0.00 175.02 176.46 2bw4 s VAL 156 N 0.99 3.76 0.39 10.11 1.01 0.11 -0.99 120.40 135.78 2bw4 s VAL 156 Ca 0.02 -1.98 -0.24 0.00 0.00 0.00 0.00 61.98 59.78 2bw4 s VAL 156 Cb -0.14 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2bw4 s VAL 156 CO 0.02 -0.74 1.00 -0.76 0.00 0.00 0.00 175.10 174.62 2bw4 s LEU 157 N 1.18 4.13 0.66 3.92 1.43 0.17 -0.47 118.68 129.71 2bw4 s LEU 157 Ca 0.08 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 54.92 2bw4 s LEU 157 Cb -0.24 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 2bw4 s LEU 157 CO -0.03 -0.38 1.09 -2.65 0.23 0.00 0.00 176.35 174.61 2bw4 n PRO 158 N -0.08 0.82 0.26 1.29 -0.02 -1.26 -0.67 135.00 135.35 2bw4 n PRO 158 Ca 0.05 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 2bw4 n PRO 158 Cb 0.51 -2.32 0.70 0.00 -0.02 0.00 0.00 33.50 32.37 2bw4 n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bw4 h ARG 159 N 0.22 0.00 -0.74 -0.52 3.08 -1.88 -1.30 114.38 113.24 2bw4 h ARG 159 Ca -0.49 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.27 2bw4 h ARG 159 Cb 1.35 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.22 2bw4 h ARG 159 CO 0.50 0.13 0.33 -3.47 -1.07 0.00 0.00 179.97 176.39 2bw4 n ASP 160 N -3.67 4.20 -0.47 7.04 4.64 -1.26 -0.62 116.55 126.41 2bw4 n ASP 160 Ca -0.02 -3.39 0.03 0.00 -1.38 0.00 0.00 54.79 50.03 2bw4 n ASP 160 Cb 0.25 -0.75 -0.01 0.00 -1.04 0.00 0.00 41.12 39.57 2bw4 n ASP 160 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2bw4 n GLY 161 N -0.58 -1.80 3.84 0.27 0.00 -0.49 -4.81 105.19 101.62 2bw4 n GLY 161 Ca 0.45 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 2bw4 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bw4 s LEU 162 N 0.00 3.74 0.04 0.99 1.43 -1.25 -4.50 118.68 119.13 2bw4 s LEU 162 Ca 0.00 1.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 2bw4 s LEU 162 Cb 0.00 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 2bw4 s LEU 162 CO 0.00 -0.50 -0.10 -0.54 0.23 0.00 0.00 176.35 175.44 2bw4 s LYS 163 N -3.78 0.68 0.48 1.70 -0.14 -1.26 -1.23 119.74 116.18 2bw4 s LYS 163 Ca 0.59 -0.74 -0.08 0.00 -1.36 0.00 0.00 55.97 54.38 2bw4 s LYS 163 Cb -0.10 -0.59 0.11 0.00 -1.68 0.00 0.00 37.83 35.57 2bw4 s LYS 163 CO 0.26 0.13 0.65 -0.40 -0.76 0.00 0.00 175.35 175.23 2bw4 n ASP 164 N 1.70 0.09 0.06 2.83 5.68 0.36 -4.75 116.55 122.52 2bw4 n ASP 164 Ca -0.20 -1.26 0.08 0.00 -0.50 0.00 0.00 54.79 52.91 2bw4 n ASP 164 Cb 0.55 -0.49 0.37 0.00 -1.14 0.00 0.00 41.12 40.41 2bw4 n ASP 164 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2bw4 n GLU 165 N -2.36 0.09 -0.08 0.11 0.00 -1.26 -1.98 120.64 115.16 2bw4 n GLU 165 Ca 0.08 0.37 0.09 0.00 0.00 0.00 0.00 57.16 57.70 2bw4 n GLU 165 Cb 0.29 -1.68 0.12 0.00 0.00 0.00 0.00 31.44 30.17 2bw4 n GLU 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2bw4 n LYS 166 N -1.84 1.81 -0.53 3.44 5.02 -1.26 -4.99 118.16 119.80 2bw4 n LYS 166 Ca 0.02 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 2bw4 n LYS 166 Cb 0.16 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2bw4 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bw4 n GLY 167 N 1.02 0.76 3.85 0.72 0.00 -0.84 -5.06 105.19 105.65 2bw4 n GLY 167 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2bw4 n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bw4 s GLN 168 N -0.47 3.92 0.56 1.61 1.11 -1.26 -4.78 119.66 120.36 2bw4 s GLN 168 Ca 0.00 0.70 -0.20 0.00 0.01 0.00 0.00 55.36 55.88 2bw4 s GLN 168 Cb 0.00 -2.32 -0.05 0.00 -1.01 0.00 0.00 33.01 29.64 2bw4 s GLN 168 CO 0.00 -0.05 1.19 -2.14 0.01 0.00 0.00 175.29 174.30 2bw4 s PRO 169 N -3.62 3.17 -0.12 2.91 0.02 -1.26 -0.49 135.00 135.60 2bw4 s PRO 169 Ca 0.55 1.79 0.02 0.00 0.02 0.00 0.00 61.00 63.37 2bw4 s PRO 169 Cb -0.10 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.42 2bw4 s PRO 169 CO 0.26 -1.04 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.21 2bw4 s LEU 170 N -3.86 1.85 -0.13 -5.54 1.43 -0.37 -4.68 118.68 107.39 2bw4 s LEU 170 Ca 0.74 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2bw4 s LEU 170 Cb -0.29 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.73 2bw4 s LEU 170 CO 0.32 0.03 -0.14 -0.89 0.23 0.00 0.00 176.35 175.90 2bw4 s THR 171 N 0.97 1.53 0.26 5.49 2.01 -1.26 -3.92 115.64 120.71 2bw4 s THR 171 Ca -0.06 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 2bw4 s THR 171 Cb -0.15 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.86 2bw4 s THR 171 CO -0.02 0.45 0.67 -0.72 -0.69 0.00 0.00 174.62 174.31 2bw4 s TYR 172 N 1.26 3.48 -0.04 4.92 -0.85 -1.26 -4.84 117.35 120.02 2bw4 s TYR 172 Ca -0.00 1.17 0.07 0.00 -0.52 0.00 0.00 57.07 57.79 2bw4 s TYR 172 Cb -0.14 -2.48 -0.24 0.00 0.38 0.00 0.00 41.96 39.48 2bw4 s TYR 172 CO -0.06 0.23 0.66 -0.44 -1.52 0.00 0.00 175.55 174.42 2bw4 h ASP 173 N 2.76 0.12 -4.85 -0.18 3.32 -0.85 -3.48 116.42 113.25 2bw4 h ASP 173 Ca -0.48 -0.23 -0.22 0.00 0.02 0.00 0.00 57.03 56.11 2bw4 h ASP 173 Cb 1.18 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 2bw4 h ASP 173 CO 0.66 1.21 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.13 2bw4 s LYS 174 N -2.60 0.49 0.01 3.56 1.02 -0.90 -5.01 119.74 116.30 2bw4 s LYS 174 Ca -0.08 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.15 2bw4 s LYS 174 Cb 0.08 -0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.26 2bw4 s LYS 174 CO 0.82 0.00 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.66 2bw4 s ILE 175 N -1.77 0.64 0.08 2.17 2.07 -1.26 -1.18 121.20 121.95 2bw4 s ILE 175 Ca -0.09 -0.52 0.05 0.00 -1.41 0.00 0.00 60.65 58.68 2bw4 s ILE 175 Cb -0.07 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 2bw4 s ILE 175 CO -0.01 0.06 -0.13 -0.31 -1.91 0.00 0.00 174.94 172.64 2bw4 s TYR 176 N -0.44 1.18 -0.26 3.50 2.02 -0.41 -4.56 117.35 118.39 2bw4 s TYR 176 Ca 0.01 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2bw4 s TYR 176 Cb -0.05 -0.66 0.04 0.00 -0.40 0.00 0.00 41.96 40.90 2bw4 s TYR 176 CO 0.00 0.05 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.48 2bw4 s TYR 177 N -1.58 3.15 -0.42 2.71 5.04 0.13 -0.82 117.35 125.57 2bw4 s TYR 177 Ca 0.00 -1.95 -0.14 0.00 -2.44 0.00 0.00 57.07 52.55 2bw4 s TYR 177 Cb -0.08 -2.00 0.04 0.00 0.35 0.00 0.00 41.96 40.26 2bw4 s TYR 177 CO 0.02 -0.82 0.30 0.08 -1.34 0.00 0.00 175.55 173.79 2bw4 s VAL 178 N 1.22 5.06 -0.14 3.14 1.01 0.48 -4.21 120.40 126.95 2bw4 s VAL 178 Ca -0.04 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 2bw4 s VAL 178 Cb -0.18 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2bw4 s VAL 178 CO -0.05 -0.36 0.43 -0.83 0.00 0.00 0.00 175.10 174.29 2bw4 s GLY 179 N 1.86 2.30 -0.19 4.51 0.00 -1.26 -1.78 107.32 112.77 2bw4 s GLY 179 Ca 0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 2bw4 s GLY 179 CO 0.08 0.73 0.02 1.85 0.00 0.00 0.00 173.10 175.78 2bw4 s GLU 180 N 0.73 3.77 -0.14 2.90 2.12 -0.57 -1.80 118.70 125.71 2bw4 s GLU 180 Ca 0.23 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.13 2bw4 s GLU 180 Cb -0.15 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.14 2bw4 s GLU 180 CO 0.09 0.14 -0.20 -1.14 -0.54 0.00 0.00 175.26 173.61 2bw4 s GLN 181 N 0.68 2.82 -0.21 4.30 2.00 0.34 -4.50 119.66 125.09 2bw4 s GLN 181 Ca 0.01 -0.77 -0.22 0.00 -2.00 0.00 0.00 55.36 52.38 2bw4 s GLN 181 Cb -0.14 -2.34 -0.02 0.00 0.80 0.00 0.00 33.01 31.31 2bw4 s GLN 181 CO 0.02 -0.08 0.67 0.16 -0.50 0.00 0.00 175.29 175.56 2bw4 s ASP 182 N 0.99 6.71 0.12 6.67 -4.77 -1.26 -1.15 116.67 123.97 2bw4 s ASP 182 Ca -0.04 0.87 0.06 0.00 -3.30 0.00 0.00 52.55 50.14 2bw4 s ASP 182 Cb -0.15 -2.37 -0.04 0.00 -1.09 0.00 0.00 42.92 39.28 2bw4 s ASP 182 CO -0.05 -0.33 0.00 -0.36 0.70 0.00 0.00 175.17 175.14 2bw4 s PHE 183 N 2.13 2.95 -0.56 2.11 0.08 -0.07 -4.73 117.98 119.89 2bw4 s PHE 183 Ca 0.30 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.35 2bw4 s PHE 183 Cb -0.16 -1.49 0.23 0.00 -0.57 0.00 0.00 43.02 41.03 2bw4 s PHE 183 CO 0.10 0.49 0.60 0.66 -0.10 0.00 0.00 175.22 176.96 2bw4 n TYR 184 N 0.35 2.01 -2.42 0.36 4.02 -1.26 -0.84 117.16 119.38 2bw4 n TYR 184 Ca -0.11 -3.94 -0.42 0.00 -0.01 0.00 0.00 57.90 53.43 2bw4 n TYR 184 Cb 0.53 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 2bw4 n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2bw4 s VAL 185 N -1.67 4.21 0.39 -0.72 1.01 -1.26 -4.67 120.40 117.69 2bw4 s VAL 185 Ca 0.35 1.52 -0.28 0.00 0.00 0.00 0.00 61.98 63.57 2bw4 s VAL 185 Cb 0.11 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2bw4 s VAL 185 CO -0.09 -0.04 1.48 -2.65 0.00 0.00 0.00 175.10 173.80 2bw4 n PRO 186 N 5.61 2.61 -4.70 2.72 -0.02 -1.26 -4.86 135.00 135.10 2bw4 n PRO 186 Ca 0.12 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 62.22 2bw4 n PRO 186 Cb 0.46 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.14 2bw4 n PRO 186 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bw4 s LYS 187 N -2.16 1.82 0.99 -0.52 1.02 -1.26 -0.31 119.74 119.33 2bw4 s LYS 187 Ca 0.54 -1.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.26 2bw4 s LYS 187 Cb -0.47 -2.04 0.21 0.00 -0.52 0.00 0.00 37.83 35.00 2bw4 s LYS 187 CO 0.63 0.51 1.28 0.16 -0.92 0.00 0.00 175.35 177.00 2bw4 s ASP 188 N -1.51 2.83 0.39 2.83 1.47 0.39 -4.89 116.67 118.18 2bw4 s ASP 188 Ca 0.13 0.37 0.08 0.00 1.18 0.00 0.00 52.55 54.32 2bw4 s ASP 188 Cb -0.10 -0.48 0.80 0.00 -0.34 0.00 0.00 42.92 42.79 2bw4 s ASP 188 CO 0.04 -2.92 1.95 1.05 0.68 0.00 0.00 175.17 175.98 2bw4 h GLU 189 N -1.77 0.34 0.00 2.11 4.11 -2.01 -0.86 114.58 116.50 2bw4 h GLU 189 Ca -0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2bw4 h GLU 189 Cb 1.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2bw4 h GLU 189 CO 0.39 0.38 0.00 0.00 0.07 0.00 0.00 179.01 179.85 2bw4 n ALA 190 N -2.49 2.03 0.00 1.06 0.00 -1.26 -4.91 120.51 114.94 2bw4 n ALA 190 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2bw4 n ALA 190 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2bw4 n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bw4 n GLY 191 N 0.81 0.77 3.86 0.00 0.00 -0.33 -5.10 105.19 105.21 2bw4 n GLY 191 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2bw4 n GLY 191 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bw4 s ASN 192 N -2.42 6.70 0.47 1.61 0.02 -1.26 -4.76 114.94 115.30 2bw4 s ASN 192 Ca 0.00 1.08 -0.23 0.00 -1.02 0.00 0.00 52.86 52.69 2bw4 s ASN 192 Cb 0.00 -2.29 -0.07 0.00 0.02 0.00 0.00 41.25 38.91 2bw4 s ASN 192 CO 0.00 -0.12 1.24 -0.31 0.02 0.00 0.00 177.10 177.93 2bw4 s TYR 193 N -1.87 2.70 0.15 2.20 2.02 -1.26 -0.46 117.35 120.83 2bw4 s TYR 193 Ca 0.50 1.47 0.03 0.00 -0.37 0.00 0.00 57.07 58.70 2bw4 s TYR 193 Cb -0.11 -3.54 -0.04 0.00 -0.40 0.00 0.00 41.96 37.87 2bw4 s TYR 193 CO 0.20 -1.98 0.22 0.15 -1.57 0.00 0.00 175.55 172.57 2bw4 s LYS 194 N -2.68 3.24 0.00 -0.62 1.02 0.58 -4.85 119.74 116.43 2bw4 s LYS 194 Ca 0.65 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.95 2bw4 s LYS 194 Cb -0.33 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2bw4 s LYS 194 CO 0.41 0.51 0.00 1.17 -0.92 0.00 0.00 175.35 176.52 2bw4 n LYS 195 N -0.42 0.00 0.00 1.68 3.00 -1.26 -4.60 118.16 116.56 2bw4 n LYS 195 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2bw4 n LYS 195 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 2bw4 n LYS 195 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2bw4 n TYR 196 N 0.00 0.00 0.16 5.64 4.02 -1.26 -4.99 117.16 120.73 2bw4 n TYR 196 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 2bw4 n TYR 196 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.53 2bw4 n TYR 196 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2bw4 h GLU 197 N 0.00 0.00 0.00 -0.72 5.08 -2.05 -3.56 114.58 113.33 2bw4 h GLU 197 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bw4 h GLU 197 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bw4 h GLU 197 CO 0.00 0.50 0.00 0.25 -1.00 0.00 0.00 179.01 178.76 2bw4 n THR 198 N -3.53 0.00 0.06 1.13 -2.24 -1.26 -5.34 114.28 103.10 2bw4 n THR 198 Ca -0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2bw4 n THR 198 Cb 0.60 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 2bw4 n THR 198 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2bw4 h PRO 199 N 0.00 0.34 -0.58 -0.78 0.11 -2.02 -3.50 132.00 125.57 2bw4 h PRO 199 Ca 0.00 -0.58 -0.02 0.00 0.11 0.00 0.00 66.00 65.51 2bw4 h PRO 199 Cb 0.00 0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 2bw4 h PRO 199 CO 0.00 1.24 0.30 0.78 -0.21 0.00 0.00 178.00 180.11 2bw4 h GLY 200 N 1.00 0.88 2.00 -0.55 0.00 -2.03 -1.26 103.07 103.12 2bw4 h GLY 200 Ca -0.33 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 2bw4 h GLY 200 CO 0.16 0.40 -0.17 0.83 0.00 0.00 0.00 176.54 177.76 2bw4 h GLU 201 N 0.78 0.00 0.00 4.80 5.08 -2.04 -2.76 114.58 120.44 2bw4 h GLU 201 Ca 0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2bw4 h GLU 201 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2bw4 h GLU 201 CO -0.03 0.17 -0.40 0.00 -1.00 0.00 0.00 179.01 177.75 2bw4 h ALA 202 N 1.83 0.78 -0.15 3.43 0.00 -1.77 -3.41 119.26 119.96 2bw4 h ALA 202 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2bw4 h ALA 202 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bw4 h ALA 202 CO 0.02 0.39 0.09 -0.92 0.00 0.00 0.00 179.25 178.83 2bw4 h TYR 203 N 0.00 0.17 -0.38 0.00 3.20 -0.95 0.10 116.97 119.11 2bw4 h TYR 203 Ca -0.01 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2bw4 h TYR 203 Cb 1.24 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 2bw4 h TYR 203 CO 0.00 0.10 0.01 0.93 -1.64 0.00 0.00 178.16 177.56 2bw4 h GLU 204 N 0.18 0.59 -0.88 1.82 4.39 -1.79 -0.10 114.58 118.80 2bw4 h GLU 204 Ca 0.06 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2bw4 h GLU 204 Cb -0.01 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 2bw4 h GLU 204 CO -0.02 0.61 0.56 -0.44 -1.16 0.00 0.00 179.01 178.56 2bw4 h ASP 205 N 0.57 1.02 -0.15 1.42 3.32 -1.58 0.32 116.42 121.33 2bw4 h ASP 205 Ca 0.12 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2bw4 h ASP 205 Cb 0.35 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2bw4 h ASP 205 CO 0.01 0.76 -0.36 0.00 -1.72 0.00 0.00 179.24 177.93 2bw4 h ALA 206 N 1.31 0.25 -0.25 3.45 0.00 -0.03 -2.27 119.26 121.72 2bw4 h ALA 206 Ca 0.32 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bw4 h ALA 206 Cb -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bw4 h ALA 206 CO -0.07 0.32 0.14 0.28 0.00 0.00 0.00 179.25 179.92 2bw4 h VAL 207 N 0.14 1.11 -0.49 0.00 2.07 -0.66 -0.41 116.25 118.01 2bw4 h VAL 207 Ca -0.00 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2bw4 h VAL 207 Cb 0.97 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 2bw4 h VAL 207 CO 0.08 0.11 0.23 0.50 0.02 0.00 0.00 177.57 178.50 2bw4 h LYS 208 N 0.30 0.43 -0.50 1.57 3.64 -0.94 -0.84 116.57 120.24 2bw4 h LYS 208 Ca 0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2bw4 h LYS 208 Cb 0.05 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2bw4 h LYS 208 CO -0.01 0.28 0.19 0.00 -2.27 0.00 0.00 179.45 177.64 2bw4 h ALA 209 N 1.29 0.65 -0.90 5.00 0.00 -1.14 -2.70 119.26 121.46 2bw4 h ALA 209 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2bw4 h ALA 209 Cb 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2bw4 h ALA 209 CO -0.18 0.27 0.50 0.52 0.00 0.00 0.00 179.25 180.36 2bw4 h MET 210 N 0.67 1.25 0.00 0.00 2.86 -0.70 -2.65 114.93 116.35 2bw4 h MET 210 Ca 0.17 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2bw4 h MET 210 Cb 0.21 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2bw4 h MET 210 CO -0.01 0.91 0.00 0.00 1.06 0.00 0.00 176.91 178.86 2bw4 h ARG 211 N 1.26 0.00 0.00 1.72 3.08 -0.83 -0.14 114.38 119.46 2bw4 h ARG 211 Ca 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2bw4 h ARG 211 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2bw4 h ARG 211 CO -0.05 0.00 -0.04 1.79 -1.07 0.00 0.00 179.97 180.60 2bw4 h THR 212 N 0.00 0.18 -0.59 2.04 1.35 -1.33 -3.47 112.91 111.10 2bw4 h THR 212 Ca 0.00 -0.37 -0.25 0.00 -0.55 0.00 0.00 66.41 65.24 2bw4 h THR 212 Cb 0.25 1.30 -0.10 0.00 -1.73 0.00 0.00 68.15 67.87 2bw4 h THR 212 CO 0.00 0.04 -0.23 0.18 -0.25 0.00 0.00 175.52 175.26 2bw4 n LEU 213 N -3.26 -0.62 -4.07 3.87 4.77 -0.07 -4.96 117.00 112.66 2bw4 n LEU 213 Ca -0.01 0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.95 2bw4 n LEU 213 Cb 0.21 -2.46 -0.14 0.00 -2.33 0.00 0.00 43.42 38.70 2bw4 n LEU 213 CO 0.26 -0.93 -0.36 -0.89 -1.33 0.00 0.00 177.39 174.14 2bw4 s THR 214 N -2.18 2.45 0.55 -5.08 2.01 -1.26 -5.09 115.64 107.04 2bw4 s THR 214 Ca 0.00 -1.94 -0.21 0.00 0.31 0.00 0.00 61.69 59.85 2bw4 s THR 214 Cb 0.00 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2bw4 s THR 214 CO 0.00 -0.34 1.32 -2.84 -0.69 0.00 0.00 174.62 172.07 2bw4 s PRO 215 N 1.04 3.12 0.11 4.92 0.02 -1.26 -4.89 135.00 138.07 2bw4 s PRO 215 Ca 0.02 2.14 0.14 0.00 0.02 0.00 0.00 61.00 63.32 2bw4 s PRO 215 Cb -0.20 -2.20 -0.11 0.00 0.02 0.00 0.00 34.50 32.01 2bw4 s PRO 215 CO -0.06 -1.17 1.03 1.79 -0.33 0.00 0.00 177.00 178.26 2bw4 h THR 216 N 1.35 0.82 -3.24 0.99 1.35 -1.33 -3.47 112.91 109.38 2bw4 h THR 216 Ca -0.51 -2.37 -0.16 0.00 -0.55 0.00 0.00 66.41 62.83 2bw4 h THR 216 Cb 1.30 2.31 -0.24 0.00 -1.73 0.00 0.00 68.15 69.79 2bw4 h THR 216 CO 0.57 0.47 -0.44 -1.00 -0.25 0.00 0.00 175.52 174.87 2bw4 s HIS 217 N -2.85 -0.18 -0.17 4.73 3.76 -1.18 -4.91 115.29 114.49 2bw4 s HIS 217 Ca -0.01 0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 55.29 2bw4 s HIS 217 Cb 0.08 0.06 0.06 0.00 1.11 0.00 0.00 32.58 33.89 2bw4 s HIS 217 CO 0.80 -0.18 0.07 0.42 -0.85 0.00 0.00 174.74 174.99 2bw4 s ILE 218 N -0.33 0.15 0.13 0.60 1.01 -0.38 -0.89 121.20 121.48 2bw4 s ILE 218 Ca -0.04 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.39 2bw4 s ILE 218 Cb -0.03 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2bw4 s ILE 218 CO 0.01 -0.22 -0.13 0.68 0.00 0.00 0.00 174.94 175.28 2bw4 s VAL 219 N 2.03 1.29 -0.12 2.92 -7.23 -0.30 -0.58 120.40 118.41 2bw4 s VAL 219 Ca 0.01 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.30 2bw4 s VAL 219 Cb -0.16 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 2bw4 s VAL 219 CO -0.08 -0.51 0.10 -0.36 -0.31 0.00 0.00 175.10 173.93 2bw4 s PHE 220 N -2.48 3.45 -1.39 2.82 0.08 -1.26 -0.51 117.98 118.69 2bw4 s PHE 220 Ca 0.11 0.40 -0.03 0.00 0.12 0.00 0.00 56.93 57.53 2bw4 s PHE 220 Cb -0.03 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2bw4 s PHE 220 CO 0.03 0.59 0.21 -1.71 -0.10 0.00 0.00 175.22 174.24 2bw4 n ASN 221 N 2.28 -4.89 0.00 1.36 5.15 -0.74 -3.28 115.26 115.14 2bw4 n ASN 221 Ca -0.19 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 2bw4 n ASN 221 Cb 0.54 -4.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.73 2bw4 n ASN 221 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bw4 n GLY 222 N -1.08 1.03 3.51 8.20 0.00 -0.84 -4.77 105.19 111.24 2bw4 n GLY 222 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2bw4 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw4 s ALA 223 N -2.53 -1.79 0.21 4.61 0.00 -1.21 -4.70 121.76 116.35 2bw4 s ALA 223 Ca 0.00 1.12 -0.32 0.00 0.00 0.00 0.00 51.96 52.76 2bw4 s ALA 223 Cb 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 23.12 23.12 2bw4 s ALA 223 CO 0.00 -0.53 1.52 0.28 0.00 0.00 0.00 175.76 177.03 2bw4 n VAL 224 N 0.27 0.48 -0.96 0.00 0.31 -0.09 -1.99 118.33 116.35 2bw4 n VAL 224 Ca -0.14 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2bw4 n VAL 224 Cb 0.60 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2bw4 n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bw4 n GLY 225 N 2.83 0.63 0.30 2.92 0.00 -1.26 -4.85 105.19 105.75 2bw4 n GLY 225 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2bw4 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw4 h ALA 226 N 0.00 1.61 -1.05 4.61 0.00 -1.60 -2.63 119.26 120.19 2bw4 h ALA 226 Ca 0.00 -0.08 -0.73 0.00 0.00 0.00 0.00 54.91 54.11 2bw4 h ALA 226 Cb 0.08 -0.17 -0.29 0.00 0.00 0.00 0.00 17.79 17.41 2bw4 h ALA 226 CO 0.00 0.33 0.78 1.28 0.00 0.00 0.00 179.25 181.64 2bw4 n LEU 227 N -4.42 7.18 -4.17 0.00 4.77 -1.26 -4.67 117.00 114.43 2bw4 n LEU 227 Ca 0.03 -4.78 -0.11 0.00 -0.03 0.00 0.00 56.01 51.12 2bw4 n LEU 227 Cb 0.11 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 2bw4 n LEU 227 CO 0.36 1.77 -0.27 0.42 -1.33 0.00 0.00 177.39 178.34 2bw4 s THR 228 N -5.07 0.07 0.00 -5.08 -4.23 -0.99 -0.66 115.64 99.68 2bw4 s THR 228 Ca 0.54 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2bw4 s THR 228 Cb 0.45 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 72.06 2bw4 s THR 228 CO -0.31 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 2bw4 n GLY 229 N -0.16 2.55 0.04 3.99 0.00 -1.26 -1.44 105.19 108.90 2bw4 n GLY 229 Ca -0.03 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.73 2bw4 n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bw4 n ASP 230 N 5.08 0.17 -0.58 1.61 8.00 -1.26 -1.78 116.55 127.79 2bw4 n ASP 230 Ca 0.00 0.56 0.08 0.00 0.71 0.00 0.00 54.79 56.15 2bw4 n ASP 230 Cb 0.00 -0.59 0.21 0.00 -0.02 0.00 0.00 41.12 40.72 2bw4 n ASP 230 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2bw4 n HIS 231 N -1.71 0.56 -1.72 1.24 8.25 -0.52 -5.02 115.22 116.30 2bw4 n HIS 231 Ca 0.01 -0.98 -0.38 0.00 -0.26 0.00 0.00 57.72 56.11 2bw4 n HIS 231 Cb 0.09 -0.26 0.05 0.00 1.12 0.00 0.00 29.99 31.00 2bw4 n HIS 231 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bw4 n ALA 232 N -0.93 1.19 -1.52 -1.41 0.00 -0.73 -3.74 120.51 113.37 2bw4 n ALA 232 Ca 0.20 0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 2bw4 n ALA 232 Cb 0.80 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.99 2bw4 n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bw4 s LEU 233 N -3.51 3.42 0.12 0.00 1.43 -0.02 -4.84 118.68 115.28 2bw4 s LEU 233 Ca 0.76 2.07 0.05 0.00 -1.03 0.00 0.00 54.13 55.98 2bw4 s LEU 233 Cb -0.41 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.21 2bw4 s LEU 233 CO 0.46 -1.67 -0.11 0.42 0.23 0.00 0.00 176.35 175.67 2bw4 s THR 234 N -2.22 1.14 0.25 5.49 -4.23 -1.26 -0.58 115.64 114.23 2bw4 s THR 234 Ca 0.69 -1.78 -0.22 0.00 -1.18 0.00 0.00 61.69 59.20 2bw4 s THR 234 Cb -0.22 -1.55 0.04 0.00 1.34 0.00 0.00 72.50 72.11 2bw4 s THR 234 CO 0.40 -0.56 0.80 0.00 -0.54 0.00 0.00 174.62 174.72 2bw4 s ALA 235 N -2.57 -1.30 0.19 3.99 0.00 -1.01 -4.94 121.76 116.12 2bw4 s ALA 235 Ca 0.10 -0.24 0.11 0.00 0.00 0.00 0.00 51.96 51.92 2bw4 s ALA 235 Cb -0.02 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2bw4 s ALA 235 CO 0.01 -1.04 -0.21 0.00 0.00 0.00 0.00 175.76 174.53 2bw4 s ALA 236 N -3.55 2.63 0.22 0.00 0.00 -1.26 -1.27 121.76 118.54 2bw4 s ALA 236 Ca 0.12 -1.61 -0.32 0.00 0.00 0.00 0.00 51.96 50.15 2bw4 s ALA 236 Cb -0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 23.12 22.52 2bw4 s ALA 236 CO 0.06 0.43 1.45 0.28 0.00 0.00 0.00 175.76 177.98 2bw4 n VAL 237 N 0.19 0.71 -0.01 0.00 0.31 0.17 -1.41 118.33 118.30 2bw4 n VAL 237 Ca -0.12 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2bw4 n VAL 237 Cb 0.56 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 2bw4 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bw4 n GLY 238 N 2.45 1.45 3.76 2.92 0.00 0.60 -4.99 105.19 111.38 2bw4 n GLY 238 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2bw4 n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bw4 s GLU 239 N -0.51 4.72 -0.26 1.61 2.12 -0.50 -4.77 118.70 121.11 2bw4 s GLU 239 Ca 0.00 1.63 -0.16 0.00 0.36 0.00 0.00 54.97 56.80 2bw4 s GLU 239 Cb 0.00 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2bw4 s GLU 239 CO 0.00 0.34 0.41 1.03 -0.54 0.00 0.00 175.26 176.50 2bw4 s ARG 240 N -1.40 4.05 -0.08 4.30 0.52 -1.26 -1.76 118.95 123.33 2bw4 s ARG 240 Ca 0.44 0.12 0.04 0.00 -0.52 0.00 0.00 55.73 55.81 2bw4 s ARG 240 Cb -0.28 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 31.55 2bw4 s ARG 240 CO 0.36 -0.26 -0.20 0.08 0.02 0.00 0.00 175.30 175.30 2bw4 s VAL 241 N 2.01 1.70 -0.22 3.52 1.01 0.35 -0.04 120.40 128.73 2bw4 s VAL 241 Ca 0.17 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2bw4 s VAL 241 Cb -0.16 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2bw4 s VAL 241 CO 0.09 0.48 0.12 -0.22 0.00 0.00 0.00 175.10 175.58 2bw4 s LEU 242 N 0.32 3.95 -0.29 3.92 2.96 -0.33 -1.03 118.68 128.17 2bw4 s LEU 242 Ca -0.13 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2bw4 s LEU 242 Cb -0.16 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.52 2bw4 s LEU 242 CO 0.06 0.08 0.01 -0.69 -1.32 0.00 0.00 176.35 174.49 2bw4 s VAL 243 N 0.93 3.26 -0.02 1.68 1.01 0.42 -1.28 120.40 126.40 2bw4 s VAL 243 Ca 0.06 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 2bw4 s VAL 243 Cb -0.13 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2bw4 s VAL 243 CO 0.03 0.00 0.70 -0.69 0.00 0.00 0.00 175.10 175.14 2bw4 s VAL 244 N 1.34 4.92 -0.05 2.92 1.01 0.00 -1.44 120.40 129.10 2bw4 s VAL 244 Ca -0.02 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.44 2bw4 s VAL 244 Cb -0.18 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.17 2bw4 s VAL 244 CO -0.01 0.32 -0.07 -2.28 0.00 0.00 0.00 175.10 173.07 2bw4 s HIS 245 N 0.32 0.97 0.17 5.22 5.04 -0.18 -0.39 115.29 126.44 2bw4 s HIS 245 Ca 0.36 -0.31 0.09 0.00 -1.54 0.00 0.00 55.06 53.66 2bw4 s HIS 245 Cb -0.19 -0.80 -0.04 0.00 0.04 0.00 0.00 32.58 31.59 2bw4 s HIS 245 CO 0.19 -0.23 -0.18 -1.54 -2.34 0.00 0.00 174.74 170.64 2bw4 s SER 246 N 0.89 2.70 -0.24 9.88 1.04 -0.73 -0.77 113.70 126.47 2bw4 s SER 246 Ca -0.11 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.42 2bw4 s SER 246 Cb -0.15 -0.16 0.12 0.00 0.10 0.00 0.00 66.02 65.93 2bw4 s SER 246 CO 0.01 -0.04 0.31 -1.58 0.98 0.00 0.00 173.24 172.92 2bw4 s GLN 247 N -2.83 0.29 0.12 4.02 -0.44 -0.79 -1.51 119.66 118.52 2bw4 s GLN 247 Ca 0.16 0.28 0.26 0.00 -2.50 0.00 0.00 55.36 53.57 2bw4 s GLN 247 Cb -0.06 -0.77 0.97 0.00 -1.64 0.00 0.00 33.01 31.52 2bw4 s GLN 247 CO 0.07 -0.73 1.80 0.00 0.50 0.00 0.00 175.29 176.93 2bw4 n ALA 248 N 5.34 2.18 0.00 1.58 0.00 -1.26 -0.19 120.51 128.16 2bw4 n ALA 248 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bw4 n ALA 248 Cb 0.49 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2bw4 n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2bw4 n ASN 249 N -1.91 1.37 -3.81 0.00 5.15 -1.26 -3.01 115.26 111.80 2bw4 n ASN 249 Ca 0.06 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.91 2bw4 n ASN 249 Cb 0.35 0.25 -0.09 0.00 -0.53 0.00 0.00 39.78 39.76 2bw4 n ASN 249 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2bw4 s ARG 250 N -0.66 0.56 0.61 1.20 0.52 -1.26 -4.70 118.95 115.22 2bw4 s ARG 250 Ca 0.00 -0.22 -0.19 0.00 -0.52 0.00 0.00 55.73 54.79 2bw4 s ARG 250 Cb 0.00 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.69 2bw4 s ARG 250 CO 0.00 -0.14 1.30 -0.51 0.02 0.00 0.00 175.30 175.97 2bw4 s ASP 251 N -1.22 4.86 0.19 0.23 1.01 -1.26 -3.39 116.67 117.08 2bw4 s ASP 251 Ca -0.13 2.64 -0.00 0.00 0.71 0.00 0.00 52.55 55.77 2bw4 s ASP 251 Cb -0.06 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2bw4 s ASP 251 CO 0.03 -1.84 0.08 0.28 0.21 0.00 0.00 175.17 173.94 2bw4 s THR 252 N -1.39 0.22 -0.40 -1.27 -1.32 -0.38 -4.83 115.64 106.28 2bw4 s THR 252 Ca 0.79 -1.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.33 2bw4 s THR 252 Cb -0.38 -2.34 0.16 0.00 -1.51 0.00 0.00 72.50 68.44 2bw4 s THR 252 CO 0.41 -0.20 0.32 0.00 -2.21 0.00 0.00 174.62 172.94 2bw4 s ARG 253 N -4.07 0.83 0.65 7.08 1.70 -1.26 -1.01 118.95 122.88 2bw4 s ARG 253 Ca 0.32 -1.94 -0.16 0.00 -0.47 0.00 0.00 55.73 53.49 2bw4 s ARG 253 Cb 0.07 -1.37 -0.00 0.00 -0.57 0.00 0.00 34.95 33.08 2bw4 s ARG 253 CO 0.08 -1.35 1.12 -2.14 -1.08 0.00 0.00 175.30 171.93 2bw4 s PRO 254 N 0.27 2.82 -0.24 3.89 0.02 -1.10 -0.56 135.00 140.10 2bw4 s PRO 254 Ca 0.30 1.45 -0.16 0.00 0.02 0.00 0.00 61.00 62.61 2bw4 s PRO 254 Cb -0.01 -1.95 0.07 0.00 0.02 0.00 0.00 34.50 32.63 2bw4 s PRO 254 CO -0.16 -1.24 0.61 -1.58 -0.33 0.00 0.00 177.00 174.30 2bw4 s HIS 255 N -2.23 -0.87 -0.45 6.54 2.46 -0.06 -3.06 115.29 117.62 2bw4 s HIS 255 Ca 0.68 1.83 -0.18 0.00 0.47 0.00 0.00 55.06 57.86 2bw4 s HIS 255 Cb -0.22 0.45 0.04 0.00 -0.13 0.00 0.00 32.58 32.72 2bw4 s HIS 255 CO 0.40 -0.44 0.51 -1.17 -2.47 0.00 0.00 174.74 171.57 2bw4 s LEU 256 N 1.27 4.93 -0.26 8.88 2.96 -1.26 -1.00 118.68 134.20 2bw4 s LEU 256 Ca -0.08 -0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 52.78 2bw4 s LEU 256 Cb -0.06 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 2bw4 s LEU 256 CO -0.13 -0.69 1.43 -0.63 -1.32 0.00 0.00 176.35 175.01 2bw4 s ILE 257 N 2.29 3.96 0.00 6.68 1.01 0.13 -1.06 121.20 134.21 2bw4 s ILE 257 Ca 0.13 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.87 2bw4 s ILE 257 Cb -0.18 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2bw4 s ILE 257 CO 0.13 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.30 2bw4 n GLY 258 N 4.41 0.49 0.00 6.18 0.00 -1.26 -3.55 105.19 111.46 2bw4 n GLY 258 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bw4 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw4 n GLY 259 N -2.00 5.53 3.51 -0.02 0.00 -0.22 -5.02 105.19 106.98 2bw4 n GLY 259 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 2bw4 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bw4 s HIS 260 N 0.78 0.69 -0.49 1.61 0.09 -1.26 -4.72 115.29 111.99 2bw4 s HIS 260 Ca 0.00 -1.00 -0.16 0.00 -0.00 0.00 0.00 55.06 53.90 2bw4 s HIS 260 Cb 0.00 0.02 0.08 0.00 -0.00 0.00 0.00 32.58 32.68 2bw4 s HIS 260 CO 0.00 -1.01 0.46 0.20 -0.00 0.00 0.00 174.74 174.38 2bw4 s GLY 261 N -3.11 2.01 0.19 -2.22 0.00 0.06 -4.74 107.32 99.51 2bw4 s GLY 261 Ca 0.27 -2.14 -0.09 0.00 0.00 0.00 0.00 44.72 42.76 2bw4 s GLY 261 CO 0.13 1.15 1.75 -0.55 0.00 0.00 0.00 173.10 175.58 2bw4 h ASP 262 N 8.83 0.99 -3.34 1.64 3.32 -1.20 0.29 116.42 126.95 2bw4 h ASP 262 Ca -0.29 -0.19 -0.42 0.00 0.02 0.00 0.00 57.03 56.15 2bw4 h ASP 262 Cb 1.11 -0.26 -0.36 0.00 0.22 0.00 0.00 39.33 40.03 2bw4 h ASP 262 CO 0.92 0.91 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.28 2bw4 s TYR 263 N -5.50 0.70 -0.06 4.55 2.02 -0.91 -1.62 117.35 116.53 2bw4 s TYR 263 Ca -0.12 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2bw4 s TYR 263 Cb 0.14 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 2bw4 s TYR 263 CO 0.82 -0.28 -0.07 0.08 -1.57 0.00 0.00 175.55 174.53 2bw4 s VAL 264 N 1.55 0.81 -0.89 0.71 1.01 0.70 -0.35 120.40 123.94 2bw4 s VAL 264 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2bw4 s VAL 264 Cb -0.13 -0.80 0.23 0.00 0.00 0.00 0.00 36.38 35.68 2bw4 s VAL 264 CO -0.03 0.29 0.84 0.26 0.00 0.00 0.00 175.10 176.46 2bw4 s TRP 265 N 0.99 3.88 0.28 5.22 0.51 0.16 -0.41 118.94 129.57 2bw4 s TRP 265 Ca -0.09 -2.20 -0.01 0.00 -2.12 0.00 0.00 56.10 51.67 2bw4 s TRP 265 Cb -0.15 -3.80 0.41 0.00 -0.81 0.00 0.00 33.47 29.13 2bw4 s TRP 265 CO 0.00 -0.97 1.84 0.00 -0.51 0.00 0.00 176.95 177.31 2bw4 h ALA 266 N 7.46 1.23 -0.60 0.98 0.00 -1.90 -0.67 119.26 125.77 2bw4 h ALA 266 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bw4 h ALA 266 Cb 0.99 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2bw4 h ALA 266 CO 0.81 0.54 0.00 0.25 0.00 0.00 0.00 179.25 180.85 2bw4 n THR 267 N -4.29 1.47 -0.72 0.00 -2.24 -1.26 -4.10 114.28 103.15 2bw4 n THR 267 Ca 0.04 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2bw4 n THR 267 Cb 0.21 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2bw4 n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bw4 n GLY 268 N 1.07 0.67 3.16 3.38 0.00 -0.35 -4.76 105.19 108.36 2bw4 n GLY 268 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2bw4 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bw4 s LYS 269 N -0.28 2.94 0.05 1.61 -0.14 -1.26 -0.48 119.74 122.18 2bw4 s LYS 269 Ca 0.00 -0.88 0.24 0.00 -1.36 0.00 0.00 55.97 53.97 2bw4 s LYS 269 Cb 0.00 -2.77 0.99 0.00 -1.68 0.00 0.00 37.83 34.37 2bw4 s LYS 269 CO 0.00 -0.29 1.76 1.19 -0.76 0.00 0.00 175.35 177.26 2bw4 n PHE 270 N 4.64 0.19 0.32 3.18 3.72 -1.10 -2.14 117.46 126.28 2bw4 n PHE 270 Ca -0.19 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.41 2bw4 n PHE 270 Cb 0.49 -0.60 0.58 0.00 -0.94 0.00 0.00 39.48 39.01 2bw4 n PHE 270 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bw4 h ARG 271 N 0.00 0.00 -6.18 -1.08 3.08 -1.96 -3.44 114.38 104.80 2bw4 h ARG 271 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2bw4 h ARG 271 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 2bw4 h ARG 271 CO 0.00 0.00 -0.26 -0.80 -1.07 0.00 0.00 179.97 177.84 2bw4 s ASN 272 N -4.45 6.56 0.49 7.04 0.01 -0.91 -5.07 114.94 118.60 2bw4 s ASN 272 Ca 0.02 0.70 -0.23 0.00 -0.71 0.00 0.00 52.86 52.65 2bw4 s ASN 272 Cb 0.09 -2.14 -0.06 0.00 0.41 0.00 0.00 41.25 39.54 2bw4 s ASN 272 CO 0.37 0.08 1.25 -2.16 -1.51 0.00 0.00 177.10 175.13 2bw4 s PRO 273 N -2.42 3.52 0.64 -0.60 0.04 -1.26 -4.98 135.00 129.94 2bw4 s PRO 273 Ca 0.39 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 2bw4 s PRO 273 Cb -0.13 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 2bw4 s PRO 273 CO 0.22 -0.81 1.08 -1.25 0.04 0.00 0.00 177.00 176.27 2bw4 s PRO 274 N -2.75 3.04 0.09 0.56 0.04 -1.26 -4.94 135.00 129.78 2bw4 s PRO 274 Ca 0.66 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 2bw4 s PRO 274 Cb -0.34 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 2bw4 s PRO 274 CO 0.41 -1.04 0.87 -0.51 0.04 0.00 0.00 177.00 176.78 2bw4 s ASP 275 N -2.86 7.38 0.09 6.66 1.01 0.45 -4.77 116.67 124.62 2bw4 s ASP 275 Ca 0.64 1.65 -0.07 0.00 0.71 0.00 0.00 52.55 55.47 2bw4 s ASP 275 Cb -0.17 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 2bw4 s ASP 275 CO 0.41 -0.02 0.37 -0.76 0.21 0.00 0.00 175.17 175.38 2bw4 s LEU 276 N -0.07 4.32 -1.37 1.23 1.02 -1.26 -0.21 118.68 122.33 2bw4 s LEU 276 Ca 0.43 0.67 0.00 0.00 0.02 0.00 0.00 54.13 55.25 2bw4 s LEU 276 Cb -0.22 -3.05 0.00 0.00 0.02 0.00 0.00 46.19 42.94 2bw4 s LEU 276 CO 0.27 0.14 0.00 0.47 0.02 0.00 0.00 176.35 177.25 2bw4 n ASP 277 N 0.62 -4.67 -4.77 2.29 8.00 -0.64 -4.93 116.55 112.46 2bw4 n ASP 277 Ca -0.06 0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.09 2bw4 n ASP 277 Cb 0.52 -3.76 -0.02 0.00 -0.02 0.00 0.00 41.12 37.84 2bw4 n ASP 277 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2bw4 s GLN 278 N -4.52 4.27 -0.09 -1.24 -1.52 0.05 -4.80 119.66 111.81 2bw4 s GLN 278 Ca 0.00 2.16 -0.23 0.00 -1.95 0.00 0.00 55.36 55.34 2bw4 s GLN 278 Cb 0.00 -2.98 -0.29 0.00 -0.22 0.00 0.00 33.01 29.52 2bw4 s GLN 278 CO 0.00 -0.24 0.79 1.05 -0.25 0.00 0.00 175.29 176.64 2bw4 h GLU 279 N 3.20 0.20 -3.62 2.91 4.11 -1.91 0.20 114.58 119.67 2bw4 h GLU 279 Ca -0.49 -0.34 -0.08 0.00 0.07 0.00 0.00 59.36 58.52 2bw4 h GLU 279 Cb 1.23 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.46 2bw4 h GLU 279 CO 0.65 1.16 -0.28 0.99 0.07 0.00 0.00 179.01 181.60 2bw4 s THR 280 N -2.37 0.12 0.21 -1.06 2.01 -1.26 -4.35 115.64 108.93 2bw4 s THR 280 Ca -0.16 -0.95 -0.22 0.00 0.31 0.00 0.00 61.69 60.67 2bw4 s THR 280 Cb 0.00 -1.21 0.05 0.00 0.01 0.00 0.00 72.50 71.35 2bw4 s THR 280 CO 0.78 -0.52 0.65 -1.66 -0.69 0.00 0.00 174.62 173.17 2bw4 s TRP 281 N -3.57 -0.38 -0.29 4.92 -2.14 -1.17 -5.01 118.94 111.30 2bw4 s TRP 281 Ca 0.02 0.05 -0.07 0.00 2.66 0.00 0.00 56.10 58.76 2bw4 s TRP 281 Cb 0.03 0.62 -0.00 0.00 -3.10 0.00 0.00 33.47 31.02 2bw4 s TRP 281 CO -0.10 -1.02 0.09 -1.17 -2.66 0.00 0.00 176.95 172.09 2bw4 s LEU 282 N -2.83 3.81 -0.41 -4.66 1.98 -1.26 -2.70 118.68 112.62 2bw4 s LEU 282 Ca 0.06 -0.57 -0.15 0.00 -2.89 0.00 0.00 54.13 50.58 2bw4 s LEU 282 Cb -0.03 -1.91 0.02 0.00 0.66 0.00 0.00 46.19 44.92 2bw4 s LEU 282 CO -0.04 -0.16 0.30 -0.63 -1.89 0.00 0.00 176.35 173.93 2bw4 s ILE 283 N 1.55 5.26 0.59 6.68 1.01 -0.18 -4.59 121.20 131.51 2bw4 s ILE 283 Ca 0.04 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 2bw4 s ILE 283 Cb -0.17 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2bw4 s ILE 283 CO 0.03 -0.30 1.17 -2.84 0.00 0.00 0.00 174.94 173.00 2bw4 s PRO 284 N 1.70 3.05 0.29 2.79 0.02 -1.26 -1.25 135.00 140.34 2bw4 s PRO 284 Ca 0.05 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.47 2bw4 s PRO 284 Cb -0.19 -1.96 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 2bw4 s PRO 284 CO 0.10 -1.11 1.35 0.41 -0.33 0.00 0.00 177.00 177.42 2bw4 n GLY 285 N 0.25 0.68 1.26 0.52 0.00 -1.22 -1.75 105.19 104.93 2bw4 n GLY 285 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2bw4 n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw4 n GLY 286 N 1.48 0.62 3.04 -0.02 0.00 0.73 -4.75 105.19 106.28 2bw4 n GLY 286 Ca 0.08 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 2bw4 n GLY 286 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bw4 s THR 287 N -2.00 0.19 -0.02 2.61 2.01 -0.72 -4.75 115.64 112.96 2bw4 s THR 287 Ca 0.00 -1.37 0.03 0.00 0.31 0.00 0.00 61.69 60.66 2bw4 s THR 287 Cb 0.00 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2bw4 s THR 287 CO 0.00 -0.75 -0.08 0.00 -0.69 0.00 0.00 174.62 173.10 2bw4 s ALA 288 N -2.69 2.96 0.37 7.40 0.00 -1.26 -1.89 121.76 126.65 2bw4 s ALA 288 Ca -0.04 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2bw4 s ALA 288 Cb -0.01 -1.12 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 2bw4 s ALA 288 CO -0.05 0.60 0.04 0.20 0.00 0.00 0.00 175.76 176.54 2bw4 s GLY 289 N -1.21 2.29 -0.07 0.00 0.00 0.05 -3.13 107.32 105.25 2bw4 s GLY 289 Ca 0.15 -2.10 -0.05 0.00 0.00 0.00 0.00 44.72 42.72 2bw4 s GLY 289 CO 0.05 -1.94 0.18 0.00 0.00 0.00 0.00 173.10 171.39 2bw4 s ALA 290 N -3.05 -0.42 -0.04 3.20 0.00 -0.66 -1.01 121.76 119.79 2bw4 s ALA 290 Ca 0.35 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.94 2bw4 s ALA 290 Cb 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2bw4 s ALA 290 CO 0.16 -0.11 -0.14 0.00 0.00 0.00 0.00 175.76 175.67 2bw4 s ALA 291 N 0.45 1.24 -0.13 0.00 0.00 -0.52 -0.67 121.76 122.13 2bw4 s ALA 291 Ca -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 2bw4 s ALA 291 Cb -0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2bw4 s ALA 291 CO -0.02 0.21 -0.09 0.12 0.00 0.00 0.00 175.76 175.98 2bw4 s PHE 292 N 0.14 2.90 -0.03 0.00 2.19 0.53 -0.44 117.98 123.27 2bw4 s PHE 292 Ca -0.04 -0.41 -0.03 0.00 0.33 0.00 0.00 56.93 56.78 2bw4 s PHE 292 Cb -0.11 -1.86 0.01 0.00 -1.31 0.00 0.00 43.02 39.75 2bw4 s PHE 292 CO 0.02 -0.06 0.08 -0.47 1.83 0.00 0.00 175.22 176.61 2bw4 s TYR 293 N 0.17 -0.06 -0.29 10.12 5.04 -0.20 -0.69 117.35 131.43 2bw4 s TYR 293 Ca -0.05 0.16 -0.09 0.00 -2.44 0.00 0.00 57.07 54.65 2bw4 s TYR 293 Cb -0.14 0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.16 2bw4 s TYR 293 CO 0.04 -0.06 0.13 0.99 -1.34 0.00 0.00 175.55 175.31 2bw4 s THR 294 N -0.10 4.59 0.34 4.34 2.01 -1.26 -0.50 115.64 125.06 2bw4 s THR 294 Ca -0.02 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 2bw4 s THR 294 Cb -0.01 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 2bw4 s THR 294 CO 0.00 0.15 1.27 -0.36 -0.69 0.00 0.00 174.62 175.00 2bw4 s PHE 295 N 1.63 3.09 0.00 4.92 0.08 -0.72 -4.88 117.98 122.09 2bw4 s PHE 295 Ca 0.05 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2bw4 s PHE 295 Cb -0.16 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 2bw4 s PHE 295 CO 0.06 -1.69 0.00 0.54 -0.10 0.00 0.00 175.22 174.03 2bw4 n ARG 296 N 0.72 4.94 -3.97 0.44 1.74 -1.26 -0.29 116.66 118.98 2bw4 n ARG 296 Ca 0.01 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 2bw4 n ARG 296 Cb 0.43 -0.55 -0.13 0.00 -1.02 0.00 0.00 32.46 31.19 2bw4 n ARG 296 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2bw4 s GLN 297 N -1.07 0.23 0.89 5.56 -1.52 -1.26 -4.66 119.66 117.83 2bw4 s GLN 297 Ca 0.00 -0.33 -0.13 0.00 -1.95 0.00 0.00 55.36 52.94 2bw4 s GLN 297 Cb 0.00 -0.05 0.16 0.00 -0.22 0.00 0.00 33.01 32.90 2bw4 s GLN 297 CO 0.00 0.00 1.25 -1.25 -0.25 0.00 0.00 175.29 175.04 2bw4 s PRO 298 N -0.72 1.14 0.00 2.91 0.04 -1.26 -4.81 135.00 132.30 2bw4 s PRO 298 Ca -0.07 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.67 2bw4 s PRO 298 Cb -0.05 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2bw4 s PRO 298 CO -0.00 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.37 2bw4 n GLY 299 N -3.54 -0.47 3.76 0.56 0.00 0.13 -4.92 105.19 100.71 2bw4 n GLY 299 Ca 0.13 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 2bw4 n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bw4 s VAL 300 N 0.00 4.82 0.21 1.61 1.01 -1.26 -0.95 120.40 125.84 2bw4 s VAL 300 Ca 0.00 1.42 0.11 0.00 0.00 0.00 0.00 61.98 63.51 2bw4 s VAL 300 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2bw4 s VAL 300 CO 0.00 0.40 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 2bw4 s TYR 301 N -0.16 2.24 -0.09 5.22 1.51 -0.20 -4.99 117.35 120.89 2bw4 s TYR 301 Ca 0.34 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 56.08 2bw4 s TYR 301 Cb -0.19 -1.07 -0.00 0.00 -0.11 0.00 0.00 41.96 40.58 2bw4 s TYR 301 CO 0.20 0.53 -0.24 0.00 -1.11 0.00 0.00 175.55 174.94 2bw4 s ALA 302 N -1.93 2.12 -0.24 3.71 0.00 -1.23 -1.06 121.76 123.12 2bw4 s ALA 302 Ca 0.22 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 2bw4 s ALA 302 Cb -0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2bw4 s ALA 302 CO 0.11 0.32 0.04 -0.47 0.00 0.00 0.00 175.76 175.75 2bw4 s TYR 303 N 0.20 3.05 0.07 0.00 5.04 0.32 0.18 117.35 126.22 2bw4 s TYR 303 Ca -0.14 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 53.94 2bw4 s TYR 303 Cb -0.17 -2.19 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 2bw4 s TYR 303 CO 0.07 -0.40 -0.05 0.14 -1.34 0.00 0.00 175.55 173.97 2bw4 s VAL 304 N 1.54 0.48 -0.14 3.14 -7.23 -0.17 -0.58 120.40 117.44 2bw4 s VAL 304 Ca 0.06 -1.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 2bw4 s VAL 304 Cb -0.15 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 2bw4 s VAL 304 CO 0.02 -0.89 1.17 0.21 -0.31 0.00 0.00 175.10 175.29 2bw4 s ASN 305 N -2.89 7.04 -0.12 4.85 3.84 -0.81 -0.88 114.94 125.97 2bw4 s ASN 305 Ca 0.08 1.65 0.03 0.00 0.21 0.00 0.00 52.86 54.83 2bw4 s ASN 305 Cb 0.05 -2.55 0.25 0.00 -0.55 0.00 0.00 41.25 38.45 2bw4 s ASN 305 CO -0.07 -0.66 1.13 1.57 -2.79 0.00 0.00 177.10 176.29 2bw4 n HIS 306 N 5.97 0.88 -2.73 0.43 -0.00 0.28 -3.91 115.22 116.14 2bw4 n HIS 306 Ca 0.12 -0.63 -0.42 0.00 -0.00 0.00 0.00 57.72 56.78 2bw4 n HIS 306 Cb 0.46 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.99 30.04 2bw4 n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2bw4 s ASN 307 N 0.01 6.26 0.52 0.26 3.84 -1.26 -4.92 114.94 119.64 2bw4 s ASN 307 Ca 0.19 -0.50 0.34 0.00 0.21 0.00 0.00 52.86 53.09 2bw4 s ASN 307 Cb 0.15 -2.48 1.53 0.00 -0.55 0.00 0.00 41.25 39.90 2bw4 s ASN 307 CO 0.04 -1.49 2.01 -0.07 -2.79 0.00 0.00 177.10 174.80 2bw4 h LEU 308 N 11.76 0.00 -0.12 3.21 3.38 -1.99 0.10 115.31 131.64 2bw4 h LEU 308 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2bw4 h LEU 308 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2bw4 h LEU 308 CO 1.18 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 180.08 2bw4 h ILE 309 N 0.00 1.29 -0.94 1.22 2.04 -1.91 -0.10 117.51 119.10 2bw4 h ILE 309 Ca 0.00 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 64.93 2bw4 h ILE 309 Cb 0.34 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 2bw4 h ILE 309 CO 0.00 0.28 0.61 -0.33 0.00 0.00 0.00 178.15 178.71 2bw4 h GLU 310 N -0.08 1.16 0.52 2.37 5.08 -1.42 0.11 114.58 122.32 2bw4 h GLU 310 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2bw4 h GLU 310 Cb 0.44 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2bw4 h GLU 310 CO 0.01 0.77 -0.25 0.00 -1.00 0.00 0.00 179.01 178.54 2bw4 h ALA 311 N 1.38 -0.70 0.00 3.43 0.00 -0.99 -1.12 119.26 121.26 2bw4 h ALA 311 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bw4 h ALA 311 Cb -0.02 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bw4 h ALA 311 CO -0.11 -0.71 -1.50 1.19 0.00 0.00 0.00 179.25 178.12 2bw4 n PHE 312 N -5.26 0.23 -0.11 0.00 3.72 -0.06 -1.96 117.46 114.02 2bw4 n PHE 312 Ca -0.10 0.07 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 2bw4 n PHE 312 Cb 0.31 -0.51 -0.12 0.00 -0.94 0.00 0.00 39.48 38.23 2bw4 n PHE 312 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2bw4 n GLU 313 N -2.18 0.74 -0.00 -1.08 -0.58 -0.05 -4.74 120.64 112.75 2bw4 n GLU 313 Ca -0.01 0.09 0.09 0.00 -0.42 0.00 0.00 57.16 56.91 2bw4 n GLU 313 Cb 0.51 -1.45 -0.12 0.00 -0.57 0.00 0.00 31.44 29.81 2bw4 n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2bw4 n LEU 314 N -3.00 0.81 0.00 -4.62 4.77 -0.77 -5.00 117.00 109.18 2bw4 n LEU 314 Ca -0.37 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2bw4 n LEU 314 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 2bw4 n LEU 314 CO 0.27 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2bw4 n GLY 315 N 1.45 0.87 2.70 -0.72 0.00 -0.70 -1.25 105.19 107.54 2bw4 n GLY 315 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2bw4 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw4 n ALA 316 N 0.00 6.00 -3.57 4.61 0.00 0.25 -4.05 120.51 123.76 2bw4 n ALA 316 Ca 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 53.44 49.06 2bw4 n ALA 316 Cb 0.00 -2.81 -0.11 0.00 0.00 0.00 0.00 19.45 16.52 2bw4 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bw4 s ALA 317 N -0.69 -0.93 0.35 0.00 0.00 -1.25 -1.93 121.76 117.30 2bw4 s ALA 317 Ca 0.45 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.75 2bw4 s ALA 317 Cb 0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2bw4 s ALA 317 CO -0.03 -0.23 0.16 0.41 0.00 0.00 0.00 175.76 176.07 2bw4 n GLY 318 N 3.84 3.26 3.20 0.00 0.00 0.25 -4.50 105.19 111.24 2bw4 n GLY 318 Ca -0.21 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 2bw4 n GLY 318 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bw4 s HIS 319 N -2.99 1.36 -0.01 1.61 3.76 0.17 -0.52 115.29 118.66 2bw4 s HIS 319 Ca 0.23 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 2bw4 s HIS 319 Cb 0.01 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 2bw4 s HIS 319 CO 0.16 0.10 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.07 2bw4 s PHE 320 N -1.35 3.04 -0.23 1.40 0.08 -0.22 -0.84 117.98 119.86 2bw4 s PHE 320 Ca 0.01 0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 2bw4 s PHE 320 Cb -0.09 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.68 2bw4 s PHE 320 CO 0.03 0.44 -0.03 0.21 -0.10 0.00 0.00 175.22 175.76 2bw4 s LYS 321 N -1.41 3.29 -0.12 0.44 2.20 0.25 -1.03 119.74 123.37 2bw4 s LYS 321 Ca 0.18 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 2bw4 s LYS 321 Cb -0.11 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 2bw4 s LYS 321 CO 0.08 -0.24 -0.17 0.08 -0.36 0.00 0.00 175.35 174.74 2bw4 s VAL 322 N 1.46 2.66 -0.00 4.02 1.01 -0.13 -2.41 120.40 127.02 2bw4 s VAL 322 Ca 0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2bw4 s VAL 322 Cb -0.15 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2bw4 s VAL 322 CO -0.03 0.54 0.26 0.42 0.00 0.00 0.00 175.10 176.28 2bw4 s THR 323 N 0.34 5.32 -5.00 3.92 -4.23 -0.39 -0.69 115.64 114.90 2bw4 s THR 323 Ca -0.14 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2bw4 s THR 323 Cb -0.17 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2bw4 s THR 323 CO 0.07 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 2bw4 n GLY 324 N 1.16 0.91 3.88 3.99 0.00 -1.26 -0.65 105.19 113.22 2bw4 n GLY 324 Ca -0.12 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2bw4 n GLY 324 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bw4 s GLU 325 N -2.00 3.72 0.03 1.61 4.04 -1.26 -4.65 118.70 120.20 2bw4 s GLU 325 Ca 0.00 0.11 -0.23 0.00 0.04 0.00 0.00 54.97 54.89 2bw4 s GLU 325 Cb 0.00 -2.82 -0.06 0.00 0.02 0.00 0.00 34.13 31.27 2bw4 s GLU 325 CO 0.00 0.44 0.69 -0.46 -1.84 0.00 0.00 175.26 174.09 2bw4 s TRP 326 N -1.64 3.73 -0.49 4.83 -0.11 -1.26 -4.25 118.94 119.75 2bw4 s TRP 326 Ca 0.41 1.36 -0.14 0.00 1.22 0.00 0.00 56.10 58.94 2bw4 s TRP 326 Cb -0.12 -2.71 0.10 0.00 -1.50 0.00 0.00 33.47 29.23 2bw4 s TRP 326 CO 0.22 0.33 0.42 1.21 -4.62 0.00 0.00 176.95 174.51 2bw4 s ASN 327 N -0.22 6.07 0.41 5.86 3.84 -1.26 -4.95 114.94 124.69 2bw4 s ASN 327 Ca 0.35 -1.57 0.27 0.00 0.21 0.00 0.00 52.86 52.12 2bw4 s ASN 327 Cb -0.20 -2.16 0.89 0.00 -0.55 0.00 0.00 41.25 39.23 2bw4 s ASN 327 CO 0.21 -0.72 1.79 0.44 -2.79 0.00 0.00 177.10 176.02 2bw4 h ASP 328 N 8.74 0.00 -0.46 -4.21 3.32 -1.97 -2.55 116.42 119.29 2bw4 h ASP 328 Ca -0.28 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2bw4 h ASP 328 Cb 1.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2bw4 h ASP 328 CO 0.92 0.00 0.11 -0.78 -1.72 0.00 0.00 179.24 177.77 2bw4 h ASP 329 N 0.00 0.70 -0.15 6.45 3.58 -2.02 -3.23 116.42 121.75 2bw4 h ASP 329 Ca 0.00 -0.24 -0.15 0.00 0.42 0.00 0.00 57.03 57.06 2bw4 h ASP 329 Cb 0.68 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2bw4 h ASP 329 CO 0.00 0.75 -0.44 -0.07 -2.88 0.00 0.00 179.24 176.60 2bw4 h LEU 330 N 0.61 0.75 -7.00 2.28 3.38 -1.92 -3.45 115.31 109.97 2bw4 h LEU 330 Ca 0.14 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2bw4 h LEU 330 Cb 0.33 -0.21 -0.22 0.00 0.09 0.00 0.00 40.66 40.65 2bw4 h LEU 330 CO 0.00 1.09 0.14 -0.32 0.09 0.00 0.00 178.44 179.44 2bw4 s MET 331 N -4.23 0.76 0.04 1.13 0.00 -0.99 -5.14 119.30 110.88 2bw4 s MET 331 Ca -0.09 1.01 -0.17 0.00 0.00 0.00 0.00 55.69 56.44 2bw4 s MET 331 Cb 0.12 0.32 0.03 0.00 0.00 0.00 0.00 34.83 35.30 2bw4 s MET 331 CO 0.85 -0.11 0.39 -0.08 0.00 0.00 0.00 175.02 176.07 2bw4 s THR 332 N 0.72 0.06 -0.49 10.11 -1.32 -1.25 -4.04 115.64 119.42 2bw4 s THR 332 Ca -0.03 -0.49 -0.26 0.00 -1.21 0.00 0.00 61.69 59.71 2bw4 s THR 332 Cb -0.05 -0.92 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2bw4 s THR 332 CO -0.05 -0.27 0.96 -0.55 -2.21 0.00 0.00 174.62 172.49 2bw4 s SER 333 N -1.94 6.47 0.03 8.08 0.15 -1.26 -4.92 113.70 120.31 2bw4 s SER 333 Ca -0.06 0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.42 2bw4 s SER 333 Cb -0.01 -2.46 -0.17 0.00 -1.71 0.00 0.00 66.02 61.67 2bw4 s SER 333 CO -0.02 -1.13 1.25 0.58 1.20 0.00 0.00 173.24 175.13 2bw4 h VAL 334 N 6.08 1.38 -3.39 4.45 2.07 -2.01 -3.41 116.25 121.42 2bw4 h VAL 334 Ca -0.24 -1.62 -0.55 0.00 0.82 0.00 0.00 66.70 65.10 2bw4 h VAL 334 Cb 1.07 2.12 -0.39 0.00 -1.52 0.00 0.00 31.29 32.57 2bw4 h VAL 334 CO 1.06 0.48 -0.78 -0.69 0.02 0.00 0.00 177.57 177.66 2bw4 s VAL 335 N -3.88 0.95 0.67 2.57 1.01 -1.26 -5.13 120.40 115.34 2bw4 s VAL 335 Ca -0.14 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 2bw4 s VAL 335 Cb 0.05 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2bw4 s VAL 335 CO 0.79 -0.07 1.20 -0.54 0.00 0.00 0.00 175.10 176.48 2bw4 s LYS 336 N 1.67 2.50 0.00 2.72 1.02 -1.26 -4.87 119.74 121.52 2bw4 s LYS 336 Ca -0.02 1.76 -0.38 0.00 0.02 0.00 0.00 55.97 57.35 2bw4 s LYS 336 Cb -0.17 -1.88 -0.17 0.00 -0.52 0.00 0.00 37.83 35.09 2bw4 s LYS 336 CO -0.07 -1.56 1.38 -2.30 -0.92 0.00 0.00 175.35 171.88 2bw4 n PRO 337 N -2.29 0.99 -3.51 -1.68 -0.02 -1.26 -4.95 135.00 122.29 2bw4 n PRO 337 Ca 0.13 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 2bw4 n PRO 337 Cb 0.50 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 2bw4 n PRO 337 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bw4 s ALA 338 N 0.99 -1.52 -0.14 3.55 0.00 -1.26 -5.13 121.76 118.26 2bw4 s ALA 338 Ca 0.88 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.35 2bw4 s ALA 338 Cb -1.02 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2bw4 s ALA 338 CO 0.52 -0.57 0.65 -1.54 0.00 0.00 0.00 175.76 174.82 2bw4 s SER 339 N -2.06 6.81 0.00 0.00 1.04 -1.26 -5.26 113.70 112.96 2bw4 s SER 339 Ca -0.04 0.98 0.31 0.00 0.48 0.00 0.00 55.95 57.67 2bw4 s SER 339 Cb -0.01 -2.37 1.67 0.00 0.10 0.00 0.00 66.02 65.41 2bw4 s SER 339 CO -0.03 -0.20 2.09 0.23 0.98 0.00 0.00 173.24 176.32