#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 2.43 -3.18 0.00 3.14 -1.26 -4.49 118.33 114.97 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 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 31.29 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 -0.14 0.00 -3.61 1.55 -2.24 -1.09 -4.12 114.28 104.63 1bwm n THR 5 Ca 0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.76 1bwm n THR 5 Cb 0.39 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.13 0.50 -0.60 -0.78 2.00 -1.24 -2.67 119.66 117.00 1bwm s GLN 6 Ca 0.00 0.33 -0.34 0.00 -2.00 0.00 0.00 55.36 53.35 1bwm s GLN 6 Cb 0.00 0.24 -0.15 0.00 0.80 0.00 0.00 33.01 33.89 1bwm s GLN 6 CO 0.00 -0.11 2.37 0.43 -0.50 0.00 0.00 175.29 177.48 1bwm n SER 7 N 1.41 1.32 -4.59 6.67 7.64 -0.74 -4.75 113.62 120.58 1bwm n SER 7 Ca -0.11 0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 1bwm n SER 7 Cb 0.57 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 1bwm n SER 7 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bwm s PRO 8 N 7.37 3.11 -0.30 1.43 0.05 -1.26 -4.80 135.00 140.60 1bwm s PRO 8 Ca 1.18 1.49 -0.09 0.00 0.05 0.00 0.00 61.00 63.63 1bwm s PRO 8 Cb -1.00 -4.29 0.18 0.00 0.05 0.00 0.00 34.50 29.44 1bwm s PRO 8 CO 0.49 -2.12 0.94 0.50 0.05 0.00 0.00 177.00 176.86 1bwm s ARG 9 N 6.17 0.27 -1.10 4.56 3.52 -1.26 -5.06 118.95 126.06 1bwm s ARG 9 Ca 0.85 0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 56.85 1bwm s ARG 9 Cb -0.24 0.23 0.28 0.00 -1.56 0.00 0.00 34.95 33.66 1bwm s ARG 9 CO 0.32 -0.35 1.91 -1.71 -0.81 0.00 0.00 175.30 174.66 1bwm n ASN 10 N 5.40 7.36 -4.71 -2.12 2.85 -1.26 -4.57 115.26 118.20 1bwm n ASN 10 Ca -0.02 -3.54 -0.23 0.00 -0.11 0.00 0.00 54.58 50.67 1bwm n ASN 10 Cb 0.54 -1.22 -0.07 0.00 1.24 0.00 0.00 39.78 40.27 1bwm n ASN 10 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1bwm s LYS 11 N -3.47 2.30 0.25 1.20 -0.14 -1.26 -5.02 119.74 113.60 1bwm s LYS 11 Ca 0.41 -1.61 0.07 0.00 -1.36 0.00 0.00 55.97 53.48 1bwm s LYS 11 Cb 0.17 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 34.18 1bwm s LYS 11 CO -0.10 0.11 0.23 0.08 -0.76 0.00 0.00 175.35 174.91 1bwm s VAL 12 N -2.45 4.55 0.31 3.17 1.01 -1.26 -4.33 120.40 121.40 1bwm s VAL 12 Ca 0.37 -1.34 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1bwm s VAL 12 Cb -0.02 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1bwm s VAL 12 CO 0.22 -0.34 0.04 0.00 0.00 0.00 0.00 175.10 175.01 1bwm s ALA 13 N -2.12 3.26 0.21 5.51 0.00 -0.85 -4.89 121.76 122.88 1bwm s ALA 13 Ca 0.33 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1bwm s ALA 13 Cb -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1bwm s ALA 13 CO 0.26 0.13 0.13 1.33 0.00 0.00 0.00 175.76 177.61 1bwm n VAL 14 N -0.98 0.00 -1.47 0.00 0.24 -1.26 -2.43 118.33 112.43 1bwm n VAL 14 Ca -0.05 -0.85 -0.57 0.00 -2.04 0.00 0.00 64.34 60.83 1bwm n VAL 14 Cb 0.61 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.92 0.13 -3.48 3.34 -1.04 0.47 0.40 114.28 113.18 1bwm n THR 15 Ca -0.02 -0.10 -0.20 0.00 -2.04 0.00 0.00 64.05 61.69 1bwm n THR 15 Cb 0.24 -1.06 0.08 0.00 -1.82 0.00 0.00 70.33 67.77 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 6.12 -0.42 0.00 3.41 0.00 -1.16 -4.86 105.19 108.28 1bwm n GLY 16 Ca 0.42 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.75 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 -1.49 -1.05 1.42 -0.02 0.00 0.16 -4.83 105.19 99.38 1bwm n GLY 17 Ca -0.16 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.08 -3.25 -3.71 1.61 4.01 -1.26 -4.84 118.16 109.65 1bwm n LYS 18 Ca 0.21 2.62 -0.16 0.00 -0.51 0.00 0.00 58.31 60.47 1bwm n LYS 18 Cb 0.14 -3.81 -0.16 0.00 -0.51 0.00 0.00 35.03 30.69 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1bwm s VAL 19 N -4.10 -0.13 -0.22 -0.18 1.01 -1.10 -4.88 120.40 110.81 1bwm s VAL 19 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1bwm s VAL 19 Cb 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 36.38 36.22 1bwm s VAL 19 CO 0.00 0.13 -0.15 -0.89 0.00 0.00 0.00 175.10 174.19 1bwm s THR 20 N 1.72 2.15 -0.05 3.92 2.01 -1.26 -0.68 115.64 123.45 1bwm s THR 20 Ca -0.02 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.69 1bwm s THR 20 Cb -0.12 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1bwm s THR 20 CO -0.04 0.24 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.35 1bwm s LEU 21 N 1.20 1.03 -0.28 4.42 1.43 -0.78 -4.89 118.68 120.80 1bwm s LEU 21 Ca -0.02 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 1bwm s LEU 21 Cb -0.17 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.65 1bwm s LEU 21 CO -0.09 -0.11 0.03 -0.44 0.23 0.00 0.00 176.35 175.97 1bwm s SER 22 N 1.34 4.84 -0.14 2.29 0.01 -1.26 -1.53 113.70 119.26 1bwm s SER 22 Ca -0.05 -0.84 -0.05 0.00 1.31 0.00 0.00 55.95 56.32 1bwm s SER 22 Cb -0.13 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1bwm s SER 22 CO -0.02 -0.19 0.02 0.00 0.41 0.00 0.00 173.24 173.47 1bwm s ASN 24 N -0.21 5.30 -0.16 0.00 -0.87 -1.09 -2.55 114.94 115.35 1bwm s ASN 24 Ca 0.06 -0.69 -0.07 0.00 -1.57 0.00 0.00 52.86 50.60 1bwm s ASN 24 Cb -0.12 -0.13 0.07 0.00 -0.02 0.00 0.00 41.25 41.05 1bwm s ASN 24 CO 0.02 -1.06 0.36 -1.58 -2.57 0.00 0.00 177.10 172.27 1bwm s GLN 25 N -4.50 0.29 -0.32 -0.60 0.74 -0.78 -2.67 119.66 111.83 1bwm s GLN 25 Ca 0.57 0.85 0.02 0.00 0.05 0.00 0.00 55.36 56.85 1bwm s GLN 25 Cb -0.07 0.10 0.14 0.00 1.10 0.00 0.00 33.01 34.27 1bwm s GLN 25 CO 0.35 -0.22 1.16 -2.37 -0.55 0.00 0.00 175.29 173.66 1bwm n THR 26 N 4.92 0.00 -1.45 -0.34 5.66 -1.26 -4.73 114.28 117.08 1bwm n THR 26 Ca -0.14 -0.65 0.02 0.00 -3.05 0.00 0.00 64.05 60.23 1bwm n THR 26 Cb 0.52 0.72 0.20 0.00 -1.55 0.00 0.00 70.33 70.22 1bwm n THR 26 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1bwm n ASN 27 N -0.23 2.20 -2.56 1.09 3.02 -1.26 -4.18 115.26 113.34 1bwm n ASN 27 Ca -0.21 -3.72 -0.14 0.00 -0.03 0.00 0.00 54.58 50.47 1bwm n ASN 27 Cb 0.68 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.12 -3.94 -4.07 6.41 5.15 -1.26 -4.93 115.26 111.50 1bwm n ASN 28 Ca 0.24 -0.37 -0.30 0.00 -0.60 0.00 0.00 54.58 53.56 1bwm n ASN 28 Cb 0.83 -3.51 -0.17 0.00 -0.53 0.00 0.00 39.78 36.41 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1bwm s HIS 29 N -3.22 2.15 -2.12 1.20 3.76 -1.26 -4.51 115.29 111.28 1bwm s HIS 29 Ca 0.26 -1.06 0.18 0.00 -0.15 0.00 0.00 55.06 54.29 1bwm s HIS 29 Cb -0.11 -1.53 0.84 0.00 1.11 0.00 0.00 32.58 32.89 1bwm s HIS 29 CO 0.48 -0.53 1.57 0.27 -0.85 0.00 0.00 174.74 175.68 1bwm n ASN 30 N 4.26 0.84 -3.70 1.40 0.23 -1.26 -4.76 115.26 112.26 1bwm n ASN 30 Ca -0.19 -1.61 -0.12 0.00 -0.53 0.00 0.00 54.58 52.13 1bwm n ASN 30 Cb 0.51 -0.06 -0.12 0.00 -2.08 0.00 0.00 39.78 38.03 1bwm n ASN 30 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1bwm s ASN 31 N -1.51 -0.20 0.08 0.53 2.47 -1.26 -4.62 114.94 110.44 1bwm s ASN 31 Ca 0.28 0.65 0.09 0.00 0.42 0.00 0.00 52.86 54.30 1bwm s ASN 31 Cb 0.14 0.61 -0.04 0.00 -1.45 0.00 0.00 41.25 40.51 1bwm s ASN 31 CO 0.22 -0.19 -0.22 -0.32 -3.72 0.00 0.00 177.10 172.87 1bwm s MET 32 N 1.61 1.79 0.22 0.43 -2.45 -0.42 -3.16 119.30 117.31 1bwm s MET 32 Ca -0.07 -1.14 0.10 0.00 -1.25 0.00 0.00 55.69 53.32 1bwm s MET 32 Cb -0.10 -2.06 -0.05 0.00 1.25 0.00 0.00 34.83 33.87 1bwm s MET 32 CO -0.10 0.50 -0.18 0.71 1.05 0.00 0.00 175.02 177.00 1bwm s TYR 33 N -0.99 1.97 -0.17 4.11 1.51 -0.58 -2.20 117.35 121.00 1bwm s TYR 33 Ca 0.15 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1bwm s TYR 33 Cb -0.10 -0.91 0.04 0.00 -0.11 0.00 0.00 41.96 40.87 1bwm s TYR 33 CO 0.06 0.48 -0.08 -0.46 -1.11 0.00 0.00 175.55 174.44 1bwm s TRP 34 N -2.51 1.99 0.40 2.71 -0.00 0.60 -2.52 118.94 119.62 1bwm s TRP 34 Ca 0.23 -1.27 0.05 0.00 -0.00 0.00 0.00 56.10 55.12 1bwm s TRP 34 Cb -0.04 -1.45 -0.07 0.00 -0.00 0.00 0.00 33.47 31.91 1bwm s TRP 34 CO 0.10 -0.66 0.03 0.71 -0.00 0.00 0.00 176.95 177.12 1bwm s TYR 35 N 1.54 2.27 -0.02 5.86 2.02 -1.10 -2.66 117.35 125.26 1bwm s TYR 35 Ca 0.01 -0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 55.84 1bwm s TYR 35 Cb -0.15 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1bwm s TYR 35 CO -0.08 0.28 0.14 0.50 -1.57 0.00 0.00 175.55 174.81 1bwm s ARG 36 N -3.78 0.37 -0.32 -0.62 3.52 -1.01 -2.65 118.95 114.47 1bwm s ARG 36 Ca 0.32 -0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 1bwm s ARG 36 Cb 0.08 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1bwm s ARG 36 CO 0.15 -0.08 1.34 -0.65 -0.81 0.00 0.00 175.30 175.25 1bwm s GLN 37 N -0.87 3.85 -1.10 5.12 -0.21 -0.84 -2.68 119.66 122.93 1bwm s GLN 37 Ca -0.10 1.21 -0.07 0.00 0.02 0.00 0.00 55.36 56.43 1bwm s GLN 37 Cb -0.05 -3.91 0.29 0.00 1.00 0.00 0.00 33.01 30.33 1bwm s GLN 37 CO 0.01 -1.21 1.23 -3.47 -2.12 0.00 0.00 175.29 169.73 1bwm n ASP 38 N 7.88 5.78 0.00 5.90 2.03 -1.26 -4.13 116.55 132.75 1bwm n ASP 38 Ca 0.15 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1bwm n ASP 38 Cb 0.47 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1bwm n THR 39 N 2.18 0.00 0.86 5.18 -1.04 -1.26 -2.34 114.28 117.87 1bwm n THR 39 Ca 0.25 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.39 1bwm n THR 39 Cb 0.37 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 69.29 1bwm n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 40 N 0.00 -1.46 0.47 3.41 0.00 -1.26 -3.86 105.19 102.48 1bwm n GLY 40 Ca 0.00 -0.17 0.27 0.00 0.00 0.00 0.00 46.02 46.12 1bwm n GLY 40 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1bwm h HIS 41 N 0.00 0.00 0.00 1.61 6.17 -1.80 -3.37 115.15 117.76 1bwm h HIS 41 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1bwm h HIS 41 Cb 0.58 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.51 1bwm h HIS 41 CO 0.00 0.00 0.00 0.41 0.71 0.00 0.00 177.93 179.05 1bwm n GLY 42 N -1.63 1.70 1.30 5.26 0.00 -1.24 0.71 105.19 111.28 1bwm n GLY 42 Ca 0.17 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 1bwm n GLY 42 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bwm n LEU 43 N 0.00 0.00 -3.30 0.99 7.94 -1.26 -4.27 117.00 117.10 1bwm n LEU 43 Ca 0.00 -0.57 0.03 0.00 -1.11 0.00 0.00 56.01 54.36 1bwm n LEU 43 Cb 0.00 1.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.94 1bwm n LEU 43 CO 0.00 -0.19 0.56 -0.60 -1.11 0.00 0.00 177.39 176.05 1bwm s ARG 44 N -2.02 0.28 0.48 1.96 3.52 -1.09 -4.62 118.95 117.47 1bwm s ARG 44 Ca 0.07 0.63 -0.21 0.00 -0.13 0.00 0.00 55.73 56.10 1bwm s ARG 44 Cb -0.01 0.37 -0.08 0.00 -1.56 0.00 0.00 34.95 33.67 1bwm s ARG 44 CO 0.02 -0.18 1.06 -1.17 -0.81 0.00 0.00 175.30 174.22 1bwm s LEU 45 N 2.64 3.88 0.00 -0.88 2.96 -1.26 -2.41 118.68 123.60 1bwm s LEU 45 Ca 0.00 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.90 1bwm s LEU 45 Cb -0.08 -4.50 0.00 0.00 0.50 0.00 0.00 46.19 42.11 1bwm s LEU 45 CO -0.16 -0.80 0.00 2.30 -1.32 0.00 0.00 176.35 176.37 1bwm n ILE 46 N -0.86 0.00 -3.68 6.68 -0.00 -1.09 -2.53 119.36 117.87 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 0.52 -0.14 -0.05 0.00 -0.00 0.00 0.00 39.64 39.96 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 -1.08 -0.13 -0.30 4.28 2.46 -1.20 0.16 115.29 119.48 1bwm s HIS 47 Ca 0.00 -0.20 -0.16 0.00 0.47 0.00 0.00 55.06 55.17 1bwm s HIS 47 Cb 0.00 0.19 0.17 0.00 -0.13 0.00 0.00 32.58 32.81 1bwm s HIS 47 CO 0.00 -0.66 1.07 1.52 -2.47 0.00 0.00 174.74 174.20 1bwm s TYR 48 N -3.75 -0.47 0.04 3.88 1.13 -1.26 -0.29 117.35 116.64 1bwm s TYR 48 Ca 0.03 0.86 0.00 0.00 -1.41 0.00 0.00 57.07 56.55 1bwm s TYR 48 Cb 0.02 0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1bwm s TYR 48 CO -0.11 -0.23 -0.04 -1.54 -2.51 0.00 0.00 175.55 171.11 1bwm s SER 49 N 1.88 0.56 0.00 -0.18 1.04 -0.93 -4.34 113.70 111.72 1bwm s SER 49 Ca -0.05 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1bwm s SER 49 Cb -0.04 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1bwm s SER 49 CO -0.15 -0.40 0.00 0.00 0.98 0.00 0.00 173.24 173.67 1bwm n TYR 50 N 0.88 0.00 -3.30 5.02 0.18 -1.26 -1.30 117.16 117.38 1bwm n TYR 50 Ca -0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.59 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 2.38 2.98 3.86 -7.48 0.00 -1.26 -4.59 105.19 101.08 1bwm n GLY 51 Ca 0.00 -2.15 -0.34 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 -2.00 3.67 -1.13 4.61 0.00 -1.26 -4.29 121.76 121.36 1bwm s ALA 52 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 1bwm s ALA 52 Cb 0.00 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1bwm s ALA 52 CO 0.00 0.54 0.94 0.41 0.00 0.00 0.00 175.76 177.65 1bwm n GLY 53 N 0.71 -0.34 2.55 0.00 0.00 -0.87 -4.93 105.19 102.31 1bwm n GLY 53 Ca -0.06 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.26 1.38 -0.08 1.61 0.01 -1.26 -5.08 113.70 106.02 1bwm s SER 54 Ca 0.01 -2.33 -0.04 0.00 1.31 0.00 0.00 55.95 54.90 1bwm s SER 54 Cb -0.00 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 1bwm s SER 54 CO 0.69 -0.21 0.10 0.42 0.41 0.00 0.00 173.24 174.65 1bwm s THR 55 N 0.74 5.05 0.04 1.44 -4.23 -1.26 -4.55 115.64 112.87 1bwm s THR 55 Ca 0.25 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1bwm s THR 55 Cb -0.08 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 1bwm s THR 55 CO -0.09 0.54 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.91 1bwm s GLU 56 N -1.21 0.49 0.20 3.99 2.02 -1.26 -5.07 118.70 117.86 1bwm s GLU 56 Ca 0.17 -0.89 -0.09 0.00 0.02 0.00 0.00 54.97 54.18 1bwm s GLU 56 Cb -0.12 0.18 -0.07 0.00 0.10 0.00 0.00 34.13 34.22 1bwm s GLU 56 CO 0.07 -0.09 0.51 0.15 0.02 0.00 0.00 175.26 175.92 1bwm s LYS 57 N -2.72 3.79 0.00 1.61 -0.14 -1.26 -4.09 119.74 116.93 1bwm s LYS 57 Ca -0.04 0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.80 1bwm s LYS 57 Cb -0.01 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1bwm s LYS 57 CO -0.05 0.37 0.00 0.41 -0.76 0.00 0.00 175.35 175.32 1bwm n GLY 58 N 0.05 1.39 0.00 -3.33 0.00 0.42 -4.80 105.19 98.92 1bwm n GLY 58 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 3.05 -2.98 1.61 2.03 -1.05 -4.76 116.55 114.45 1bwm n ASP 59 Ca 0.00 -0.11 -0.23 0.00 0.52 0.00 0.00 54.79 54.97 1bwm n ASP 59 Cb 0.00 1.22 -0.03 0.00 -0.72 0.00 0.00 41.12 41.59 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 -1.60 1.79 0.00 5.18 -6.64 -1.26 -5.09 119.36 111.73 1bwm n ILE 60 Ca -0.01 -5.07 0.00 0.00 -1.77 0.00 0.00 62.75 55.90 1bwm n ILE 60 Cb 0.14 -0.89 0.00 0.00 -1.44 0.00 0.00 39.64 37.45 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 -0.07 -0.43 -2.80 6.28 -0.01 -1.26 -4.73 135.00 131.98 1bwm n PRO 61 Ca 0.28 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.75 1bwm n PRO 61 Cb 0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 33.50 33.99 1bwm n PRO 61 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1bwm n ASP 62 N -1.58 -4.63 0.00 2.55 9.92 -1.26 -4.82 116.55 116.73 1bwm n ASP 62 Ca 0.00 1.19 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 1bwm n ASP 62 Cb 0.00 -4.17 0.00 0.00 -0.64 0.00 0.00 41.12 36.31 1bwm n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bwm n GLY 63 N 1.52 0.71 3.27 0.44 0.00 -1.26 -5.14 105.19 104.74 1bwm n GLY 63 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 0.98 0.27 1.61 -0.85 -1.26 -4.09 117.35 114.00 1bwm s TYR 65 Ca 0.00 -1.23 0.10 0.00 -0.52 0.00 0.00 57.07 55.42 1bwm s TYR 65 Cb 0.00 -0.40 -0.05 0.00 0.38 0.00 0.00 41.96 41.89 1bwm s TYR 65 CO 0.00 -0.70 -0.16 0.15 -1.52 0.00 0.00 175.55 173.31 1bwm s LYS 66 N -4.12 1.60 0.07 -3.49 -0.14 0.17 -4.98 119.74 108.85 1bwm s LYS 66 Ca 0.35 -1.75 -0.09 0.00 -1.36 0.00 0.00 55.97 53.12 1bwm s LYS 66 Cb 0.05 -1.56 0.00 0.00 -1.68 0.00 0.00 37.83 34.65 1bwm s LYS 66 CO 0.11 0.25 0.20 0.00 -0.76 0.00 0.00 175.35 175.15 1bwm s ALA 67 N -2.67 -0.32 -0.06 5.17 0.00 -1.26 -1.97 121.76 120.65 1bwm s ALA 67 Ca 0.28 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 1bwm s ALA 67 Cb -0.03 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1bwm s ALA 67 CO 0.13 -0.45 0.30 -1.54 0.00 0.00 0.00 175.76 174.20 1bwm s SER 68 N -2.52 -0.24 -0.43 0.00 1.04 -0.98 -5.01 113.70 105.56 1bwm s SER 68 Ca 0.01 0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.82 1bwm s SER 68 Cb 0.02 0.45 0.24 0.00 0.10 0.00 0.00 66.02 66.84 1bwm s SER 68 CO -0.08 -0.30 0.54 -1.14 0.98 0.00 0.00 173.24 173.24 1bwm n ARG 69 N 2.00 0.95 -0.21 4.02 3.00 -1.26 -2.68 116.66 122.48 1bwm n ARG 69 Ca -0.18 -3.46 -0.06 0.00 -0.00 0.00 0.00 57.85 54.16 1bwm n ARG 69 Cb 0.57 -1.43 0.04 0.00 0.00 0.00 0.00 32.46 31.64 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 4.20 0.78 0.00 -0.14 0.13 -1.99 -2.31 132.00 132.67 1bwm h PRO 70 Ca 0.11 -0.05 -0.44 0.00 -0.87 0.00 0.00 66.00 64.75 1bwm h PRO 70 Cb 0.85 -0.18 -0.07 0.00 0.13 0.00 0.00 31.00 31.73 1bwm h PRO 70 CO 0.51 0.51 -0.29 0.45 -0.23 0.00 0.00 178.00 178.96 1bwm n SER 71 N -4.68 2.72 0.13 1.44 2.88 -1.25 -4.57 113.62 110.29 1bwm n SER 71 Ca 0.05 -2.48 0.07 0.00 -1.33 0.00 0.00 58.87 55.18 1bwm n SER 71 Cb 0.03 0.15 0.04 0.00 -0.75 0.00 0.00 64.21 63.68 1bwm n SER 71 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1bwm h GLN 72 N 0.00 0.00 0.00 -1.46 4.15 -1.86 -3.37 115.11 112.57 1bwm h GLN 72 Ca -0.28 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.09 1bwm h GLN 72 Cb 0.90 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1bwm h GLN 72 CO 0.45 0.17 -1.56 0.39 -1.93 0.00 0.00 178.83 176.35 1bwm n GLU 73 N -2.96 0.91 -3.10 1.69 1.02 -1.26 -4.66 120.64 112.29 1bwm n GLU 73 Ca -0.00 -0.07 -0.40 0.00 -0.02 0.00 0.00 57.16 56.66 1bwm n GLU 73 Cb 0.64 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.75 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 -3.56 6.77 0.01 1.62 0.02 -1.26 -1.87 114.94 116.67 1bwm s ASN 74 Ca -0.04 0.94 -0.02 0.00 -1.02 0.00 0.00 52.86 52.71 1bwm s ASN 74 Cb 0.06 -2.37 -0.01 0.00 0.02 0.00 0.00 41.25 38.95 1bwm s ASN 74 CO 0.45 -0.23 0.03 0.12 0.02 0.00 0.00 177.10 177.49 1bwm s PHE 75 N 1.61 0.14 -0.00 2.20 5.36 -1.06 -3.93 117.98 122.30 1bwm s PHE 75 Ca 0.31 -0.30 -0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1bwm s PHE 75 Cb -0.16 -0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.40 1bwm s PHE 75 CO 0.12 -0.19 0.02 -1.12 -1.46 0.00 0.00 175.22 172.59 1bwm s SER 76 N -1.17 0.05 -0.05 6.13 0.01 -1.09 -1.90 113.70 115.69 1bwm s SER 76 Ca -0.13 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1bwm s SER 76 Cb -0.08 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.26 1bwm s SER 76 CO -0.00 -0.13 -0.07 -0.76 0.41 0.00 0.00 173.24 172.70 1bwm s LEU 77 N -0.53 1.45 0.10 2.44 2.01 -0.58 -2.32 118.68 121.25 1bwm s LEU 77 Ca -0.06 -0.17 -0.06 0.00 0.01 0.00 0.00 54.13 53.85 1bwm s LEU 77 Cb -0.04 -0.54 -0.02 0.00 0.01 0.00 0.00 46.19 45.60 1bwm s LEU 77 CO -0.00 -0.02 0.15 0.27 1.01 0.00 0.00 176.35 177.75 1bwm s ILE 78 N 0.79 0.14 0.35 -0.59 -0.00 -0.83 -1.86 121.20 119.19 1bwm s ILE 78 Ca -0.12 -1.44 0.09 0.00 -0.00 0.00 0.00 60.65 59.18 1bwm s ILE 78 Cb -0.14 -1.57 -0.06 0.00 -0.00 0.00 0.00 42.46 40.68 1bwm s ILE 78 CO 0.01 -0.62 -0.07 -0.76 -0.00 0.00 0.00 174.94 173.50 1bwm s LEU 79 N -2.92 2.80 -0.00 0.37 1.02 0.14 0.46 118.68 120.54 1bwm s LEU 79 Ca 0.10 -1.16 0.04 0.00 0.02 0.00 0.00 54.13 53.14 1bwm s LEU 79 Cb 0.05 -1.08 -0.05 0.00 0.02 0.00 0.00 46.19 45.13 1bwm s LEU 79 CO -0.07 -0.22 0.17 -0.62 0.02 0.00 0.00 176.35 175.63 1bwm n GLU 80 N -0.84 4.10 -3.53 1.70 -0.58 -1.26 -2.70 120.64 117.54 1bwm n GLU 80 Ca -0.05 -0.01 0.01 0.00 -0.42 0.00 0.00 57.16 56.69 1bwm n GLU 80 Cb 0.63 -0.82 -0.06 0.00 -0.57 0.00 0.00 31.44 30.63 1bwm n GLU 80 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1bwm s LEU 81 N -2.50 -0.29 0.21 -4.62 2.96 -1.26 -4.55 118.68 108.63 1bwm s LEU 81 Ca 0.01 0.44 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 1bwm s LEU 81 Cb 0.03 1.39 -0.05 0.00 0.50 0.00 0.00 46.19 48.07 1bwm s LEU 81 CO 0.18 -0.07 -0.19 0.00 -1.32 0.00 0.00 176.35 174.96 1bwm s ALA 82 N 1.55 2.30 0.33 5.97 0.00 -1.26 -4.93 121.76 125.72 1bwm s ALA 82 Ca -0.06 -1.67 0.09 0.00 0.00 0.00 0.00 51.96 50.32 1bwm s ALA 82 Cb -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1bwm s ALA 82 CO -0.14 0.23 0.01 0.95 0.00 0.00 0.00 175.76 176.81 1bwm s THR 83 N -2.38 2.69 0.00 0.00 -4.23 -1.26 -3.00 115.64 107.46 1bwm s THR 83 Ca 0.22 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1bwm s THR 83 Cb -0.04 -2.79 -0.07 0.00 1.34 0.00 0.00 72.50 70.93 1bwm s THR 83 CO 0.10 -0.22 1.39 -0.81 -0.54 0.00 0.00 174.62 174.54 1bwm n PRO 84 N -0.95 0.64 -0.33 3.99 -0.05 -1.20 -2.66 135.00 134.44 1bwm n PRO 84 Ca -0.04 -0.26 -0.01 0.00 -0.05 0.00 0.00 63.50 63.15 1bwm n PRO 84 Cb 0.62 -1.56 -0.01 0.00 -0.05 0.00 0.00 33.50 32.50 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 2.46 -0.09 0.00 3.54 2.88 -1.26 -4.93 113.62 116.21 1bwm n SER 85 Ca 0.11 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1bwm n SER 85 Cb 0.30 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.00 -1.46 -0.00 -1.09 -5.12 117.38 108.71 1bwm n GLN 86 Ca -0.03 -0.14 -0.15 0.00 -0.00 0.00 0.00 57.00 56.68 1bwm n GLN 86 Cb 0.21 -0.31 0.11 0.00 -0.00 0.00 0.00 30.24 30.25 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1bwm n THR 87 N 0.00 0.00 -3.60 -0.39 -1.04 -1.26 -4.94 114.28 103.04 1bwm n THR 87 Ca 0.00 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1bwm n THR 87 Cb 0.36 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 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 -3.44 0.00 -4.43 8.00 7.64 -1.07 -4.95 113.62 115.37 1bwm n SER 88 Ca 0.09 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.59 1bwm n SER 88 Cb 0.30 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 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 -3.04 4.38 -0.31 0.44 1.01 -1.26 -2.38 120.40 119.24 1bwm s VAL 89 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1bwm s VAL 89 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1bwm s VAL 89 CO 0.00 0.19 0.32 -0.31 0.00 0.00 0.00 175.10 175.30 1bwm s TYR 90 N 1.60 3.22 0.20 5.22 1.51 0.10 -2.00 117.35 127.21 1bwm s TYR 90 Ca 0.05 0.13 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1bwm s TYR 90 Cb -0.16 -2.57 -0.05 0.00 -0.11 0.00 0.00 41.96 39.07 1bwm s TYR 90 CO 0.05 -0.31 0.05 -0.59 -1.11 0.00 0.00 175.55 173.64 1bwm s PHE 91 N 1.96 1.30 -0.04 2.71 -0.71 -1.08 -2.28 117.98 119.83 1bwm s PHE 91 Ca 0.11 -1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 54.88 1bwm s PHE 91 Cb -0.16 -0.74 0.03 0.00 -1.21 0.00 0.00 43.02 40.94 1bwm s PHE 91 CO 0.11 -0.31 0.01 0.00 -1.34 0.00 0.00 175.22 173.69 1bwm s ALA 93 N 1.53 2.43 0.06 0.00 0.00 -1.05 -3.48 121.76 121.26 1bwm s ALA 93 Ca -0.03 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1bwm s ALA 93 Cb -0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1bwm s ALA 93 CO -0.03 0.55 -0.16 -1.12 0.00 0.00 0.00 175.76 175.00 1bwm s SER 94 N -1.76 1.96 0.15 0.00 0.01 -1.26 -1.53 113.70 111.27 1bwm s SER 94 Ca 0.14 -0.57 -0.19 0.00 1.31 0.00 0.00 55.95 56.64 1bwm s SER 94 Cb -0.10 -0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.07 1bwm s SER 94 CO 0.06 0.02 0.50 -0.83 0.41 0.00 0.00 173.24 173.40 1bwm s GLY 95 N -1.51 -0.42 -0.34 3.44 0.00 -1.19 -1.97 107.32 105.33 1bwm s GLY 95 Ca 0.02 0.19 -0.24 0.00 0.00 0.00 0.00 44.72 44.69 1bwm s GLY 95 CO 0.02 -0.08 0.82 -0.32 0.00 0.00 0.00 173.10 173.54 1bwm s GLY 96 N -2.78 1.66 0.22 0.20 0.00 -1.26 -4.11 107.32 101.24 1bwm s GLY 96 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1bwm s GLY 96 CO -0.12 1.82 0.00 -1.06 0.00 0.00 0.00 173.10 173.75 1bwm n GLN 97 N 6.40 -1.21 0.13 2.90 6.02 -1.26 -4.25 117.38 126.11 1bwm n GLN 97 Ca 0.04 0.97 -0.02 0.00 -0.01 0.00 0.00 57.00 57.98 1bwm n GLN 97 Cb 0.48 -1.42 0.14 0.00 1.02 0.00 0.00 30.24 30.47 1bwm n GLN 97 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1bwm h GLY 98 N -0.52 0.03 -4.99 1.08 0.00 -1.97 -3.28 103.07 93.42 1bwm h GLY 98 Ca -0.06 -0.04 -0.59 0.00 0.00 0.00 0.00 47.33 46.63 1bwm h GLY 98 CO 0.03 0.04 2.15 -2.13 0.00 0.00 0.00 176.54 176.62 1bwm n ARG 99 N -3.78 3.55 -3.89 4.80 0.00 -1.26 -4.86 116.66 111.21 1bwm n ARG 99 Ca -0.01 -2.47 -0.10 0.00 -0.00 0.00 0.00 57.85 55.27 1bwm n ARG 99 Cb 0.64 -2.51 -0.06 0.00 0.00 0.00 0.00 32.46 30.53 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 0.22 -0.28 0.39 5.13 0.00 -1.24 -5.04 121.76 120.94 1bwm s ALA 104 Ca 0.62 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 1bwm s ALA 104 Cb 0.24 0.85 -0.10 0.00 0.00 0.00 0.00 23.12 24.11 1bwm s ALA 104 CO -0.09 -0.69 0.86 -1.21 0.00 0.00 0.00 175.76 174.63 1bwm s GLU 105 N -3.94 4.11 0.06 0.00 2.02 -1.26 -4.92 118.70 114.77 1bwm s GLU 105 Ca 0.15 0.90 -0.04 0.00 0.02 0.00 0.00 54.97 56.00 1bwm s GLU 105 Cb 0.02 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.91 1bwm s GLU 105 CO -0.01 0.04 0.28 -0.65 0.02 0.00 0.00 175.26 174.93 1bwm s GLN 106 N -3.16 3.54 -0.54 1.61 -0.21 -1.26 -4.41 119.66 115.23 1bwm s GLN 106 Ca 0.58 -0.21 0.07 0.00 0.02 0.00 0.00 55.36 55.82 1bwm s GLN 106 Cb -0.10 -3.00 0.31 0.00 1.00 0.00 0.00 33.01 31.22 1bwm s GLN 106 CO 0.16 0.58 0.81 1.19 -2.12 0.00 0.00 175.29 175.91 1bwm n PHE 107 N 0.53 2.77 -1.09 0.91 3.72 -0.83 -4.41 117.46 119.07 1bwm n PHE 107 Ca -0.07 -3.96 -0.31 0.00 -0.05 0.00 0.00 57.45 53.06 1bwm n PHE 107 Cb 0.52 -0.48 0.12 0.00 -0.94 0.00 0.00 39.48 38.70 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1bwm s PHE 108 N -2.76 2.15 0.00 1.38 -0.12 -1.25 -4.37 117.98 113.01 1bwm s PHE 108 Ca 0.43 1.66 0.00 0.00 -0.05 0.00 0.00 56.93 58.97 1bwm s PHE 108 Cb 0.24 -3.22 0.00 0.00 -0.63 0.00 0.00 43.02 39.42 1bwm s PHE 108 CO -0.09 -2.27 0.00 0.41 -0.05 0.00 0.00 175.22 173.22 1bwm n GLY 109 N -0.44 1.25 3.58 1.99 0.00 -1.23 -4.93 105.19 105.40 1bwm n GLY 109 Ca 0.11 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1bwm n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bwm n PRO 110 N 0.00 1.78 -2.67 1.61 -0.01 -1.26 -4.85 135.00 129.60 1bwm n PRO 110 Ca 0.00 0.45 -0.41 0.00 -0.01 0.00 0.00 63.50 63.54 1bwm n PRO 110 Cb 0.00 -3.19 -0.05 0.00 -0.01 0.00 0.00 33.50 30.26 1bwm n PRO 110 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1bwm s GLY 111 N 8.66 3.00 -0.01 -1.23 0.00 -1.26 -4.50 107.32 111.98 1bwm s GLY 111 Ca 1.02 0.66 -0.19 0.00 0.00 0.00 0.00 44.72 46.21 1bwm s GLY 111 CO 0.36 1.44 0.54 -1.59 0.00 0.00 0.00 173.10 173.84 1bwm s THR 112 N -0.40 4.95 -0.20 0.90 2.01 -0.97 -4.91 115.64 117.02 1bwm s THR 112 Ca 0.46 1.12 -0.00 0.00 0.31 0.00 0.00 61.69 63.57 1bwm s THR 112 Cb -0.26 -3.87 0.05 0.00 0.01 0.00 0.00 72.50 68.44 1bwm s THR 112 CO 0.32 0.45 -0.03 0.00 -0.69 0.00 0.00 174.62 174.67 1bwm s ARG 113 N -0.35 1.35 0.04 4.92 3.03 -1.26 0.01 118.95 126.70 1bwm s ARG 113 Ca 0.28 -0.69 -0.01 0.00 2.03 0.00 0.00 55.73 57.35 1bwm s ARG 113 Cb -0.18 -2.27 -0.03 0.00 -1.03 0.00 0.00 34.95 31.44 1bwm s ARG 113 CO 0.16 -0.54 -0.03 -0.48 -1.13 0.00 0.00 175.30 173.27 1bwm s LEU 114 N 1.58 2.41 -0.04 -1.89 0.05 -1.00 -4.57 118.68 115.22 1bwm s LEU 114 Ca -0.02 -0.84 0.05 0.00 0.05 0.00 0.00 54.13 53.37 1bwm s LEU 114 Cb -0.17 0.16 -0.01 0.00 -2.05 0.00 0.00 46.19 44.12 1bwm s LEU 114 CO -0.07 -0.50 -0.18 -0.89 -0.55 0.00 0.00 176.35 174.16 1bwm s THR 115 N -3.10 1.52 -0.24 5.48 2.01 -1.26 -2.61 115.64 117.44 1bwm s THR 115 Ca -0.00 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 1bwm s THR 115 Cb 0.02 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1bwm s THR 115 CO -0.07 0.43 0.40 -0.69 -0.69 0.00 0.00 174.62 174.01 1bwm s VAL 116 N -0.06 5.17 0.33 3.82 1.01 -1.24 -2.01 120.40 127.42 1bwm s VAL 116 Ca -0.02 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1bwm s VAL 116 Cb -0.11 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1bwm s VAL 116 CO 0.02 0.19 0.60 -0.22 0.00 0.00 0.00 175.10 175.69 1bwm s LEU 116 N 1.77 3.98 0.00 3.92 0.20 -1.02 -3.23 118.68 124.29 1bwm s LEU 116 Ca 0.17 0.73 0.00 0.00 0.69 0.00 0.00 54.13 55.72 1bwm s LEU 116 Cb -0.15 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 1bwm s LEU 116 CO 0.09 -0.28 0.00 0.61 -0.29 0.00 0.00 176.35 176.48 1bwm n GLY 201 N -1.28 1.33 3.18 7.98 0.00 -1.26 0.18 105.19 115.31 1bwm n GLY 201 Ca -0.02 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 2.00 4.52 -1.42 1.61 0.15 -1.26 -4.95 113.70 114.35 1bwm s SER 202 Ca 0.00 -1.07 -0.15 0.00 0.70 0.00 0.00 55.95 55.43 1bwm s SER 202 Cb 0.00 -1.67 0.05 0.00 -1.71 0.00 0.00 66.02 62.69 1bwm s SER 202 CO 0.00 -0.18 2.12 -0.67 1.20 0.00 0.00 173.24 175.71 1bwm n ASP 203 N 4.63 4.12 -4.68 5.45 2.03 -1.26 -4.88 116.55 121.95 1bwm n ASP 203 Ca -0.15 -2.86 -0.42 0.00 0.52 0.00 0.00 54.79 51.88 1bwm n ASP 203 Cb 0.45 -1.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.14 1bwm n ASP 203 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1bwm s TYR 204 N 3.36 3.47 -0.76 -0.67 6.14 -1.26 -4.96 117.35 122.66 1bwm s TYR 204 Ca 0.48 1.38 -0.25 0.00 0.64 0.00 0.00 57.07 59.32 1bwm s TYR 204 Cb 0.12 -3.05 -0.04 0.00 0.42 0.00 0.00 41.96 39.41 1bwm s TYR 204 CO -0.05 -0.19 1.92 0.21 0.64 0.00 0.00 175.55 178.08 1bwm s LYS 205 N 1.93 2.57 0.59 4.97 2.20 -1.26 -4.96 119.74 125.77 1bwm s LYS 205 Ca 0.42 0.15 -0.10 0.00 -0.36 0.00 0.00 55.97 56.08 1bwm s LYS 205 Cb -0.17 -4.75 0.14 0.00 -1.51 0.00 0.00 37.83 31.54 1bwm s LYS 205 CO 0.15 -3.10 0.68 -0.25 -0.36 0.00 0.00 175.35 172.47 1bwm n ASP 206 N 13.52 -0.58 -4.31 1.43 8.00 -1.26 -5.05 116.55 128.30 1bwm n ASP 206 Ca 0.31 -1.11 -0.33 0.00 0.71 0.00 0.00 54.79 54.37 1bwm n ASP 206 Cb 0.49 -0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 40.89 1bwm n ASP 206 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1bwm s ASP 207 N -3.46 3.83 0.07 -2.24 1.01 -1.26 -5.10 116.67 109.52 1bwm s ASP 207 Ca 0.40 -0.41 -0.25 0.00 0.71 0.00 0.00 52.55 53.01 1bwm s ASP 207 Cb -0.02 -1.59 -0.06 0.00 1.01 0.00 0.00 42.92 42.26 1bwm s ASP 207 CO 0.29 0.11 0.76 -1.81 0.21 0.00 0.00 175.17 174.73 1bwm s ASP 208 N 0.65 7.24 -0.83 0.27 1.01 -1.26 -4.29 116.67 119.45 1bwm s ASP 208 Ca -0.07 1.48 -0.03 0.00 0.71 0.00 0.00 52.55 54.64 1bwm s ASP 208 Cb -0.16 -2.47 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 1bwm s ASP 208 CO 0.02 0.08 0.69 0.47 0.21 0.00 0.00 175.17 176.64 1bwm n ASP 209 N 2.46 -6.43 -3.60 0.27 8.00 -1.26 -5.01 116.55 110.98 1bwm n ASP 209 Ca -0.04 -0.53 -0.13 0.00 0.71 0.00 0.00 54.79 54.80 1bwm n ASP 209 Cb 0.50 -3.81 -0.07 0.00 -0.02 0.00 0.00 41.12 37.72 1bwm n ASP 209 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1bwm s LYS 210 N -4.12 0.77 0.35 -1.24 1.02 -1.26 -5.18 119.74 110.08 1bwm s LYS 210 Ca 0.08 0.62 0.04 0.00 0.02 0.00 0.00 55.97 56.73 1bwm s LYS 210 Cb -0.03 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1bwm s LYS 210 CO 0.81 -0.15 0.37 -0.98 -0.92 0.00 0.00 175.35 174.48 1bwm s ARG 211 N -0.21 1.87 -0.13 1.68 1.70 -1.26 -5.01 118.95 117.59 1bwm s ARG 211 Ca -0.02 -1.96 -0.29 0.00 -0.47 0.00 0.00 55.73 52.99 1bwm s ARG 211 Cb -0.03 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1bwm s ARG 211 CO 0.01 -0.73 1.40 -1.12 -1.08 0.00 0.00 175.30 173.78 1bwm s SER 212 N -3.34 6.84 0.00 -2.89 0.01 -1.26 -4.79 113.70 108.27 1bwm s SER 212 Ca 0.37 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.49 1bwm s SER 212 Cb 0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1bwm s SER 212 CO 0.26 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1bwm n GLY 213 N 3.82 0.07 3.42 3.44 0.00 -1.26 -5.12 105.19 109.55 1bwm n GLY 213 Ca 0.15 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 1bwm n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 214 N 0.00 1.66 -0.63 -0.02 0.00 -1.26 -5.08 107.32 101.98 1bwm s GLY 214 Ca 0.00 -1.56 -0.24 0.00 0.00 0.00 0.00 44.72 42.93 1bwm s GLY 214 CO 0.00 -1.56 0.99 -0.32 0.00 0.00 0.00 173.10 172.21 1bwm s GLY 215 N -2.40 1.33 -0.12 0.20 0.00 -1.26 -4.98 107.32 100.08 1bwm s GLY 215 Ca 0.18 -1.59 -0.02 0.00 0.00 0.00 0.00 44.72 43.29 1bwm s GLY 215 CO 0.08 2.13 0.01 -0.32 0.00 0.00 0.00 173.10 175.00 1bwm s GLY 216 N 3.41 0.57 0.17 0.20 0.00 -1.26 -4.99 107.32 105.41 1bwm s GLY 216 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.62 1bwm s GLY 216 CO 0.14 1.25 0.00 1.44 0.00 0.00 0.00 173.10 175.93 1bwm n SER 217 N 5.11 0.04 0.00 1.64 7.64 -1.26 -5.08 113.62 121.71 1bwm n SER 217 Ca -0.08 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1bwm n SER 217 Cb 0.49 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.84 1.92 0.00 0.23 0.00 -1.26 -4.97 105.19 102.96 1bwm n GLY 218 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.75 3.17 -0.02 0.00 -1.26 -5.15 105.19 102.68 1bwm n GLY 219 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1bwm n GLY 219 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 220 N -1.05 0.86 0.43 -0.02 0.00 -1.26 -5.14 107.32 101.15 1bwm s GLY 220 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.84 1bwm s GLY 220 CO 0.00 -0.65 0.82 -0.32 0.00 0.00 0.00 173.10 172.95 1bwm s GLY 221 N -0.47 1.95 -0.21 0.20 0.00 -1.26 -5.02 107.32 102.51 1bwm s GLY 221 Ca 0.07 -0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.49 1bwm s GLY 221 CO -0.00 0.08 -0.30 1.44 0.00 0.00 0.00 173.10 174.31 1bwm n SER 222 N -1.41 1.93 -1.19 1.64 7.64 -1.26 -5.11 113.62 115.86 1bwm n SER 222 Ca 0.03 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1bwm n SER 222 Cb 0.54 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1bwm n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwm n GLY 223 N 1.41 -4.43 2.68 0.23 0.00 -1.26 -5.06 105.19 98.76 1bwm n GLY 223 Ca -0.27 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 0.79 -1.34 0.74 -0.02 0.00 -1.26 -5.16 105.19 98.94 1bwm n GLY 224 Ca 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 46.02 46.81 1bwm n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 225 N 1.01 -0.42 0.00 1.61 3.41 -1.26 -5.11 113.62 112.86 1bwm n SER 225 Ca -0.01 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1bwm n SER 225 Cb 0.72 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 1bwm n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 226 N -0.11 0.17 0.00 5.00 0.00 -1.26 -5.24 105.19 103.75 1bwm n GLY 226 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -5.25 120.51 118.61 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 0.01 0.00 -0.06 -1.26 -5.22 117.38 110.85 1bwm n GLN 301 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1bwm n GLN 301 Cb 0.00 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1bwm n GLN 302 N 0.00 0.09 -1.76 3.69 1.13 -1.26 -4.50 117.38 114.77 1bwm n GLN 302 Ca 0.00 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 1bwm n GLN 302 Cb 0.00 -0.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.80 1bwm n GLN 302 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1bwm s VAL 303 N -1.79 2.52 -0.32 5.09 1.01 -1.25 -2.80 120.40 122.87 1bwm s VAL 303 Ca -0.05 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1bwm s VAL 303 Cb 0.01 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.43 1bwm s VAL 303 CO 0.07 0.00 0.23 -0.60 0.00 0.00 0.00 175.10 174.80 1bwm s ARG 304 N 2.37 0.39 1.05 2.72 3.52 -1.09 -4.03 118.95 123.88 1bwm s ARG 304 Ca 0.78 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 55.54 1bwm s ARG 304 Cb -0.46 -1.02 0.22 0.00 -1.56 0.00 0.00 34.95 32.13 1bwm s ARG 304 CO 0.35 -1.11 1.08 1.14 -0.81 0.00 0.00 175.30 175.95 1bwm s GLN 305 N 1.75 -0.00 -0.29 5.12 0.00 -1.25 -1.64 119.66 123.35 1bwm s GLN 305 Ca 0.13 1.10 -0.37 0.00 -0.00 0.00 0.00 55.36 56.22 1bwm s GLN 305 Cb -0.17 -1.64 -0.13 0.00 0.00 0.00 0.00 33.01 31.06 1bwm s GLN 305 CO -0.20 -3.18 1.98 0.45 0.00 0.00 0.00 175.29 174.34 1bwm n SER 306 N -4.57 2.36 -3.52 12.60 2.88 -1.01 -4.74 113.62 117.62 1bwm n SER 306 Ca 0.07 0.75 -0.43 0.00 -1.33 0.00 0.00 58.87 57.92 1bwm n SER 306 Cb 0.53 -1.22 -0.09 0.00 -0.75 0.00 0.00 64.21 62.68 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 6.94 0.52 0.00 -1.46 -0.05 -1.26 -3.02 135.00 136.66 1bwm n PRO 307 Ca 0.34 -1.27 0.00 0.00 -0.05 0.00 0.00 63.50 62.52 1bwm n PRO 307 Cb 0.19 -2.62 0.00 0.00 -0.05 0.00 0.00 33.50 31.02 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 7.54 0.00 0.00 0.54 6.02 -1.26 -5.15 117.38 125.07 1bwm n GLN 308 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1bwm n GLN 308 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 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 0.00 -0.92 -3.59 1.08 3.41 -1.17 -4.95 113.62 107.48 1bwm n SER 309 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1bwm n SER 309 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.23 0.00 1.04 0.20 -1.14 -4.97 118.68 113.58 1bwm s LEU 310 Ca 0.00 0.18 0.00 0.00 0.69 0.00 0.00 54.13 55.00 1bwm s LEU 310 Cb 0.00 1.58 0.00 0.00 -0.43 0.00 0.00 46.19 47.34 1bwm s LEU 310 CO 0.00 -0.27 0.00 1.07 -0.29 0.00 0.00 176.35 176.86 1bwm n THR 311 N 0.39 0.00 -4.13 3.68 5.66 -1.26 -2.00 114.28 116.63 1bwm n THR 311 Ca -0.05 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.84 1bwm n THR 311 Cb 0.59 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.28 1bwm n THR 311 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1bwm s VAL 312 N 0.05 0.02 -0.72 1.08 1.01 0.20 -4.69 120.40 117.34 1bwm s VAL 312 Ca 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 61.98 60.29 1bwm s VAL 312 Cb 0.00 -2.31 0.55 0.00 0.00 0.00 0.00 36.38 34.62 1bwm s VAL 312 CO 0.00 -0.09 1.36 1.87 0.00 0.00 0.00 175.10 178.24 1bwm n TRP 313 N -0.26 1.32 -2.27 5.22 -0.00 -1.26 0.12 117.44 120.29 1bwm n TRP 313 Ca -0.01 -0.47 -0.00 0.00 -0.00 0.00 0.00 57.50 57.02 1bwm n TRP 313 Cb 0.64 -0.33 -0.00 0.00 -0.00 0.00 0.00 31.31 31.63 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1bwm n GLU 314 N 0.52 -4.83 -2.95 5.87 0.00 -1.26 -4.53 120.64 113.45 1bwm n GLU 314 Ca 0.19 3.55 -0.14 0.00 0.00 0.00 0.00 57.16 60.75 1bwm n GLU 314 Cb 0.83 -4.47 0.04 0.00 0.00 0.00 0.00 31.44 27.83 1bwm n GLU 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bwm n GLY 315 N 1.70 -0.02 0.00 8.31 0.00 -1.26 -5.00 105.19 108.93 1bwm n GLY 315 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1bwm n GLY 315 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bwm n GLU 316 N -3.03 0.68 -3.95 1.61 4.07 -1.26 -4.75 120.64 114.00 1bwm n GLU 316 Ca -0.03 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.80 1bwm n GLU 316 Cb 0.56 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.90 1bwm n GLU 316 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1bwm s THR 317 N -0.04 5.26 0.20 6.31 2.01 -1.26 -3.03 115.64 125.09 1bwm s THR 317 Ca 0.00 -0.68 0.11 0.00 0.31 0.00 0.00 61.69 61.43 1bwm s THR 317 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1bwm s THR 317 CO 0.00 -0.06 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.77 1bwm s THR 318 N -1.71 2.55 -0.20 -0.82 2.01 -0.19 -4.61 115.64 112.66 1bwm s THR 318 Ca 0.34 -1.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.34 1bwm s THR 318 Cb -0.11 -2.24 0.06 0.00 0.01 0.00 0.00 72.50 70.22 1bwm s THR 318 CO 0.28 -0.14 0.02 -0.63 -0.69 0.00 0.00 174.62 173.46 1bwm s ILE 319 N -1.75 0.66 0.33 1.82 1.09 -1.26 -2.63 121.20 119.46 1bwm s ILE 319 Ca 0.22 -0.65 0.07 0.00 -1.10 0.00 0.00 60.65 59.20 1bwm s ILE 319 Cb -0.08 -1.13 -0.02 0.00 -1.06 0.00 0.00 42.46 40.16 1bwm s ILE 319 CO 0.11 -0.19 0.33 -0.76 -0.10 0.00 0.00 174.94 174.33 1bwm s LEU 320 N 1.80 3.68 -0.02 2.97 1.02 -1.08 -4.95 118.68 122.08 1bwm s LEU 320 Ca -0.02 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 1bwm s LEU 320 Cb -0.17 -2.32 0.00 0.00 0.02 0.00 0.00 46.19 43.72 1bwm s LEU 320 CO -0.08 -0.37 0.09 0.20 0.02 0.00 0.00 176.35 176.22 1bwm s ASN 321 N -4.03 -0.03 0.06 2.29 -0.87 -1.26 -2.39 114.94 108.71 1bwm s ASN 321 Ca 0.42 0.02 0.02 0.00 -1.57 0.00 0.00 52.86 51.74 1bwm s ASN 321 Cb -0.07 0.19 -0.03 0.00 -0.02 0.00 0.00 41.25 41.33 1bwm s ASN 321 CO 0.27 -0.14 -0.08 0.00 -2.57 0.00 0.00 177.10 174.58 1bwm n SER 323 N 1.10 2.76 -3.64 0.00 2.88 -0.65 -1.56 113.62 114.51 1bwm n SER 323 Ca -0.20 -2.82 -0.07 0.00 -1.33 0.00 0.00 58.87 54.45 1bwm n SER 323 Cb 0.56 0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 64.35 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 -2.56 -0.70 -0.20 0.66 1.13 -1.15 -2.67 117.35 111.86 1bwm s TYR 324 Ca 0.03 1.51 0.12 0.00 -1.41 0.00 0.00 57.07 57.32 1bwm s TYR 324 Cb 0.00 0.41 0.41 0.00 -1.10 0.00 0.00 41.96 41.68 1bwm s TYR 324 CO 0.02 -0.34 1.22 0.39 -2.51 0.00 0.00 175.55 174.33 1bwm n GLU 325 N 3.25 1.57 -4.32 -3.49 1.02 -1.12 -4.93 120.64 112.61 1bwm n GLU 325 Ca -0.16 -3.26 -0.17 0.00 -0.02 0.00 0.00 57.16 53.55 1bwm n GLU 325 Cb 0.57 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 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 -3.21 1.79 -0.02 1.62 -1.08 -1.26 -4.90 116.67 109.61 1bwm s ASP 326 Ca 0.38 -1.20 0.18 0.00 -0.52 0.00 0.00 52.55 51.38 1bwm s ASP 326 Cb 0.36 0.01 0.32 0.00 -1.46 0.00 0.00 42.92 42.16 1bwm s ASP 326 CO -0.06 -0.50 1.13 -0.24 0.52 0.00 0.00 175.17 176.02 1bwm n SER 327 N -0.39 0.86 -0.46 -0.34 2.88 -1.26 -4.81 113.62 110.09 1bwm n SER 327 Ca -0.05 -2.20 0.07 0.00 -1.33 0.00 0.00 58.87 55.36 1bwm n SER 327 Cb 0.64 -0.30 0.18 0.00 -0.75 0.00 0.00 64.21 63.98 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1bwm n THR 328 N 0.17 2.00 -4.29 2.46 5.66 -1.26 -5.03 114.28 113.99 1bwm n THR 328 Ca 0.06 -2.81 -0.26 0.00 -3.05 0.00 0.00 64.05 57.99 1bwm n THR 328 Cb 0.98 -0.19 -0.09 0.00 -1.55 0.00 0.00 70.33 69.49 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 -2.97 2.66 -0.23 1.09 0.08 -1.26 -4.67 117.98 112.68 1bwm s PHE 329 Ca 0.35 -0.22 -0.17 0.00 0.12 0.00 0.00 56.93 57.02 1bwm s PHE 329 Cb 0.34 -1.26 -0.17 0.00 -0.57 0.00 0.00 43.02 41.35 1bwm s PHE 329 CO -0.04 0.55 0.03 -3.47 -0.10 0.00 0.00 175.22 172.19 1bwm n ASP 330 N -0.25 1.92 -3.07 1.36 2.03 -0.80 -4.92 116.55 112.81 1bwm n ASP 330 Ca -0.09 0.36 -0.14 0.00 0.52 0.00 0.00 54.79 55.43 1bwm n ASP 330 Cb 0.57 -0.89 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 1bwm n ASP 330 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1bwm s TYR 331 N -2.43 0.93 -0.37 -0.67 -0.85 -1.16 -4.71 117.35 108.09 1bwm s TYR 331 Ca -0.32 -1.24 0.02 0.00 -0.52 0.00 0.00 57.07 55.01 1bwm s TYR 331 Cb 0.09 0.10 0.11 0.00 0.38 0.00 0.00 41.96 42.64 1bwm s TYR 331 CO 0.57 -1.26 0.12 -0.06 -1.52 0.00 0.00 175.55 173.41 1bwm s PHE 332 N -2.76 2.69 -0.60 -3.49 0.08 -1.26 -2.17 117.98 110.46 1bwm s PHE 332 Ca 0.28 -2.49 -0.26 0.00 0.12 0.00 0.00 56.93 54.58 1bwm s PHE 332 Cb -0.02 -2.32 -0.10 0.00 -0.57 0.00 0.00 43.02 40.01 1bwm s PHE 332 CO 0.20 -0.87 2.42 -0.35 -0.10 0.00 0.00 175.22 176.52 1bwm n PRO 333 N 4.20 0.86 -1.69 0.24 -0.04 -1.21 -3.61 135.00 133.75 1bwm n PRO 333 Ca 0.03 -0.29 -0.17 0.00 -0.04 0.00 0.00 63.50 63.04 1bwm n PRO 333 Cb 0.40 -3.49 -0.07 0.00 -0.04 0.00 0.00 33.50 30.29 1bwm n PRO 333 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1bwm s TRP 334 N 13.01 1.31 0.76 0.54 0.52 -0.91 -4.21 118.94 129.95 1bwm s TRP 334 Ca 0.97 1.74 -0.13 0.00 0.02 0.00 0.00 56.10 58.70 1bwm s TRP 334 Cb -0.18 -3.55 0.18 0.00 -1.15 0.00 0.00 33.47 28.77 1bwm s TRP 334 CO 0.21 -1.42 0.89 0.66 0.02 0.00 0.00 176.95 177.31 1bwm n TYR 335 N 17.84 -3.88 -3.64 -1.98 4.01 -0.53 -2.64 117.16 126.35 1bwm n TYR 335 Ca 0.45 -0.79 -0.08 0.00 -0.16 0.00 0.00 57.90 57.32 1bwm n TYR 335 Cb 0.45 -0.76 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 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 -4.97 1.29 -0.20 -0.72 3.52 -0.97 -0.83 118.95 116.07 1bwm s ARG 336 Ca 0.53 -0.62 -0.10 0.00 -0.13 0.00 0.00 55.73 55.41 1bwm s ARG 336 Cb -0.03 0.50 0.07 0.00 -1.56 0.00 0.00 34.95 33.94 1bwm s ARG 336 CO 0.38 -0.58 0.48 -1.14 -0.81 0.00 0.00 175.30 173.63 1bwm s GLN 337 N -3.54 0.46 0.25 5.12 0.74 0.66 -2.29 119.66 121.06 1bwm s GLN 337 Ca 0.07 0.96 0.02 0.00 0.05 0.00 0.00 55.36 56.46 1bwm s GLN 337 Cb -0.02 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.17 1bwm s GLN 337 CO -0.03 -0.18 0.41 -0.06 -0.55 0.00 0.00 175.29 174.89 1bwm s PHE 338 N 1.75 3.48 0.45 1.67 0.40 -1.20 -2.35 117.98 122.19 1bwm s PHE 338 Ca -0.08 0.20 0.13 0.00 -0.60 0.00 0.00 56.93 56.58 1bwm s PHE 338 Cb -0.09 -1.75 1.02 0.00 0.51 0.00 0.00 43.02 42.72 1bwm s PHE 338 CO -0.15 0.35 2.03 -1.35 0.70 0.00 0.00 175.22 176.80 1bwm h PRO 339 N 1.40 0.10 0.00 0.24 0.11 -1.90 -3.36 132.00 128.58 1bwm h PRO 339 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1bwm h PRO 339 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1bwm h PRO 339 CO 0.64 0.19 -1.02 0.41 -0.21 0.00 0.00 178.00 178.01 1bwm n GLY 340 N -1.17 -0.01 3.76 -0.55 0.00 -1.26 -5.03 105.19 100.92 1bwm n GLY 340 Ca -0.02 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1bwm n GLY 340 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwm s LYS 341 N -2.01 3.34 0.44 1.61 2.47 -1.26 -4.96 119.74 119.37 1bwm s LYS 341 Ca -0.01 1.99 -0.23 0.00 -1.56 0.00 0.00 55.97 56.15 1bwm s LYS 341 Cb 0.00 -2.25 -0.08 0.00 -1.46 0.00 0.00 37.83 34.04 1bwm s LYS 341 CO 0.01 -0.95 1.13 -1.12 0.16 0.00 0.00 175.35 174.58 1bwm s SER 342 N -1.23 6.33 1.36 1.43 0.01 -1.26 -3.23 113.70 117.11 1bwm s SER 342 Ca 0.70 2.23 -0.19 0.00 1.31 0.00 0.00 55.95 60.00 1bwm s SER 342 Cb -0.34 -2.60 0.30 0.00 0.21 0.00 0.00 66.02 63.59 1bwm s SER 342 CO 0.40 -0.80 0.70 -0.81 0.41 0.00 0.00 173.24 173.14 1bwm n PRO 343 N -0.38 -4.12 0.00 12.44 -0.04 -1.26 -4.60 135.00 137.04 1bwm n PRO 343 Ca 0.07 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1bwm n PRO 343 Cb 0.48 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1bwm n PRO 343 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bwm n ALA 344 N -5.16 0.00 -1.98 0.55 0.00 -0.97 -4.93 120.51 108.02 1bwm n ALA 344 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 1bwm n ALA 344 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 1bwm n ALA 344 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bwm s LEU 345 N 0.00 4.25 -0.02 0.00 0.20 -1.26 -2.29 118.68 119.55 1bwm s LEU 345 Ca 0.00 1.54 -0.02 0.00 0.69 0.00 0.00 54.13 56.34 1bwm s LEU 345 Cb 0.00 -3.90 -0.01 0.00 -0.43 0.00 0.00 46.19 41.85 1bwm s LEU 345 CO 0.00 -0.08 -0.04 0.18 -0.29 0.00 0.00 176.35 176.12 1bwm n LEU 346 N 0.34 0.29 0.00 -0.68 4.77 -1.08 -4.88 117.00 115.76 1bwm n LEU 346 Ca 0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1bwm n LEU 346 Cb 0.51 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1bwm n LEU 346 CO 0.42 -0.48 0.00 2.30 -1.33 0.00 0.00 177.39 178.30 1bwm n ILE 347 N -2.79 0.00 -3.66 -0.08 -0.00 -1.25 -5.01 119.36 106.57 1bwm n ILE 347 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.62 1bwm n ILE 347 Cb 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 39.59 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 -1.47 -0.86 0.49 -1.28 0.00 -1.26 -2.15 121.76 115.22 1bwm s ALA 348 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1bwm s ALA 348 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1bwm s ALA 348 CO 0.00 -0.67 0.00 0.44 0.00 0.00 0.00 175.76 175.53 1bwm n ILE 349 N 5.30 0.00 -0.65 0.00 -5.35 -1.24 -4.88 119.36 112.54 1bwm n ILE 349 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 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 -3.37 7.28 2.88 -1.26 -4.19 113.62 114.96 1bwm n SER 350 Ca 0.00 -0.20 -0.19 0.00 -1.33 0.00 0.00 58.87 57.16 1bwm n SER 350 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 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 -4.86 0.00 2.46 0.00 -1.26 -4.93 117.00 108.41 1bwm n LEU 351 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 56.01 55.25 1bwm n LEU 351 Cb 0.05 -3.03 0.00 0.00 0.00 0.00 0.00 43.42 40.44 1bwm n LEU 351 CO 0.00 0.21 -0.18 0.55 0.00 0.00 0.00 177.39 177.97 1bwm n VAL 352 N -3.54 0.00 -4.04 1.96 3.14 -1.26 -5.08 118.33 109.51 1bwm n VAL 352 Ca -0.11 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.97 1bwm n VAL 352 Cb 0.62 -0.24 -0.06 0.00 -1.06 0.00 0.00 33.84 33.10 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 -2.74 5.67 0.58 6.55 0.01 -1.26 -4.98 113.70 117.53 1bwm s SER 353 Ca 0.00 0.06 0.38 0.00 1.31 0.00 0.00 55.95 57.70 1bwm s SER 353 Cb 0.00 -1.57 1.93 0.00 0.21 0.00 0.00 66.02 66.59 1bwm s SER 353 CO 0.00 0.19 2.15 0.78 0.41 0.00 0.00 173.24 176.77 1bwm h ASN 354 N 3.39 0.00 -5.03 2.44 4.21 -1.93 -3.37 115.58 115.30 1bwm h ASN 354 Ca -0.47 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 56.97 1bwm h ASN 354 Cb 1.17 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.20 1bwm h ASN 354 CO 0.67 0.00 -0.03 -1.59 -1.29 0.00 0.00 177.43 175.19 1bwm s LYS 355 N -3.91 0.99 -0.30 0.81 -2.85 -1.26 -0.94 119.74 112.28 1bwm s LYS 355 Ca -0.03 -0.30 -0.09 0.00 -1.00 0.00 0.00 55.97 54.56 1bwm s LYS 355 Cb 0.11 0.45 0.14 0.00 -2.06 0.00 0.00 37.83 36.46 1bwm s LYS 355 CO 0.42 -0.35 0.64 0.21 0.10 0.00 0.00 175.35 176.37 1bwm s LYS 356 N -2.48 0.58 -0.21 1.78 2.47 0.13 -4.96 119.74 117.04 1bwm s LYS 356 Ca -0.05 1.39 -0.10 0.00 -1.56 0.00 0.00 55.97 55.65 1bwm s LYS 356 Cb -0.01 0.83 -0.05 0.00 -1.46 0.00 0.00 37.83 37.14 1bwm s LYS 356 CO -0.02 -0.26 0.13 -1.83 0.16 0.00 0.00 175.35 173.53 1bwm s GLU 357 N 2.89 4.15 -0.57 4.03 -1.05 -1.26 -0.90 118.70 125.99 1bwm s GLU 357 Ca -0.02 -0.24 0.06 0.00 -0.15 0.00 0.00 54.97 54.63 1bwm s GLU 357 Cb -0.12 -3.44 0.29 0.00 -0.44 0.00 0.00 34.13 30.42 1bwm s GLU 357 CO -0.19 0.24 0.80 -3.47 0.95 0.00 0.00 175.26 173.59 1bwm n ASP 358 N 3.70 3.49 0.00 0.83 -0.08 -1.08 -4.93 116.55 118.48 1bwm n ASP 358 Ca -0.16 -3.44 0.00 0.00 -1.51 0.00 0.00 54.79 49.69 1bwm n ASP 358 Cb 0.52 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bwm n GLY 359 N 0.44 2.24 1.77 0.27 0.00 -1.26 -4.72 105.19 103.93 1bwm n GLY 359 Ca 0.29 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1bwm n GLY 359 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bwm n ARG 361 N 0.00 0.00 -1.43 1.61 0.63 -1.26 -5.10 116.66 111.11 1bwm n ARG 361 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1bwm n ARG 361 Cb 0.00 -0.12 0.11 0.00 0.45 0.00 0.00 32.46 32.90 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 1bwm s PHE 362 N -2.00 2.64 -0.12 -0.14 -0.12 -1.26 -4.88 117.98 112.09 1bwm s PHE 362 Ca 0.00 1.17 -0.04 0.00 -0.05 0.00 0.00 56.93 58.01 1bwm s PHE 362 Cb 0.00 -3.15 0.05 0.00 -0.63 0.00 0.00 43.02 39.29 1bwm s PHE 362 CO 0.00 -2.02 0.08 -0.08 -0.05 0.00 0.00 175.22 173.15 1bwm s THR 363 N -3.09 -0.07 0.24 -4.49 -1.32 -0.90 -2.63 115.64 103.39 1bwm s THR 363 Ca 0.62 0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.85 1bwm s THR 363 Cb -0.16 -0.43 -0.09 0.00 -1.51 0.00 0.00 72.50 70.31 1bwm s THR 363 CO 0.55 -0.10 1.06 -0.63 -2.21 0.00 0.00 174.62 173.29 1bwm s ILE 364 N 2.14 3.73 0.36 5.08 1.09 -0.08 -2.68 121.20 130.83 1bwm s ILE 364 Ca 0.03 1.67 0.08 0.00 -1.10 0.00 0.00 60.65 61.33 1bwm s ILE 364 Cb -0.15 -4.06 -0.05 0.00 -1.06 0.00 0.00 42.46 37.14 1bwm s ILE 364 CO -0.07 0.37 0.07 -0.36 -0.10 0.00 0.00 174.94 174.85 1bwm s PHE 365 N -0.93 2.59 -0.23 3.97 0.40 0.16 -0.69 117.98 123.25 1bwm s PHE 365 Ca 0.45 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 1bwm s PHE 365 Cb -0.30 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 41.67 1bwm s PHE 365 CO 0.37 0.39 -0.07 0.12 0.70 0.00 0.00 175.22 176.73 1bwm s PHE 366 N -2.52 2.58 -0.48 0.36 5.36 -0.11 -2.15 117.98 121.02 1bwm s PHE 366 Ca 0.37 -1.84 -0.21 0.00 -0.96 0.00 0.00 56.93 54.28 1bwm s PHE 366 Cb 0.01 -1.66 0.04 0.00 -0.34 0.00 0.00 43.02 41.06 1bwm s PHE 366 CO 0.21 -0.79 0.69 -0.80 -1.46 0.00 0.00 175.22 173.06 1bwm s ASN 367 N 1.33 6.30 0.04 6.13 0.02 -0.26 -4.79 114.94 123.71 1bwm s ASN 367 Ca -0.06 -0.51 -0.18 0.00 -1.02 0.00 0.00 52.86 51.09 1bwm s ASN 367 Cb -0.19 -2.33 -0.18 0.00 0.02 0.00 0.00 41.25 38.58 1bwm s ASN 367 CO -0.06 -0.89 1.24 0.11 0.02 0.00 0.00 177.10 177.52 1bwm h LYS 368 N 8.98 0.51 -0.18 -0.60 1.57 -1.96 1.36 116.57 126.26 1bwm h LYS 368 Ca -0.26 -0.40 0.05 0.00 -1.87 0.00 0.00 60.65 58.17 1bwm h LYS 368 Cb 1.09 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1bwm h LYS 368 CO 0.95 1.03 0.16 0.00 -0.57 0.00 0.00 179.45 181.02 1bwm h ARG 369 N 0.11 0.00 -0.00 3.15 2.47 -1.98 -2.39 114.38 115.73 1bwm h ARG 369 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1bwm h ARG 369 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1bwm h ARG 369 CO 0.10 0.00 -0.10 0.39 0.56 0.00 0.00 179.97 180.92 1bwm n GLU 370 N -4.07 3.35 -3.75 0.04 -0.58 -1.17 -5.02 120.64 109.44 1bwm n GLU 370 Ca 0.01 -0.29 -0.23 0.00 -0.42 0.00 0.00 57.16 56.23 1bwm n GLU 370 Cb 0.29 -0.83 0.03 0.00 -0.57 0.00 0.00 31.44 30.36 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1bwm n LYS 371 N -0.56 -5.00 -4.13 3.49 3.00 0.46 -4.99 118.16 110.43 1bwm n LYS 371 Ca 0.01 0.61 -0.11 0.00 -0.00 0.00 0.00 58.31 58.82 1bwm n LYS 371 Cb 0.07 -5.22 -0.10 0.00 0.00 0.00 0.00 35.03 29.78 1bwm n LYS 371 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1bwm s LYS 372 N -6.12 0.72 -0.28 1.64 1.02 -0.89 -4.65 119.74 111.18 1bwm s LYS 372 Ca 0.13 -1.15 -0.09 0.00 0.02 0.00 0.00 55.97 54.89 1bwm s LYS 372 Cb -0.07 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.02 1bwm s LYS 372 CO 0.82 -0.00 0.12 -0.51 -0.92 0.00 0.00 175.35 174.85 1bwm s LEU 373 N -2.59 3.79 -0.26 3.17 1.43 -0.60 -1.11 118.68 122.52 1bwm s LEU 373 Ca 0.05 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1bwm s LEU 373 Cb 0.01 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1bwm s LEU 373 CO -0.04 -0.11 0.03 -0.94 0.23 0.00 0.00 176.35 175.52 1bwm s SER 374 N 1.62 4.80 0.00 2.29 1.04 -0.91 -1.69 113.70 120.85 1bwm s SER 374 Ca 0.05 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 1bwm s SER 374 Cb -0.16 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1bwm s SER 374 CO 0.05 -0.10 0.16 -0.22 0.98 0.00 0.00 173.24 174.11 1bwm s LEU 375 N 1.50 4.27 -0.04 2.42 0.20 -1.01 0.38 118.68 126.40 1bwm s LEU 375 Ca 0.04 0.29 0.06 0.00 0.69 0.00 0.00 54.13 55.21 1bwm s LEU 375 Cb -0.16 -2.58 -0.01 0.00 -0.43 0.00 0.00 46.19 43.01 1bwm s LEU 375 CO 0.00 0.25 -0.23 -1.00 -0.29 0.00 0.00 176.35 175.08 1bwm s HIS 376 N -1.32 2.23 -0.03 5.38 3.76 -1.09 -2.65 115.29 121.56 1bwm s HIS 376 Ca 0.27 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1bwm s HIS 376 Cb -0.13 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.13 1bwm s HIS 376 CO 0.19 -0.16 -0.00 -1.50 -0.85 0.00 0.00 174.74 172.42 1bwm s ILE 377 N -0.24 0.22 0.35 0.60 1.10 -1.08 -2.11 121.20 120.04 1bwm s ILE 377 Ca 0.00 0.07 0.07 0.00 -0.51 0.00 0.00 60.65 60.28 1bwm s ILE 377 Cb -0.12 -0.31 -0.01 0.00 0.15 0.00 0.00 42.46 42.17 1bwm s ILE 377 CO 0.02 0.16 0.45 0.28 -2.11 0.00 0.00 174.94 173.74 1bwm s THR 378 N 1.05 3.73 -0.34 4.00 -1.32 -1.26 -1.03 115.64 120.47 1bwm s THR 378 Ca -0.09 -1.08 -0.07 0.00 -1.21 0.00 0.00 61.69 59.24 1bwm s THR 378 Cb -0.14 -3.28 0.01 0.00 -1.51 0.00 0.00 72.50 67.58 1bwm s THR 378 CO -0.02 -0.13 0.23 -0.67 -2.21 0.00 0.00 174.62 171.83 1bwm n ASP 379 N -1.62 -7.88 -4.67 8.08 -0.08 -1.18 -4.94 116.55 104.26 1bwm n ASP 379 Ca 0.01 1.03 -0.24 0.00 -1.51 0.00 0.00 54.79 54.08 1bwm n ASP 379 Cb 0.59 -5.08 -0.08 0.00 2.34 0.00 0.00 41.12 38.89 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1bwm s SER 380 N -1.95 4.39 0.19 1.67 0.01 -1.17 -4.98 113.70 111.87 1bwm s SER 380 Ca 0.10 -0.90 0.09 0.00 1.31 0.00 0.00 55.95 56.56 1bwm s SER 380 Cb -0.03 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1bwm s SER 380 CO 0.75 -0.26 -0.10 -1.10 0.41 0.00 0.00 173.24 172.94 1bwm s GLN 381 N -3.77 2.03 0.00 12.44 1.11 -1.26 -4.03 119.66 126.18 1bwm s GLN 381 Ca 0.36 -1.31 0.00 0.00 0.01 0.00 0.00 55.36 54.42 1bwm s GLN 381 Cb -0.01 -2.13 0.00 0.00 -1.01 0.00 0.00 33.01 29.86 1bwm s GLN 381 CO 0.21 0.42 0.00 -0.35 0.01 0.00 0.00 175.29 175.58 1bwm n PRO 382 N -0.03 1.23 -2.18 2.91 -0.05 -1.26 -3.80 135.00 131.81 1bwm n PRO 382 Ca -0.10 0.00 -0.02 0.00 -0.05 0.00 0.00 63.50 63.33 1bwm n PRO 382 Cb 0.56 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 34.02 1bwm n PRO 382 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1bwm n GLY 383 N 0.81 -0.47 2.14 0.55 0.00 -1.26 -3.24 105.19 103.72 1bwm n GLY 383 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.61 -3.40 0.00 1.61 2.03 -1.26 -4.41 116.55 109.51 1bwm n ASP 384 Ca -0.01 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1bwm n ASP 384 Cb 0.52 -3.07 0.00 0.00 -0.72 0.00 0.00 41.12 37.85 1bwm n ASP 384 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1bwm n SER 385 N -0.98 0.00 -3.64 1.67 2.88 -1.20 -4.04 113.62 108.32 1bwm n SER 385 Ca -0.13 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.39 1bwm n SER 385 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.00 -2.15 -0.20 -1.46 0.00 -1.05 -4.80 121.76 111.10 1bwm s ALA 386 Ca 0.00 1.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.78 1bwm s ALA 386 Cb 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1bwm s ALA 386 CO 0.00 -0.45 -0.04 0.95 0.00 0.00 0.00 175.76 176.23 1bwm s THR 387 N -1.74 3.56 0.02 0.00 -4.23 -0.99 -2.55 115.64 109.72 1bwm s THR 387 Ca 0.10 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1bwm s THR 387 Cb -0.01 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1bwm s THR 387 CO -0.04 0.44 0.22 -0.31 -0.54 0.00 0.00 174.62 174.38 1bwm s TYR 388 N 1.13 3.54 -0.02 3.99 1.51 -0.96 -0.24 117.35 126.30 1bwm s TYR 388 Ca 0.02 0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.49 1bwm s TYR 388 Cb -0.15 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1bwm s TYR 388 CO -0.00 0.61 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.91 1bwm s PHE 389 N -1.39 2.87 -0.13 2.71 0.40 -0.01 -0.12 117.98 122.30 1bwm s PHE 389 Ca 0.30 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.59 1bwm s PHE 389 Cb -0.13 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.79 1bwm s PHE 389 CO 0.21 0.33 -0.13 0.00 0.70 0.00 0.00 175.22 176.34 1bwm s ALA 391 N 1.41 1.11 0.06 0.00 0.00 -1.26 -1.58 121.76 121.50 1bwm s ALA 391 Ca 0.02 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1bwm s ALA 391 Cb -0.13 1.26 -0.04 0.00 0.00 0.00 0.00 23.12 24.21 1bwm s ALA 391 CO -0.08 -0.75 -0.05 0.00 0.00 0.00 0.00 175.76 174.88 1bwm s ALA 392 N -3.17 0.62 -0.06 0.00 0.00 -0.21 -3.34 121.76 115.59 1bwm s ALA 392 Ca 0.34 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1bwm s ALA 392 Cb 0.01 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.40 1bwm s ALA 392 CO 0.22 -0.25 0.79 -0.08 0.00 0.00 0.00 175.76 176.44 1bwm s THR 393 N -3.15 0.00 0.00 0.00 -1.32 -0.92 -1.62 115.64 108.62 1bwm s THR 393 Ca 0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1bwm s THR 393 Cb 0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1bwm s THR 393 CO -0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1bwm n GLY 399 N 0.67 0.00 0.00 6.08 0.00 -1.26 -1.91 105.19 108.76 1bwm n GLY 399 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1bwm n GLY 399 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 400 N -1.91 0.36 -4.84 1.61 7.64 -1.26 -4.87 113.62 110.36 1bwm n SER 400 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1bwm n SER 400 Cb 0.11 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 1bwm n SER 400 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1bwm s PHE 401 N 1.46 3.37 -1.35 1.43 0.08 -1.26 -4.08 117.98 117.62 1bwm s PHE 401 Ca 0.00 1.34 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 1bwm s PHE 401 Cb 0.00 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1bwm s PHE 401 CO 0.00 0.04 0.62 -1.71 -0.10 0.00 0.00 175.22 174.07 1bwm n ASN 402 N -0.40 -1.01 -2.07 1.36 5.15 -1.26 -4.89 115.26 112.13 1bwm n ASN 402 Ca 0.04 -0.88 0.01 0.00 -0.60 0.00 0.00 54.58 53.16 1bwm n ASN 402 Cb 0.53 -3.72 0.04 0.00 -0.53 0.00 0.00 39.78 36.10 1bwm n ASN 402 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1bwm n LYS 403 N -4.33 0.92 -3.04 1.20 3.00 -1.26 -5.03 118.16 109.64 1bwm n LYS 403 Ca -0.29 -2.77 -0.44 0.00 -0.00 0.00 0.00 58.31 54.80 1bwm n LYS 403 Cb 0.67 -0.83 -0.04 0.00 0.00 0.00 0.00 35.03 34.84 1bwm n LYS 403 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bwm s LEU 404 N -1.89 5.26 -0.20 3.14 1.43 -1.25 -3.73 118.68 121.43 1bwm s LEU 404 Ca 0.32 -1.65 -0.14 0.00 -1.03 0.00 0.00 54.13 51.62 1bwm s LEU 404 Cb 0.36 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1bwm s LEU 404 CO -0.10 -1.11 0.31 -0.89 0.23 0.00 0.00 176.35 174.79 1bwm s THR 405 N 2.68 5.27 0.34 5.49 2.01 -0.64 -4.86 115.64 125.93 1bwm s THR 405 Ca 0.20 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.80 1bwm s THR 405 Cb -0.16 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1bwm s THR 405 CO 0.01 0.31 0.35 -0.36 -0.69 0.00 0.00 174.62 174.24 1bwm s PHE 406 N 1.03 2.94 -0.37 4.92 0.40 -1.26 -1.05 117.98 124.60 1bwm s PHE 406 Ca 0.15 -0.29 0.11 0.00 -0.60 0.00 0.00 56.93 56.30 1bwm s PHE 406 Cb -0.14 -1.89 0.44 0.00 0.51 0.00 0.00 43.02 41.95 1bwm s PHE 406 CO 0.06 0.10 1.06 0.41 0.70 0.00 0.00 175.22 177.55 1bwm n GLY 407 N -1.47 4.20 2.44 4.36 0.00 -0.62 -4.54 105.19 109.56 1bwm n GLY 407 Ca -0.01 -2.12 -0.19 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 -0.37 -0.29 0.00 4.61 0.00 0.22 -3.93 120.51 120.74 1bwm n ALA 408 Ca 0.27 0.30 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1bwm n ALA 408 Cb 0.76 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.36 1.46 3.42 0.00 0.00 -1.26 -4.64 105.19 103.81 1bwm n GLY 409 Ca -0.19 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1bwm n GLY 409 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwm s THR 410 N 0.00 0.01 -0.30 2.61 2.01 0.83 -4.34 115.64 116.47 1bwm s THR 410 Ca 0.00 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.79 1bwm s THR 410 Cb 0.00 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1bwm s THR 410 CO 0.00 -0.06 0.15 -0.13 -0.69 0.00 0.00 174.62 173.89 1bwm s ARG 411 N -0.57 3.46 -0.18 4.92 3.00 -1.26 -2.25 118.95 126.06 1bwm s ARG 411 Ca -0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 55.73 54.99 1bwm s ARG 411 Cb -0.03 -3.56 -0.02 0.00 0.00 0.00 0.00 34.95 31.34 1bwm s ARG 411 CO 0.05 -0.36 -0.04 -0.51 0.00 0.00 0.00 175.30 174.44 1bwm s LEU 412 N 1.64 3.08 0.31 2.53 2.01 -1.06 -2.87 118.68 124.32 1bwm s LEU 412 Ca 0.05 -0.25 0.10 0.00 0.01 0.00 0.00 54.13 54.04 1bwm s LEU 412 Cb -0.17 -1.76 -0.06 0.00 0.01 0.00 0.00 46.19 44.22 1bwm s LEU 412 CO 0.07 0.09 -0.14 0.00 1.01 0.00 0.00 176.35 177.38 1bwm s ALA 413 N 0.86 2.77 0.18 4.21 0.00 -0.85 -2.53 121.76 126.39 1bwm s ALA 413 Ca -0.01 -1.97 -0.25 0.00 0.00 0.00 0.00 51.96 49.73 1bwm s ALA 413 Cb -0.15 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.78 1bwm s ALA 413 CO 0.01 0.14 0.79 0.14 0.00 0.00 0.00 175.76 176.85 1bwm s VAL 414 N -2.63 4.35 -0.48 0.00 -7.23 -1.26 0.58 120.40 113.73 1bwm s VAL 414 Ca 0.31 1.72 0.03 0.00 -1.81 0.00 0.00 61.98 62.23 1bwm s VAL 414 Cb -0.01 -4.14 0.16 0.00 0.56 0.00 0.00 36.38 32.95 1bwm s VAL 414 CO 0.15 0.50 0.33 -0.44 -0.31 0.00 0.00 175.10 175.33 1bwm s SER 415 N -1.19 2.92 0.07 4.85 0.01 0.32 -4.67 113.70 116.01 1bwm s SER 415 Ca 0.37 -3.02 -0.28 0.00 1.31 0.00 0.00 55.95 54.33 1bwm s SER 415 Cb -0.23 -0.85 -0.17 0.00 0.21 0.00 0.00 66.02 64.98 1bwm s SER 415 CO 0.26 -0.19 1.64 -0.65 0.41 0.00 0.00 173.24 174.71 1bwm h PRO 416 N 6.03 -0.46 0.00 12.44 0.10 -1.83 -3.39 132.00 144.89 1bwm h PRO 416 Ca 0.14 0.03 0.00 0.00 0.10 0.00 0.00 66.00 66.28 1bwm h PRO 416 Cb 0.89 0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.09 1bwm h PRO 416 CO 0.46 -0.28 0.00 0.98 0.10 0.00 0.00 178.00 179.26