#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 0.28 -3.98 0.00 3.14 -1.26 -4.12 118.33 112.40 1bwm n VAL 4 Ca 0.00 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1bwm n VAL 4 Cb 0.00 -2.10 0.00 0.00 -1.06 0.00 0.00 33.84 30.68 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 7.37 0.00 -3.48 1.55 -2.24 -1.09 -4.46 114.28 111.92 1bwm n THR 5 Ca 0.35 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1bwm n THR 5 Cb 0.34 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.95 0.99 1.08 -0.78 0.74 -1.22 -2.64 119.66 115.88 1bwm s GLN 6 Ca 0.00 -0.37 -0.19 0.00 0.05 0.00 0.00 55.36 54.85 1bwm s GLN 6 Cb 0.00 0.45 0.05 0.00 1.10 0.00 0.00 33.01 34.61 1bwm s GLN 6 CO 0.00 -0.44 -0.18 0.43 -0.55 0.00 0.00 175.29 174.56 1bwm n SER 7 N -0.30 -2.54 -3.00 6.67 7.64 0.35 -4.83 113.62 117.62 1bwm n SER 7 Ca -0.11 -0.04 -0.06 0.00 1.01 0.00 0.00 58.87 59.67 1bwm n SER 7 Cb 0.63 -0.92 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.27 -2.44 -0.02 1.43 -0.05 -1.26 -4.86 135.00 126.53 1bwm n PRO 8 Ca 0.01 -0.31 0.00 0.00 -0.05 0.00 0.00 63.50 63.15 1bwm n PRO 8 Cb 0.63 -0.38 0.00 0.00 -0.05 0.00 0.00 33.50 33.70 1bwm n PRO 8 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1bwm n ARG 9 N -2.70 1.61 -3.54 0.54 1.74 -1.26 -4.82 116.66 108.23 1bwm n ARG 9 Ca 0.03 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.86 1bwm n ARG 9 Cb 0.12 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.61 1bwm n ARG 9 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bwm n ASN 10 N -0.03 -5.82 -3.48 0.55 3.02 -1.26 -5.00 115.26 103.25 1bwm n ASN 10 Ca 0.00 -0.87 -0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1bwm n ASN 10 Cb 0.00 -3.87 -0.04 0.00 -0.61 0.00 0.00 39.78 35.27 1bwm n ASN 10 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1bwm s LYS 11 N -5.33 0.55 0.33 3.52 -0.14 -1.26 -5.17 119.74 112.24 1bwm s LYS 11 Ca 0.41 1.24 0.07 0.00 -1.36 0.00 0.00 55.97 56.34 1bwm s LYS 11 Cb -0.12 0.67 -0.02 0.00 -1.68 0.00 0.00 37.83 36.68 1bwm s LYS 11 CO 0.83 -0.36 0.33 0.08 -0.76 0.00 0.00 175.35 175.47 1bwm s VAL 12 N 2.85 3.70 0.26 3.17 1.01 -1.26 -4.59 120.40 125.54 1bwm s VAL 12 Ca 0.04 -1.29 0.10 0.00 0.00 0.00 0.00 61.98 60.83 1bwm s VAL 12 Cb -0.13 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1bwm s VAL 12 CO -0.19 -0.18 -0.15 0.00 0.00 0.00 0.00 175.10 174.58 1bwm s ALA 13 N -2.27 2.48 0.24 5.51 0.00 -1.02 -4.96 121.76 121.74 1bwm s ALA 13 Ca 0.41 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1bwm s ALA 13 Cb -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1bwm s ALA 13 CO 0.27 0.14 0.15 1.33 0.00 0.00 0.00 175.76 177.66 1bwm n VAL 14 N -0.56 0.00 -1.46 0.00 0.24 -1.26 -1.77 118.33 113.52 1bwm n VAL 14 Ca -0.06 -0.97 -0.58 0.00 -2.04 0.00 0.00 64.34 60.68 1bwm n VAL 14 Cb 0.61 -0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.68 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 -0.98 0.11 -3.50 3.34 -1.04 0.26 0.54 114.28 113.02 1bwm n THR 15 Ca -0.02 -0.08 -0.19 0.00 -2.04 0.00 0.00 64.05 61.71 1bwm n THR 15 Cb 0.28 -0.95 0.08 0.00 -1.82 0.00 0.00 70.33 67.92 1bwm n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 16 N 6.12 -0.39 0.38 3.41 0.00 -1.12 -4.87 105.19 108.72 1bwm n GLY 16 Ca 0.42 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.35 -0.14 1.41 -0.02 0.00 0.19 -4.85 105.19 100.42 1bwm n GLY 17 Ca -0.23 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 45.62 1bwm n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bwm n LYS 18 N -0.04 -3.21 -3.74 1.61 4.81 -1.26 -4.79 118.16 111.54 1bwm n LYS 18 Ca 0.17 2.57 -0.15 0.00 -0.87 0.00 0.00 58.31 60.04 1bwm n LYS 18 Cb 0.27 -3.77 -0.15 0.00 0.02 0.00 0.00 35.03 31.39 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1bwm s VAL 19 N -3.99 -0.08 -0.24 3.15 1.01 -1.06 -4.85 120.40 114.33 1bwm s VAL 19 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1bwm s VAL 19 Cb 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.20 1bwm s VAL 19 CO 0.00 0.09 -0.08 -0.89 0.00 0.00 0.00 175.10 174.23 1bwm s THR 20 N 1.36 2.76 -0.07 3.92 2.01 -1.26 -1.85 115.64 122.51 1bwm s THR 20 Ca -0.07 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 60.89 1bwm s THR 20 Cb -0.12 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.02 1bwm s THR 20 CO -0.05 0.22 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.31 1bwm s LEU 21 N 1.31 0.97 -0.20 4.42 1.43 -0.73 -4.86 118.68 121.02 1bwm s LEU 21 Ca 0.00 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1bwm s LEU 21 Cb -0.16 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.54 1bwm s LEU 21 CO -0.05 -0.13 -0.14 -0.94 0.23 0.00 0.00 176.35 175.32 1bwm s SER 22 N 1.54 3.62 -0.00 2.29 1.04 -1.26 -1.48 113.70 119.45 1bwm s SER 22 Ca -0.01 -0.63 0.08 0.00 0.48 0.00 0.00 55.95 55.87 1bwm s SER 22 Cb -0.13 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 1bwm s SER 22 CO -0.04 -0.03 -0.25 0.00 0.98 0.00 0.00 173.24 173.91 1bwm s ASN 24 N -0.84 4.73 -0.23 0.00 0.02 -1.08 -2.16 114.94 115.39 1bwm s ASN 24 Ca 0.11 -1.03 -0.11 0.00 -1.02 0.00 0.00 52.86 50.81 1bwm s ASN 24 Cb -0.10 -0.15 0.08 0.00 0.02 0.00 0.00 41.25 41.10 1bwm s ASN 24 CO 0.00 -0.81 0.53 -1.58 0.02 0.00 0.00 177.10 175.26 1bwm s GLN 25 N -4.14 0.50 -0.32 -0.60 0.74 0.59 -2.68 119.66 113.75 1bwm s GLN 25 Ca 0.41 1.06 0.02 0.00 0.05 0.00 0.00 55.36 56.90 1bwm s GLN 25 Cb -0.01 0.21 0.13 0.00 1.10 0.00 0.00 33.01 34.44 1bwm s GLN 25 CO 0.24 -0.18 1.14 -2.37 -0.55 0.00 0.00 175.29 173.57 1bwm n THR 26 N 4.66 0.00 -1.30 -0.34 5.66 -1.26 -4.17 114.28 117.53 1bwm n THR 26 Ca -0.18 -0.66 -0.24 0.00 -3.05 0.00 0.00 64.05 59.91 1bwm n THR 26 Cb 0.54 0.70 0.16 0.00 -1.55 0.00 0.00 70.33 70.18 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 -0.28 4.55 -2.63 1.09 4.05 -1.26 -4.65 115.26 116.13 1bwm n ASN 27 Ca -0.22 -3.68 -0.15 0.00 0.45 0.00 0.00 54.58 50.98 1bwm n ASN 27 Cb 0.67 -0.84 0.06 0.00 1.23 0.00 0.00 39.78 40.90 1bwm n ASN 27 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1bwm n ASN 28 N -1.08 -4.27 -3.67 1.20 3.02 -1.26 -4.76 115.26 104.44 1bwm n ASN 28 Ca 0.57 -0.38 -0.09 0.00 -0.03 0.00 0.00 54.58 54.66 1bwm n ASN 28 Cb 1.36 -3.62 -0.09 0.00 -0.61 0.00 0.00 39.78 36.81 1bwm n ASN 28 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1bwm s HIS 29 N -3.23 -0.78 -2.02 3.10 2.46 -1.26 -3.95 115.29 109.61 1bwm s HIS 29 Ca 0.30 1.52 0.08 0.00 0.47 0.00 0.00 55.06 57.44 1bwm s HIS 29 Cb -0.13 0.33 0.29 0.00 -0.13 0.00 0.00 32.58 32.94 1bwm s HIS 29 CO 0.50 -0.45 1.22 0.09 -2.47 0.00 0.00 174.74 173.63 1bwm n ASN 30 N 5.04 1.11 -4.10 9.88 4.13 -1.26 -4.64 115.26 125.41 1bwm n ASN 30 Ca -0.13 -1.94 -0.36 0.00 1.68 0.00 0.00 54.58 53.83 1bwm n ASN 30 Cb 0.51 -0.13 -0.11 0.00 -1.54 0.00 0.00 39.78 38.51 1bwm n ASN 30 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1bwm s ASN 31 N -1.08 5.20 0.26 6.41 3.04 -1.26 -4.24 114.94 123.27 1bwm s ASN 31 Ca 0.17 -2.23 0.12 0.00 0.04 0.00 0.00 52.86 50.95 1bwm s ASN 31 Cb 0.09 -1.82 -0.05 0.00 -1.54 0.00 0.00 41.25 37.93 1bwm s ASN 31 CO 0.12 -0.49 -0.20 -0.32 -3.04 0.00 0.00 177.10 173.16 1bwm s MET 32 N 0.84 1.66 0.15 0.43 1.75 -1.07 -3.38 119.30 119.69 1bwm s MET 32 Ca 0.10 -1.71 -0.05 0.00 -1.25 0.00 0.00 55.69 52.78 1bwm s MET 32 Cb -0.22 -1.79 -0.02 0.00 2.84 0.00 0.00 34.83 35.63 1bwm s MET 32 CO -0.04 0.35 0.18 1.52 -0.65 0.00 0.00 175.02 176.38 1bwm s TYR 33 N -2.33 0.63 -0.07 4.11 1.13 -0.72 -2.43 117.35 117.67 1bwm s TYR 33 Ca 0.28 -0.99 0.02 0.00 -1.41 0.00 0.00 57.07 54.97 1bwm s TYR 33 Cb -0.06 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.57 1bwm s TYR 33 CO 0.14 -0.64 -0.11 -0.46 -2.51 0.00 0.00 175.55 171.98 1bwm s TRP 34 N -4.01 1.42 0.20 -3.49 -0.00 0.28 -2.85 118.94 110.49 1bwm s TRP 34 Ca 0.21 -0.56 -0.00 0.00 -0.00 0.00 0.00 56.10 55.75 1bwm s TRP 34 Cb 0.05 -1.08 -0.04 0.00 -0.00 0.00 0.00 33.47 32.40 1bwm s TRP 34 CO 0.01 -0.32 0.09 -0.47 -0.00 0.00 0.00 176.95 176.26 1bwm s TYR 35 N 0.90 1.20 0.07 5.86 6.14 -0.90 -2.52 117.35 128.10 1bwm s TYR 35 Ca -0.10 -1.26 -0.04 0.00 0.64 0.00 0.00 57.07 56.30 1bwm s TYR 35 Cb -0.15 -0.64 -0.02 0.00 0.42 0.00 0.00 41.96 41.56 1bwm s TYR 35 CO 0.01 -0.49 0.07 -0.98 0.64 0.00 0.00 175.55 174.80 1bwm s ARG 36 N -4.08 0.73 0.23 4.97 1.04 -1.08 -0.69 118.95 120.07 1bwm s ARG 36 Ca 0.34 -1.12 -0.17 0.00 -1.04 0.00 0.00 55.73 53.74 1bwm s ARG 36 Cb 0.07 0.27 -0.08 0.00 -2.04 0.00 0.00 34.95 33.17 1bwm s ARG 36 CO 0.10 -0.19 0.69 -1.14 -0.04 0.00 0.00 175.30 174.72 1bwm s GLN 37 N -3.90 4.13 -0.12 3.89 2.00 -0.64 -2.70 119.66 122.31 1bwm s GLN 37 Ca 0.07 0.73 -0.10 0.00 -2.00 0.00 0.00 55.36 54.06 1bwm s GLN 37 Cb 0.07 -2.78 -0.03 0.00 0.80 0.00 0.00 33.01 31.06 1bwm s GLN 37 CO -0.10 0.35 -0.20 -3.47 -0.50 0.00 0.00 175.29 171.38 1bwm n ASP 38 N 0.46 1.43 -0.25 6.67 2.03 -0.74 -3.94 116.55 122.21 1bwm n ASP 38 Ca -0.01 0.40 0.08 0.00 0.52 0.00 0.00 54.79 55.78 1bwm n ASP 38 Cb 0.52 -0.74 0.13 0.00 -0.72 0.00 0.00 41.12 40.31 1bwm n ASP 38 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1bwm n THR 39 N -4.03 1.67 0.00 5.18 5.66 -1.26 -4.94 114.28 116.56 1bwm n THR 39 Ca -0.08 -2.14 0.00 0.00 -3.05 0.00 0.00 64.05 58.78 1bwm n THR 39 Cb 0.30 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 1bwm n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bwm n GLY 40 N -1.16 1.92 0.00 1.09 0.00 -1.26 -4.74 105.19 101.03 1bwm n GLY 40 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.54 1.61 -0.00 -1.26 -5.00 115.22 109.02 1bwm n HIS 41 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 1bwm n HIS 41 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1bwm n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bwm n GLY 42 N 1.08 0.01 3.69 -1.39 0.00 -1.26 -3.53 105.19 103.78 1bwm n GLY 42 Ca 0.00 0.63 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 1bwm n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bwm s LEU 43 N 11.96 4.37 -0.34 0.99 1.98 -1.10 -1.79 118.68 134.75 1bwm s LEU 43 Ca 1.03 2.52 0.00 0.00 -2.89 0.00 0.00 54.13 54.79 1bwm s LEU 43 Cb -0.32 -3.56 0.14 0.00 0.66 0.00 0.00 46.19 43.11 1bwm s LEU 43 CO 0.27 -0.92 0.25 -0.60 -1.89 0.00 0.00 176.35 173.45 1bwm s ARG 44 N 2.90 0.49 0.83 1.98 3.52 -1.10 -4.62 118.95 122.95 1bwm s ARG 44 Ca 0.76 -0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 1bwm s ARG 44 Cb -0.40 -1.07 0.09 0.00 -1.56 0.00 0.00 34.95 32.01 1bwm s ARG 44 CO 0.33 -1.16 1.12 -1.17 -0.81 0.00 0.00 175.30 173.61 1bwm s LEU 45 N 1.43 2.98 0.00 -0.88 0.20 -1.26 -2.65 118.68 118.49 1bwm s LEU 45 Ca 0.16 2.03 0.00 0.00 0.69 0.00 0.00 54.13 57.00 1bwm s LEU 45 Cb -0.19 -4.55 0.00 0.00 -0.43 0.00 0.00 46.19 41.02 1bwm s LEU 45 CO -0.09 -2.53 0.00 2.30 -0.29 0.00 0.00 176.35 175.75 1bwm n ILE 46 N -3.77 0.00 -4.04 6.68 -0.00 -1.06 -3.28 119.36 113.89 1bwm n ILE 46 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.76 1bwm n ILE 46 Cb 0.52 -0.03 -0.11 0.00 -0.00 0.00 0.00 39.64 40.03 1bwm n ILE 46 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1bwm s HIS 47 N -1.04 0.49 -0.28 4.28 2.46 -1.05 0.12 115.29 120.26 1bwm s HIS 47 Ca 0.00 -0.66 -0.24 0.00 0.47 0.00 0.00 55.06 54.63 1bwm s HIS 47 Cb 0.00 -0.32 0.13 0.00 -0.13 0.00 0.00 32.58 32.26 1bwm s HIS 47 CO 0.00 -0.19 1.07 1.52 -2.47 0.00 0.00 174.74 174.67 1bwm s TYR 48 N -2.11 -0.44 -0.00 3.88 1.13 -1.26 0.10 117.35 118.65 1bwm s TYR 48 Ca -0.07 1.03 -0.01 0.00 -1.41 0.00 0.00 57.07 56.62 1bwm s TYR 48 Cb -0.05 0.37 -0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1bwm s TYR 48 CO -0.03 -0.21 0.01 -1.12 -2.51 0.00 0.00 175.55 171.70 1bwm s SER 49 N 0.33 0.01 0.00 -0.18 0.01 -1.02 -4.72 113.70 108.13 1bwm s SER 49 Ca 0.02 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1bwm s SER 49 Cb -0.05 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1bwm s SER 49 CO -0.08 -0.04 0.00 0.00 0.41 0.00 0.00 173.24 173.53 1bwm n TYR 50 N 2.92 0.00 -1.34 2.43 4.11 -1.26 -2.60 117.16 121.41 1bwm n TYR 50 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.70 1bwm n TYR 50 Cb 0.59 0.00 0.21 0.00 -0.00 0.00 0.00 39.34 40.14 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 0.64 4.68 1.74 -7.48 0.00 -1.26 -4.51 105.19 99.00 1bwm n GLY 51 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.02 -2.09 -3.18 4.61 0.00 -1.26 -4.81 120.51 112.76 1bwm n ALA 52 Ca 0.38 0.45 -0.07 0.00 0.00 0.00 0.00 53.44 54.20 1bwm n ALA 52 Cb 1.17 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 0.37 -1.21 2.22 0.00 0.00 -0.63 -4.98 105.19 100.96 1bwm n GLY 53 Ca 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.30 0.56 -4.80 1.61 7.64 -1.26 -5.06 113.62 110.01 1bwm n SER 54 Ca -0.04 -3.00 -0.35 0.00 1.01 0.00 0.00 58.87 56.49 1bwm n SER 54 Cb 0.55 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.10 4.21 -0.16 0.44 -4.23 -1.26 -4.37 115.64 108.17 1bwm s THR 55 Ca 0.38 1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 62.20 1bwm s THR 55 Cb 0.32 -3.79 0.14 0.00 1.34 0.00 0.00 72.50 70.50 1bwm s THR 55 CO -0.08 -0.07 1.10 -1.83 -0.54 0.00 0.00 174.62 173.19 1bwm s GLU 56 N -2.58 0.47 -0.07 3.99 -1.05 -1.26 -5.06 118.70 113.13 1bwm s GLU 56 Ca 0.56 -0.05 -0.26 0.00 -0.15 0.00 0.00 54.97 55.08 1bwm s GLU 56 Cb -0.15 0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1bwm s GLU 56 CO 0.20 -0.18 0.81 0.15 0.95 0.00 0.00 175.26 177.19 1bwm s LYS 57 N -1.91 4.44 0.00 -4.83 3.01 -1.26 -4.45 119.74 114.74 1bwm s LYS 57 Ca 0.05 1.06 0.00 0.00 -1.01 0.00 0.00 55.97 56.07 1bwm s LYS 57 Cb -0.01 -3.48 0.00 0.00 -1.01 0.00 0.00 37.83 33.34 1bwm s LYS 57 CO -0.04 -0.05 0.00 0.41 0.51 0.00 0.00 175.35 176.18 1bwm n GLY 58 N 3.12 1.69 0.00 -3.33 0.00 0.32 -4.89 105.19 102.11 1bwm n GLY 58 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 0.91 -4.90 1.61 2.03 -1.21 -4.98 116.55 110.01 1bwm n ASP 59 Ca 0.00 -0.45 -0.28 0.00 0.52 0.00 0.00 54.79 54.58 1bwm n ASP 59 Cb 0.00 1.40 0.01 0.00 -0.72 0.00 0.00 41.12 41.80 1bwm n ASP 59 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1bwm s ILE 60 N -2.90 4.65 0.00 5.18 -5.25 -1.26 -5.08 121.20 116.55 1bwm s ILE 60 Ca 0.00 0.29 0.00 0.00 -0.99 0.00 0.00 60.65 59.95 1bwm s ILE 60 Cb 0.12 -3.79 0.00 0.00 2.95 0.00 0.00 42.46 41.74 1bwm s ILE 60 CO 0.71 -0.83 0.00 -0.81 -1.79 0.00 0.00 174.94 172.21 1bwm n PRO 61 N -2.41 -0.35 -3.89 0.37 -0.05 -1.26 -4.96 135.00 122.45 1bwm n PRO 61 Ca 0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 63.50 63.12 1bwm n PRO 61 Cb 0.55 0.00 -0.14 0.00 -0.05 0.00 0.00 33.50 33.87 1bwm n PRO 61 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 175.50 175.61 1bwm s ASP 62 N -1.83 4.49 0.00 3.54 -4.77 -1.26 -4.86 116.67 111.97 1bwm s ASP 62 Ca 0.00 -0.59 0.00 0.00 -3.30 0.00 0.00 52.55 48.66 1bwm s ASP 62 Cb 0.00 -1.75 0.00 0.00 -1.09 0.00 0.00 42.92 40.08 1bwm s ASP 62 CO 0.00 -0.09 0.00 0.61 0.70 0.00 0.00 175.17 176.39 1bwm n GLY 63 N 4.78 -0.26 3.95 2.12 0.00 -1.26 -5.13 105.19 109.39 1bwm n GLY 63 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.68 2.18 0.04 1.61 -0.85 -1.26 -4.60 117.35 112.79 1bwm s TYR 65 Ca 0.00 0.20 0.07 0.00 -0.52 0.00 0.00 57.07 56.83 1bwm s TYR 65 Cb 0.00 -3.39 -0.03 0.00 0.38 0.00 0.00 41.96 38.92 1bwm s TYR 65 CO 0.00 -1.83 -0.21 0.21 -1.52 0.00 0.00 175.55 172.19 1bwm s LYS 66 N -5.39 1.44 0.07 -3.49 2.20 -0.53 -4.99 119.74 109.05 1bwm s LYS 66 Ca 0.66 -0.96 0.05 0.00 -0.36 0.00 0.00 55.97 55.37 1bwm s LYS 66 Cb -0.07 -1.56 -0.03 0.00 -1.51 0.00 0.00 37.83 34.66 1bwm s LYS 66 CO 0.47 0.40 -0.15 0.00 -0.36 0.00 0.00 175.35 175.71 1bwm s ALA 67 N -0.79 1.26 0.01 3.13 0.00 -1.26 -2.35 121.76 121.75 1bwm s ALA 67 Ca 0.08 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1bwm s ALA 67 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1bwm s ALA 67 CO 0.02 0.20 -0.10 -1.12 0.00 0.00 0.00 175.76 174.76 1bwm s SER 68 N -1.66 1.13 -0.41 0.00 0.01 -0.84 -4.98 113.70 106.95 1bwm s SER 68 Ca -0.00 -0.26 0.07 0.00 1.31 0.00 0.00 55.95 57.06 1bwm s SER 68 Cb -0.10 -0.10 0.22 0.00 0.21 0.00 0.00 66.02 66.26 1bwm s SER 68 CO 0.02 0.06 0.53 -1.14 0.41 0.00 0.00 173.24 173.12 1bwm n ARG 69 N 2.51 0.56 -0.20 12.44 3.00 -1.26 -2.66 116.66 131.06 1bwm n ARG 69 Ca -0.15 -2.96 -0.05 0.00 -0.00 0.00 0.00 57.85 54.68 1bwm n ARG 69 Cb 0.56 -1.38 0.04 0.00 0.00 0.00 0.00 32.46 31.68 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 4.51 0.69 0.00 -0.14 0.13 -1.98 -1.68 132.00 133.53 1bwm h PRO 70 Ca 0.10 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.98 1bwm h PRO 70 Cb 0.92 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.84 1bwm h PRO 70 CO 0.39 0.46 -0.19 0.43 -0.23 0.00 0.00 178.00 178.87 1bwm n SER 71 N -4.74 0.61 -0.29 1.44 7.64 -1.26 -4.43 113.62 112.60 1bwm n SER 71 Ca 0.05 -1.87 0.09 0.00 1.01 0.00 0.00 58.87 58.14 1bwm n SER 71 Cb 0.06 0.50 0.42 0.00 -1.01 0.00 0.00 64.21 64.18 1bwm n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n GLN 72 N -0.33 1.37 -0.00 1.43 1.13 -1.26 -3.65 117.38 116.08 1bwm n GLN 72 Ca -0.01 -0.56 0.01 0.00 -1.94 0.00 0.00 57.00 54.50 1bwm n GLN 72 Cb 0.24 -1.32 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 1bwm n GLN 72 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1bwm n GLU 73 N -0.20 2.80 -4.37 -1.09 1.02 -1.26 -4.73 120.64 112.81 1bwm n GLU 73 Ca 0.14 -0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 1bwm n GLU 73 Cb 0.19 -0.83 -0.09 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.70 5.10 -0.30 1.62 -0.87 -1.24 -0.30 114.94 117.25 1bwm s ASN 74 Ca -0.00 0.05 -0.11 0.00 -1.57 0.00 0.00 52.86 51.23 1bwm s ASN 74 Cb 0.01 -1.37 0.12 0.00 -0.02 0.00 0.00 41.25 39.99 1bwm s ASN 74 CO 0.05 0.33 0.69 0.12 -2.57 0.00 0.00 177.10 175.72 1bwm s PHE 75 N -0.96 -1.24 0.01 2.20 2.19 -0.92 -4.34 117.98 114.93 1bwm s PHE 75 Ca 0.16 2.20 0.05 0.00 0.33 0.00 0.00 56.93 59.67 1bwm s PHE 75 Cb -0.11 0.74 -0.02 0.00 -1.31 0.00 0.00 43.02 42.32 1bwm s PHE 75 CO 0.06 -0.62 -0.16 -1.54 1.83 0.00 0.00 175.22 174.79 1bwm s SER 76 N 2.64 1.85 -0.04 6.13 1.04 -1.09 -1.09 113.70 123.14 1bwm s SER 76 Ca -0.06 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1bwm s SER 76 Cb -0.10 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1bwm s SER 76 CO -0.19 0.13 -0.04 -0.76 0.98 0.00 0.00 173.24 173.36 1bwm s LEU 77 N -0.75 1.38 0.05 2.42 2.01 -0.55 -1.99 118.68 121.25 1bwm s LEU 77 Ca 0.05 -0.12 -0.08 0.00 0.01 0.00 0.00 54.13 53.98 1bwm s LEU 77 Cb -0.07 -0.43 -0.00 0.00 0.01 0.00 0.00 46.19 45.70 1bwm s LEU 77 CO 0.00 -0.04 0.17 0.27 1.01 0.00 0.00 176.35 177.76 1bwm s ILE 78 N 0.82 0.12 0.35 -0.59 -0.00 -0.99 -1.76 121.20 119.15 1bwm s ILE 78 Ca -0.11 -1.02 0.09 0.00 -0.00 0.00 0.00 60.65 59.61 1bwm s ILE 78 Cb -0.14 -1.02 -0.05 0.00 -0.00 0.00 0.00 42.46 41.25 1bwm s ILE 78 CO 0.00 -0.56 0.06 -0.76 -0.00 0.00 0.00 174.94 173.68 1bwm s LEU 79 N -2.28 3.05 0.00 0.37 1.02 -0.77 -1.45 118.68 118.62 1bwm s LEU 79 Ca -0.03 -0.97 0.00 0.00 0.02 0.00 0.00 54.13 53.15 1bwm s LEU 79 Cb 0.00 -1.43 0.00 0.00 0.02 0.00 0.00 46.19 44.79 1bwm s LEU 79 CO -0.06 -0.29 0.32 -1.84 0.02 0.00 0.00 176.35 174.50 1bwm n GLU 80 N -1.03 -0.16 -3.15 1.70 0.28 -1.26 -2.56 120.64 114.46 1bwm n GLU 80 Ca -0.04 -0.36 0.05 0.00 -0.16 0.00 0.00 57.16 56.66 1bwm n GLU 80 Cb 0.63 -0.74 -0.00 0.00 1.43 0.00 0.00 31.44 32.75 1bwm n GLU 80 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1bwm s LEU 81 N -0.08 -0.41 0.17 -1.84 2.96 -1.26 -4.70 118.68 113.52 1bwm s LEU 81 Ca 0.00 0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 1bwm s LEU 81 Cb 0.00 1.28 -0.04 0.00 0.50 0.00 0.00 46.19 47.93 1bwm s LEU 81 CO 0.00 -0.08 -0.04 0.00 -1.32 0.00 0.00 176.35 174.92 1bwm s ALA 82 N 2.96 3.11 0.39 5.97 0.00 -1.26 -4.92 121.76 128.00 1bwm s ALA 82 Ca 0.20 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.86 1bwm s ALA 82 Cb -0.04 -0.91 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 1bwm s ALA 82 CO -0.20 0.49 0.07 0.95 0.00 0.00 0.00 175.76 177.07 1bwm s THR 83 N -1.68 2.31 0.00 0.00 -4.23 -1.26 -2.80 115.64 107.99 1bwm s THR 83 Ca 0.26 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1bwm s THR 83 Cb -0.09 -2.92 -0.09 0.00 1.34 0.00 0.00 72.50 70.74 1bwm s THR 83 CO 0.17 -0.07 1.53 -0.81 -0.54 0.00 0.00 174.62 174.90 1bwm n PRO 84 N -1.05 0.68 0.00 3.99 -0.05 -1.23 -2.45 135.00 134.89 1bwm n PRO 84 Ca -0.03 -0.32 0.00 0.00 -0.05 0.00 0.00 63.50 63.10 1bwm n PRO 84 Cb 0.65 -1.64 0.00 0.00 -0.05 0.00 0.00 33.50 32.46 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 2.69 0.00 0.00 3.54 7.64 -1.26 -5.00 113.62 121.23 1bwm n SER 85 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1bwm n SER 85 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1bwm n SER 85 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1bwm n GLN 86 N 0.00 0.98 -0.15 1.43 7.27 -1.03 -5.09 117.38 120.79 1bwm n GLN 86 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 1bwm n GLN 86 Cb 0.00 -0.65 0.10 0.00 2.41 0.00 0.00 30.24 32.10 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 -1.12 0.00 -3.59 1.69 -1.04 -1.26 -5.00 114.28 103.97 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 0.15 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 1bwm n THR 87 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1bwm n SER 88 N -3.05 0.00 -4.38 8.00 3.41 -1.05 -4.98 113.62 111.57 1bwm n SER 88 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 1bwm n SER 88 Cb 0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1bwm n SER 88 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bwm s VAL 89 N -3.00 4.83 -0.25 -3.33 1.01 -1.25 -2.33 120.40 116.07 1bwm s VAL 89 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 1bwm s VAL 89 Cb 0.00 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1bwm s VAL 89 CO 0.00 -0.39 0.99 -0.31 0.00 0.00 0.00 175.10 175.39 1bwm s TYR 90 N 1.58 3.29 0.07 5.22 1.51 0.26 -1.63 117.35 127.65 1bwm s TYR 90 Ca 0.03 1.31 0.10 0.00 -1.01 0.00 0.00 57.07 57.50 1bwm s TYR 90 Cb -0.21 -3.30 -0.03 0.00 -0.11 0.00 0.00 41.96 38.30 1bwm s TYR 90 CO 0.07 -0.53 -0.26 -0.06 -1.11 0.00 0.00 175.55 173.66 1bwm s PHE 91 N 3.20 2.33 -0.04 2.71 0.40 0.13 -0.19 117.98 126.52 1bwm s PHE 91 Ca 0.42 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1bwm s PHE 91 Cb -0.14 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.04 1bwm s PHE 91 CO 0.08 0.20 -0.12 0.00 0.70 0.00 0.00 175.22 176.08 1bwm s ALA 93 N 0.37 -1.55 0.00 0.00 0.00 -1.13 -2.46 121.76 116.98 1bwm s ALA 93 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1bwm s ALA 93 Cb -0.12 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1bwm s ALA 93 CO 0.02 -0.78 0.00 -1.13 0.00 0.00 0.00 175.76 173.87 1bwm n SER 94 N -0.38 0.36 0.00 0.00 3.41 -1.25 -1.75 113.62 114.01 1bwm n SER 94 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1bwm n SER 94 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1bwm n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 95 N 2.52 4.75 3.46 5.00 0.00 -1.22 -2.22 105.19 117.50 1bwm n GLY 95 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1bwm n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 96 N 0.00 -0.56 0.74 -0.02 0.00 -1.26 -4.42 107.32 101.80 1bwm s GLY 96 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 45.52 1bwm s GLY 96 CO 0.00 0.57 1.09 -0.86 0.00 0.00 0.00 173.10 173.90 1bwm s GLN 97 N -2.27 2.49 -0.77 2.90 -2.07 -1.25 -3.09 119.66 115.59 1bwm s GLN 97 Ca -0.06 1.16 -0.03 0.00 -1.82 0.00 0.00 55.36 54.61 1bwm s GLN 97 Cb -0.00 -1.93 0.00 0.00 -1.09 0.00 0.00 33.01 29.99 1bwm s GLN 97 CO 0.00 -1.47 0.66 0.41 -1.32 0.00 0.00 175.29 173.57 1bwm n GLY 98 N -1.26 0.01 2.88 2.60 0.00 -1.26 -4.29 105.19 103.86 1bwm n GLY 98 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.05 -2.50 -4.43 1.61 1.74 -1.25 -5.01 116.66 103.76 1bwm n ARG 99 Ca -0.08 2.15 -0.25 0.00 -0.77 0.00 0.00 57.85 58.89 1bwm n ARG 99 Cb 0.57 -3.49 -0.13 0.00 -1.02 0.00 0.00 32.46 28.39 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 -1.07 1.82 0.39 7.54 0.00 -1.18 -5.00 121.76 124.27 1bwm s ALA 104 Ca -0.05 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 1bwm s ALA 104 Cb 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 1bwm s ALA 104 CO 0.46 0.38 1.35 -2.00 0.00 0.00 0.00 175.76 175.96 1bwm s GLU 105 N -1.64 4.02 0.32 0.00 2.12 -1.26 -4.30 118.70 117.95 1bwm s GLU 105 Ca 0.07 2.28 -0.29 0.00 0.36 0.00 0.00 54.97 57.38 1bwm s GLU 105 Cb -0.10 -2.83 -0.11 0.00 0.26 0.00 0.00 34.13 31.35 1bwm s GLU 105 CO 0.03 -0.49 1.58 -1.14 -0.54 0.00 0.00 175.26 174.70 1bwm s GLN 106 N -2.17 4.11 -1.15 4.30 2.00 -1.26 -4.62 119.66 120.87 1bwm s GLN 106 Ca 0.55 2.60 -0.08 0.00 -2.00 0.00 0.00 55.36 56.43 1bwm s GLN 106 Cb -0.41 -3.00 0.25 0.00 0.80 0.00 0.00 33.01 30.65 1bwm s GLN 106 CO 0.53 -0.62 1.49 1.19 -0.50 0.00 0.00 175.29 177.38 1bwm n PHE 107 N 1.74 3.41 -1.84 1.67 3.01 -0.94 -4.65 117.46 119.87 1bwm n PHE 107 Ca 0.06 -3.02 -0.43 0.00 1.01 0.00 0.00 57.45 55.08 1bwm n PHE 107 Cb 0.38 -1.63 -0.03 0.00 -0.01 0.00 0.00 39.48 38.19 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 -1.18 1.59 0.60 1.38 0.08 -1.26 -3.87 117.98 115.32 1bwm s PHE 108 Ca 0.34 0.21 -0.08 0.00 0.12 0.00 0.00 56.93 57.52 1bwm s PHE 108 Cb 0.02 -4.04 0.13 0.00 -0.57 0.00 0.00 43.02 38.56 1bwm s PHE 108 CO 0.03 -4.12 0.82 0.41 -0.10 0.00 0.00 175.22 172.26 1bwm n GLY 109 N 4.88 -0.74 3.55 4.36 0.00 -1.03 -4.83 105.19 111.38 1bwm n GLY 109 Ca 0.22 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 1bwm n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bwm s PRO 110 N -4.71 1.95 1.17 1.61 0.04 -1.26 -4.75 135.00 129.05 1bwm s PRO 110 Ca 0.48 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 1bwm s PRO 110 Cb -0.02 -4.67 0.27 0.00 0.04 0.00 0.00 34.50 30.13 1bwm s PRO 110 CO 0.33 -3.70 1.13 0.20 0.04 0.00 0.00 177.00 175.01 1bwm s GLY 111 N 11.37 1.60 0.00 0.56 0.00 -1.26 -4.34 107.32 115.25 1bwm s GLY 111 Ca 0.93 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1bwm s GLY 111 CO 0.18 -0.08 -0.11 -1.59 0.00 0.00 0.00 173.10 171.49 1bwm s THR 112 N -3.09 0.89 -0.19 0.90 2.01 0.74 -4.85 115.64 112.04 1bwm s THR 112 Ca 0.71 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1bwm s THR 112 Cb -0.10 -0.77 0.05 0.00 0.01 0.00 0.00 72.50 71.70 1bwm s THR 112 CO 0.56 0.18 -0.03 0.00 -0.69 0.00 0.00 174.62 174.63 1bwm s ARG 113 N -0.47 1.31 0.03 4.92 3.03 -1.26 0.90 118.95 127.42 1bwm s ARG 113 Ca 0.03 -0.64 -0.03 0.00 2.03 0.00 0.00 55.73 57.13 1bwm s ARG 113 Cb -0.05 -2.21 -0.02 0.00 -1.03 0.00 0.00 34.95 31.64 1bwm s ARG 113 CO -0.00 -0.53 0.02 -0.48 -1.13 0.00 0.00 175.30 173.18 1bwm s LEU 114 N 1.61 2.12 -0.02 -1.89 0.05 -0.98 -4.75 118.68 114.82 1bwm s LEU 114 Ca -0.02 -0.63 0.06 0.00 0.05 0.00 0.00 54.13 53.59 1bwm s LEU 114 Cb -0.17 0.33 -0.01 0.00 -2.05 0.00 0.00 46.19 44.29 1bwm s LEU 114 CO -0.07 -0.46 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.19 1bwm s THR 115 N -2.53 1.53 -0.39 5.48 2.01 -1.26 -2.52 115.64 117.95 1bwm s THR 115 Ca -0.06 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 1bwm s THR 115 Cb -0.02 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1bwm s THR 115 CO -0.05 0.43 0.43 -0.69 -0.69 0.00 0.00 174.62 174.05 1bwm s VAL 116 N -0.43 5.10 0.97 3.82 1.01 -1.25 -2.44 120.40 127.19 1bwm s VAL 116 Ca 0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1bwm s VAL 116 Cb -0.08 -3.97 0.17 0.00 0.00 0.00 0.00 36.38 32.51 1bwm s VAL 116 CO -0.01 -0.31 1.09 -0.76 0.00 0.00 0.00 175.10 175.11 1bwm s LEU 116 N 2.15 1.79 0.00 3.92 2.01 -0.73 -3.54 118.68 124.28 1bwm s LEU 116 Ca 0.13 1.33 0.00 0.00 0.01 0.00 0.00 54.13 55.60 1bwm s LEU 116 Cb -0.17 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.45 1bwm s LEU 116 CO 0.13 -3.04 0.00 0.61 1.01 0.00 0.00 176.35 175.06 1bwm n GLY 201 N -0.94 0.00 2.91 -3.19 0.00 -1.26 0.91 105.19 103.61 1bwm n GLY 201 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1bwm n GLY 201 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 202 N 0.00 -5.48 0.24 1.61 3.41 -1.26 -4.71 113.62 107.42 1bwm n SER 202 Ca 0.00 1.03 0.18 0.00 -0.26 0.00 0.00 58.87 59.82 1bwm n SER 202 Cb 0.00 -3.29 0.85 0.00 -0.26 0.00 0.00 64.21 61.51 1bwm n SER 202 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1bwm h ASP 203 N 4.11 0.00 -3.83 4.04 2.03 -1.97 -3.48 116.42 117.32 1bwm h ASP 203 Ca -0.16 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.20 1bwm h ASP 203 Cb 0.58 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.05 1bwm h ASP 203 CO 0.02 0.00 -0.97 0.00 -1.03 0.00 0.00 179.24 177.26 1bwm n TYR 204 N -3.40 -4.00 -2.62 4.15 9.36 -1.26 -4.69 117.16 114.70 1bwm n TYR 204 Ca 0.01 2.17 -0.35 0.00 3.32 0.00 0.00 57.90 63.06 1bwm n TYR 204 Cb 0.38 -3.43 0.00 0.00 -0.63 0.00 0.00 39.34 35.66 1bwm n TYR 204 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1bwm n LYS 205 N -2.84 4.10 -2.27 2.98 5.02 -1.26 -5.04 118.16 118.85 1bwm n LYS 205 Ca -0.02 -4.55 -0.41 0.00 -2.02 0.00 0.00 58.31 51.31 1bwm n LYS 205 Cb 0.49 -2.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 1bwm n LYS 205 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bwm s ASP 206 N -2.27 6.98 -0.43 4.39 1.01 -1.26 -4.96 116.67 120.13 1bwm s ASP 206 Ca 0.45 2.44 0.10 0.00 0.71 0.00 0.00 52.55 56.25 1bwm s ASP 206 Cb 0.28 -2.63 0.39 0.00 1.01 0.00 0.00 42.92 41.97 1bwm s ASP 206 CO -0.18 -0.40 0.93 -0.90 0.21 0.00 0.00 175.17 174.83 1bwm n ASP 207 N 1.61 2.80 0.00 0.27 5.75 -1.26 -5.06 116.55 120.66 1bwm n ASP 207 Ca 0.02 -3.27 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 1bwm n ASP 207 Cb 0.43 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1bwm n ASP 207 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1bwm n ASP 208 N -0.11 0.00 -2.97 -1.12 5.75 -1.26 -5.03 116.55 111.80 1bwm n ASP 208 Ca 0.26 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.92 1bwm n ASP 208 Cb 0.63 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.74 1bwm n ASP 208 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bwm n ASP 209 N 0.00 -7.41 -0.98 -1.12 9.92 -1.26 -4.93 116.55 110.77 1bwm n ASP 209 Ca 0.00 0.60 -0.01 0.00 -0.53 0.00 0.00 54.79 54.86 1bwm n ASP 209 Cb 0.00 -4.38 0.20 0.00 -0.64 0.00 0.00 41.12 36.30 1bwm n ASP 209 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1bwm n LYS 210 N 0.08 1.79 -1.79 -1.24 2.85 -1.26 -5.05 118.16 113.55 1bwm n LYS 210 Ca 0.04 -3.20 -0.37 0.00 -1.05 0.00 0.00 58.31 53.73 1bwm n LYS 210 Cb 0.40 -1.76 0.05 0.00 -0.65 0.00 0.00 35.03 33.08 1bwm n LYS 210 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1bwm s ARG 211 N -3.23 2.83 0.25 -1.58 1.04 -1.26 -4.84 118.95 112.17 1bwm s ARG 211 Ca 0.42 2.11 0.00 0.00 -1.04 0.00 0.00 55.73 57.22 1bwm s ARG 211 Cb 0.39 -2.02 0.00 0.00 -2.04 0.00 0.00 34.95 31.28 1bwm s ARG 211 CO -0.02 -1.39 0.00 0.43 -0.04 0.00 0.00 175.30 174.28 1bwm n SER 212 N -1.52 -2.28 0.00 -2.89 7.64 -1.26 -5.12 113.62 108.19 1bwm n SER 212 Ca 0.13 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1bwm n SER 212 Cb 0.47 2.31 0.00 0.00 -1.01 0.00 0.00 64.21 65.98 1bwm n SER 212 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwm n GLY 213 N -1.36 -1.44 7.00 0.23 0.00 -1.26 -5.10 105.19 103.25 1bwm n GLY 213 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1bwm n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 214 N 0.00 1.36 0.00 -0.02 0.00 -1.26 -4.70 105.19 100.58 1bwm n GLY 214 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1bwm n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 215 N 0.00 3.34 2.65 -0.02 0.00 -1.26 -5.02 105.19 104.89 1bwm n GLY 215 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 2.69 5.79 3.02 -0.02 0.00 -1.26 -4.88 105.19 110.53 1bwm n GLY 216 Ca 0.00 -2.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.10 1bwm n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwm s SER 217 N -2.25 5.28 0.00 1.61 0.15 -1.26 -4.90 113.70 112.32 1bwm s SER 217 Ca 0.51 -3.55 0.00 0.00 0.70 0.00 0.00 55.95 53.61 1bwm s SER 217 Cb 0.43 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1bwm s SER 217 CO -0.27 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1bwm n GLY 218 N 2.48 -0.81 2.35 9.45 0.00 -1.26 -5.07 105.19 112.33 1bwm n GLY 218 Ca 0.17 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 0.85 2.73 2.93 -0.02 0.00 -1.26 -5.00 105.19 105.43 1bwm n GLY 219 Ca 0.00 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 0.27 5.05 2.67 -0.02 0.00 -1.26 -4.61 105.19 107.30 1bwm n GLY 220 Ca 0.19 -2.44 -0.05 0.00 0.00 0.00 0.00 46.02 43.73 1bwm n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 221 N 1.85 -1.42 1.44 -0.02 0.00 -1.26 -5.02 105.19 100.77 1bwm n GLY 221 Ca 0.32 0.85 0.04 0.00 0.00 0.00 0.00 46.02 47.22 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 1.20 1.25 -4.62 1.61 2.88 -1.26 -5.05 113.62 109.62 1bwm n SER 222 Ca 0.00 -2.39 -0.39 0.00 -1.33 0.00 0.00 58.87 54.76 1bwm n SER 222 Cb 0.71 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 1bwm n SER 222 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1bwm s GLY 223 N -2.40 1.91 0.00 0.46 0.00 -1.26 -4.89 107.32 101.13 1bwm s GLY 223 Ca 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1bwm s GLY 223 CO -0.14 1.04 0.00 0.61 0.00 0.00 0.00 173.10 174.62 1bwm n GLY 224 N 4.44 2.76 3.84 0.20 0.00 -1.26 -4.89 105.19 110.27 1bwm n GLY 224 Ca -0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.00 0.00 0.00 1.61 0.01 -1.26 -5.18 113.70 104.88 1bwm s SER 225 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1bwm s SER 225 Cb 0.00 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1bwm s SER 225 CO 0.00 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.88 1bwm n GLY 226 N -0.60 2.12 3.41 3.44 0.00 -1.26 -5.18 105.19 107.11 1bwm n GLY 226 Ca -0.06 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 1bwm n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 227 N -2.22 2.26 0.14 4.61 0.00 -1.26 -5.28 121.76 120.01 1bwm s ALA 227 Ca 0.00 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.13 1bwm s ALA 227 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1bwm s ALA 227 CO 0.00 -0.04 -0.03 -0.65 0.00 0.00 0.00 175.76 175.04 1bwm s GLN 301 N -3.71 1.01 -0.00 0.00 -0.21 -1.26 -5.31 119.66 110.18 1bwm s GLN 301 Ca 0.28 -1.46 -0.00 0.00 0.02 0.00 0.00 55.36 54.20 1bwm s GLN 301 Cb 0.03 -0.26 -0.00 0.00 1.00 0.00 0.00 33.01 33.77 1bwm s GLN 301 CO 0.11 -0.08 -0.01 1.04 -2.12 0.00 0.00 175.29 174.23 1bwm n GLN 302 N -0.17 0.02 -1.93 2.91 1.13 -1.26 -4.86 117.38 113.22 1bwm n GLN 302 Ca -0.09 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.55 1bwm n GLN 302 Cb 0.62 -0.53 -0.03 0.00 0.11 0.00 0.00 30.24 30.42 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 -2.02 3.42 -0.38 5.09 1.01 -1.26 -3.41 120.40 122.86 1bwm s VAL 303 Ca -0.01 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1bwm s VAL 303 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 33.00 1bwm s VAL 303 CO 0.01 -0.24 0.16 -0.60 0.00 0.00 0.00 175.10 174.43 1bwm s ARG 304 N 5.31 2.16 -0.63 2.72 6.06 -1.09 -4.29 118.95 129.18 1bwm s ARG 304 Ca 0.82 -1.65 -0.13 0.00 -2.50 0.00 0.00 55.73 52.28 1bwm s ARG 304 Cb -0.28 -3.50 0.16 0.00 0.06 0.00 0.00 34.95 31.40 1bwm s ARG 304 CO 0.33 -0.94 0.56 -1.14 -2.50 0.00 0.00 175.30 171.60 1bwm s GLN 305 N 1.19 3.06 -0.38 5.12 -0.44 -1.26 -0.68 119.66 126.28 1bwm s GLN 305 Ca 0.05 -2.06 -0.32 0.00 -2.50 0.00 0.00 55.36 50.52 1bwm s GLN 305 Cb -0.22 -4.22 0.05 0.00 -1.64 0.00 0.00 33.01 26.98 1bwm s GLN 305 CO -0.03 -1.27 0.55 -1.13 0.50 0.00 0.00 175.29 173.91 1bwm n SER 306 N 4.57 -5.82 -3.36 6.67 3.41 -0.28 -4.27 113.62 114.54 1bwm n SER 306 Ca -0.01 -0.02 -0.30 0.00 -0.26 0.00 0.00 58.87 58.28 1bwm n SER 306 Cb 0.42 -1.87 -0.05 0.00 -0.26 0.00 0.00 64.21 62.45 1bwm n SER 306 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1bwm n PRO 307 N 0.05 0.89 0.00 4.33 -0.05 -1.26 -4.43 135.00 134.53 1bwm n PRO 307 Ca -0.06 -1.24 0.00 0.00 -0.05 0.00 0.00 63.50 62.15 1bwm n PRO 307 Cb 0.64 -2.51 0.00 0.00 -0.05 0.00 0.00 33.50 31.58 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 6.25 0.00 -2.20 0.54 6.02 -1.26 -5.15 117.38 121.57 1bwm n GLN 308 Ca 0.37 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.99 1bwm n GLN 308 Cb 0.26 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.52 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1bwm s SER 309 N 0.00 6.04 0.23 1.08 1.04 -1.26 -4.98 113.70 115.84 1bwm s SER 309 Ca 0.00 2.35 0.03 0.00 0.48 0.00 0.00 55.95 58.82 1bwm s SER 309 Cb 0.00 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 1bwm s SER 309 CO 0.00 -1.01 0.23 0.00 0.98 0.00 0.00 173.24 173.44 1bwm n LEU 310 N -0.59 0.00 -4.21 2.42 -0.00 -1.26 -5.04 117.00 108.32 1bwm n LEU 310 Ca 0.08 -2.06 -0.33 0.00 -0.00 0.00 0.00 56.01 53.70 1bwm n LEU 310 Cb 0.48 1.31 -0.16 0.00 -0.00 0.00 0.00 43.42 45.04 1bwm n LEU 310 CO 0.48 -0.38 -0.53 -0.89 -0.00 0.00 0.00 177.39 176.07 1bwm s THR 311 N -2.84 2.24 1.13 1.47 2.01 -1.26 -2.62 115.64 115.78 1bwm s THR 311 Ca 0.25 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 61.19 1bwm s THR 311 Cb 0.01 -1.90 0.27 0.00 0.01 0.00 0.00 72.50 70.88 1bwm s THR 311 CO 0.17 0.54 1.04 0.54 -0.69 0.00 0.00 174.62 176.23 1bwm s VAL 312 N 0.71 2.02 -1.40 3.82 0.11 0.88 -4.89 120.40 121.66 1bwm s VAL 312 Ca -0.09 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1bwm s VAL 312 Cb -0.16 -2.17 0.28 0.00 -1.53 0.00 0.00 36.38 32.80 1bwm s VAL 312 CO 0.01 -0.01 1.11 0.79 -3.33 0.00 0.00 175.10 173.66 1bwm n TRP 313 N -4.76 0.58 -2.44 1.54 5.03 -1.26 -4.33 117.44 111.80 1bwm n TRP 313 Ca 0.03 -0.23 -0.02 0.00 3.03 0.00 0.00 57.50 60.31 1bwm n TRP 313 Cb 0.55 -0.12 -0.02 0.00 -1.03 0.00 0.00 31.31 30.69 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 1bwm n GLU 314 N 0.30 -4.70 -2.17 -0.99 2.13 -1.26 -4.51 120.64 109.43 1bwm n GLU 314 Ca 0.10 3.45 -0.04 0.00 0.66 0.00 0.00 57.16 61.33 1bwm n GLU 314 Cb 0.42 -4.55 0.00 0.00 0.27 0.00 0.00 31.44 27.58 1bwm n GLU 314 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bwm n GLY 315 N 1.85 0.27 0.00 8.31 0.00 -1.26 -4.97 105.19 109.39 1bwm n GLY 315 Ca -0.13 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.38 1.32 -4.47 1.61 2.13 -1.26 -4.65 120.64 113.94 1bwm n GLU 316 Ca -0.04 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.49 1bwm n GLU 316 Cb 0.53 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.17 1bwm n GLU 316 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1bwm s THR 317 N 0.35 1.62 0.19 6.31 -1.32 -1.26 -2.23 115.64 119.30 1bwm s THR 317 Ca 0.00 -1.86 -0.21 0.00 -1.21 0.00 0.00 61.69 58.41 1bwm s THR 317 Cb 0.00 -2.48 0.05 0.00 -1.51 0.00 0.00 72.50 68.57 1bwm s THR 317 CO 0.00 0.00 0.60 -0.89 -2.21 0.00 0.00 174.62 172.12 1bwm s THR 318 N -2.78 0.01 -0.03 5.08 2.01 -0.55 -4.71 115.64 114.68 1bwm s THR 318 Ca 0.23 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1bwm s THR 318 Cb 0.03 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1bwm s THR 318 CO 0.13 -0.04 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.34 1bwm s ILE 319 N -3.81 0.46 -0.06 1.82 1.01 -1.26 -2.16 121.20 117.21 1bwm s ILE 319 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.58 1bwm s ILE 319 Cb -0.02 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1bwm s ILE 319 CO -0.07 0.18 -0.16 -0.76 0.00 0.00 0.00 174.94 174.12 1bwm s LEU 320 N 0.49 1.85 0.19 2.97 1.02 -1.08 -4.96 118.68 119.16 1bwm s LEU 320 Ca -0.06 -0.36 0.06 0.00 0.02 0.00 0.00 54.13 53.79 1bwm s LEU 320 Cb -0.10 -0.97 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 1bwm s LEU 320 CO -0.00 0.11 0.11 0.54 0.02 0.00 0.00 176.35 177.13 1bwm s ASN 321 N 0.29 5.31 0.23 2.29 2.20 -1.26 -1.56 114.94 122.44 1bwm s ASN 321 Ca -0.09 -0.24 0.04 0.00 -0.94 0.00 0.00 52.86 51.63 1bwm s ASN 321 Cb -0.14 -1.31 -0.05 0.00 -2.00 0.00 0.00 41.25 37.75 1bwm s ASN 321 CO 0.04 0.05 -0.02 0.00 -2.94 0.00 0.00 177.10 174.23 1bwm s SER 323 N -3.30 1.07 -0.29 0.00 0.15 0.15 -2.64 113.70 108.84 1bwm s SER 323 Ca 0.27 -1.55 -0.16 0.00 0.70 0.00 0.00 55.95 55.22 1bwm s SER 323 Cb 0.05 0.62 0.14 0.00 -1.71 0.00 0.00 66.02 65.13 1bwm s SER 323 CO 0.08 -1.22 0.94 -0.72 1.20 0.00 0.00 173.24 173.52 1bwm s TYR 324 N -3.21 -0.67 -0.33 3.44 1.13 -1.22 -2.65 117.35 113.84 1bwm s TYR 324 Ca 0.33 1.28 0.08 0.00 -1.41 0.00 0.00 57.07 57.36 1bwm s TYR 324 Cb 0.01 0.40 0.57 0.00 -1.10 0.00 0.00 41.96 41.83 1bwm s TYR 324 CO 0.22 -0.33 1.61 0.39 -2.51 0.00 0.00 175.55 174.93 1bwm n GLU 325 N 4.10 2.14 -3.83 -3.49 1.02 -1.23 -4.97 120.64 114.37 1bwm n GLU 325 Ca -0.16 -3.11 -0.21 0.00 -0.02 0.00 0.00 57.16 53.65 1bwm n GLU 325 Cb 0.56 -1.94 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.07 5.21 -0.12 1.62 2.15 -1.26 -5.02 116.67 117.17 1bwm s ASP 326 Ca 0.49 -0.54 0.17 0.00 0.43 0.00 0.00 52.55 53.10 1bwm s ASP 326 Cb 0.42 -0.93 0.42 0.00 -0.30 0.00 0.00 42.92 42.54 1bwm s ASP 326 CO 0.04 -0.36 1.20 -1.20 -0.17 0.00 0.00 175.17 174.68 1bwm n SER 327 N -1.36 1.42 -1.17 -0.34 7.64 -1.26 -4.74 113.62 113.81 1bwm n SER 327 Ca -0.02 -3.11 -0.00 0.00 1.01 0.00 0.00 58.87 56.75 1bwm n SER 327 Cb 0.60 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1bwm n THR 328 N -0.46 0.00 -3.07 0.44 5.66 -1.26 -5.12 114.28 110.47 1bwm n THR 328 Ca 0.14 -0.51 -0.24 0.00 -3.05 0.00 0.00 64.05 60.38 1bwm n THR 328 Cb 0.87 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 70.38 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 3.39 0.00 1.09 -0.12 -1.26 -4.08 117.98 116.99 1bwm s PHE 329 Ca 0.17 0.38 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 1bwm s PHE 329 Cb 0.20 -2.16 0.00 0.00 -0.63 0.00 0.00 43.02 40.43 1bwm s PHE 329 CO -0.09 -0.17 0.00 -0.25 -0.05 0.00 0.00 175.22 174.67 1bwm n ASP 330 N -2.01 0.14 -4.63 1.98 8.00 0.31 -4.89 116.55 115.45 1bwm n ASP 330 Ca -0.01 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.20 1bwm n ASP 330 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.57 1bwm n ASP 330 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1bwm s TYR 331 N -1.93 2.23 -0.42 1.24 1.51 -1.24 -4.68 117.35 114.06 1bwm s TYR 331 Ca 0.00 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.29 1bwm s TYR 331 Cb 0.00 -1.65 0.17 0.00 -0.11 0.00 0.00 41.96 40.37 1bwm s TYR 331 CO 0.00 0.31 0.38 -0.06 -1.11 0.00 0.00 175.55 175.06 1bwm s PHE 332 N -2.84 0.77 -0.33 2.71 0.08 -1.26 -2.58 117.98 114.54 1bwm s PHE 332 Ca 0.25 -2.11 -0.27 0.00 0.12 0.00 0.00 56.93 54.92 1bwm s PHE 332 Cb 0.07 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.69 1bwm s PHE 332 CO 0.13 -0.88 2.21 -1.25 -0.10 0.00 0.00 175.22 175.33 1bwm s PRO 333 N 0.19 2.83 -1.11 0.24 0.05 -1.26 -4.28 135.00 131.67 1bwm s PRO 333 Ca 0.32 1.71 -0.22 0.00 0.05 0.00 0.00 61.00 62.86 1bwm s PRO 333 Cb 0.02 -4.41 0.02 0.00 0.05 0.00 0.00 34.50 30.18 1bwm s PRO 333 CO -0.18 -2.44 1.68 -1.58 0.05 0.00 0.00 177.00 174.53 1bwm s TRP 334 N 9.29 2.42 1.10 0.56 0.52 -1.04 -3.60 118.94 128.19 1bwm s TRP 334 Ca 0.96 -0.68 -0.18 0.00 0.02 0.00 0.00 56.10 56.22 1bwm s TRP 334 Cb -0.26 -4.53 0.25 0.00 -1.15 0.00 0.00 33.47 27.78 1bwm s TRP 334 CO 0.32 -1.78 1.18 0.71 0.02 0.00 0.00 176.95 177.40 1bwm s TYR 335 N 6.32 1.01 0.00 -1.98 2.02 -0.07 -2.62 117.35 122.04 1bwm s TYR 335 Ca 0.55 0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 57.60 1bwm s TYR 335 Cb 0.00 -3.67 0.01 0.00 -0.40 0.00 0.00 41.96 37.90 1bwm s TYR 335 CO -0.00 -3.36 0.22 0.50 -1.57 0.00 0.00 175.55 171.35 1bwm s ARG 336 N -5.56 0.60 0.09 -0.62 3.52 -0.78 -1.13 118.95 115.07 1bwm s ARG 336 Ca 0.71 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 56.00 1bwm s ARG 336 Cb -0.08 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1bwm s ARG 336 CO 0.55 -0.16 -0.10 -1.14 -0.81 0.00 0.00 175.30 173.64 1bwm s GLN 337 N -1.56 0.81 0.19 5.12 0.74 -0.90 -0.97 119.66 123.10 1bwm s GLN 337 Ca -0.13 -1.10 0.11 0.00 0.05 0.00 0.00 55.36 54.29 1bwm s GLN 337 Cb -0.06 -0.51 -0.04 0.00 1.10 0.00 0.00 33.01 33.50 1bwm s GLN 337 CO 0.02 0.08 -0.24 -0.06 -0.55 0.00 0.00 175.29 174.54 1bwm s PHE 338 N -2.28 2.30 0.42 1.67 0.40 -1.26 -2.44 117.98 116.79 1bwm s PHE 338 Ca 0.03 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 56.12 1bwm s PHE 338 Cb -0.04 -1.14 0.89 0.00 0.51 0.00 0.00 43.02 43.24 1bwm s PHE 338 CO 0.00 0.49 1.97 -1.00 0.70 0.00 0.00 175.22 177.38 1bwm h PRO 339 N 3.23 0.16 0.00 0.24 0.14 -1.94 -3.39 132.00 130.44 1bwm h PRO 339 Ca -0.46 -0.03 0.00 0.00 0.14 0.00 0.00 66.00 65.64 1bwm h PRO 339 Cb 1.21 -0.03 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1bwm h PRO 339 CO 0.48 0.29 -0.51 0.41 0.14 0.00 0.00 178.00 178.80 1bwm n GLY 340 N -1.01 0.00 0.00 1.56 0.00 -1.26 -5.09 105.19 99.40 1bwm n GLY 340 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.70 -1.00 -4.15 1.61 5.02 -1.26 -5.00 118.16 110.67 1bwm n LYS 341 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1bwm n LYS 341 Cb 0.25 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.19 1bwm n LYS 341 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bwm s SER 342 N -1.99 5.22 0.99 4.39 1.04 -1.26 -4.44 113.70 117.64 1bwm s SER 342 Ca 0.00 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 1bwm s SER 342 Cb 0.00 -1.33 0.19 0.00 0.10 0.00 0.00 66.02 64.97 1bwm s SER 342 CO 0.00 0.21 1.09 -2.16 0.98 0.00 0.00 173.24 173.36 1bwm s PRO 343 N -2.08 0.43 -0.18 4.02 0.05 -1.26 -4.52 135.00 131.47 1bwm s PRO 343 Ca 0.25 1.16 -0.23 0.00 0.05 0.00 0.00 61.00 62.23 1bwm s PRO 343 Cb -0.12 -1.69 0.06 0.00 0.05 0.00 0.00 34.50 32.80 1bwm s PRO 343 CO 0.17 -2.91 0.61 0.00 0.05 0.00 0.00 177.00 174.92 1bwm s ALA 344 N -2.64 -1.52 0.37 8.56 0.00 -0.14 -4.36 121.76 122.03 1bwm s ALA 344 Ca 0.66 1.54 -0.27 0.00 0.00 0.00 0.00 51.96 53.90 1bwm s ALA 344 Cb -0.22 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 1bwm s ALA 344 CO 0.60 -0.31 1.22 -1.17 0.00 0.00 0.00 175.76 176.11 1bwm s LEU 345 N -0.11 4.29 0.00 0.00 2.96 -1.26 -1.87 118.68 122.69 1bwm s LEU 345 Ca -0.03 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1bwm s LEU 345 Cb -0.03 -3.87 0.00 0.00 0.50 0.00 0.00 46.19 42.79 1bwm s LEU 345 CO 0.03 -0.62 0.00 0.18 -1.32 0.00 0.00 176.35 174.62 1bwm n LEU 346 N 0.38 0.00 0.00 -0.68 4.77 -1.08 -4.83 117.00 115.57 1bwm n LEU 346 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1bwm n LEU 346 Cb 0.45 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1bwm n LEU 346 CO 0.54 -0.31 0.00 2.30 -1.33 0.00 0.00 177.39 178.59 1bwm n ILE 347 N -2.10 0.00 -3.50 -0.08 -0.00 -1.25 -5.02 119.36 107.40 1bwm n ILE 347 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.64 1bwm n ILE 347 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 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 -1.38 -1.77 0.00 -1.28 0.00 -1.26 -2.51 121.76 113.56 1bwm s ALA 348 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1bwm s ALA 348 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1bwm s ALA 348 CO 0.00 -0.59 0.00 0.44 0.00 0.00 0.00 175.76 175.61 1bwm n ILE 349 N 0.08 0.00 -1.24 0.00 -0.00 -1.26 -4.99 119.36 111.94 1bwm n ILE 349 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1bwm n ILE 349 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.25 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 -3.37 7.28 7.64 -1.26 -4.19 113.62 119.72 1bwm n SER 350 Ca 0.00 -0.65 -0.19 0.00 1.01 0.00 0.00 58.87 59.04 1bwm n SER 350 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1bwm n SER 350 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1bwm n LEU 351 N 0.00 -4.82 0.00 -3.43 7.94 -1.26 -4.93 117.00 110.50 1bwm n LEU 351 Ca 0.00 -0.77 0.00 0.00 -1.11 0.00 0.00 56.01 54.13 1bwm n LEU 351 Cb 0.16 -3.02 0.00 0.00 0.53 0.00 0.00 43.42 41.09 1bwm n LEU 351 CO 0.00 0.22 -0.27 0.55 -1.11 0.00 0.00 177.39 176.78 1bwm n VAL 352 N -3.56 0.00 -3.22 1.96 3.14 -1.26 -5.07 118.33 110.33 1bwm n VAL 352 Ca -0.11 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.96 1bwm n VAL 352 Cb 0.62 -0.41 -0.04 0.00 -1.06 0.00 0.00 33.84 32.95 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1bwm s SER 353 N -2.74 6.57 0.57 6.55 0.01 -1.26 -4.94 113.70 118.46 1bwm s SER 353 Ca 0.00 0.97 0.28 0.00 1.31 0.00 0.00 55.95 58.51 1bwm s SER 353 Cb 0.00 -2.25 1.48 0.00 0.21 0.00 0.00 66.02 65.47 1bwm s SER 353 CO 0.00 -0.21 1.94 -1.13 0.41 0.00 0.00 173.24 174.26 1bwm h ASN 354 N 1.95 0.00 -4.97 2.44 -1.24 -1.97 -3.42 115.58 108.37 1bwm h ASN 354 Ca -0.47 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.52 1bwm h ASN 354 Cb 1.18 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 40.10 1bwm h ASN 354 CO 0.66 0.00 0.23 -1.59 -1.29 0.00 0.00 177.43 175.44 1bwm s LYS 355 N -4.75 1.23 0.00 6.67 -2.85 -1.26 -1.15 119.74 117.62 1bwm s LYS 355 Ca -0.05 -0.39 -0.01 0.00 -1.00 0.00 0.00 55.97 54.52 1bwm s LYS 355 Cb 0.17 0.57 -0.01 0.00 -2.06 0.00 0.00 37.83 36.50 1bwm s LYS 355 CO 0.62 -0.52 0.01 0.21 0.10 0.00 0.00 175.35 175.77 1bwm s LYS 356 N -3.47 0.18 -0.07 1.78 2.36 -0.84 -4.92 119.74 114.76 1bwm s LYS 356 Ca 0.00 -0.25 0.02 0.00 -2.55 0.00 0.00 55.97 53.20 1bwm s LYS 356 Cb -0.01 0.07 0.01 0.00 -1.05 0.00 0.00 37.83 36.85 1bwm s LYS 356 CO -0.11 -0.03 -0.13 -2.00 1.55 0.00 0.00 175.35 174.63 1bwm s GLU 357 N -0.66 1.83 -0.40 4.03 -6.30 -1.26 0.25 118.70 116.18 1bwm s GLU 357 Ca -0.07 -0.46 0.01 0.00 -2.50 0.00 0.00 54.97 51.95 1bwm s GLU 357 Cb -0.05 -1.49 0.14 0.00 0.00 0.00 0.00 34.13 32.74 1bwm s GLU 357 CO -0.00 0.05 0.24 -0.51 0.02 0.00 0.00 175.26 175.06 1bwm s ASP 358 N 0.61 3.19 0.00 -1.70 1.01 -1.09 -4.96 116.67 113.74 1bwm s ASP 358 Ca -0.15 -2.49 0.00 0.00 0.71 0.00 0.00 52.55 50.62 1bwm s ASP 358 Cb -0.16 -0.71 0.00 0.00 1.01 0.00 0.00 42.92 43.06 1bwm s ASP 358 CO 0.04 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1bwm n GLY 359 N 3.67 2.01 1.66 0.21 0.00 -1.26 -4.45 105.19 107.03 1bwm n GLY 359 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.72 1.61 5.12 -1.26 -5.10 116.66 115.31 1bwm n ARG 361 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 1bwm n ARG 361 Cb 0.00 -0.08 0.03 0.00 -1.16 0.00 0.00 32.46 31.26 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 -1.83 3.25 0.16 -1.55 -0.12 -1.26 -4.96 117.98 111.67 1bwm s PHE 362 Ca 0.00 1.40 0.01 0.00 -0.05 0.00 0.00 56.93 58.28 1bwm s PHE 362 Cb 0.00 -2.85 -0.04 0.00 -0.63 0.00 0.00 43.02 39.50 1bwm s PHE 362 CO 0.00 -1.05 0.02 -0.08 -0.05 0.00 0.00 175.22 174.06 1bwm s THR 363 N -3.02 0.49 0.20 -4.49 -1.32 -1.20 -2.65 115.64 103.64 1bwm s THR 363 Ca 0.58 -1.96 0.09 0.00 -1.21 0.00 0.00 61.69 59.19 1bwm s THR 363 Cb -0.13 -2.10 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1bwm s THR 363 CO 0.52 -0.47 -0.06 0.27 -2.21 0.00 0.00 174.62 172.67 1bwm s ILE 364 N -3.79 3.31 0.03 5.08 -0.00 0.14 -1.08 121.20 124.89 1bwm s ILE 364 Ca 0.24 -1.70 0.07 0.00 -0.00 0.00 0.00 60.65 59.26 1bwm s ILE 364 Cb 0.07 -2.68 -0.02 0.00 -0.00 0.00 0.00 42.46 39.83 1bwm s ILE 364 CO 0.03 -0.18 -0.20 0.12 -0.00 0.00 0.00 174.94 174.72 1bwm s PHE 365 N -1.87 1.72 0.03 1.37 2.19 0.22 -1.99 117.98 119.65 1bwm s PHE 365 Ca 0.27 -0.36 -0.19 0.00 0.33 0.00 0.00 56.93 56.98 1bwm s PHE 365 Cb -0.08 -1.05 -0.06 0.00 -1.31 0.00 0.00 43.02 40.52 1bwm s PHE 365 CO 0.17 0.05 0.56 0.12 1.83 0.00 0.00 175.22 177.95 1bwm s PHE 366 N -0.70 3.74 -0.58 10.12 5.36 -0.30 -2.59 117.98 133.03 1bwm s PHE 366 Ca 0.07 1.20 0.06 0.00 -0.96 0.00 0.00 56.93 57.31 1bwm s PHE 366 Cb -0.08 -2.52 0.24 0.00 -0.34 0.00 0.00 43.02 40.32 1bwm s PHE 366 CO 0.01 0.49 0.67 -1.71 -1.46 0.00 0.00 175.22 173.22 1bwm n ASN 367 N 2.17 2.72 -0.09 6.13 2.85 -0.67 -4.94 115.26 123.43 1bwm n ASN 367 Ca -0.09 -3.22 -0.06 0.00 -0.11 0.00 0.00 54.58 51.10 1bwm n ASN 367 Cb 0.51 -0.67 -0.00 0.00 1.24 0.00 0.00 39.78 40.86 1bwm n ASN 367 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1bwm h LYS 368 N 4.24 -0.01 -0.00 1.20 2.10 -1.96 1.09 116.57 123.23 1bwm h LYS 368 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1bwm h LYS 368 Cb 0.73 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1bwm h LYS 368 CO 0.73 -0.01 0.05 0.00 -2.00 0.00 0.00 179.45 178.22 1bwm h ARG 369 N -0.01 0.00 -0.00 0.07 2.47 -1.95 -1.52 114.38 113.43 1bwm h ARG 369 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1bwm h ARG 369 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1bwm h ARG 369 CO -0.34 0.00 -0.37 -1.91 0.56 0.00 0.00 179.97 177.90 1bwm n GLU 370 N -3.09 3.11 -2.22 0.04 2.13 0.37 -4.98 120.64 116.00 1bwm n GLU 370 Ca -0.03 -0.23 -0.21 0.00 0.66 0.00 0.00 57.16 57.36 1bwm n GLU 370 Cb 0.12 -1.01 -0.03 0.00 0.27 0.00 0.00 31.44 30.79 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 -0.87 -1.65 -4.24 5.31 4.81 0.35 -4.95 118.16 116.93 1bwm n LYS 371 Ca 0.03 1.05 -0.16 0.00 -0.87 0.00 0.00 58.31 58.36 1bwm n LYS 371 Cb 0.18 -5.65 -0.09 0.00 0.02 0.00 0.00 35.03 29.49 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 -4.75 1.53 0.07 1.64 1.02 -1.10 -4.66 119.74 113.49 1bwm s LYS 372 Ca 0.00 -1.84 0.03 0.00 0.02 0.00 0.00 55.97 54.18 1bwm s LYS 372 Cb 0.00 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1bwm s LYS 372 CO 0.00 -0.55 -0.08 -0.48 -0.92 0.00 0.00 175.35 173.32 1bwm s LEU 373 N -3.27 2.34 0.02 3.17 2.34 -1.08 -1.67 118.68 120.52 1bwm s LEU 373 Ca 0.39 -0.71 -0.00 0.00 0.06 0.00 0.00 54.13 53.87 1bwm s LEU 373 Cb 0.04 -0.19 -0.02 0.00 -0.56 0.00 0.00 46.19 45.47 1bwm s LEU 373 CO 0.21 -0.27 -0.02 -0.94 -1.06 0.00 0.00 176.35 174.27 1bwm s SER 374 N -2.09 0.20 0.18 1.48 1.04 -1.07 0.32 113.70 113.76 1bwm s SER 374 Ca -0.02 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.10 1bwm s SER 374 Cb -0.05 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 1bwm s SER 374 CO -0.01 -0.26 -0.22 -0.22 0.98 0.00 0.00 173.24 173.52 1bwm s LEU 375 N -1.24 2.44 0.13 2.42 0.20 -0.60 0.70 118.68 122.72 1bwm s LEU 375 Ca -0.14 -0.87 0.06 0.00 0.69 0.00 0.00 54.13 53.88 1bwm s LEU 375 Cb -0.08 -1.03 -0.04 0.00 -0.43 0.00 0.00 46.19 44.61 1bwm s LEU 375 CO -0.01 0.06 0.00 -1.00 -0.29 0.00 0.00 176.35 175.11 1bwm s HIS 376 N -1.83 2.92 -0.14 5.38 3.76 -0.24 -2.62 115.29 122.52 1bwm s HIS 376 Ca 0.19 -0.08 -0.05 0.00 -0.15 0.00 0.00 55.06 54.97 1bwm s HIS 376 Cb -0.07 -1.46 0.07 0.00 1.11 0.00 0.00 32.58 32.23 1bwm s HIS 376 CO 0.09 0.49 0.27 -1.50 -0.85 0.00 0.00 174.74 173.24 1bwm s ILE 377 N -1.52 -0.42 0.36 0.60 1.10 -0.92 -3.26 121.20 117.15 1bwm s ILE 377 Ca 0.27 0.26 0.07 0.00 -0.51 0.00 0.00 60.65 60.74 1bwm s ILE 377 Cb -0.10 -0.46 -0.02 0.00 0.15 0.00 0.00 42.46 42.02 1bwm s ILE 377 CO 0.18 0.10 0.34 0.28 -2.11 0.00 0.00 174.94 173.74 1bwm s THR 378 N 2.42 3.35 -0.31 4.00 -1.32 -1.26 -1.48 115.64 121.05 1bwm s THR 378 Ca 0.02 -1.31 -0.04 0.00 -1.21 0.00 0.00 61.69 59.15 1bwm s THR 378 Cb -0.12 -3.15 0.01 0.00 -1.51 0.00 0.00 72.50 67.72 1bwm s THR 378 CO -0.09 -0.12 0.12 -0.67 -2.21 0.00 0.00 174.62 171.65 1bwm n ASP 379 N -1.47 -7.85 -4.86 8.08 -0.08 -0.95 -4.93 116.55 104.51 1bwm n ASP 379 Ca 0.00 1.15 -0.23 0.00 -1.51 0.00 0.00 54.79 54.20 1bwm n ASP 379 Cb 0.60 -4.92 0.07 0.00 2.34 0.00 0.00 41.12 39.20 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1bwm s SER 380 N -1.75 4.87 0.06 1.67 0.01 -1.03 -4.91 113.70 112.63 1bwm s SER 380 Ca 0.05 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 1bwm s SER 380 Cb -0.01 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 1bwm s SER 380 CO 0.71 -1.47 -0.04 0.00 0.41 0.00 0.00 173.24 172.86 1bwm s GLN 381 N -4.98 0.65 0.00 12.44 -2.07 -1.26 -4.16 119.66 120.28 1bwm s GLN 381 Ca 0.61 -1.22 0.00 0.00 -1.82 0.00 0.00 55.36 52.93 1bwm s GLN 381 Cb -0.09 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 31.94 1bwm s GLN 381 CO 0.41 -0.09 0.00 -2.30 -1.32 0.00 0.00 175.29 172.00 1bwm n PRO 382 N 0.14 1.06 -3.08 9.60 -0.01 -1.26 -2.95 135.00 138.50 1bwm n PRO 382 Ca -0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 63.50 63.22 1bwm n PRO 382 Cb 0.61 0.00 0.06 0.00 -0.01 0.00 0.00 33.50 34.16 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 0.21 -0.14 2.21 -1.23 0.00 -1.26 -2.09 105.19 102.89 1bwm n GLY 383 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.42 -3.69 0.00 1.61 8.00 -1.26 -4.40 116.55 114.39 1bwm n ASP 384 Ca -0.17 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1bwm n ASP 384 Cb 0.61 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 -1.13 0.00 0.00 -2.24 7.64 -0.89 -4.07 113.62 112.93 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 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 6.01 0.00 -3.04 -0.43 0.00 -1.08 -4.91 120.51 117.06 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 3.62 -0.02 0.00 -4.23 -1.02 -1.68 115.64 110.30 1bwm s THR 387 Ca 0.00 -0.45 -0.19 0.00 -1.18 0.00 0.00 61.69 59.87 1bwm s THR 387 Cb 0.00 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.21 1bwm s THR 387 CO 0.00 0.49 0.54 -0.31 -0.54 0.00 0.00 174.62 174.80 1bwm s TYR 388 N 0.47 3.66 -0.18 3.99 1.51 -0.58 -2.11 117.35 124.12 1bwm s TYR 388 Ca -0.05 1.11 0.01 0.00 -1.01 0.00 0.00 57.07 57.13 1bwm s TYR 388 Cb -0.15 -2.54 0.03 0.00 -0.11 0.00 0.00 41.96 39.19 1bwm s TYR 388 CO 0.03 0.37 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.63 1bwm s PHE 389 N -0.21 2.51 0.01 2.71 0.40 -0.28 -1.18 117.98 121.94 1bwm s PHE 389 Ca 0.29 -1.53 -0.11 0.00 -0.60 0.00 0.00 56.93 54.98 1bwm s PHE 389 Cb -0.17 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1bwm s PHE 389 CO 0.15 -0.75 0.36 0.00 0.70 0.00 0.00 175.22 175.69 1bwm n ALA 391 N 1.45 0.14 -3.44 0.00 0.00 -1.24 -0.93 120.51 116.49 1bwm n ALA 391 Ca -0.12 -1.39 -0.16 0.00 0.00 0.00 0.00 53.44 51.77 1bwm n ALA 391 Cb 0.53 1.12 -0.05 0.00 0.00 0.00 0.00 19.45 21.04 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 -2.78 -1.58 0.17 0.00 0.00 0.89 -4.03 121.76 114.42 1bwm s ALA 392 Ca 0.27 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1bwm s ALA 392 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1bwm s ALA 392 CO 0.19 -0.45 -0.01 -0.08 0.00 0.00 0.00 175.76 175.40 1bwm s THR 393 N -1.87 0.73 0.00 0.00 -1.32 -1.06 0.12 115.64 112.24 1bwm s THR 393 Ca -0.08 -1.98 0.07 0.00 -1.21 0.00 0.00 61.69 58.48 1bwm s THR 393 Cb -0.01 -2.06 0.11 0.00 -1.51 0.00 0.00 72.50 69.03 1bwm s THR 393 CO 0.04 -0.53 0.94 0.61 -2.21 0.00 0.00 174.62 173.46 1bwm n GLY 399 N -0.22 0.73 0.00 6.08 0.00 -1.20 0.11 105.19 110.69 1bwm n GLY 399 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1bwm n GLY 399 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 400 N 0.13 0.20 -0.60 1.61 2.88 -1.26 -4.95 113.62 111.63 1bwm n SER 400 Ca -0.10 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.50 1bwm n SER 400 Cb 0.77 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.43 1bwm n SER 400 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1bwm n PHE 401 N 0.00 0.43 -2.04 0.66 1.16 -1.26 -4.66 117.46 111.74 1bwm n PHE 401 Ca 0.00 -1.22 -0.01 0.00 -1.87 0.00 0.00 57.45 54.35 1bwm n PHE 401 Cb 0.00 -0.28 0.01 0.00 -1.61 0.00 0.00 39.48 37.59 1bwm n PHE 401 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1bwm n ASN 402 N -1.11 -0.26 -3.44 5.98 5.03 -1.26 -5.11 115.26 115.09 1bwm n ASN 402 Ca 0.21 -0.82 -0.20 0.00 0.87 0.00 0.00 54.58 54.64 1bwm n ASN 402 Cb 0.79 0.10 -0.11 0.00 -1.02 0.00 0.00 39.78 39.54 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1bwm s LYS 403 N 0.01 0.28 -0.27 3.52 2.47 -1.26 -5.11 119.74 119.38 1bwm s LYS 403 Ca 0.01 -0.20 0.03 0.00 -1.56 0.00 0.00 55.97 54.25 1bwm s LYS 403 Cb 0.05 -0.84 0.07 0.00 -1.46 0.00 0.00 37.83 35.65 1bwm s LYS 403 CO -0.01 -0.99 -0.06 -1.17 0.16 0.00 0.00 175.35 173.28 1bwm s LEU 404 N 2.30 3.59 -0.44 5.43 0.20 -1.26 -3.23 118.68 125.27 1bwm s LEU 404 Ca 0.09 -1.54 -0.25 0.00 0.69 0.00 0.00 54.13 53.12 1bwm s LEU 404 Cb -0.15 -1.50 0.02 0.00 -0.43 0.00 0.00 46.19 44.14 1bwm s LEU 404 CO -0.32 -0.24 0.89 -0.89 -0.29 0.00 0.00 176.35 175.50 1bwm s THR 405 N 1.11 4.54 0.00 3.68 2.01 0.32 -4.80 115.64 122.51 1bwm s THR 405 Ca -0.04 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1bwm s THR 405 Cb -0.20 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 67.93 1bwm s THR 405 CO -0.06 -0.74 0.00 0.49 -0.69 0.00 0.00 174.62 173.61 1bwm n PHE 406 N 6.97 -3.19 -4.15 4.92 3.01 -1.26 -0.08 117.46 123.68 1bwm n PHE 406 Ca 0.05 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.34 1bwm n PHE 406 Cb 0.48 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.90 1bwm n PHE 406 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1bwm s GLY 407 N -2.48 1.85 -1.51 1.37 0.00 -0.11 -4.50 107.32 101.94 1bwm s GLY 407 Ca 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 44.72 42.87 1bwm s GLY 407 CO 0.00 -1.16 2.74 0.00 0.00 0.00 0.00 173.10 174.68 1bwm n ALA 408 N -0.62 6.88 -1.07 3.20 0.00 -1.26 -2.71 120.51 124.93 1bwm n ALA 408 Ca 0.03 -3.43 -0.42 0.00 0.00 0.00 0.00 53.44 49.63 1bwm n ALA 408 Cb 0.61 -3.37 -0.05 0.00 0.00 0.00 0.00 19.45 16.64 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 3.70 -0.33 3.81 0.00 0.00 -1.23 -4.73 105.19 106.41 1bwm n GLY 409 Ca 0.71 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.94 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 -0.09 3.06 -0.34 2.61 2.01 -0.33 -4.79 115.64 117.78 1bwm s THR 410 Ca 0.63 0.34 0.04 0.00 0.31 0.00 0.00 61.69 63.02 1bwm s THR 410 Cb -0.89 -3.11 0.10 0.00 0.01 0.00 0.00 72.50 68.61 1bwm s THR 410 CO 0.41 -0.45 0.05 -0.60 -0.69 0.00 0.00 174.62 173.34 1bwm s ARG 411 N -5.18 1.46 -0.54 4.92 3.00 -1.26 -1.53 118.95 119.82 1bwm s ARG 411 Ca 0.61 -1.87 -0.28 0.00 -1.00 0.00 0.00 55.73 53.19 1bwm s ARG 411 Cb -0.14 -3.17 0.01 0.00 0.00 0.00 0.00 34.95 31.64 1bwm s ARG 411 CO 0.54 -0.94 1.46 -0.51 0.00 0.00 0.00 175.30 175.85 1bwm s LEU 412 N 0.90 3.41 0.37 -0.88 2.01 -0.68 -4.31 118.68 119.50 1bwm s LEU 412 Ca 0.11 0.38 0.05 0.00 0.01 0.00 0.00 54.13 54.68 1bwm s LEU 412 Cb -0.19 -3.08 -0.01 0.00 0.01 0.00 0.00 46.19 42.92 1bwm s LEU 412 CO -0.08 -1.73 0.53 0.00 1.01 0.00 0.00 176.35 176.07 1bwm s ALA 413 N 6.25 4.11 0.09 4.21 0.00 -1.08 -2.64 121.76 132.70 1bwm s ALA 413 Ca 0.55 -1.35 0.09 0.00 0.00 0.00 0.00 51.96 51.25 1bwm s ALA 413 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1bwm s ALA 413 CO 0.26 -0.13 -0.23 0.08 0.00 0.00 0.00 175.76 175.73 1bwm s VAL 414 N -2.28 2.46 0.24 0.00 1.01 -1.26 -0.08 120.40 120.48 1bwm s VAL 414 Ca 0.46 -1.50 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 1bwm s VAL 414 Cb -0.10 -2.06 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1bwm s VAL 414 CO 0.33 0.21 0.70 -0.55 0.00 0.00 0.00 175.10 175.79 1bwm s SER 415 N -1.75 6.93 0.70 3.32 0.15 -1.26 -4.85 113.70 116.94 1bwm s SER 415 Ca 0.14 1.31 -0.16 0.00 0.70 0.00 0.00 55.95 57.95 1bwm s SER 415 Cb -0.10 -2.38 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1bwm s SER 415 CO 0.06 -0.03 1.22 -2.16 1.20 0.00 0.00 173.24 173.53 1bwm s PRO 416 N -2.30 2.32 0.00 5.44 0.05 -1.26 -4.92 135.00 134.33 1bwm s PRO 416 Ca 0.46 1.83 0.00 0.00 0.05 0.00 0.00 61.00 63.34 1bwm s PRO 416 Cb -0.14 -1.85 0.00 0.00 0.05 0.00 0.00 34.50 32.56 1bwm s PRO 416 CO 0.20 -1.71 0.00 0.98 0.05 0.00 0.00 177.00 176.52