#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwm n VAL 4 N 0.00 0.20 -4.30 0.00 3.14 -1.22 -4.06 118.33 112.09 1bwm n VAL 4 Ca 0.00 -0.43 -0.20 0.00 -2.96 0.00 0.00 64.34 60.76 1bwm n VAL 4 Cb 0.00 -2.18 -0.08 0.00 -1.06 0.00 0.00 33.84 30.52 1bwm n VAL 4 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1bwm s THR 5 N 8.68 0.04 0.17 1.55 -4.23 -1.09 -4.25 115.64 116.52 1bwm s THR 5 Ca 1.05 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1bwm s THR 5 Cb -0.54 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1bwm s THR 5 CO 0.39 0.00 0.29 -1.58 -0.54 0.00 0.00 174.62 173.18 1bwm s GLN 6 N -3.50 1.18 -0.59 3.99 -0.44 -1.22 -2.71 119.66 116.36 1bwm s GLN 6 Ca 0.39 -1.19 -0.35 0.00 -2.50 0.00 0.00 55.36 51.71 1bwm s GLN 6 Cb 0.03 0.38 -0.16 0.00 -1.64 0.00 0.00 33.01 31.61 1bwm s GLN 6 CO 0.26 -0.43 2.35 0.45 0.50 0.00 0.00 175.29 178.41 1bwm n SER 7 N -0.23 1.23 0.26 6.67 2.88 0.20 -4.76 113.62 119.88 1bwm n SER 7 Ca -0.07 0.31 0.11 0.00 -1.33 0.00 0.00 58.87 57.90 1bwm n SER 7 Cb 0.63 -1.10 0.70 0.00 -0.75 0.00 0.00 64.21 63.69 1bwm n SER 7 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bwm h PRO 8 N 12.16 0.00 -7.04 -1.46 0.14 -1.85 -3.42 132.00 130.53 1bwm h PRO 8 Ca -0.16 0.00 -0.47 0.00 0.14 0.00 0.00 66.00 65.51 1bwm h PRO 8 Cb 1.34 0.00 0.22 0.00 0.14 0.00 0.00 31.00 32.70 1bwm h PRO 8 CO 1.16 0.11 -0.20 0.54 0.14 0.00 0.00 178.00 179.75 1bwm n ARG 9 N -3.91 -1.56 -3.66 0.86 1.74 -1.26 -5.03 116.66 103.83 1bwm n ARG 9 Ca -0.02 -0.42 -0.16 0.00 -0.77 0.00 0.00 57.85 56.48 1bwm n ARG 9 Cb 0.20 -2.10 -0.15 0.00 -1.02 0.00 0.00 32.46 29.39 1bwm n ARG 9 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1bwm s ASN 10 N -2.32 0.66 0.19 0.55 3.84 -1.26 -4.90 114.94 111.70 1bwm s ASN 10 Ca 0.65 0.39 -0.22 0.00 0.21 0.00 0.00 52.86 53.89 1bwm s ASN 10 Cb -0.22 0.41 0.05 0.00 -0.55 0.00 0.00 41.25 40.94 1bwm s ASN 10 CO 0.64 -0.25 0.62 -0.75 -2.79 0.00 0.00 177.10 174.57 1bwm s LYS 11 N 2.33 1.42 0.34 0.43 2.20 -1.26 -5.15 119.74 120.06 1bwm s LYS 11 Ca 0.03 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 1bwm s LYS 11 Cb -0.12 0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1bwm s LYS 11 CO -0.07 -0.63 0.13 0.08 -0.36 0.00 0.00 175.35 174.50 1bwm s VAL 12 N -3.81 2.96 0.29 4.02 1.01 -1.26 -4.53 120.40 119.08 1bwm s VAL 12 Ca 0.04 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.34 1bwm s VAL 12 Cb -0.02 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 1bwm s VAL 12 CO -0.07 -0.18 0.02 0.00 0.00 0.00 0.00 175.10 174.88 1bwm s ALA 13 N -2.44 2.21 0.23 5.51 0.00 -1.08 -4.94 121.76 121.24 1bwm s ALA 13 Ca 0.37 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1bwm s ALA 13 Cb -0.02 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1bwm s ALA 13 CO 0.22 -0.26 0.04 1.33 0.00 0.00 0.00 175.76 177.10 1bwm n VAL 14 N -0.60 0.00 -1.39 0.00 0.24 -1.26 -2.99 118.33 112.32 1bwm n VAL 14 Ca -0.03 -1.03 -0.58 0.00 -2.04 0.00 0.00 64.34 60.65 1bwm n VAL 14 Cb 0.65 0.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.02 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 -0.67 0.07 -3.68 3.34 -1.04 -1.26 0.80 114.28 111.84 1bwm n THR 15 Ca -0.07 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.63 1bwm n THR 15 Cb 0.28 -0.85 0.05 0.00 -1.82 0.00 0.00 70.33 68.00 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 6.60 -0.42 0.00 3.41 0.00 -1.06 -4.92 105.19 108.80 1bwm n GLY 16 Ca 0.47 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.62 1.81 0.00 -0.02 0.00 0.24 -4.67 105.19 100.92 1bwm n GLY 17 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.81 1.61 5.02 -1.26 -4.81 118.16 114.91 1bwm n LYS 18 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1bwm n LYS 18 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bwm s VAL 19 N -1.79 0.93 -0.29 -0.18 1.01 -0.97 -4.68 120.40 114.43 1bwm s VAL 19 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1bwm s VAL 19 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1bwm s VAL 19 CO 0.00 -0.19 0.17 -0.89 0.00 0.00 0.00 175.10 174.18 1bwm s THR 20 N 1.67 4.94 0.02 3.92 2.01 -1.26 -2.37 115.64 124.57 1bwm s THR 20 Ca -0.02 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.91 1bwm s THR 20 Cb -0.18 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1bwm s THR 20 CO -0.08 0.18 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.18 1bwm s LEU 21 N 1.69 2.12 -0.09 4.42 1.43 -0.99 -4.87 118.68 122.39 1bwm s LEU 21 Ca 0.06 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1bwm s LEU 21 Cb -0.16 -0.40 0.05 0.00 0.03 0.00 0.00 46.19 45.71 1bwm s LEU 21 CO 0.08 0.01 0.13 -0.94 0.23 0.00 0.00 176.35 175.86 1bwm s SER 22 N -0.79 1.03 0.10 2.29 1.04 -1.26 -2.62 113.70 113.49 1bwm s SER 22 Ca -0.01 0.15 0.09 0.00 0.48 0.00 0.00 55.95 56.67 1bwm s SER 22 Cb -0.06 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1bwm s SER 22 CO 0.00 -0.26 -0.23 0.00 0.98 0.00 0.00 173.24 173.73 1bwm s ASN 24 N -1.82 3.76 -0.13 0.00 0.02 -1.10 -2.22 114.94 113.44 1bwm s ASN 24 Ca 0.10 -0.85 -0.02 0.00 -1.02 0.00 0.00 52.86 51.06 1bwm s ASN 24 Cb -0.10 -0.42 0.04 0.00 0.02 0.00 0.00 41.25 40.80 1bwm s ASN 24 CO 0.04 0.07 0.00 -1.58 0.02 0.00 0.00 177.10 175.66 1bwm s GLN 25 N -3.13 0.81 -0.31 -0.60 -0.44 0.25 -2.66 119.66 113.58 1bwm s GLN 25 Ca 0.26 -0.20 0.02 0.00 -2.50 0.00 0.00 55.36 52.94 1bwm s GLN 25 Cb -0.07 -1.58 0.12 0.00 -1.64 0.00 0.00 33.01 29.85 1bwm s GLN 25 CO 0.14 -0.44 1.15 -2.37 0.50 0.00 0.00 175.29 174.26 1bwm n THR 26 N 5.06 0.00 -1.66 -0.34 5.66 -1.26 -4.17 114.28 117.57 1bwm n THR 26 Ca -0.09 -0.60 0.06 0.00 -3.05 0.00 0.00 64.05 60.36 1bwm n THR 26 Cb 0.49 0.70 0.20 0.00 -1.55 0.00 0.00 70.33 70.16 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 -0.23 1.70 -2.04 1.09 5.15 -1.26 -4.30 115.26 115.37 1bwm n ASN 27 Ca -0.23 -3.78 -0.11 0.00 -0.60 0.00 0.00 54.58 49.86 1bwm n ASN 27 Cb 0.67 -0.51 0.04 0.00 -0.53 0.00 0.00 39.78 39.45 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 -1.01 -3.72 -4.23 1.20 4.05 -1.26 -5.02 115.26 105.27 1bwm n ASN 28 Ca 0.18 -0.27 -0.33 0.00 0.45 0.00 0.00 54.58 54.61 1bwm n ASN 28 Cb 0.72 -2.71 -0.15 0.00 1.23 0.00 0.00 39.78 38.87 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1bwm s HIS 29 N -3.16 2.77 -2.14 1.20 3.76 -1.26 -4.72 115.29 111.75 1bwm s HIS 29 Ca 0.23 -1.17 0.19 0.00 -0.15 0.00 0.00 55.06 54.16 1bwm s HIS 29 Cb -0.10 -1.90 0.92 0.00 1.11 0.00 0.00 32.58 32.61 1bwm s HIS 29 CO 0.35 -0.55 1.62 0.09 -0.85 0.00 0.00 174.74 175.41 1bwm n ASN 30 N 4.19 0.82 -3.69 1.40 3.02 -1.24 -4.79 115.26 114.98 1bwm n ASN 30 Ca -0.19 -1.57 -0.11 0.00 -0.03 0.00 0.00 54.58 52.68 1bwm n ASN 30 Cb 0.51 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.53 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1bwm s ASN 31 N -1.57 -0.59 -0.27 6.41 0.01 -1.15 -4.68 114.94 113.11 1bwm s ASN 31 Ca 0.30 1.02 0.02 0.00 -0.71 0.00 0.00 52.86 53.48 1bwm s ASN 31 Cb 0.15 0.93 0.06 0.00 0.41 0.00 0.00 41.25 42.79 1bwm s ASN 31 CO 0.24 -0.19 -0.09 -0.32 -1.51 0.00 0.00 177.10 175.22 1bwm s MET 32 N 1.16 2.31 0.23 -0.60 1.75 0.31 -2.30 119.30 122.16 1bwm s MET 32 Ca -0.07 -1.31 -0.01 0.00 -1.25 0.00 0.00 55.69 53.04 1bwm s MET 32 Cb -0.07 -2.94 -0.04 0.00 2.84 0.00 0.00 34.83 34.62 1bwm s MET 32 CO -0.11 -0.57 0.43 0.71 -0.65 0.00 0.00 175.02 174.84 1bwm s TYR 33 N 1.14 3.48 -0.12 4.11 2.02 -0.48 -1.23 117.35 126.27 1bwm s TYR 33 Ca -0.08 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1bwm s TYR 33 Cb -0.20 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1bwm s TYR 33 CO -0.04 0.32 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.56 1bwm s TRP 34 N -1.96 1.83 0.41 2.71 0.52 -0.95 -1.82 118.94 119.66 1bwm s TRP 34 Ca 0.39 -0.94 0.04 0.00 0.02 0.00 0.00 56.10 55.60 1bwm s TRP 34 Cb -0.11 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1bwm s TRP 34 CO 0.30 -0.55 0.06 0.71 0.02 0.00 0.00 176.95 177.48 1bwm s TYR 35 N 1.44 2.00 -0.12 -1.98 2.02 -1.09 -2.78 117.35 116.84 1bwm s TYR 35 Ca 0.02 -0.99 -0.07 0.00 -0.37 0.00 0.00 57.07 55.66 1bwm s TYR 35 Cb -0.13 -1.42 0.05 0.00 -0.40 0.00 0.00 41.96 40.05 1bwm s TYR 35 CO -0.07 0.06 0.29 1.03 -1.57 0.00 0.00 175.55 175.29 1bwm s ARG 36 N -3.81 0.28 -0.38 -0.62 0.52 -0.55 -2.28 118.95 112.11 1bwm s ARG 36 Ca 0.26 0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 55.76 1bwm s ARG 36 Cb 0.06 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 1bwm s ARG 36 CO 0.13 -0.14 2.03 -1.14 0.02 0.00 0.00 175.30 176.20 1bwm s GLN 37 N 1.08 2.94 -0.16 3.54 0.74 -1.08 -1.73 119.66 125.00 1bwm s GLN 37 Ca -0.08 1.45 -0.04 0.00 0.05 0.00 0.00 55.36 56.74 1bwm s GLN 37 Cb -0.08 -4.34 0.07 0.00 1.10 0.00 0.00 33.01 29.75 1bwm s GLN 37 CO -0.08 -2.32 0.13 0.34 -0.55 0.00 0.00 175.29 172.81 1bwm s ASP 38 N 8.10 1.76 0.43 6.67 -1.08 -0.50 -4.10 116.67 127.95 1bwm s ASP 38 Ca 0.86 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1bwm s ASP 38 Cb -0.23 0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.24 1bwm s ASP 38 CO 0.30 -0.32 0.00 0.35 0.52 0.00 0.00 175.17 176.02 1bwm n THR 39 N 5.30 0.00 0.00 1.71 -2.24 -1.26 -0.25 114.28 117.53 1bwm n THR 39 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1bwm n THR 39 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1bwm n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwm n GLY 40 N 0.00 1.25 0.00 3.38 0.00 -1.26 -3.05 105.19 105.52 1bwm n GLY 40 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1bwm n GLY 40 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bwm n HIS 41 N 0.00 0.00 0.00 1.61 1.44 -1.24 -4.86 115.22 112.17 1bwm n HIS 41 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1bwm n HIS 41 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1bwm n HIS 41 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bwm n GLY 42 N 0.36 1.72 3.75 -1.39 0.00 0.65 -2.53 105.19 107.75 1bwm n GLY 42 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1bwm n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwm s LEU 43 N 0.00 4.38 -0.39 0.99 1.43 -1.26 -1.41 118.68 122.41 1bwm s LEU 43 Ca 0.00 2.73 0.03 0.00 -1.03 0.00 0.00 54.13 55.86 1bwm s LEU 43 Cb 0.00 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.70 1bwm s LEU 43 CO 0.00 -0.73 0.14 -0.60 0.23 0.00 0.00 176.35 175.39 1bwm s ARG 44 N -0.56 1.40 0.25 1.70 3.00 -0.70 -4.87 118.95 119.17 1bwm s ARG 44 Ca 0.59 -1.90 -0.30 0.00 -1.00 0.00 0.00 55.73 53.12 1bwm s ARG 44 Cb -0.43 -2.83 -0.09 0.00 0.00 0.00 0.00 34.95 31.60 1bwm s ARG 44 CO 0.45 -1.03 1.24 -1.17 0.00 0.00 0.00 175.30 174.80 1bwm s LEU 45 N 0.69 4.46 0.00 -0.88 2.96 -1.26 -1.48 118.68 123.16 1bwm s LEU 45 Ca 0.13 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1bwm s LEU 45 Cb -0.21 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1bwm s LEU 45 CO -0.08 -0.42 0.00 2.30 -1.32 0.00 0.00 176.35 176.83 1bwm n ILE 46 N 1.77 0.00 -4.39 6.68 -0.00 -1.12 -0.01 119.36 122.30 1bwm n ILE 46 Ca 0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 62.75 62.50 1bwm n ILE 46 Cb 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 39.95 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 2.24 -0.07 4.28 3.76 -1.25 -1.49 115.29 121.76 1bwm s HIS 47 Ca 0.00 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.50 1bwm s HIS 47 Cb 0.00 -1.17 0.04 0.00 1.11 0.00 0.00 32.58 32.56 1bwm s HIS 47 CO 0.00 0.38 0.08 -0.47 -0.85 0.00 0.00 174.74 173.88 1bwm s TYR 48 N -1.31 0.05 -0.04 1.40 5.04 -1.26 -2.25 117.35 118.98 1bwm s TYR 48 Ca 0.16 0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.97 1bwm s TYR 48 Cb -0.09 -0.49 0.03 0.00 0.35 0.00 0.00 41.96 41.75 1bwm s TYR 48 CO 0.07 -0.27 0.01 -1.12 -1.34 0.00 0.00 175.55 172.90 1bwm s SER 49 N 2.18 0.91 0.00 4.32 0.01 -0.37 -1.31 113.70 119.45 1bwm s SER 49 Ca 0.04 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1bwm s SER 49 Cb -0.13 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1bwm s SER 49 CO -0.05 -0.15 0.00 0.00 0.41 0.00 0.00 173.24 173.45 1bwm n TYR 50 N 4.65 0.00 -2.22 2.43 4.11 -1.26 0.11 117.16 124.97 1bwm n TYR 50 Ca -0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.50 1bwm n TYR 50 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.86 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1bwm n GLY 51 N 1.35 5.92 1.36 -7.48 0.00 -1.26 -4.49 105.19 100.58 1bwm n GLY 51 Ca 0.00 -2.58 0.16 0.00 0.00 0.00 0.00 46.02 43.59 1bwm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm n ALA 52 N -0.62 -3.56 -3.30 4.61 0.00 -1.26 -4.75 120.51 111.64 1bwm n ALA 52 Ca 0.40 0.80 -0.24 0.00 0.00 0.00 0.00 53.44 54.40 1bwm n ALA 52 Cb 0.86 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.87 1bwm n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwm n GLY 53 N -4.19 -0.50 3.32 0.00 0.00 -0.98 -4.94 105.19 97.89 1bwm n GLY 53 Ca -0.07 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1bwm n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 54 N -2.79 -0.41 -0.33 1.61 0.01 -1.26 -5.01 113.70 105.52 1bwm s SER 54 Ca 0.40 1.06 0.03 0.00 1.31 0.00 0.00 55.95 58.75 1bwm s SER 54 Cb -0.20 1.52 0.17 0.00 0.21 0.00 0.00 66.02 67.73 1bwm s SER 54 CO 0.49 -0.23 1.18 1.07 0.41 0.00 0.00 173.24 176.15 1bwm n THR 55 N 5.40 0.00 -2.71 1.44 5.66 -0.42 -3.23 114.28 120.42 1bwm n THR 55 Ca -0.09 -0.75 -0.07 0.00 -3.05 0.00 0.00 64.05 60.10 1bwm n THR 55 Cb 0.49 0.78 0.08 0.00 -1.55 0.00 0.00 70.33 70.14 1bwm n THR 55 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1bwm n GLU 56 N -0.21 0.58 -1.87 1.09 -0.00 -1.25 -4.39 120.64 114.58 1bwm n GLU 56 Ca -0.18 -1.35 -0.03 0.00 -0.00 0.00 0.00 57.16 55.59 1bwm n GLU 56 Cb 0.70 -0.80 0.03 0.00 -0.00 0.00 0.00 31.44 31.37 1bwm n GLU 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1bwm n LYS 57 N 0.98 0.69 0.00 3.44 4.76 -1.23 -4.89 118.16 121.91 1bwm n LYS 57 Ca 0.03 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.99 1bwm n LYS 57 Cb 0.69 0.18 0.00 0.00 -1.84 0.00 0.00 35.03 34.06 1bwm n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bwm n GLY 58 N -0.57 -0.82 0.08 0.72 0.00 -0.55 -4.80 105.19 99.24 1bwm n GLY 58 Ca -0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 1.82 -3.19 1.61 -0.08 0.99 -4.80 116.55 112.89 1bwm n ASP 59 Ca 0.00 0.43 -0.22 0.00 -1.51 0.00 0.00 54.79 53.49 1bwm n ASP 59 Cb 0.00 -0.78 -0.05 0.00 2.34 0.00 0.00 41.12 42.63 1bwm n ASP 59 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1bwm n ILE 60 N -4.44 -0.07 -1.75 5.18 -5.35 -1.26 -5.07 119.36 106.60 1bwm n ILE 60 Ca -0.11 -4.42 -0.42 0.00 -0.27 0.00 0.00 62.75 57.53 1bwm n ILE 60 Cb 0.41 -1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 37.06 1bwm n ILE 60 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1bwm s PRO 61 N -1.92 4.15 -0.29 6.28 0.04 -1.26 -4.96 135.00 137.03 1bwm s PRO 61 Ca 0.38 2.55 -0.16 0.00 0.04 0.00 0.00 61.00 63.82 1bwm s PRO 61 Cb 0.25 -3.65 0.15 0.00 0.04 0.00 0.00 34.50 31.29 1bwm s PRO 61 CO -0.09 -0.84 0.95 0.34 0.04 0.00 0.00 177.00 177.40 1bwm s ASP 62 N 2.83 -0.56 0.00 6.66 2.15 -1.26 -4.94 116.67 121.55 1bwm s ASP 62 Ca 0.80 0.87 0.00 0.00 0.43 0.00 0.00 52.55 54.65 1bwm s ASP 62 Cb -0.45 1.35 0.00 0.00 -0.30 0.00 0.00 42.92 43.52 1bwm s ASP 62 CO 0.36 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.84 1bwm n GLY 63 N 4.07 0.62 3.18 2.66 0.00 -1.26 -5.06 105.19 109.40 1bwm n GLY 63 Ca -0.16 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 1bwm n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bwm s TYR 65 N -2.00 1.14 -0.11 1.61 1.51 -1.26 -3.95 117.35 114.29 1bwm s TYR 65 Ca 0.00 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 1bwm s TYR 65 Cb 0.00 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1bwm s TYR 65 CO 0.00 0.04 -0.13 0.21 -1.11 0.00 0.00 175.55 174.55 1bwm s LYS 66 N -2.58 2.02 0.06 -0.62 2.47 0.32 -4.97 119.74 116.45 1bwm s LYS 66 Ca 0.05 -0.49 0.04 0.00 -1.56 0.00 0.00 55.97 54.01 1bwm s LYS 66 Cb -0.04 -1.78 -0.03 0.00 -1.46 0.00 0.00 37.83 34.52 1bwm s LYS 66 CO 0.01 -0.10 -0.11 0.00 0.16 0.00 0.00 175.35 175.32 1bwm s ALA 67 N 1.10 0.87 -0.04 3.13 0.00 -1.26 0.73 121.76 126.28 1bwm s ALA 67 Ca -0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1bwm s ALA 67 Cb -0.14 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1bwm s ALA 67 CO -0.03 0.05 0.13 -1.12 0.00 0.00 0.00 175.76 174.80 1bwm s SER 68 N -1.73 -0.10 -0.53 0.00 0.01 -0.31 -4.98 113.70 106.07 1bwm s SER 68 Ca -0.05 0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.43 1bwm s SER 68 Cb -0.09 0.26 0.24 0.00 0.21 0.00 0.00 66.02 66.64 1bwm s SER 68 CO 0.01 -0.12 0.61 -1.14 0.41 0.00 0.00 173.24 173.01 1bwm n ARG 69 N 2.65 1.59 -0.28 12.44 3.00 -1.26 -2.71 116.66 132.08 1bwm n ARG 69 Ca -0.15 -3.97 -0.02 0.00 -0.00 0.00 0.00 57.85 53.71 1bwm n ARG 69 Cb 0.58 -1.80 0.10 0.00 0.00 0.00 0.00 32.46 31.34 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 4.28 0.94 -6.23 -0.14 0.13 -1.98 -2.59 132.00 126.41 1bwm h PRO 70 Ca 0.15 -0.06 -0.61 0.00 -0.87 0.00 0.00 66.00 64.61 1bwm h PRO 70 Cb 0.77 -0.21 -0.26 0.00 0.13 0.00 0.00 31.00 31.43 1bwm h PRO 70 CO 0.65 0.62 -0.85 -1.12 -0.23 0.00 0.00 178.00 177.07 1bwm s SER 71 N -5.81 2.63 0.66 1.44 0.01 -1.24 -4.77 113.70 106.62 1bwm s SER 71 Ca -0.13 -0.54 0.44 0.00 1.31 0.00 0.00 55.95 57.03 1bwm s SER 71 Cb 0.16 -0.22 2.36 0.00 0.21 0.00 0.00 66.02 68.53 1bwm s SER 71 CO 0.78 0.18 2.35 -0.61 0.41 0.00 0.00 173.24 176.35 1bwm h GLN 72 N 4.85 0.00 0.00 12.44 4.15 -1.92 -2.18 115.11 132.45 1bwm h GLN 72 Ca -0.43 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 58.73 1bwm h GLN 72 Cb 1.16 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.80 1bwm h GLN 72 CO 0.44 0.00 -2.24 0.39 -1.93 0.00 0.00 178.83 175.48 1bwm n GLU 73 N -3.09 0.68 -4.19 1.69 1.02 -1.26 -4.58 120.64 110.91 1bwm n GLU 73 Ca -0.03 -0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.70 1bwm n GLU 73 Cb 0.09 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 29.89 1bwm n GLU 73 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1bwm s ASN 74 N -5.23 5.61 0.05 1.62 3.84 -0.82 0.84 114.94 120.85 1bwm s ASN 74 Ca -0.09 0.23 -0.15 0.00 0.21 0.00 0.00 52.86 53.05 1bwm s ASN 74 Cb 0.08 -1.71 0.03 0.00 -0.55 0.00 0.00 41.25 39.10 1bwm s ASN 74 CO 0.85 0.36 0.35 0.12 -2.79 0.00 0.00 177.10 175.99 1bwm s PHE 75 N -0.76 -0.16 -0.18 0.43 5.36 -0.94 -3.60 117.98 118.12 1bwm s PHE 75 Ca 0.12 0.05 -0.28 0.00 -0.96 0.00 0.00 56.93 55.86 1bwm s PHE 75 Cb -0.12 0.14 0.10 0.00 -0.34 0.00 0.00 43.02 42.81 1bwm s PHE 75 CO 0.03 -0.54 0.87 -1.12 -1.46 0.00 0.00 175.22 173.00 1bwm s SER 76 N -2.09 -0.53 0.03 6.13 0.01 -1.10 -2.62 113.70 113.52 1bwm s SER 76 Ca -0.05 0.78 -0.25 0.00 1.31 0.00 0.00 55.95 57.75 1bwm s SER 76 Cb -0.01 0.71 0.06 0.00 0.21 0.00 0.00 66.02 66.99 1bwm s SER 76 CO -0.03 -0.35 0.57 -1.48 0.41 0.00 0.00 173.24 172.35 1bwm s LEU 77 N -0.55 -0.27 0.35 2.44 0.05 -1.08 -1.16 118.68 118.47 1bwm s LEU 77 Ca -0.03 0.32 -0.01 0.00 0.05 0.00 0.00 54.13 54.46 1bwm s LEU 77 Cb -0.02 2.27 0.00 0.00 -2.05 0.00 0.00 46.19 46.39 1bwm s LEU 77 CO 0.02 -0.70 0.46 0.27 -0.55 0.00 0.00 176.35 175.85 1bwm s ILE 78 N -2.14 0.00 0.10 1.48 -0.00 0.22 -2.36 121.20 118.50 1bwm s ILE 78 Ca -0.07 -1.64 0.02 0.00 -0.00 0.00 0.00 60.65 58.96 1bwm s ILE 78 Cb -0.01 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.46 39.76 1bwm s ILE 78 CO 0.01 0.00 -0.07 -0.22 -0.00 0.00 0.00 174.94 174.66 1bwm s LEU 79 N -3.26 2.50 0.00 0.37 0.20 -1.00 0.12 118.68 117.61 1bwm s LEU 79 Ca 0.32 -0.99 0.05 0.00 0.69 0.00 0.00 54.13 54.20 1bwm s LEU 79 Cb -0.00 -0.09 0.08 0.00 -0.43 0.00 0.00 46.19 45.74 1bwm s LEU 79 CO 0.22 -0.45 1.02 -0.62 -0.29 0.00 0.00 176.35 176.23 1bwm n GLU 80 N 0.02 0.00 -2.71 1.98 1.02 -1.25 -2.29 120.64 117.40 1bwm n GLU 80 Ca -0.12 -1.15 -0.06 0.00 -0.02 0.00 0.00 57.16 55.80 1bwm n GLU 80 Cb 0.61 -0.39 0.06 0.00 -0.02 0.00 0.00 31.44 31.69 1bwm n GLU 80 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1bwm n LEU 81 N 0.09 -2.18 -4.91 -4.62 -0.00 -1.26 -4.75 117.00 99.37 1bwm n LEU 81 Ca 0.01 -2.53 -0.27 0.00 -0.00 0.00 0.00 56.01 53.22 1bwm n LEU 81 Cb 0.77 0.70 -0.02 0.00 -0.00 0.00 0.00 43.42 44.87 1bwm n LEU 81 CO -0.01 1.78 0.21 0.00 -0.00 0.00 0.00 177.39 179.38 1bwm s ALA 82 N 0.47 3.62 0.33 1.47 0.00 -1.26 -4.83 121.76 121.56 1bwm s ALA 82 Ca 0.29 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.69 1bwm s ALA 82 Cb 0.20 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1bwm s ALA 82 CO -0.16 0.13 0.13 0.95 0.00 0.00 0.00 175.76 176.80 1bwm s THR 83 N -2.20 3.08 0.00 0.00 -4.23 -1.26 -2.57 115.64 108.46 1bwm s THR 83 Ca 0.43 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1bwm s THR 83 Cb -0.10 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1bwm s THR 83 CO 0.33 -0.20 0.61 -0.81 -0.54 0.00 0.00 174.62 174.00 1bwm n PRO 84 N -1.12 0.38 -0.50 3.99 -0.05 -1.24 -2.53 135.00 133.93 1bwm n PRO 84 Ca -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.40 1bwm n PRO 84 Cb 0.61 -1.31 -0.01 0.00 -0.05 0.00 0.00 33.50 32.74 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 1.41 -0.21 0.00 3.54 2.88 -1.26 -4.88 113.62 115.10 1bwm n SER 85 Ca 0.00 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1bwm n SER 85 Cb 0.19 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1bwm n SER 85 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1bwm n GLN 86 N 0.00 1.43 -0.44 -1.46 7.27 -1.05 -5.08 117.38 118.05 1bwm n GLN 86 Ca -0.06 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.78 1bwm n GLN 86 Cb 0.32 -0.76 0.20 0.00 2.41 0.00 0.00 30.24 32.40 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1bwm n THR 87 N -1.52 0.00 -3.65 1.69 -1.04 -1.26 -5.00 114.28 103.50 1bwm n THR 87 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1bwm n THR 87 Cb 0.26 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1bwm n THR 87 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bwm n SER 88 N -2.90 0.00 -4.54 8.00 7.64 -0.96 -4.96 113.62 115.91 1bwm n SER 88 Ca 0.08 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.56 1bwm n SER 88 Cb 0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.54 1bwm n SER 88 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bwm s VAL 89 N -3.00 5.23 -0.11 0.44 1.01 -1.26 -2.45 120.40 120.26 1bwm s VAL 89 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1bwm s VAL 89 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1bwm s VAL 89 CO 0.00 0.09 1.10 -0.31 0.00 0.00 0.00 175.10 175.98 1bwm s TYR 90 N 1.73 3.32 -0.20 5.22 2.02 0.19 -2.63 117.35 127.00 1bwm s TYR 90 Ca 0.06 1.40 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 1bwm s TYR 90 Cb -0.17 -3.30 0.04 0.00 -0.40 0.00 0.00 41.96 38.12 1bwm s TYR 90 CO 0.10 -0.75 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.13 1bwm s PHE 91 N 2.37 2.70 -0.88 2.71 0.08 -0.97 -0.91 117.98 123.09 1bwm s PHE 91 Ca 0.51 -1.73 -0.20 0.00 0.12 0.00 0.00 56.93 55.63 1bwm s PHE 91 Cb -0.20 -1.80 0.11 0.00 -0.57 0.00 0.00 43.02 40.57 1bwm s PHE 91 CO 0.17 -0.79 1.11 0.00 -0.10 0.00 0.00 175.22 175.61 1bwm s ALA 93 N 3.07 3.29 -0.24 0.00 0.00 -0.76 -3.82 121.76 123.30 1bwm s ALA 93 Ca 0.31 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1bwm s ALA 93 Cb -0.07 -2.81 0.13 0.00 0.00 0.00 0.00 23.12 20.36 1bwm s ALA 93 CO -0.06 0.28 0.46 0.45 0.00 0.00 0.00 175.76 176.89 1bwm s SER 94 N -2.34 -0.37 0.32 0.00 0.15 -1.26 -1.38 113.70 108.82 1bwm s SER 94 Ca 0.55 0.78 0.05 0.00 0.70 0.00 0.00 55.95 58.03 1bwm s SER 94 Cb -0.10 1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 65.71 1bwm s SER 94 CO 0.18 -0.26 0.17 0.61 1.20 0.00 0.00 173.24 175.14 1bwm n GLY 95 N 5.40 3.27 0.00 9.45 0.00 -0.97 -2.59 105.19 119.74 1bwm n GLY 95 Ca -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1bwm n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 96 N -0.39 1.99 3.95 -0.02 0.00 -1.26 -2.94 105.19 106.52 1bwm n GLY 96 Ca -0.00 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.34 3.43 0.00 1.61 -1.52 -1.26 -4.66 119.66 116.92 1bwm s GLN 97 Ca 0.00 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 1bwm s GLN 97 Cb 0.00 -2.93 0.00 0.00 -0.22 0.00 0.00 33.01 29.86 1bwm s GLN 97 CO 0.00 0.49 0.00 0.41 -0.25 0.00 0.00 175.29 175.94 1bwm n GLY 98 N -0.86 0.65 2.88 3.09 0.00 -1.26 -4.72 105.19 104.97 1bwm n GLY 98 Ca -0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1bwm n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bwm s ARG 99 N 0.00 0.65 0.10 1.61 1.81 -1.26 -5.14 118.95 116.72 1bwm s ARG 99 Ca 0.00 -0.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.43 1bwm s ARG 99 Cb 0.00 -0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 1bwm s ARG 99 CO 0.00 -1.17 -0.08 0.00 -0.68 0.00 0.00 175.30 173.37 1bwm s ALA 104 N 1.67 1.03 0.09 2.13 0.00 -1.26 -5.05 121.76 120.37 1bwm s ALA 104 Ca 0.16 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.60 1bwm s ALA 104 Cb -0.12 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 1bwm s ALA 104 CO -0.08 -0.16 0.73 -1.21 0.00 0.00 0.00 175.76 175.04 1bwm s GLU 105 N -3.39 4.47 -0.36 0.00 2.02 -1.26 -4.86 118.70 115.32 1bwm s GLU 105 Ca 0.09 1.03 -0.27 0.00 0.02 0.00 0.00 54.97 55.83 1bwm s GLU 105 Cb 0.02 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 1bwm s GLU 105 CO -0.03 0.45 2.15 -0.65 0.02 0.00 0.00 175.26 177.21 1bwm s GLN 106 N -0.64 2.83 -0.83 1.61 -0.21 -1.26 -4.69 119.66 116.47 1bwm s GLN 106 Ca 0.35 1.59 -0.23 0.00 0.02 0.00 0.00 55.36 57.09 1bwm s GLN 106 Cb -0.21 -4.40 -0.16 0.00 1.00 0.00 0.00 33.01 29.24 1bwm s GLN 106 CO 0.23 -2.45 1.90 1.19 -2.12 0.00 0.00 175.29 174.04 1bwm n PHE 107 N 12.71 1.92 -1.97 0.91 3.01 -1.07 -4.78 117.46 128.18 1bwm n PHE 107 Ca 0.29 -1.51 -0.42 0.00 1.01 0.00 0.00 57.45 56.83 1bwm n PHE 107 Cb 0.49 -1.93 -0.03 0.00 -0.01 0.00 0.00 39.48 38.00 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1bwm s PHE 108 N 7.55 2.87 0.31 1.38 0.08 -1.26 -4.00 117.98 124.91 1bwm s PHE 108 Ca 0.63 0.58 0.05 0.00 0.12 0.00 0.00 56.93 58.31 1bwm s PHE 108 Cb 0.09 -3.90 0.05 0.00 -0.57 0.00 0.00 43.02 38.69 1bwm s PHE 108 CO 0.15 -3.39 0.42 0.41 -0.10 0.00 0.00 175.22 172.71 1bwm n GLY 109 N 3.79 1.97 3.57 4.36 0.00 -1.25 -4.95 105.19 112.69 1bwm n GLY 109 Ca 0.14 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.38 1.51 1.13 1.61 0.01 -1.26 -4.74 135.00 129.87 1bwm s PRO 110 Ca 0.32 0.12 -0.19 0.00 0.01 0.00 0.00 61.00 61.26 1bwm s PRO 110 Cb -0.03 -4.87 0.28 0.00 0.01 0.00 0.00 34.50 29.89 1bwm s PRO 110 CO 0.20 -4.75 1.09 0.41 0.01 0.00 0.00 177.00 173.96 1bwm n GLY 111 N 6.59 -2.50 3.65 0.52 0.00 -1.26 -3.44 105.19 108.74 1bwm n GLY 111 Ca 0.45 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.08 3.49 -0.13 2.61 2.01 -0.09 -4.89 115.64 115.57 1bwm s THR 112 Ca 0.69 -1.82 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 1bwm s THR 112 Cb -0.06 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.66 1bwm s THR 112 CO 0.52 -0.32 0.07 0.00 -0.69 0.00 0.00 174.62 174.19 1bwm s ARG 113 N -3.52 0.13 -0.00 4.92 1.04 -1.26 0.53 118.95 120.78 1bwm s ARG 113 Ca 0.30 0.03 -0.08 0.00 -1.04 0.00 0.00 55.73 54.95 1bwm s ARG 113 Cb -0.07 -1.41 0.00 0.00 -2.04 0.00 0.00 34.95 31.44 1bwm s ARG 113 CO 0.19 -0.54 0.16 -0.48 -0.04 0.00 0.00 175.30 174.60 1bwm s LEU 114 N 2.10 1.47 0.02 -1.89 0.05 -1.03 -4.68 118.68 114.72 1bwm s LEU 114 Ca 0.03 -0.14 0.07 0.00 0.05 0.00 0.00 54.13 54.14 1bwm s LEU 114 Cb -0.15 0.73 -0.02 0.00 -2.05 0.00 0.00 46.19 44.70 1bwm s LEU 114 CO -0.07 -0.36 -0.22 -0.89 -0.55 0.00 0.00 176.35 174.26 1bwm s THR 115 N -1.28 1.76 -0.39 5.48 2.01 -1.26 -2.25 115.64 119.71 1bwm s THR 115 Ca -0.14 -1.12 -0.09 0.00 0.31 0.00 0.00 61.69 60.65 1bwm s THR 115 Cb -0.07 -1.50 0.06 0.00 0.01 0.00 0.00 72.50 70.99 1bwm s THR 115 CO 0.02 0.35 0.22 -0.69 -0.69 0.00 0.00 174.62 173.82 1bwm s VAL 116 N -0.68 4.27 0.54 3.82 1.01 -1.25 -2.64 120.40 125.46 1bwm s VAL 116 Ca 0.09 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1bwm s VAL 116 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1bwm s VAL 116 CO 0.01 -0.37 0.00 -0.11 0.00 0.00 0.00 175.10 174.63 1bwm n LEU 116 N 4.93 -1.98 0.00 3.92 -0.00 -1.16 -3.67 117.00 119.03 1bwm n LEU 116 Ca -0.11 2.91 0.00 0.00 -0.00 0.00 0.00 56.01 58.81 1bwm n LEU 116 Cb 0.44 -2.94 0.00 0.00 -0.00 0.00 0.00 43.42 40.92 1bwm n LEU 116 CO 0.37 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.33 1bwm n GLY 201 N -1.54 3.84 1.94 -3.96 0.00 -1.26 -4.65 105.19 99.56 1bwm n GLY 201 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1bwm n GLY 201 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 202 N 0.00 -1.62 -3.83 1.61 2.88 -1.26 -5.05 113.62 106.35 1bwm n SER 202 Ca 0.00 0.36 -0.25 0.00 -1.33 0.00 0.00 58.87 57.65 1bwm n SER 202 Cb 0.00 1.79 0.01 0.00 -0.75 0.00 0.00 64.21 65.26 1bwm n SER 202 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1bwm n ASP 203 N -2.85 -1.65 -0.11 -3.46 8.00 -1.26 -4.90 116.55 110.32 1bwm n ASP 203 Ca 0.00 -0.87 -0.23 0.00 0.71 0.00 0.00 54.79 54.40 1bwm n ASP 203 Cb 0.00 -3.69 -0.12 0.00 -0.02 0.00 0.00 41.12 37.29 1bwm n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1bwm n TYR 204 N -4.39 0.25 -2.30 1.24 4.02 -1.26 -4.64 117.16 110.09 1bwm n TYR 204 Ca -0.23 0.07 -0.15 0.00 -0.01 0.00 0.00 57.90 57.58 1bwm n TYR 204 Cb 0.65 -1.03 0.03 0.00 -0.02 0.00 0.00 39.34 38.97 1bwm n TYR 204 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1bwm n LYS 205 N -3.70 2.91 -2.11 -0.72 4.76 -1.26 -4.92 118.16 113.11 1bwm n LYS 205 Ca -0.46 -3.91 -0.41 0.00 -2.87 0.00 0.00 58.31 50.66 1bwm n LYS 205 Cb 0.94 -2.02 -0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1bwm n LYS 205 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1bwm n ASP 206 N -0.67 7.04 -0.06 4.39 9.92 -1.26 -4.41 116.55 131.50 1bwm n ASP 206 Ca 0.31 -3.13 -0.06 0.00 -0.53 0.00 0.00 54.79 51.38 1bwm n ASP 206 Cb 0.91 -1.40 -0.09 0.00 -0.64 0.00 0.00 41.12 39.90 1bwm n ASP 206 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1bwm n ASP 207 N 2.45 2.32 -2.44 -2.24 8.00 -1.26 -4.64 116.55 118.75 1bwm n ASP 207 Ca 0.54 -0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.74 1bwm n ASP 207 Cb 0.29 0.70 0.02 0.00 -0.02 0.00 0.00 41.12 42.10 1bwm n ASP 207 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1bwm n ASP 208 N -2.45 5.58 -3.82 -2.24 5.68 -1.26 -5.00 116.55 113.04 1bwm n ASP 208 Ca -0.19 -3.76 -0.12 0.00 -0.50 0.00 0.00 54.79 50.23 1bwm n ASP 208 Cb 0.85 -0.60 -0.09 0.00 -1.14 0.00 0.00 41.12 40.15 1bwm n ASP 208 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1bwm s ASP 209 N -2.93 -0.07 0.58 -1.12 1.01 -1.26 -5.15 116.67 107.74 1bwm s ASP 209 Ca 0.51 -0.10 -0.18 0.00 0.71 0.00 0.00 52.55 53.50 1bwm s ASP 209 Cb 0.42 0.26 -0.04 0.00 1.01 0.00 0.00 42.92 44.57 1bwm s ASP 209 CO -0.16 -0.42 1.11 -0.54 0.21 0.00 0.00 175.17 175.37 1bwm s LYS 210 N -1.47 3.20 -0.50 8.23 1.02 -1.26 -4.92 119.74 124.04 1bwm s LYS 210 Ca -0.13 1.50 -0.03 0.00 0.02 0.00 0.00 55.97 57.32 1bwm s LYS 210 Cb -0.06 -1.99 0.11 0.00 -0.52 0.00 0.00 37.83 35.36 1bwm s LYS 210 CO 0.02 -0.95 2.64 0.54 -0.92 0.00 0.00 175.35 176.68 1bwm n ARG 211 N -1.68 2.42 -3.28 1.68 5.12 -1.26 -4.69 116.66 114.97 1bwm n ARG 211 Ca 0.11 -2.47 -0.07 0.00 -1.93 0.00 0.00 57.85 53.49 1bwm n ARG 211 Cb 0.51 -2.14 -0.04 0.00 -1.16 0.00 0.00 32.46 29.64 1bwm n ARG 211 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1bwm s SER 212 N 0.14 -0.31 -1.04 0.55 0.15 -1.26 -5.07 113.70 106.85 1bwm s SER 212 Ca 0.57 -1.14 -0.23 0.00 0.70 0.00 0.00 55.95 55.85 1bwm s SER 212 Cb 0.39 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 1bwm s SER 212 CO -0.24 -0.21 1.73 -0.83 1.20 0.00 0.00 173.24 174.89 1bwm s GLY 213 N 1.66 0.79 -1.17 9.45 0.00 -1.26 -4.87 107.32 111.92 1bwm s GLY 213 Ca 0.16 -2.08 -0.18 0.00 0.00 0.00 0.00 44.72 42.63 1bwm s GLY 213 CO -0.05 3.09 2.06 0.61 0.00 0.00 0.00 173.10 178.80 1bwm n GLY 214 N 6.53 3.37 2.50 0.20 0.00 -1.26 -4.53 105.19 112.00 1bwm n GLY 214 Ca 0.39 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1bwm n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 215 N 4.46 1.53 7.00 -0.02 0.00 -1.26 -5.12 105.19 111.79 1bwm n GLY 215 Ca 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.00 -0.02 3.89 -0.02 0.00 -1.26 -4.94 105.19 103.83 1bwm n GLY 216 Ca 0.14 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 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 1.35 -3.23 0.00 1.61 7.64 -1.26 -4.34 113.62 115.39 1bwm n SER 217 Ca 0.00 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1bwm n SER 217 Cb 0.00 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 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 -1.67 2.01 0.00 0.23 0.00 -1.26 -4.93 105.19 99.58 1bwm n GLY 218 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.77 7.00 -0.02 0.00 -1.26 -4.91 105.19 106.77 1bwm n GLY 219 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1bwm n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 220 N 0.00 2.15 4.70 -0.02 0.00 -1.26 -4.99 105.19 105.77 1bwm n GLY 220 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.87 3.80 -0.02 0.00 -1.26 -4.89 105.19 101.95 1bwm n GLY 221 Ca 0.00 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1bwm n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 222 N -4.00 5.56 -0.27 1.61 0.01 -1.26 -4.38 113.70 110.97 1bwm s SER 222 Ca 0.00 1.77 -0.01 0.00 1.31 0.00 0.00 55.95 59.02 1bwm s SER 222 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1bwm s SER 222 CO 0.00 -1.32 0.25 0.61 0.41 0.00 0.00 173.24 173.19 1bwm n GLY 223 N -1.27 -0.20 0.09 3.44 0.00 -1.26 -5.00 105.19 100.99 1bwm n GLY 223 Ca 0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1bwm n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bwm h GLY 224 N -0.07 0.10 -2.17 -0.02 0.00 -1.93 -3.48 103.07 95.49 1bwm h GLY 224 Ca -0.08 -0.25 -0.48 0.00 0.00 0.00 0.00 47.33 46.52 1bwm h GLY 224 CO 0.11 0.22 -0.65 -1.35 0.00 0.00 0.00 176.54 174.87 1bwm s SER 225 N -6.57 2.59 0.00 0.19 1.04 -1.26 -5.13 113.70 104.56 1bwm s SER 225 Ca -0.20 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1bwm s SER 225 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1bwm s SER 225 CO 0.71 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1bwm n GLY 226 N -0.61 -1.80 1.37 7.32 0.00 -1.26 -5.24 105.19 104.97 1bwm n GLY 226 Ca -0.04 -1.25 0.17 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.66 -3.63 4.61 0.00 -1.26 -5.25 120.51 111.32 1bwm n ALA 227 Ca 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 53.44 53.96 1bwm n ALA 227 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 1bwm n ALA 227 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1bwm s GLN 301 N -3.19 0.75 0.05 0.00 2.00 -1.26 -5.26 119.66 112.75 1bwm s GLN 301 Ca 0.00 1.02 -0.02 0.00 -2.00 0.00 0.00 55.36 54.36 1bwm s GLN 301 Cb 0.00 0.30 -0.01 0.00 0.80 0.00 0.00 33.01 34.10 1bwm s GLN 301 CO 0.00 -0.11 -0.04 1.04 -0.50 0.00 0.00 175.29 175.68 1bwm n GLN 302 N 3.18 0.06 -1.80 1.67 1.13 -1.26 -4.78 117.38 115.59 1bwm n GLN 302 Ca -0.16 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.50 1bwm n GLN 302 Cb 0.56 -0.53 -0.03 0.00 0.11 0.00 0.00 30.24 30.36 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 -1.93 3.24 -0.43 5.09 1.01 -1.26 -3.14 120.40 122.99 1bwm s VAL 303 Ca -0.03 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1bwm s VAL 303 Cb 0.00 -3.22 0.12 0.00 0.00 0.00 0.00 36.38 33.29 1bwm s VAL 303 CO 0.05 -0.07 0.17 -0.60 0.00 0.00 0.00 175.10 174.65 1bwm s ARG 304 N 4.80 1.66 0.04 2.72 3.52 -1.08 -4.09 118.95 126.53 1bwm s ARG 304 Ca 0.85 -2.21 -0.18 0.00 -0.13 0.00 0.00 55.73 54.07 1bwm s ARG 304 Cb -0.36 -3.13 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 1bwm s ARG 304 CO 0.36 -1.04 0.51 -1.14 -0.81 0.00 0.00 175.30 173.18 1bwm s GLN 305 N 0.32 4.11 -0.68 5.12 2.00 -1.26 -1.28 119.66 127.99 1bwm s GLN 305 Ca 0.14 0.62 -0.35 0.00 -2.00 0.00 0.00 55.36 53.77 1bwm s GLN 305 Cb -0.23 -3.24 -0.18 0.00 0.80 0.00 0.00 33.01 30.17 1bwm s GLN 305 CO -0.04 0.64 2.41 0.43 -0.50 0.00 0.00 175.29 178.22 1bwm n SER 306 N 1.83 0.97 -3.33 6.67 7.64 -0.77 -4.89 113.62 121.74 1bwm n SER 306 Ca -0.11 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1bwm n SER 306 Cb 0.51 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 8.19 -0.37 -2.95 1.43 -0.05 -1.26 -4.71 135.00 135.27 1bwm n PRO 307 Ca 0.55 0.00 -0.06 0.00 -0.05 0.00 0.00 63.50 63.94 1bwm n PRO 307 Cb 0.10 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 33.55 1bwm n PRO 307 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 1bwm n GLN 308 N -0.94 -2.30 -0.70 0.54 7.27 -1.26 -4.95 117.38 115.04 1bwm n GLN 308 Ca 0.00 2.00 -0.30 0.00 0.07 0.00 0.00 57.00 58.78 1bwm n GLN 308 Cb 0.00 -3.95 0.25 0.00 2.41 0.00 0.00 30.24 28.95 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1bwm s SER 309 N -1.64 0.35 0.03 1.69 1.04 -1.26 -5.03 113.70 108.88 1bwm s SER 309 Ca 0.09 0.97 -0.25 0.00 0.48 0.00 0.00 55.95 57.24 1bwm s SER 309 Cb -0.02 -1.44 0.06 0.00 0.10 0.00 0.00 66.02 64.72 1bwm s SER 309 CO 0.59 -4.51 0.59 -1.48 0.98 0.00 0.00 173.24 169.41 1bwm s LEU 310 N -7.30 -0.35 -0.12 2.42 0.05 -1.26 -5.05 118.68 107.06 1bwm s LEU 310 Ca 0.69 0.34 0.02 0.00 0.05 0.00 0.00 54.13 55.23 1bwm s LEU 310 Cb -0.16 2.34 -0.00 0.00 -2.05 0.00 0.00 46.19 46.32 1bwm s LEU 310 CO 0.59 -0.72 -0.19 0.28 -0.55 0.00 0.00 176.35 175.76 1bwm s THR 311 N -2.19 2.43 0.18 5.48 -1.32 -1.26 -2.66 115.64 116.30 1bwm s THR 311 Ca -0.06 -0.87 0.03 0.00 -1.21 0.00 0.00 61.69 59.58 1bwm s THR 311 Cb -0.01 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 1bwm s THR 311 CO 0.01 0.54 0.30 0.54 -2.21 0.00 0.00 174.62 173.79 1bwm s VAL 312 N 0.51 5.25 0.23 5.08 0.11 -0.86 -4.68 120.40 126.04 1bwm s VAL 312 Ca -0.12 -0.80 -0.31 0.00 -2.93 0.00 0.00 61.98 57.81 1bwm s VAL 312 Cb -0.17 -3.75 -0.11 0.00 -1.53 0.00 0.00 36.38 30.82 1bwm s VAL 312 CO 0.05 -0.16 1.65 0.26 -3.33 0.00 0.00 175.10 173.56 1bwm s TRP 313 N -1.81 2.88 0.11 1.54 0.52 -1.26 -2.33 118.94 118.58 1bwm s TRP 313 Ca 0.34 0.56 0.00 0.00 0.02 0.00 0.00 56.10 57.02 1bwm s TRP 313 Cb -0.10 -4.08 0.00 0.00 -1.15 0.00 0.00 33.47 28.14 1bwm s TRP 313 CO 0.28 -3.89 0.00 -1.91 0.02 0.00 0.00 176.95 171.45 1bwm n GLU 314 N 3.30 -0.93 -1.39 4.98 4.07 -1.26 -3.32 120.64 126.08 1bwm n GLU 314 Ca 0.13 0.61 -0.26 0.00 -0.06 0.00 0.00 57.16 57.58 1bwm n GLU 314 Cb 0.37 -1.14 -0.08 0.00 -0.06 0.00 0.00 31.44 30.53 1bwm n GLU 314 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bwm n GLY 315 N -1.43 4.06 0.00 8.31 0.00 -1.26 -4.67 105.19 110.20 1bwm n GLY 315 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1bwm n GLY 315 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bwm n GLU 316 N 1.99 -0.86 -2.39 1.61 1.02 -1.21 -0.18 120.64 120.62 1bwm n GLU 316 Ca 0.54 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.43 1bwm n GLU 316 Cb 0.56 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.09 1bwm n GLU 316 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bwm s THR 317 N -0.89 2.20 0.26 2.62 -1.32 -1.26 -3.99 115.64 113.26 1bwm s THR 317 Ca 0.00 -0.42 -0.21 0.00 -1.21 0.00 0.00 61.69 59.84 1bwm s THR 317 Cb 0.00 -2.78 0.03 0.00 -1.51 0.00 0.00 72.50 68.24 1bwm s THR 317 CO 0.00 0.00 0.77 -0.89 -2.21 0.00 0.00 174.62 172.29 1bwm s THR 318 N -3.26 0.00 0.01 5.08 2.01 -0.45 -4.98 115.64 114.05 1bwm s THR 318 Ca 0.65 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1bwm s THR 318 Cb -0.07 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1bwm s THR 318 CO 0.45 0.00 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.56 1bwm s ILE 319 N -3.72 1.56 0.22 1.82 1.01 -1.26 -1.75 121.20 119.08 1bwm s ILE 319 Ca 0.12 -0.96 0.11 0.00 0.00 0.00 0.00 60.65 59.92 1bwm s ILE 319 Cb -0.05 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 1bwm s ILE 319 CO 0.06 0.34 -0.23 -0.76 0.00 0.00 0.00 174.94 174.36 1bwm s LEU 320 N -0.72 2.48 -0.01 2.97 1.02 -1.07 -4.98 118.68 118.37 1bwm s LEU 320 Ca 0.07 -0.92 0.02 0.00 0.02 0.00 0.00 54.13 53.32 1bwm s LEU 320 Cb -0.08 -1.13 0.00 0.00 0.02 0.00 0.00 46.19 45.00 1bwm s LEU 320 CO 0.00 0.09 -0.06 0.20 0.02 0.00 0.00 176.35 176.60 1bwm s ASN 321 N -2.93 0.78 0.07 2.29 0.01 -1.26 -2.64 114.94 111.27 1bwm s ASN 321 Ca 0.23 -0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.30 1bwm s ASN 321 Cb -0.07 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.38 1bwm s ASN 321 CO 0.11 0.04 -0.09 0.00 -1.51 0.00 0.00 177.10 175.66 1bwm s SER 323 N -2.15 2.62 -0.16 0.00 0.01 -0.40 -0.41 113.70 113.21 1bwm s SER 323 Ca -0.00 -1.70 -0.30 0.00 1.31 0.00 0.00 55.95 55.26 1bwm s SER 323 Cb -0.05 0.54 0.12 0.00 0.21 0.00 0.00 66.02 66.84 1bwm s SER 323 CO -0.01 -0.97 0.94 -0.72 0.41 0.00 0.00 173.24 172.90 1bwm s TYR 324 N -3.25 -0.44 -0.12 2.43 1.13 -1.19 -2.63 117.35 113.29 1bwm s TYR 324 Ca 0.26 0.80 0.15 0.00 -1.41 0.00 0.00 57.07 56.87 1bwm s TYR 324 Cb 0.02 0.43 0.36 0.00 -1.10 0.00 0.00 41.96 41.67 1bwm s TYR 324 CO 0.17 -0.37 1.17 0.39 -2.51 0.00 0.00 175.55 174.40 1bwm n GLU 325 N 0.97 0.96 -3.71 -3.49 1.02 -1.24 -4.94 120.64 110.22 1bwm n GLU 325 Ca -0.12 -2.61 -0.25 0.00 -0.02 0.00 0.00 57.16 54.16 1bwm n GLU 325 Cb 0.57 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 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 -2.63 6.34 -0.24 1.62 -1.08 -1.26 -5.02 116.67 114.41 1bwm s ASP 326 Ca 0.32 0.31 0.10 0.00 -0.52 0.00 0.00 52.55 52.76 1bwm s ASP 326 Cb 0.32 -1.97 0.45 0.00 -1.46 0.00 0.00 42.92 40.27 1bwm s ASP 326 CO -0.07 -0.10 1.30 -1.54 0.52 0.00 0.00 175.17 175.28 1bwm n SER 327 N -1.13 1.96 -0.88 -0.34 3.41 -1.26 -4.62 113.62 110.76 1bwm n SER 327 Ca -0.06 -3.87 -0.05 0.00 -0.26 0.00 0.00 58.87 54.63 1bwm n SER 327 Cb 0.55 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1bwm n THR 328 N -1.12 0.00 -2.79 6.66 5.66 -1.26 -5.13 114.28 116.30 1bwm n THR 328 Ca 0.24 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.89 1bwm n THR 328 Cb 0.81 0.39 -0.07 0.00 -1.55 0.00 0.00 70.33 69.91 1bwm n THR 328 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1bwm s PHE 329 N 0.00 3.45 -0.14 1.09 -0.12 -1.26 -4.31 117.98 116.69 1bwm s PHE 329 Ca 0.00 1.68 -0.12 0.00 -0.05 0.00 0.00 56.93 58.44 1bwm s PHE 329 Cb 0.00 -2.89 -0.06 0.00 -0.63 0.00 0.00 43.02 39.44 1bwm s PHE 329 CO 0.00 -0.02 -0.25 -3.47 -0.05 0.00 0.00 175.22 171.43 1bwm n ASP 330 N -0.16 1.58 -3.84 1.98 -0.08 -1.26 -4.79 116.55 109.98 1bwm n ASP 330 Ca 0.05 0.26 -0.10 0.00 -1.51 0.00 0.00 54.79 53.49 1bwm n ASP 330 Cb 0.52 -0.61 -0.05 0.00 2.34 0.00 0.00 41.12 43.33 1bwm n ASP 330 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1bwm s TYR 331 N -2.53 0.50 -0.32 -0.67 1.13 -1.26 -4.56 117.35 109.64 1bwm s TYR 331 Ca -0.23 -0.85 0.01 0.00 -1.41 0.00 0.00 57.07 54.58 1bwm s TYR 331 Cb 0.06 0.14 0.10 0.00 -1.10 0.00 0.00 41.96 41.15 1bwm s TYR 331 CO 0.32 -1.03 0.08 -0.06 -2.51 0.00 0.00 175.55 172.35 1bwm s PHE 332 N -3.79 2.27 -0.78 -3.49 0.40 -1.26 -2.76 117.98 108.57 1bwm s PHE 332 Ca 0.24 -2.07 -0.26 0.00 -0.60 0.00 0.00 56.93 54.24 1bwm s PHE 332 Cb -0.00 -2.04 -0.14 0.00 0.51 0.00 0.00 43.02 41.35 1bwm s PHE 332 CO 0.11 -0.89 2.42 -2.14 0.70 0.00 0.00 175.22 175.42 1bwm s PRO 333 N 1.42 1.58 -0.20 0.24 0.01 -1.25 -3.41 135.00 133.40 1bwm s PRO 333 Ca 0.10 0.52 -0.28 0.00 0.01 0.00 0.00 61.00 61.34 1bwm s PRO 333 Cb -0.18 -4.78 -0.05 0.00 0.01 0.00 0.00 34.50 29.50 1bwm s PRO 333 CO -0.20 -4.46 2.13 -1.58 0.01 0.00 0.00 177.00 172.89 1bwm s TRP 334 N 14.88 1.27 0.02 6.54 0.52 -0.57 -4.60 118.94 136.99 1bwm s TRP 334 Ca 0.93 0.42 -0.21 0.00 0.02 0.00 0.00 56.10 57.26 1bwm s TRP 334 Cb -0.13 -3.99 0.07 0.00 -1.15 0.00 0.00 33.47 28.27 1bwm s TRP 334 CO 0.08 -4.13 0.96 2.48 0.02 0.00 0.00 176.95 176.36 1bwm n TYR 335 N 10.96 -0.51 0.00 -1.98 4.11 -1.10 -2.75 117.16 125.89 1bwm n TYR 335 Ca 0.28 -0.65 0.00 0.00 -0.00 0.00 0.00 57.90 57.52 1bwm n TYR 335 Cb 0.45 0.30 0.00 0.00 -0.00 0.00 0.00 39.34 40.09 1bwm n TYR 335 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1bwm n ARG 336 N -0.69 0.00 -3.65 -3.48 3.00 -1.12 -1.05 116.66 109.68 1bwm n ARG 336 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.85 1bwm n ARG 336 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.85 1bwm n ARG 336 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1bwm s GLN 337 N 0.00 0.22 -0.25 -0.14 0.74 -1.11 -2.09 119.66 117.02 1bwm s GLN 337 Ca 0.00 0.33 -0.15 0.00 0.05 0.00 0.00 55.36 55.59 1bwm s GLN 337 Cb 0.00 0.07 -0.11 0.00 1.10 0.00 0.00 33.01 34.07 1bwm s GLN 337 CO 0.00 -0.04 -0.34 1.19 -0.55 0.00 0.00 175.29 175.56 1bwm n PHE 338 N 2.79 0.05 0.00 1.67 3.72 -1.26 -2.08 117.46 122.35 1bwm n PHE 338 Ca -0.15 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1bwm n PHE 338 Cb 0.57 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 1bwm n PHE 338 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1bwm n PRO 339 N -4.31 0.00 0.00 -1.08 -0.05 -1.26 -4.53 135.00 123.76 1bwm n PRO 339 Ca -0.43 0.22 0.00 0.00 -0.05 0.00 0.00 63.50 63.24 1bwm n PRO 339 Cb 0.78 -1.10 0.00 0.00 -0.05 0.00 0.00 33.50 33.13 1bwm n PRO 339 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1bwm n GLY 340 N -0.03 0.34 1.35 0.55 0.00 -1.26 -4.97 105.19 101.16 1bwm n GLY 340 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1bwm n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwm n LYS 341 N 0.00 1.20 -3.03 1.61 4.01 -1.26 -4.91 118.16 115.78 1bwm n LYS 341 Ca 0.00 -2.91 -0.14 0.00 -0.51 0.00 0.00 58.31 54.75 1bwm n LYS 341 Cb 0.00 -1.06 -0.03 0.00 -0.51 0.00 0.00 35.03 33.43 1bwm n LYS 341 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1bwm n SER 342 N -0.39 -2.11 -4.69 4.39 7.64 -1.26 -4.94 113.62 112.26 1bwm n SER 342 Ca 0.15 -2.71 -0.31 0.00 1.01 0.00 0.00 58.87 57.01 1bwm n SER 342 Cb 0.91 0.75 0.15 0.00 -1.01 0.00 0.00 64.21 65.01 1bwm n SER 342 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bwm s PRO 343 N 0.45 1.27 -0.04 1.43 0.05 -1.26 -4.32 135.00 132.59 1bwm s PRO 343 Ca 0.32 1.40 -0.29 0.00 0.05 0.00 0.00 61.00 62.48 1bwm s PRO 343 Cb 0.04 -1.77 0.10 0.00 0.05 0.00 0.00 34.50 32.91 1bwm s PRO 343 CO -0.12 -2.41 0.82 0.00 0.05 0.00 0.00 177.00 175.34 1bwm s ALA 344 N -2.72 -1.81 0.18 8.56 0.00 -0.89 -4.75 121.76 120.34 1bwm s ALA 344 Ca 0.65 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 53.62 1bwm s ALA 344 Cb -0.21 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 1bwm s ALA 344 CO 0.58 -0.50 0.65 -1.17 0.00 0.00 0.00 175.76 175.31 1bwm s LEU 345 N -1.78 4.36 -0.01 0.00 2.96 -1.26 -2.79 118.68 120.16 1bwm s LEU 345 Ca -0.02 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.15 1bwm s LEU 345 Cb -0.01 -3.41 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 1bwm s LEU 345 CO -0.02 0.08 -0.04 0.18 -1.32 0.00 0.00 176.35 175.23 1bwm n LEU 346 N 0.84 0.38 0.00 -0.68 4.77 -1.11 -4.99 117.00 116.21 1bwm n LEU 346 Ca -0.04 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1bwm n LEU 346 Cb 0.51 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1bwm n LEU 346 CO 0.43 -0.51 0.00 2.30 -1.33 0.00 0.00 177.39 178.28 1bwm n ILE 347 N -2.87 0.00 -3.66 -0.08 -0.00 -1.12 -5.02 119.36 106.61 1bwm n ILE 347 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.67 1bwm n ILE 347 Cb 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 39.63 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 -1.37 -1.62 0.52 -1.28 0.00 -1.26 -1.51 121.76 115.24 1bwm s ALA 348 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1bwm s ALA 348 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1bwm s ALA 348 CO 0.00 -0.63 0.00 0.44 0.00 0.00 0.00 175.76 175.57 1bwm n ILE 349 N 4.94 0.00 -0.21 0.00 -5.35 -1.22 -4.89 119.36 112.63 1bwm n ILE 349 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1bwm n ILE 349 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 -3.68 7.28 2.88 -1.26 -4.18 113.62 114.66 1bwm n SER 350 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1bwm n SER 350 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1bwm n SER 350 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1bwm n LEU 351 N 0.00 -3.14 0.00 2.46 7.94 -1.26 -4.85 117.00 118.15 1bwm n LEU 351 Ca 0.00 -0.92 0.00 0.00 -1.11 0.00 0.00 56.01 53.98 1bwm n LEU 351 Cb 0.00 -2.55 0.00 0.00 0.53 0.00 0.00 43.42 41.40 1bwm n LEU 351 CO 0.00 0.40 -0.26 0.55 -1.11 0.00 0.00 177.39 176.98 1bwm n VAL 352 N -4.14 0.00 0.82 1.96 3.14 -1.26 -4.77 118.33 114.08 1bwm n VAL 352 Ca -0.20 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.28 1bwm n VAL 352 Cb 0.64 -0.12 -0.01 0.00 -1.06 0.00 0.00 33.84 33.29 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1bwm n SER 353 N -1.01 1.77 0.00 6.55 2.88 -1.26 -4.95 113.62 117.59 1bwm n SER 353 Ca 0.00 -1.38 0.00 0.00 -1.33 0.00 0.00 58.87 56.16 1bwm n SER 353 Cb 0.13 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1bwm n SER 353 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bwm n ASN 354 N -0.11 0.00 -3.64 -3.46 2.85 -1.26 -4.87 115.26 104.77 1bwm n ASN 354 Ca 0.08 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.50 1bwm n ASN 354 Cb 0.39 -0.59 -0.06 0.00 1.24 0.00 0.00 39.78 40.76 1bwm n ASN 354 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1bwm s LYS 355 N 0.00 0.65 0.17 1.20 -2.85 -1.26 -2.40 119.74 115.25 1bwm s LYS 355 Ca 0.00 1.28 -0.02 0.00 -1.00 0.00 0.00 55.97 56.23 1bwm s LYS 355 Cb 0.00 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1bwm s LYS 355 CO 0.00 -0.16 0.11 0.21 0.10 0.00 0.00 175.35 175.61 1bwm s LYS 356 N 2.07 1.09 -0.16 1.78 2.20 -1.08 -4.93 119.74 120.70 1bwm s LYS 356 Ca -0.08 -1.52 -0.06 0.00 -0.36 0.00 0.00 55.97 53.95 1bwm s LYS 356 Cb -0.07 0.27 0.07 0.00 -1.51 0.00 0.00 37.83 36.59 1bwm s LYS 356 CO -0.19 -0.34 0.34 -1.83 -0.36 0.00 0.00 175.35 172.97 1bwm s GLU 357 N -4.10 0.25 -0.43 4.03 4.04 -1.26 -1.11 118.70 120.12 1bwm s GLU 357 Ca 0.31 0.87 0.02 0.00 0.04 0.00 0.00 54.97 56.20 1bwm s GLU 357 Cb 0.07 0.12 0.14 0.00 0.02 0.00 0.00 34.13 34.48 1bwm s GLU 357 CO 0.07 -0.25 0.23 -0.51 -1.84 0.00 0.00 175.26 172.96 1bwm s ASP 358 N 2.34 3.56 0.00 0.83 1.01 -1.06 -4.99 116.67 118.36 1bwm s ASP 358 Ca -0.02 -2.56 0.00 0.00 0.71 0.00 0.00 52.55 50.69 1bwm s ASP 358 Cb -0.12 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 42.87 1bwm s ASP 358 CO -0.11 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.61 1bwm n GLY 359 N 3.62 1.14 0.00 0.21 0.00 -1.26 -4.36 105.19 104.55 1bwm n GLY 359 Ca 0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.45 -4.47 1.61 5.12 -1.26 -5.07 116.66 113.05 1bwm n ARG 361 Ca 0.00 -0.56 -0.25 0.00 -1.93 0.00 0.00 57.85 55.12 1bwm n ARG 361 Cb 0.00 -0.65 -0.13 0.00 -1.16 0.00 0.00 32.46 30.51 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1bwm s PHE 362 N -0.19 1.79 0.33 -1.55 -0.12 -1.26 -4.30 117.98 112.67 1bwm s PHE 362 Ca 0.00 -0.39 0.10 0.00 -0.05 0.00 0.00 56.93 56.58 1bwm s PHE 362 Cb 0.00 -1.02 -0.06 0.00 -0.63 0.00 0.00 43.02 41.31 1bwm s PHE 362 CO 0.00 0.15 -0.08 -0.08 -0.05 0.00 0.00 175.22 175.16 1bwm s THR 363 N -0.97 2.48 0.15 -4.49 -1.32 -1.16 -2.56 115.64 107.77 1bwm s THR 363 Ca 0.07 -2.15 0.11 0.00 -1.21 0.00 0.00 61.69 58.50 1bwm s THR 363 Cb -0.09 -2.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.21 1bwm s THR 363 CO 0.03 -0.25 -0.25 0.27 -2.21 0.00 0.00 174.62 172.21 1bwm s ILE 364 N -2.55 2.24 0.16 5.08 -0.00 -0.27 -1.35 121.20 124.52 1bwm s ILE 364 Ca 0.33 -1.85 0.08 0.00 -0.00 0.00 0.00 60.65 59.20 1bwm s ILE 364 Cb -0.00 -2.01 -0.04 0.00 -0.00 0.00 0.00 42.46 40.41 1bwm s ILE 364 CO 0.17 -0.01 -0.17 -0.36 -0.00 0.00 0.00 174.94 174.57 1bwm s PHE 365 N -1.33 1.71 -0.31 1.37 0.40 0.29 -2.62 117.98 117.49 1bwm s PHE 365 Ca 0.16 -0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 55.94 1bwm s PHE 365 Cb -0.09 -0.86 0.03 0.00 0.51 0.00 0.00 43.02 42.61 1bwm s PHE 365 CO 0.07 0.29 0.06 0.12 0.70 0.00 0.00 175.22 176.47 1bwm s PHE 366 N -2.16 3.21 -0.51 0.36 5.36 -1.01 -2.41 117.98 120.83 1bwm s PHE 366 Ca 0.15 -1.41 -0.19 0.00 -0.96 0.00 0.00 56.93 54.52 1bwm s PHE 366 Cb -0.05 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.47 1bwm s PHE 366 CO 0.06 -0.71 0.63 1.21 -1.46 0.00 0.00 175.22 174.95 1bwm s ASN 367 N 1.39 6.23 0.03 6.13 3.84 -0.67 -4.90 114.94 126.99 1bwm s ASN 367 Ca -0.01 -0.89 -0.15 0.00 0.21 0.00 0.00 52.86 52.02 1bwm s ASN 367 Cb -0.19 -2.29 -0.35 0.00 -0.55 0.00 0.00 41.25 37.87 1bwm s ASN 367 CO 0.01 -0.90 0.99 0.11 -2.79 0.00 0.00 177.10 174.53 1bwm h LYS 368 N 9.00 0.53 -0.16 0.43 1.57 -1.96 0.59 116.57 126.57 1bwm h LYS 368 Ca -0.27 -0.90 0.05 0.00 -1.87 0.00 0.00 60.65 57.65 1bwm h LYS 368 Cb 1.09 0.34 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1bwm h LYS 368 CO 0.97 1.43 0.15 0.00 -0.57 0.00 0.00 179.45 181.43 1bwm h ARG 369 N 0.14 0.00 0.00 3.15 3.08 -1.98 -2.52 114.38 116.25 1bwm h ARG 369 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1bwm h ARG 369 Cb 2.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.22 1bwm h ARG 369 CO 0.27 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.56 1bwm n GLU 370 N -4.01 1.80 -3.55 0.04 1.02 -1.23 -5.04 120.64 109.67 1bwm n GLU 370 Ca 0.01 -0.32 -0.26 0.00 -0.02 0.00 0.00 57.16 56.57 1bwm n GLU 370 Cb 0.27 -0.81 0.05 0.00 -0.02 0.00 0.00 31.44 30.93 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bwm n LYS 371 N -0.35 -1.66 -3.92 3.49 3.00 0.20 -5.00 118.16 113.92 1bwm n LYS 371 Ca 0.00 0.59 -0.10 0.00 -0.00 0.00 0.00 58.31 58.80 1bwm n LYS 371 Cb 0.00 -4.68 -0.06 0.00 0.00 0.00 0.00 35.03 30.29 1bwm n LYS 371 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1bwm s LYS 372 N -5.50 1.23 -0.20 1.64 -2.85 -0.73 -4.60 119.74 108.72 1bwm s LYS 372 Ca 0.45 -1.13 -0.05 0.00 -1.00 0.00 0.00 55.97 54.25 1bwm s LYS 372 Cb -0.13 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 1bwm s LYS 372 CO 0.82 -0.47 0.01 -0.51 0.10 0.00 0.00 175.35 175.30 1bwm s LEU 373 N -2.96 3.28 -0.10 2.77 1.02 0.45 -1.66 118.68 121.48 1bwm s LEU 373 Ca 0.16 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.15 1bwm s LEU 373 Cb 0.02 -1.83 0.01 0.00 0.02 0.00 0.00 46.19 44.41 1bwm s LEU 373 CO 0.00 0.06 -0.18 -0.44 0.02 0.00 0.00 176.35 175.82 1bwm s SER 374 N 1.02 2.52 0.37 2.29 0.01 -1.01 -0.80 113.70 118.09 1bwm s SER 374 Ca 0.02 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.87 1bwm s SER 374 Cb -0.14 -1.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.88 1bwm s SER 374 CO 0.02 0.07 0.06 -1.48 0.41 0.00 0.00 173.24 172.33 1bwm s LEU 375 N 0.66 2.23 -0.05 2.44 0.05 -1.08 0.10 118.68 123.03 1bwm s LEU 375 Ca -0.13 -1.46 0.03 0.00 0.05 0.00 0.00 54.13 52.62 1bwm s LEU 375 Cb -0.16 -0.41 0.00 0.00 -2.05 0.00 0.00 46.19 43.57 1bwm s LEU 375 CO 0.04 -0.68 -0.15 -1.00 -0.55 0.00 0.00 176.35 174.01 1bwm s HIS 376 N -3.18 1.53 -0.21 3.48 3.76 -0.45 -2.60 115.29 117.63 1bwm s HIS 376 Ca 0.31 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.77 1bwm s HIS 376 Cb 0.07 -1.06 0.04 0.00 1.11 0.00 0.00 32.58 32.74 1bwm s HIS 376 CO 0.15 -0.19 -0.12 -1.50 -0.85 0.00 0.00 174.74 172.23 1bwm s ILE 377 N 0.22 1.79 0.36 0.60 1.10 -0.71 -2.96 121.20 121.60 1bwm s ILE 377 Ca -0.07 -1.10 0.08 0.00 -0.51 0.00 0.00 60.65 59.05 1bwm s ILE 377 Cb -0.12 -1.83 -0.03 0.00 0.15 0.00 0.00 42.46 40.63 1bwm s ILE 377 CO 0.02 0.20 0.30 0.28 -2.11 0.00 0.00 174.94 173.63 1bwm s THR 378 N 1.33 3.23 -0.32 4.00 -1.32 -1.26 -1.33 115.64 119.96 1bwm s THR 378 Ca -0.01 -1.40 -0.02 0.00 -1.21 0.00 0.00 61.69 59.05 1bwm s THR 378 Cb -0.16 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.72 1bwm s THR 378 CO -0.08 -0.13 0.07 -0.67 -2.21 0.00 0.00 174.62 171.60 1bwm n ASP 379 N -1.40 -8.03 -4.51 8.08 2.03 -1.26 -4.92 116.55 106.54 1bwm n ASP 379 Ca -0.00 1.34 -0.24 0.00 0.52 0.00 0.00 54.79 56.40 1bwm n ASP 379 Cb 0.60 -5.35 -0.11 0.00 -0.72 0.00 0.00 41.12 35.55 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1bwm s SER 380 N -1.74 3.11 0.25 1.67 0.01 0.74 -5.02 113.70 112.72 1bwm s SER 380 Ca 0.03 -1.32 0.10 0.00 1.31 0.00 0.00 55.95 56.07 1bwm s SER 380 Cb -0.01 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1bwm s SER 380 CO 0.78 -0.46 -0.18 0.00 0.41 0.00 0.00 173.24 173.79 1bwm s GLN 381 N -3.77 1.53 0.00 12.44 -2.07 -1.26 -4.15 119.66 122.38 1bwm s GLN 381 Ca 0.34 -1.69 0.00 0.00 -1.82 0.00 0.00 55.36 52.19 1bwm s GLN 381 Cb 0.08 -1.50 0.00 0.00 -1.09 0.00 0.00 33.01 30.50 1bwm s GLN 381 CO 0.16 0.27 0.00 -2.30 -1.32 0.00 0.00 175.29 172.10 1bwm n PRO 382 N -0.52 1.24 -2.10 9.60 -0.01 -1.26 -3.76 135.00 138.19 1bwm n PRO 382 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.38 1bwm n PRO 382 Cb 0.60 0.00 0.02 0.00 -0.01 0.00 0.00 33.50 34.11 1bwm n PRO 382 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bwm n GLY 383 N 0.25 0.24 2.17 -1.23 0.00 -1.26 -3.18 105.19 102.19 1bwm n GLY 383 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.02 -3.68 0.00 1.61 8.00 -1.26 -4.41 116.55 114.79 1bwm n ASP 384 Ca -0.03 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1bwm n ASP 384 Cb 0.54 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 1bwm n ASP 384 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bwm n SER 385 N -1.01 0.00 0.00 -2.24 7.64 -1.19 -4.03 113.62 112.79 1bwm n SER 385 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1bwm n SER 385 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n ALA 386 N 6.25 0.00 -3.23 -0.43 0.00 -1.08 -4.85 120.51 117.17 1bwm n ALA 386 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1bwm n ALA 386 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1bwm n ALA 386 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bwm s THR 387 N -2.00 3.56 -0.06 0.00 -4.23 -0.88 -1.94 115.64 110.09 1bwm s THR 387 Ca 0.00 -0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.11 1bwm s THR 387 Cb 0.00 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1bwm s THR 387 CO 0.00 0.45 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.01 1bwm s TYR 388 N 0.98 2.53 0.18 3.99 1.51 -1.08 -2.77 117.35 122.70 1bwm s TYR 388 Ca 0.00 -0.56 0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1bwm s TYR 388 Cb -0.15 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1bwm s TYR 388 CO 0.01 -0.11 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.19 1bwm s PHE 389 N -0.27 2.67 -0.54 2.71 0.40 -0.22 -2.59 117.98 120.14 1bwm s PHE 389 Ca 0.00 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1bwm s PHE 389 Cb -0.13 -1.31 0.14 0.00 0.51 0.00 0.00 43.02 42.24 1bwm s PHE 389 CO 0.03 0.51 0.32 0.00 0.70 0.00 0.00 175.22 176.78 1bwm s ALA 391 N -0.41 4.10 0.24 0.00 0.00 -1.26 -4.43 121.76 120.00 1bwm s ALA 391 Ca 0.20 -1.75 0.11 0.00 0.00 0.00 0.00 51.96 50.52 1bwm s ALA 391 Cb -0.18 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1bwm s ALA 391 CO -0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 175.76 175.35 1bwm s ALA 392 N -2.38 2.53 -0.31 0.00 0.00 -0.86 -3.75 121.76 116.98 1bwm s ALA 392 Ca 0.47 -1.75 0.17 0.00 0.00 0.00 0.00 51.96 50.85 1bwm s ALA 392 Cb -0.06 -0.25 0.45 0.00 0.00 0.00 0.00 23.12 23.27 1bwm s ALA 392 CO 0.29 0.28 1.28 -2.37 0.00 0.00 0.00 175.76 175.24 1bwm n THR 393 N -0.29 0.61 0.24 0.00 5.66 -1.11 -1.75 114.28 117.63 1bwm n THR 393 Ca -0.08 -2.05 0.12 0.00 -3.05 0.00 0.00 64.05 58.99 1bwm n THR 393 Cb 0.59 1.08 0.73 0.00 -1.55 0.00 0.00 70.33 71.18 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 1.98 0.00 0.00 1.09 0.00 -1.80 -3.43 103.07 100.92 1bwm h GLY 399 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1bwm h GLY 399 CO 0.05 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.03 1bwm n SER 400 N -4.28 0.00 -4.75 0.19 7.64 -1.26 -4.63 113.62 106.54 1bwm n SER 400 Ca -0.01 -0.93 -0.36 0.00 1.01 0.00 0.00 58.87 58.58 1bwm n SER 400 Cb 0.17 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.10 3.31 -1.38 1.43 -0.12 -1.26 -4.55 117.98 115.50 1bwm s PHE 401 Ca 0.00 0.30 -0.02 0.00 -0.05 0.00 0.00 56.93 57.16 1bwm s PHE 401 Cb 0.00 -1.85 -0.00 0.00 -0.63 0.00 0.00 43.02 40.54 1bwm s PHE 401 CO 0.00 0.55 0.45 0.09 -0.05 0.00 0.00 175.22 176.26 1bwm n ASN 402 N 2.14 -0.75 -3.19 1.98 3.02 -1.26 -4.95 115.26 112.25 1bwm n ASN 402 Ca -0.19 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1bwm n ASN 402 Cb 0.54 -3.07 -0.02 0.00 -0.61 0.00 0.00 39.78 36.62 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1bwm s LYS 403 N -6.51 0.53 -0.26 3.52 2.20 -1.26 -5.13 119.74 112.84 1bwm s LYS 403 Ca 0.05 0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.99 1bwm s LYS 403 Cb -0.02 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1bwm s LYS 403 CO 0.89 -1.05 0.06 -0.51 -0.36 0.00 0.00 175.35 174.38 1bwm s LEU 404 N 2.71 3.46 -0.41 5.43 1.02 -1.26 -4.35 118.68 125.28 1bwm s LEU 404 Ca 0.10 -0.32 -0.13 0.00 0.02 0.00 0.00 54.13 53.80 1bwm s LEU 404 Cb -0.10 -1.90 0.03 0.00 0.02 0.00 0.00 46.19 44.24 1bwm s LEU 404 CO -0.26 -0.06 0.27 -0.89 0.02 0.00 0.00 176.35 175.43 1bwm s THR 405 N 1.58 4.92 0.24 5.49 2.01 -0.72 -4.89 115.64 124.27 1bwm s THR 405 Ca 0.06 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.28 1bwm s THR 405 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1bwm s THR 405 CO 0.03 -0.33 0.20 0.72 -0.69 0.00 0.00 174.62 174.54 1bwm s PHE 406 N 1.61 3.13 -0.32 4.92 -0.12 -1.26 -2.04 117.98 123.90 1bwm s PHE 406 Ca 0.04 -0.09 0.16 0.00 -0.05 0.00 0.00 56.93 56.99 1bwm s PHE 406 Cb -0.20 -1.43 0.47 0.00 -0.63 0.00 0.00 43.02 41.23 1bwm s PHE 406 CO 0.08 0.52 1.04 0.41 -0.05 0.00 0.00 175.22 177.21 1bwm n GLY 407 N -1.07 2.72 2.97 1.99 0.00 -1.26 -4.68 105.19 105.87 1bwm n GLY 407 Ca -0.08 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.33 -2.77 -1.00 4.61 0.00 -1.05 -4.08 120.51 115.90 1bwm n ALA 408 Ca 0.16 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1bwm n ALA 408 Cb 0.80 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.86 -2.40 3.62 0.00 0.00 -1.26 -4.46 105.19 101.55 1bwm n GLY 409 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 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 3.38 -0.54 2.61 2.01 -1.07 -4.92 115.64 117.11 1bwm s THR 410 Ca 0.00 -1.81 0.01 0.00 0.31 0.00 0.00 61.69 60.21 1bwm s THR 410 Cb 0.00 -2.76 0.14 0.00 0.01 0.00 0.00 72.50 69.89 1bwm s THR 410 CO 0.00 -0.28 0.31 -0.13 -0.69 0.00 0.00 174.62 173.83 1bwm s ARG 411 N -3.36 2.15 0.43 4.92 0.52 -1.26 -2.62 118.95 119.72 1bwm s ARG 411 Ca 0.29 -2.53 -0.25 0.00 -0.52 0.00 0.00 55.73 52.72 1bwm s ARG 411 Cb -0.07 -3.46 -0.08 0.00 0.52 0.00 0.00 34.95 31.85 1bwm s ARG 411 CO 0.18 -1.12 1.32 -0.51 0.02 0.00 0.00 175.30 175.19 1bwm s LEU 412 N -0.10 4.15 0.15 2.53 2.01 -0.82 -4.28 118.68 122.32 1bwm s LEU 412 Ca 0.16 2.68 0.00 0.00 0.01 0.00 0.00 54.13 56.99 1bwm s LEU 412 Cb -0.23 -3.97 -0.04 0.00 0.01 0.00 0.00 46.19 41.95 1bwm s LEU 412 CO -0.02 -0.98 0.03 0.00 1.01 0.00 0.00 176.35 176.40 1bwm s ALA 413 N -1.28 1.10 -0.03 4.21 0.00 -1.09 -2.64 121.76 122.03 1bwm s ALA 413 Ca 0.59 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1bwm s ALA 413 Cb -0.38 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1bwm s ALA 413 CO 0.49 -0.41 -0.16 0.08 0.00 0.00 0.00 175.76 175.76 1bwm s VAL 414 N -3.87 2.93 0.64 0.00 1.01 -1.26 -2.04 120.40 117.82 1bwm s VAL 414 Ca 0.24 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1bwm s VAL 414 Cb 0.07 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1bwm s VAL 414 CO 0.03 0.56 1.16 -0.55 0.00 0.00 0.00 175.10 176.30 1bwm s SER 415 N -0.82 5.00 0.24 3.32 0.15 -0.98 -4.80 113.70 115.81 1bwm s SER 415 Ca 0.12 2.22 -0.06 0.00 0.70 0.00 0.00 55.95 58.93 1bwm s SER 415 Cb -0.11 -2.58 0.24 0.00 -1.71 0.00 0.00 66.02 61.87 1bwm s SER 415 CO 0.01 -1.71 1.83 -0.65 1.20 0.00 0.00 173.24 173.92 1bwm h PRO 416 N 0.36 1.17 -0.00 5.44 0.11 -1.99 -3.41 132.00 133.67 1bwm h PRO 416 Ca -0.48 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.46 1bwm h PRO 416 Cb 1.27 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1bwm h PRO 416 CO 0.54 0.90 0.00 0.98 -0.21 0.00 0.00 178.00 180.20