#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 2.69 -2.23 0.00 3.14 -1.26 -4.49 118.33 116.18 1bwm n VAL 4 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1bwm n VAL 4 Cb 0.00 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 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 -0.42 0.00 -3.66 1.55 -2.24 -1.09 -3.74 114.28 104.69 1bwm n THR 5 Ca 0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1bwm n THR 5 Cb 0.40 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 1bwm n THR 5 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bwm s GLN 6 N 1.48 1.05 -0.30 -0.78 2.00 -1.24 -2.68 119.66 119.20 1bwm s GLN 6 Ca 0.00 -0.74 -0.33 0.00 -2.00 0.00 0.00 55.36 52.29 1bwm s GLN 6 Cb 0.00 0.46 -0.10 0.00 0.80 0.00 0.00 33.01 34.17 1bwm s GLN 6 CO 0.00 -0.41 2.17 0.45 -0.50 0.00 0.00 175.29 177.01 1bwm n SER 7 N -0.21 2.52 -4.57 6.67 2.88 0.20 -4.78 113.62 116.32 1bwm n SER 7 Ca -0.16 0.40 -0.18 0.00 -1.33 0.00 0.00 58.87 57.61 1bwm n SER 7 Cb 0.64 -1.34 -0.09 0.00 -0.75 0.00 0.00 64.21 62.66 1bwm n SER 7 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1bwm s PRO 8 N 6.07 1.60 -0.33 -1.46 0.05 -1.26 -4.72 135.00 134.95 1bwm s PRO 8 Ca 1.06 -0.37 0.05 0.00 0.05 0.00 0.00 61.00 61.80 1bwm s PRO 8 Cb -0.71 -4.99 0.19 0.00 0.05 0.00 0.00 34.50 29.03 1bwm s PRO 8 CO 0.46 -4.86 0.65 0.50 0.05 0.00 0.00 177.00 173.80 1bwm s ARG 9 N 8.08 0.60 -1.31 4.56 6.06 -1.26 -5.04 118.95 130.64 1bwm s ARG 9 Ca 0.80 0.24 -0.07 0.00 -2.50 0.00 0.00 55.73 54.21 1bwm s ARG 9 Cb -0.06 0.18 0.04 0.00 0.06 0.00 0.00 34.95 35.17 1bwm s ARG 9 CO 0.14 -1.02 2.64 0.09 -2.50 0.00 0.00 175.30 174.64 1bwm n ASN 10 N 5.02 8.07 -4.96 -2.12 5.03 -1.26 -4.84 115.26 120.21 1bwm n ASN 10 Ca 0.07 -2.95 -0.19 0.00 0.87 0.00 0.00 54.58 52.38 1bwm n ASN 10 Cb 0.56 -1.41 -0.01 0.00 -1.02 0.00 0.00 39.78 37.89 1bwm n ASN 10 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1bwm s LYS 11 N -0.10 3.02 0.35 3.52 2.20 -1.26 -5.05 119.74 122.42 1bwm s LYS 11 Ca 0.60 -1.08 0.09 0.00 -0.36 0.00 0.00 55.97 55.22 1bwm s LYS 11 Cb 0.20 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.73 1bwm s LYS 11 CO -0.09 0.07 0.01 0.08 -0.36 0.00 0.00 175.35 175.06 1bwm s VAL 12 N -2.21 2.55 0.28 4.02 1.01 -1.26 -4.56 120.40 120.24 1bwm s VAL 12 Ca 0.44 -1.99 0.08 0.00 0.00 0.00 0.00 61.98 60.51 1bwm s VAL 12 Cb -0.09 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 1bwm s VAL 12 CO 0.30 -0.19 -0.09 0.00 0.00 0.00 0.00 175.10 175.13 1bwm s ALA 13 N -2.54 2.46 0.26 5.51 0.00 -0.96 -4.98 121.76 121.52 1bwm s ALA 13 Ca 0.35 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.43 1bwm s ALA 13 Cb 0.01 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1bwm s ALA 13 CO 0.19 0.00 0.22 1.33 0.00 0.00 0.00 175.76 177.51 1bwm n VAL 14 N -0.60 0.00 -1.46 0.00 0.24 -1.26 -2.86 118.33 112.39 1bwm n VAL 14 Ca -0.06 -1.02 -0.56 0.00 -2.04 0.00 0.00 64.34 60.67 1bwm n VAL 14 Cb 0.63 -0.36 -0.09 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.19 0.14 -3.56 3.34 -1.04 -1.05 -0.33 114.28 110.60 1bwm n THR 15 Ca 0.00 -0.12 -0.19 0.00 -2.04 0.00 0.00 64.05 61.70 1bwm n THR 15 Cb 0.30 -1.13 0.07 0.00 -1.82 0.00 0.00 70.33 67.74 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 6.20 -0.35 0.00 3.41 0.00 -0.97 -4.93 105.19 108.55 1bwm n GLY 16 Ca 0.42 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.37 1.02 3.60 -0.02 0.00 0.56 -4.73 105.19 104.25 1bwm n GLY 17 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 1bwm n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwm s LYS 18 N 0.05 0.27 -0.19 1.61 2.20 -1.26 -4.73 119.74 117.68 1bwm s LYS 18 Ca 0.00 -0.09 -0.05 0.00 -0.36 0.00 0.00 55.97 55.47 1bwm s LYS 18 Cb 0.00 0.12 0.07 0.00 -1.51 0.00 0.00 37.83 36.51 1bwm s LYS 18 CO 0.00 -0.12 0.11 0.08 -0.36 0.00 0.00 175.35 175.06 1bwm s VAL 19 N -2.32 -0.11 -0.31 4.02 1.01 -1.08 -4.67 120.40 116.95 1bwm s VAL 19 Ca 0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1bwm s VAL 19 Cb -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1bwm s VAL 19 CO -0.04 -0.35 0.21 -0.89 0.00 0.00 0.00 175.10 174.03 1bwm s THR 20 N 2.15 5.23 -0.07 3.92 2.01 -1.26 -2.39 115.64 125.24 1bwm s THR 20 Ca 0.04 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1bwm s THR 20 Cb -0.16 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1bwm s THR 20 CO -0.14 0.12 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.14 1bwm s LEU 21 N 1.73 0.82 -0.19 4.42 1.43 -1.00 -4.84 118.68 121.04 1bwm s LEU 21 Ca 0.06 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1bwm s LEU 21 Cb -0.17 -0.45 0.05 0.00 0.03 0.00 0.00 46.19 45.65 1bwm s LEU 21 CO 0.10 -0.15 -0.01 -0.44 0.23 0.00 0.00 176.35 176.08 1bwm s SER 22 N 1.67 3.03 -0.14 2.29 0.01 -1.26 -1.75 113.70 117.56 1bwm s SER 22 Ca 0.01 -0.83 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 1bwm s SER 22 Cb -0.13 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 1bwm s SER 22 CO -0.04 -0.26 0.04 0.00 0.41 0.00 0.00 173.24 173.39 1bwm s ASN 24 N -0.26 5.21 -0.20 0.00 2.47 -1.09 -2.66 114.94 118.40 1bwm s ASN 24 Ca 0.07 -0.76 -0.12 0.00 0.42 0.00 0.00 52.86 52.47 1bwm s ASN 24 Cb -0.12 0.06 0.06 0.00 -1.45 0.00 0.00 41.25 39.81 1bwm s ASN 24 CO 0.02 -1.18 0.50 -1.58 -3.72 0.00 0.00 177.10 171.13 1bwm s GLN 25 N -4.57 0.50 -0.33 0.43 0.74 -0.25 -2.65 119.66 113.53 1bwm s GLN 25 Ca 0.59 0.91 0.03 0.00 0.05 0.00 0.00 55.36 56.94 1bwm s GLN 25 Cb -0.07 0.04 0.17 0.00 1.10 0.00 0.00 33.01 34.26 1bwm s GLN 25 CO 0.37 -0.15 1.18 -2.37 -0.55 0.00 0.00 175.29 173.77 1bwm n THR 26 N 4.18 0.00 -1.61 -0.34 5.66 -1.26 -4.78 114.28 116.13 1bwm n THR 26 Ca -0.22 -0.73 0.06 0.00 -3.05 0.00 0.00 64.05 60.11 1bwm n THR 26 Cb 0.56 0.78 0.14 0.00 -1.55 0.00 0.00 70.33 70.26 1bwm n THR 26 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1bwm n ASN 27 N -0.20 1.64 -2.85 1.09 4.05 -1.26 -4.17 115.26 113.55 1bwm n ASN 27 Ca -0.19 -3.21 -0.18 0.00 0.45 0.00 0.00 54.58 51.45 1bwm n ASN 27 Cb 0.69 -0.44 0.06 0.00 1.23 0.00 0.00 39.78 41.33 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bwm n ASN 28 N -0.88 -5.35 -4.28 1.20 2.85 -1.26 -5.00 115.26 102.53 1bwm n ASN 28 Ca 0.14 -0.41 -0.34 0.00 -0.11 0.00 0.00 54.58 53.86 1bwm n ASN 28 Cb 0.74 -3.95 -0.14 0.00 1.24 0.00 0.00 39.78 37.66 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 -3.24 2.89 -1.95 1.20 3.76 -1.26 -4.94 115.29 111.74 1bwm s HIS 29 Ca 0.45 -1.02 0.06 0.00 -0.15 0.00 0.00 55.06 54.40 1bwm s HIS 29 Cb -0.20 -2.01 0.19 0.00 1.11 0.00 0.00 32.58 31.67 1bwm s HIS 29 CO 0.55 -0.53 1.14 -1.71 -0.85 0.00 0.00 174.74 173.35 1bwm n ASN 30 N 4.48 1.17 -3.69 1.40 5.15 -1.26 -4.77 115.26 117.74 1bwm n ASN 30 Ca -0.19 -2.01 -0.11 0.00 -0.60 0.00 0.00 54.58 51.68 1bwm n ASN 30 Cb 0.51 -0.16 -0.11 0.00 -0.53 0.00 0.00 39.78 39.49 1bwm n ASN 30 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bwm s ASN 31 N -0.97 -0.42 -0.12 1.20 3.84 -1.26 -4.55 114.94 112.67 1bwm s ASN 31 Ca 0.14 0.85 0.03 0.00 0.21 0.00 0.00 52.86 54.09 1bwm s ASN 31 Cb 0.07 0.80 0.01 0.00 -0.55 0.00 0.00 41.25 41.58 1bwm s ASN 31 CO 0.09 -0.20 -0.20 -0.32 -2.79 0.00 0.00 177.10 173.68 1bwm s MET 32 N 1.58 2.77 0.45 0.43 1.75 -0.41 -3.27 119.30 122.61 1bwm s MET 32 Ca -0.08 -0.77 0.07 0.00 -1.25 0.00 0.00 55.69 53.66 1bwm s MET 32 Cb -0.09 -2.21 0.02 0.00 2.84 0.00 0.00 34.83 35.39 1bwm s MET 32 CO -0.12 0.04 0.62 0.71 -0.65 0.00 0.00 175.02 175.61 1bwm s TYR 33 N 0.70 2.71 -0.07 4.11 2.02 0.17 -2.27 117.35 124.72 1bwm s TYR 33 Ca -0.11 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1bwm s TYR 33 Cb -0.16 -2.43 0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1bwm s TYR 33 CO 0.02 -0.55 0.13 -0.46 -1.57 0.00 0.00 175.55 173.12 1bwm s TRP 34 N -2.44 -0.12 0.40 2.71 -0.00 -0.17 -2.27 118.94 117.05 1bwm s TRP 34 Ca 0.56 0.47 0.03 0.00 -0.00 0.00 0.00 56.10 57.17 1bwm s TRP 34 Cb -0.10 -0.24 -0.04 0.00 -0.00 0.00 0.00 33.47 33.10 1bwm s TRP 34 CO 0.34 -0.21 0.08 0.71 -0.00 0.00 0.00 176.95 177.87 1bwm s TYR 35 N 1.81 1.89 -0.18 5.86 1.51 -1.07 -2.66 117.35 124.51 1bwm s TYR 35 Ca -0.02 -1.10 -0.16 0.00 -1.01 0.00 0.00 57.07 54.78 1bwm s TYR 35 Cb -0.12 -1.30 0.05 0.00 -0.11 0.00 0.00 41.96 40.48 1bwm s TYR 35 CO -0.05 -0.08 0.48 0.50 -1.11 0.00 0.00 175.55 175.29 1bwm s ARG 36 N -3.79 0.56 -0.32 -0.62 3.52 -0.55 -2.62 118.95 115.12 1bwm s ARG 36 Ca 0.25 0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 56.38 1bwm s ARG 36 Cb 0.05 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 1bwm s ARG 36 CO 0.13 -0.07 0.43 -1.14 -0.81 0.00 0.00 175.30 173.84 1bwm s GLN 37 N 0.33 3.72 -0.06 5.12 0.74 -1.06 -1.30 119.66 127.15 1bwm s GLN 37 Ca -0.01 -0.17 -0.08 0.00 0.05 0.00 0.00 55.36 55.16 1bwm s GLN 37 Cb -0.04 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.29 1bwm s GLN 37 CO -0.00 -0.50 -0.15 -3.47 -0.55 0.00 0.00 175.29 170.62 1bwm n ASP 38 N 5.51 1.01 -3.29 6.67 -0.08 -1.11 -3.34 116.55 121.93 1bwm n ASP 38 Ca -0.07 0.16 -0.22 0.00 -1.51 0.00 0.00 54.79 53.16 1bwm n ASP 38 Cb 0.50 -0.53 0.17 0.00 2.34 0.00 0.00 41.12 43.60 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1bwm n THR 39 N -3.50 0.00 -0.27 5.18 -1.04 -1.23 -4.89 114.28 108.53 1bwm n THR 39 Ca -0.06 -0.43 0.07 0.00 -2.04 0.00 0.00 64.05 61.60 1bwm n THR 39 Cb 0.23 -1.28 0.31 0.00 -1.82 0.00 0.00 70.33 67.78 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 -1.91 1.21 -0.97 3.41 0.00 -2.02 -3.31 103.07 99.48 1bwm h GLY 40 Ca -0.30 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1bwm h GLY 40 CO 0.20 0.20 -0.29 -2.39 0.00 0.00 0.00 176.54 174.26 1bwm n HIS 41 N -4.52 0.00 -3.34 5.60 1.44 -1.26 -5.07 115.22 108.06 1bwm n HIS 41 Ca 0.15 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.46 1bwm n HIS 41 Cb 0.31 0.07 -0.09 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.58 1.87 1.05 -1.39 0.00 -1.25 -3.49 107.32 103.52 1bwm s GLY 42 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 44.72 43.67 1bwm s GLY 42 CO 0.00 1.07 1.11 1.04 0.00 0.00 0.00 173.10 176.32 1bwm n LEU 43 N 5.44 0.00 -3.15 0.66 4.77 -1.26 -2.75 117.00 120.70 1bwm n LEU 43 Ca -0.07 -1.20 0.05 0.00 -0.03 0.00 0.00 56.01 54.76 1bwm n LEU 43 Cb 0.50 -0.94 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1bwm n LEU 43 CO 0.39 -1.79 0.44 -0.60 -1.33 0.00 0.00 177.39 174.50 1bwm s ARG 44 N -5.48 0.23 0.49 3.23 3.00 -0.42 -4.73 118.95 115.26 1bwm s ARG 44 Ca 0.68 0.24 -0.22 0.00 -1.00 0.00 0.00 55.73 55.43 1bwm s ARG 44 Cb -0.05 0.11 -0.07 0.00 0.00 0.00 0.00 34.95 34.95 1bwm s ARG 44 CO 0.50 -0.42 1.18 -1.17 0.00 0.00 0.00 175.30 175.39 1bwm s LEU 45 N 2.93 3.93 0.00 -0.88 2.96 -1.26 -1.48 118.68 124.88 1bwm s LEU 45 Ca 0.23 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1bwm s LEU 45 Cb -0.04 -4.32 0.00 0.00 0.50 0.00 0.00 46.19 42.33 1bwm s LEU 45 CO -0.23 -1.07 0.00 2.30 -1.32 0.00 0.00 176.35 176.03 1bwm n ILE 46 N -0.73 0.00 -4.09 6.68 -0.00 -1.09 -2.53 119.36 117.60 1bwm n ILE 46 Ca 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.74 1bwm n ILE 46 Cb 0.48 -0.08 -0.10 0.00 -0.00 0.00 0.00 39.64 39.94 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 -1.09 0.63 -0.30 4.28 5.04 -1.23 0.15 115.29 122.77 1bwm s HIS 47 Ca 0.00 -0.80 -0.08 0.00 -1.54 0.00 0.00 55.06 52.64 1bwm s HIS 47 Cb 0.00 -0.40 0.19 0.00 0.04 0.00 0.00 32.58 32.41 1bwm s HIS 47 CO 0.00 -0.21 0.95 1.52 -2.34 0.00 0.00 174.74 174.66 1bwm s TYR 48 N -2.84 -0.78 0.38 3.88 1.13 -1.26 -1.00 117.35 116.85 1bwm s TYR 48 Ca 0.01 0.54 0.06 0.00 -1.41 0.00 0.00 57.07 56.27 1bwm s TYR 48 Cb 0.00 0.17 -0.07 0.00 -1.10 0.00 0.00 41.96 40.95 1bwm s TYR 48 CO -0.04 -0.45 0.03 0.45 -2.51 0.00 0.00 175.55 173.03 1bwm s SER 49 N 2.93 3.28 0.00 -0.18 0.15 -0.96 -4.75 113.70 114.16 1bwm s SER 49 Ca 0.18 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1bwm s SER 49 Cb -0.06 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1bwm s SER 49 CO -0.21 -0.52 0.00 0.00 1.20 0.00 0.00 173.24 173.72 1bwm n TYR 50 N -0.86 0.00 -2.80 3.44 4.11 -1.26 -1.28 117.16 118.51 1bwm n TYR 50 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.72 1bwm n TYR 50 Cb 0.67 0.00 0.06 0.00 -0.00 0.00 0.00 39.34 40.07 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1bwm n GLY 51 N 1.42 1.42 3.82 -7.48 0.00 -1.26 -4.52 105.19 98.58 1bwm n GLY 51 Ca 0.00 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.70 3.54 -1.08 4.61 0.00 -1.26 -4.15 121.76 120.72 1bwm s ALA 52 Ca 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 1bwm s ALA 52 Cb -0.03 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 1bwm s ALA 52 CO 0.27 0.39 0.91 0.41 0.00 0.00 0.00 175.76 177.73 1bwm n GLY 53 N 1.32 -0.35 2.60 0.00 0.00 0.13 -4.88 105.19 104.00 1bwm n GLY 53 Ca -0.07 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1bwm n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwm s SER 54 N -4.16 2.78 0.35 1.61 0.15 -1.26 -5.04 113.70 108.13 1bwm s SER 54 Ca 0.04 -0.89 0.08 0.00 0.70 0.00 0.00 55.95 55.88 1bwm s SER 54 Cb -0.01 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1bwm s SER 54 CO 0.67 -0.39 0.20 0.42 1.20 0.00 0.00 173.24 175.33 1bwm s THR 55 N 2.15 3.07 -0.12 6.45 -4.23 -1.26 -4.65 115.64 117.05 1bwm s THR 55 Ca 0.06 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.67 1bwm s THR 55 Cb -0.16 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 70.77 1bwm s THR 55 CO -0.23 -0.15 1.01 -1.83 -0.54 0.00 0.00 174.62 172.88 1bwm s GLU 56 N -3.91 0.60 -0.27 3.99 1.03 -1.26 -5.06 118.70 113.83 1bwm s GLU 56 Ca 0.39 -0.06 -0.25 0.00 0.03 0.00 0.00 54.97 55.09 1bwm s GLU 56 Cb -0.03 0.28 -0.00 0.00 -0.80 0.00 0.00 34.13 33.58 1bwm s GLU 56 CO 0.24 -0.23 0.85 0.15 -1.33 0.00 0.00 175.26 174.94 1bwm s LYS 57 N -2.02 4.12 0.00 -4.83 -0.14 -1.26 -4.46 119.74 111.15 1bwm s LYS 57 Ca 0.03 0.87 0.00 0.00 -1.36 0.00 0.00 55.97 55.51 1bwm s LYS 57 Cb -0.01 -3.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 1bwm s LYS 57 CO -0.04 -0.60 0.19 0.41 -0.76 0.00 0.00 175.35 174.56 1bwm n GLY 58 N 3.87 -0.78 0.91 -3.33 0.00 0.39 -4.92 105.19 101.33 1bwm n GLY 58 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.34 1.17 -2.69 1.61 2.03 -1.05 -4.86 116.55 112.43 1bwm n ASP 59 Ca 0.00 0.16 -0.07 0.00 0.52 0.00 0.00 54.79 55.40 1bwm n ASP 59 Cb 0.00 -0.38 0.06 0.00 -0.72 0.00 0.00 41.12 40.08 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 -3.58 0.72 -1.75 5.18 -6.64 -1.26 -5.08 119.36 106.95 1bwm n ILE 60 Ca -0.02 -2.56 -0.42 0.00 -1.77 0.00 0.00 62.75 57.99 1bwm n ILE 60 Cb 0.07 0.83 -0.01 0.00 -1.44 0.00 0.00 39.64 39.09 1bwm n ILE 60 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1bwm n PRO 61 N -0.31 2.71 -3.64 6.28 -0.04 -1.26 -4.99 135.00 133.74 1bwm n PRO 61 Ca 0.05 0.96 -0.04 0.00 -0.04 0.00 0.00 63.50 64.42 1bwm n PRO 61 Cb 0.83 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.48 1bwm n PRO 61 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1bwm s ASP 62 N 0.37 -0.35 0.00 3.54 2.15 -1.26 -4.99 116.67 116.13 1bwm s ASP 62 Ca 0.62 0.62 0.00 0.00 0.43 0.00 0.00 52.55 54.21 1bwm s ASP 62 Cb -0.49 0.86 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1bwm s ASP 62 CO 0.52 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 176.02 1bwm n GLY 63 N 2.69 0.93 3.59 2.66 0.00 -1.26 -5.06 105.19 108.74 1bwm n GLY 63 Ca -0.15 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.91 -0.02 -0.08 1.61 1.13 -1.26 -4.36 117.35 111.46 1bwm s TYR 65 Ca 0.00 -0.34 0.01 0.00 -1.41 0.00 0.00 57.07 55.33 1bwm s TYR 65 Cb 0.00 0.40 0.02 0.00 -1.10 0.00 0.00 41.96 41.27 1bwm s TYR 65 CO 0.00 -0.98 -0.10 0.21 -2.51 0.00 0.00 175.55 172.17 1bwm s LYS 66 N -3.91 1.52 0.17 -3.49 2.20 0.67 -4.97 119.74 111.93 1bwm s LYS 66 Ca 0.12 -0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.47 1bwm s LYS 66 Cb -0.02 -1.39 -0.05 0.00 -1.51 0.00 0.00 37.83 34.87 1bwm s LYS 66 CO 0.01 -0.09 -0.11 0.00 -0.36 0.00 0.00 175.35 174.81 1bwm s ALA 67 N 1.06 1.67 -0.19 3.13 0.00 -1.26 -0.32 121.76 125.85 1bwm s ALA 67 Ca -0.07 -1.57 -0.23 0.00 0.00 0.00 0.00 51.96 50.08 1bwm s ALA 67 Cb -0.14 0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.07 1bwm s ALA 67 CO -0.01 -0.05 0.62 -1.12 0.00 0.00 0.00 175.76 175.20 1bwm s SER 68 N -3.23 -0.63 -0.60 0.00 0.01 -0.73 -4.98 113.70 103.54 1bwm s SER 68 Ca 0.20 1.10 0.06 0.00 1.31 0.00 0.00 55.95 58.62 1bwm s SER 68 Cb 0.02 1.09 0.22 0.00 0.21 0.00 0.00 66.02 67.56 1bwm s SER 68 CO 0.03 -0.31 0.61 -1.14 0.41 0.00 0.00 173.24 172.85 1bwm n ARG 69 N 2.31 1.85 -0.32 12.44 3.00 -1.26 -2.75 116.66 131.93 1bwm n ARG 69 Ca -0.15 -4.26 -0.01 0.00 -0.00 0.00 0.00 57.85 53.43 1bwm n ARG 69 Cb 0.56 -2.04 0.11 0.00 0.00 0.00 0.00 32.46 31.09 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 4.57 1.07 -6.31 -0.14 0.13 -1.98 0.40 132.00 129.74 1bwm h PRO 70 Ca 0.17 -0.06 -0.59 0.00 -0.87 0.00 0.00 66.00 64.65 1bwm h PRO 70 Cb 0.74 -0.24 -0.20 0.00 0.13 0.00 0.00 31.00 31.43 1bwm h PRO 70 CO 0.70 0.70 -0.82 -1.54 -0.23 0.00 0.00 178.00 176.82 1bwm s SER 71 N -5.90 2.91 0.53 1.44 1.04 -1.22 -4.33 113.70 108.16 1bwm s SER 71 Ca -0.13 -0.79 0.30 0.00 0.48 0.00 0.00 55.95 55.82 1bwm s SER 71 Cb 0.17 -0.18 1.40 0.00 0.10 0.00 0.00 66.02 67.51 1bwm s SER 71 CO 0.80 0.06 2.02 -0.61 0.98 0.00 0.00 173.24 176.49 1bwm h GLN 72 N 3.59 0.00 0.00 4.02 4.15 -1.83 -2.94 115.11 122.10 1bwm h GLN 72 Ca -0.46 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.85 1bwm h GLN 72 Cb 1.19 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1bwm h GLN 72 CO 0.45 0.10 -1.98 0.39 -1.93 0.00 0.00 178.83 175.86 1bwm n GLU 73 N -3.34 0.66 -4.57 1.69 1.02 -1.26 -4.86 120.64 109.98 1bwm n GLU 73 Ca -0.01 -0.08 -0.33 0.00 -0.02 0.00 0.00 57.16 56.72 1bwm n GLU 73 Cb 0.29 -1.57 -0.13 0.00 -0.02 0.00 0.00 31.44 30.01 1bwm n GLU 73 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1bwm s ASN 74 N -4.97 4.48 -0.02 1.62 3.84 -1.11 -1.09 114.94 117.69 1bwm s ASN 74 Ca -0.08 -0.19 -0.07 0.00 0.21 0.00 0.00 52.86 52.73 1bwm s ASN 74 Cb 0.11 -1.64 0.01 0.00 -0.55 0.00 0.00 41.25 39.17 1bwm s ASN 74 CO 0.87 0.19 0.15 0.12 -2.79 0.00 0.00 177.10 175.64 1bwm s PHE 75 N 0.22 -0.03 -0.06 0.43 5.36 -1.09 -3.46 117.98 119.35 1bwm s PHE 75 Ca -0.05 0.06 -0.26 0.00 -0.96 0.00 0.00 56.93 55.72 1bwm s PHE 75 Cb -0.14 -0.01 0.06 0.00 -0.34 0.00 0.00 43.02 42.58 1bwm s PHE 75 CO 0.04 -0.23 0.58 -1.12 -1.46 0.00 0.00 175.22 173.03 1bwm s SER 76 N -0.95 -0.54 0.14 6.13 0.01 -1.11 -1.98 113.70 115.40 1bwm s SER 76 Ca -0.10 0.62 -0.19 0.00 1.31 0.00 0.00 55.95 57.59 1bwm s SER 76 Cb -0.06 0.56 0.05 0.00 0.21 0.00 0.00 66.02 66.78 1bwm s SER 76 CO 0.01 -0.53 0.48 -1.48 0.41 0.00 0.00 173.24 172.13 1bwm s LEU 77 N -1.06 0.04 0.00 2.44 0.05 -0.72 -1.77 118.68 117.66 1bwm s LEU 77 Ca -0.10 -0.21 -0.02 0.00 0.05 0.00 0.00 54.13 53.84 1bwm s LEU 77 Cb -0.02 2.13 0.01 0.00 -2.05 0.00 0.00 46.19 46.26 1bwm s LEU 77 CO 0.08 -0.90 0.48 2.30 -0.55 0.00 0.00 176.35 177.75 1bwm n ILE 78 N -0.29 0.00 -4.18 1.48 -0.00 0.57 -2.39 119.36 114.55 1bwm n ILE 78 Ca -0.16 -1.66 -0.13 0.00 -0.00 0.00 0.00 62.75 60.80 1bwm n ILE 78 Cb 0.64 1.04 -0.10 0.00 -0.00 0.00 0.00 39.64 41.22 1bwm n ILE 78 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1bwm s LEU 79 N 0.00 2.45 -0.02 7.28 1.02 -1.00 -0.24 118.68 128.17 1bwm s LEU 79 Ca 0.27 -0.89 0.13 0.00 0.02 0.00 0.00 54.13 53.66 1bwm s LEU 79 Cb -0.01 -0.25 0.22 0.00 0.02 0.00 0.00 46.19 46.17 1bwm s LEU 79 CO 0.19 -0.32 1.09 -0.62 0.02 0.00 0.00 176.35 176.71 1bwm n GLU 80 N 0.30 0.14 -2.70 1.70 1.02 -1.26 -2.62 120.64 117.21 1bwm n GLU 80 Ca -0.14 -1.61 -0.06 0.00 -0.02 0.00 0.00 57.16 55.32 1bwm n GLU 80 Cb 0.59 -0.39 0.08 0.00 -0.02 0.00 0.00 31.44 31.71 1bwm n GLU 80 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1bwm n LEU 81 N 0.09 -1.87 -4.83 -4.62 -0.00 -1.26 -4.85 117.00 99.66 1bwm n LEU 81 Ca 0.04 -2.57 -0.32 0.00 -0.00 0.00 0.00 56.01 53.16 1bwm n LEU 81 Cb 0.89 0.82 -0.05 0.00 -0.00 0.00 0.00 43.42 45.08 1bwm n LEU 81 CO -0.02 1.79 0.64 0.00 -0.00 0.00 0.00 177.39 179.80 1bwm s ALA 82 N 0.26 3.08 0.37 1.47 0.00 -1.26 -4.86 121.76 120.83 1bwm s ALA 82 Ca 0.25 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.55 1bwm s ALA 82 Cb 0.25 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 20.21 1bwm s ALA 82 CO -0.15 -0.01 -0.02 0.95 0.00 0.00 0.00 175.76 176.54 1bwm s THR 83 N -2.36 1.94 0.00 0.00 -4.23 -1.26 -2.28 115.64 107.45 1bwm s THR 83 Ca 0.60 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1bwm s THR 83 Cb -0.09 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 1bwm s THR 83 CO 0.21 -0.07 0.98 -0.81 -0.54 0.00 0.00 174.62 174.40 1bwm n PRO 84 N -0.86 0.47 0.00 3.99 -0.05 -1.26 -2.60 135.00 134.68 1bwm n PRO 84 Ca -0.05 -0.09 0.00 0.00 -0.05 0.00 0.00 63.50 63.31 1bwm n PRO 84 Cb 0.66 -1.40 0.00 0.00 -0.05 0.00 0.00 33.50 32.71 1bwm n PRO 84 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1bwm n SER 85 N 2.05 0.00 0.00 3.54 2.88 -1.26 -5.02 113.62 115.81 1bwm n SER 85 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1bwm n SER 85 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm n GLN 86 N 0.00 0.00 -0.51 -1.46 1.13 -1.07 -5.10 117.38 110.36 1bwm n GLN 86 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 1bwm n GLN 86 Cb 0.00 -0.44 0.21 0.00 0.11 0.00 0.00 30.24 30.12 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 -1.85 0.00 -3.67 5.09 -1.04 -1.26 -4.99 114.28 106.56 1bwm n THR 87 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1bwm n THR 87 Cb 0.06 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 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 -2.95 0.00 -4.54 8.00 7.64 -0.93 -4.92 113.62 115.91 1bwm n SER 88 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 1bwm n SER 88 Cb 0.54 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 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 -3.00 5.03 -0.26 0.44 1.01 -1.21 -2.44 120.40 119.97 1bwm s VAL 89 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1bwm s VAL 89 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1bwm s VAL 89 CO 0.00 -0.27 0.53 -0.31 0.00 0.00 0.00 175.10 175.05 1bwm s TYR 90 N 2.33 3.26 0.22 5.22 1.51 0.45 -2.57 117.35 127.78 1bwm s TYR 90 Ca 0.17 0.64 0.04 0.00 -1.01 0.00 0.00 57.07 56.91 1bwm s TYR 90 Cb -0.16 -2.75 -0.05 0.00 -0.11 0.00 0.00 41.96 38.90 1bwm s TYR 90 CO 0.14 -0.30 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.18 1bwm s PHE 91 N 2.34 1.53 -0.10 2.71 0.40 -1.08 -1.73 117.98 122.05 1bwm s PHE 91 Ca 0.22 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 1bwm s PHE 91 Cb -0.16 -0.86 0.05 0.00 0.51 0.00 0.00 43.02 42.57 1bwm s PHE 91 CO 0.09 0.03 0.20 0.00 0.70 0.00 0.00 175.22 176.24 1bwm s ALA 93 N 2.11 2.55 0.03 0.00 0.00 -0.96 -4.04 121.76 121.44 1bwm s ALA 93 Ca -0.00 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 50.37 1bwm s ALA 93 Cb -0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1bwm s ALA 93 CO -0.07 0.46 -0.03 -1.54 0.00 0.00 0.00 175.76 174.57 1bwm s SER 94 N -2.56 0.39 0.00 0.00 1.04 -1.26 0.41 113.70 111.72 1bwm s SER 94 Ca 0.20 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1bwm s SER 94 Cb -0.08 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1bwm s SER 94 CO 0.10 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1bwm n GLY 95 N 1.10 -1.49 3.37 7.32 0.00 -1.20 -2.64 105.19 111.65 1bwm n GLY 95 Ca -0.21 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -0.44 0.61 -0.02 0.00 -1.26 -4.39 107.32 101.82 1bwm s GLY 96 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 1bwm s GLY 96 CO 0.00 -0.02 1.03 1.20 0.00 0.00 0.00 173.10 175.31 1bwm s GLN 97 N -3.55 3.54 4.18 2.90 -0.21 -1.26 -4.26 119.66 121.00 1bwm s GLN 97 Ca 0.01 0.86 0.00 0.00 0.02 0.00 0.00 55.36 56.25 1bwm s GLN 97 Cb 0.00 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.94 1bwm s GLN 97 CO -0.11 -0.62 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 1bwm n GLY 98 N -2.25 1.47 3.13 3.09 0.00 -1.26 -4.62 105.19 104.74 1bwm n GLY 98 Ca 0.07 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 2.08 0.07 1.61 3.00 -1.26 -4.84 118.95 119.61 1bwm s ARG 99 Ca 0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 55.73 53.84 1bwm s ARG 99 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 34.95 31.30 1bwm s ARG 99 CO 0.00 -1.09 0.12 0.00 0.00 0.00 0.00 175.30 174.33 1bwm s ALA 104 N 1.14 -0.01 0.54 2.13 0.00 -1.26 -4.96 121.76 119.35 1bwm s ALA 104 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1bwm s ALA 104 Cb -0.23 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1bwm s ALA 104 CO -0.04 -0.45 0.00 0.39 0.00 0.00 0.00 175.76 175.66 1bwm n GLU 105 N 0.08 2.73 -4.51 0.00 4.71 -1.26 -4.89 120.64 117.49 1bwm n GLU 105 Ca -0.15 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.77 1bwm n GLU 105 Cb 0.62 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.89 1bwm n GLU 105 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1bwm s GLN 106 N 1.61 1.31 -0.44 3.49 -0.21 -1.26 -4.43 119.66 119.72 1bwm s GLN 106 Ca 0.00 -0.38 0.08 0.00 0.02 0.00 0.00 55.36 55.08 1bwm s GLN 106 Cb 0.00 -1.16 0.40 0.00 1.00 0.00 0.00 33.01 33.26 1bwm s GLN 106 CO 0.00 0.10 1.02 1.19 -2.12 0.00 0.00 175.29 175.48 1bwm n PHE 107 N 3.46 2.92 -0.89 0.91 3.01 -1.08 -3.98 117.46 121.81 1bwm n PHE 107 Ca -0.20 -3.31 -0.30 0.00 1.01 0.00 0.00 57.45 54.65 1bwm n PHE 107 Cb 0.53 -0.25 0.17 0.00 -0.01 0.00 0.00 39.48 39.93 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 -3.37 1.88 0.00 1.38 -0.12 -1.26 -4.40 117.98 112.08 1bwm s PHE 108 Ca 0.44 1.39 0.00 0.00 -0.05 0.00 0.00 56.93 58.71 1bwm s PHE 108 Cb 0.38 -3.19 0.00 0.00 -0.63 0.00 0.00 43.02 39.58 1bwm s PHE 108 CO -0.13 -2.89 0.00 0.41 -0.05 0.00 0.00 175.22 172.56 1bwm n GLY 109 N -0.26 3.71 3.56 1.99 0.00 -1.25 -4.95 105.19 107.99 1bwm n GLY 109 Ca 0.07 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 1bwm n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bwm s PRO 110 N 2.56 1.84 0.00 1.61 0.01 -1.26 -4.88 135.00 134.87 1bwm s PRO 110 Ca 0.00 0.90 0.00 0.00 0.01 0.00 0.00 61.00 61.91 1bwm s PRO 110 Cb 0.00 -4.69 0.00 0.00 0.01 0.00 0.00 34.50 29.82 1bwm s PRO 110 CO 0.00 -3.89 0.00 0.41 0.01 0.00 0.00 177.00 173.53 1bwm n GLY 111 N 6.43 -1.51 3.24 0.52 0.00 -1.26 -3.59 105.19 109.02 1bwm n GLY 111 Ca 0.42 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.26 1.26 -0.14 2.61 2.01 -0.71 -4.92 115.64 115.50 1bwm s THR 112 Ca 0.00 -1.79 -0.04 0.00 0.31 0.00 0.00 61.69 60.17 1bwm s THR 112 Cb 0.00 -1.58 0.07 0.00 0.01 0.00 0.00 72.50 71.00 1bwm s THR 112 CO 0.00 -0.50 0.20 0.00 -0.69 0.00 0.00 174.62 173.63 1bwm s ARG 113 N -2.91 0.12 0.02 4.92 1.04 -1.26 -0.41 118.95 120.46 1bwm s ARG 113 Ca 0.10 0.43 -0.03 0.00 -1.04 0.00 0.00 55.73 55.20 1bwm s ARG 113 Cb -0.03 -0.66 -0.01 0.00 -2.04 0.00 0.00 34.95 32.21 1bwm s ARG 113 CO 0.02 -0.45 0.03 -0.48 -0.04 0.00 0.00 175.30 174.38 1bwm s LEU 114 N 2.32 2.01 0.20 -1.89 0.05 -1.02 -4.77 118.68 115.58 1bwm s LEU 114 Ca 0.04 -0.46 0.11 0.00 0.05 0.00 0.00 54.13 53.87 1bwm s LEU 114 Cb -0.14 0.33 -0.04 0.00 -2.05 0.00 0.00 46.19 44.29 1bwm s LEU 114 CO -0.09 -0.37 -0.22 -0.89 -0.55 0.00 0.00 176.35 174.24 1bwm s THR 115 N -1.74 2.24 -0.18 5.48 2.01 -1.26 -2.20 115.64 119.98 1bwm s THR 115 Ca -0.13 -2.06 -0.02 0.00 0.31 0.00 0.00 61.69 59.80 1bwm s THR 115 Cb -0.07 -2.08 -0.00 0.00 0.01 0.00 0.00 72.50 70.36 1bwm s THR 115 CO -0.01 -0.21 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.92 1bwm s VAL 116 N -1.88 3.00 1.25 3.82 1.01 -1.25 -2.26 120.40 124.10 1bwm s VAL 116 Ca 0.21 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1bwm s VAL 116 Cb -0.07 -2.32 0.32 0.00 0.00 0.00 0.00 36.38 34.31 1bwm s VAL 116 CO 0.10 0.48 0.99 0.18 0.00 0.00 0.00 175.10 176.84 1bwm n LEU 116 N 4.38 -1.69 0.00 3.92 4.77 -1.14 -4.41 117.00 122.83 1bwm n LEU 116 Ca -0.19 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1bwm n LEU 116 Cb 0.51 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1bwm n LEU 116 CO 0.29 -3.62 0.00 0.61 -1.33 0.00 0.00 177.39 173.34 1bwm n GLY 201 N 1.22 -1.58 3.10 -0.72 0.00 -1.26 -2.52 105.19 103.42 1bwm n GLY 201 Ca 0.04 0.63 -0.35 0.00 0.00 0.00 0.00 46.02 46.34 1bwm n GLY 201 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwm s SER 202 N 0.00 5.08 0.20 1.61 0.15 -1.26 -4.57 113.70 114.91 1bwm s SER 202 Ca 0.00 -1.99 -0.01 0.00 0.70 0.00 0.00 55.95 54.65 1bwm s SER 202 Cb 0.00 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 1bwm s SER 202 CO 0.00 -0.47 0.13 1.51 1.20 0.00 0.00 173.24 175.61 1bwm s ASP 203 N 1.52 0.18 -0.29 5.45 1.47 -1.26 -5.14 116.67 118.59 1bwm s ASP 203 Ca 0.08 -1.38 0.03 0.00 1.18 0.00 0.00 52.55 52.46 1bwm s ASP 203 Cb -0.21 0.37 0.18 0.00 -0.34 0.00 0.00 42.92 42.91 1bwm s ASP 203 CO -0.05 -0.83 0.49 -0.72 0.68 0.00 0.00 175.17 174.74 1bwm s TYR 204 N -4.15 -1.38 -0.08 2.11 1.13 -1.26 -5.05 117.35 108.68 1bwm s TYR 204 Ca 0.38 0.72 -0.09 0.00 -1.41 0.00 0.00 57.07 56.67 1bwm s TYR 204 Cb 0.07 0.08 -0.06 0.00 -1.10 0.00 0.00 41.96 40.95 1bwm s TYR 204 CO 0.12 -1.01 0.35 -0.22 -2.51 0.00 0.00 175.55 172.27 1bwm h LYS 205 N 8.09 -0.19 0.00 -3.49 3.64 -2.06 -3.50 116.57 119.06 1bwm h LYS 205 Ca -0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1bwm h LYS 205 Cb 1.15 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1bwm h LYS 205 CO 0.22 -0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 176.98 1bwm n ASP 206 N -4.90 0.00 0.04 4.20 5.75 -1.26 -5.07 116.55 115.31 1bwm n ASP 206 Ca -0.04 -0.59 -0.05 0.00 -0.01 0.00 0.00 54.79 54.10 1bwm n ASP 206 Cb 0.13 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1bwm n ASP 206 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1bwm h ASP 207 N 0.00 -0.17 -4.39 -1.12 3.58 -2.06 -3.48 116.42 108.78 1bwm h ASP 207 Ca 0.00 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 1bwm h ASP 207 Cb 0.00 0.04 -0.20 0.00 1.72 0.00 0.00 39.33 40.89 1bwm h ASP 207 CO 0.00 0.35 0.14 -1.81 -2.88 0.00 0.00 179.24 175.04 1bwm s ASP 208 N -5.39 -0.70 -0.34 2.28 1.01 -1.26 -5.07 116.67 107.21 1bwm s ASP 208 Ca -0.06 1.14 0.13 0.00 0.71 0.00 0.00 52.55 54.48 1bwm s ASP 208 Cb 0.00 1.09 0.42 0.00 1.01 0.00 0.00 42.92 45.43 1bwm s ASP 208 CO 0.19 -0.39 1.52 -0.67 0.21 0.00 0.00 175.17 176.03 1bwm n ASP 209 N 1.99 -1.31 -3.23 0.27 -0.08 -1.26 -5.14 116.55 107.80 1bwm n ASP 209 Ca -0.16 -2.21 -0.15 0.00 -1.51 0.00 0.00 54.79 50.76 1bwm n ASP 209 Cb 0.56 0.63 -0.04 0.00 2.34 0.00 0.00 41.12 44.61 1bwm n ASP 209 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1bwm s LYS 210 N -0.09 1.92 -0.05 -0.67 1.02 -1.26 -5.07 119.74 115.54 1bwm s LYS 210 Ca 0.10 -1.78 0.22 0.00 0.02 0.00 0.00 55.97 54.54 1bwm s LYS 210 Cb 0.44 0.44 0.42 0.00 -0.52 0.00 0.00 37.83 38.61 1bwm s LYS 210 CO -0.12 -0.79 1.18 -2.13 -0.92 0.00 0.00 175.35 172.56 1bwm n ARG 211 N -0.57 0.36 -3.82 1.68 0.63 -1.26 -5.02 116.66 108.65 1bwm n ARG 211 Ca 0.01 -2.28 -0.36 0.00 -0.92 0.00 0.00 57.85 54.30 1bwm n ARG 211 Cb 0.61 -0.37 -0.13 0.00 0.45 0.00 0.00 32.46 33.03 1bwm n ARG 211 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1bwm s SER 212 N -2.27 5.13 0.37 6.15 0.15 -1.26 -4.97 113.70 117.01 1bwm s SER 212 Ca 0.35 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.63 1bwm s SER 212 Cb 0.38 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1bwm s SER 212 CO -0.15 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1bwm n GLY 213 N 4.70 -4.27 0.00 9.45 0.00 -1.26 -5.04 105.19 108.77 1bwm n GLY 213 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.74 -0.47 0.00 -0.02 0.00 -1.26 -4.96 105.19 97.73 1bwm n GLY 214 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 1.06 2.39 -0.02 0.00 -1.26 -4.98 105.19 102.39 1bwm n GLY 215 Ca 0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 4.22 2.71 -0.02 0.00 -1.26 -4.35 105.19 106.49 1bwm n GLY 216 Ca 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 1bwm n GLY 216 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 217 N 4.02 -2.18 0.00 1.61 2.88 -1.26 -5.02 113.62 113.67 1bwm n SER 217 Ca 0.73 -2.79 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1bwm n SER 217 Cb 0.25 1.46 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 1bwm n SER 217 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 218 N 1.28 0.39 2.88 0.46 0.00 -1.26 -5.01 105.19 103.94 1bwm n GLY 218 Ca 0.05 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.49 0.16 -0.02 0.00 -1.26 -4.97 105.19 98.61 1bwm n GLY 219 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.21 -0.44 1.03 -0.02 0.00 -1.26 -4.64 105.19 98.65 1bwm n GLY 220 Ca -0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 1.30 5.53 3.81 -0.02 0.00 -1.26 -4.94 105.19 109.60 1bwm n GLY 221 Ca -0.53 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.00 -4.64 0.00 1.61 2.88 -1.26 -4.72 113.62 106.50 1bwm n SER 222 Ca 0.27 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1bwm n SER 222 Cb 0.78 -3.73 0.00 0.00 -0.75 0.00 0.00 64.21 60.51 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 -1.58 3.73 1.15 0.46 0.00 -1.26 -5.13 105.19 102.55 1bwm n GLY 223 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.20 -1.96 2.86 -0.02 0.00 -1.26 -4.99 105.19 99.61 1bwm n GLY 224 Ca 0.00 0.57 -0.20 0.00 0.00 0.00 0.00 46.02 46.39 1bwm n GLY 224 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwm s SER 225 N -1.03 0.96 0.00 1.61 1.04 -1.26 -5.08 113.70 109.94 1bwm s SER 225 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1bwm s SER 225 Cb 0.00 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1bwm s SER 225 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1bwm n GLY 226 N 4.21 -0.59 0.00 7.32 0.00 -1.26 -5.17 105.19 109.71 1bwm n GLY 226 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.00 0.00 4.61 0.00 -1.26 -5.15 120.51 118.71 1bwm n ALA 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bwm n ALA 227 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bwm n ALA 227 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bwm n GLN 301 N 0.00 0.00 -0.06 0.00 7.27 -1.26 -5.16 117.38 118.17 1bwm n GLN 301 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 1bwm n GLN 301 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1bwm n GLN 302 N 0.00 0.39 -1.62 3.69 6.02 -1.26 -4.97 117.38 119.62 1bwm n GLN 302 Ca 0.00 0.16 -0.39 0.00 -0.01 0.00 0.00 57.00 56.76 1bwm n GLN 302 Cb 0.00 -1.17 0.04 0.00 1.02 0.00 0.00 30.24 30.13 1bwm n GLN 302 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1bwm n VAL 303 N -4.09 3.33 -3.32 5.09 3.14 -1.25 -3.99 118.33 117.23 1bwm n VAL 303 Ca -0.19 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.61 1bwm n VAL 303 Cb 0.49 -1.18 -0.07 0.00 -1.06 0.00 0.00 33.84 32.02 1bwm n VAL 303 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1bwm s ARG 304 N -2.56 0.38 0.30 1.45 3.52 -1.10 -3.84 118.95 117.11 1bwm s ARG 304 Ca 0.72 0.40 -0.18 0.00 -0.13 0.00 0.00 55.73 56.54 1bwm s ARG 304 Cb -0.45 -0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 32.48 1bwm s ARG 304 CO 0.50 -0.79 0.77 -1.14 -0.81 0.00 0.00 175.30 173.83 1bwm s GLN 305 N 2.56 4.16 -0.81 5.12 0.74 -1.25 -1.24 119.66 128.93 1bwm s GLN 305 Ca 0.12 0.84 -0.34 0.00 0.05 0.00 0.00 55.36 56.04 1bwm s GLN 305 Cb -0.14 -2.57 -0.19 0.00 1.10 0.00 0.00 33.01 31.20 1bwm s GLN 305 CO -0.22 0.22 2.53 0.45 -0.55 0.00 0.00 175.29 177.72 1bwm n SER 306 N 0.03 0.66 -3.25 6.67 2.88 0.50 -4.89 113.62 116.22 1bwm n SER 306 Ca 0.02 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1bwm n SER 306 Cb 0.52 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1bwm n SER 306 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bwm n PRO 307 N 8.31 -0.09 -1.53 -1.46 -0.05 -1.26 -4.08 135.00 134.84 1bwm n PRO 307 Ca 0.60 0.00 -0.15 0.00 -0.05 0.00 0.00 63.50 63.89 1bwm n PRO 307 Cb 0.07 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.46 1bwm n PRO 307 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 1bwm n GLN 308 N -0.77 -1.40 0.00 0.54 6.02 -1.26 -4.72 117.38 115.79 1bwm n GLN 308 Ca 0.00 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 1bwm n GLN 308 Cb 0.00 -5.22 0.00 0.00 1.02 0.00 0.00 30.24 26.04 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1bwm n SER 309 N -0.86 -0.89 -3.15 1.08 3.41 -1.26 -4.84 113.62 107.12 1bwm n SER 309 Ca -0.16 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.50 1bwm n SER 309 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1bwm n SER 309 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1bwm s LEU 310 N 0.00 -0.91 0.19 1.04 2.96 -1.19 -4.95 118.68 115.82 1bwm s LEU 310 Ca 0.00 0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 1bwm s LEU 310 Cb 0.00 1.74 -0.04 0.00 0.50 0.00 0.00 46.19 48.39 1bwm s LEU 310 CO 0.00 -0.17 0.11 -0.89 -1.32 0.00 0.00 176.35 174.08 1bwm s THR 311 N 2.91 4.24 0.05 3.68 2.01 -1.26 -2.21 115.64 125.05 1bwm s THR 311 Ca 0.10 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.55 1bwm s THR 311 Cb -0.12 -3.19 0.09 0.00 0.01 0.00 0.00 72.50 69.30 1bwm s THR 311 CO -0.17 -0.17 1.06 0.54 -0.69 0.00 0.00 174.62 175.20 1bwm s VAL 312 N -1.85 0.00 0.63 3.82 0.11 -0.85 -4.96 120.40 117.29 1bwm s VAL 312 Ca 0.30 -0.36 -0.13 0.00 -2.93 0.00 0.00 61.98 58.86 1bwm s VAL 312 Cb -0.09 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1bwm s VAL 312 CO 0.22 0.00 1.04 0.86 -3.33 0.00 0.00 175.10 173.89 1bwm s TRP 313 N -2.93 3.27 1.01 1.54 -0.00 -0.93 -1.59 118.94 119.31 1bwm s TRP 313 Ca 0.11 1.42 -0.16 0.00 -0.00 0.00 0.00 56.10 57.47 1bwm s TRP 313 Cb 0.00 -2.85 0.20 0.00 -0.00 0.00 0.00 33.47 30.82 1bwm s TRP 313 CO -0.02 -0.94 1.21 -1.83 -0.00 0.00 0.00 176.95 175.36 1bwm s GLU 314 N -4.72 0.29 -1.08 5.86 -1.05 -1.26 -4.14 118.70 112.59 1bwm s GLU 314 Ca 0.59 -0.10 -0.01 0.00 -0.15 0.00 0.00 54.97 55.29 1bwm s GLU 314 Cb -0.13 -1.78 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 1bwm s GLU 314 CO 0.47 -2.70 0.18 0.41 0.95 0.00 0.00 175.26 174.57 1bwm n GLY 315 N -2.52 -0.14 3.26 -3.83 0.00 -1.26 -5.00 105.19 95.70 1bwm n GLY 315 Ca 0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1bwm n GLY 315 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bwm s GLU 316 N -4.95 1.31 0.79 1.61 2.02 -1.26 -5.00 118.70 113.23 1bwm s GLU 316 Ca 0.09 -1.63 -0.07 0.00 0.02 0.00 0.00 54.97 53.38 1bwm s GLU 316 Cb -0.04 0.30 0.13 0.00 0.10 0.00 0.00 34.13 34.63 1bwm s GLU 316 CO 0.11 -0.46 1.11 -0.08 0.02 0.00 0.00 175.26 175.96 1bwm s THR 317 N -4.04 2.14 -0.07 3.63 -1.32 -1.26 -4.61 115.64 110.11 1bwm s THR 317 Ca 0.37 -0.31 -0.19 0.00 -1.21 0.00 0.00 61.69 60.35 1bwm s THR 317 Cb 0.05 -2.83 0.04 0.00 -1.51 0.00 0.00 72.50 68.26 1bwm s THR 317 CO 0.13 0.00 0.44 -0.89 -2.21 0.00 0.00 174.62 172.10 1bwm s THR 318 N -3.42 0.03 -0.04 5.08 2.01 -0.90 -5.00 115.64 113.40 1bwm s THR 318 Ca 0.67 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1bwm s THR 318 Cb -0.06 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.75 1bwm s THR 318 CO 0.47 -0.13 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.62 1bwm s ILE 319 N -0.86 0.42 0.40 1.82 1.01 -1.26 -2.35 121.20 120.38 1bwm s ILE 319 Ca -0.09 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.54 1bwm s ILE 319 Cb -0.03 -0.48 -0.00 0.00 0.01 0.00 0.00 42.46 41.95 1bwm s ILE 319 CO 0.05 0.21 0.59 -0.76 0.00 0.00 0.00 174.94 175.02 1bwm s LEU 320 N 1.02 3.78 -0.23 2.97 1.02 -1.07 -4.88 118.68 121.29 1bwm s LEU 320 Ca -0.10 0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 1bwm s LEU 320 Cb -0.14 -2.98 0.11 0.00 0.02 0.00 0.00 46.19 43.20 1bwm s LEU 320 CO -0.01 -0.60 0.26 0.20 0.02 0.00 0.00 176.35 176.23 1bwm s ASN 321 N -4.20 1.33 0.19 2.29 -0.87 -1.26 -2.63 114.94 109.79 1bwm s ASN 321 Ca 0.47 -0.31 0.05 0.00 -1.57 0.00 0.00 52.86 51.50 1bwm s ASN 321 Cb -0.10 0.51 -0.04 0.00 -0.02 0.00 0.00 41.25 41.60 1bwm s ASN 321 CO 0.35 -0.34 0.19 0.00 -2.57 0.00 0.00 177.10 174.73 1bwm n SER 323 N -0.70 1.35 -3.59 0.00 2.88 -0.38 -2.45 113.62 110.74 1bwm n SER 323 Ca -0.08 -2.75 -0.06 0.00 -1.33 0.00 0.00 58.87 54.64 1bwm n SER 323 Cb 0.56 0.78 -0.04 0.00 -0.75 0.00 0.00 64.21 64.76 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 -2.75 -0.22 -0.17 0.66 1.13 -1.26 -2.70 117.35 112.04 1bwm s TYR 324 Ca 0.15 0.28 0.06 0.00 -1.41 0.00 0.00 57.07 56.16 1bwm s TYR 324 Cb 0.01 0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 41.28 1bwm s TYR 324 CO 0.11 -0.26 0.21 -1.91 -2.51 0.00 0.00 175.55 171.19 1bwm n GLU 325 N 0.31 2.94 -4.37 -3.49 2.13 -1.26 -4.86 120.64 112.05 1bwm n GLU 325 Ca -0.05 -0.02 -0.25 0.00 0.66 0.00 0.00 57.16 57.50 1bwm n GLU 325 Cb 0.59 -0.95 -0.09 0.00 0.27 0.00 0.00 31.44 31.26 1bwm n GLU 325 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1bwm s ASP 326 N -2.07 4.11 -0.08 4.31 1.11 -1.26 -5.05 116.67 117.75 1bwm s ASP 326 Ca 0.00 -1.05 0.14 0.00 0.18 0.00 0.00 52.55 51.82 1bwm s ASP 326 Cb 0.04 -0.49 0.27 0.00 1.07 0.00 0.00 42.92 43.81 1bwm s ASP 326 CO 0.26 -0.26 1.13 -1.20 1.18 0.00 0.00 175.17 176.27 1bwm n SER 327 N -0.95 1.18 -1.20 0.27 7.64 -1.26 -4.75 113.62 114.55 1bwm n SER 327 Ca -0.04 -2.66 0.01 0.00 1.01 0.00 0.00 58.87 57.18 1bwm n SER 327 Cb 0.63 -0.35 0.24 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.44 2.51 -1.77 0.44 5.66 -1.26 -5.01 114.28 114.41 1bwm n THR 328 Ca 0.09 -2.16 -0.29 0.00 -3.05 0.00 0.00 64.05 58.63 1bwm n THR 328 Cb 0.80 -0.30 0.16 0.00 -1.55 0.00 0.00 70.33 69.44 1bwm n THR 328 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1bwm s PHE 329 N -3.03 1.91 0.00 1.09 0.08 -1.26 -4.63 117.98 112.14 1bwm s PHE 329 Ca 0.45 0.51 0.00 0.00 0.12 0.00 0.00 56.93 58.02 1bwm s PHE 329 Cb 0.38 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.04 1bwm s PHE 329 CO 0.06 -2.55 0.00 -0.25 -0.10 0.00 0.00 175.22 172.38 1bwm n ASP 330 N -3.78 1.11 -4.11 1.36 8.00 -1.26 -4.82 116.55 113.04 1bwm n ASP 330 Ca 0.12 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.54 1bwm n ASP 330 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.60 1bwm n ASP 330 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1bwm s TYR 331 N -1.72 0.63 -0.39 1.24 1.51 -1.26 -4.72 117.35 112.64 1bwm s TYR 331 Ca 0.00 -1.10 0.03 0.00 -1.01 0.00 0.00 57.07 54.99 1bwm s TYR 331 Cb 0.00 -0.42 0.16 0.00 -0.11 0.00 0.00 41.96 41.59 1bwm s TYR 331 CO 0.00 -0.40 0.34 -0.06 -1.11 0.00 0.00 175.55 174.32 1bwm s PHE 332 N -3.93 0.38 -0.30 2.71 0.40 -1.26 -1.91 117.98 114.07 1bwm s PHE 332 Ca 0.11 -1.55 -0.28 0.00 -0.60 0.00 0.00 56.93 54.61 1bwm s PHE 332 Cb 0.08 -0.68 -0.05 0.00 0.51 0.00 0.00 43.02 42.88 1bwm s PHE 332 CO -0.07 -0.90 2.24 -2.14 0.70 0.00 0.00 175.22 175.05 1bwm s PRO 333 N 0.83 2.88 -0.50 0.24 0.01 -1.26 -4.14 135.00 133.05 1bwm s PRO 333 Ca 0.23 1.82 -0.23 0.00 0.01 0.00 0.00 61.00 62.83 1bwm s PRO 333 Cb -0.11 -4.42 0.04 0.00 0.01 0.00 0.00 34.50 30.02 1bwm s PRO 333 CO -0.07 -2.39 0.83 -1.58 0.01 0.00 0.00 177.00 173.80 1bwm s TRP 334 N 9.20 2.92 0.06 6.54 0.52 -1.07 -4.56 118.94 132.55 1bwm s TRP 334 Ca 0.98 0.01 -0.18 0.00 0.02 0.00 0.00 56.10 56.93 1bwm s TRP 334 Cb -0.28 -3.81 0.06 0.00 -1.15 0.00 0.00 33.47 28.28 1bwm s TRP 334 CO 0.33 -1.14 0.82 2.48 0.02 0.00 0.00 176.95 179.46 1bwm n TYR 335 N 6.95 -0.74 0.00 -1.98 0.18 -1.13 -2.73 117.16 117.71 1bwm n TYR 335 Ca 0.01 -0.72 0.00 0.00 1.88 0.00 0.00 57.90 59.07 1bwm n TYR 335 Cb 0.48 0.34 0.00 0.00 -0.38 0.00 0.00 39.34 39.78 1bwm n TYR 335 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 1bwm n ARG 336 N -0.58 0.00 -4.23 -3.48 0.63 -1.16 0.11 116.66 107.95 1bwm n ARG 336 Ca 0.01 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1bwm n ARG 336 Cb 0.41 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.22 1bwm n ARG 336 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1bwm s GLN 337 N 0.00 1.02 0.43 -0.14 -0.21 -1.09 -1.83 119.66 117.84 1bwm s GLN 337 Ca 0.00 -1.44 0.06 0.00 0.02 0.00 0.00 55.36 54.00 1bwm s GLN 337 Cb 0.00 -0.50 -0.07 0.00 1.00 0.00 0.00 33.01 33.44 1bwm s GLN 337 CO 0.00 0.03 0.01 -0.06 -2.12 0.00 0.00 175.29 173.15 1bwm s PHE 338 N -3.42 2.39 0.00 0.91 0.40 -1.22 -1.86 117.98 115.18 1bwm s PHE 338 Ca 0.16 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1bwm s PHE 338 Cb 0.04 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.82 1bwm s PHE 338 CO -0.00 0.40 0.88 -2.30 0.70 0.00 0.00 175.22 174.90 1bwm n PRO 339 N -1.02 0.00 -0.08 0.24 -0.01 -1.26 -4.37 135.00 128.50 1bwm n PRO 339 Ca -0.08 0.45 -0.08 0.00 -0.01 0.00 0.00 63.50 63.78 1bwm n PRO 339 Cb 0.67 -1.38 -0.13 0.00 -0.01 0.00 0.00 33.50 32.64 1bwm n PRO 339 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bwm n GLY 340 N -0.90 -0.84 3.77 -1.23 0.00 -1.26 -4.96 105.19 99.77 1bwm n GLY 340 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1bwm n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm s LYS 341 N -2.44 3.71 0.81 1.61 -0.14 -1.26 -5.00 119.74 117.03 1bwm s LYS 341 Ca -0.08 1.68 -0.10 0.00 -1.36 0.00 0.00 55.97 56.11 1bwm s LYS 341 Cb 0.05 -2.31 0.08 0.00 -1.68 0.00 0.00 37.83 33.98 1bwm s LYS 341 CO 0.70 -0.57 1.10 -1.54 -0.76 0.00 0.00 175.35 174.28 1bwm s SER 342 N -1.52 4.07 0.78 2.83 1.04 -1.26 -3.41 113.70 116.23 1bwm s SER 342 Ca 0.65 1.87 -0.13 0.00 0.48 0.00 0.00 55.95 58.82 1bwm s SER 342 Cb -0.26 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.43 1bwm s SER 342 CO 0.31 -2.32 1.18 -2.16 0.98 0.00 0.00 173.24 171.23 1bwm s PRO 343 N -4.85 1.84 0.00 4.02 0.05 -1.26 -4.35 135.00 130.44 1bwm s PRO 343 Ca 0.62 1.65 0.00 0.00 0.05 0.00 0.00 61.00 63.33 1bwm s PRO 343 Cb -0.18 -1.81 0.00 0.00 0.05 0.00 0.00 34.50 32.56 1bwm s PRO 343 CO 0.57 -2.04 0.00 0.00 0.05 0.00 0.00 177.00 175.57 1bwm n ALA 344 N -3.21 0.00 -1.78 8.56 0.00 -0.76 -4.94 120.51 118.39 1bwm n ALA 344 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 1bwm n ALA 344 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 3.81 0.03 0.00 2.96 -1.26 -3.00 118.68 121.22 1bwm s LEU 345 Ca 0.00 2.13 -0.04 0.00 -0.22 0.00 0.00 54.13 56.00 1bwm s LEU 345 Cb 0.00 -4.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.15 1bwm s LEU 345 CO 0.00 -1.07 -0.08 0.18 -1.32 0.00 0.00 176.35 174.05 1bwm n LEU 346 N -1.11 1.29 0.00 -0.68 4.77 -1.10 -4.97 117.00 115.20 1bwm n LEU 346 Ca 0.10 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1bwm n LEU 346 Cb 0.51 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1bwm n LEU 346 CO 0.42 -0.63 0.00 2.30 -1.33 0.00 0.00 177.39 178.15 1bwm n ILE 347 N -3.71 0.00 -3.52 -0.08 -0.00 -1.16 -5.04 119.36 105.85 1bwm n ILE 347 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.62 1bwm n ILE 347 Cb 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.73 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 -1.51 -1.85 0.00 -1.28 0.00 -1.26 -2.60 121.76 113.26 1bwm s ALA 348 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1bwm s ALA 348 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1bwm s ALA 348 CO 0.00 -0.56 0.00 0.44 0.00 0.00 0.00 175.76 175.64 1bwm n ILE 349 N 0.12 0.00 -1.19 0.00 -0.00 -1.26 -5.01 119.36 112.02 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 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.24 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 -3.63 7.28 2.88 -1.26 -4.22 113.62 114.67 1bwm n SER 350 Ca 0.00 -0.58 -0.23 0.00 -1.33 0.00 0.00 58.87 56.73 1bwm n SER 350 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 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 -3.40 0.00 2.46 7.94 -1.26 -4.89 117.00 117.85 1bwm n LEU 351 Ca 0.00 -0.85 0.00 0.00 -1.11 0.00 0.00 56.01 54.05 1bwm n LEU 351 Cb 0.14 -2.68 0.00 0.00 0.53 0.00 0.00 43.42 41.41 1bwm n LEU 351 CO 0.00 0.38 -0.25 0.55 -1.11 0.00 0.00 177.39 176.95 1bwm n VAL 352 N -4.11 0.00 -3.03 1.96 3.14 -1.26 -5.07 118.33 109.96 1bwm n VAL 352 Ca -0.23 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 60.83 1bwm n VAL 352 Cb 0.65 -0.35 -0.06 0.00 -1.06 0.00 0.00 33.84 33.02 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 -2.93 6.77 0.65 6.55 0.01 -1.26 -4.93 113.70 118.56 1bwm s SER 353 Ca 0.00 1.35 0.37 0.00 1.31 0.00 0.00 55.95 58.98 1bwm s SER 353 Cb 0.00 -2.40 2.06 0.00 0.21 0.00 0.00 66.02 65.89 1bwm s SER 353 CO 0.00 -0.26 2.21 -1.13 0.41 0.00 0.00 173.24 174.47 1bwm h ASN 354 N 2.06 0.00 -5.01 2.44 -1.24 -1.96 -3.41 115.58 108.46 1bwm h ASN 354 Ca -0.48 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.48 1bwm h ASN 354 Cb 1.18 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 40.07 1bwm h ASN 354 CO 0.64 0.00 0.09 -1.59 -1.29 0.00 0.00 177.43 175.29 1bwm s LYS 355 N -4.26 1.07 -0.05 6.67 -2.85 -1.26 -2.61 119.74 116.46 1bwm s LYS 355 Ca -0.05 -0.17 -0.17 0.00 -1.00 0.00 0.00 55.97 54.59 1bwm s LYS 355 Cb 0.12 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.42 1bwm s LYS 355 CO 0.41 -0.39 0.38 0.15 0.10 0.00 0.00 175.35 176.00 1bwm s LYS 356 N -2.37 0.68 0.02 1.78 1.02 0.69 -4.98 119.74 116.59 1bwm s LYS 356 Ca -0.06 0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.03 1bwm s LYS 356 Cb -0.01 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.60 1bwm s LYS 356 CO -0.01 -0.18 -0.19 -2.00 -0.92 0.00 0.00 175.35 172.06 1bwm s GLU 357 N -0.98 1.34 -0.41 1.68 2.12 -1.26 0.11 118.70 121.29 1bwm s GLU 357 Ca -0.10 -0.80 0.09 0.00 0.36 0.00 0.00 54.97 54.52 1bwm s GLU 357 Cb -0.04 -1.37 0.29 0.00 0.26 0.00 0.00 34.13 33.27 1bwm s GLU 357 CO 0.04 0.36 0.74 -0.25 -0.54 0.00 0.00 175.26 175.61 1bwm n ASP 358 N 2.15 -0.48 0.00 -1.70 8.00 -1.09 -5.00 116.55 118.43 1bwm n ASP 358 Ca -0.16 -3.05 0.00 0.00 0.71 0.00 0.00 54.79 52.29 1bwm n ASP 358 Cb 0.54 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwm n GLY 359 N 0.91 1.25 0.00 0.44 0.00 -1.26 -4.68 105.19 101.86 1bwm n GLY 359 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.86 -4.35 1.61 5.12 -1.26 -5.04 116.66 113.60 1bwm n ARG 361 Ca 0.00 -0.96 -0.21 0.00 -1.93 0.00 0.00 57.85 54.75 1bwm n ARG 361 Cb 0.00 -0.99 -0.11 0.00 -1.16 0.00 0.00 32.46 30.20 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1bwm s PHE 362 N -0.46 1.83 -0.24 -1.55 -0.12 -1.26 -4.68 117.98 111.50 1bwm s PHE 362 Ca 0.00 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 56.40 1bwm s PHE 362 Cb 0.00 -0.88 0.06 0.00 -0.63 0.00 0.00 43.02 41.57 1bwm s PHE 362 CO 0.00 0.38 -0.05 -0.08 -0.05 0.00 0.00 175.22 175.42 1bwm s THR 363 N -2.39 1.58 0.37 -4.49 -1.32 -0.95 -2.68 115.64 105.75 1bwm s THR 363 Ca 0.19 -1.30 -0.26 0.00 -1.21 0.00 0.00 61.69 59.12 1bwm s THR 363 Cb -0.04 -1.86 -0.09 0.00 -1.51 0.00 0.00 72.50 69.00 1bwm s THR 363 CO 0.07 -0.14 1.09 -0.63 -2.21 0.00 0.00 174.62 172.81 1bwm s ILE 364 N 1.36 3.51 0.22 5.08 1.09 0.30 -2.66 121.20 130.11 1bwm s ILE 364 Ca -0.05 1.28 0.09 0.00 -1.10 0.00 0.00 60.65 60.86 1bwm s ILE 364 Cb -0.19 -3.72 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 1bwm s ILE 364 CO -0.07 0.12 -0.16 0.12 -0.10 0.00 0.00 174.94 174.86 1bwm s PHE 365 N -1.46 1.85 -0.05 3.97 2.19 0.12 -0.22 117.98 124.38 1bwm s PHE 365 Ca 0.54 -0.51 0.02 0.00 0.33 0.00 0.00 56.93 57.31 1bwm s PHE 365 Cb -0.27 -0.84 -0.03 0.00 -1.31 0.00 0.00 43.02 40.57 1bwm s PHE 365 CO 0.34 0.44 -0.08 0.12 1.83 0.00 0.00 175.22 177.87 1bwm s PHE 366 N -2.82 2.89 -0.36 10.12 5.36 -1.07 -1.52 117.98 130.57 1bwm s PHE 366 Ca 0.24 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.22 1bwm s PHE 366 Cb -0.02 -1.67 0.11 0.00 -0.34 0.00 0.00 43.02 41.09 1bwm s PHE 366 CO 0.09 0.32 0.09 1.21 -1.46 0.00 0.00 175.22 175.47 1bwm s ASN 367 N -0.93 4.47 0.01 6.13 3.04 0.24 -4.96 114.94 122.94 1bwm s ASN 367 Ca 0.13 -2.15 -0.23 0.00 0.04 0.00 0.00 52.86 50.65 1bwm s ASN 367 Cb -0.11 -1.40 -0.18 0.00 -1.54 0.00 0.00 41.25 38.02 1bwm s ASN 367 CO 0.03 -0.37 1.31 0.11 -3.04 0.00 0.00 177.10 175.13 1bwm h LYS 368 N 7.56 0.16 -0.21 0.43 1.57 -1.96 0.33 116.57 124.46 1bwm h LYS 368 Ca -0.07 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1bwm h LYS 368 Cb 1.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1bwm h LYS 368 CO 0.52 0.60 0.22 0.00 -0.57 0.00 0.00 179.45 180.23 1bwm h ARG 369 N -0.27 0.00 -0.01 3.15 3.08 -1.95 -0.44 114.38 117.94 1bwm h ARG 369 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1bwm h ARG 369 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1bwm h ARG 369 CO 0.02 0.00 -0.20 0.39 -1.07 0.00 0.00 179.97 179.11 1bwm n GLU 370 N -3.82 1.58 -3.64 0.04 1.02 -1.12 -5.00 120.64 109.69 1bwm n GLU 370 Ca 0.02 -0.93 -0.20 0.00 -0.02 0.00 0.00 57.16 56.03 1bwm n GLU 370 Cb 0.35 -1.23 0.04 0.00 -0.02 0.00 0.00 31.44 30.59 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bwm n LYS 371 N 0.14 -5.17 -3.77 3.49 4.81 0.11 -4.96 118.16 112.81 1bwm n LYS 371 Ca 0.07 0.66 -0.02 0.00 -0.87 0.00 0.00 58.31 58.15 1bwm n LYS 371 Cb 0.31 -5.30 -0.00 0.00 0.02 0.00 0.00 35.03 30.06 1bwm n LYS 371 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1bwm s LYS 372 N -5.84 1.01 0.24 1.64 0.00 -0.50 -4.25 119.74 112.04 1bwm s LYS 372 Ca 0.01 -0.59 0.05 0.00 0.00 0.00 0.00 55.97 55.44 1bwm s LYS 372 Cb -0.00 0.32 -0.05 0.00 0.00 0.00 0.00 37.83 38.10 1bwm s LYS 372 CO 0.80 -0.47 -0.04 -0.48 0.00 0.00 0.00 175.35 175.15 1bwm s LEU 373 N -3.10 2.37 -0.08 2.77 2.34 -1.02 0.80 118.68 122.74 1bwm s LEU 373 Ca 0.16 -1.18 -0.07 0.00 0.06 0.00 0.00 54.13 53.10 1bwm s LEU 373 Cb -0.00 -0.46 0.02 0.00 -0.56 0.00 0.00 46.19 45.19 1bwm s LEU 373 CO 0.02 -0.40 0.22 -0.55 -1.06 0.00 0.00 176.35 174.57 1bwm s SER 374 N -3.35 -0.23 0.11 1.48 0.15 -0.58 -2.29 113.70 108.99 1bwm s SER 374 Ca 0.27 0.44 0.02 0.00 0.70 0.00 0.00 55.95 57.39 1bwm s SER 374 Cb 0.04 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1bwm s SER 374 CO 0.09 -0.08 0.20 -0.22 1.20 0.00 0.00 173.24 174.43 1bwm s LEU 375 N 0.19 4.17 -0.01 3.45 0.20 -1.08 0.14 118.68 125.75 1bwm s LEU 375 Ca -0.01 0.12 0.06 0.00 0.69 0.00 0.00 54.13 55.00 1bwm s LEU 375 Cb -0.02 -2.78 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1bwm s LEU 375 CO -0.00 0.11 -0.19 -1.00 -0.29 0.00 0.00 176.35 174.98 1bwm s HIS 376 N -1.61 1.71 -0.27 5.38 3.76 -1.09 -2.60 115.29 120.58 1bwm s HIS 376 Ca 0.33 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 1bwm s HIS 376 Cb -0.12 -1.09 0.13 0.00 1.11 0.00 0.00 32.58 32.61 1bwm s HIS 376 CO 0.26 -0.02 0.32 -1.50 -0.85 0.00 0.00 174.74 172.95 1bwm s ILE 377 N -0.49 -0.46 0.36 0.60 1.10 -0.99 -2.24 121.20 119.09 1bwm s ILE 377 Ca 0.07 -0.35 0.08 0.00 -0.51 0.00 0.00 60.65 59.95 1bwm s ILE 377 Cb -0.07 -0.93 -0.06 0.00 0.15 0.00 0.00 42.46 41.55 1bwm s ILE 377 CO -0.00 -0.35 0.02 0.28 -2.11 0.00 0.00 174.94 172.77 1bwm s THR 378 N 2.42 2.41 -1.25 4.00 -1.32 -1.26 -2.11 115.64 118.52 1bwm s THR 378 Ca 0.10 -1.97 -0.02 0.00 -1.21 0.00 0.00 61.69 58.58 1bwm s THR 378 Cb -0.14 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 1bwm s THR 378 CO -0.27 -0.14 0.99 -0.67 -2.21 0.00 0.00 174.62 172.32 1bwm n ASP 379 N -0.97 -2.78 -4.50 8.08 -0.08 -1.26 -5.01 116.55 110.03 1bwm n ASP 379 Ca -0.04 -0.64 -0.30 0.00 -1.51 0.00 0.00 54.79 52.30 1bwm n ASP 379 Cb 0.64 -4.94 -0.08 0.00 2.34 0.00 0.00 41.12 39.08 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1bwm s SER 380 N -4.15 3.61 0.32 1.67 0.15 -1.26 -5.07 113.70 108.98 1bwm s SER 380 Ca 0.12 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.11 1bwm s SER 380 Cb -0.06 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1bwm s SER 380 CO 0.74 -0.89 0.00 0.00 1.20 0.00 0.00 173.24 174.29 1bwm n GLN 381 N -1.13 0.00 -1.69 5.44 6.02 -1.26 -4.37 117.38 120.39 1bwm n GLN 381 Ca -0.14 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.48 1bwm n GLN 381 Cb 0.66 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.99 1bwm n GLN 381 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1bwm s PRO 382 N -2.00 2.48 0.00 -1.09 0.01 -1.26 -4.47 135.00 128.67 1bwm s PRO 382 Ca 0.00 2.03 0.00 0.00 0.01 0.00 0.00 61.00 63.04 1bwm s PRO 382 Cb 0.00 -1.84 0.00 0.00 0.01 0.00 0.00 34.50 32.67 1bwm s PRO 382 CO 0.00 -1.64 0.00 0.41 0.01 0.00 0.00 177.00 175.78 1bwm n GLY 383 N 0.84 2.90 3.76 0.52 0.00 -1.26 -4.96 105.19 107.00 1bwm n GLY 383 Ca 0.16 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -2.06 -1.07 1.61 -0.08 -1.26 -4.59 116.55 109.10 1bwm n ASP 384 Ca 0.00 -0.81 0.11 0.00 -1.51 0.00 0.00 54.79 52.57 1bwm n ASP 384 Cb 0.00 -4.00 -0.06 0.00 2.34 0.00 0.00 41.12 39.40 1bwm n ASP 384 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1bwm n SER 385 N -3.00 -5.79 -3.59 1.67 7.64 -1.26 -4.70 113.62 104.59 1bwm n SER 385 Ca -0.22 1.12 -0.09 0.00 1.01 0.00 0.00 58.87 60.70 1bwm n SER 385 Cb 0.64 -3.60 -0.05 0.00 -1.01 0.00 0.00 64.21 60.19 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm s ALA 386 N -4.15 -1.97 -0.03 -0.43 0.00 0.69 -4.30 121.76 111.57 1bwm s ALA 386 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1bwm s ALA 386 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1bwm s ALA 386 CO 0.00 -0.30 -0.04 0.95 0.00 0.00 0.00 175.76 176.38 1bwm s THR 387 N -1.10 3.91 0.07 0.00 -4.23 -0.77 0.05 115.64 113.57 1bwm s THR 387 Ca 0.00 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1bwm s THR 387 Cb -0.01 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1bwm s THR 387 CO -0.00 0.49 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.15 1bwm s TYR 388 N -0.94 0.94 -0.05 3.99 1.51 -1.04 -2.68 117.35 119.07 1bwm s TYR 388 Ca 0.16 -0.55 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 1bwm s TYR 388 Cb -0.11 -0.53 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1bwm s TYR 388 CO 0.05 -0.03 -0.24 0.12 -1.11 0.00 0.00 175.55 174.35 1bwm s PHE 389 N -1.74 2.26 -0.17 2.71 2.19 0.31 -2.58 117.98 120.97 1bwm s PHE 389 Ca -0.03 -0.62 0.01 0.00 0.33 0.00 0.00 56.93 56.63 1bwm s PHE 389 Cb -0.07 -1.48 0.01 0.00 -1.31 0.00 0.00 43.02 40.16 1bwm s PHE 389 CO 0.01 -0.17 -0.18 0.00 1.83 0.00 0.00 175.22 176.71 1bwm n ALA 391 N 4.41 -0.47 -2.53 0.00 0.00 -1.26 -3.33 120.51 117.32 1bwm n ALA 391 Ca -0.20 -1.03 -0.15 0.00 0.00 0.00 0.00 53.44 52.06 1bwm n ALA 391 Cb 0.51 0.83 -0.11 0.00 0.00 0.00 0.00 19.45 20.67 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 1.09 -0.29 0.00 0.00 -0.86 -4.38 121.76 115.11 1bwm s ALA 392 Ca 0.17 -1.14 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1bwm s ALA 392 Cb -0.01 0.01 0.47 0.00 0.00 0.00 0.00 23.12 23.59 1bwm s ALA 392 CO 0.12 -0.01 1.17 -2.37 0.00 0.00 0.00 175.76 174.67 1bwm n THR 393 N 0.70 2.28 0.23 0.00 5.66 -0.80 -1.42 114.28 120.93 1bwm n THR 393 Ca -0.17 -4.02 0.14 0.00 -3.05 0.00 0.00 64.05 56.95 1bwm n THR 393 Cb 0.57 -0.69 0.78 0.00 -1.55 0.00 0.00 70.33 69.44 1bwm n THR 393 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1bwm h GLY 399 N 2.29 0.00 -4.94 1.09 0.00 -1.82 -3.41 103.07 96.28 1bwm h GLY 399 Ca 0.27 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.93 1bwm h GLY 399 CO 0.66 0.00 -0.65 -0.56 0.00 0.00 0.00 176.54 176.00 1bwm s SER 400 N -6.36 5.09 0.47 0.19 0.01 -1.26 -4.79 113.70 107.05 1bwm s SER 400 Ca -0.05 0.00 -0.22 0.00 1.31 0.00 0.00 55.95 56.99 1bwm s SER 400 Cb 0.16 -1.33 -0.07 0.00 0.21 0.00 0.00 66.02 64.99 1bwm s SER 400 CO 0.61 0.29 1.15 0.72 0.41 0.00 0.00 173.24 176.42 1bwm s PHE 401 N -1.05 2.86 -0.85 2.43 -0.12 -1.26 -3.02 117.98 116.97 1bwm s PHE 401 Ca 0.18 1.54 -0.03 0.00 -0.05 0.00 0.00 56.93 58.58 1bwm s PHE 401 Cb -0.11 -3.34 0.02 0.00 -0.63 0.00 0.00 43.02 38.96 1bwm s PHE 401 CO 0.09 -1.45 0.13 0.09 -0.05 0.00 0.00 175.22 174.03 1bwm n ASN 402 N -0.64 -3.02 -3.14 1.98 3.02 -1.26 -4.86 115.26 107.35 1bwm n ASN 402 Ca 0.08 0.10 -0.04 0.00 -0.03 0.00 0.00 54.58 54.69 1bwm n ASN 402 Cb 0.49 -2.59 -0.02 0.00 -0.61 0.00 0.00 39.78 37.05 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1bwm s LYS 403 N -5.32 0.86 -0.19 3.52 2.36 -1.17 -5.08 119.74 114.73 1bwm s LYS 403 Ca 0.12 -0.59 -0.14 0.00 -2.55 0.00 0.00 55.97 52.81 1bwm s LYS 403 Cb -0.06 -0.10 -0.04 0.00 -1.05 0.00 0.00 37.83 36.57 1bwm s LYS 403 CO 0.15 -1.23 0.31 -1.17 1.55 0.00 0.00 175.35 174.96 1bwm s LEU 404 N 1.51 4.19 -0.43 5.43 0.20 -1.26 -4.11 118.68 124.20 1bwm s LEU 404 Ca 0.20 0.44 -0.21 0.00 0.69 0.00 0.00 54.13 55.25 1bwm s LEU 404 Cb -0.05 -2.38 0.02 0.00 -0.43 0.00 0.00 46.19 43.36 1bwm s LEU 404 CO -0.06 0.03 0.68 -0.89 -0.29 0.00 0.00 176.35 175.81 1bwm s THR 405 N 0.89 4.78 0.16 3.68 2.01 -0.51 -4.89 115.64 121.76 1bwm s THR 405 Ca 0.16 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.44 1bwm s THR 405 Cb -0.14 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1bwm s THR 405 CO 0.05 -0.61 0.14 0.72 -0.69 0.00 0.00 174.62 174.24 1bwm s PHE 406 N 2.94 3.18 -0.27 4.92 -0.12 -1.26 -2.02 117.98 125.35 1bwm s PHE 406 Ca 0.25 0.00 0.10 0.00 -0.05 0.00 0.00 56.93 57.23 1bwm s PHE 406 Cb -0.14 -1.53 0.46 0.00 -0.63 0.00 0.00 43.02 41.18 1bwm s PHE 406 CO 0.20 0.52 1.18 0.41 -0.05 0.00 0.00 175.22 177.48 1bwm n GLY 407 N -0.30 5.51 2.87 1.99 0.00 -1.21 -4.70 105.19 109.36 1bwm n GLY 407 Ca -0.08 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.72 -2.72 -1.00 4.61 0.00 -1.26 -3.76 120.51 115.65 1bwm n ALA 408 Ca 0.35 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.56 1bwm n ALA 408 Cb 0.91 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.45 -3.03 3.33 0.00 0.00 -1.23 -4.35 105.19 101.36 1bwm n GLY 409 Ca -0.11 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1bwm n GLY 409 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bwm s THR 410 N 0.00 0.07 -0.23 2.61 -4.23 -1.06 -4.87 115.64 107.92 1bwm s THR 410 Ca 0.00 -1.41 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 1bwm s THR 410 Cb 0.00 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 1bwm s THR 410 CO 0.00 -0.31 0.17 -0.60 -0.54 0.00 0.00 174.62 173.34 1bwm s ARG 411 N -3.97 4.10 -0.14 3.99 3.52 -1.26 -2.49 118.95 122.69 1bwm s ARG 411 Ca 0.17 -0.23 -0.13 0.00 -0.13 0.00 0.00 55.73 55.41 1bwm s ARG 411 Cb 0.03 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1bwm s ARG 411 CO -0.00 0.11 0.29 -0.51 -0.81 0.00 0.00 175.30 174.38 1bwm s LEU 412 N 0.92 4.28 -0.15 -0.88 2.01 0.11 -3.14 118.68 121.83 1bwm s LEU 412 Ca 0.08 0.55 0.02 0.00 0.01 0.00 0.00 54.13 54.79 1bwm s LEU 412 Cb -0.13 -2.37 0.01 0.00 0.01 0.00 0.00 46.19 43.71 1bwm s LEU 412 CO 0.03 0.14 -0.20 0.00 1.01 0.00 0.00 176.35 177.33 1bwm s ALA 413 N 0.20 2.31 -0.71 4.21 0.00 -0.94 -0.22 121.76 126.61 1bwm s ALA 413 Ca 0.17 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.09 1bwm s ALA 413 Cb -0.13 -1.06 0.22 0.00 0.00 0.00 0.00 23.12 22.15 1bwm s ALA 413 CO 0.05 -0.05 0.69 0.28 0.00 0.00 0.00 175.76 176.73 1bwm n VAL 414 N 4.10 2.28 0.00 0.00 0.31 -1.26 -2.01 118.33 121.75 1bwm n VAL 414 Ca -0.20 -5.11 0.00 0.00 -0.01 0.00 0.00 64.34 59.02 1bwm n VAL 414 Cb 0.51 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1bwm n VAL 414 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bwm n SER 415 N 1.42 0.00 -4.68 4.52 2.88 -0.62 -4.32 113.62 112.82 1bwm n SER 415 Ca 0.25 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.37 1bwm n SER 415 Cb 0.38 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 1bwm n SER 415 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1bwm s PRO 416 N 0.00 4.14 0.00 -1.46 0.04 -1.26 -4.60 135.00 131.86 1bwm s PRO 416 Ca 0.00 2.62 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1bwm s PRO 416 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1bwm s PRO 416 CO 0.00 -0.90 0.00 0.66 0.04 0.00 0.00 177.00 176.80