#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 0.07 -3.42 0.00 3.14 -1.16 -3.83 118.33 113.12 1bwm n VAL 4 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1bwm n VAL 4 Cb 0.00 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 31.01 1bwm n VAL 4 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1bwm n THR 5 N 3.84 0.00 -4.12 1.55 5.66 -0.07 -4.35 114.28 116.78 1bwm n THR 5 Ca 0.17 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.07 1bwm n THR 5 Cb 0.32 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.00 1bwm n THR 5 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1bwm s GLN 6 N -1.11 1.01 -0.30 1.09 -0.21 -1.24 -2.49 119.66 116.40 1bwm s GLN 6 Ca 0.00 -1.41 -0.37 0.00 0.02 0.00 0.00 55.36 53.60 1bwm s GLN 6 Cb 0.00 0.27 -0.13 0.00 1.00 0.00 0.00 33.01 34.15 1bwm s GLN 6 CO 0.00 -0.31 2.02 0.45 -2.12 0.00 0.00 175.29 175.33 1bwm n SER 7 N -0.14 2.31 -3.48 5.90 2.88 -0.39 -4.92 113.62 115.78 1bwm n SER 7 Ca -0.05 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1bwm n SER 7 Cb 0.64 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1bwm n SER 7 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1bwm n PRO 8 N 7.18 -0.57 -2.95 -1.46 -0.01 -1.26 -4.69 135.00 131.24 1bwm n PRO 8 Ca 0.35 0.00 -0.06 0.00 -0.01 0.00 0.00 63.50 63.79 1bwm n PRO 8 Cb 0.20 0.00 0.01 0.00 -0.01 0.00 0.00 33.50 33.69 1bwm n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 175.50 173.36 1bwm n ARG 9 N -1.05 -2.28 -1.11 -0.52 0.63 -1.26 -4.88 116.66 106.20 1bwm n ARG 9 Ca 0.00 1.99 -0.34 0.00 -0.92 0.00 0.00 57.85 58.59 1bwm n ARG 9 Cb 0.00 -3.90 0.12 0.00 0.45 0.00 0.00 32.46 29.13 1bwm n ARG 9 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1bwm n ASN 10 N 0.60 0.70 -3.75 6.15 0.23 -1.26 -5.03 115.26 112.89 1bwm n ASN 10 Ca 0.01 0.58 -0.13 0.00 -0.53 0.00 0.00 54.58 54.51 1bwm n ASN 10 Cb 0.29 -1.47 -0.10 0.00 -2.08 0.00 0.00 39.78 36.42 1bwm n ASN 10 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1bwm s LYS 11 N -3.97 0.49 0.29 -3.83 2.20 -1.26 -5.14 119.74 108.52 1bwm s LYS 11 Ca 0.72 0.31 0.07 0.00 -0.36 0.00 0.00 55.97 56.71 1bwm s LYS 11 Cb -0.29 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.23 1bwm s LYS 11 CO 0.52 -0.09 0.26 0.08 -0.36 0.00 0.00 175.35 175.77 1bwm s VAL 12 N -0.23 4.10 0.40 4.02 1.01 -1.26 -4.56 120.40 123.88 1bwm s VAL 12 Ca -0.04 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1bwm s VAL 12 Cb -0.03 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1bwm s VAL 12 CO 0.02 -0.26 0.12 0.00 0.00 0.00 0.00 175.10 174.98 1bwm s ALA 13 N -2.20 2.90 0.25 5.51 0.00 -1.09 -4.96 121.76 122.18 1bwm s ALA 13 Ca 0.37 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1bwm s ALA 13 Cb -0.07 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 1bwm s ALA 13 CO 0.26 -0.33 0.00 1.33 0.00 0.00 0.00 175.76 177.02 1bwm n VAL 14 N -0.90 0.00 -1.42 0.00 0.24 -1.26 -3.13 118.33 111.85 1bwm n VAL 14 Ca -0.06 -1.19 -0.53 0.00 -2.04 0.00 0.00 64.34 60.52 1bwm n VAL 14 Cb 0.65 0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 33.18 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 -0.62 0.16 -3.72 3.34 -1.04 0.17 0.19 114.28 112.76 1bwm n THR 15 Ca -0.10 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 1bwm n THR 15 Cb 0.32 -1.37 0.04 0.00 -1.82 0.00 0.00 70.33 67.50 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 6.56 -0.39 0.00 3.41 0.00 0.30 -4.92 105.19 110.15 1bwm n GLY 16 Ca 0.43 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.61 1.13 0.00 -0.02 0.00 0.13 -4.77 105.19 100.04 1bwm n GLY 17 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1bwm n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwm n LYS 18 N 0.00 0.00 -3.77 1.61 5.02 -1.26 -4.82 118.16 114.95 1bwm n LYS 18 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1bwm n LYS 18 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bwm s VAL 19 N -0.03 -0.01 -0.07 -0.18 1.01 -0.82 -4.84 120.40 115.46 1bwm s VAL 19 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1bwm s VAL 19 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1bwm s VAL 19 CO 0.00 0.02 -0.14 -0.89 0.00 0.00 0.00 175.10 174.09 1bwm s THR 20 N 0.48 1.31 -0.24 3.92 2.01 -1.26 -1.90 115.64 119.95 1bwm s THR 20 Ca -0.03 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1bwm s THR 20 Cb -0.04 -1.18 0.06 0.00 0.01 0.00 0.00 72.50 71.35 1bwm s THR 20 CO -0.03 0.39 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.50 1bwm s LEU 21 N 0.64 2.67 -0.29 4.42 1.43 -0.40 -4.91 118.68 122.24 1bwm s LEU 21 Ca -0.15 -1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 51.49 1bwm s LEU 21 Cb -0.16 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 1bwm s LEU 21 CO 0.04 -0.25 0.66 -0.94 0.23 0.00 0.00 176.35 176.09 1bwm s SER 22 N 1.38 6.55 -0.14 2.29 1.04 -1.26 -0.86 113.70 122.70 1bwm s SER 22 Ca -0.04 0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.88 1bwm s SER 22 Cb -0.19 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1bwm s SER 22 CO -0.07 -0.48 0.06 0.00 0.98 0.00 0.00 173.24 173.73 1bwm s ASN 24 N -0.25 0.54 0.06 0.00 2.20 -1.04 -1.36 114.94 115.08 1bwm s ASN 24 Ca 0.08 -0.24 -0.02 0.00 -0.94 0.00 0.00 52.86 51.74 1bwm s ASN 24 Cb -0.12 -0.01 -0.03 0.00 -2.00 0.00 0.00 41.25 39.08 1bwm s ASN 24 CO 0.02 -0.05 0.00 -1.58 -2.94 0.00 0.00 177.10 172.54 1bwm s GLN 25 N -0.62 0.64 -0.38 3.55 0.74 -1.09 -0.89 119.66 121.60 1bwm s GLN 25 Ca -0.03 -1.17 0.11 0.00 0.05 0.00 0.00 55.36 54.31 1bwm s GLN 25 Cb -0.05 0.23 0.40 0.00 1.10 0.00 0.00 33.01 34.69 1bwm s GLN 25 CO -0.00 -0.13 1.22 0.25 -0.55 0.00 0.00 175.29 176.08 1bwm n THR 26 N 0.10 0.23 -1.00 -0.34 -2.24 -1.26 -4.74 114.28 105.04 1bwm n THR 26 Ca -0.14 -1.97 0.09 0.00 -2.27 0.00 0.00 64.05 59.75 1bwm n THR 26 Cb 0.61 0.92 0.26 0.00 -2.10 0.00 0.00 70.33 70.03 1bwm n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bwm n ASN 27 N -0.37 3.94 -2.57 3.42 3.02 -1.26 -4.82 115.26 116.63 1bwm n ASN 27 Ca 0.01 -3.02 -0.18 0.00 -0.03 0.00 0.00 54.58 51.36 1bwm n ASN 27 Cb 0.83 -0.55 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bwm n ASN 28 N -0.49 -5.22 -4.68 6.41 2.85 -1.26 -4.96 115.26 107.91 1bwm n ASN 28 Ca 0.22 -0.29 -0.41 0.00 -0.11 0.00 0.00 54.58 53.98 1bwm n ASN 28 Cb 0.91 -3.98 -0.04 0.00 1.24 0.00 0.00 39.78 37.91 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1bwm s HIS 29 N -3.11 3.46 -2.07 1.20 -3.43 -1.26 -4.92 115.29 105.16 1bwm s HIS 29 Ca 0.31 1.26 0.13 0.00 -0.80 0.00 0.00 55.06 55.96 1bwm s HIS 29 Cb -0.14 -2.97 0.43 0.00 -1.43 0.00 0.00 32.58 28.47 1bwm s HIS 29 CO 0.39 -0.16 1.33 0.09 -2.00 0.00 0.00 174.74 174.39 1bwm n ASN 30 N 4.87 1.63 -3.66 7.38 3.02 -1.26 -4.82 115.26 122.42 1bwm n ASN 30 Ca 0.03 -1.90 -0.10 0.00 -0.03 0.00 0.00 54.58 52.58 1bwm n ASN 30 Cb 0.49 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.40 1bwm n ASN 30 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1bwm s ASN 31 N -1.17 -0.73 0.09 6.41 3.84 -1.26 -4.63 114.94 117.49 1bwm s ASN 31 Ca 0.24 1.25 0.09 0.00 0.21 0.00 0.00 52.86 54.66 1bwm s ASN 31 Cb 0.13 1.17 -0.03 0.00 -0.55 0.00 0.00 41.25 41.96 1bwm s ASN 31 CO 0.18 -0.22 -0.25 -0.04 -2.79 0.00 0.00 177.10 173.98 1bwm s MET 32 N 1.19 1.44 0.07 0.43 -1.94 -0.74 -2.02 119.30 117.73 1bwm s MET 32 Ca -0.07 -1.19 0.05 0.00 -1.71 0.00 0.00 55.69 52.77 1bwm s MET 32 Cb -0.06 -1.76 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 1bwm s MET 32 CO -0.12 0.43 -0.15 0.71 -0.01 0.00 0.00 175.02 175.88 1bwm s TYR 33 N -0.98 1.29 -0.08 -0.03 1.51 -0.12 -2.41 117.35 116.53 1bwm s TYR 33 Ca 0.11 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1bwm s TYR 33 Cb -0.10 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1bwm s TYR 33 CO 0.04 0.07 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.91 1bwm s TRP 34 N -1.19 1.18 0.42 2.71 0.52 0.09 -2.64 118.94 120.03 1bwm s TRP 34 Ca -0.00 -0.48 0.04 0.00 0.02 0.00 0.00 56.10 55.67 1bwm s TRP 34 Cb -0.10 -1.00 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 1bwm s TRP 34 CO 0.02 -0.36 0.05 0.71 0.02 0.00 0.00 176.95 177.39 1bwm s TYR 35 N 1.36 1.98 -0.16 -1.98 2.02 -1.08 -2.84 117.35 116.66 1bwm s TYR 35 Ca -0.03 -1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 55.54 1bwm s TYR 35 Cb -0.14 -1.44 0.05 0.00 -0.40 0.00 0.00 41.96 40.03 1bwm s TYR 35 CO -0.03 0.07 0.42 0.50 -1.57 0.00 0.00 175.55 174.94 1bwm s ARG 36 N -3.80 0.47 0.83 -0.62 3.00 -0.26 -2.61 118.95 115.96 1bwm s ARG 36 Ca 0.23 0.64 -0.12 0.00 -1.00 0.00 0.00 55.73 55.48 1bwm s ARG 36 Cb 0.05 0.18 0.09 0.00 0.00 0.00 0.00 34.95 35.27 1bwm s ARG 36 CO 0.12 -0.08 1.10 -1.14 0.00 0.00 0.00 175.30 175.29 1bwm s GLN 37 N 0.50 1.83 0.00 5.12 2.00 -1.08 -1.74 119.66 126.29 1bwm s GLN 37 Ca -0.02 0.65 0.00 0.00 -2.00 0.00 0.00 55.36 53.98 1bwm s GLN 37 Cb -0.04 -1.89 0.00 0.00 0.80 0.00 0.00 33.01 31.88 1bwm s GLN 37 CO -0.03 -1.80 0.00 -0.25 -0.50 0.00 0.00 175.29 172.71 1bwm n ASP 38 N -3.56 0.00 -1.29 6.67 9.92 0.11 -4.53 116.55 123.87 1bwm n ASP 38 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1bwm n ASP 38 Cb 0.56 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1bwm n ASP 38 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bwm n THR 39 N -1.68 0.00 -0.23 -3.53 -2.24 -1.23 -4.85 114.28 100.52 1bwm n THR 39 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1bwm n THR 39 Cb 0.00 -1.40 0.51 0.00 -2.10 0.00 0.00 70.33 67.33 1bwm n THR 39 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bwm h GLY 40 N 0.00 0.85 -0.94 3.38 0.00 -2.00 -3.24 103.07 101.11 1bwm h GLY 40 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1bwm h GLY 40 CO 0.00 0.01 -0.22 -2.39 0.00 0.00 0.00 176.54 173.93 1bwm n HIS 41 N -4.51 0.00 -2.66 5.60 -0.00 -1.26 -5.08 115.22 107.31 1bwm n HIS 41 Ca 0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.48 1bwm n HIS 41 Cb 0.67 0.10 -0.02 0.00 -0.00 0.00 0.00 29.99 30.74 1bwm n HIS 41 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1bwm s GLY 42 N -0.45 1.58 0.49 -1.39 0.00 -1.23 -4.18 107.32 102.13 1bwm s GLY 42 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.71 1bwm s GLY 42 CO 0.00 2.24 0.68 1.08 0.00 0.00 0.00 173.10 177.09 1bwm s LEU 43 N 3.57 3.46 -0.29 0.66 1.43 -1.26 0.04 118.68 126.29 1bwm s LEU 43 Ca 0.45 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 1bwm s LEU 43 Cb -0.13 -2.76 0.14 0.00 0.03 0.00 0.00 46.19 43.47 1bwm s LEU 43 CO 0.14 -0.96 0.88 -0.60 0.23 0.00 0.00 176.35 176.05 1bwm s ARG 44 N -4.56 0.42 0.40 1.70 3.52 -0.71 -4.76 118.95 114.96 1bwm s ARG 44 Ca 0.56 0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 56.87 1bwm s ARG 44 Cb -0.10 0.39 -0.11 0.00 -1.56 0.00 0.00 34.95 33.57 1bwm s ARG 44 CO 0.36 -0.12 0.92 -1.17 -0.81 0.00 0.00 175.30 174.47 1bwm s LEU 45 N 2.13 4.01 0.00 -0.88 2.96 -1.26 -1.10 118.68 124.54 1bwm s LEU 45 Ca -0.06 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 1bwm s LEU 45 Cb -0.06 -4.40 0.00 0.00 0.50 0.00 0.00 46.19 42.22 1bwm s LEU 45 CO -0.17 -0.30 0.00 2.30 -1.32 0.00 0.00 176.35 176.86 1bwm n ILE 46 N -0.45 0.00 -4.35 6.68 -0.00 -1.13 -2.95 119.36 117.16 1bwm n ILE 46 Ca 0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.62 1bwm n ILE 46 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 39.64 40.03 1bwm n ILE 46 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1bwm s HIS 47 N -1.00 0.88 -0.25 4.28 3.76 -1.23 0.14 115.29 121.86 1bwm s HIS 47 Ca 0.00 -0.21 -0.27 0.00 -0.15 0.00 0.00 55.06 54.42 1bwm s HIS 47 Cb 0.00 -0.55 0.16 0.00 1.11 0.00 0.00 32.58 33.29 1bwm s HIS 47 CO 0.00 -0.01 1.20 1.52 -0.85 0.00 0.00 174.74 176.59 1bwm s TYR 48 N -0.40 -0.24 -0.22 1.40 1.13 -1.26 -0.74 117.35 117.02 1bwm s TYR 48 Ca 0.02 0.51 -0.36 0.00 -1.41 0.00 0.00 57.07 55.82 1bwm s TYR 48 Cb -0.05 0.45 0.15 0.00 -1.10 0.00 0.00 41.96 41.41 1bwm s TYR 48 CO -0.00 -0.17 1.35 -1.54 -2.51 0.00 0.00 175.55 172.68 1bwm s SER 49 N -0.50 -0.04 0.00 -0.18 1.04 -1.01 -4.70 113.70 108.31 1bwm s SER 49 Ca 0.04 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1bwm s SER 49 Cb -0.03 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1bwm s SER 49 CO -0.07 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.07 1bwm n TYR 50 N -0.13 0.00 -2.15 5.02 0.18 -1.26 -1.80 117.16 117.01 1bwm n TYR 50 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 1bwm n TYR 50 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 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 1.17 2.00 3.49 -7.48 0.00 -1.26 -4.66 105.19 98.45 1bwm n GLY 51 Ca 0.00 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.00 2.98 0.00 4.61 0.00 -1.26 -4.38 121.76 121.71 1bwm s ALA 52 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1bwm s ALA 52 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1bwm s ALA 52 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1bwm n GLY 53 N 3.59 0.81 3.54 0.00 0.00 -0.36 -5.00 105.19 107.77 1bwm n GLY 53 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.85 6.42 0.30 1.61 0.01 -1.26 -4.81 113.70 113.11 1bwm s SER 54 Ca 0.00 -0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 1bwm s SER 54 Cb 0.00 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 1bwm s SER 54 CO 0.00 -0.98 0.41 0.42 0.41 0.00 0.00 173.24 173.50 1bwm s THR 55 N 3.46 0.00 -0.71 1.44 -4.23 -1.26 -4.50 115.64 109.84 1bwm s THR 55 Ca 0.31 -1.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1bwm s THR 55 Cb -0.12 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1bwm s THR 55 CO 0.23 0.00 0.65 -0.62 -0.54 0.00 0.00 174.62 174.34 1bwm n GLU 56 N -0.48 -1.59 -1.82 3.99 1.02 -1.26 -4.94 120.64 115.55 1bwm n GLU 56 Ca 0.01 1.30 -0.03 0.00 -0.02 0.00 0.00 57.16 58.41 1bwm n GLU 56 Cb 0.62 -4.13 0.02 0.00 -0.02 0.00 0.00 31.44 27.93 1bwm n GLU 56 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bwm n LYS 57 N -1.76 0.64 0.00 3.49 3.00 -1.10 -4.95 118.16 117.48 1bwm n LYS 57 Ca -0.11 -1.50 0.00 0.00 -0.00 0.00 0.00 58.31 56.69 1bwm n LYS 57 Cb 0.58 0.16 0.00 0.00 0.00 0.00 0.00 35.03 35.78 1bwm n LYS 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bwm n GLY 58 N -0.49 0.86 0.01 3.14 0.00 0.37 -4.75 105.19 104.34 1bwm n GLY 58 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1bwm n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwm n ASP 59 N 0.00 3.90 -3.00 1.61 2.03 -1.15 -4.84 116.55 115.10 1bwm n ASP 59 Ca 0.00 -0.01 -0.23 0.00 0.52 0.00 0.00 54.79 55.07 1bwm n ASP 59 Cb 0.00 0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 1bwm n ASP 59 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1bwm n ILE 60 N -2.48 1.77 -1.55 5.18 -6.64 -1.26 -5.03 119.36 109.35 1bwm n ILE 60 Ca -0.05 -5.10 -0.14 0.00 -1.77 0.00 0.00 62.75 55.69 1bwm n ILE 60 Cb 0.56 -0.90 -0.09 0.00 -1.44 0.00 0.00 39.64 37.78 1bwm n ILE 60 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1bwm n PRO 61 N -0.06 0.46 -3.09 6.28 -0.01 -1.26 -4.71 135.00 132.60 1bwm n PRO 61 Ca 0.28 -0.88 0.05 0.00 -0.01 0.00 0.00 63.50 62.94 1bwm n PRO 61 Cb 0.52 -3.49 0.00 0.00 -0.01 0.00 0.00 33.50 30.52 1bwm n PRO 61 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 1bwm s ASP 62 N 9.68 -0.58 0.00 2.55 2.15 -1.26 -4.98 116.67 124.23 1bwm s ASP 62 Ca 0.94 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.91 1bwm s ASP 62 Cb -0.18 1.24 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 1bwm s ASP 62 CO 0.13 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 1bwm n GLY 63 N 4.88 1.21 3.44 2.66 0.00 -1.26 -5.13 105.19 110.99 1bwm n GLY 63 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.80 0.30 1.61 -0.85 -1.26 -4.03 117.35 114.92 1bwm s TYR 65 Ca 0.00 -1.13 0.03 0.00 -0.52 0.00 0.00 57.07 55.45 1bwm s TYR 65 Cb 0.00 -1.14 -0.04 0.00 0.38 0.00 0.00 41.96 41.15 1bwm s TYR 65 CO 0.00 -0.19 0.13 0.15 -1.52 0.00 0.00 175.55 174.12 1bwm s LYS 66 N -3.86 1.56 0.15 -3.49 1.02 -1.25 -4.90 119.74 108.97 1bwm s LYS 66 Ca 0.33 -1.88 -0.24 0.00 0.02 0.00 0.00 55.97 54.19 1bwm s LYS 66 Cb 0.06 -0.26 0.08 0.00 -0.52 0.00 0.00 37.83 37.19 1bwm s LYS 66 CO 0.15 -0.38 1.05 0.00 -0.92 0.00 0.00 175.35 175.25 1bwm s ALA 67 N -3.60 -1.71 0.01 5.17 0.00 -1.26 0.13 121.76 120.50 1bwm s ALA 67 Ca 0.35 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 1bwm s ALA 67 Cb 0.06 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1bwm s ALA 67 CO 0.16 -1.06 0.54 -1.54 0.00 0.00 0.00 175.76 173.85 1bwm s SER 68 N -3.22 -0.47 -0.41 0.00 1.04 -0.66 -4.93 113.70 105.06 1bwm s SER 68 Ca 0.18 0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.98 1bwm s SER 68 Cb -0.01 0.48 0.19 0.00 0.10 0.00 0.00 66.02 66.78 1bwm s SER 68 CO 0.03 -0.65 0.39 -1.14 0.98 0.00 0.00 173.24 172.85 1bwm n ARG 69 N 0.67 0.35 -0.26 4.02 3.00 -1.26 -1.97 116.66 121.21 1bwm n ARG 69 Ca -0.19 -3.22 -0.03 0.00 -0.00 0.00 0.00 57.85 54.41 1bwm n ARG 69 Cb 0.59 -1.59 0.09 0.00 0.00 0.00 0.00 32.46 31.55 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 5.25 0.85 -5.64 -0.14 0.13 -1.97 -0.95 132.00 129.53 1bwm h PRO 70 Ca 0.22 -0.05 -0.46 0.00 -0.87 0.00 0.00 66.00 64.84 1bwm h PRO 70 Cb 0.90 -0.19 -0.21 0.00 0.13 0.00 0.00 31.00 31.62 1bwm h PRO 70 CO 0.40 0.56 -0.79 -1.12 -0.23 0.00 0.00 178.00 176.82 1bwm s SER 71 N -5.75 2.02 0.62 1.44 0.01 -1.26 -4.69 113.70 106.09 1bwm s SER 71 Ca -0.13 -0.67 0.28 0.00 1.31 0.00 0.00 55.95 56.74 1bwm s SER 71 Cb 0.16 -0.08 1.44 0.00 0.21 0.00 0.00 66.02 67.75 1bwm s SER 71 CO 0.77 -0.04 1.84 -0.61 0.41 0.00 0.00 173.24 175.62 1bwm h GLN 72 N 4.11 0.00 0.00 12.44 -0.00 -1.83 0.18 115.11 130.01 1bwm h GLN 72 Ca -0.43 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.03 1bwm h GLN 72 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.63 1bwm h GLN 72 CO 0.41 0.00 -1.69 0.39 0.00 0.00 0.00 178.83 177.95 1bwm n GLU 73 N -3.40 0.64 -3.08 1.69 1.02 -1.26 -4.86 120.64 111.39 1bwm n GLU 73 Ca 0.05 0.13 -0.32 0.00 -0.02 0.00 0.00 57.16 57.01 1bwm n GLU 73 Cb 0.63 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 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 -5.59 6.72 -0.30 1.62 -0.87 0.63 -2.68 114.94 114.47 1bwm s ASN 74 Ca -0.05 1.25 -0.16 0.00 -1.57 0.00 0.00 52.86 52.34 1bwm s ASN 74 Cb 0.09 -2.36 0.17 0.00 -0.02 0.00 0.00 41.25 39.12 1bwm s ASN 74 CO 0.83 -0.25 1.04 0.12 -2.57 0.00 0.00 177.10 176.27 1bwm s PHE 75 N -2.06 -0.58 0.01 2.20 2.19 -0.46 -4.41 117.98 114.88 1bwm s PHE 75 Ca 0.54 1.01 0.08 0.00 0.33 0.00 0.00 56.93 58.88 1bwm s PHE 75 Cb -0.10 0.35 -0.02 0.00 -1.31 0.00 0.00 43.02 41.93 1bwm s PHE 75 CO 0.20 -0.29 -0.23 -1.54 1.83 0.00 0.00 175.22 175.19 1bwm s SER 76 N 2.30 2.77 0.22 6.13 1.04 -0.83 0.89 113.70 126.22 1bwm s SER 76 Ca -0.03 -0.49 0.10 0.00 0.48 0.00 0.00 55.95 56.02 1bwm s SER 76 Cb -0.05 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 1bwm s SER 76 CO -0.17 0.25 -0.19 -0.76 0.98 0.00 0.00 173.24 173.35 1bwm s LEU 77 N -0.89 2.53 0.39 2.42 2.01 -0.04 -1.65 118.68 123.46 1bwm s LEU 77 Ca 0.09 -0.97 0.04 0.00 0.01 0.00 0.00 54.13 53.30 1bwm s LEU 77 Cb -0.09 -0.93 -0.04 0.00 0.01 0.00 0.00 46.19 45.14 1bwm s LEU 77 CO 0.01 -0.02 0.08 -0.63 1.01 0.00 0.00 176.35 176.79 1bwm s ILE 78 N -2.44 0.93 0.00 -0.59 1.09 0.35 -1.28 121.20 119.26 1bwm s ILE 78 Ca 0.24 -2.00 0.00 0.00 -1.10 0.00 0.00 60.65 57.79 1bwm s ILE 78 Cb -0.04 -2.51 0.00 0.00 -1.06 0.00 0.00 42.46 38.85 1bwm s ILE 78 CO 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 174.94 174.94 1bwm n LEU 79 N -0.88 0.00 -0.03 2.97 -0.00 -0.80 -3.84 117.00 114.42 1bwm n LEU 79 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.90 1bwm n LEU 79 Cb 0.66 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.04 1bwm n LEU 79 CO 0.39 0.00 -0.72 -0.62 -0.00 0.00 0.00 177.39 176.44 1bwm n GLU 80 N 0.00 0.84 -1.02 1.47 1.02 -1.26 -1.94 120.64 119.75 1bwm n GLU 80 Ca 0.00 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 1bwm n GLU 80 Cb 0.00 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1bwm n GLU 80 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1bwm n LEU 81 N -2.59 5.77 -4.89 -4.62 4.32 -1.26 -2.57 117.00 111.15 1bwm n LEU 81 Ca -0.12 -3.31 -0.34 0.00 -0.02 0.00 0.00 56.01 52.22 1bwm n LEU 81 Cb 0.64 -1.25 -0.05 0.00 -1.62 0.00 0.00 43.42 41.15 1bwm n LEU 81 CO 0.08 0.80 -0.09 0.00 -1.22 0.00 0.00 177.39 176.96 1bwm s ALA 82 N 3.41 3.88 0.43 -1.18 0.00 -1.26 -4.85 121.76 122.19 1bwm s ALA 82 Ca 0.50 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.90 1bwm s ALA 82 Cb 0.13 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 1bwm s ALA 82 CO -0.02 0.68 0.37 0.95 0.00 0.00 0.00 175.76 177.74 1bwm s THR 83 N -1.32 2.55 0.00 0.00 -4.23 -1.26 0.11 115.64 111.48 1bwm s THR 83 Ca 0.28 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1bwm s THR 83 Cb -0.13 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1bwm s THR 83 CO 0.17 0.00 0.63 -0.81 -0.54 0.00 0.00 174.62 174.07 1bwm n PRO 84 N -1.55 0.36 0.00 3.99 -0.05 -1.24 -2.57 135.00 133.94 1bwm n PRO 84 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.48 1bwm n PRO 84 Cb 0.62 -1.32 0.00 0.00 -0.05 0.00 0.00 33.50 32.75 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 1.58 0.00 0.00 3.54 7.64 -1.26 -4.87 113.62 120.24 1bwm n SER 85 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bwm n SER 85 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 3.88 -0.24 1.43 1.13 -1.06 -5.09 117.38 117.43 1bwm n GLN 86 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1bwm n GLN 86 Cb 0.00 -0.65 0.17 0.00 0.11 0.00 0.00 30.24 29.87 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1bwm n THR 87 N -0.51 0.00 -1.15 5.09 -1.04 -1.26 -4.93 114.28 110.48 1bwm n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bwm n THR 87 Cb 0.01 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1bwm n THR 87 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bwm n SER 88 N -3.55 0.00 -4.26 8.00 7.64 -1.03 -4.75 113.62 115.67 1bwm n SER 88 Ca 0.08 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.61 1bwm n SER 88 Cb 0.35 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.40 1bwm n SER 88 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bwm s VAL 89 N -3.66 3.03 -0.39 0.44 1.01 -1.26 -1.82 120.40 117.75 1bwm s VAL 89 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1bwm s VAL 89 Cb 0.00 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1bwm s VAL 89 CO 0.00 0.44 1.03 -0.31 0.00 0.00 0.00 175.10 176.26 1bwm s TYR 90 N 1.43 3.02 -0.12 5.22 1.51 0.13 -2.62 117.35 125.91 1bwm s TYR 90 Ca 0.05 0.87 -0.06 0.00 -1.01 0.00 0.00 57.07 56.93 1bwm s TYR 90 Cb -0.14 -3.89 -0.04 0.00 -0.11 0.00 0.00 41.96 37.78 1bwm s TYR 90 CO -0.06 -0.94 0.08 -0.06 -1.11 0.00 0.00 175.55 173.46 1bwm s PHE 91 N 3.81 3.38 -0.25 2.71 0.08 -1.07 -1.97 117.98 124.68 1bwm s PHE 91 Ca 0.43 0.32 0.01 0.00 0.12 0.00 0.00 56.93 57.81 1bwm s PHE 91 Cb -0.11 -1.93 0.06 0.00 -0.57 0.00 0.00 43.02 40.48 1bwm s PHE 91 CO 0.22 0.51 -0.06 0.00 -0.10 0.00 0.00 175.22 175.79 1bwm s ALA 93 N 1.32 0.25 0.00 0.00 0.00 -1.08 -3.79 121.76 118.47 1bwm s ALA 93 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1bwm s ALA 93 Cb -0.19 0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1bwm s ALA 93 CO -0.06 -0.06 0.00 -1.13 0.00 0.00 0.00 175.76 174.51 1bwm n SER 94 N 2.06 0.98 -0.99 0.00 3.41 -1.26 -0.94 113.62 116.88 1bwm n SER 94 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1bwm n SER 94 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1bwm n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 95 N 5.00 2.16 2.77 5.00 0.00 -0.86 -2.64 105.19 116.62 1bwm n GLY 95 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 1bwm n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 96 N -0.99 0.11 -0.09 -0.02 0.00 -1.26 -4.12 107.32 100.95 1bwm s GLY 96 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.78 1bwm s GLY 96 CO 0.00 1.09 1.66 1.20 0.00 0.00 0.00 173.10 177.05 1bwm s GLN 97 N 1.61 4.07 0.00 2.90 -0.21 -1.26 -3.65 119.66 123.12 1bwm s GLN 97 Ca -0.03 2.08 0.00 0.00 0.02 0.00 0.00 55.36 57.43 1bwm s GLN 97 Cb -0.12 -4.01 0.00 0.00 1.00 0.00 0.00 33.01 29.88 1bwm s GLN 97 CO -0.04 -0.97 0.00 0.41 -2.12 0.00 0.00 175.29 172.57 1bwm n GLY 98 N 4.28 0.68 2.87 3.09 0.00 -1.26 -4.92 105.19 109.93 1bwm n GLY 98 Ca 0.18 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 1bwm n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bwm n ARG 99 N 0.00 -2.52 -3.79 1.61 0.00 -1.26 -5.04 116.66 105.66 1bwm n ARG 99 Ca 0.00 2.18 -0.13 0.00 -0.00 0.00 0.00 57.85 59.90 1bwm n ARG 99 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 32.46 28.38 1bwm n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bwm s ALA 104 N -1.40 -0.66 0.37 5.13 0.00 -1.24 -4.98 121.76 118.98 1bwm s ALA 104 Ca -0.01 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 1bwm s ALA 104 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 1bwm s ALA 104 CO 0.54 -0.19 0.71 -1.21 0.00 0.00 0.00 175.76 175.61 1bwm s GLU 105 N -0.60 3.75 -0.07 0.00 2.02 -1.26 -4.58 118.70 117.95 1bwm s GLU 105 Ca -0.07 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 1bwm s GLU 105 Cb -0.04 -2.46 -0.06 0.00 0.10 0.00 0.00 34.13 31.67 1bwm s GLU 105 CO 0.02 0.04 1.76 -1.14 0.02 0.00 0.00 175.26 175.96 1bwm s GLN 106 N -3.73 4.04 -1.21 1.61 0.74 -1.26 -4.57 119.66 115.28 1bwm s GLN 106 Ca 0.49 2.20 -0.15 0.00 0.05 0.00 0.00 55.36 57.95 1bwm s GLN 106 Cb -0.10 -4.06 -0.05 0.00 1.10 0.00 0.00 33.01 29.89 1bwm s GLN 106 CO 0.30 -1.02 2.24 1.19 -0.55 0.00 0.00 175.29 177.45 1bwm n PHE 107 N 7.73 2.57 -1.90 1.67 3.72 -1.08 -4.84 117.46 125.34 1bwm n PHE 107 Ca 0.19 -2.51 -0.43 0.00 -0.05 0.00 0.00 57.45 54.65 1bwm n PHE 107 Cb 0.43 -2.18 -0.03 0.00 -0.94 0.00 0.00 39.48 36.77 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1bwm s PHE 108 N 3.60 1.71 0.00 1.38 0.08 -1.26 -4.03 117.98 119.46 1bwm s PHE 108 Ca 0.53 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.85 1bwm s PHE 108 Cb 0.14 -4.03 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 1bwm s PHE 108 CO -0.02 -3.88 0.00 0.41 -0.10 0.00 0.00 175.22 171.63 1bwm n GLY 109 N 4.80 2.72 3.77 4.36 0.00 -1.25 -4.89 105.19 114.70 1bwm n GLY 109 Ca 0.21 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1bwm n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bwm s PRO 110 N -0.26 4.13 0.00 1.61 0.04 -1.26 -4.82 135.00 134.44 1bwm s PRO 110 Ca 0.00 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1bwm s PRO 110 Cb 0.00 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1bwm s PRO 110 CO 0.00 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1bwm n GLY 111 N 0.93 5.53 2.96 0.56 0.00 -1.26 -3.63 105.19 110.29 1bwm n GLY 111 Ca 0.03 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 1bwm n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwm s THR 112 N 0.41 0.16 -0.18 2.61 2.01 -0.83 -4.91 115.64 114.91 1bwm s THR 112 Ca 0.00 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 1bwm s THR 112 Cb 0.00 -0.24 0.05 0.00 0.01 0.00 0.00 72.50 72.32 1bwm s THR 112 CO 0.00 -0.29 0.01 0.00 -0.69 0.00 0.00 174.62 173.65 1bwm s ARG 113 N -0.96 0.88 0.10 4.92 1.70 -1.26 0.19 118.95 124.52 1bwm s ARG 113 Ca -0.09 -0.46 0.06 0.00 -0.47 0.00 0.00 55.73 54.76 1bwm s ARG 113 Cb -0.07 -2.06 -0.03 0.00 -0.57 0.00 0.00 34.95 32.22 1bwm s ARG 113 CO -0.00 -0.58 -0.15 -0.48 -1.08 0.00 0.00 175.30 173.01 1bwm s LEU 114 N 1.78 2.35 -0.03 -1.89 0.05 -0.75 -4.77 118.68 115.41 1bwm s LEU 114 Ca -0.01 -0.73 0.05 0.00 0.05 0.00 0.00 54.13 53.49 1bwm s LEU 114 Cb -0.17 -0.56 -0.01 0.00 -2.05 0.00 0.00 46.19 43.40 1bwm s LEU 114 CO -0.07 -0.11 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.54 1bwm s THR 115 N -1.77 1.52 -0.35 5.48 2.01 -1.26 -2.48 115.64 118.79 1bwm s THR 115 Ca 0.05 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1bwm s THR 115 Cb -0.07 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.17 1bwm s THR 115 CO 0.03 0.43 0.17 -0.69 -0.69 0.00 0.00 174.62 173.87 1bwm s VAL 116 N -0.16 4.40 0.92 3.82 1.01 -1.25 -2.66 120.40 126.49 1bwm s VAL 116 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1bwm s VAL 116 Cb -0.10 -3.40 0.22 0.00 0.00 0.00 0.00 36.38 33.10 1bwm s VAL 116 CO 0.01 -0.13 0.99 0.18 0.00 0.00 0.00 175.10 176.15 1bwm n LEU 116 N 4.95 0.00 0.00 3.92 4.32 -1.18 -3.67 117.00 125.34 1bwm n LEU 116 Ca -0.13 -1.07 0.00 0.00 -0.02 0.00 0.00 56.01 54.80 1bwm n LEU 116 Cb 0.47 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 1bwm n LEU 116 CO 0.35 -1.65 0.00 0.61 -1.22 0.00 0.00 177.39 175.47 1bwm n GLY 201 N -2.89 -0.19 2.12 -0.72 0.00 -1.26 0.46 105.19 102.72 1bwm n GLY 201 Ca 0.13 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 1bwm n GLY 201 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 202 N 0.00 -0.70 -3.95 1.61 2.88 -1.26 -4.54 113.62 107.67 1bwm n SER 202 Ca 0.00 -2.30 -0.14 0.00 -1.33 0.00 0.00 58.87 55.09 1bwm n SER 202 Cb 0.00 1.40 -0.09 0.00 -0.75 0.00 0.00 64.21 64.76 1bwm n SER 202 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1bwm s ASP 203 N -2.44 0.66 -0.06 -3.46 -4.77 -1.26 -5.07 116.67 100.27 1bwm s ASP 203 Ca 0.22 -1.50 0.23 0.00 -3.30 0.00 0.00 52.55 48.19 1bwm s ASP 203 Cb 0.00 0.43 0.43 0.00 -1.09 0.00 0.00 42.92 42.69 1bwm s ASP 203 CO 0.15 -0.91 1.18 -1.22 0.70 0.00 0.00 175.17 175.07 1bwm n TYR 204 N -0.39 0.11 0.08 2.11 4.01 -1.26 -4.92 117.16 116.91 1bwm n TYR 204 Ca 0.04 -0.79 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 1bwm n TYR 204 Cb 0.65 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1bwm n TYR 204 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1bwm n LYS 205 N 0.14 0.00 -3.97 -0.72 4.81 -1.26 -5.11 118.16 112.05 1bwm n LYS 205 Ca 0.09 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.18 1bwm n LYS 205 Cb 1.05 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.99 1bwm n LYS 205 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bwm s ASP 206 N -2.00 5.43 -0.07 3.14 1.11 -1.26 -5.09 116.67 117.93 1bwm s ASP 206 Ca 0.00 -0.02 0.04 0.00 0.18 0.00 0.00 52.55 52.75 1bwm s ASP 206 Cb 0.00 -1.94 -0.02 0.00 1.07 0.00 0.00 42.92 42.03 1bwm s ASP 206 CO 0.00 0.11 -0.20 -0.62 1.18 0.00 0.00 175.17 175.64 1bwm s ASP 207 N 0.75 3.54 -0.34 0.27 2.15 -1.26 -4.78 116.67 117.01 1bwm s ASP 207 Ca 0.03 -0.38 -0.22 0.00 0.43 0.00 0.00 52.55 52.41 1bwm s ASP 207 Cb -0.13 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.51 1bwm s ASP 207 CO 0.02 0.26 0.72 -1.81 -0.17 0.00 0.00 175.17 174.20 1bwm s ASP 208 N -0.25 6.54 0.87 -0.34 1.01 -1.26 -5.04 116.67 118.20 1bwm s ASP 208 Ca 0.00 0.40 -0.11 0.00 0.71 0.00 0.00 52.55 53.55 1bwm s ASP 208 Cb -0.13 -2.37 0.12 0.00 1.01 0.00 0.00 42.92 41.55 1bwm s ASP 208 CO 0.03 -0.62 1.10 1.51 0.21 0.00 0.00 175.17 177.40 1bwm s ASP 209 N 1.73 3.51 0.00 0.27 1.47 -1.26 -5.06 116.67 117.34 1bwm s ASP 209 Ca 0.29 1.82 -0.16 0.00 1.18 0.00 0.00 52.55 55.68 1bwm s ASP 209 Cb -0.14 -2.43 0.03 0.00 -0.34 0.00 0.00 42.92 40.03 1bwm s ASP 209 CO 0.14 -2.67 0.34 -0.54 0.68 0.00 0.00 175.17 173.13 1bwm s LYS 210 N -4.80 0.75 -0.16 2.11 -0.14 -1.26 -5.06 119.74 111.17 1bwm s LYS 210 Ca 0.64 -0.25 0.06 0.00 -1.36 0.00 0.00 55.97 55.06 1bwm s LYS 210 Cb -0.20 0.33 0.20 0.00 -1.68 0.00 0.00 37.83 36.48 1bwm s LYS 210 CO 0.57 -0.22 1.09 0.54 -0.76 0.00 0.00 175.35 176.58 1bwm n ARG 211 N 1.02 0.66 -3.80 1.68 5.12 -1.26 -5.15 116.66 114.93 1bwm n ARG 211 Ca -0.20 -0.85 -0.10 0.00 -1.93 0.00 0.00 57.85 54.77 1bwm n ARG 211 Cb 0.57 0.39 0.02 0.00 -1.16 0.00 0.00 32.46 32.27 1bwm n ARG 211 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1bwm n SER 212 N -0.75 -2.08 -2.68 0.55 2.88 -1.26 -5.11 113.62 105.18 1bwm n SER 212 Ca -0.16 -2.65 -0.05 0.00 -1.33 0.00 0.00 58.87 54.68 1bwm n SER 212 Cb 0.71 3.52 0.11 0.00 -0.75 0.00 0.00 64.21 67.80 1bwm n SER 212 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 213 N -0.54 -1.05 0.00 0.46 0.00 -1.26 -5.13 105.19 97.67 1bwm n GLY 213 Ca -0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1bwm n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 214 N 0.58 0.75 0.00 -0.02 0.00 -1.26 -4.97 105.19 100.26 1bwm n GLY 214 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1bwm n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 215 N 5.00 4.17 1.48 -0.02 0.00 -1.26 -5.03 105.19 109.53 1bwm n GLY 215 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 1bwm n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 216 N 0.00 0.41 2.17 -0.02 0.00 -1.26 -4.99 105.19 101.50 1bwm n GLY 216 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1bwm n GLY 216 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 217 N -0.45 -1.24 -2.28 1.61 7.64 -1.26 -4.97 113.62 112.67 1bwm n SER 217 Ca -0.13 -2.05 -0.33 0.00 1.01 0.00 0.00 58.87 57.37 1bwm n SER 217 Cb 0.61 0.54 0.07 0.00 -1.01 0.00 0.00 64.21 64.43 1bwm n SER 217 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwm n GLY 218 N -1.07 5.95 2.55 0.23 0.00 -1.26 -4.75 105.19 106.83 1bwm n GLY 218 Ca -0.19 -2.36 -0.37 0.00 0.00 0.00 0.00 46.02 43.11 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 -0.89 5.17 0.00 -0.02 0.00 -1.26 -4.83 105.19 103.36 1bwm n GLY 219 Ca 0.60 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 1.00 4.12 0.00 -0.02 0.00 -1.26 -5.16 105.19 103.87 1bwm n GLY 220 Ca 0.56 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.73 0.16 0.72 -0.02 0.00 -1.26 -4.98 105.19 99.08 1bwm n GLY 221 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1bwm n GLY 221 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 222 N 0.00 0.00 -4.79 1.61 7.64 -1.26 -5.13 113.62 111.68 1bwm n SER 222 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1bwm n SER 222 Cb 0.00 0.18 0.09 0.00 -1.01 0.00 0.00 64.21 63.47 1bwm n SER 222 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bwm s GLY 223 N -1.41 1.63 -0.38 0.23 0.00 -1.26 -5.04 107.32 101.09 1bwm s GLY 223 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.59 1bwm s GLY 223 CO 0.00 0.30 0.96 -0.32 0.00 0.00 0.00 173.10 174.04 1bwm s GLY 224 N -3.79 -1.63 -0.15 0.20 0.00 -1.26 -5.13 107.32 95.55 1bwm s GLY 224 Ca 0.61 0.49 -0.13 0.00 0.00 0.00 0.00 44.72 45.69 1bwm s GLY 224 CO 0.55 4.10 0.27 -0.45 0.00 0.00 0.00 173.10 177.57 1bwm s SER 225 N 1.27 6.42 0.12 1.64 0.15 -1.26 -5.09 113.70 116.96 1bwm s SER 225 Ca 0.22 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1bwm s SER 225 Cb 0.06 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1bwm s SER 225 CO -0.10 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1bwm n GLY 226 N 3.20 -1.80 3.83 9.45 0.00 -1.26 -5.17 105.19 113.44 1bwm n GLY 226 Ca -0.13 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1bwm n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 227 N -3.26 3.02 0.07 4.61 0.00 -1.26 -5.23 121.76 119.72 1bwm s ALA 227 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1bwm s ALA 227 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1bwm s ALA 227 CO 0.00 -0.16 0.05 -0.65 0.00 0.00 0.00 175.76 175.01 1bwm s GLN 301 N -3.72 0.72 -0.22 0.00 1.11 -1.26 -5.29 119.66 111.01 1bwm s GLN 301 Ca 0.61 -1.16 -0.10 0.00 0.01 0.00 0.00 55.36 54.72 1bwm s GLN 301 Cb -0.10 0.26 -0.18 0.00 -1.01 0.00 0.00 33.01 31.97 1bwm s GLN 301 CO 0.25 -0.18 -0.04 0.00 0.01 0.00 0.00 175.29 175.33 1bwm n GLN 302 N 0.03 0.64 -2.01 2.91 10.64 -1.26 -4.84 117.38 123.49 1bwm n GLN 302 Ca -0.13 0.30 -0.43 0.00 -1.83 0.00 0.00 57.00 54.91 1bwm n GLN 302 Cb 0.62 -1.60 -0.03 0.00 -0.86 0.00 0.00 30.24 28.37 1bwm n GLN 302 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1bwm s VAL 303 N -2.49 3.53 -0.51 -0.39 1.01 -1.26 -3.37 120.40 116.92 1bwm s VAL 303 Ca -0.32 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1bwm s VAL 303 Cb 0.10 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 33.01 1bwm s VAL 303 CO 0.60 -0.30 0.35 -0.60 0.00 0.00 0.00 175.10 175.15 1bwm s ARG 304 N 5.15 2.40 0.04 2.72 3.52 -1.09 -4.59 118.95 127.11 1bwm s ARG 304 Ca 0.78 -2.02 -0.23 0.00 -0.13 0.00 0.00 55.73 54.13 1bwm s ARG 304 Cb -0.25 -3.79 -0.06 0.00 -1.56 0.00 0.00 34.95 29.28 1bwm s ARG 304 CO 0.32 -1.16 0.70 1.14 -0.81 0.00 0.00 175.30 175.49 1bwm s GLN 305 N 0.86 4.43 -0.39 5.12 1.03 -1.26 -1.41 119.66 128.04 1bwm s GLN 305 Ca 0.10 0.94 -0.34 0.00 0.04 0.00 0.00 55.36 56.10 1bwm s GLN 305 Cb -0.23 -3.34 -0.12 0.00 0.03 0.00 0.00 33.01 29.36 1bwm s GLN 305 CO -0.03 0.35 2.23 0.43 -2.54 0.00 0.00 175.29 175.73 1bwm n SER 306 N 2.64 2.05 -4.55 12.60 7.64 -0.91 -4.80 113.62 128.28 1bwm n SER 306 Ca -0.05 0.34 -0.34 0.00 1.01 0.00 0.00 58.87 59.84 1bwm n SER 306 Cb 0.50 -1.27 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1bwm n SER 306 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bwm s PRO 307 N 6.47 2.20 0.00 1.43 0.05 -1.26 -4.61 135.00 139.28 1bwm s PRO 307 Ca 1.10 1.03 0.00 0.00 0.05 0.00 0.00 61.00 63.18 1bwm s PRO 307 Cb -0.84 -4.58 0.00 0.00 0.05 0.00 0.00 34.50 29.14 1bwm s PRO 307 CO 0.48 -3.27 0.00 1.04 0.05 0.00 0.00 177.00 175.29 1bwm n GLN 308 N 9.03 0.00 -1.84 4.56 6.02 -1.26 -5.16 117.38 128.73 1bwm n GLN 308 Ca 0.34 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 57.01 1bwm n GLN 308 Cb 0.53 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.81 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1bwm s SER 309 N 0.00 5.68 0.00 1.08 1.04 -1.26 -4.91 113.70 115.32 1bwm s SER 309 Ca 0.00 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1bwm s SER 309 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1bwm s SER 309 CO 0.00 -1.24 0.00 0.00 0.98 0.00 0.00 173.24 172.98 1bwm n LEU 310 N -2.55 0.00 -3.83 2.42 -0.00 -1.22 -5.02 117.00 106.80 1bwm n LEU 310 Ca 0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.79 1bwm n LEU 310 Cb 0.53 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.80 1bwm n LEU 310 CO 0.52 0.00 -0.35 -0.89 -0.00 0.00 0.00 177.39 176.67 1bwm s THR 311 N -2.50 1.28 0.61 1.47 2.01 -1.26 -2.47 115.64 114.79 1bwm s THR 311 Ca 0.00 -1.54 -0.18 0.00 0.31 0.00 0.00 61.69 60.29 1bwm s THR 311 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1bwm s THR 311 CO 0.00 -0.54 1.15 0.54 -0.69 0.00 0.00 174.62 175.08 1bwm s VAL 312 N 1.43 2.98 0.37 3.82 0.11 -0.39 -4.81 120.40 123.91 1bwm s VAL 312 Ca 0.07 0.55 -0.26 0.00 -2.93 0.00 0.00 61.98 59.41 1bwm s VAL 312 Cb -0.18 -3.15 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1bwm s VAL 312 CO -0.17 -0.19 1.17 0.86 -3.33 0.00 0.00 175.10 173.44 1bwm s TRP 313 N -1.92 3.15 -0.81 1.54 -0.11 -1.26 -3.26 118.94 116.27 1bwm s TRP 313 Ca 0.72 1.56 -0.26 0.00 1.22 0.00 0.00 56.10 59.35 1bwm s TRP 313 Cb -0.25 -3.40 -0.13 0.00 -1.50 0.00 0.00 33.47 28.19 1bwm s TRP 313 CO 0.34 -1.24 2.36 -2.00 -4.62 0.00 0.00 176.95 171.79 1bwm s GLU 314 N -2.11 1.66 0.00 5.86 2.12 -1.26 -1.30 118.70 123.67 1bwm s GLU 314 Ca 0.54 0.38 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1bwm s GLU 314 Cb -0.32 -4.82 0.00 0.00 0.26 0.00 0.00 34.13 29.26 1bwm s GLU 314 CO 0.40 -4.40 0.00 0.41 -0.54 0.00 0.00 175.26 171.13 1bwm n GLY 315 N 6.80 1.38 0.00 -1.50 0.00 -1.25 -4.98 105.19 105.64 1bwm n GLY 315 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1bwm n GLY 315 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bwm n GLU 316 N 0.00 0.29 -4.66 1.61 1.02 -0.42 -3.98 120.64 114.50 1bwm n GLU 316 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1bwm n GLU 316 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1bwm n GLU 316 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bwm s THR 317 N -0.53 1.48 0.02 2.62 -1.32 -1.26 -3.97 115.64 112.68 1bwm s THR 317 Ca 0.00 -1.97 -0.17 0.00 -1.21 0.00 0.00 61.69 58.34 1bwm s THR 317 Cb 0.00 -2.44 0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1bwm s THR 317 CO 0.00 0.00 0.38 -0.89 -2.21 0.00 0.00 174.62 171.90 1bwm s THR 318 N -2.81 0.06 -0.08 5.08 2.01 -0.94 -4.88 115.64 114.07 1bwm s THR 318 Ca 0.17 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1bwm s THR 318 Cb 0.04 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.72 1bwm s THR 318 CO 0.09 -0.26 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.10 1bwm s ILE 319 N -2.05 0.59 0.09 1.82 1.01 -1.26 -2.31 121.20 119.09 1bwm s ILE 319 Ca -0.08 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1bwm s ILE 319 Cb -0.02 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1bwm s ILE 319 CO 0.00 0.29 0.14 -0.76 0.00 0.00 0.00 174.94 174.61 1bwm s LEU 320 N 1.76 3.98 0.02 2.97 1.02 -1.06 -4.92 118.68 122.46 1bwm s LEU 320 Ca 0.03 0.06 0.05 0.00 0.02 0.00 0.00 54.13 54.28 1bwm s LEU 320 Cb -0.13 -2.63 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 1bwm s LEU 320 CO -0.05 0.15 -0.14 0.20 0.02 0.00 0.00 176.35 176.52 1bwm s ASN 321 N -2.59 1.70 0.02 2.29 0.01 -1.26 -1.98 114.94 113.14 1bwm s ASN 321 Ca 0.31 -0.36 -0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1bwm s ASN 321 Cb -0.12 -0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.37 1bwm s ASN 321 CO 0.24 0.11 -0.02 0.00 -1.51 0.00 0.00 177.10 175.92 1bwm s SER 323 N -1.56 2.92 0.12 0.00 0.15 -0.50 -1.75 113.70 113.08 1bwm s SER 323 Ca -0.14 -1.73 -0.24 0.00 0.70 0.00 0.00 55.95 54.53 1bwm s SER 323 Cb -0.09 0.60 0.07 0.00 -1.71 0.00 0.00 66.02 64.90 1bwm s SER 323 CO -0.02 -0.99 0.64 -0.72 1.20 0.00 0.00 173.24 173.36 1bwm s TYR 324 N -3.17 -0.53 0.00 3.44 -0.85 -1.22 -2.67 117.35 112.36 1bwm s TYR 324 Ca 0.22 0.40 0.19 0.00 -0.52 0.00 0.00 57.07 57.36 1bwm s TYR 324 Cb 0.01 0.54 0.32 0.00 0.38 0.00 0.00 41.96 43.21 1bwm s TYR 324 CO 0.15 -0.80 1.12 0.39 -1.52 0.00 0.00 175.55 174.89 1bwm n GLU 325 N -0.23 0.00 -2.72 -3.49 1.02 -1.25 -4.95 120.64 109.02 1bwm n GLU 325 Ca -0.16 -1.72 -0.30 0.00 -0.02 0.00 0.00 57.16 54.96 1bwm n GLU 325 Cb 0.64 -0.06 -0.02 0.00 -0.02 0.00 0.00 31.44 31.98 1bwm n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1bwm s ASP 326 N -1.72 6.44 -0.33 1.62 2.15 -1.26 -4.98 116.67 118.59 1bwm s ASP 326 Ca 0.25 1.11 0.09 0.00 0.43 0.00 0.00 52.55 54.44 1bwm s ASP 326 Cb 0.29 -2.32 0.64 0.00 -0.30 0.00 0.00 42.92 41.23 1bwm s ASP 326 CO -0.13 -0.48 1.70 -1.20 -0.17 0.00 0.00 175.17 174.89 1bwm n SER 327 N -1.64 3.85 -0.84 -0.34 7.64 -1.26 -4.47 113.62 116.56 1bwm n SER 327 Ca 0.02 -3.43 -0.02 0.00 1.01 0.00 0.00 58.87 56.45 1bwm n SER 327 Cb 0.54 -0.72 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1bwm n THR 328 N -0.70 0.00 -2.39 0.44 5.66 -1.26 -5.14 114.28 110.89 1bwm n THR 328 Ca 0.41 -0.05 -0.38 0.00 -3.05 0.00 0.00 64.05 60.98 1bwm n THR 328 Cb 1.31 0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 70.29 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 3.20 -0.18 1.09 -0.12 -1.26 -4.09 117.98 116.63 1bwm s PHE 329 Ca 0.00 1.60 -0.12 0.00 -0.05 0.00 0.00 56.93 58.37 1bwm s PHE 329 Cb 0.02 -3.30 -0.08 0.00 -0.63 0.00 0.00 43.02 39.04 1bwm s PHE 329 CO -0.01 -1.01 -0.27 -0.25 -0.05 0.00 0.00 175.22 173.63 1bwm n ASP 330 N 0.18 1.60 -3.21 1.98 8.00 -1.25 -4.86 116.55 118.98 1bwm n ASP 330 Ca 0.04 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.67 1bwm n ASP 330 Cb 0.47 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1bwm n ASP 330 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1bwm s TYR 331 N -2.51 0.93 -0.30 1.24 -0.85 -1.26 -4.63 117.35 109.97 1bwm s TYR 331 Ca -0.27 -1.22 -0.01 0.00 -0.52 0.00 0.00 57.07 55.05 1bwm s TYR 331 Cb 0.08 0.04 0.10 0.00 0.38 0.00 0.00 41.96 42.56 1bwm s TYR 331 CO 0.36 -1.19 0.10 -0.06 -1.52 0.00 0.00 175.55 173.24 1bwm s PHE 332 N -2.97 1.53 -0.58 -3.49 0.40 -1.26 -2.40 117.98 109.21 1bwm s PHE 332 Ca 0.28 -1.62 -0.26 0.00 -0.60 0.00 0.00 56.93 54.74 1bwm s PHE 332 Cb -0.01 -1.60 -0.06 0.00 0.51 0.00 0.00 43.02 41.85 1bwm s PHE 332 CO 0.19 -0.87 2.22 -1.25 0.70 0.00 0.00 175.22 176.22 1bwm s PRO 333 N 1.68 2.22 -0.93 0.24 0.05 -1.24 -3.13 135.00 133.89 1bwm s PRO 333 Ca 0.09 0.98 -0.26 0.00 0.05 0.00 0.00 61.00 61.87 1bwm s PRO 333 Cb -0.17 -4.58 -0.14 0.00 0.05 0.00 0.00 34.50 29.66 1bwm s PRO 333 CO -0.26 -3.25 2.20 -1.58 0.05 0.00 0.00 177.00 174.16 1bwm s TRP 334 N 11.47 1.36 0.61 0.56 0.52 -0.76 -4.11 118.94 128.58 1bwm s TRP 334 Ca 0.87 1.68 -0.10 0.00 0.02 0.00 0.00 56.10 58.57 1bwm s TRP 334 Cb -0.15 -3.57 0.14 0.00 -1.15 0.00 0.00 33.47 28.75 1bwm s TRP 334 CO 0.21 -1.33 0.70 0.66 0.02 0.00 0.00 176.95 177.21 1bwm n TYR 335 N 17.68 -3.80 -3.71 -1.98 4.01 -0.58 -2.65 117.16 126.13 1bwm n TYR 335 Ca 0.44 -0.62 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 1bwm n TYR 335 Cb 0.45 -0.60 -0.11 0.00 -0.31 0.00 0.00 39.34 38.76 1bwm n TYR 335 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1bwm s ARG 336 N -4.54 0.34 -0.16 -0.72 3.52 -0.37 -1.77 118.95 115.24 1bwm s ARG 336 Ca 0.41 0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 56.68 1bwm s ARG 336 Cb -0.02 -0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 1bwm s ARG 336 CO 0.30 -0.15 -0.11 -1.14 -0.81 0.00 0.00 175.30 173.39 1bwm s GLN 337 N 1.21 3.33 0.44 5.12 0.74 0.01 -0.98 119.66 129.52 1bwm s GLN 337 Ca -0.08 -0.69 -0.11 0.00 0.05 0.00 0.00 55.36 54.53 1bwm s GLN 337 Cb -0.08 -2.74 -0.06 0.00 1.10 0.00 0.00 33.01 31.22 1bwm s GLN 337 CO -0.10 0.03 0.82 -0.06 -0.55 0.00 0.00 175.29 175.43 1bwm s PHE 338 N 0.83 3.48 0.47 1.67 0.40 -1.26 -1.06 117.98 122.50 1bwm s PHE 338 Ca -0.04 1.12 0.15 0.00 -0.60 0.00 0.00 56.93 57.57 1bwm s PHE 338 Cb -0.15 -2.51 1.10 0.00 0.51 0.00 0.00 43.02 41.97 1bwm s PHE 338 CO 0.00 -0.18 2.05 -1.00 0.70 0.00 0.00 175.22 176.79 1bwm h PRO 339 N 1.09 0.00 0.00 0.24 0.14 -1.94 -3.38 132.00 128.16 1bwm h PRO 339 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 1bwm h PRO 339 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.33 1bwm h PRO 339 CO 0.63 0.12 0.00 0.41 0.14 0.00 0.00 178.00 179.30 1bwm n GLY 340 N -1.19 1.58 2.68 1.56 0.00 -1.26 -5.01 105.19 103.55 1bwm n GLY 340 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.79 -3.19 1.61 4.01 -1.26 -5.03 118.16 115.08 1bwm n LYS 341 Ca 0.00 -1.37 -0.19 0.00 -0.51 0.00 0.00 58.31 56.25 1bwm n LYS 341 Cb 0.00 -0.03 -0.03 0.00 -0.51 0.00 0.00 35.03 34.45 1bwm n LYS 341 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1bwm n SER 342 N -0.56 0.76 -4.46 4.39 7.64 -1.26 -4.83 113.62 115.31 1bwm n SER 342 Ca -0.13 -2.98 -0.28 0.00 1.01 0.00 0.00 58.87 56.49 1bwm n SER 342 Cb 0.77 -0.62 0.26 0.00 -1.01 0.00 0.00 64.21 63.60 1bwm n SER 342 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bwm s PRO 343 N -2.31 -1.07 -0.16 1.43 0.05 -1.26 -4.47 135.00 127.21 1bwm s PRO 343 Ca 0.39 0.75 -0.30 0.00 0.05 0.00 0.00 61.00 61.89 1bwm s PRO 343 Cb 0.33 -1.54 0.13 0.00 0.05 0.00 0.00 34.50 33.47 1bwm s PRO 343 CO -0.08 -3.80 1.02 0.00 0.05 0.00 0.00 177.00 174.19 1bwm s ALA 344 N -2.48 -1.94 0.35 8.56 0.00 -0.15 -4.75 121.76 121.35 1bwm s ALA 344 Ca 0.68 1.57 -0.23 0.00 0.00 0.00 0.00 51.96 53.98 1bwm s ALA 344 Cb -0.24 -0.67 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 1bwm s ALA 344 CO 0.64 -0.34 0.92 -1.17 0.00 0.00 0.00 175.76 175.82 1bwm s LEU 345 N -1.23 4.19 -0.02 0.00 2.96 -1.26 -1.23 118.68 122.09 1bwm s LEU 345 Ca -0.00 1.74 -0.03 0.00 -0.22 0.00 0.00 54.13 55.61 1bwm s LEU 345 Cb -0.01 -4.17 -0.01 0.00 0.50 0.00 0.00 46.19 42.51 1bwm s LEU 345 CO 0.00 -0.17 -0.06 0.18 -1.32 0.00 0.00 176.35 174.98 1bwm n LEU 346 N 0.12 0.52 0.00 -0.68 4.77 -1.09 -4.90 117.00 115.75 1bwm n LEU 346 Ca 0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1bwm n LEU 346 Cb 0.52 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1bwm n LEU 346 CO 0.42 -0.50 0.00 2.30 -1.33 0.00 0.00 177.39 178.28 1bwm n ILE 347 N -3.00 0.00 -3.66 -0.08 -0.00 -1.23 -5.02 119.36 106.37 1bwm n ILE 347 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.67 1bwm n ILE 347 Cb 0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 39.66 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 -1.45 -1.56 0.51 -1.28 0.00 -1.26 -1.83 121.76 114.89 1bwm s ALA 348 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1bwm s ALA 348 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1bwm s ALA 348 CO 0.00 -0.81 0.00 0.44 0.00 0.00 0.00 175.76 175.39 1bwm n ILE 349 N 5.36 0.00 -0.38 0.00 -5.35 -1.18 -4.90 119.36 112.91 1bwm n ILE 349 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1bwm n ILE 349 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1bwm n ILE 349 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1bwm n SER 350 N 0.00 0.00 -3.48 7.28 2.88 -1.26 -4.05 113.62 114.99 1bwm n SER 350 Ca 0.00 -0.06 -0.20 0.00 -1.33 0.00 0.00 58.87 57.29 1bwm n SER 350 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 -4.14 -0.06 2.46 7.94 -1.26 -4.79 117.00 117.15 1bwm n LEU 351 Ca 0.00 -0.77 0.01 0.00 -1.11 0.00 0.00 56.01 54.14 1bwm n LEU 351 Cb 0.01 -2.92 0.02 0.00 0.53 0.00 0.00 43.42 41.06 1bwm n LEU 351 CO 0.00 0.31 0.38 0.55 -1.11 0.00 0.00 177.39 177.52 1bwm n VAL 352 N -3.88 0.59 -3.78 1.96 3.14 -1.26 -5.07 118.33 110.04 1bwm n VAL 352 Ca -0.19 -0.63 -0.12 0.00 -2.96 0.00 0.00 64.34 60.44 1bwm n VAL 352 Cb 0.64 0.62 -0.08 0.00 -1.06 0.00 0.00 33.84 33.96 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1bwm s SER 353 N -0.81 -0.14 0.58 6.55 0.01 -1.26 -5.02 113.70 113.61 1bwm s SER 353 Ca 0.03 -0.04 0.29 0.00 1.31 0.00 0.00 55.95 57.54 1bwm s SER 353 Cb 0.03 0.31 1.77 0.00 0.21 0.00 0.00 66.02 68.34 1bwm s SER 353 CO 0.00 -0.49 2.23 -1.13 0.41 0.00 0.00 173.24 174.26 1bwm h ASN 354 N 3.71 0.00 -4.97 2.44 -0.73 -1.94 -3.37 115.58 110.72 1bwm h ASN 354 Ca -0.30 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 57.83 1bwm h ASN 354 Cb 1.18 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.61 1bwm h ASN 354 CO 0.42 0.02 0.21 -1.59 -0.37 0.00 0.00 177.43 176.12 1bwm s LYS 355 N -4.57 1.13 -0.26 6.67 -2.85 -1.26 -1.94 119.74 116.66 1bwm s LYS 355 Ca -0.05 -0.02 -0.18 0.00 -1.00 0.00 0.00 55.97 54.72 1bwm s LYS 355 Cb 0.15 0.53 0.07 0.00 -2.06 0.00 0.00 37.83 36.52 1bwm s LYS 355 CO 0.55 -0.41 0.65 0.21 0.10 0.00 0.00 175.35 176.45 1bwm s LYS 356 N -2.17 0.70 -0.16 1.78 2.20 -0.19 -4.97 119.74 116.93 1bwm s LYS 356 Ca -0.06 1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1bwm s LYS 356 Cb -0.00 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1bwm s LYS 356 CO 0.01 -0.13 -0.08 -2.00 -0.36 0.00 0.00 175.35 172.79 1bwm s GLU 357 N 1.11 3.46 -0.53 4.03 -6.30 -1.26 0.05 118.70 119.27 1bwm s GLU 357 Ca -0.06 -0.62 0.07 0.00 -2.50 0.00 0.00 54.97 51.86 1bwm s GLU 357 Cb -0.05 -2.82 0.30 0.00 0.00 0.00 0.00 34.13 31.56 1bwm s GLU 357 CO -0.11 0.11 0.78 -3.47 0.02 0.00 0.00 175.26 172.58 1bwm n ASP 358 N 3.89 2.88 0.00 -1.70 2.03 -1.08 -4.99 116.55 117.57 1bwm n ASP 358 Ca -0.18 -3.32 0.00 0.00 0.52 0.00 0.00 54.79 51.81 1bwm n ASP 358 Cb 0.52 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwm n GLY 359 N 0.46 1.24 0.00 0.27 0.00 -1.26 -4.73 105.19 101.18 1bwm n GLY 359 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1bwm n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm n ARG 361 N 0.00 -0.50 -4.35 1.61 1.74 -1.26 -5.06 116.66 108.84 1bwm n ARG 361 Ca 0.00 -0.42 -0.20 0.00 -0.77 0.00 0.00 57.85 56.46 1bwm n ARG 361 Cb 0.00 -0.85 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1bwm s PHE 362 N -0.05 1.80 -0.25 -1.55 -0.12 -1.26 -4.61 117.98 111.94 1bwm s PHE 362 Ca 0.00 -0.51 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1bwm s PHE 362 Cb 0.00 -0.85 0.06 0.00 -0.63 0.00 0.00 43.02 41.60 1bwm s PHE 362 CO 0.00 0.38 -0.05 -0.08 -0.05 0.00 0.00 175.22 175.41 1bwm s THR 363 N -2.57 1.66 0.20 -4.49 -1.32 -1.09 -2.64 115.64 105.38 1bwm s THR 363 Ca 0.20 -1.35 -0.30 0.00 -1.21 0.00 0.00 61.69 59.03 1bwm s THR 363 Cb -0.03 -1.92 -0.08 0.00 -1.51 0.00 0.00 72.50 68.96 1bwm s THR 363 CO 0.07 -0.13 1.11 -0.63 -2.21 0.00 0.00 174.62 172.84 1bwm s ILE 364 N 1.33 3.76 0.36 5.08 1.09 0.11 -2.68 121.20 130.24 1bwm s ILE 364 Ca -0.05 1.55 0.08 0.00 -1.10 0.00 0.00 60.65 61.13 1bwm s ILE 364 Cb -0.19 -3.99 -0.03 0.00 -1.06 0.00 0.00 42.46 37.19 1bwm s ILE 364 CO -0.07 0.28 0.24 -0.36 -0.10 0.00 0.00 174.94 174.94 1bwm s PHE 365 N -0.37 2.77 -0.21 3.97 0.40 0.12 -1.02 117.98 123.63 1bwm s PHE 365 Ca 0.49 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 1bwm s PHE 365 Cb -0.30 -1.83 0.05 0.00 0.51 0.00 0.00 43.02 41.45 1bwm s PHE 365 CO 0.36 0.18 -0.11 0.12 0.70 0.00 0.00 175.22 176.48 1bwm s PHE 366 N -2.41 2.60 -0.83 0.36 5.36 -0.82 -2.62 117.98 119.63 1bwm s PHE 366 Ca 0.41 -1.75 -0.12 0.00 -0.96 0.00 0.00 56.93 54.51 1bwm s PHE 366 Cb -0.03 -1.71 0.22 0.00 -0.34 0.00 0.00 43.02 41.16 1bwm s PHE 366 CO 0.25 -0.78 0.76 1.21 -1.46 0.00 0.00 175.22 175.21 1bwm s ASN 367 N 1.33 6.63 0.17 6.13 3.84 -1.03 -4.87 114.94 127.13 1bwm s ASN 367 Ca -0.03 -2.82 -0.15 0.00 0.21 0.00 0.00 52.86 50.07 1bwm s ASN 367 Cb -0.17 -2.16 0.12 0.00 -0.55 0.00 0.00 41.25 38.48 1bwm s ASN 367 CO -0.08 -0.51 1.71 0.07 -2.79 0.00 0.00 177.10 175.49 1bwm h LYS 368 N 7.55 0.14 -0.07 0.43 2.10 -1.96 1.24 116.57 126.00 1bwm h LYS 368 Ca 0.10 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.77 1bwm h LYS 368 Cb 1.01 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1bwm h LYS 368 CO 0.77 0.09 0.15 0.00 -2.00 0.00 0.00 179.45 178.46 1bwm h ARG 369 N 0.14 0.00 0.00 0.07 3.08 -1.98 -1.62 114.38 114.07 1bwm h ARG 369 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1bwm h ARG 369 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1bwm h ARG 369 CO -0.31 0.00 -0.60 -1.91 -1.07 0.00 0.00 179.97 176.09 1bwm n GLU 370 N -3.40 3.31 -3.18 0.04 2.13 0.21 -4.99 120.64 114.75 1bwm n GLU 370 Ca -0.01 -0.01 -0.23 0.00 0.66 0.00 0.00 57.16 57.57 1bwm n GLU 370 Cb 0.23 -1.00 0.02 0.00 0.27 0.00 0.00 31.44 30.96 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bwm n LYS 371 N -1.31 -4.33 -4.11 5.31 4.81 0.40 -4.96 118.16 113.97 1bwm n LYS 371 Ca 0.01 0.72 -0.12 0.00 -0.87 0.00 0.00 58.31 58.06 1bwm n LYS 371 Cb 0.17 -5.52 -0.11 0.00 0.02 0.00 0.00 35.03 29.59 1bwm n LYS 371 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1bwm s LYS 372 N -5.85 0.66 -0.21 1.64 1.02 -1.20 -4.57 119.74 111.23 1bwm s LYS 372 Ca 0.35 -1.02 -0.08 0.00 0.02 0.00 0.00 55.97 55.24 1bwm s LYS 372 Cb -0.17 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 1bwm s LYS 372 CO 0.43 0.02 0.10 -0.51 -0.92 0.00 0.00 175.35 174.47 1bwm s LEU 373 N -2.24 3.88 -0.22 3.17 1.02 -0.72 -2.47 118.68 121.09 1bwm s LEU 373 Ca -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 54.13 54.20 1bwm s LEU 373 Cb -0.03 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 44.19 1bwm s LEU 373 CO -0.02 0.11 -0.11 -0.94 0.02 0.00 0.00 176.35 175.41 1bwm s SER 374 N 0.74 3.92 0.02 2.29 1.04 -1.08 -2.17 113.70 118.47 1bwm s SER 374 Ca 0.05 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 55.66 1bwm s SER 374 Cb -0.13 -1.60 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 1bwm s SER 374 CO 0.02 -0.07 0.26 -0.22 0.98 0.00 0.00 173.24 174.20 1bwm s LEU 375 N 1.32 4.36 0.11 2.42 0.20 -0.84 0.11 118.68 126.37 1bwm s LEU 375 Ca 0.02 0.51 0.09 0.00 0.69 0.00 0.00 54.13 55.44 1bwm s LEU 375 Cb -0.15 -2.72 -0.04 0.00 -0.43 0.00 0.00 46.19 42.85 1bwm s LEU 375 CO -0.07 0.24 -0.20 -1.00 -0.29 0.00 0.00 176.35 175.03 1bwm s HIS 376 N -1.34 2.50 -0.27 5.38 3.76 -1.09 -2.55 115.29 121.68 1bwm s HIS 376 Ca 0.29 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1bwm s HIS 376 Cb -0.13 -1.34 0.13 0.00 1.11 0.00 0.00 32.58 32.35 1bwm s HIS 376 CO 0.18 0.36 0.32 -1.50 -0.85 0.00 0.00 174.74 173.24 1bwm s ILE 377 N -1.10 -0.46 0.36 0.60 1.10 -0.98 -2.65 121.20 118.07 1bwm s ILE 377 Ca 0.17 -0.34 0.08 0.00 -0.51 0.00 0.00 60.65 60.06 1bwm s ILE 377 Cb -0.10 -0.91 -0.05 0.00 0.15 0.00 0.00 42.46 41.54 1bwm s ILE 377 CO 0.09 -0.34 0.08 0.28 -2.11 0.00 0.00 174.94 172.93 1bwm s THR 378 N 2.41 2.60 -1.60 4.00 -1.32 -1.26 -2.22 115.64 118.26 1bwm s THR 378 Ca 0.10 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 1bwm s THR 378 Cb -0.14 -2.90 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1bwm s THR 378 CO -0.27 -0.14 0.00 -0.67 -2.21 0.00 0.00 174.62 171.34 1bwm n ASP 379 N -1.07 -5.09 -4.08 8.08 2.03 -1.25 -4.96 116.55 110.21 1bwm n ASP 379 Ca -0.03 0.14 -0.29 0.00 0.52 0.00 0.00 54.79 55.12 1bwm n ASP 379 Cb 0.63 -4.32 0.19 0.00 -0.72 0.00 0.00 41.12 36.90 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1bwm s SER 380 N -2.14 3.05 0.22 1.67 0.15 -1.26 -4.99 113.70 110.40 1bwm s SER 380 Ca 0.00 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1bwm s SER 380 Cb 0.00 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1bwm s SER 380 CO 0.00 -2.76 0.00 0.00 1.20 0.00 0.00 173.24 171.68 1bwm n GLN 381 N -3.75 0.00 0.00 5.44 6.02 -1.26 -3.79 117.38 120.05 1bwm n GLN 381 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1bwm n GLN 381 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 1bwm n GLN 381 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1bwm n PRO 382 N -3.08 1.22 0.00 -1.09 -0.04 -1.26 -4.67 135.00 126.09 1bwm n PRO 382 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bwm n PRO 382 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bwm n PRO 382 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bwm n GLY 383 N 0.26 3.07 3.86 0.55 0.00 -1.26 -4.72 105.19 106.95 1bwm n GLY 383 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1bwm n GLY 383 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bwm n ASP 384 N 0.85 -1.77 -1.72 1.61 9.92 -1.26 -4.34 116.55 119.85 1bwm n ASP 384 Ca 0.00 -0.89 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 1bwm n ASP 384 Cb 0.00 -3.61 0.00 0.00 -0.64 0.00 0.00 41.12 36.87 1bwm n ASP 384 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1bwm n SER 385 N -2.96 -7.83 -3.57 -2.24 2.88 -1.26 -4.97 113.62 93.67 1bwm n SER 385 Ca -0.21 1.12 -0.09 0.00 -1.33 0.00 0.00 58.87 58.37 1bwm n SER 385 Cb 0.64 -4.24 -0.04 0.00 -0.75 0.00 0.00 64.21 59.81 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 -0.80 -1.94 0.07 -1.46 0.00 -0.97 -4.59 121.76 112.06 1bwm s ALA 386 Ca 0.00 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.50 1bwm s ALA 386 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1bwm s ALA 386 CO 0.00 -0.42 -0.05 0.95 0.00 0.00 0.00 175.76 176.24 1bwm s THR 387 N -1.69 3.71 -0.03 0.00 -4.23 -0.23 -2.60 115.64 110.58 1bwm s THR 387 Ca 0.02 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1bwm s THR 387 Cb -0.01 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1bwm s THR 387 CO -0.02 0.21 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.82 1bwm s TYR 388 N -1.18 2.71 0.19 3.99 1.51 -0.32 -0.81 117.35 123.43 1bwm s TYR 388 Ca 0.22 -0.15 0.10 0.00 -1.01 0.00 0.00 57.07 56.22 1bwm s TYR 388 Cb -0.11 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1bwm s TYR 388 CO 0.13 0.22 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.54 1bwm s PHE 389 N -0.79 2.01 -0.42 2.71 0.40 -0.73 -1.54 117.98 119.61 1bwm s PHE 389 Ca 0.13 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1bwm s PHE 389 Cb -0.11 -0.98 0.20 0.00 0.51 0.00 0.00 43.02 42.65 1bwm s PHE 389 CO 0.02 0.42 0.43 0.00 0.70 0.00 0.00 175.22 176.79 1bwm s ALA 391 N -0.56 1.46 -0.00 0.00 0.00 -1.26 -4.67 121.76 116.73 1bwm s ALA 391 Ca 0.34 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1bwm s ALA 391 Cb 0.09 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 1bwm s ALA 391 CO -0.16 -2.80 -0.08 0.00 0.00 0.00 0.00 175.76 172.72 1bwm s ALA 392 N -3.34 0.65 0.08 0.00 0.00 -0.36 -3.71 121.76 115.07 1bwm s ALA 392 Ca 0.69 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1bwm s ALA 392 Cb -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1bwm s ALA 392 CO 0.54 0.15 0.00 0.25 0.00 0.00 0.00 175.76 176.70 1bwm n THR 393 N 2.82 0.00 0.00 0.00 -2.24 -1.01 -0.61 114.28 113.24 1bwm n THR 393 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1bwm n THR 393 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1bwm n THR 393 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwm n GLY 399 N 5.00 0.69 3.64 3.38 0.00 -1.25 -3.81 105.19 112.84 1bwm n GLY 399 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1bwm n GLY 399 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 400 N 0.00 0.03 0.34 1.61 0.01 -1.26 -4.82 113.70 109.61 1bwm s SER 400 Ca 0.00 -0.98 -0.29 0.00 1.31 0.00 0.00 55.95 55.99 1bwm s SER 400 Cb 0.00 0.64 -0.11 0.00 0.21 0.00 0.00 66.02 66.77 1bwm s SER 400 CO 0.00 -1.25 1.49 0.72 0.41 0.00 0.00 173.24 174.61 1bwm s PHE 401 N -3.70 2.70 -1.27 2.43 -0.12 -1.26 -2.88 117.98 113.89 1bwm s PHE 401 Ca 0.21 1.09 -0.09 0.00 -0.05 0.00 0.00 56.93 58.09 1bwm s PHE 401 Cb -0.02 -3.99 -0.00 0.00 -0.63 0.00 0.00 43.02 38.38 1bwm s PHE 401 CO 0.11 -3.00 0.64 -1.71 -0.05 0.00 0.00 175.22 171.20 1bwm n ASN 402 N 1.02 -2.67 -3.31 1.98 5.15 -1.26 -4.97 115.26 111.20 1bwm n ASN 402 Ca 0.03 -0.97 -0.09 0.00 -0.60 0.00 0.00 54.58 52.94 1bwm n ASN 402 Cb 0.39 -3.40 -0.06 0.00 -0.53 0.00 0.00 39.78 36.18 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1bwm s LYS 403 N -6.18 0.42 -0.08 1.20 2.36 -1.14 -5.10 119.74 111.22 1bwm s LYS 403 Ca 0.21 0.08 -0.01 0.00 -2.55 0.00 0.00 55.97 53.70 1bwm s LYS 403 Cb -0.07 -0.33 0.03 0.00 -1.05 0.00 0.00 37.83 36.41 1bwm s LYS 403 CO 0.86 -1.04 -0.02 -0.51 1.55 0.00 0.00 175.35 176.19 1bwm s LEU 404 N 2.50 0.75 -0.35 5.43 1.02 -1.26 -3.84 118.68 122.92 1bwm s LEU 404 Ca 0.10 -0.14 -0.19 0.00 0.02 0.00 0.00 54.13 53.93 1bwm s LEU 404 Cb -0.12 -0.53 -0.00 0.00 0.02 0.00 0.00 46.19 45.55 1bwm s LEU 404 CO -0.30 -0.17 0.54 -0.89 0.02 0.00 0.00 176.35 175.55 1bwm s THR 405 N 1.87 4.99 0.15 5.49 2.01 0.22 -4.85 115.64 125.50 1bwm s THR 405 Ca 0.04 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.35 1bwm s THR 405 Cb -0.12 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 1bwm s THR 405 CO -0.06 -0.25 0.41 -0.36 -0.69 0.00 0.00 174.62 173.68 1bwm s PHE 406 N 2.46 3.48 0.53 4.92 0.40 -1.26 -1.22 117.98 127.29 1bwm s PHE 406 Ca 0.20 0.64 0.01 0.00 -0.60 0.00 0.00 56.93 57.18 1bwm s PHE 406 Cb -0.15 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1bwm s PHE 406 CO 0.14 0.42 0.07 0.41 0.70 0.00 0.00 175.22 176.95 1bwm n GLY 407 N 0.17 3.41 0.27 4.36 0.00 -1.26 -4.81 105.19 107.33 1bwm n GLY 407 Ca -0.03 -2.37 0.14 0.00 0.00 0.00 0.00 46.02 43.77 1bwm n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm h ALA 408 N 1.17 1.24 -2.84 4.61 0.00 -1.81 -3.35 119.26 118.28 1bwm h ALA 408 Ca -0.43 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 54.70 1bwm h ALA 408 Cb 1.32 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 1bwm h ALA 408 CO 0.70 0.11 -0.89 0.41 0.00 0.00 0.00 179.25 179.59 1bwm n GLY 409 N -0.69 -2.86 3.92 0.00 0.00 -1.26 -4.40 105.19 99.89 1bwm n GLY 409 Ca -0.02 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.51 3.98 0.22 2.61 2.01 -0.59 -4.92 115.64 115.44 1bwm s THR 410 Ca 0.00 -1.19 0.11 0.00 0.31 0.00 0.00 61.69 60.92 1bwm s THR 410 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1bwm s THR 410 CO 0.00 -0.20 -0.19 -0.60 -0.69 0.00 0.00 174.62 172.94 1bwm s ARG 411 N -4.05 1.70 -0.24 4.92 3.52 -1.26 -1.18 118.95 122.36 1bwm s ARG 411 Ca 0.41 -1.54 -0.26 0.00 -0.13 0.00 0.00 55.73 54.21 1bwm s ARG 411 Cb -0.08 -1.90 0.11 0.00 -1.56 0.00 0.00 34.95 31.52 1bwm s ARG 411 CO 0.28 0.39 0.94 -0.48 -0.81 0.00 0.00 175.30 175.62 1bwm s LEU 412 N -2.98 -0.51 0.11 -0.88 0.05 -1.07 -3.41 118.68 109.99 1bwm s LEU 412 Ca 0.24 0.88 0.04 0.00 0.05 0.00 0.00 54.13 55.35 1bwm s LEU 412 Cb -0.07 2.04 -0.04 0.00 -2.05 0.00 0.00 46.19 46.07 1bwm s LEU 412 CO 0.13 -0.24 -0.11 0.00 -0.55 0.00 0.00 176.35 175.58 1bwm s ALA 413 N -0.08 1.21 -0.65 1.48 0.00 -1.03 -2.30 121.76 120.38 1bwm s ALA 413 Ca 0.01 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.76 1bwm s ALA 413 Cb -0.04 0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.26 1bwm s ALA 413 CO -0.02 -0.02 0.43 0.08 0.00 0.00 0.00 175.76 176.23 1bwm s VAL 414 N -2.49 3.08 -0.03 0.00 1.01 -1.26 -1.27 120.40 119.44 1bwm s VAL 414 Ca 0.07 -3.70 -0.24 0.00 0.00 0.00 0.00 61.98 58.12 1bwm s VAL 414 Cb -0.03 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1bwm s VAL 414 CO 0.01 -0.92 0.51 -0.94 0.00 0.00 0.00 175.10 173.76 1bwm s SER 415 N -0.57 -0.45 0.57 3.32 1.04 -1.20 -4.64 113.70 111.76 1bwm s SER 415 Ca 0.21 0.43 0.32 0.00 0.48 0.00 0.00 55.95 57.39 1bwm s SER 415 Cb -0.15 0.44 1.73 0.00 0.10 0.00 0.00 66.02 68.13 1bwm s SER 415 CO -0.08 -0.54 2.17 1.55 0.98 0.00 0.00 173.24 177.31 1bwm h PRO 416 N 3.37 0.00 0.00 4.02 0.14 -1.95 -3.42 132.00 134.16 1bwm h PRO 416 Ca -0.28 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.86 1bwm h PRO 416 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.30 1bwm h PRO 416 CO 0.40 0.06 0.00 0.98 0.14 0.00 0.00 178.00 179.57