#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 2.76 -2.13 0.00 3.14 -1.26 -4.63 118.33 116.22 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 -1.41 0.00 0.00 -1.06 0.00 0.00 33.84 31.37 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 -0.53 0.00 -3.88 1.55 -2.24 -1.08 -2.91 114.28 105.19 1bwm n THR 5 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1bwm n THR 5 Cb 0.41 0.00 -0.06 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 1.59 1.27 -0.46 -0.78 -0.44 -1.22 -2.65 119.66 116.96 1bwm s GLN 6 Ca 0.00 -1.06 -0.35 0.00 -2.50 0.00 0.00 55.36 51.44 1bwm s GLN 6 Cb 0.00 0.44 -0.14 0.00 -1.64 0.00 0.00 33.01 31.67 1bwm s GLN 6 CO 0.00 -0.50 2.26 0.43 0.50 0.00 0.00 175.29 177.98 1bwm n SER 7 N -0.27 1.70 -4.38 6.67 7.64 0.32 -4.76 113.62 120.54 1bwm n SER 7 Ca -0.08 0.35 -0.26 0.00 1.01 0.00 0.00 58.87 59.90 1bwm n SER 7 Cb 0.63 -1.19 -0.09 0.00 -1.01 0.00 0.00 64.21 62.55 1bwm n SER 7 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bwm n PRO 8 N 8.18 0.82 -3.64 1.43 -0.05 -1.26 -4.76 135.00 135.72 1bwm n PRO 8 Ca 0.46 -1.95 -0.04 0.00 -0.05 0.00 0.00 63.50 61.92 1bwm n PRO 8 Cb 0.19 -3.62 -0.07 0.00 -0.05 0.00 0.00 33.50 29.95 1bwm n PRO 8 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 175.50 175.95 1bwm s ARG 9 N 7.24 0.44 -0.32 0.54 3.52 -1.26 -5.13 118.95 123.98 1bwm s ARG 9 Ca 0.73 0.73 0.03 0.00 -0.13 0.00 0.00 55.73 57.09 1bwm s ARG 9 Cb 0.01 0.10 0.09 0.00 -1.56 0.00 0.00 34.95 33.58 1bwm s ARG 9 CO 0.18 -0.09 0.01 -0.80 -0.81 0.00 0.00 175.30 173.79 1bwm s ASN 10 N 1.26 4.72 0.08 -2.12 0.01 -1.26 -4.86 114.94 112.77 1bwm s ASN 10 Ca -0.08 -1.85 -0.08 0.00 -0.71 0.00 0.00 52.86 50.14 1bwm s ASN 10 Cb -0.04 -1.63 -0.00 0.00 0.41 0.00 0.00 41.25 39.99 1bwm s ASN 10 CO -0.15 -0.33 0.18 -0.75 -1.51 0.00 0.00 177.10 174.54 1bwm s LYS 11 N 1.01 0.82 0.34 -0.60 2.20 -1.26 -5.14 119.74 117.10 1bwm s LYS 11 Ca 0.03 -0.95 0.07 0.00 -0.36 0.00 0.00 55.97 54.76 1bwm s LYS 11 Cb -0.20 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1bwm s LYS 11 CO -0.06 -0.25 0.32 0.08 -0.36 0.00 0.00 175.35 175.08 1bwm s VAL 12 N -3.78 3.61 0.36 4.02 1.01 -1.26 -4.60 120.40 119.75 1bwm s VAL 12 Ca 0.04 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 60.78 1bwm s VAL 12 Cb 0.05 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1bwm s VAL 12 CO -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 175.10 174.83 1bwm s ALA 13 N -2.29 2.77 0.23 5.51 0.00 -0.73 -4.98 121.76 122.27 1bwm s ALA 13 Ca 0.42 -2.15 0.01 0.00 0.00 0.00 0.00 51.96 50.24 1bwm s ALA 13 Cb -0.06 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1bwm s ALA 13 CO 0.27 -0.16 0.09 1.33 0.00 0.00 0.00 175.76 177.30 1bwm n VAL 14 N -0.80 0.00 -1.48 0.00 0.24 -1.26 -2.94 118.33 112.08 1bwm n VAL 14 Ca -0.04 -0.99 -0.56 0.00 -2.04 0.00 0.00 64.34 60.71 1bwm n VAL 14 Cb 0.66 -0.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.82 0.16 -3.59 3.34 -1.04 0.37 0.41 114.28 113.11 1bwm n THR 15 Ca -0.05 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.05 61.62 1bwm n THR 15 Cb 0.27 -1.17 0.07 0.00 -1.82 0.00 0.00 70.33 67.69 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 6.07 -0.46 0.00 3.41 0.00 0.56 -4.94 105.19 109.83 1bwm n GLY 16 Ca 0.41 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.66 1.65 0.00 -0.02 0.00 0.17 -4.77 105.19 100.56 1bwm n GLY 17 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1bwm n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwm n LYS 18 N 0.00 0.00 -3.60 1.61 4.76 -1.26 -4.80 118.16 114.87 1bwm n LYS 18 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1bwm n LYS 18 Cb 0.00 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.03 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bwm s VAL 19 N -2.00 -0.16 -0.24 -0.18 1.01 -1.06 -4.72 120.40 113.04 1bwm s VAL 19 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1bwm s VAL 19 Cb 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1bwm s VAL 19 CO 0.00 -0.16 0.25 -0.89 0.00 0.00 0.00 175.10 174.29 1bwm s THR 20 N 2.20 5.29 -0.04 3.92 2.01 -1.26 -2.26 115.64 125.50 1bwm s THR 20 Ca 0.04 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1bwm s THR 20 Cb -0.15 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1bwm s THR 20 CO -0.09 0.28 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.32 1bwm s LEU 21 N 1.40 1.40 -0.17 4.42 1.43 -0.79 -4.83 118.68 121.54 1bwm s LEU 21 Ca 0.11 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1bwm s LEU 21 Cb -0.15 -0.39 0.06 0.00 0.03 0.00 0.00 46.19 45.74 1bwm s LEU 21 CO 0.07 -0.04 0.10 -0.44 0.23 0.00 0.00 176.35 176.27 1bwm s SER 22 N 0.78 2.22 -0.16 2.29 0.01 -1.26 -1.68 113.70 115.89 1bwm s SER 22 Ca -0.10 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.56 1bwm s SER 22 Cb -0.13 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 1bwm s SER 22 CO -0.00 -0.35 -0.01 0.00 0.41 0.00 0.00 173.24 173.29 1bwm s ASN 24 N 0.27 5.49 -0.09 0.00 -0.87 -1.08 -2.60 114.94 116.05 1bwm s ASN 24 Ca -0.01 0.11 -0.08 0.00 -1.57 0.00 0.00 52.86 51.30 1bwm s ASN 24 Cb -0.14 -1.13 0.03 0.00 -0.02 0.00 0.00 41.25 39.99 1bwm s ASN 24 CO 0.02 -0.97 0.24 -1.58 -2.57 0.00 0.00 177.10 172.24 1bwm s GLN 25 N -4.68 0.27 -0.30 -0.60 -0.44 0.03 -2.65 119.66 111.28 1bwm s GLN 25 Ca 0.54 0.37 0.02 0.00 -2.50 0.00 0.00 55.36 53.79 1bwm s GLN 25 Cb -0.10 0.09 0.13 0.00 -1.64 0.00 0.00 33.01 31.48 1bwm s GLN 25 CO 0.38 -0.06 1.18 -2.37 0.50 0.00 0.00 175.29 174.92 1bwm n THR 26 N 3.20 0.00 -1.61 -0.34 5.66 -1.26 -4.77 114.28 115.16 1bwm n THR 26 Ca -0.15 -0.51 0.05 0.00 -3.05 0.00 0.00 64.05 60.39 1bwm n THR 26 Cb 0.57 0.70 0.08 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.12 1.19 -3.50 1.09 5.15 -1.26 -4.59 115.26 113.22 1bwm n ASN 27 Ca -0.23 -2.60 -0.22 0.00 -0.60 0.00 0.00 54.58 50.93 1bwm n ASN 27 Cb 0.67 -0.33 0.06 0.00 -0.53 0.00 0.00 39.78 39.65 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bwm n ASN 28 N -0.65 -4.85 -4.88 1.20 5.15 -1.26 -4.91 115.26 105.06 1bwm n ASN 28 Ca 0.09 -0.83 -0.36 0.00 -0.60 0.00 0.00 54.58 52.87 1bwm n ASN 28 Cb 0.71 -4.35 -0.06 0.00 -0.53 0.00 0.00 39.78 35.55 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1bwm s HIS 29 N -3.47 3.61 -1.55 1.20 -3.43 -1.26 -4.59 115.29 105.79 1bwm s HIS 29 Ca 0.35 0.57 0.29 0.00 -0.80 0.00 0.00 55.06 55.47 1bwm s HIS 29 Cb -0.08 -1.98 1.21 0.00 -1.43 0.00 0.00 32.58 30.30 1bwm s HIS 29 CO 0.80 0.70 1.85 -1.71 -2.00 0.00 0.00 174.74 174.38 1bwm n ASN 30 N 1.74 0.41 -3.63 7.38 5.15 -0.86 -4.85 115.26 120.60 1bwm n ASN 30 Ca -0.17 -0.45 -0.10 0.00 -0.60 0.00 0.00 54.58 53.26 1bwm n ASN 30 Cb 0.54 -0.10 -0.07 0.00 -0.53 0.00 0.00 39.78 39.62 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1bwm s ASN 31 N -2.55 -0.45 0.08 1.20 -0.87 -1.25 -4.85 114.94 106.25 1bwm s ASN 31 Ca 0.27 0.85 0.07 0.00 -1.57 0.00 0.00 52.86 52.48 1bwm s ASN 31 Cb 0.20 0.85 -0.04 0.00 -0.02 0.00 0.00 41.25 42.24 1bwm s ASN 31 CO 0.49 -0.17 -0.15 -0.32 -2.57 0.00 0.00 177.10 174.38 1bwm s MET 32 N 0.11 2.05 0.06 -0.60 1.75 0.85 -3.66 119.30 119.87 1bwm s MET 32 Ca 0.03 -1.03 0.08 0.00 -1.25 0.00 0.00 55.69 53.52 1bwm s MET 32 Cb -0.05 -2.23 -0.03 0.00 2.84 0.00 0.00 34.83 35.36 1bwm s MET 32 CO -0.05 0.52 -0.22 0.71 -0.65 0.00 0.00 175.02 175.33 1bwm s TYR 33 N -1.08 1.91 -0.08 4.11 2.02 -0.99 -2.19 117.35 121.05 1bwm s TYR 33 Ca 0.18 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1bwm s TYR 33 Cb -0.11 -1.11 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 1bwm s TYR 33 CO 0.09 0.14 -0.02 -0.46 -1.57 0.00 0.00 175.55 173.74 1bwm s TRP 34 N -0.91 0.82 0.19 2.71 -0.00 0.13 -2.70 118.94 119.20 1bwm s TRP 34 Ca 0.08 -0.27 -0.10 0.00 -0.00 0.00 0.00 56.10 55.81 1bwm s TRP 34 Cb -0.09 -0.86 -0.01 0.00 -0.00 0.00 0.00 33.47 32.51 1bwm s TRP 34 CO 0.03 -0.35 0.34 1.52 -0.00 0.00 0.00 176.95 178.49 1bwm s TYR 35 N 1.80 0.43 -0.02 5.86 -0.85 -1.09 -2.31 117.35 121.17 1bwm s TYR 35 Ca 0.03 -0.78 0.01 0.00 -0.52 0.00 0.00 57.07 55.82 1bwm s TYR 35 Cb -0.13 -0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.22 1bwm s TYR 35 CO -0.05 -0.80 -0.04 -0.98 -1.52 0.00 0.00 175.55 172.15 1bwm s ARG 36 N -4.00 0.57 0.14 -3.49 1.70 -1.09 -2.05 118.95 110.74 1bwm s ARG 36 Ca 0.20 -0.11 -0.31 0.00 -0.47 0.00 0.00 55.73 55.04 1bwm s ARG 36 Cb 0.02 -0.60 -0.09 0.00 -0.57 0.00 0.00 34.95 33.72 1bwm s ARG 36 CO 0.04 -0.00 1.49 -1.14 -1.08 0.00 0.00 175.30 174.61 1bwm s GLN 37 N 0.48 4.26 0.00 3.89 0.74 -1.01 -2.41 119.66 125.60 1bwm s GLN 37 Ca -0.06 2.24 0.00 0.00 0.05 0.00 0.00 55.36 57.59 1bwm s GLN 37 Cb -0.09 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1bwm s GLN 37 CO -0.00 -0.54 0.00 -3.47 -0.55 0.00 0.00 175.29 170.73 1bwm n ASP 38 N 4.03 0.00 -1.87 6.67 -0.08 0.24 -3.67 116.55 121.88 1bwm n ASP 38 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1bwm n ASP 38 Cb 0.40 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.85 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 -1.41 0.00 -0.21 5.18 -1.04 -1.12 -4.88 114.28 110.80 1bwm n THR 39 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1bwm n THR 39 Cb 0.00 -1.56 0.39 0.00 -1.82 0.00 0.00 70.33 67.34 1bwm n THR 39 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bwm h GLY 40 N 0.00 1.00 0.00 3.41 0.00 -2.04 -3.27 103.07 102.17 1bwm h GLY 40 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1bwm h GLY 40 CO 0.00 0.15 0.00 -2.39 0.00 0.00 0.00 176.54 174.30 1bwm n HIS 41 N -4.51 0.00 -2.32 5.60 -0.00 -1.26 -5.05 115.22 107.68 1bwm n HIS 41 Ca 0.14 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.43 1bwm n HIS 41 Cb 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.33 1bwm n HIS 41 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1bwm s GLY 42 N -0.00 1.49 0.54 -1.39 0.00 -1.23 -3.51 107.32 103.22 1bwm s GLY 42 Ca 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 44.72 45.04 1bwm s GLY 42 CO 0.00 2.67 0.93 -2.27 0.00 0.00 0.00 173.10 174.42 1bwm s LEU 43 N 4.07 3.47 -0.45 0.66 0.20 -1.26 -0.59 118.68 124.77 1bwm s LEU 43 Ca 0.60 1.27 0.07 0.00 0.69 0.00 0.00 54.13 56.76 1bwm s LEU 43 Cb -0.22 -4.26 0.24 0.00 -0.43 0.00 0.00 46.19 41.52 1bwm s LEU 43 CO 0.21 -0.69 0.73 -1.14 -0.29 0.00 0.00 176.35 175.16 1bwm n ARG 44 N -2.28 0.75 -1.36 1.98 3.00 -1.01 -4.71 116.66 113.03 1bwm n ARG 44 Ca 0.04 -2.37 -0.35 0.00 -0.00 0.00 0.00 57.85 55.17 1bwm n ARG 44 Cb 0.54 -1.36 0.10 0.00 0.00 0.00 0.00 32.46 31.75 1bwm n ARG 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1bwm n LEU 45 N 1.56 4.94 0.00 6.15 0.00 -1.26 -2.66 117.00 125.72 1bwm n LEU 45 Ca 0.14 0.68 0.00 0.00 0.00 0.00 0.00 56.01 56.84 1bwm n LEU 45 Cb 0.59 -1.52 0.00 0.00 0.00 0.00 0.00 43.42 42.49 1bwm n LEU 45 CO 0.10 -1.47 0.00 2.30 0.00 0.00 0.00 177.39 178.32 1bwm n ILE 46 N -2.72 0.00 -4.37 1.96 -0.00 -0.98 -2.75 119.36 110.50 1bwm n ILE 46 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.69 1bwm n ILE 46 Cb 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 40.00 1bwm n ILE 46 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1bwm s HIS 47 N -1.00 1.19 -0.30 4.28 3.76 -1.03 0.12 115.29 122.31 1bwm s HIS 47 Ca 0.00 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.46 1bwm s HIS 47 Cb 0.00 -0.72 0.16 0.00 1.11 0.00 0.00 32.58 33.13 1bwm s HIS 47 CO 0.00 0.02 0.85 1.52 -0.85 0.00 0.00 174.74 176.29 1bwm s TYR 48 N -0.78 -0.97 0.21 1.40 1.13 -1.26 0.21 117.35 117.30 1bwm s TYR 48 Ca 0.02 1.49 -0.06 0.00 -1.41 0.00 0.00 57.07 57.11 1bwm s TYR 48 Cb -0.07 0.51 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 1bwm s TYR 48 CO 0.01 -0.49 0.38 0.45 -2.51 0.00 0.00 175.55 173.39 1bwm n SER 49 N 5.22 -1.10 0.00 -0.18 2.88 -0.93 -4.56 113.62 114.96 1bwm n SER 49 Ca -0.09 -1.97 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1bwm n SER 49 Cb 0.51 1.89 0.00 0.00 -0.75 0.00 0.00 64.21 65.86 1bwm n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm n TYR 50 N -0.31 0.00 -2.69 0.66 4.11 -1.26 -0.10 117.16 117.57 1bwm n TYR 50 Ca -0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.66 1bwm n TYR 50 Cb 0.33 0.00 0.06 0.00 -0.00 0.00 0.00 39.34 39.74 1bwm n TYR 50 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1bwm s GLY 51 N -1.59 1.80 0.30 -7.48 0.00 -1.26 -4.87 107.32 94.22 1bwm s GLY 51 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 44.72 42.89 1bwm s GLY 51 CO 0.00 -1.18 0.91 0.00 0.00 0.00 0.00 173.10 172.83 1bwm s ALA 52 N -2.85 3.25 -1.08 3.20 0.00 -1.26 -3.86 121.76 119.15 1bwm s ALA 52 Ca 0.61 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 1bwm s ALA 52 Cb -0.08 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1bwm s ALA 52 CO 0.40 0.20 0.92 0.41 0.00 0.00 0.00 175.76 177.69 1bwm n GLY 53 N 0.66 -0.29 2.28 0.00 0.00 0.18 -4.94 105.19 103.09 1bwm n GLY 53 Ca 0.01 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1bwm n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 54 N -2.77 0.72 -4.85 1.61 7.64 -1.25 -5.02 113.62 109.70 1bwm n SER 54 Ca -0.19 -2.78 -0.33 0.00 1.01 0.00 0.00 58.87 56.58 1bwm n SER 54 Cb 0.63 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.13 1bwm n SER 54 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1bwm s THR 55 N -1.21 4.76 0.04 0.44 -4.23 -1.26 -4.56 115.64 109.62 1bwm s THR 55 Ca 0.35 0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 61.65 1bwm s THR 55 Cb 0.14 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 1bwm s THR 55 CO -0.11 -0.02 0.10 -1.61 -0.54 0.00 0.00 174.62 172.44 1bwm s GLU 56 N -2.61 0.62 -0.21 3.99 0.41 -1.26 -5.05 118.70 114.59 1bwm s GLU 56 Ca 0.48 -0.80 -0.25 0.00 -0.41 0.00 0.00 54.97 53.99 1bwm s GLU 56 Cb -0.12 0.24 -0.01 0.00 -1.78 0.00 0.00 34.13 32.46 1bwm s GLU 56 CO 0.19 -0.16 0.85 0.15 -0.49 0.00 0.00 175.26 175.80 1bwm s LYS 57 N -2.83 4.24 0.00 1.61 1.02 -1.26 -4.41 119.74 118.12 1bwm s LYS 57 Ca -0.03 1.01 0.00 0.00 0.02 0.00 0.00 55.97 56.97 1bwm s LYS 57 Cb 0.00 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1bwm s LYS 57 CO -0.06 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 1bwm n GLY 58 N 3.57 -1.75 0.09 -3.33 0.00 0.32 -4.89 105.19 99.21 1bwm n GLY 58 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 1.22 -2.85 1.61 2.03 -1.11 -4.91 116.55 112.54 1bwm n ASP 59 Ca 0.00 0.21 -0.12 0.00 0.52 0.00 0.00 54.79 55.40 1bwm n ASP 59 Cb 0.00 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 39.80 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 -3.73 0.27 -1.82 5.18 -0.00 -1.26 -5.12 119.36 112.88 1bwm n ILE 60 Ca -0.09 -3.02 -0.41 0.00 -0.00 0.00 0.00 62.75 59.24 1bwm n ILE 60 Cb 0.32 0.57 0.00 0.00 -0.00 0.00 0.00 39.64 40.53 1bwm n ILE 60 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1bwm s PRO 61 N -1.74 4.00 -0.19 6.28 0.04 -1.26 -5.02 135.00 137.11 1bwm s PRO 61 Ca 0.29 2.50 -0.15 0.00 0.04 0.00 0.00 61.00 63.69 1bwm s PRO 61 Cb 0.38 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 32.10 1bwm s PRO 61 CO -0.04 -0.59 0.49 0.34 0.04 0.00 0.00 177.00 177.25 1bwm s ASP 62 N -0.28 -0.57 -0.91 6.66 -1.08 -1.26 -4.95 116.67 114.28 1bwm s ASP 62 Ca 0.55 1.03 -0.03 0.00 -0.52 0.00 0.00 52.55 53.58 1bwm s ASP 62 Cb -0.45 0.99 -0.04 0.00 -1.46 0.00 0.00 42.92 41.96 1bwm s ASP 62 CO 0.60 -0.19 0.79 0.61 0.52 0.00 0.00 175.17 177.50 1bwm n GLY 63 N 3.43 -0.61 3.36 2.66 0.00 -1.26 -4.98 105.19 107.79 1bwm n GLY 63 Ca -0.17 0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1bwm n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bwm s TYR 65 N -3.32 1.21 -0.19 1.61 1.13 -1.26 -3.71 117.35 112.82 1bwm s TYR 65 Ca 0.25 -1.36 -0.05 0.00 -1.41 0.00 0.00 57.07 54.50 1bwm s TYR 65 Cb -0.03 -0.38 0.10 0.00 -1.10 0.00 0.00 41.96 40.55 1bwm s TYR 65 CO 0.61 -0.89 0.37 0.21 -2.51 0.00 0.00 175.55 173.33 1bwm s LYS 66 N -3.62 0.28 0.31 -3.49 2.47 -0.62 -4.99 119.74 110.09 1bwm s LYS 66 Ca 0.35 0.81 0.03 0.00 -1.56 0.00 0.00 55.97 55.61 1bwm s LYS 66 Cb 0.03 -0.01 -0.06 0.00 -1.46 0.00 0.00 37.83 36.33 1bwm s LYS 66 CO 0.19 -0.37 0.07 0.00 0.16 0.00 0.00 175.35 175.40 1bwm s ALA 67 N 2.54 2.22 -0.16 3.13 0.00 -1.26 -0.22 121.76 128.01 1bwm s ALA 67 Ca 0.03 -1.96 -0.29 0.00 0.00 0.00 0.00 51.96 49.74 1bwm s ALA 67 Cb -0.13 0.77 0.10 0.00 0.00 0.00 0.00 23.12 23.87 1bwm s ALA 67 CO -0.13 -0.35 0.87 -1.12 0.00 0.00 0.00 175.76 175.03 1bwm s SER 68 N -3.45 -0.52 -0.51 0.00 0.01 -0.45 -4.96 113.70 103.82 1bwm s SER 68 Ca 0.36 0.73 0.07 0.00 1.31 0.00 0.00 55.95 58.42 1bwm s SER 68 Cb 0.08 0.64 0.25 0.00 0.21 0.00 0.00 66.02 67.20 1bwm s SER 68 CO 0.15 -0.37 0.63 -1.14 0.41 0.00 0.00 173.24 172.91 1bwm n ARG 69 N 1.33 1.57 -0.27 12.44 3.00 -1.26 -2.68 116.66 130.78 1bwm n ARG 69 Ca -0.14 -3.91 -0.02 0.00 -0.00 0.00 0.00 57.85 53.78 1bwm n ARG 69 Cb 0.57 -1.71 0.10 0.00 0.00 0.00 0.00 32.46 31.42 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 4.09 0.86 -6.48 -0.14 0.13 -1.97 0.51 132.00 129.00 1bwm h PRO 70 Ca 0.13 -0.05 -0.63 0.00 -0.87 0.00 0.00 66.00 64.58 1bwm h PRO 70 Cb 0.78 -0.19 -0.15 0.00 0.13 0.00 0.00 31.00 31.57 1bwm h PRO 70 CO 0.64 0.57 -0.73 -1.12 -0.23 0.00 0.00 178.00 177.12 1bwm s SER 71 N -5.74 4.23 0.24 1.44 0.01 -1.24 -4.53 113.70 108.12 1bwm s SER 71 Ca -0.13 -0.56 0.23 0.00 1.31 0.00 0.00 55.95 56.81 1bwm s SER 71 Cb 0.16 -0.72 0.96 0.00 0.21 0.00 0.00 66.02 66.64 1bwm s SER 71 CO 0.78 0.12 1.70 1.67 0.41 0.00 0.00 173.24 177.92 1bwm n GLN 72 N 0.18 0.19 -0.00 12.44 0.00 -1.26 -2.80 117.38 126.12 1bwm n GLN 72 Ca -0.11 0.41 0.06 0.00 -0.00 0.00 0.00 57.00 57.35 1bwm n GLN 72 Cb 0.55 -1.85 -0.08 0.00 0.00 0.00 0.00 30.24 28.86 1bwm n GLN 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1bwm n GLU 73 N -2.21 1.68 -3.95 3.69 1.02 -1.26 -4.81 120.64 114.81 1bwm n GLU 73 Ca 0.02 -0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 56.76 1bwm n GLU 73 Cb 0.24 -1.16 -0.14 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.75 4.20 -0.02 1.62 0.01 -1.12 -0.79 114.94 116.09 1bwm s ASN 74 Ca -0.00 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.54 1bwm s ASN 74 Cb 0.08 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1bwm s ASN 74 CO 0.47 -0.07 -0.08 0.12 -1.51 0.00 0.00 177.10 176.03 1bwm s PHE 75 N 1.40 0.82 0.12 2.20 5.36 -1.07 -3.66 117.98 123.15 1bwm s PHE 75 Ca 0.03 -0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 55.66 1bwm s PHE 75 Cb -0.15 -0.58 0.03 0.00 -0.34 0.00 0.00 43.02 41.98 1bwm s PHE 75 CO -0.05 -0.08 0.39 -1.54 -1.46 0.00 0.00 175.22 172.49 1bwm s SER 76 N 0.13 -0.22 0.20 6.13 1.04 -1.09 -1.33 113.70 118.56 1bwm s SER 76 Ca -0.02 -0.33 -0.23 0.00 0.48 0.00 0.00 55.95 55.85 1bwm s SER 76 Cb -0.07 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1bwm s SER 76 CO 0.00 -0.84 0.87 -1.48 0.98 0.00 0.00 173.24 172.77 1bwm s LEU 77 N -2.79 -0.21 0.30 2.42 0.05 -0.68 -1.34 118.68 116.43 1bwm s LEU 77 Ca 0.03 -0.48 -0.07 0.00 0.05 0.00 0.00 54.13 53.65 1bwm s LEU 77 Cb 0.02 2.38 -0.00 0.00 -2.05 0.00 0.00 46.19 46.54 1bwm s LEU 77 CO -0.12 -1.07 0.47 0.27 -0.55 0.00 0.00 176.35 175.35 1bwm s ILE 78 N -3.53 0.00 0.14 1.48 -0.00 0.70 -1.89 121.20 118.09 1bwm s ILE 78 Ca 0.12 -1.51 0.09 0.00 -0.00 0.00 0.00 60.65 59.34 1bwm s ILE 78 Cb -0.03 -2.47 -0.04 0.00 -0.00 0.00 0.00 42.46 39.92 1bwm s ILE 78 CO 0.04 0.00 -0.21 -0.76 -0.00 0.00 0.00 174.94 174.01 1bwm s LEU 79 N -3.13 2.36 -0.05 0.37 2.01 -0.96 -1.60 118.68 117.68 1bwm s LEU 79 Ca 0.27 -0.77 0.19 0.00 0.01 0.00 0.00 54.13 53.83 1bwm s LEU 79 Cb -0.00 -0.92 0.37 0.00 0.01 0.00 0.00 46.19 45.65 1bwm s LEU 79 CO 0.14 0.04 1.16 -0.62 1.01 0.00 0.00 176.35 178.09 1bwm n GLU 80 N 0.71 0.42 -2.71 1.70 4.71 -1.24 -2.56 120.64 121.66 1bwm n GLU 80 Ca -0.16 -2.21 -0.06 0.00 -0.01 0.00 0.00 57.16 54.71 1bwm n GLU 80 Cb 0.55 -0.49 0.05 0.00 -1.01 0.00 0.00 31.44 30.54 1bwm n GLU 80 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1bwm n LEU 81 N -0.01 -2.23 -4.65 -4.62 7.94 -1.26 -4.89 117.00 107.28 1bwm n LEU 81 Ca 0.09 -2.48 -0.35 0.00 -1.11 0.00 0.00 56.01 52.16 1bwm n LEU 81 Cb 0.97 0.70 -0.10 0.00 0.53 0.00 0.00 43.42 45.52 1bwm n LEU 81 CO -0.03 1.76 -0.29 0.00 -1.11 0.00 0.00 177.39 177.72 1bwm s ALA 82 N 0.53 3.32 0.41 1.96 0.00 -1.26 -4.89 121.76 121.82 1bwm s ALA 82 Ca 0.29 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1bwm s ALA 82 Cb 0.19 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1bwm s ALA 82 CO -0.15 0.39 0.20 0.95 0.00 0.00 0.00 175.76 177.15 1bwm s THR 83 N -0.27 2.39 -0.09 0.00 -4.23 -1.26 -0.32 115.64 111.86 1bwm s THR 83 Ca 0.07 -1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1bwm s THR 83 Cb -0.12 -2.99 -0.08 0.00 1.34 0.00 0.00 72.50 70.64 1bwm s THR 83 CO 0.02 -0.02 1.56 -0.81 -0.54 0.00 0.00 174.62 174.84 1bwm n PRO 84 N -1.26 0.76 0.00 3.99 -0.05 -1.25 -2.35 135.00 134.84 1bwm n PRO 84 Ca -0.01 -0.46 0.00 0.00 -0.05 0.00 0.00 63.50 62.98 1bwm n PRO 84 Cb 0.64 -1.77 0.00 0.00 -0.05 0.00 0.00 33.50 32.32 1bwm n PRO 84 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1bwm n SER 85 N 3.12 0.00 0.00 3.54 7.64 -1.26 -4.99 113.62 121.67 1bwm n SER 85 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1bwm n SER 85 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n GLN 86 N 0.00 0.00 -0.30 1.43 1.13 -0.99 -5.12 117.38 113.53 1bwm n GLN 86 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1bwm n GLN 86 Cb 0.00 -0.38 0.18 0.00 0.11 0.00 0.00 30.24 30.15 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1bwm n THR 87 N -0.88 0.00 -3.53 5.09 -1.04 -1.25 -4.98 114.28 107.68 1bwm n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bwm n THR 87 Cb 0.00 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 -3.19 0.00 -4.62 8.00 7.64 -1.03 -4.94 113.62 115.47 1bwm n SER 88 Ca 0.08 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.61 1bwm n SER 88 Cb 0.36 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 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 4.87 -0.10 0.44 1.01 -1.24 -2.31 120.40 120.07 1bwm s VAL 89 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1bwm s VAL 89 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1bwm s VAL 89 CO 0.00 0.42 0.33 -0.31 0.00 0.00 0.00 175.10 175.55 1bwm s TYR 90 N 0.64 3.58 0.08 5.22 2.02 0.12 -2.40 117.35 126.60 1bwm s TYR 90 Ca 0.04 0.76 -0.07 0.00 -0.37 0.00 0.00 57.07 57.43 1bwm s TYR 90 Cb -0.13 -2.29 -0.01 0.00 -0.40 0.00 0.00 41.96 39.13 1bwm s TYR 90 CO 0.01 0.44 0.13 0.12 -1.57 0.00 0.00 175.55 174.68 1bwm s PHE 91 N -0.25 0.24 -0.18 2.71 2.19 -0.87 -2.13 117.98 119.69 1bwm s PHE 91 Ca 0.20 -0.69 -0.15 0.00 0.33 0.00 0.00 56.93 56.62 1bwm s PHE 91 Cb -0.14 -0.14 0.05 0.00 -1.31 0.00 0.00 43.02 41.47 1bwm s PHE 91 CO 0.08 -0.49 0.47 0.00 1.83 0.00 0.00 175.22 177.10 1bwm s ALA 93 N 0.55 0.36 0.00 0.00 0.00 -1.10 -4.39 121.76 117.19 1bwm s ALA 93 Ca -0.02 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1bwm s ALA 93 Cb -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1bwm s ALA 93 CO -0.03 -0.38 -0.11 -1.54 0.00 0.00 0.00 175.76 173.70 1bwm s SER 94 N -2.83 1.29 0.34 0.00 1.04 -1.26 -2.35 113.70 109.92 1bwm s SER 94 Ca 0.05 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.30 1bwm s SER 94 Cb 0.07 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1bwm s SER 94 CO -0.10 0.10 0.33 -0.83 0.98 0.00 0.00 173.24 173.73 1bwm s GLY 95 N -0.43 2.21 0.00 7.32 0.00 -1.24 -2.63 107.32 112.56 1bwm s GLY 95 Ca 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1bwm s GLY 95 CO -0.00 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.33 1bwm n GLY 96 N -0.63 4.41 3.59 0.20 0.00 -1.26 -2.03 105.19 109.48 1bwm n GLY 96 Ca 0.06 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1bwm n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwm s GLN 97 N 2.44 2.17 0.00 1.61 -1.52 -1.26 -4.67 119.66 118.44 1bwm s GLN 97 Ca 0.00 -1.09 0.00 0.00 -1.95 0.00 0.00 55.36 52.32 1bwm s GLN 97 Cb 0.00 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.50 1bwm s GLN 97 CO 0.00 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 175.93 1bwm n GLY 98 N 0.42 0.51 2.93 3.09 0.00 -1.26 -4.77 105.19 106.11 1bwm n GLY 98 Ca -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1bwm n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm n ARG 99 N -0.17 -2.11 -4.35 1.61 1.74 -1.26 -5.02 116.66 107.10 1bwm n ARG 99 Ca 0.00 1.92 -0.19 0.00 -0.77 0.00 0.00 57.85 58.81 1bwm n ARG 99 Cb 0.09 -3.50 -0.13 0.00 -1.02 0.00 0.00 32.46 27.89 1bwm n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bwm s ALA 104 N -1.38 1.08 0.35 7.54 0.00 -1.26 -5.07 121.76 123.01 1bwm s ALA 104 Ca 0.01 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 1bwm s ALA 104 Cb -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 1bwm s ALA 104 CO 0.46 0.20 0.94 -1.21 0.00 0.00 0.00 175.76 176.15 1bwm s GLU 105 N -1.01 4.49 0.76 0.00 2.02 -1.26 -4.74 118.70 118.97 1bwm s GLU 105 Ca 0.01 1.27 -0.13 0.00 0.02 0.00 0.00 54.97 56.14 1bwm s GLU 105 Cb -0.07 -2.65 0.06 0.00 0.10 0.00 0.00 34.13 31.56 1bwm s GLU 105 CO 0.01 0.21 1.16 -0.65 0.02 0.00 0.00 175.26 176.01 1bwm s GLN 106 N -2.33 2.02 -0.21 1.61 -1.52 -1.26 -4.80 119.66 113.18 1bwm s GLN 106 Ca 0.53 1.57 0.14 0.00 -1.95 0.00 0.00 55.36 55.64 1bwm s GLN 106 Cb -0.16 -1.84 0.45 0.00 -0.22 0.00 0.00 33.01 31.23 1bwm s GLN 106 CO 0.21 -1.88 1.19 1.19 -0.25 0.00 0.00 175.29 175.75 1bwm n PHE 107 N -3.11 1.05 -0.87 0.91 3.72 -1.08 -4.81 117.46 113.26 1bwm n PHE 107 Ca 0.12 -1.66 -0.29 0.00 -0.05 0.00 0.00 57.45 55.57 1bwm n PHE 107 Cb 0.51 -0.26 0.19 0.00 -0.94 0.00 0.00 39.48 38.99 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 -2.93 1.80 0.00 1.38 -0.12 -1.26 -4.44 117.98 112.41 1bwm s PHE 108 Ca 0.40 1.25 0.00 0.00 -0.05 0.00 0.00 56.93 58.53 1bwm s PHE 108 Cb 0.38 -3.18 0.00 0.00 -0.63 0.00 0.00 43.02 39.59 1bwm s PHE 108 CO -0.05 -3.14 0.00 0.41 -0.05 0.00 0.00 175.22 172.40 1bwm n GLY 109 N -0.19 6.64 3.66 1.99 0.00 -1.15 -4.97 105.19 111.17 1bwm n GLY 109 Ca 0.06 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 1.40 4.14 0.00 1.61 0.01 -1.26 -4.84 135.00 136.05 1bwm s PRO 110 Ca 0.00 2.61 0.00 0.00 0.01 0.00 0.00 61.00 63.62 1bwm s PRO 110 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 34.50 30.35 1bwm s PRO 110 CO 0.00 -0.96 0.00 0.41 0.01 0.00 0.00 177.00 176.46 1bwm n GLY 111 N 4.55 1.13 3.33 0.52 0.00 -1.26 -3.41 105.19 110.06 1bwm n GLY 111 Ca 0.20 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 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 0.52 1.86 -0.15 2.61 2.01 -0.91 -4.96 115.64 116.62 1bwm s THR 112 Ca 0.00 -1.82 -0.04 0.00 0.31 0.00 0.00 61.69 60.14 1bwm s THR 112 Cb 0.00 -1.80 0.07 0.00 0.01 0.00 0.00 72.50 70.78 1bwm s THR 112 CO 0.00 -0.21 0.23 0.00 -0.69 0.00 0.00 174.62 173.95 1bwm s ARG 113 N -2.52 0.15 0.04 4.92 1.04 -1.26 0.12 118.95 121.44 1bwm s ARG 113 Ca 0.14 0.50 0.01 0.00 -1.04 0.00 0.00 55.73 55.33 1bwm s ARG 113 Cb -0.07 -0.54 -0.03 0.00 -2.04 0.00 0.00 34.95 32.27 1bwm s ARG 113 CO 0.06 -0.44 -0.05 -0.48 -0.04 0.00 0.00 175.30 174.35 1bwm s LEU 114 N 2.36 2.31 0.31 -1.89 0.05 -0.98 -4.80 118.68 116.05 1bwm s LEU 114 Ca 0.04 -0.64 0.08 0.00 0.05 0.00 0.00 54.13 53.67 1bwm s LEU 114 Cb -0.14 0.02 -0.06 0.00 -2.05 0.00 0.00 46.19 43.97 1bwm s LEU 114 CO -0.10 -0.33 -0.09 -0.89 -0.55 0.00 0.00 176.35 174.39 1bwm s THR 115 N -2.01 1.99 -0.04 5.48 2.01 -1.26 -2.46 115.64 119.33 1bwm s THR 115 Ca -0.08 -2.18 0.07 0.00 0.31 0.00 0.00 61.69 59.80 1bwm s THR 115 Cb -0.06 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1bwm s THR 115 CO -0.02 -0.26 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.70 1bwm s VAL 116 N -2.79 2.03 0.17 3.82 1.01 -1.26 -1.78 120.40 121.62 1bwm s VAL 116 Ca 0.31 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1bwm s VAL 116 Cb 0.03 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1bwm s VAL 116 CO 0.14 0.57 0.17 -0.22 0.00 0.00 0.00 175.10 175.76 1bwm s LEU 116 N -0.30 3.89 0.00 3.92 0.20 -1.15 -3.84 118.68 121.39 1bwm s LEU 116 Ca 0.01 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.73 1bwm s LEU 116 Cb -0.12 -2.48 0.00 0.00 -0.43 0.00 0.00 46.19 43.16 1bwm s LEU 116 CO 0.02 0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.74 1bwm n GLY 201 N -0.49 0.55 3.90 7.98 0.00 -1.26 0.14 105.19 116.02 1bwm n GLY 201 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1bwm n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwm s SER 202 N -1.00 5.80 0.34 1.61 1.04 -1.26 -4.42 113.70 115.81 1bwm s SER 202 Ca 0.00 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.29 1bwm s SER 202 Cb 0.00 -1.43 0.61 0.00 0.10 0.00 0.00 66.02 65.30 1bwm s SER 202 CO 0.00 -0.18 1.88 0.44 0.98 0.00 0.00 173.24 176.36 1bwm h ASP 203 N 1.24 0.48 -3.60 7.02 5.19 -2.07 -3.31 116.42 121.36 1bwm h ASP 203 Ca -0.48 -0.09 -0.77 0.00 -0.62 0.00 0.00 57.03 55.07 1bwm h ASP 203 Cb 1.24 -0.12 -0.30 0.00 0.18 0.00 0.00 39.33 40.33 1bwm h ASP 203 CO 0.59 0.55 0.20 -0.47 -3.12 0.00 0.00 179.24 176.99 1bwm s TYR 204 N -4.95 4.03 0.10 4.55 5.04 -1.26 -4.84 117.35 120.01 1bwm s TYR 204 Ca -0.07 -2.65 -0.07 0.00 -2.44 0.00 0.00 57.07 51.84 1bwm s TYR 204 Cb 0.15 -3.65 -0.16 0.00 0.35 0.00 0.00 41.96 38.65 1bwm s TYR 204 CO 0.76 -0.90 1.24 -0.22 -1.34 0.00 0.00 175.55 175.09 1bwm h LYS 205 N 6.74 0.46 0.00 4.97 3.64 -2.00 -3.49 116.57 126.89 1bwm h LYS 205 Ca 0.15 -0.54 0.22 0.00 -1.27 0.00 0.00 60.65 59.21 1bwm h LYS 205 Cb 0.90 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1bwm h LYS 205 CO 0.90 1.19 -0.29 -3.47 -2.27 0.00 0.00 179.45 175.51 1bwm n ASP 206 N -3.74 -5.47 -4.43 4.20 -0.08 -1.26 -4.89 116.55 100.87 1bwm n ASP 206 Ca -0.08 0.88 -0.23 0.00 -1.51 0.00 0.00 54.79 53.84 1bwm n ASP 206 Cb 0.89 -2.61 -0.10 0.00 2.34 0.00 0.00 41.12 41.63 1bwm n ASP 206 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1bwm s ASP 207 N -4.94 3.35 -0.27 1.67 1.01 -1.26 -5.15 116.67 111.08 1bwm s ASP 207 Ca 0.00 -0.99 -0.24 0.00 0.71 0.00 0.00 52.55 52.03 1bwm s ASP 207 Cb 0.00 -0.26 0.08 0.00 1.01 0.00 0.00 42.92 43.75 1bwm s ASP 207 CO 0.00 0.01 0.76 -0.62 0.21 0.00 0.00 175.17 175.54 1bwm s ASP 208 N -3.30 -0.72 -0.46 0.27 -1.08 -1.26 -5.05 116.67 105.07 1bwm s ASP 208 Ca 0.26 1.37 0.04 0.00 -0.52 0.00 0.00 52.55 53.70 1bwm s ASP 208 Cb -0.05 1.38 0.44 0.00 -1.46 0.00 0.00 42.92 43.23 1bwm s ASP 208 CO 0.12 -0.23 1.46 -0.67 0.52 0.00 0.00 175.17 176.37 1bwm n ASP 209 N 2.78 5.82 0.00 -0.34 2.03 -1.26 -4.46 116.55 121.12 1bwm n ASP 209 Ca -0.14 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.40 1bwm n ASP 209 Cb 0.55 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1bwm n ASP 209 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1bwm n LYS 210 N -0.71 0.00 -1.20 -0.67 4.81 -1.26 -4.91 118.16 114.22 1bwm n LYS 210 Ca 0.49 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.70 1bwm n LYS 210 Cb 0.77 -0.05 0.16 0.00 0.02 0.00 0.00 35.03 35.93 1bwm n LYS 210 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bwm n ARG 211 N -2.21 2.31 -3.55 1.64 1.74 -1.26 -4.96 116.66 110.37 1bwm n ARG 211 Ca 0.00 -3.14 -0.24 0.00 -0.77 0.00 0.00 57.85 53.70 1bwm n ARG 211 Cb 0.00 -2.14 0.02 0.00 -1.02 0.00 0.00 32.46 29.33 1bwm n ARG 211 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1bwm s SER 212 N -1.73 4.81 -1.00 0.55 0.01 -1.26 -4.99 113.70 110.09 1bwm s SER 212 Ca 0.56 -1.09 -0.24 0.00 1.31 0.00 0.00 55.95 56.49 1bwm s SER 212 Cb 0.47 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 67.03 1bwm s SER 212 CO 0.06 -1.21 1.90 -0.83 0.41 0.00 0.00 173.24 173.58 1bwm s GLY 213 N -4.44 0.29 -0.36 3.44 0.00 -1.26 -4.79 107.32 100.20 1bwm s GLY 213 Ca 0.45 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 43.42 1bwm s GLY 213 CO 0.28 3.43 0.39 -0.32 0.00 0.00 0.00 173.10 176.89 1bwm s GLY 214 N 7.27 -0.18 0.00 0.20 0.00 -1.26 -5.14 107.32 108.22 1bwm s GLY 214 Ca 0.67 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1bwm s GLY 214 CO 0.03 2.83 0.00 0.61 0.00 0.00 0.00 173.10 176.57 1bwm n GLY 215 N 4.43 7.15 0.13 0.20 0.00 -1.26 -5.07 105.19 110.77 1bwm n GLY 215 Ca 0.09 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.88 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 5.00 -0.57 2.02 -0.02 0.00 -1.26 -4.99 105.19 105.36 1bwm n GLY 216 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1bwm n GLY 216 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 217 N -3.72 -0.32 0.00 1.61 7.64 -1.26 -5.13 113.62 112.44 1bwm n SER 217 Ca -0.37 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1bwm n SER 217 Cb 0.94 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 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 -0.73 1.22 2.93 0.23 0.00 -1.26 -5.06 105.19 102.52 1bwm n GLY 218 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1bwm n GLY 218 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 219 N 0.00 2.00 0.00 -0.02 0.00 -1.26 -4.90 107.32 103.14 1bwm s GLY 219 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 44.72 42.01 1bwm s GLY 219 CO 0.00 1.10 0.00 0.61 0.00 0.00 0.00 173.10 174.81 1bwm n GLY 220 N 3.84 1.88 2.57 0.20 0.00 -1.26 -4.29 105.19 108.13 1bwm n GLY 220 Ca 0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1bwm n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 221 N 0.00 0.91 1.54 -0.02 0.00 -1.26 -4.87 105.19 101.48 1bwm n GLY 221 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1bwm n GLY 221 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 222 N 1.72 2.22 0.00 1.61 2.88 -1.26 -4.88 113.62 115.91 1bwm n SER 222 Ca 0.14 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1bwm n SER 222 Cb 0.59 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.51 -1.82 2.83 0.46 0.00 -1.26 -5.07 105.19 99.82 1bwm n GLY 223 Ca 0.19 0.75 -0.42 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 5.63 2.71 -0.02 0.00 -1.26 -4.90 105.19 107.34 1bwm n GLY 224 Ca 0.00 -2.62 -0.21 0.00 0.00 0.00 0.00 46.02 43.20 1bwm n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 225 N -1.55 1.64 0.00 1.61 0.01 -1.26 -5.10 113.70 109.05 1bwm s SER 225 Ca 0.35 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1bwm s SER 225 Cb 0.12 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1bwm s SER 225 CO -0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1bwm n GLY 226 N 5.31 -1.66 0.00 3.44 0.00 -1.26 -5.25 105.19 105.77 1bwm n GLY 226 Ca -0.06 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.08 0.00 -0.22 4.61 0.00 -1.26 -5.19 120.51 118.37 1bwm n ALA 227 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 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 1.04 0.00 0.00 0.00 177.50 178.54 1bwm n GLN 301 N 0.00 0.00 0.01 0.00 6.02 -1.26 -5.17 117.38 116.98 1bwm n GLN 301 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1bwm n GLN 301 Cb 0.00 -0.16 -0.00 0.00 1.02 0.00 0.00 30.24 31.09 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bwm n GLN 302 N 0.19 0.02 -1.64 -1.09 1.13 -1.26 -5.01 117.38 109.72 1bwm n GLN 302 Ca 0.02 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.67 1bwm n GLN 302 Cb 0.05 -0.54 -0.00 0.00 0.11 0.00 0.00 30.24 29.86 1bwm n GLN 302 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1bwm n VAL 303 N -3.21 2.15 -3.31 5.09 0.31 -1.25 -4.32 118.33 113.78 1bwm n VAL 303 Ca -0.02 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.74 1bwm n VAL 303 Cb 0.35 -1.27 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 1bwm n VAL 303 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1bwm s ARG 304 N -1.83 0.40 -0.63 5.55 3.52 -1.09 -4.20 118.95 120.66 1bwm s ARG 304 Ca 0.59 0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 56.47 1bwm s ARG 304 Cb -0.60 -0.31 0.16 0.00 -1.56 0.00 0.00 34.95 32.64 1bwm s ARG 304 CO 0.60 -0.81 0.56 -1.14 -0.81 0.00 0.00 175.30 173.69 1bwm s GLN 305 N 2.58 3.07 -0.24 5.12 -0.44 -1.25 -1.62 119.66 126.87 1bwm s GLN 305 Ca 0.12 -2.04 -0.11 0.00 -2.50 0.00 0.00 55.36 50.84 1bwm s GLN 305 Cb -0.14 -4.23 0.02 0.00 -1.64 0.00 0.00 33.01 27.02 1bwm s GLN 305 CO -0.22 -1.28 0.23 0.43 0.50 0.00 0.00 175.29 174.94 1bwm n SER 306 N 4.62 -6.94 -3.30 6.67 7.64 0.51 -3.57 113.62 119.24 1bwm n SER 306 Ca -0.02 0.58 -0.26 0.00 1.01 0.00 0.00 58.87 60.18 1bwm n SER 306 Cb 0.42 -3.15 -0.04 0.00 -1.01 0.00 0.00 64.21 60.43 1bwm n SER 306 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bwm n PRO 307 N 0.60 1.02 0.00 1.43 -0.05 -1.26 -4.38 135.00 132.36 1bwm n PRO 307 Ca -0.00 -1.23 0.00 0.00 -0.05 0.00 0.00 63.50 62.22 1bwm n PRO 307 Cb 0.40 -2.46 0.00 0.00 -0.05 0.00 0.00 33.50 31.39 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 5.82 0.00 -1.51 0.54 6.02 -1.26 -5.16 117.38 121.83 1bwm n GLN 308 Ca 0.35 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 57.01 1bwm n GLN 308 Cb 0.22 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.55 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1bwm s SER 309 N 0.00 4.64 0.22 1.08 0.01 -1.26 -4.90 113.70 113.50 1bwm s SER 309 Ca 0.00 2.04 -0.07 0.00 1.31 0.00 0.00 55.95 59.23 1bwm s SER 309 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1bwm s SER 309 CO 0.00 -1.95 0.43 0.00 0.41 0.00 0.00 173.24 172.13 1bwm n LEU 310 N -2.84 0.00 -4.39 2.44 -0.00 -1.23 -4.99 117.00 105.99 1bwm n LEU 310 Ca 0.11 -1.52 -0.33 0.00 -0.00 0.00 0.00 56.01 54.27 1bwm n LEU 310 Cb 0.52 2.10 -0.14 0.00 -0.00 0.00 0.00 43.42 45.89 1bwm n LEU 310 CO 0.49 -0.48 -0.46 -0.89 -0.00 0.00 0.00 177.39 176.05 1bwm s THR 311 N -2.51 2.94 1.11 1.47 2.01 -1.26 -2.62 115.64 116.78 1bwm s THR 311 Ca 0.10 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 1bwm s THR 311 Cb -0.02 -2.19 0.25 0.00 0.01 0.00 0.00 72.50 70.55 1bwm s THR 311 CO 0.08 0.55 1.05 0.54 -0.69 0.00 0.00 174.62 176.15 1bwm s VAL 312 N -0.05 2.06 -1.24 3.82 0.11 -0.33 -4.89 120.40 119.86 1bwm s VAL 312 Ca -0.03 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.12 1bwm s VAL 312 Cb -0.14 -2.18 0.37 0.00 -1.53 0.00 0.00 36.38 32.90 1bwm s VAL 312 CO 0.04 -0.02 1.18 0.79 -3.33 0.00 0.00 175.10 173.76 1bwm n TRP 313 N -4.71 0.78 -2.35 1.54 8.01 -1.26 -4.51 117.44 114.94 1bwm n TRP 313 Ca 0.04 -0.30 -0.00 0.00 -1.31 0.00 0.00 57.50 55.92 1bwm n TRP 313 Cb 0.55 -0.17 -0.00 0.00 -2.01 0.00 0.00 31.31 29.68 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1bwm n GLU 314 N 0.42 -5.12 -1.80 -0.99 0.00 -1.26 -4.34 120.64 107.55 1bwm n GLU 314 Ca 0.13 3.73 -0.14 0.00 0.00 0.00 0.00 57.16 60.87 1bwm n GLU 314 Cb 0.53 -4.72 -0.04 0.00 0.00 0.00 0.00 31.44 27.22 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 1.81 0.71 0.00 8.31 0.00 -0.88 -4.98 105.19 110.17 1bwm n GLY 315 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.49 3.97 -4.64 1.61 4.07 -1.26 -4.66 120.64 117.23 1bwm n GLU 316 Ca -0.16 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.65 1bwm n GLU 316 Cb 0.54 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.83 1bwm n GLU 316 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1bwm s THR 317 N 1.60 1.28 0.15 6.31 -1.32 -1.26 -2.77 115.64 119.63 1bwm s THR 317 Ca 0.00 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.29 1bwm s THR 317 Cb 0.00 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.55 1bwm s THR 317 CO 0.00 0.00 0.49 -0.89 -2.21 0.00 0.00 174.62 172.01 1bwm s THR 318 N -2.94 0.04 -0.13 5.08 2.01 -0.65 -4.68 115.64 114.37 1bwm s THR 318 Ca 0.20 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1bwm s THR 318 Cb 0.05 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.43 1bwm s THR 318 CO 0.10 -0.17 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.19 1bwm s ILE 319 N -3.79 0.83 0.34 1.82 1.09 -1.26 -2.65 121.20 117.57 1bwm s ILE 319 Ca 0.03 -0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.34 1bwm s ILE 319 Cb 0.00 -0.98 -0.01 0.00 -1.06 0.00 0.00 42.46 40.41 1bwm s ILE 319 CO -0.11 0.21 0.47 -0.76 -0.10 0.00 0.00 174.94 174.64 1bwm s LEU 320 N 1.77 3.92 -0.25 2.97 1.02 -1.08 -4.94 118.68 122.09 1bwm s LEU 320 Ca 0.03 -0.23 -0.03 0.00 0.02 0.00 0.00 54.13 53.93 1bwm s LEU 320 Cb -0.14 -2.71 0.14 0.00 0.02 0.00 0.00 46.19 43.50 1bwm s LEU 320 CO -0.07 -0.46 0.42 0.20 0.02 0.00 0.00 176.35 176.46 1bwm s ASN 321 N -4.18 -0.09 0.22 2.29 0.01 -1.26 -2.58 114.94 109.36 1bwm s ASN 321 Ca 0.46 0.40 0.05 0.00 -0.71 0.00 0.00 52.86 53.06 1bwm s ASN 321 Cb -0.09 1.32 -0.03 0.00 0.41 0.00 0.00 41.25 42.86 1bwm s ASN 321 CO 0.31 -0.29 0.27 0.00 -1.51 0.00 0.00 177.10 175.88 1bwm s SER 323 N -3.74 0.34 -0.28 0.00 1.04 -0.64 -1.16 113.70 109.25 1bwm s SER 323 Ca 0.33 -1.36 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 1bwm s SER 323 Cb -0.09 0.45 0.12 0.00 0.10 0.00 0.00 66.02 66.60 1bwm s SER 323 CO 0.27 -0.94 0.87 -0.72 0.98 0.00 0.00 173.24 173.70 1bwm s TYR 324 N -3.99 -0.74 -0.44 5.02 1.13 -1.26 -2.69 117.35 114.39 1bwm s TYR 324 Ca 0.36 1.52 0.04 0.00 -1.41 0.00 0.00 57.07 57.58 1bwm s TYR 324 Cb 0.05 0.44 0.50 0.00 -1.10 0.00 0.00 41.96 41.84 1bwm s TYR 324 CO 0.14 -0.36 1.66 0.39 -2.51 0.00 0.00 175.55 174.86 1bwm n GLU 325 N 3.63 2.63 -4.41 -3.49 -0.58 -1.26 -4.99 120.64 112.17 1bwm n GLU 325 Ca -0.18 -3.45 -0.25 0.00 -0.42 0.00 0.00 57.16 52.86 1bwm n GLU 325 Cb 0.58 -2.15 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 1bwm n GLU 325 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bwm s ASP 326 N -2.39 4.02 -0.03 1.62 1.11 -1.26 -5.05 116.67 114.69 1bwm s ASP 326 Ca 0.55 -1.07 0.22 0.00 0.18 0.00 0.00 52.55 52.42 1bwm s ASP 326 Cb 0.45 -0.47 0.39 0.00 1.07 0.00 0.00 42.92 44.37 1bwm s ASP 326 CO 0.02 -0.23 1.16 -0.24 1.18 0.00 0.00 175.17 177.06 1bwm n SER 327 N -0.90 1.05 -1.03 0.27 2.88 -1.26 -4.81 113.62 109.83 1bwm n SER 327 Ca -0.04 -2.31 0.04 0.00 -1.33 0.00 0.00 58.87 55.23 1bwm n SER 327 Cb 0.63 -0.33 0.07 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.18 0.70 -4.16 2.46 5.66 -1.26 -5.08 114.28 112.79 1bwm n THR 328 Ca 0.08 -1.53 -0.07 0.00 -3.05 0.00 0.00 64.05 59.48 1bwm n THR 328 Cb 1.04 0.52 -0.02 0.00 -1.55 0.00 0.00 70.33 70.32 1bwm n THR 328 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1bwm n PHE 329 N -0.12 0.12 0.00 1.09 3.72 -1.26 -4.36 117.46 116.65 1bwm n PHE 329 Ca 0.09 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 1bwm n PHE 329 Cb 0.93 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 1bwm n PHE 329 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1bwm n ASP 330 N -1.66 0.00 -4.73 4.37 2.03 -1.26 -4.61 116.55 110.69 1bwm n ASP 330 Ca -0.03 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.93 1bwm n ASP 330 Cb 0.17 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.49 1bwm n ASP 330 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1bwm s TYR 331 N -0.84 3.42 -0.61 -0.67 2.02 -1.26 -4.40 117.35 115.02 1bwm s TYR 331 Ca 0.00 0.37 0.05 0.00 -0.37 0.00 0.00 57.07 57.12 1bwm s TYR 331 Cb 0.00 -2.18 0.20 0.00 -0.40 0.00 0.00 41.96 39.58 1bwm s TYR 331 CO 0.00 0.29 0.54 1.19 -1.57 0.00 0.00 175.55 176.00 1bwm n PHE 332 N 3.49 2.25 -1.64 2.71 3.01 -1.26 0.84 117.46 126.86 1bwm n PHE 332 Ca -0.16 -4.02 -0.42 0.00 1.01 0.00 0.00 57.45 53.87 1bwm n PHE 332 Cb 0.52 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 1bwm n PHE 332 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1bwm s PRO 333 N -1.43 2.95 -1.05 -1.08 0.01 -1.26 -4.30 135.00 128.84 1bwm s PRO 333 Ca 0.31 1.84 -0.23 0.00 0.01 0.00 0.00 61.00 62.93 1bwm s PRO 333 Cb 0.04 -4.40 -0.06 0.00 0.01 0.00 0.00 34.50 30.09 1bwm s PRO 333 CO -0.13 -2.32 1.93 -1.58 0.01 0.00 0.00 177.00 174.91 1bwm s TRP 334 N 8.93 1.91 1.32 6.54 0.52 -1.01 -4.37 118.94 132.78 1bwm s TRP 334 Ca 0.98 0.48 -0.21 0.00 0.02 0.00 0.00 56.10 57.37 1bwm s TRP 334 Cb -0.29 -4.05 0.33 0.00 -1.15 0.00 0.00 33.47 28.32 1bwm s TRP 334 CO 0.33 -1.49 1.00 0.71 0.02 0.00 0.00 176.95 177.52 1bwm s TYR 335 N 10.34 -0.06 -0.08 -1.98 2.02 -0.53 -2.68 117.35 124.38 1bwm s TYR 335 Ca 0.69 0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 57.95 1bwm s TYR 335 Cb -0.04 -3.11 0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1bwm s TYR 335 CO 0.06 -4.50 0.18 0.50 -1.57 0.00 0.00 175.55 170.22 1bwm s ARG 336 N -5.14 0.12 -0.21 -0.62 3.52 -0.67 -0.28 118.95 115.67 1bwm s ARG 336 Ca 0.69 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 56.75 1bwm s ARG 336 Cb -0.13 -0.16 0.04 0.00 -1.56 0.00 0.00 34.95 33.13 1bwm s ARG 336 CO 0.58 -0.17 -0.15 -1.14 -0.81 0.00 0.00 175.30 173.60 1bwm s GLN 337 N 1.27 2.58 0.58 5.12 0.74 0.10 -1.99 119.66 128.07 1bwm s GLN 337 Ca -0.09 -1.02 -0.08 0.00 0.05 0.00 0.00 55.36 54.22 1bwm s GLN 337 Cb -0.11 -2.67 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 1bwm s GLN 337 CO -0.07 -0.37 0.93 -0.06 -0.55 0.00 0.00 175.29 175.17 1bwm s PHE 338 N 1.23 3.44 0.52 1.67 0.08 -1.26 -1.96 117.98 121.70 1bwm s PHE 338 Ca -0.01 0.90 0.19 0.00 0.12 0.00 0.00 56.93 58.13 1bwm s PHE 338 Cb -0.16 -2.66 1.34 0.00 -0.57 0.00 0.00 43.02 40.97 1bwm s PHE 338 CO -0.09 -0.70 2.14 -1.35 -0.10 0.00 0.00 175.22 175.12 1bwm h PRO 339 N -0.17 0.00 0.00 0.24 0.10 -1.88 -3.40 132.00 126.89 1bwm h PRO 339 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.65 1bwm h PRO 339 Cb 1.23 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.33 1bwm h PRO 339 CO 0.62 0.03 0.00 0.41 0.10 0.00 0.00 178.00 179.16 1bwm n GLY 340 N -1.39 0.00 0.22 -0.55 0.00 -1.26 -5.08 105.19 97.13 1bwm n GLY 340 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1bwm n GLY 340 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bwm n LYS 341 N 0.00 0.00 -2.92 1.61 3.00 -1.26 -5.08 118.16 113.51 1bwm n LYS 341 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1bwm n LYS 341 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 34.90 1bwm n LYS 341 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1bwm s SER 342 N -2.24 -0.46 1.15 3.14 0.15 -1.26 -5.07 113.70 109.12 1bwm s SER 342 Ca 0.00 -0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.38 1bwm s SER 342 Cb 0.00 0.80 0.25 0.00 -1.71 0.00 0.00 66.02 65.36 1bwm s SER 342 CO 0.00 -0.06 0.84 -2.65 1.20 0.00 0.00 173.24 172.57 1bwm n PRO 343 N 4.19 -2.21 0.00 5.44 -0.01 -1.26 -4.78 135.00 136.38 1bwm n PRO 343 Ca 0.07 -0.61 0.00 0.00 -0.01 0.00 0.00 63.50 62.95 1bwm n PRO 343 Cb 0.61 -2.09 0.00 0.00 -0.01 0.00 0.00 33.50 32.01 1bwm n PRO 343 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bwm n ALA 344 N -4.84 0.00 -1.80 3.55 0.00 -0.84 -4.92 120.51 111.65 1bwm n ALA 344 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 1bwm n ALA 344 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1bwm n ALA 344 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bwm s LEU 345 N 0.00 3.86 -0.01 0.00 0.20 -1.26 -1.67 118.68 119.80 1bwm s LEU 345 Ca 0.00 1.94 -0.01 0.00 0.69 0.00 0.00 54.13 56.74 1bwm s LEU 345 Cb 0.00 -4.54 -0.00 0.00 -0.43 0.00 0.00 46.19 41.21 1bwm s LEU 345 CO 0.00 -0.77 -0.02 0.18 -0.29 0.00 0.00 176.35 175.45 1bwm n LEU 346 N -0.92 0.16 0.00 -0.68 4.77 -1.09 -4.66 117.00 114.57 1bwm n LEU 346 Ca 0.09 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1bwm n LEU 346 Cb 0.52 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1bwm n LEU 346 CO 0.40 -0.49 0.00 2.30 -1.33 0.00 0.00 177.39 178.27 1bwm n ILE 347 N -2.66 0.00 -3.46 -0.08 -0.00 -1.26 -4.97 119.36 106.94 1bwm n ILE 347 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.63 1bwm n ILE 347 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.65 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 -1.55 -1.71 0.00 -1.28 0.00 -1.26 -2.41 121.76 113.55 1bwm s ALA 348 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1bwm s ALA 348 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1bwm s ALA 348 CO 0.00 -0.69 0.00 0.44 0.00 0.00 0.00 175.76 175.51 1bwm n ILE 349 N -0.18 0.00 -1.82 0.00 -0.00 -1.26 -4.98 119.36 111.11 1bwm n ILE 349 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 1bwm n ILE 349 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.27 1bwm n ILE 349 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1bwm n SER 350 N 0.00 0.00 -4.22 7.28 7.64 -1.26 -4.33 113.62 118.73 1bwm n SER 350 Ca 0.00 -1.00 -0.30 0.00 1.01 0.00 0.00 58.87 58.58 1bwm n SER 350 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1bwm n SER 350 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n LEU 351 N 0.00 -0.90 0.00 -3.43 -0.00 -1.26 -4.79 117.00 106.63 1bwm n LEU 351 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 56.01 54.81 1bwm n LEU 351 Cb 0.34 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.27 1bwm n LEU 351 CO 0.00 0.42 0.31 0.55 -0.00 0.00 0.00 177.39 178.67 1bwm n VAL 352 N -4.34 0.37 -4.27 1.47 3.14 -1.26 -5.06 118.33 108.37 1bwm n VAL 352 Ca -0.29 -0.43 -0.21 0.00 -2.96 0.00 0.00 64.34 60.44 1bwm n VAL 352 Cb 0.65 0.95 -0.12 0.00 -1.06 0.00 0.00 33.84 34.26 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1bwm s SER 353 N -0.37 2.34 0.55 6.55 0.01 -1.26 -5.01 113.70 116.51 1bwm s SER 353 Ca 0.00 -0.75 0.27 0.00 1.31 0.00 0.00 55.95 56.79 1bwm s SER 353 Cb 0.00 -0.12 1.46 0.00 0.21 0.00 0.00 66.02 67.57 1bwm s SER 353 CO 0.00 -0.03 1.97 -1.13 0.41 0.00 0.00 173.24 174.46 1bwm h ASN 354 N 3.79 0.00 -4.77 2.44 -0.73 -1.97 -3.40 115.58 110.94 1bwm h ASN 354 Ca -0.43 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.69 1bwm h ASN 354 Cb 1.19 0.00 -0.20 0.00 0.27 0.00 0.00 38.32 39.59 1bwm h ASN 354 CO 0.45 0.00 0.19 -1.59 -0.37 0.00 0.00 177.43 176.11 1bwm s LYS 355 N -4.87 1.00 0.03 6.67 -2.85 -1.26 -2.61 119.74 115.84 1bwm s LYS 355 Ca -0.05 0.39 0.01 0.00 -1.00 0.00 0.00 55.97 55.32 1bwm s LYS 355 Cb 0.18 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.40 1bwm s LYS 355 CO 0.67 -0.28 -0.04 0.21 0.10 0.00 0.00 175.35 176.01 1bwm s LYS 356 N -0.89 0.40 -0.01 1.78 2.20 -0.93 -4.92 119.74 117.38 1bwm s LYS 356 Ca -0.09 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 1bwm s LYS 356 Cb -0.01 -0.00 -0.00 0.00 -1.51 0.00 0.00 37.83 36.30 1bwm s LYS 356 CO 0.08 -0.02 -0.09 -2.00 -0.36 0.00 0.00 175.35 172.95 1bwm s GLU 357 N -1.70 0.82 -0.43 4.03 -6.30 -1.26 0.32 118.70 114.18 1bwm s GLU 357 Ca -0.12 -0.33 0.03 0.00 -2.50 0.00 0.00 54.97 52.05 1bwm s GLU 357 Cb -0.09 -0.79 0.16 0.00 0.00 0.00 0.00 34.13 33.42 1bwm s GLU 357 CO -0.01 0.18 0.31 -0.51 0.02 0.00 0.00 175.26 175.24 1bwm s ASP 358 N -0.11 2.43 0.00 -1.70 1.11 -1.08 -4.93 116.67 112.39 1bwm s ASP 358 Ca 0.02 -2.85 0.00 0.00 0.18 0.00 0.00 52.55 49.90 1bwm s ASP 358 Cb -0.05 -0.61 0.00 0.00 1.07 0.00 0.00 42.92 43.33 1bwm s ASP 358 CO -0.00 -0.21 0.00 0.61 1.18 0.00 0.00 175.17 176.75 1bwm n GLY 359 N 3.18 2.41 2.16 0.21 0.00 -1.26 -4.52 105.19 107.37 1bwm n GLY 359 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -1.40 1.61 1.74 -1.26 -5.12 116.66 112.23 1bwm n ARG 361 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1bwm n ARG 361 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1bwm s PHE 362 N -2.00 2.18 0.24 -1.55 -0.12 -1.26 -5.00 117.98 110.46 1bwm s PHE 362 Ca 0.00 1.61 0.04 0.00 -0.05 0.00 0.00 56.93 58.53 1bwm s PHE 362 Cb 0.00 -3.34 -0.05 0.00 -0.63 0.00 0.00 43.02 39.00 1bwm s PHE 362 CO 0.00 -2.33 -0.02 -0.08 -0.05 0.00 0.00 175.22 172.74 1bwm s THR 363 N -2.25 1.14 0.20 -4.49 -1.32 -1.19 -2.64 115.64 105.08 1bwm s THR 363 Ca 0.70 -2.05 0.09 0.00 -1.21 0.00 0.00 61.69 59.23 1bwm s THR 363 Cb -0.25 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1bwm s THR 363 CO 0.47 -0.33 -0.11 0.27 -2.21 0.00 0.00 174.62 172.71 1bwm s ILE 364 N -3.35 3.09 0.04 5.08 -0.00 0.15 -0.90 121.20 125.32 1bwm s ILE 364 Ca 0.28 -1.76 0.07 0.00 -0.00 0.00 0.00 60.65 59.24 1bwm s ILE 364 Cb 0.05 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.46 39.95 1bwm s ILE 364 CO 0.09 -0.15 -0.20 0.12 -0.00 0.00 0.00 174.94 174.80 1bwm s PHE 365 N -1.80 1.71 -0.03 1.37 2.19 0.30 -2.18 117.98 119.54 1bwm s PHE 365 Ca 0.25 -0.37 -0.28 0.00 0.33 0.00 0.00 56.93 56.86 1bwm s PHE 365 Cb -0.08 -1.02 -0.03 0.00 -1.31 0.00 0.00 43.02 40.58 1bwm s PHE 365 CO 0.15 0.08 0.90 0.12 1.83 0.00 0.00 175.22 178.30 1bwm s PHE 366 N -0.80 3.62 -0.34 10.12 2.19 -1.07 -2.34 117.98 129.35 1bwm s PHE 366 Ca 0.06 1.56 0.04 0.00 0.33 0.00 0.00 56.93 58.92 1bwm s PHE 366 Cb -0.09 -3.04 0.10 0.00 -1.31 0.00 0.00 43.02 38.68 1bwm s PHE 366 CO 0.02 -0.01 0.04 1.21 1.83 0.00 0.00 175.22 178.31 1bwm s ASN 367 N 0.97 4.76 -0.03 6.13 2.47 -0.46 -4.94 114.94 123.84 1bwm s ASN 367 Ca 0.47 -2.08 0.03 0.00 0.42 0.00 0.00 52.86 51.70 1bwm s ASN 367 Cb -0.20 -1.63 -0.25 0.00 -1.45 0.00 0.00 41.25 37.72 1bwm s ASN 367 CO 0.24 -0.37 0.71 0.11 -3.72 0.00 0.00 177.10 174.07 1bwm h LYS 368 N 7.64 0.14 -0.42 0.43 1.57 -1.95 0.11 116.57 124.09 1bwm h LYS 368 Ca -0.06 -0.24 0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1bwm h LYS 368 Cb 1.02 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1bwm h LYS 368 CO 0.52 0.89 0.35 0.00 -0.57 0.00 0.00 179.45 180.64 1bwm h ARG 369 N 0.04 0.00 0.00 3.15 3.08 -1.96 -2.67 114.38 116.02 1bwm h ARG 369 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1bwm h ARG 369 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1bwm h ARG 369 CO 0.11 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.10 1bwm n GLU 370 N -4.13 0.69 -3.22 0.04 2.13 -1.25 -5.03 120.64 109.86 1bwm n GLU 370 Ca 0.07 -0.26 -0.15 0.00 0.66 0.00 0.00 57.16 57.49 1bwm n GLU 370 Cb 0.54 -0.72 0.07 0.00 0.27 0.00 0.00 31.44 31.60 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bwm n LYS 371 N -0.17 -4.26 -4.07 5.31 4.81 0.21 -5.02 118.16 114.97 1bwm n LYS 371 Ca 0.00 0.79 -0.13 0.00 -0.87 0.00 0.00 58.31 58.11 1bwm n LYS 371 Cb 0.06 -5.56 -0.05 0.00 0.02 0.00 0.00 35.03 29.50 1bwm n LYS 371 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1bwm s LYS 372 N -4.81 1.75 -0.11 1.64 1.02 -0.22 -4.55 119.74 114.46 1bwm s LYS 372 Ca 0.19 -1.59 0.03 0.00 0.02 0.00 0.00 55.97 54.62 1bwm s LYS 372 Cb -0.03 0.44 0.01 0.00 -0.52 0.00 0.00 37.83 37.73 1bwm s LYS 372 CO 0.68 -0.72 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.68 1bwm s LEU 373 N -3.16 1.95 -0.10 3.17 1.02 -0.31 -1.35 118.68 119.89 1bwm s LEU 373 Ca 0.29 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1bwm s LEU 373 Cb 0.00 -1.26 -0.01 0.00 0.02 0.00 0.00 46.19 44.94 1bwm s LEU 373 CO 0.16 0.09 -0.18 -0.94 0.02 0.00 0.00 176.35 175.50 1bwm s SER 374 N 0.66 3.65 0.18 2.29 1.04 -0.99 -0.78 113.70 119.75 1bwm s SER 374 Ca -0.12 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.00 1bwm s SER 374 Cb -0.16 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 1bwm s SER 374 CO 0.03 0.20 -0.07 -0.22 0.98 0.00 0.00 173.24 174.16 1bwm s LEU 375 N 0.13 3.08 -0.02 2.42 0.20 -1.07 0.11 118.68 123.54 1bwm s LEU 375 Ca -0.09 -0.52 0.01 0.00 0.69 0.00 0.00 54.13 54.22 1bwm s LEU 375 Cb -0.15 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 1bwm s LEU 375 CO 0.06 0.10 -0.01 -1.00 -0.29 0.00 0.00 176.35 175.21 1bwm s HIS 376 N -1.70 3.07 -0.29 5.38 3.76 -0.07 -2.63 115.29 122.81 1bwm s HIS 376 Ca 0.26 0.09 -0.03 0.00 -0.15 0.00 0.00 55.06 55.23 1bwm s HIS 376 Cb -0.09 -1.69 0.11 0.00 1.11 0.00 0.00 32.58 32.02 1bwm s HIS 376 CO 0.16 0.45 0.20 -1.50 -0.85 0.00 0.00 174.74 173.19 1bwm s ILE 377 N -1.02 -0.20 0.36 0.60 1.10 -1.09 -3.19 121.20 117.76 1bwm s ILE 377 Ca 0.18 -0.65 0.08 0.00 -0.51 0.00 0.00 60.65 59.75 1bwm s ILE 377 Cb -0.11 -0.98 -0.06 0.00 0.15 0.00 0.00 42.46 41.45 1bwm s ILE 377 CO 0.08 -0.63 0.03 0.28 -2.11 0.00 0.00 174.94 172.59 1bwm s THR 378 N 2.20 2.45 -1.20 4.00 -1.32 -1.26 -1.63 115.64 118.88 1bwm s THR 378 Ca 0.09 -1.95 -0.05 0.00 -1.21 0.00 0.00 61.69 58.58 1bwm s THR 378 Cb -0.15 -2.85 -0.02 0.00 -1.51 0.00 0.00 72.50 67.97 1bwm s THR 378 CO -0.35 -0.14 0.83 -0.67 -2.21 0.00 0.00 174.62 172.08 1bwm n ASP 379 N -0.99 -3.32 -4.49 8.08 -0.08 -1.12 -4.97 116.55 109.66 1bwm n ASP 379 Ca -0.04 -0.79 -0.23 0.00 -1.51 0.00 0.00 54.79 52.23 1bwm n ASP 379 Cb 0.63 -4.44 -0.11 0.00 2.34 0.00 0.00 41.12 39.54 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 -3.99 2.86 0.04 1.67 0.01 -1.25 -5.02 113.70 108.02 1bwm s SER 380 Ca 0.19 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1bwm s SER 380 Cb -0.04 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1bwm s SER 380 CO 0.79 -0.49 0.00 0.00 0.41 0.00 0.00 173.24 173.94 1bwm n GLN 381 N -0.73 0.00 -1.44 12.44 6.02 -1.26 -2.06 117.38 130.35 1bwm n GLN 381 Ca -0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.60 1bwm n GLN 381 Cb 0.66 0.00 0.10 0.00 1.02 0.00 0.00 30.24 32.01 1bwm n GLN 381 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1bwm s PRO 382 N -2.00 2.11 0.00 -1.09 0.04 -1.26 -4.43 135.00 128.37 1bwm s PRO 382 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1bwm s PRO 382 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1bwm s PRO 382 CO 0.00 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 175.56 1bwm n GLY 383 N 0.65 1.18 3.83 0.56 0.00 -1.26 -4.89 105.19 105.25 1bwm n GLY 383 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1bwm n GLY 383 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bwm n ASP 384 N 0.00 -2.88 -0.94 1.61 8.00 -1.26 -4.50 116.55 116.57 1bwm n ASP 384 Ca 0.00 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1bwm n ASP 384 Cb 0.00 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 1bwm n ASP 384 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bwm n SER 385 N -2.94 -5.56 -3.55 -2.24 2.88 -1.26 -4.85 113.62 96.11 1bwm n SER 385 Ca -0.13 0.73 -0.17 0.00 -1.33 0.00 0.00 58.87 57.96 1bwm n SER 385 Cb 0.60 -2.37 -0.06 0.00 -0.75 0.00 0.00 64.21 61.63 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm s ALA 386 N -2.59 -1.72 -0.31 -1.46 0.00 0.82 -4.65 121.76 111.84 1bwm s ALA 386 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 1bwm s ALA 386 Cb 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1bwm s ALA 386 CO 0.00 -0.36 0.06 0.95 0.00 0.00 0.00 175.76 176.41 1bwm s THR 387 N -0.96 3.60 -0.58 0.00 -4.23 -0.83 -0.67 115.64 111.98 1bwm s THR 387 Ca -0.09 -1.03 -0.28 0.00 -1.18 0.00 0.00 61.69 59.11 1bwm s THR 387 Cb -0.01 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1bwm s THR 387 CO 0.08 -0.05 1.33 -0.31 -0.54 0.00 0.00 174.62 175.13 1bwm s TYR 388 N 1.40 2.40 0.12 3.99 2.02 -0.71 -0.72 117.35 125.85 1bwm s TYR 388 Ca -0.01 0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.82 1bwm s TYR 388 Cb -0.18 -4.45 -0.06 0.00 -0.40 0.00 0.00 41.96 36.86 1bwm s TYR 388 CO 0.01 -1.84 0.98 -0.06 -1.57 0.00 0.00 175.55 173.07 1bwm s PHE 389 N 5.63 3.78 -0.14 2.71 0.40 0.62 -2.56 117.98 128.42 1bwm s PHE 389 Ca 0.48 1.77 -0.02 0.00 -0.60 0.00 0.00 56.93 58.56 1bwm s PHE 389 Cb -0.09 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 1bwm s PHE 389 CO 0.25 0.08 -0.07 0.00 0.70 0.00 0.00 175.22 176.18 1bwm n ALA 391 N 3.38 -0.62 -2.71 0.00 0.00 -1.26 -2.58 120.51 116.71 1bwm n ALA 391 Ca -0.18 -0.96 -0.11 0.00 0.00 0.00 0.00 53.44 52.19 1bwm n ALA 391 Cb 0.53 0.77 -0.11 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.08 0.53 -0.32 0.00 0.00 -0.66 -4.14 121.76 115.09 1bwm s ALA 392 Ca 0.15 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.35 1bwm s ALA 392 Cb -0.02 0.11 0.34 0.00 0.00 0.00 0.00 23.12 23.55 1bwm s ALA 392 CO 0.11 -0.12 1.36 -2.37 0.00 0.00 0.00 175.76 174.74 1bwm n THR 393 N 1.13 0.00 -0.09 0.00 5.66 0.25 -1.98 114.28 119.24 1bwm n THR 393 Ca -0.21 -0.99 0.20 0.00 -3.05 0.00 0.00 64.05 60.00 1bwm n THR 393 Cb 0.56 0.92 0.63 0.00 -1.55 0.00 0.00 70.33 70.89 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 1.14 0.28 0.00 1.09 0.00 -1.81 -3.40 103.07 100.37 1bwm h GLY 399 Ca -0.37 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1bwm h GLY 399 CO -0.14 0.02 0.00 1.44 0.00 0.00 0.00 176.54 177.86 1bwm n SER 400 N -4.40 0.00 -4.47 0.19 7.64 -1.26 -4.73 113.62 106.59 1bwm n SER 400 Ca 0.13 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.74 1bwm n SER 400 Cb 0.64 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.73 1bwm n SER 400 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1bwm s PHE 401 N 0.87 2.41 -1.54 1.43 -0.71 -1.26 -4.67 117.98 114.51 1bwm s PHE 401 Ca 0.00 -0.32 -0.14 0.00 -1.04 0.00 0.00 56.93 55.43 1bwm s PHE 401 Cb 0.00 -1.19 0.09 0.00 -1.21 0.00 0.00 43.02 40.71 1bwm s PHE 401 CO 0.00 0.49 0.92 0.09 -1.34 0.00 0.00 175.22 175.39 1bwm n ASN 402 N 0.25 -4.65 -3.74 1.98 4.13 -1.26 -4.95 115.26 107.01 1bwm n ASN 402 Ca -0.12 -0.77 -0.12 0.00 1.68 0.00 0.00 54.58 55.25 1bwm n ASN 402 Cb 0.56 -3.72 -0.11 0.00 -1.54 0.00 0.00 39.78 34.96 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1bwm s LYS 403 N -6.60 0.36 -0.25 3.52 2.36 -1.26 -5.02 119.74 112.85 1bwm s LYS 403 Ca 0.66 0.55 -0.03 0.00 -2.55 0.00 0.00 55.97 54.60 1bwm s LYS 403 Cb -0.33 0.08 0.14 0.00 -1.05 0.00 0.00 37.83 36.67 1bwm s LYS 403 CO 0.81 -0.09 0.41 -0.51 1.55 0.00 0.00 175.35 177.51 1bwm s LEU 404 N 0.66 -0.72 -0.28 5.43 1.43 -1.26 -4.41 118.68 119.53 1bwm s LEU 404 Ca -0.04 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1bwm s LEU 404 Cb -0.05 1.25 -0.02 0.00 0.03 0.00 0.00 46.19 47.40 1bwm s LEU 404 CO -0.04 -0.29 0.12 -0.89 0.23 0.00 0.00 176.35 175.48 1bwm s THR 405 N 2.59 4.58 0.28 5.49 2.01 -0.84 -4.90 115.64 124.85 1bwm s THR 405 Ca 0.13 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1bwm s THR 405 Cb -0.15 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1bwm s THR 405 CO -0.16 0.22 0.26 -0.36 -0.69 0.00 0.00 174.62 173.88 1bwm s PHE 406 N 1.64 3.07 -0.29 4.92 0.40 -1.26 -1.66 117.98 124.80 1bwm s PHE 406 Ca 0.06 -0.17 0.21 0.00 -0.60 0.00 0.00 56.93 56.42 1bwm s PHE 406 Cb -0.16 -1.58 0.49 0.00 0.51 0.00 0.00 43.02 42.28 1bwm s PHE 406 CO 0.06 0.37 1.08 0.41 0.70 0.00 0.00 175.22 177.84 1bwm n GLY 407 N -1.29 1.69 2.92 4.36 0.00 -1.06 -4.62 105.19 107.18 1bwm n GLY 407 Ca -0.06 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.45 -2.81 -1.00 4.61 0.00 -1.23 -4.21 120.51 115.41 1bwm n ALA 408 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1bwm n ALA 408 Cb 0.81 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 1.07 -2.31 3.59 0.00 0.00 -1.26 -3.94 105.19 102.34 1bwm n GLY 409 Ca -0.02 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 3.20 -0.53 2.61 2.01 -1.06 -4.62 115.64 117.25 1bwm s THR 410 Ca 0.00 -1.90 -0.04 0.00 0.31 0.00 0.00 61.69 60.06 1bwm s THR 410 Cb 0.00 -2.66 0.14 0.00 0.01 0.00 0.00 72.50 69.99 1bwm s THR 410 CO 0.00 -0.28 0.35 -0.60 -0.69 0.00 0.00 174.62 173.40 1bwm s ARG 411 N -3.34 2.37 0.14 4.92 3.52 -1.26 -1.74 118.95 123.57 1bwm s ARG 411 Ca 0.29 -2.19 -0.27 0.00 -0.13 0.00 0.00 55.73 53.42 1bwm s ARG 411 Cb -0.07 -3.71 -0.07 0.00 -1.56 0.00 0.00 34.95 29.54 1bwm s ARG 411 CO 0.17 -1.14 0.85 -0.51 -0.81 0.00 0.00 175.30 173.86 1bwm s LEU 412 N 0.52 4.56 -0.02 -0.88 2.01 0.15 -3.49 118.68 121.53 1bwm s LEU 412 Ca 0.13 1.70 0.02 0.00 0.01 0.00 0.00 54.13 55.99 1bwm s LEU 412 Cb -0.21 -3.41 0.00 0.00 0.01 0.00 0.00 46.19 42.58 1bwm s LEU 412 CO -0.04 0.10 -0.08 0.00 1.01 0.00 0.00 176.35 177.35 1bwm s ALA 413 N -0.68 0.73 -0.09 4.21 0.00 -1.08 -0.13 121.76 124.73 1bwm s ALA 413 Ca 0.40 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 1bwm s ALA 413 Cb -0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1bwm s ALA 413 CO 0.28 0.13 0.26 0.08 0.00 0.00 0.00 175.76 176.51 1bwm s VAL 414 N 0.09 5.30 0.10 0.00 1.01 -1.26 -1.19 120.40 124.45 1bwm s VAL 414 Ca -0.01 0.50 -0.31 0.00 0.00 0.00 0.00 61.98 62.16 1bwm s VAL 414 Cb -0.06 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1bwm s VAL 414 CO 0.00 0.56 1.60 0.28 0.00 0.00 0.00 175.10 177.54 1bwm h SER 415 N 5.22 -1.12 -4.02 3.32 0.02 -1.95 -3.42 113.55 111.60 1bwm h SER 415 Ca -0.51 0.11 -0.55 0.00 -0.84 0.00 0.00 61.79 60.01 1bwm h SER 415 Cb 1.21 0.40 0.18 0.00 0.14 0.00 0.00 62.40 64.34 1bwm h SER 415 CO 0.63 -0.50 0.25 -0.81 -1.14 0.00 0.00 176.83 175.26 1bwm n PRO 416 N -5.47 0.39 0.00 3.45 -0.04 -1.26 -5.15 135.00 126.92 1bwm n PRO 416 Ca -0.08 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1bwm n PRO 416 Cb 0.38 -2.36 0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1bwm n PRO 416 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44