#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwm n VAL 4 N 0.00 0.34 -3.71 0.00 3.14 -1.26 -4.32 118.33 112.52 1bwm n VAL 4 Ca 0.00 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1bwm n VAL 4 Cb 0.00 -2.11 0.00 0.00 -1.06 0.00 0.00 33.84 30.67 1bwm n VAL 4 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1bwm n THR 5 N 7.07 0.00 -3.73 1.55 -2.24 -1.10 -3.82 114.28 112.01 1bwm n THR 5 Ca 0.33 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.01 1bwm n THR 5 Cb 0.34 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1bwm n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwm s GLN 6 N -1.12 1.43 -0.87 -0.78 1.03 -1.21 -2.62 119.66 115.53 1bwm s GLN 6 Ca 0.00 -0.85 -0.33 0.00 0.04 0.00 0.00 55.36 54.22 1bwm s GLN 6 Cb 0.00 0.54 -0.20 0.00 0.03 0.00 0.00 33.01 33.37 1bwm s GLN 6 CO 0.00 -0.62 2.57 0.43 -2.54 0.00 0.00 175.29 175.14 1bwm n SER 7 N -0.36 0.52 0.04 12.60 7.64 0.20 -4.75 113.62 129.50 1bwm n SER 7 Ca -0.10 0.24 0.01 0.00 1.01 0.00 0.00 58.87 60.03 1bwm n SER 7 Cb 0.62 -0.96 0.33 0.00 -1.01 0.00 0.00 64.21 63.19 1bwm n SER 7 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1bwm h PRO 8 N 11.83 0.43 -7.17 1.43 0.14 -1.94 -3.41 132.00 133.31 1bwm h PRO 8 Ca -0.07 -0.09 -0.54 0.00 0.14 0.00 0.00 66.00 65.43 1bwm h PRO 8 Cb 1.33 -0.06 0.18 0.00 0.14 0.00 0.00 31.00 32.59 1bwm h PRO 8 CO 1.32 0.49 0.33 2.89 0.14 0.00 0.00 178.00 183.17 1bwm n ARG 9 N -4.28 0.31 -3.70 0.86 -4.01 -1.26 -5.03 116.66 99.55 1bwm n ARG 9 Ca 0.01 0.18 -0.17 0.00 -1.04 0.00 0.00 57.85 56.82 1bwm n ARG 9 Cb 0.25 -2.43 -0.17 0.00 -3.04 0.00 0.00 32.46 27.08 1bwm n ARG 9 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 1bwm s ASN 10 N -1.99 0.63 0.13 2.89 3.04 -1.26 -4.91 114.94 113.46 1bwm s ASN 10 Ca 0.74 0.15 -0.25 0.00 0.04 0.00 0.00 52.86 53.55 1bwm s ASN 10 Cb -0.31 0.01 0.07 0.00 -1.54 0.00 0.00 41.25 39.48 1bwm s ASN 10 CO 0.50 -0.21 0.76 -0.75 -3.04 0.00 0.00 177.10 174.36 1bwm s LYS 11 N 1.79 1.21 0.06 0.43 2.20 -1.26 -5.15 119.74 119.02 1bwm s LYS 11 Ca -0.01 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.10 1bwm s LYS 11 Cb -0.12 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 1bwm s LYS 11 CO -0.04 -0.54 0.08 0.54 -0.36 0.00 0.00 175.35 175.03 1bwm s VAL 12 N -3.52 4.55 0.53 4.02 0.11 -1.26 -4.60 120.40 120.22 1bwm s VAL 12 Ca 0.05 -0.71 0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1bwm s VAL 12 Cb -0.02 -3.17 0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1bwm s VAL 12 CO -0.07 0.17 0.34 0.00 -3.33 0.00 0.00 175.10 172.21 1bwm s ALA 13 N -1.35 4.33 0.24 1.54 0.00 -0.49 -4.95 121.76 121.07 1bwm s ALA 13 Ca 0.28 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1bwm s ALA 13 Cb -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1bwm s ALA 13 CO 0.20 -0.37 0.01 1.33 0.00 0.00 0.00 175.76 176.93 1bwm n VAL 14 N -1.66 0.00 -1.42 0.00 0.24 -1.26 -2.69 118.33 111.54 1bwm n VAL 14 Ca -0.04 -1.12 -0.56 0.00 -2.04 0.00 0.00 64.34 60.59 1bwm n VAL 14 Cb 0.65 0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 33.13 1bwm n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1bwm n THR 15 N -0.61 0.12 -3.59 3.34 -1.04 0.22 0.28 114.28 113.01 1bwm n THR 15 Ca -0.10 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.05 61.57 1bwm n THR 15 Cb 0.30 -1.10 0.07 0.00 -1.82 0.00 0.00 70.33 67.78 1bwm n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 16 N 6.49 -0.46 0.00 3.41 0.00 -0.34 -4.91 105.19 109.38 1bwm n GLY 16 Ca 0.44 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1bwm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 17 N -1.67 1.63 3.61 -0.02 0.00 0.14 -4.58 105.19 104.31 1bwm n GLY 17 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1bwm n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm s LYS 18 N 0.00 0.38 -0.19 1.61 -0.14 -1.26 -4.62 119.74 115.52 1bwm s LYS 18 Ca 0.00 -0.18 -0.05 0.00 -1.36 0.00 0.00 55.97 54.39 1bwm s LYS 18 Cb 0.00 0.15 0.08 0.00 -1.68 0.00 0.00 37.83 36.37 1bwm s LYS 18 CO 0.00 -0.17 0.15 0.08 -0.76 0.00 0.00 175.35 174.65 1bwm s VAL 19 N -2.45 -0.19 -0.33 3.17 1.01 -1.10 -4.75 120.40 115.77 1bwm s VAL 19 Ca 0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 1bwm s VAL 19 Cb 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1bwm s VAL 19 CO -0.04 -0.26 0.38 -0.89 0.00 0.00 0.00 175.10 174.29 1bwm s THR 20 N 2.22 5.15 -0.17 3.92 2.01 -1.26 -2.25 115.64 125.26 1bwm s THR 20 Ca 0.04 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1bwm s THR 20 Cb -0.16 -3.81 0.05 0.00 0.01 0.00 0.00 72.50 68.60 1bwm s THR 20 CO -0.11 -0.05 0.03 -0.76 -0.69 0.00 0.00 174.62 173.05 1bwm s LEU 21 N 2.08 0.99 -0.19 4.42 1.43 -0.94 -4.77 118.68 121.69 1bwm s LEU 21 Ca 0.13 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1bwm s LEU 21 Cb -0.16 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1bwm s LEU 21 CO 0.11 -0.28 -0.15 -0.94 0.23 0.00 0.00 176.35 175.32 1bwm s SER 22 N 1.90 3.34 -0.07 2.29 1.04 -1.26 -2.16 113.70 118.79 1bwm s SER 22 Ca 0.01 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 55.67 1bwm s SER 22 Cb -0.16 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 1bwm s SER 22 CO -0.07 -0.08 -0.20 0.00 0.98 0.00 0.00 173.24 173.86 1bwm s ASN 24 N -0.24 5.67 -0.10 0.00 0.01 -1.08 -2.41 114.94 116.78 1bwm s ASN 24 Ca -0.00 -0.38 -0.04 0.00 -0.71 0.00 0.00 52.86 51.73 1bwm s ASN 24 Cb -0.13 -0.91 0.05 0.00 0.41 0.00 0.00 41.25 40.68 1bwm s ASN 24 CO 0.03 -0.57 0.20 -1.58 -1.51 0.00 0.00 177.10 173.67 1bwm s GLN 25 N -4.22 0.08 -0.32 -0.60 0.74 -0.08 -2.70 119.66 112.57 1bwm s GLN 25 Ca 0.49 0.64 0.02 0.00 0.05 0.00 0.00 55.36 56.56 1bwm s GLN 25 Cb -0.09 -0.17 0.12 0.00 1.10 0.00 0.00 33.01 33.98 1bwm s GLN 25 CO 0.31 -0.30 1.14 -2.37 -0.55 0.00 0.00 175.29 173.52 1bwm n THR 26 N 5.33 0.00 -1.61 -0.34 5.66 -1.26 -4.18 114.28 117.88 1bwm n THR 26 Ca -0.05 -0.64 -0.04 0.00 -3.05 0.00 0.00 64.05 60.27 1bwm n THR 26 Cb 0.50 0.69 0.17 0.00 -1.55 0.00 0.00 70.33 70.14 1bwm n THR 26 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1bwm n ASN 27 N -0.27 2.67 -1.72 1.09 4.13 -1.26 -4.52 115.26 115.38 1bwm n ASN 27 Ca -0.23 -3.84 -0.10 0.00 1.68 0.00 0.00 54.58 52.09 1bwm n ASN 27 Cb 0.67 -0.55 0.03 0.00 -1.54 0.00 0.00 39.78 38.39 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1bwm n ASN 28 N -1.05 -3.78 -3.72 6.41 2.85 -1.26 -5.02 115.26 109.69 1bwm n ASN 28 Ca 0.30 -0.20 -0.22 0.00 -0.11 0.00 0.00 54.58 54.35 1bwm n ASN 28 Cb 0.86 -2.43 -0.18 0.00 1.24 0.00 0.00 39.78 39.28 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1bwm s HIS 29 N -3.05 0.39 -1.45 1.20 3.76 -1.26 -4.72 115.29 110.16 1bwm s HIS 29 Ca 0.22 0.02 0.28 0.00 -0.15 0.00 0.00 55.06 55.43 1bwm s HIS 29 Cb -0.10 -0.65 1.10 0.00 1.11 0.00 0.00 32.58 34.04 1bwm s HIS 29 CO 0.27 -0.27 1.79 0.09 -0.85 0.00 0.00 174.74 175.77 1bwm n ASN 30 N 5.22 0.42 -3.99 1.40 4.13 -1.26 -4.71 115.26 116.47 1bwm n ASN 30 Ca -0.05 -0.37 -0.30 0.00 1.68 0.00 0.00 54.58 55.54 1bwm n ASN 30 Cb 0.50 -0.09 -0.16 0.00 -1.54 0.00 0.00 39.78 38.49 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1bwm s ASN 31 N -2.64 3.19 0.05 6.41 -0.87 -1.26 -4.15 114.94 115.68 1bwm s ASN 31 Ca 0.24 -0.78 0.09 0.00 -1.57 0.00 0.00 52.86 50.83 1bwm s ASN 31 Cb 0.19 -1.19 -0.03 0.00 -0.02 0.00 0.00 41.25 40.20 1bwm s ASN 31 CO 0.52 -0.13 -0.24 -0.32 -2.57 0.00 0.00 177.10 174.36 1bwm s MET 32 N 1.44 1.58 0.33 -0.60 1.75 -0.89 -3.09 119.30 119.82 1bwm s MET 32 Ca 0.00 -1.06 0.09 0.00 -1.25 0.00 0.00 55.69 53.47 1bwm s MET 32 Cb -0.15 -1.76 -0.05 0.00 2.84 0.00 0.00 34.83 35.71 1bwm s MET 32 CO -0.09 0.45 0.03 0.71 -0.65 0.00 0.00 175.02 175.47 1bwm s TYR 33 N -0.83 2.59 -0.09 4.11 1.51 -0.16 -2.24 117.35 122.24 1bwm s TYR 33 Ca 0.10 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1bwm s TYR 33 Cb -0.09 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1bwm s TYR 33 CO 0.02 0.47 -0.08 -0.46 -1.11 0.00 0.00 175.55 174.40 1bwm s TRP 34 N -2.47 1.35 0.37 2.71 -0.00 0.34 -2.40 118.94 118.83 1bwm s TRP 34 Ca 0.35 -0.60 0.05 0.00 -0.00 0.00 0.00 56.10 55.89 1bwm s TRP 34 Cb -0.02 -1.12 -0.06 0.00 -0.00 0.00 0.00 33.47 32.28 1bwm s TRP 34 CO 0.20 -0.42 0.05 0.71 -0.00 0.00 0.00 176.95 177.49 1bwm s TYR 35 N 1.42 2.11 -0.01 5.86 1.51 -1.08 -2.67 117.35 124.50 1bwm s TYR 35 Ca -0.01 -0.90 -0.22 0.00 -1.01 0.00 0.00 57.07 54.93 1bwm s TYR 35 Cb -0.13 -1.44 0.05 0.00 -0.11 0.00 0.00 41.96 40.33 1bwm s TYR 35 CO -0.05 0.13 0.49 0.50 -1.11 0.00 0.00 175.55 175.51 1bwm s ARG 36 N -3.83 0.91 0.38 -0.62 3.00 -0.90 -2.65 118.95 115.23 1bwm s ARG 36 Ca 0.34 -0.06 -0.15 0.00 -1.00 0.00 0.00 55.73 54.86 1bwm s ARG 36 Cb 0.08 0.42 -0.09 0.00 0.00 0.00 0.00 34.95 35.36 1bwm s ARG 36 CO 0.15 -0.29 0.80 -1.14 0.00 0.00 0.00 175.30 174.83 1bwm s GLN 37 N -1.61 3.99 0.22 5.12 2.00 -0.91 -1.53 119.66 126.93 1bwm s GLN 37 Ca -0.10 0.73 0.00 0.00 -2.00 0.00 0.00 55.36 53.99 1bwm s GLN 37 Cb -0.02 -2.35 0.00 0.00 0.80 0.00 0.00 33.01 31.44 1bwm s GLN 37 CO 0.05 0.04 0.00 -0.25 -0.50 0.00 0.00 175.29 174.63 1bwm n ASP 38 N -0.72 -0.12 -2.92 6.67 8.00 -1.13 -4.35 116.55 121.97 1bwm n ASP 38 Ca 0.04 0.37 -0.07 0.00 0.71 0.00 0.00 54.79 55.84 1bwm n ASP 38 Cb 0.54 0.30 0.03 0.00 -0.02 0.00 0.00 41.12 41.97 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1bwm n THR 39 N -3.23 0.00 -0.09 -3.53 -1.04 -1.13 -4.96 114.28 100.30 1bwm n THR 39 Ca 0.00 -0.59 0.04 0.00 -2.04 0.00 0.00 64.05 61.46 1bwm n THR 39 Cb 0.00 -1.06 0.37 0.00 -1.82 0.00 0.00 70.33 67.82 1bwm n THR 39 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bwm h GLY 40 N -0.11 0.77 -0.62 3.41 0.00 -2.01 -3.31 103.07 101.20 1bwm h GLY 40 Ca -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1bwm h GLY 40 CO 0.13 0.26 -0.23 -2.39 0.00 0.00 0.00 176.54 174.30 1bwm n HIS 41 N -4.46 0.00 -3.60 5.60 1.44 -1.26 -5.06 115.22 107.88 1bwm n HIS 41 Ca 0.06 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.38 1bwm n HIS 41 Cb 0.09 0.03 -0.11 0.00 0.12 0.00 0.00 29.99 30.12 1bwm n HIS 41 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1bwm s GLY 42 N -0.46 1.92 0.54 -1.39 0.00 -1.25 -3.26 107.32 103.42 1bwm s GLY 42 Ca 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 44.72 43.39 1bwm s GLY 42 CO 0.00 0.69 0.65 1.04 0.00 0.00 0.00 173.10 175.48 1bwm n LEU 43 N 5.05 0.00 -3.15 0.66 4.77 -1.26 -2.84 117.00 120.23 1bwm n LEU 43 Ca -0.14 -0.71 0.05 0.00 -0.03 0.00 0.00 56.01 55.18 1bwm n LEU 43 Cb 0.51 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1bwm n LEU 43 CO 0.34 -1.17 0.39 -0.60 -1.33 0.00 0.00 177.39 175.02 1bwm s ARG 44 N -4.44 0.28 0.55 3.23 3.00 -0.58 -4.72 118.95 116.27 1bwm s ARG 44 Ca 0.38 0.31 -0.20 0.00 -1.00 0.00 0.00 55.73 55.22 1bwm s ARG 44 Cb -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 34.95 35.02 1bwm s ARG 44 CO 0.28 -0.51 1.17 -1.17 0.00 0.00 0.00 175.30 175.07 1bwm s LEU 45 N 2.92 3.76 0.00 -0.88 2.96 -1.26 -2.12 118.68 124.05 1bwm s LEU 45 Ca 0.20 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1bwm s LEU 45 Cb -0.05 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.11 1bwm s LEU 45 CO -0.23 -1.32 0.00 2.30 -1.32 0.00 0.00 176.35 175.78 1bwm n ILE 46 N -1.28 0.00 -4.13 6.68 -0.00 -1.09 -1.60 119.36 117.95 1bwm n ILE 46 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.78 1bwm n ILE 46 Cb 0.50 -0.09 -0.10 0.00 -0.00 0.00 0.00 39.64 39.95 1bwm n ILE 46 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1bwm s HIS 47 N -1.12 0.70 -0.30 4.28 5.04 -1.22 0.97 115.29 123.63 1bwm s HIS 47 Ca 0.00 -1.09 -0.16 0.00 -1.54 0.00 0.00 55.06 52.26 1bwm s HIS 47 Cb 0.00 -0.45 0.18 0.00 0.04 0.00 0.00 32.58 32.35 1bwm s HIS 47 CO 0.00 -0.38 1.10 1.52 -2.34 0.00 0.00 174.74 174.64 1bwm s TYR 48 N -3.90 -0.45 0.03 3.88 1.13 -1.26 -0.50 117.35 116.27 1bwm s TYR 48 Ca 0.13 0.73 0.01 0.00 -1.41 0.00 0.00 57.07 56.53 1bwm s TYR 48 Cb 0.07 0.25 -0.02 0.00 -1.10 0.00 0.00 41.96 41.17 1bwm s TYR 48 CO -0.05 -0.23 -0.04 -1.12 -2.51 0.00 0.00 175.55 171.60 1bwm s SER 49 N 2.39 0.43 -0.00 -0.18 0.01 -0.95 -4.44 113.70 110.95 1bwm s SER 49 Ca -0.01 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1bwm s SER 49 Cb -0.05 0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.25 1bwm s SER 49 CO -0.16 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.23 1bwm n TYR 50 N 1.61 0.00 -3.77 2.43 0.18 -1.26 -2.08 117.16 114.27 1bwm n TYR 50 Ca -0.23 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.49 1bwm n TYR 50 Cb 0.55 -0.01 -0.00 0.00 -0.38 0.00 0.00 39.34 39.50 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bwm n GLY 51 N 2.93 3.32 3.87 -7.48 0.00 -1.26 -4.43 105.19 102.14 1bwm n GLY 51 Ca -0.00 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 1bwm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 52 N -2.18 3.69 -1.06 4.61 0.00 -1.26 -4.26 121.76 121.29 1bwm s ALA 52 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1bwm s ALA 52 Cb -0.00 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1bwm s ALA 52 CO 0.03 0.55 0.90 0.41 0.00 0.00 0.00 175.76 177.65 1bwm n GLY 53 N 0.68 -0.26 2.51 0.00 0.00 0.97 -4.94 105.19 104.14 1bwm n GLY 53 Ca -0.06 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1bwm n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 54 N -3.78 1.29 -0.05 1.61 0.01 -1.26 -5.02 113.70 106.50 1bwm s SER 54 Ca 0.21 -2.52 -0.03 0.00 1.31 0.00 0.00 55.95 54.92 1bwm s SER 54 Cb -0.09 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1bwm s SER 54 CO 0.61 -0.19 0.09 0.42 0.41 0.00 0.00 173.24 174.58 1bwm s THR 55 N 0.55 4.90 0.04 1.44 -4.23 -1.26 -4.57 115.64 112.51 1bwm s THR 55 Ca 0.27 -0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.52 1bwm s THR 55 Cb -0.04 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 1bwm s THR 55 CO -0.12 0.47 0.13 -1.61 -0.54 0.00 0.00 174.62 172.95 1bwm s GLU 56 N -1.40 0.64 0.17 3.99 2.02 -1.26 -5.08 118.70 117.78 1bwm s GLU 56 Ca 0.19 -0.75 -0.24 0.00 0.02 0.00 0.00 54.97 54.19 1bwm s GLU 56 Cb -0.12 0.26 -0.08 0.00 0.10 0.00 0.00 34.13 34.29 1bwm s GLU 56 CO 0.09 -0.17 0.76 -1.59 0.02 0.00 0.00 175.26 174.37 1bwm s LYS 57 N -2.76 4.50 0.00 1.61 0.00 -1.26 -4.19 119.74 117.63 1bwm s LYS 57 Ca -0.04 1.09 0.00 0.00 0.00 0.00 0.00 55.97 57.03 1bwm s LYS 57 Cb -0.00 -3.20 0.00 0.00 0.00 0.00 0.00 37.83 34.63 1bwm s LYS 57 CO -0.05 0.55 0.00 0.41 0.00 0.00 0.00 175.35 176.25 1bwm n GLY 58 N 1.46 1.12 0.11 0.59 0.00 0.27 -4.89 105.19 103.85 1bwm n GLY 58 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1bwm n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bwm h ASP 59 N 0.00 0.35 -3.85 1.61 3.32 -1.53 -3.46 116.42 112.87 1bwm h ASP 59 Ca 0.00 -0.51 -0.49 0.00 0.02 0.00 0.00 57.03 56.05 1bwm h ASP 59 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1bwm h ASP 59 CO 0.00 1.43 0.19 0.27 -1.72 0.00 0.00 179.24 179.41 1bwm s ILE 60 N -2.62 4.70 0.00 0.35 -4.36 -1.26 -5.03 121.20 112.98 1bwm s ILE 60 Ca -0.09 0.84 0.00 0.00 -0.26 0.00 0.00 60.65 61.14 1bwm s ILE 60 Cb 0.07 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 40.07 1bwm s ILE 60 CO 0.85 -0.53 0.51 -0.81 0.24 0.00 0.00 174.94 175.20 1bwm n PRO 61 N -1.27 0.00 -2.67 0.37 -0.05 -1.26 -4.82 135.00 125.30 1bwm n PRO 61 Ca 0.04 0.10 -0.04 0.00 -0.05 0.00 0.00 63.50 63.55 1bwm n PRO 61 Cb 0.54 -1.03 0.06 0.00 -0.05 0.00 0.00 33.50 33.02 1bwm n PRO 61 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1bwm n ASP 62 N -0.80 -1.43 -1.72 3.54 2.03 -1.26 -4.70 116.55 112.21 1bwm n ASP 62 Ca 0.00 -1.51 -0.16 0.00 0.52 0.00 0.00 54.79 53.65 1bwm n ASP 62 Cb 0.00 0.76 0.17 0.00 -0.72 0.00 0.00 41.12 41.33 1bwm n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwm n GLY 63 N 1.97 5.00 3.51 0.27 0.00 -1.26 -4.99 105.19 109.69 1bwm n GLY 63 Ca 0.06 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1bwm n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bwm s TYR 65 N -3.36 0.82 -0.27 1.61 -0.85 -1.26 -4.63 117.35 109.41 1bwm s TYR 65 Ca 0.52 -1.11 0.01 0.00 -0.52 0.00 0.00 57.07 55.96 1bwm s TYR 65 Cb 0.44 -0.00 0.05 0.00 0.38 0.00 0.00 41.96 42.83 1bwm s TYR 65 CO 0.03 -1.07 -0.07 0.21 -1.52 0.00 0.00 175.55 173.13 1bwm s LYS 66 N -3.39 2.41 0.15 -3.49 2.47 0.46 -4.99 119.74 113.36 1bwm s LYS 66 Ca 0.28 -1.25 0.06 0.00 -1.56 0.00 0.00 55.97 53.50 1bwm s LYS 66 Cb -0.00 -2.98 -0.04 0.00 -1.46 0.00 0.00 37.83 33.34 1bwm s LYS 66 CO 0.16 -0.55 -0.14 0.00 0.16 0.00 0.00 175.35 174.98 1bwm s ALA 67 N 1.19 1.67 0.05 3.13 0.00 -1.26 -0.41 121.76 126.13 1bwm s ALA 67 Ca -0.06 -1.46 -0.22 0.00 0.00 0.00 0.00 51.96 50.22 1bwm s ALA 67 Cb -0.19 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1bwm s ALA 67 CO -0.04 0.05 0.52 -1.54 0.00 0.00 0.00 175.76 174.76 1bwm s SER 68 N -2.88 -0.45 -0.51 0.00 1.04 -0.08 -4.97 113.70 105.84 1bwm s SER 68 Ca 0.15 0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.81 1bwm s SER 68 Cb -0.02 0.50 0.21 0.00 0.10 0.00 0.00 66.02 66.81 1bwm s SER 68 CO 0.04 -0.73 0.52 -1.14 0.98 0.00 0.00 173.24 172.90 1bwm n ARG 69 N 0.37 1.19 -0.29 4.02 3.00 -1.26 -2.62 116.66 121.07 1bwm n ARG 69 Ca -0.18 -3.78 -0.02 0.00 -0.00 0.00 0.00 57.85 53.86 1bwm n ARG 69 Cb 0.60 -1.79 0.09 0.00 0.00 0.00 0.00 32.46 31.37 1bwm n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1bwm h PRO 70 N 4.77 0.98 -5.12 -0.14 0.13 -1.97 0.28 132.00 130.92 1bwm h PRO 70 Ca 0.17 -0.06 -0.37 0.00 -0.87 0.00 0.00 66.00 64.87 1bwm h PRO 70 Cb 0.81 -0.22 -0.21 0.00 0.13 0.00 0.00 31.00 31.51 1bwm h PRO 70 CO 0.57 0.65 -0.77 -1.12 -0.23 0.00 0.00 178.00 177.10 1bwm s SER 71 N -5.84 1.44 0.61 1.44 0.01 -1.21 -4.47 113.70 105.67 1bwm s SER 71 Ca -0.13 -0.59 0.40 0.00 1.31 0.00 0.00 55.95 56.94 1bwm s SER 71 Cb 0.16 -0.03 2.08 0.00 0.21 0.00 0.00 66.02 68.45 1bwm s SER 71 CO 0.78 -0.11 2.22 -0.61 0.41 0.00 0.00 173.24 175.94 1bwm h GLN 72 N 4.37 0.00 0.00 12.44 4.15 -1.84 -2.22 115.11 132.01 1bwm h GLN 72 Ca -0.39 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 58.79 1bwm h GLN 72 Cb 1.19 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 1bwm h GLN 72 CO 0.40 0.00 -2.05 0.39 -1.93 0.00 0.00 178.83 175.65 1bwm n GLU 73 N -2.99 0.66 -4.01 1.69 1.02 -1.26 -4.41 120.64 111.34 1bwm n GLU 73 Ca -0.02 0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1bwm n GLU 73 Cb 0.12 -1.60 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 1bwm n GLU 73 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1bwm s ASN 74 N -5.37 4.63 -0.09 1.62 -0.87 -0.83 -0.90 114.94 113.12 1bwm s ASN 74 Ca -0.08 -0.28 -0.01 0.00 -1.57 0.00 0.00 52.86 50.93 1bwm s ASN 74 Cb 0.09 -1.79 0.03 0.00 -0.02 0.00 0.00 41.25 39.55 1bwm s ASN 74 CO 0.84 0.03 -0.04 0.12 -2.57 0.00 0.00 177.10 175.48 1bwm s PHE 75 N 1.22 1.09 0.02 2.20 5.36 -1.01 -3.29 117.98 123.56 1bwm s PHE 75 Ca 0.03 -0.46 0.07 0.00 -0.96 0.00 0.00 56.93 55.61 1bwm s PHE 75 Cb -0.15 -1.02 -0.03 0.00 -0.34 0.00 0.00 43.02 41.49 1bwm s PHE 75 CO 0.00 -0.42 -0.22 -1.54 -1.46 0.00 0.00 175.22 171.59 1bwm s SER 76 N 1.81 3.50 -0.28 6.13 1.04 -1.08 -2.05 113.70 122.78 1bwm s SER 76 Ca 0.05 -0.45 -0.22 0.00 0.48 0.00 0.00 55.95 55.80 1bwm s SER 76 Cb -0.12 -0.50 0.08 0.00 0.10 0.00 0.00 66.02 65.58 1bwm s SER 76 CO -0.07 0.28 0.76 -0.22 0.98 0.00 0.00 173.24 174.98 1bwm s LEU 77 N -1.13 -0.76 0.27 2.42 1.98 -0.92 -0.90 118.68 119.65 1bwm s LEU 77 Ca 0.12 1.37 -0.04 0.00 -2.89 0.00 0.00 54.13 52.69 1bwm s LEU 77 Cb -0.10 2.34 -0.02 0.00 0.66 0.00 0.00 46.19 49.07 1bwm s LEU 77 CO 0.02 -0.23 0.36 0.27 -1.89 0.00 0.00 176.35 174.88 1bwm s ILE 78 N 0.76 0.00 0.27 6.68 -0.00 0.45 -2.22 121.20 127.15 1bwm s ILE 78 Ca -0.03 -1.70 0.07 0.00 -0.00 0.00 0.00 60.65 58.99 1bwm s ILE 78 Cb -0.05 -2.46 -0.06 0.00 -0.00 0.00 0.00 42.46 39.89 1bwm s ILE 78 CO -0.06 0.00 -0.08 -0.76 -0.00 0.00 0.00 174.94 174.03 1bwm s LEU 79 N -3.17 2.52 -0.01 0.37 1.02 -0.95 -0.41 118.68 118.05 1bwm s LEU 79 Ca 0.32 -1.15 0.02 0.00 0.02 0.00 0.00 54.13 53.34 1bwm s LEU 79 Cb 0.02 -0.70 0.03 0.00 0.02 0.00 0.00 46.19 45.56 1bwm s LEU 79 CO 0.15 -0.28 0.80 -0.62 0.02 0.00 0.00 176.35 176.42 1bwm n GLU 80 N -0.56 1.15 -2.77 1.70 1.02 -1.26 -2.69 120.64 117.22 1bwm n GLU 80 Ca -0.06 -1.10 -0.07 0.00 -0.02 0.00 0.00 57.16 55.91 1bwm n GLU 80 Cb 0.63 -0.77 0.03 0.00 -0.02 0.00 0.00 31.44 31.31 1bwm n GLU 80 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1bwm n LEU 81 N -0.31 -3.00 -4.83 -4.62 7.94 -1.26 -4.69 117.00 106.22 1bwm n LEU 81 Ca 0.02 -3.22 -0.34 0.00 -1.11 0.00 0.00 56.01 51.36 1bwm n LEU 81 Cb 0.45 0.80 -0.06 0.00 0.53 0.00 0.00 43.42 45.14 1bwm n LEU 81 CO 0.00 1.98 0.42 0.00 -1.11 0.00 0.00 177.39 178.68 1bwm s ALA 82 N 0.70 3.36 0.34 1.96 0.00 -1.26 -4.80 121.76 122.05 1bwm s ALA 82 Ca 0.31 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.45 1bwm s ALA 82 Cb 0.14 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.40 1bwm s ALA 82 CO -0.17 0.33 -0.04 0.95 0.00 0.00 0.00 175.76 176.82 1bwm s THR 83 N -1.79 1.87 -0.09 0.00 -4.23 -1.26 -1.20 115.64 108.95 1bwm s THR 83 Ca 0.49 -2.11 -0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1bwm s THR 83 Cb -0.13 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 1bwm s THR 83 CO 0.19 -0.16 1.53 -0.81 -0.54 0.00 0.00 174.62 174.83 1bwm n PRO 84 N -0.75 0.74 0.00 3.99 -0.05 -1.26 -2.36 135.00 135.31 1bwm n PRO 84 Ca -0.05 -0.44 0.00 0.00 -0.05 0.00 0.00 63.50 62.96 1bwm n PRO 84 Cb 0.65 -1.76 0.00 0.00 -0.05 0.00 0.00 33.50 32.34 1bwm n PRO 84 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1bwm n SER 85 N 3.12 0.00 0.00 3.54 7.64 -1.26 -5.02 113.62 121.64 1bwm n SER 85 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1bwm n SER 85 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n GLN 86 N 0.00 0.00 0.00 1.43 6.02 -0.99 -5.05 117.38 118.79 1bwm n GLN 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1bwm n GLN 86 Cb 0.00 -0.48 0.00 0.00 1.02 0.00 0.00 30.24 30.78 1bwm n GLN 86 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1bwm n THR 87 N -1.13 0.00 -3.70 5.09 5.66 -1.26 -4.92 114.28 114.02 1bwm n THR 87 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bwm n THR 87 Cb 0.00 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 1bwm n THR 87 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1bwm n SER 88 N 0.00 0.00 -4.51 1.09 2.88 -1.08 -4.71 113.62 107.29 1bwm n SER 88 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1bwm n SER 88 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1bwm n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1bwm s VAL 89 N 0.00 3.72 -0.25 2.46 1.01 -1.26 -1.70 120.40 124.37 1bwm s VAL 89 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1bwm s VAL 89 Cb 0.00 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1bwm s VAL 89 CO 0.00 0.53 -0.00 -0.31 0.00 0.00 0.00 175.10 175.32 1bwm s TYR 90 N -0.00 3.05 0.33 5.22 1.51 0.88 -2.14 117.35 126.20 1bwm s TYR 90 Ca -0.00 -1.10 0.04 0.00 -1.01 0.00 0.00 57.07 55.00 1bwm s TYR 90 Cb -0.13 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1bwm s TYR 90 CO 0.03 -0.60 0.18 -0.59 -1.11 0.00 0.00 175.55 173.46 1bwm s PHE 91 N 1.45 1.66 -0.13 2.71 -0.71 -1.08 -2.59 117.98 119.28 1bwm s PHE 91 Ca 0.03 -1.41 -0.08 0.00 -1.04 0.00 0.00 56.93 54.43 1bwm s PHE 91 Cb -0.16 -0.88 0.05 0.00 -1.21 0.00 0.00 43.02 40.82 1bwm s PHE 91 CO -0.01 -0.55 0.32 0.00 -1.34 0.00 0.00 175.22 173.64 1bwm s ALA 93 N 1.05 1.99 0.01 0.00 0.00 -1.01 -3.69 121.76 120.10 1bwm s ALA 93 Ca -0.07 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1bwm s ALA 93 Cb -0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1bwm s ALA 93 CO -0.08 0.45 -0.14 0.45 0.00 0.00 0.00 175.76 176.44 1bwm s SER 94 N -1.43 1.68 0.24 0.00 0.15 -1.26 -0.99 113.70 112.08 1bwm s SER 94 Ca 0.09 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.40 1bwm s SER 94 Cb -0.09 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1bwm s SER 94 CO 0.03 0.12 0.21 -0.83 1.20 0.00 0.00 173.24 173.96 1bwm s GLY 95 N -0.67 1.58 0.00 9.45 0.00 -1.18 -2.61 107.32 113.90 1bwm s GLY 95 Ca 0.04 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1bwm s GLY 95 CO 0.00 -1.34 0.00 0.61 0.00 0.00 0.00 173.10 172.37 1bwm n GLY 96 N -0.37 -1.69 3.75 0.20 0.00 -1.26 -4.30 105.19 101.52 1bwm n GLY 96 Ca 0.03 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1bwm n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwm s GLN 97 N -2.64 4.07 0.00 1.61 -0.21 -1.26 -4.77 119.66 116.46 1bwm s GLN 97 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.18 1bwm s GLN 97 Cb 0.00 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.63 1bwm s GLN 97 CO 0.00 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.96 1bwm n GLY 98 N 3.26 0.34 3.23 3.09 0.00 -1.26 -4.87 105.19 108.98 1bwm n GLY 98 Ca -0.17 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1bwm n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bwm s ARG 99 N 0.00 2.91 -0.07 1.61 0.52 -1.26 -5.03 118.95 117.63 1bwm s ARG 99 Ca 0.00 -2.16 -0.10 0.00 -0.52 0.00 0.00 55.73 52.95 1bwm s ARG 99 Cb 0.00 -4.08 0.02 0.00 0.52 0.00 0.00 34.95 31.41 1bwm s ARG 99 CO 0.00 -1.24 0.25 0.00 0.02 0.00 0.00 175.30 174.33 1bwm s ALA 104 N 0.67 -0.61 0.87 2.13 0.00 -1.26 -5.04 121.76 118.50 1bwm s ALA 104 Ca 0.12 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 1bwm s ALA 104 Cb -0.20 -0.27 0.11 0.00 0.00 0.00 0.00 23.12 22.76 1bwm s ALA 104 CO -0.04 -0.16 1.12 -1.83 0.00 0.00 0.00 175.76 174.86 1bwm s GLU 105 N -0.31 1.52 0.17 0.00 -1.05 -1.26 -4.80 118.70 112.98 1bwm s GLU 105 Ca -0.04 0.43 -0.06 0.00 -0.15 0.00 0.00 54.97 55.15 1bwm s GLU 105 Cb -0.03 -1.87 -0.06 0.00 -0.44 0.00 0.00 34.13 31.73 1bwm s GLU 105 CO 0.01 -1.96 0.42 -0.65 0.95 0.00 0.00 175.26 174.03 1bwm s GLN 106 N -5.23 3.65 -0.51 -4.83 1.11 -1.26 -4.50 119.66 108.10 1bwm s GLN 106 Ca 0.63 -0.02 0.07 0.00 0.01 0.00 0.00 55.36 56.05 1bwm s GLN 106 Cb -0.15 -2.80 0.35 0.00 -1.01 0.00 0.00 33.01 29.41 1bwm s GLN 106 CO 0.54 0.42 0.91 1.19 0.01 0.00 0.00 175.29 178.36 1bwm n PHE 107 N -0.03 2.95 -1.19 0.91 3.01 -1.07 -4.68 117.46 117.36 1bwm n PHE 107 Ca -0.02 -3.83 -0.32 0.00 1.01 0.00 0.00 57.45 54.29 1bwm n PHE 107 Cb 0.52 -0.43 0.11 0.00 -0.01 0.00 0.00 39.48 39.67 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1bwm s PHE 108 N -3.22 2.16 0.00 1.38 -0.12 -1.26 -4.44 117.98 112.49 1bwm s PHE 108 Ca 0.46 1.64 0.00 0.00 -0.05 0.00 0.00 56.93 58.98 1bwm s PHE 108 Cb 0.31 -3.25 0.00 0.00 -0.63 0.00 0.00 43.02 39.45 1bwm s PHE 108 CO -0.12 -2.28 0.00 0.41 -0.05 0.00 0.00 175.22 173.18 1bwm n GLY 109 N -0.31 1.39 0.00 1.99 0.00 -1.24 -4.97 105.19 102.05 1bwm n GLY 109 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1bwm n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bwm n PRO 110 N 0.00 1.57 -3.64 1.61 -0.01 -1.26 -4.93 135.00 128.34 1bwm n PRO 110 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 63.50 63.46 1bwm n PRO 110 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 33.50 33.42 1bwm n PRO 110 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1bwm s GLY 111 N -0.46 -0.01 -0.25 -1.23 0.00 -1.26 -4.71 107.32 99.41 1bwm s GLY 111 Ca 0.00 3.09 -0.21 0.00 0.00 0.00 0.00 44.72 47.60 1bwm s GLY 111 CO 0.00 2.47 0.67 -1.59 0.00 0.00 0.00 173.10 174.65 1bwm s THR 112 N 1.14 4.96 -0.25 0.90 2.01 -1.07 -4.87 115.64 118.46 1bwm s THR 112 Ca -0.07 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.18 1bwm s THR 112 Cb -0.04 -3.97 0.06 0.00 0.01 0.00 0.00 72.50 68.56 1bwm s THR 112 CO -0.14 0.01 -0.09 0.00 -0.69 0.00 0.00 174.62 173.72 1bwm s ARG 113 N 2.52 2.00 0.33 4.92 1.70 -1.26 -0.08 118.95 129.07 1bwm s ARG 113 Ca 0.28 -1.18 0.03 0.00 -0.47 0.00 0.00 55.73 54.40 1bwm s ARG 113 Cb -0.15 -2.74 -0.05 0.00 -0.57 0.00 0.00 34.95 31.43 1bwm s ARG 113 CO 0.08 -0.57 0.08 -0.48 -1.08 0.00 0.00 175.30 173.34 1bwm s LEU 114 N 1.23 2.01 0.10 -1.89 0.05 -0.69 -4.86 118.68 114.64 1bwm s LEU 114 Ca -0.07 -1.44 0.08 0.00 0.05 0.00 0.00 54.13 52.75 1bwm s LEU 114 Cb -0.19 -0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 43.69 1bwm s LEU 114 CO -0.06 -0.71 -0.20 -0.89 -0.55 0.00 0.00 176.35 173.94 1bwm s THR 115 N -3.39 1.68 -0.21 5.48 2.01 -1.26 -2.62 115.64 117.32 1bwm s THR 115 Ca 0.34 -1.55 0.02 0.00 0.31 0.00 0.00 61.69 60.81 1bwm s THR 115 Cb 0.07 -1.54 0.04 0.00 0.01 0.00 0.00 72.50 71.08 1bwm s THR 115 CO 0.15 -0.09 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.16 1bwm s VAL 116 N -1.22 2.00 0.97 3.82 1.01 -1.25 -1.40 120.40 124.33 1bwm s VAL 116 Ca 0.06 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1bwm s VAL 116 Cb -0.10 -1.98 0.17 0.00 0.00 0.00 0.00 36.38 34.48 1bwm s VAL 116 CO 0.04 0.24 1.09 -0.76 0.00 0.00 0.00 175.10 175.71 1bwm s LEU 116 N 1.25 2.00 0.00 3.92 2.01 -1.10 -3.98 118.68 122.78 1bwm s LEU 116 Ca -0.02 1.65 0.00 0.00 0.01 0.00 0.00 54.13 55.77 1bwm s LEU 116 Cb -0.16 -3.92 0.00 0.00 0.01 0.00 0.00 46.19 42.11 1bwm s LEU 116 CO -0.09 -3.17 0.00 0.61 1.01 0.00 0.00 176.35 174.71 1bwm n GLY 201 N -0.32 -0.28 3.84 -3.19 0.00 -1.26 0.70 105.19 104.67 1bwm n GLY 201 Ca 0.07 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 1bwm n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 202 N -2.24 -0.04 -0.23 1.61 0.01 -1.26 -4.88 113.70 106.66 1bwm s SER 202 Ca 0.00 -0.73 -0.29 0.00 1.31 0.00 0.00 55.95 56.25 1bwm s SER 202 Cb 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 1bwm s SER 202 CO 0.00 -1.15 1.92 1.51 0.41 0.00 0.00 173.24 175.93 1bwm s ASP 203 N -3.21 5.90 -0.51 2.44 -4.77 -1.26 -4.92 116.67 110.33 1bwm s ASP 203 Ca 0.18 1.71 -0.29 0.00 -3.30 0.00 0.00 52.55 50.85 1bwm s ASP 203 Cb -0.03 -2.52 0.03 0.00 -1.09 0.00 0.00 42.92 39.31 1bwm s ASP 203 CO 0.06 -1.64 1.15 -0.47 0.70 0.00 0.00 175.17 174.97 1bwm s TYR 204 N 6.79 2.76 0.08 2.11 5.04 -1.26 -4.98 117.35 127.89 1bwm s TYR 204 Ca 0.86 0.61 -0.15 0.00 -2.44 0.00 0.00 57.07 55.95 1bwm s TYR 204 Cb -0.29 -4.45 0.03 0.00 0.35 0.00 0.00 41.96 37.60 1bwm s TYR 204 CO 0.34 -1.36 0.35 0.21 -1.34 0.00 0.00 175.55 173.75 1bwm s LYS 205 N 4.58 0.95 -0.25 4.97 2.20 -1.26 -5.10 119.74 125.82 1bwm s LYS 205 Ca 0.46 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 1bwm s LYS 205 Cb -0.07 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1bwm s LYS 205 CO 0.30 -0.34 1.85 0.34 -0.36 0.00 0.00 175.35 177.13 1bwm s ASP 206 N -2.47 5.98 -0.87 1.43 2.15 -1.26 -4.87 116.67 116.76 1bwm s ASP 206 Ca -0.00 1.62 -0.25 0.00 0.43 0.00 0.00 52.55 54.34 1bwm s ASP 206 Cb 0.01 -2.52 -0.11 0.00 -0.30 0.00 0.00 42.92 39.99 1bwm s ASP 206 CO -0.08 -1.58 2.21 -1.81 -0.17 0.00 0.00 175.17 173.74 1bwm s ASP 207 N 5.89 4.31 0.13 -0.34 1.11 -1.26 -4.82 116.67 121.68 1bwm s ASP 207 Ca 0.82 -0.36 -0.25 0.00 0.18 0.00 0.00 52.55 52.94 1bwm s ASP 207 Cb -0.27 -2.56 0.07 0.00 1.07 0.00 0.00 42.92 41.23 1bwm s ASP 207 CO 0.33 -3.55 0.82 -0.62 1.18 0.00 0.00 175.17 173.33 1bwm s ASP 208 N 9.54 -0.33 -0.45 0.27 2.15 -1.26 -5.11 116.67 121.47 1bwm s ASP 208 Ca 0.83 -0.23 0.05 0.00 0.43 0.00 0.00 52.55 53.63 1bwm s ASP 208 Cb -0.10 0.52 0.27 0.00 -0.30 0.00 0.00 42.92 43.31 1bwm s ASP 208 CO 0.06 -0.90 1.03 -0.90 -0.17 0.00 0.00 175.17 174.29 1bwm n ASP 209 N -0.38 -2.45 -4.93 -0.34 5.75 -1.26 -5.15 116.55 107.78 1bwm n ASP 209 Ca -0.09 -3.15 -0.19 0.00 -0.01 0.00 0.00 54.79 51.35 1bwm n ASP 209 Cb 0.62 1.69 -0.01 0.00 -1.03 0.00 0.00 41.12 42.38 1bwm n ASP 209 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1bwm s LYS 210 N 0.47 2.70 -1.18 0.11 1.02 -1.26 -5.03 119.74 116.56 1bwm s LYS 210 Ca 0.28 -1.37 -0.13 0.00 0.02 0.00 0.00 55.97 54.77 1bwm s LYS 210 Cb 0.25 -2.56 0.19 0.00 -0.52 0.00 0.00 37.83 35.19 1bwm s LYS 210 CO -0.17 -0.18 1.37 0.50 -0.92 0.00 0.00 175.35 175.95 1bwm s ARG 211 N -4.21 4.10 0.17 1.68 6.06 -1.26 -4.94 118.95 120.56 1bwm s ARG 211 Ca 0.50 -2.68 -0.23 0.00 -2.50 0.00 0.00 55.73 50.82 1bwm s ARG 211 Cb -0.06 -4.97 0.06 0.00 0.06 0.00 0.00 34.95 30.04 1bwm s ARG 211 CO 0.30 -1.67 0.66 0.45 -2.50 0.00 0.00 175.30 172.53 1bwm s SER 212 N 2.57 -0.48 0.21 -2.12 0.15 -1.26 -5.14 113.70 107.63 1bwm s SER 212 Ca 0.40 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1bwm s SER 212 Cb -0.04 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1bwm s SER 212 CO -0.02 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1bwm n GLY 213 N -0.39 -1.88 3.72 9.45 0.00 -1.26 -4.98 105.19 109.86 1bwm n GLY 213 Ca -0.13 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1bwm n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 214 N -5.33 2.82 -0.20 -0.02 0.00 -1.26 -5.15 107.32 98.18 1bwm s GLY 214 Ca 0.00 -1.05 -0.36 0.00 0.00 0.00 0.00 44.72 43.32 1bwm s GLY 214 CO 0.00 -2.15 1.31 -0.32 0.00 0.00 0.00 173.10 171.94 1bwm s GLY 215 N -3.84 -0.29 0.00 0.20 0.00 -1.26 -5.16 107.32 96.96 1bwm s GLY 215 Ca 0.17 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.43 1bwm s GLY 215 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.29 1bwm n GLY 216 N -0.15 0.93 2.48 0.20 0.00 -1.26 -5.07 105.19 102.32 1bwm n GLY 216 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1bwm n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 217 N 0.00 -0.26 0.00 1.61 3.41 -1.26 -5.06 113.62 112.07 1bwm n SER 217 Ca 0.00 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1bwm n SER 217 Cb 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1bwm n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 218 N 0.15 1.84 0.00 5.00 0.00 -1.26 -4.73 105.19 106.19 1bwm n GLY 218 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bwm n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 219 N 0.00 2.98 2.69 -0.02 0.00 -1.26 -4.94 105.19 104.63 1bwm n GLY 219 Ca 0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1bwm n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 220 N 0.00 5.43 0.00 -0.02 0.00 -1.26 -4.91 105.19 104.42 1bwm n GLY 220 Ca 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.39 1bwm n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 221 N -0.30 -0.62 3.01 -0.02 0.00 -1.26 -5.01 105.19 100.98 1bwm n GLY 221 Ca 0.33 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.60 1bwm n GLY 221 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 222 N 0.00 -4.22 -1.66 1.61 2.88 -1.26 -4.01 113.62 106.96 1bwm n SER 222 Ca 0.00 -0.19 -0.01 0.00 -1.33 0.00 0.00 58.87 57.34 1bwm n SER 222 Cb 0.00 -3.50 -0.01 0.00 -0.75 0.00 0.00 64.21 59.95 1bwm n SER 222 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 223 N -1.12 -3.83 0.00 0.46 0.00 -1.26 -5.08 105.19 94.36 1bwm n GLY 223 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bwm n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 224 N 0.62 3.69 2.89 -0.02 0.00 -1.26 -5.12 105.19 106.00 1bwm n GLY 224 Ca -0.07 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1bwm n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 225 N 0.00 2.97 0.00 1.61 0.01 -1.26 -4.73 113.70 112.30 1bwm s SER 225 Ca 0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1bwm s SER 225 Cb 0.00 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1bwm s SER 225 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1bwm n GLY 226 N 4.85 0.99 2.53 3.44 0.00 -1.26 -5.17 105.19 110.58 1bwm n GLY 226 Ca -0.12 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 1bwm n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm n ALA 227 N -1.00 0.67 -3.26 4.61 0.00 -1.26 -5.18 120.51 115.08 1bwm n ALA 227 Ca 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 53.44 51.16 1bwm n ALA 227 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 1bwm n ALA 227 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bwm s GLN 301 N 0.26 0.46 -0.08 0.00 -1.52 -1.26 -5.16 119.66 112.36 1bwm s GLN 301 Ca 0.32 0.21 -0.12 0.00 -1.95 0.00 0.00 55.36 53.83 1bwm s GLN 301 Cb 0.06 -0.16 -0.04 0.00 -0.22 0.00 0.00 33.01 32.65 1bwm s GLN 301 CO -0.14 -1.05 -0.23 1.04 -0.25 0.00 0.00 175.29 174.66 1bwm n GLN 302 N 5.34 0.35 -1.75 2.91 6.02 -1.26 -4.88 117.38 124.10 1bwm n GLN 302 Ca 0.02 0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.73 1bwm n GLN 302 Cb 0.51 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.63 1bwm n GLN 302 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1bwm s VAL 303 N -2.59 2.76 -0.40 5.09 1.01 -1.26 -3.39 120.40 121.63 1bwm s VAL 303 Ca -0.19 0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1bwm s VAL 303 Cb 0.03 -3.09 0.12 0.00 0.00 0.00 0.00 36.38 33.43 1bwm s VAL 303 CO 0.28 -0.00 0.15 -0.60 0.00 0.00 0.00 175.10 174.93 1bwm s ARG 304 N 3.17 1.36 0.06 2.72 6.06 -1.09 -4.16 118.95 127.07 1bwm s ARG 304 Ca 0.81 -1.88 -0.21 0.00 -2.50 0.00 0.00 55.73 51.95 1bwm s ARG 304 Cb -0.44 -2.72 -0.06 0.00 0.06 0.00 0.00 34.95 31.78 1bwm s ARG 304 CO 0.37 -1.04 0.62 -1.14 -2.50 0.00 0.00 175.30 171.60 1bwm s GLN 305 N 0.67 4.31 -0.51 5.12 2.00 -1.25 -1.22 119.66 128.78 1bwm s GLN 305 Ca 0.14 0.82 -0.35 0.00 -2.00 0.00 0.00 55.36 53.97 1bwm s GLN 305 Cb -0.22 -3.28 -0.14 0.00 0.80 0.00 0.00 33.01 30.17 1bwm s GLN 305 CO -0.08 0.52 2.30 -1.13 -0.50 0.00 0.00 175.29 176.40 1bwm n SER 306 N 2.08 1.58 -3.75 6.67 3.41 -0.53 -4.90 113.62 118.17 1bwm n SER 306 Ca -0.08 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1bwm n SER 306 Cb 0.50 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1bwm n SER 306 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1bwm n PRO 307 N 8.23 0.79 -2.88 4.33 -0.05 -1.26 -4.70 135.00 139.45 1bwm n PRO 307 Ca 0.48 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.92 1bwm n PRO 307 Cb 0.18 0.00 -0.00 0.00 -0.05 0.00 0.00 33.50 33.63 1bwm n PRO 307 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 1bwm n GLN 308 N -0.15 -2.44 -1.16 0.54 -0.06 -1.26 -4.97 117.38 107.88 1bwm n GLN 308 Ca 0.00 2.13 -0.28 0.00 -2.00 0.00 0.00 57.00 56.85 1bwm n GLN 308 Cb 0.00 -3.83 0.22 0.00 -4.06 0.00 0.00 30.24 22.57 1bwm n GLN 308 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1bwm n SER 309 N 0.98 -1.48 -3.71 1.69 7.64 -1.26 -4.95 113.62 112.52 1bwm n SER 309 Ca -0.02 -1.20 -0.02 0.00 1.01 0.00 0.00 58.87 58.64 1bwm n SER 309 Cb 0.19 -0.93 -0.01 0.00 -1.01 0.00 0.00 64.21 62.45 1bwm n SER 309 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1bwm s LEU 310 N 0.00 -0.14 0.53 -3.43 0.05 -1.15 -5.02 118.68 109.52 1bwm s LEU 310 Ca 0.67 -0.34 0.09 0.00 0.05 0.00 0.00 54.13 54.59 1bwm s LEU 310 Cb -0.05 1.96 0.07 0.00 -2.05 0.00 0.00 46.19 46.11 1bwm s LEU 310 CO 0.50 -0.75 0.73 -0.89 -0.55 0.00 0.00 176.35 175.39 1bwm s THR 311 N -3.04 2.40 0.38 5.48 2.01 -1.26 -2.61 115.64 119.00 1bwm s THR 311 Ca 0.13 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.22 1bwm s THR 311 Cb 0.00 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1bwm s THR 311 CO 0.01 0.00 0.17 -0.69 -0.69 0.00 0.00 174.62 173.42 1bwm s VAL 312 N -2.59 2.65 -1.06 3.82 1.01 0.12 -4.82 120.40 119.54 1bwm s VAL 312 Ca 0.60 -1.68 0.10 0.00 0.00 0.00 0.00 61.98 61.00 1bwm s VAL 312 Cb -0.07 -2.97 0.46 0.00 0.00 0.00 0.00 36.38 33.80 1bwm s VAL 312 CO 0.37 -0.09 1.28 0.79 0.00 0.00 0.00 175.10 177.46 1bwm n TRP 313 N -1.21 1.03 -2.82 5.22 7.02 -1.26 -4.01 117.44 121.42 1bwm n TRP 313 Ca -0.02 -0.39 -0.01 0.00 -1.02 0.00 0.00 57.50 56.06 1bwm n TRP 313 Cb 0.63 -0.23 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1bwm n TRP 313 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1bwm n GLU 314 N 0.53 -2.91 0.00 -0.99 -0.58 -1.26 -4.31 120.64 111.12 1bwm n GLU 314 Ca 0.16 2.42 0.00 0.00 -0.42 0.00 0.00 57.16 59.32 1bwm n GLU 314 Cb 0.67 -4.71 0.00 0.00 -0.57 0.00 0.00 31.44 26.83 1bwm n GLU 314 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bwm n GLY 315 N 0.69 2.41 0.00 0.62 0.00 -1.19 -5.04 105.19 102.68 1bwm n GLY 315 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bwm n GLY 315 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bwm n GLU 316 N -0.62 -0.18 -4.16 1.61 2.13 -1.26 -4.22 120.64 113.94 1bwm n GLU 316 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1bwm n GLU 316 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1bwm n GLU 316 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1bwm s THR 317 N -0.71 1.77 0.01 6.31 -1.32 -1.26 -4.07 115.64 116.38 1bwm s THR 317 Ca 0.00 -1.67 -0.06 0.00 -1.21 0.00 0.00 61.69 58.75 1bwm s THR 317 Cb 0.00 -2.45 -0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1bwm s THR 317 CO 0.00 0.00 0.10 -0.89 -2.21 0.00 0.00 174.62 171.62 1bwm s THR 318 N -2.73 0.09 -0.22 5.08 2.01 -0.89 -4.91 115.64 114.08 1bwm s THR 318 Ca 0.30 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1bwm s THR 318 Cb 0.01 -0.40 0.07 0.00 0.01 0.00 0.00 72.50 72.18 1bwm s THR 318 CO 0.18 -0.41 0.05 -0.63 -0.69 0.00 0.00 174.62 173.11 1bwm s ILE 319 N -1.44 0.52 0.52 1.82 1.01 -1.26 -2.05 121.20 120.32 1bwm s ILE 319 Ca -0.15 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1bwm s ILE 319 Cb -0.08 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1bwm s ILE 319 CO 0.01 -0.31 0.78 -0.76 0.00 0.00 0.00 174.94 174.66 1bwm s LEU 320 N 1.85 3.42 -0.00 2.97 1.43 -1.04 -4.89 118.68 122.42 1bwm s LEU 320 Ca 0.01 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1bwm s LEU 320 Cb -0.17 -3.29 -0.00 0.00 0.03 0.00 0.00 46.19 42.75 1bwm s LEU 320 CO -0.12 -0.91 0.01 0.21 0.23 0.00 0.00 176.35 175.76 1bwm s ASN 321 N -4.28 0.01 0.04 2.29 3.84 -1.26 -2.42 114.94 113.16 1bwm s ASN 321 Ca 0.52 -0.02 -0.01 0.00 0.21 0.00 0.00 52.86 53.56 1bwm s ASN 321 Cb -0.10 0.02 -0.03 0.00 -0.55 0.00 0.00 41.25 40.59 1bwm s ASN 321 CO 0.41 -0.02 -0.03 0.00 -2.79 0.00 0.00 177.10 174.67 1bwm n SER 323 N 0.66 1.02 -3.49 0.00 2.88 -0.36 -0.38 113.62 113.94 1bwm n SER 323 Ca -0.18 -3.26 -0.10 0.00 -1.33 0.00 0.00 58.87 54.00 1bwm n SER 323 Cb 0.59 1.15 -0.03 0.00 -0.75 0.00 0.00 64.21 65.17 1bwm n SER 323 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1bwm s TYR 324 N -3.17 -0.43 0.00 0.66 -0.85 -1.22 -2.68 117.35 109.66 1bwm s TYR 324 Ca 0.24 0.34 0.13 0.00 -0.52 0.00 0.00 57.07 57.26 1bwm s TYR 324 Cb 0.01 0.53 0.21 0.00 0.38 0.00 0.00 41.96 43.09 1bwm s TYR 324 CO 0.17 -0.62 1.07 -1.91 -1.52 0.00 0.00 175.55 172.73 1bwm n GLU 325 N -0.13 0.00 -3.30 -3.49 2.13 -1.25 -4.89 120.64 109.71 1bwm n GLU 325 Ca -0.12 -1.46 -0.24 0.00 0.66 0.00 0.00 57.16 56.00 1bwm n GLU 325 Cb 0.62 -0.21 -0.01 0.00 0.27 0.00 0.00 31.44 32.12 1bwm n GLU 325 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1bwm s ASP 326 N -1.46 6.28 -0.19 4.31 -1.08 -1.26 -5.02 116.67 118.25 1bwm s ASP 326 Ca 0.17 0.49 0.12 0.00 -0.52 0.00 0.00 52.55 52.81 1bwm s ASP 326 Cb 0.19 -2.04 0.42 0.00 -1.46 0.00 0.00 42.92 40.04 1bwm s ASP 326 CO -0.08 -0.33 1.21 -0.24 0.52 0.00 0.00 175.17 176.25 1bwm n SER 327 N -1.84 1.81 -0.93 -0.34 2.88 -1.26 -4.70 113.62 109.23 1bwm n SER 327 Ca -0.04 -3.70 -0.04 0.00 -1.33 0.00 0.00 58.87 53.76 1bwm n SER 327 Cb 0.56 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1bwm n THR 328 N -0.94 0.00 -2.97 2.46 5.66 -1.26 -5.14 114.28 112.09 1bwm n THR 328 Ca 0.19 -0.06 -0.35 0.00 -3.05 0.00 0.00 64.05 60.77 1bwm n THR 328 Cb 0.75 0.34 -0.06 0.00 -1.55 0.00 0.00 70.33 69.81 1bwm n THR 328 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1bwm s PHE 329 N 0.01 3.58 -0.17 1.09 -0.12 -1.26 -4.54 117.98 116.57 1bwm s PHE 329 Ca 0.01 1.52 -0.16 0.00 -0.05 0.00 0.00 56.93 58.25 1bwm s PHE 329 Cb 0.03 -2.73 -0.12 0.00 -0.63 0.00 0.00 43.02 39.57 1bwm s PHE 329 CO -0.01 0.21 0.08 0.22 -0.05 0.00 0.00 175.22 175.67 1bwm h ASP 330 N 3.00 0.00 -5.44 1.98 3.58 0.38 -3.47 116.42 116.44 1bwm h ASP 330 Ca -0.48 -0.30 -0.24 0.00 0.42 0.00 0.00 57.03 56.43 1bwm h ASP 330 Cb 1.19 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 1bwm h ASP 330 CO 0.65 1.10 -0.11 -0.72 -2.88 0.00 0.00 179.24 177.28 1bwm s TYR 331 N -2.25 0.93 -0.43 0.28 1.13 -1.17 -4.57 117.35 111.26 1bwm s TYR 331 Ca -0.21 -1.23 0.04 0.00 -1.41 0.00 0.00 57.07 54.26 1bwm s TYR 331 Cb 0.03 0.07 0.12 0.00 -1.10 0.00 0.00 41.96 41.08 1bwm s TYR 331 CO 0.41 -1.23 0.17 -0.06 -2.51 0.00 0.00 175.55 172.33 1bwm s PHE 332 N -2.86 3.25 -0.62 -3.49 0.08 -1.25 -2.55 117.98 110.54 1bwm s PHE 332 Ca 0.28 -2.99 -0.26 0.00 0.12 0.00 0.00 56.93 54.09 1bwm s PHE 332 Cb -0.01 -2.74 -0.09 0.00 -0.57 0.00 0.00 43.02 39.60 1bwm s PHE 332 CO 0.19 -0.83 2.39 -1.25 -0.10 0.00 0.00 175.22 175.62 1bwm s PRO 333 N 0.32 1.91 -1.18 0.24 0.04 -1.22 -4.25 135.00 130.86 1bwm s PRO 333 Ca 0.14 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 1bwm s PRO 333 Cb -0.23 -4.67 -0.06 0.00 0.04 0.00 0.00 34.50 29.58 1bwm s PRO 333 CO -0.04 -3.74 1.90 0.91 0.04 0.00 0.00 177.00 176.07 1bwm n TRP 334 N 16.93 3.05 -0.93 0.56 7.02 -1.06 -3.86 117.44 139.15 1bwm n TRP 334 Ca 0.40 -1.78 -0.29 0.00 -1.02 0.00 0.00 57.50 54.81 1bwm n TRP 334 Cb 0.50 -2.55 0.23 0.00 -2.42 0.00 0.00 31.31 27.06 1bwm n TRP 334 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1bwm s TYR 335 N 9.13 1.11 -0.13 -5.99 2.02 -0.08 -2.65 117.35 120.75 1bwm s TYR 335 Ca 0.64 0.79 -0.03 0.00 -0.37 0.00 0.00 57.07 58.11 1bwm s TYR 335 Cb 0.02 -3.25 0.05 0.00 -0.40 0.00 0.00 41.96 38.37 1bwm s TYR 335 CO 0.12 -3.68 0.05 0.50 -1.57 0.00 0.00 175.55 170.98 1bwm s ARG 336 N -5.03 0.27 -0.28 -0.62 3.52 -0.65 -0.39 118.95 115.77 1bwm s ARG 336 Ca 0.68 -0.04 -0.11 0.00 -0.13 0.00 0.00 55.73 56.14 1bwm s ARG 336 Cb -0.16 -1.48 -0.05 0.00 -1.56 0.00 0.00 34.95 31.70 1bwm s ARG 336 CO 0.58 -0.53 0.18 -0.65 -0.81 0.00 0.00 175.30 174.07 1bwm s GLN 337 N 2.05 3.93 0.52 5.12 -0.21 -0.45 -2.64 119.66 127.97 1bwm s GLN 337 Ca 0.02 -0.33 -0.02 0.00 0.02 0.00 0.00 55.36 55.05 1bwm s GLN 337 Cb -0.15 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.24 1bwm s GLN 337 CO -0.07 -0.17 0.77 -0.06 -2.12 0.00 0.00 175.29 173.64 1bwm s PHE 338 N 1.72 3.21 0.51 0.91 0.40 -1.26 -1.73 117.98 121.74 1bwm s PHE 338 Ca 0.07 0.39 0.17 0.00 -0.60 0.00 0.00 56.93 56.96 1bwm s PHE 338 Cb -0.16 -2.52 1.28 0.00 0.51 0.00 0.00 43.02 42.13 1bwm s PHE 338 CO 0.10 -0.59 2.13 -1.35 0.70 0.00 0.00 175.22 176.21 1bwm h PRO 339 N 0.13 0.00 0.00 0.24 0.10 -1.92 -3.41 132.00 127.15 1bwm h PRO 339 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.64 1bwm h PRO 339 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1bwm h PRO 339 CO 0.58 0.04 0.00 0.41 0.10 0.00 0.00 178.00 179.13 1bwm n GLY 340 N -1.38 -1.66 0.36 -0.55 0.00 -1.26 -5.11 105.19 95.59 1bwm n GLY 340 Ca -0.03 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1bwm n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwm n LYS 341 N 0.00 0.00 -2.80 1.61 5.02 -1.26 -5.09 118.16 115.64 1bwm n LYS 341 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1bwm n LYS 341 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1bwm n LYS 341 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bwm s SER 342 N -0.17 -1.10 1.37 4.39 0.01 -1.26 -5.10 113.70 111.84 1bwm s SER 342 Ca 0.00 -1.16 -0.20 0.00 1.31 0.00 0.00 55.95 55.89 1bwm s SER 342 Cb 0.00 1.43 0.35 0.00 0.21 0.00 0.00 66.02 68.01 1bwm s SER 342 CO 0.00 -0.06 0.90 -2.65 0.41 0.00 0.00 173.24 171.84 1bwm n PRO 343 N 3.10 -4.02 0.00 12.44 -0.01 -1.26 -4.90 135.00 140.34 1bwm n PRO 343 Ca 0.15 -1.18 0.00 0.00 -0.01 0.00 0.00 63.50 62.46 1bwm n PRO 343 Cb 0.59 -1.99 0.00 0.00 -0.01 0.00 0.00 33.50 32.09 1bwm n PRO 343 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bwm n ALA 344 N -5.53 0.00 -1.79 3.55 0.00 -1.08 -4.96 120.51 110.69 1bwm n ALA 344 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 1bwm n ALA 344 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1bwm n ALA 344 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bwm s LEU 345 N 0.00 4.20 0.00 0.00 2.96 -1.26 -1.64 118.68 122.93 1bwm s LEU 345 Ca 0.00 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 1bwm s LEU 345 Cb 0.00 -4.16 0.00 0.00 0.50 0.00 0.00 46.19 42.53 1bwm s LEU 345 CO 0.00 -0.28 0.00 0.18 -1.32 0.00 0.00 176.35 174.93 1bwm n LEU 346 N 0.13 0.03 0.00 -0.68 4.77 -1.08 -4.89 117.00 115.27 1bwm n LEU 346 Ca 0.04 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1bwm n LEU 346 Cb 0.50 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1bwm n LEU 346 CO 0.43 -0.41 0.00 2.30 -1.33 0.00 0.00 177.39 178.38 1bwm n ILE 347 N -2.29 0.00 -3.52 -0.08 -0.00 -1.26 -5.02 119.36 107.20 1bwm n ILE 347 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 1bwm n ILE 347 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 1bwm n ILE 347 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bwm s ALA 348 N -1.42 -1.83 0.00 -1.28 0.00 -1.26 -2.55 121.76 113.42 1bwm s ALA 348 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1bwm s ALA 348 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1bwm s ALA 348 CO 0.00 -0.60 0.00 0.44 0.00 0.00 0.00 175.76 175.60 1bwm n ILE 349 N 0.01 0.00 -1.24 0.00 -0.00 -1.26 -4.94 119.36 111.93 1bwm n ILE 349 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1bwm n ILE 349 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.25 1bwm n ILE 349 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1bwm n SER 350 N 0.00 0.00 -3.53 7.28 2.88 -1.26 -3.89 113.62 115.10 1bwm n SER 350 Ca 0.00 -0.56 -0.21 0.00 -1.33 0.00 0.00 58.87 56.77 1bwm n SER 350 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1bwm n SER 350 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1bwm n LEU 351 N 0.00 -3.93 -0.17 2.46 7.94 -1.26 -4.91 117.00 117.13 1bwm n LEU 351 Ca 0.00 -0.81 0.03 0.00 -1.11 0.00 0.00 56.01 54.13 1bwm n LEU 351 Cb 0.14 -2.83 0.04 0.00 0.53 0.00 0.00 43.42 41.30 1bwm n LEU 351 CO 0.00 0.33 0.40 0.55 -1.11 0.00 0.00 177.39 177.56 1bwm n VAL 352 N -3.92 0.79 -3.94 1.96 3.14 -1.26 -5.06 118.33 110.05 1bwm n VAL 352 Ca -0.18 -0.91 -0.10 0.00 -2.96 0.00 0.00 64.34 60.19 1bwm n VAL 352 Cb 0.64 0.37 -0.11 0.00 -1.06 0.00 0.00 33.84 33.68 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1bwm s SER 353 N -1.39 0.16 0.59 6.55 1.04 -1.26 -5.02 113.70 114.37 1bwm s SER 353 Ca 0.10 -0.38 0.29 0.00 0.48 0.00 0.00 55.95 56.43 1bwm s SER 353 Cb 0.09 0.14 1.55 0.00 0.10 0.00 0.00 66.02 67.90 1bwm s SER 353 CO 0.01 -0.32 1.99 0.78 0.98 0.00 0.00 173.24 176.68 1bwm h ASN 354 N 4.53 0.00 -4.75 7.02 4.21 -1.97 -3.41 115.58 121.21 1bwm h ASN 354 Ca -0.31 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.13 1bwm h ASN 354 Cb 1.20 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 38.21 1bwm h ASN 354 CO 0.41 0.00 0.13 -1.59 -1.29 0.00 0.00 177.43 175.09 1bwm s LYS 355 N -4.63 0.97 0.02 0.81 -2.85 -1.26 -2.63 119.74 110.17 1bwm s LYS 355 Ca -0.04 0.39 -0.03 0.00 -1.00 0.00 0.00 55.97 55.29 1bwm s LYS 355 Cb 0.15 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.37 1bwm s LYS 355 CO 0.55 -0.26 0.03 0.21 0.10 0.00 0.00 175.35 175.98 1bwm s LYS 356 N -0.82 0.41 -0.02 1.78 2.36 -1.04 -4.93 119.74 117.48 1bwm s LYS 356 Ca -0.09 -0.63 0.03 0.00 -2.55 0.00 0.00 55.97 52.73 1bwm s LYS 356 Cb -0.02 0.16 -0.00 0.00 -1.05 0.00 0.00 37.83 36.92 1bwm s LYS 356 CO 0.07 -0.08 -0.10 -2.00 1.55 0.00 0.00 175.35 174.79 1bwm s GLU 357 N -1.80 0.91 -0.54 4.03 2.12 -1.26 0.18 118.70 122.33 1bwm s GLU 357 Ca -0.12 -0.35 0.06 0.00 0.36 0.00 0.00 54.97 54.92 1bwm s GLU 357 Cb -0.07 -0.86 0.21 0.00 0.26 0.00 0.00 34.13 33.67 1bwm s GLU 357 CO -0.02 0.18 0.54 -0.25 -0.54 0.00 0.00 175.26 175.18 1bwm n ASP 358 N 3.02 1.74 0.00 -1.70 9.92 -1.09 -4.92 116.55 123.52 1bwm n ASP 358 Ca -0.16 -2.97 0.00 0.00 -0.53 0.00 0.00 54.79 51.14 1bwm n ASP 358 Cb 0.55 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bwm n GLY 359 N 1.67 2.30 2.07 0.44 0.00 -1.26 -4.62 105.19 105.79 1bwm n GLY 359 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1bwm n GLY 359 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bwm n ARG 361 N 0.00 0.00 -1.45 1.61 0.63 -1.26 -5.11 116.66 111.08 1bwm n ARG 361 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 1bwm n ARG 361 Cb 0.00 0.00 0.08 0.00 0.45 0.00 0.00 32.46 32.99 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 1bwm s PHE 362 N -2.00 2.32 0.18 -0.14 -0.12 -1.26 -5.01 117.98 111.95 1bwm s PHE 362 Ca 0.00 1.60 0.05 0.00 -0.05 0.00 0.00 56.93 58.52 1bwm s PHE 362 Cb 0.00 -3.26 -0.05 0.00 -0.63 0.00 0.00 43.02 39.08 1bwm s PHE 362 CO 0.00 -2.13 -0.08 -0.08 -0.05 0.00 0.00 175.22 172.88 1bwm s THR 363 N -2.36 1.24 0.23 -4.49 -1.32 -1.21 -2.67 115.64 105.05 1bwm s THR 363 Ca 0.68 -2.08 0.08 0.00 -1.21 0.00 0.00 61.69 59.17 1bwm s THR 363 Cb -0.23 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1bwm s THR 363 CO 0.47 -0.61 0.03 0.27 -2.21 0.00 0.00 174.62 172.57 1bwm s ILE 364 N -3.29 3.71 0.06 5.08 -0.00 0.13 -0.83 121.20 126.06 1bwm s ILE 364 Ca 0.21 -1.66 0.07 0.00 -0.00 0.00 0.00 60.65 59.27 1bwm s ILE 364 Cb 0.03 -2.95 -0.03 0.00 -0.00 0.00 0.00 42.46 39.51 1bwm s ILE 364 CO 0.04 -0.28 -0.20 0.12 -0.00 0.00 0.00 174.94 174.62 1bwm s PHE 365 N -2.08 1.71 -0.22 1.37 2.19 0.29 -2.51 117.98 118.73 1bwm s PHE 365 Ca 0.30 -0.39 -0.25 0.00 0.33 0.00 0.00 56.93 56.92 1bwm s PHE 365 Cb -0.08 -0.99 -0.01 0.00 -1.31 0.00 0.00 43.02 40.64 1bwm s PHE 365 CO 0.20 0.12 0.85 0.12 1.83 0.00 0.00 175.22 178.34 1bwm s PHE 366 N -0.95 3.34 -0.43 10.12 2.19 -1.08 -2.66 117.98 128.51 1bwm s PHE 366 Ca 0.06 1.20 -0.11 0.00 0.33 0.00 0.00 56.93 58.41 1bwm s PHE 366 Cb -0.09 -3.06 0.08 0.00 -1.31 0.00 0.00 43.02 38.64 1bwm s PHE 366 CO 0.03 -0.36 0.29 1.21 1.83 0.00 0.00 175.22 178.21 1bwm s ASN 367 N 1.28 5.76 0.09 6.13 3.84 -0.08 -4.91 114.94 127.05 1bwm s ASN 367 Ca 0.37 -1.46 0.11 0.00 0.21 0.00 0.00 52.86 52.08 1bwm s ASN 367 Cb -0.16 -2.03 -0.16 0.00 -0.55 0.00 0.00 41.25 38.35 1bwm s ASN 367 CO 0.08 -0.56 1.07 0.11 -2.79 0.00 0.00 177.10 175.01 1bwm h LYS 368 N 8.49 0.00 -0.51 0.43 1.57 -1.95 0.54 116.57 125.15 1bwm h LYS 368 Ca -0.24 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.69 1bwm h LYS 368 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1bwm h LYS 368 CO 0.79 0.68 0.54 -0.09 -0.57 0.00 0.00 179.45 180.80 1bwm h ARG 369 N 0.00 0.00 0.00 3.15 9.65 -1.95 -3.03 114.38 122.20 1bwm h ARG 369 Ca -0.11 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1bwm h ARG 369 Cb 1.76 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.27 1bwm h ARG 369 CO 0.09 0.00 -0.32 0.39 2.80 0.00 0.00 179.97 182.93 1bwm n GLU 370 N -3.68 0.00 -3.30 0.20 1.02 -1.24 -4.99 120.64 108.64 1bwm n GLU 370 Ca 0.10 -0.70 -0.23 0.00 -0.02 0.00 0.00 57.16 56.31 1bwm n GLU 370 Cb 0.74 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 32.10 1bwm n GLU 370 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bwm n LYS 371 N 0.06 -3.68 -3.79 3.49 5.02 0.05 -4.94 118.16 114.37 1bwm n LYS 371 Ca -0.04 0.55 -0.24 0.00 -2.02 0.00 0.00 58.31 56.56 1bwm n LYS 371 Cb 0.67 -5.29 -0.02 0.00 -0.02 0.00 0.00 35.03 30.37 1bwm n LYS 371 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bwm s LYS 372 N -5.96 2.33 -0.03 1.97 1.02 -0.40 -4.41 119.74 114.25 1bwm s LYS 372 Ca 0.38 -1.85 0.02 0.00 0.02 0.00 0.00 55.97 54.54 1bwm s LYS 372 Cb -0.20 -2.18 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1bwm s LYS 372 CO 0.47 -0.46 -0.08 -0.48 -0.92 0.00 0.00 175.35 173.88 1bwm s LEU 373 N -4.22 1.73 -0.01 3.17 2.34 0.48 -0.90 118.68 121.28 1bwm s LEU 373 Ca 0.40 -0.18 0.05 0.00 0.06 0.00 0.00 54.13 54.46 1bwm s LEU 373 Cb -0.02 -0.54 -0.01 0.00 -0.56 0.00 0.00 46.19 45.06 1bwm s LEU 373 CO 0.24 0.05 -0.18 -0.44 -1.06 0.00 0.00 176.35 174.96 1bwm s SER 374 N 0.29 2.08 0.22 1.48 0.01 -1.09 -0.61 113.70 116.09 1bwm s SER 374 Ca -0.05 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 57.00 1bwm s SER 374 Cb -0.09 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1bwm s SER 374 CO 0.01 0.22 -0.15 -0.22 0.41 0.00 0.00 173.24 173.51 1bwm s LEU 375 N -0.40 2.77 0.26 2.44 0.20 -1.02 0.10 118.68 123.04 1bwm s LEU 375 Ca 0.06 -0.76 0.10 0.00 0.69 0.00 0.00 54.13 54.22 1bwm s LEU 375 Cb -0.07 -1.41 -0.05 0.00 -0.43 0.00 0.00 46.19 44.24 1bwm s LEU 375 CO -0.01 0.08 -0.08 -1.00 -0.29 0.00 0.00 176.35 175.06 1bwm s HIS 376 N -1.95 2.55 -0.32 5.38 3.76 -0.01 -2.50 115.29 122.20 1bwm s HIS 376 Ca 0.26 -0.26 0.06 0.00 -0.15 0.00 0.00 55.06 54.96 1bwm s HIS 376 Cb -0.07 -1.13 0.19 0.00 1.11 0.00 0.00 32.58 32.67 1bwm s HIS 376 CO 0.14 0.64 0.55 -1.50 -0.85 0.00 0.00 174.74 173.73 1bwm s ILE 377 N -2.32 -0.89 0.36 0.60 1.10 -0.87 -3.31 121.20 115.86 1bwm s ILE 377 Ca 0.30 -0.11 0.07 0.00 -0.51 0.00 0.00 60.65 60.40 1bwm s ILE 377 Cb -0.06 -0.74 -0.01 0.00 0.15 0.00 0.00 42.46 41.80 1bwm s ILE 377 CO 0.18 -0.09 0.40 0.28 -2.11 0.00 0.00 174.94 173.60 1bwm s THR 378 N 2.46 3.43 -1.09 4.00 -1.32 -1.26 -2.08 115.64 119.77 1bwm s THR 378 Ca 0.12 -1.20 -0.03 0.00 -1.21 0.00 0.00 61.69 59.36 1bwm s THR 378 Cb -0.09 -3.18 -0.04 0.00 -1.51 0.00 0.00 72.50 67.68 1bwm s THR 378 CO -0.21 -0.11 0.94 -0.67 -2.21 0.00 0.00 174.62 172.36 1bwm n ASP 379 N -1.56 -4.73 -4.68 8.08 -0.08 -1.26 -5.01 116.55 107.32 1bwm n ASP 379 Ca 0.01 -0.66 -0.30 0.00 -1.51 0.00 0.00 54.79 52.33 1bwm n ASP 379 Cb 0.60 -5.10 -0.10 0.00 2.34 0.00 0.00 41.12 38.86 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1bwm s SER 380 N -3.77 3.99 0.06 1.67 1.04 -1.26 -5.03 113.70 110.41 1bwm s SER 380 Ca 0.27 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1bwm s SER 380 Cb -0.03 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1bwm s SER 380 CO 0.72 -0.60 0.00 0.00 0.98 0.00 0.00 173.24 174.34 1bwm n GLN 381 N -1.09 0.00 0.00 4.02 6.02 -1.26 -3.15 117.38 121.92 1bwm n GLN 381 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1bwm n GLN 381 Cb 0.67 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.93 1bwm n GLN 381 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1bwm n PRO 382 N -2.80 1.47 0.00 -1.09 -0.02 -1.26 -4.51 135.00 126.79 1bwm n PRO 382 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1bwm n PRO 382 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1bwm n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bwm n GLY 383 N 0.50 2.92 3.80 -1.23 0.00 -1.26 -4.61 105.19 105.30 1bwm n GLY 383 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1bwm n GLY 383 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwm n ASP 384 N 0.64 -2.54 -1.16 1.61 2.03 -1.26 -4.49 116.55 111.38 1bwm n ASP 384 Ca 0.00 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.50 1bwm n ASP 384 Cb 0.00 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 1bwm n ASP 384 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1bwm n SER 385 N -2.97 -6.57 -3.57 1.67 2.88 -1.26 -4.87 113.62 98.93 1bwm n SER 385 Ca -0.17 0.88 -0.09 0.00 -1.33 0.00 0.00 58.87 58.16 1bwm n SER 385 Cb 0.62 -3.02 -0.04 0.00 -0.75 0.00 0.00 64.21 61.02 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm s ALA 386 N -2.41 -1.94 -0.19 -1.46 0.00 0.11 -4.61 121.76 111.26 1bwm s ALA 386 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 1bwm s ALA 386 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1bwm s ALA 386 CO 0.00 -0.41 -0.04 0.95 0.00 0.00 0.00 175.76 176.26 1bwm s THR 387 N -1.63 3.59 -0.32 0.00 -4.23 -0.71 -0.84 115.64 111.51 1bwm s THR 387 Ca 0.01 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 59.80 1bwm s THR 387 Cb -0.01 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1bwm s THR 387 CO -0.02 0.45 1.10 -0.31 -0.54 0.00 0.00 174.62 175.30 1bwm s TYR 388 N 0.99 3.10 -0.16 3.99 1.51 -0.70 -1.34 117.35 124.73 1bwm s TYR 388 Ca 0.00 1.15 -0.19 0.00 -1.01 0.00 0.00 57.07 57.03 1bwm s TYR 388 Cb -0.15 -3.73 -0.04 0.00 -0.11 0.00 0.00 41.96 37.94 1bwm s TYR 388 CO 0.01 -0.87 0.52 -0.06 -1.11 0.00 0.00 175.55 174.03 1bwm s PHE 389 N 3.73 3.43 -0.14 2.71 0.40 0.48 -2.61 117.98 125.98 1bwm s PHE 389 Ca 0.46 0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 57.61 1bwm s PHE 389 Cb -0.12 -2.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 1bwm s PHE 389 CO 0.16 0.00 -0.05 0.00 0.70 0.00 0.00 175.22 176.04 1bwm n ALA 391 N 3.34 -0.25 -2.75 0.00 0.00 -1.25 -2.75 120.51 116.85 1bwm n ALA 391 Ca -0.18 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.26 1bwm n ALA 391 Cb 0.53 0.73 -0.06 0.00 0.00 0.00 0.00 19.45 20.65 1bwm n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwm s ALA 392 N -2.21 -0.43 0.11 0.00 0.00 0.33 -3.39 121.76 116.18 1bwm s ALA 392 Ca 0.16 -0.48 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 1bwm s ALA 392 Cb -0.01 0.63 0.07 0.00 0.00 0.00 0.00 23.12 23.81 1bwm s ALA 392 CO 0.11 -0.59 0.81 -0.08 0.00 0.00 0.00 175.76 176.02 1bwm s THR 393 N -3.86 0.00 0.00 0.00 -1.32 -1.06 0.11 115.64 109.51 1bwm s THR 393 Ca 0.07 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1bwm s THR 393 Cb 0.03 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 1bwm s THR 393 CO -0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1bwm n GLY 399 N -0.36 -0.17 1.38 6.08 0.00 -1.26 0.97 105.19 111.83 1bwm n GLY 399 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1bwm n GLY 399 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 400 N 0.00 -2.61 -0.38 1.61 7.64 -1.26 -4.50 113.62 114.12 1bwm n SER 400 Ca 0.00 0.74 0.08 0.00 1.01 0.00 0.00 58.87 60.69 1bwm n SER 400 Cb 0.00 2.60 0.18 0.00 -1.01 0.00 0.00 64.21 65.98 1bwm n SER 400 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1bwm n PHE 401 N -3.24 0.00 -2.51 1.43 1.16 -1.26 -4.94 117.46 108.10 1bwm n PHE 401 Ca 0.00 -1.26 -0.20 0.00 -1.87 0.00 0.00 57.45 54.12 1bwm n PHE 401 Cb 0.00 -0.20 0.00 0.00 -1.61 0.00 0.00 39.48 37.67 1bwm n PHE 401 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1bwm n ASN 402 N -1.23 -5.75 -4.42 5.98 2.85 -1.26 -4.98 115.26 106.45 1bwm n ASN 402 Ca 0.17 -0.08 -0.32 0.00 -0.11 0.00 0.00 54.58 54.25 1bwm n ASN 402 Cb 0.67 -4.73 -0.14 0.00 1.24 0.00 0.00 39.78 36.83 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1bwm s LYS 403 N -5.14 2.40 -0.38 1.20 2.47 -1.26 -5.03 119.74 114.00 1bwm s LYS 403 Ca 0.06 -0.77 -0.15 0.00 -1.56 0.00 0.00 55.97 53.55 1bwm s LYS 403 Cb -0.03 -2.28 0.01 0.00 -1.46 0.00 0.00 37.83 34.07 1bwm s LYS 403 CO 0.08 0.59 0.34 -0.51 0.16 0.00 0.00 175.35 176.02 1bwm s LEU 404 N -0.67 4.77 -0.44 5.43 1.02 -1.26 -4.21 118.68 123.33 1bwm s LEU 404 Ca 0.10 -0.59 -0.25 0.00 0.02 0.00 0.00 54.13 53.42 1bwm s LEU 404 Cb -0.11 -2.26 0.02 0.00 0.02 0.00 0.00 46.19 43.86 1bwm s LEU 404 CO 0.00 -0.42 0.87 -0.89 0.02 0.00 0.00 176.35 175.93 1bwm s THR 405 N 1.90 4.56 0.33 5.49 2.01 0.30 -4.74 115.64 125.48 1bwm s THR 405 Ca 0.09 0.72 0.07 0.00 0.31 0.00 0.00 61.69 62.89 1bwm s THR 405 Cb -0.18 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1bwm s THR 405 CO 0.12 -0.73 0.33 0.72 -0.69 0.00 0.00 174.62 174.37 1bwm s PHE 406 N 3.53 2.97 -0.33 4.92 -0.12 -1.26 -0.51 117.98 127.18 1bwm s PHE 406 Ca 0.35 -0.27 0.16 0.00 -0.05 0.00 0.00 56.93 57.11 1bwm s PHE 406 Cb -0.11 -1.83 0.46 0.00 -0.63 0.00 0.00 43.02 40.91 1bwm s PHE 406 CO 0.24 0.15 1.01 0.41 -0.05 0.00 0.00 175.22 176.98 1bwm n GLY 407 N -1.43 2.56 2.90 1.99 0.00 -1.11 -4.60 105.19 105.51 1bwm n GLY 407 Ca -0.02 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 1bwm n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm n ALA 408 N -0.24 -2.83 -1.00 4.61 0.00 -1.26 -3.79 120.51 116.00 1bwm n ALA 408 Ca 0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1bwm n ALA 408 Cb 0.79 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1bwm n ALA 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwm n GLY 409 N 1.11 -3.46 3.66 0.00 0.00 -1.20 -4.39 105.19 100.92 1bwm n GLY 409 Ca -0.04 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 1bwm n GLY 409 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwm s THR 410 N -0.36 2.80 -0.16 2.61 2.01 -1.07 -4.87 115.64 116.60 1bwm s THR 410 Ca 0.00 -1.88 -0.04 0.00 0.31 0.00 0.00 61.69 60.08 1bwm s THR 410 Cb 0.00 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1bwm s THR 410 CO 0.00 -0.21 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.08 1bwm s ARG 411 N -3.75 3.64 -0.19 4.92 3.52 -1.26 -1.73 118.95 124.11 1bwm s ARG 411 Ca 0.35 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1bwm s ARG 411 Cb -0.01 -2.91 0.03 0.00 -1.56 0.00 0.00 34.95 30.50 1bwm s ARG 411 CO 0.20 0.21 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.26 1bwm s LEU 412 N 0.43 2.21 -0.15 -0.88 2.01 -0.02 -2.95 118.68 119.32 1bwm s LEU 412 Ca -0.04 -0.78 -0.07 0.00 0.01 0.00 0.00 54.13 53.25 1bwm s LEU 412 Cb -0.14 -1.31 -0.04 0.00 0.01 0.00 0.00 46.19 44.71 1bwm s LEU 412 CO 0.03 -0.09 0.10 0.00 1.01 0.00 0.00 176.35 177.40 1bwm s ALA 413 N 1.36 3.64 -0.20 4.21 0.00 -1.07 -0.71 121.76 128.99 1bwm s ALA 413 Ca 0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 1bwm s ALA 413 Cb -0.15 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1bwm s ALA 413 CO -0.10 0.39 0.12 0.08 0.00 0.00 0.00 175.76 176.25 1bwm s VAL 414 N -0.30 5.29 0.88 0.00 1.01 -1.26 0.13 120.40 126.16 1bwm s VAL 414 Ca 0.10 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 1bwm s VAL 414 Cb -0.12 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1bwm s VAL 414 CO 0.01 0.45 0.70 -1.20 0.00 0.00 0.00 175.10 175.06 1bwm n SER 415 N 3.50 -0.95 -3.77 3.32 7.64 -1.26 -4.66 113.62 117.45 1bwm n SER 415 Ca -0.16 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1bwm n SER 415 Cb 0.52 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1bwm n SER 415 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bwm n PRO 416 N -2.31 0.76 0.00 1.43 -0.05 -1.26 -4.82 135.00 128.75 1bwm n PRO 416 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.54 1bwm n PRO 416 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.97 1bwm n PRO 416 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 175.50 176.43