#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 0.12 -4.17 0.00 3.14 -1.24 -3.70 118.33 112.47 1bwm n VAL 4 Ca 0.00 -0.47 -0.09 0.00 -2.96 0.00 0.00 64.34 60.82 1bwm n VAL 4 Cb 0.00 -2.18 -0.02 0.00 -1.06 0.00 0.00 33.84 30.58 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 7.66 0.00 -3.46 1.55 -2.24 -1.10 -4.48 114.28 112.22 1bwm n THR 5 Ca 0.39 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 1bwm n THR 5 Cb 0.38 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1bwm n THR 5 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bwm s GLN 6 N -2.53 1.23 -0.74 -0.78 -0.21 -1.24 -2.68 119.66 112.71 1bwm s GLN 6 Ca 0.08 -0.44 0.03 0.00 0.02 0.00 0.00 55.36 55.05 1bwm s GLN 6 Cb 0.00 0.57 0.18 0.00 1.00 0.00 0.00 33.01 34.76 1bwm s GLN 6 CO 0.05 -0.52 0.56 -1.12 -2.12 0.00 0.00 175.29 172.14 1bwm s SER 7 N -2.62 5.14 0.57 5.90 0.01 0.04 -4.88 113.70 117.86 1bwm s SER 7 Ca 0.00 -3.75 -0.20 0.00 1.31 0.00 0.00 55.95 53.31 1bwm s SER 7 Cb -0.01 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 1bwm s SER 7 CO -0.11 -0.13 1.29 -2.16 0.41 0.00 0.00 173.24 172.55 1bwm s PRO 8 N -1.33 3.02 -0.00 12.44 0.05 -1.26 -4.33 135.00 143.59 1bwm s PRO 8 Ca 0.25 2.07 0.07 0.00 0.05 0.00 0.00 61.00 63.44 1bwm s PRO 8 Cb -0.07 -2.11 -0.09 0.00 0.05 0.00 0.00 34.50 32.29 1bwm s PRO 8 CO -0.14 -1.23 0.25 -2.13 0.05 0.00 0.00 177.00 173.80 1bwm n ARG 9 N -1.30 3.13 -3.36 4.56 3.00 -1.26 -5.05 116.66 116.38 1bwm n ARG 9 Ca 0.12 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.85 57.83 1bwm n ARG 9 Cb 0.47 -0.95 0.01 0.00 0.00 0.00 0.00 32.46 31.99 1bwm n ARG 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1bwm n ASN 10 N -1.37 -6.58 -3.51 6.15 3.02 -1.26 -5.01 115.26 106.70 1bwm n ASN 10 Ca 0.00 -0.48 -0.09 0.00 -0.03 0.00 0.00 54.58 53.99 1bwm n ASN 10 Cb 0.14 -3.97 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 1bwm n ASN 10 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1bwm s LYS 11 N -3.98 0.78 0.28 3.52 2.20 -1.26 -5.17 119.74 116.11 1bwm s LYS 11 Ca 0.07 -0.23 0.07 0.00 -0.36 0.00 0.00 55.97 55.52 1bwm s LYS 11 Cb -0.02 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1bwm s LYS 11 CO 0.81 -0.33 0.26 0.08 -0.36 0.00 0.00 175.35 175.81 1bwm s VAL 12 N -2.83 4.25 0.32 4.02 1.01 -1.26 -4.64 120.40 121.26 1bwm s VAL 12 Ca 0.04 -1.32 0.10 0.00 0.00 0.00 0.00 61.98 60.81 1bwm s VAL 12 Cb -0.01 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1bwm s VAL 12 CO -0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 175.10 174.61 1bwm s ALA 13 N -2.17 2.89 0.26 5.51 0.00 -1.07 -4.97 121.76 122.20 1bwm s ALA 13 Ca 0.36 -2.00 0.02 0.00 0.00 0.00 0.00 51.96 50.35 1bwm s ALA 13 Cb -0.07 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1bwm s ALA 13 CO 0.26 0.16 0.20 1.33 0.00 0.00 0.00 175.76 177.71 1bwm n VAL 14 N -0.73 0.00 -1.48 0.00 0.24 -1.26 -1.96 118.33 113.13 1bwm n VAL 14 Ca -0.05 -1.02 -0.55 0.00 -2.04 0.00 0.00 64.34 60.68 1bwm n VAL 14 Cb 0.62 -0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 32.61 1bwm n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1bwm n THR 15 N -1.13 0.18 -3.43 3.34 -1.04 -0.97 -0.10 114.28 111.12 1bwm n THR 15 Ca -0.01 -0.14 -0.17 0.00 -2.04 0.00 0.00 64.05 61.69 1bwm n THR 15 Cb 0.29 -1.26 0.09 0.00 -1.82 0.00 0.00 70.33 67.63 1bwm n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 16 N 6.07 -0.37 0.00 3.41 0.00 -1.06 -4.93 105.19 108.31 1bwm n GLY 16 Ca 0.40 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.19 1.86 0.00 -0.02 0.00 0.85 -4.71 105.19 101.99 1bwm n GLY 17 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.00 -3.55 1.61 0.00 -1.25 -4.77 118.16 110.20 1bwm n LYS 18 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 1bwm n LYS 18 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1bwm s VAL 19 N -2.00 -0.25 -0.30 3.15 1.01 0.21 -4.83 120.40 117.39 1bwm s VAL 19 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1bwm s VAL 19 Cb 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.81 1bwm s VAL 19 CO 0.00 -0.16 0.08 -0.89 0.00 0.00 0.00 175.10 174.13 1bwm s THR 20 N 2.27 3.90 -0.07 3.92 2.01 -1.26 -2.21 115.64 124.20 1bwm s THR 20 Ca 0.05 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1bwm s THR 20 Cb -0.15 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.34 1bwm s THR 20 CO -0.10 0.04 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.10 1bwm s LEU 21 N 1.48 0.68 -0.26 4.42 1.43 -1.10 -4.69 118.68 120.63 1bwm s LEU 21 Ca 0.02 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1bwm s LEU 21 Cb -0.18 -0.45 0.03 0.00 0.03 0.00 0.00 46.19 45.63 1bwm s LEU 21 CO 0.02 -0.18 -0.06 -0.44 0.23 0.00 0.00 176.35 175.92 1bwm s SER 22 N 1.86 4.39 -0.02 2.29 0.01 -1.26 -2.48 113.70 118.50 1bwm s SER 22 Ca 0.03 -0.99 0.06 0.00 1.31 0.00 0.00 55.95 56.36 1bwm s SER 22 Cb -0.12 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 1bwm s SER 22 CO -0.05 -0.15 -0.19 0.00 0.41 0.00 0.00 173.24 173.25 1bwm s ASN 24 N -0.81 4.95 -0.24 0.00 0.02 -1.09 -2.49 114.94 115.28 1bwm s ASN 24 Ca 0.11 -0.88 -0.08 0.00 -1.02 0.00 0.00 52.86 51.00 1bwm s ASN 24 Cb -0.10 -0.22 0.11 0.00 0.02 0.00 0.00 41.25 41.05 1bwm s ASN 24 CO 0.01 -0.85 0.50 -1.58 0.02 0.00 0.00 177.10 175.21 1bwm s GLN 25 N -4.23 0.42 -0.32 -0.60 0.74 0.16 -2.70 119.66 113.13 1bwm s GLN 25 Ca 0.46 1.17 0.02 0.00 0.05 0.00 0.00 55.36 57.07 1bwm s GLN 25 Cb -0.03 0.51 0.12 0.00 1.10 0.00 0.00 33.01 34.71 1bwm s GLN 25 CO 0.27 -0.25 1.14 -2.37 -0.55 0.00 0.00 175.29 173.53 1bwm n THR 26 N 5.41 0.00 -1.57 -0.34 5.66 -1.26 -4.23 114.28 117.94 1bwm n THR 26 Ca -0.09 -0.65 -0.08 0.00 -3.05 0.00 0.00 64.05 60.18 1bwm n THR 26 Cb 0.49 0.69 0.17 0.00 -1.55 0.00 0.00 70.33 70.13 1bwm n THR 26 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1bwm n ASN 27 N -0.29 3.02 -1.42 1.09 2.85 -1.26 -4.46 115.26 114.78 1bwm n ASN 27 Ca -0.23 -3.81 -0.08 0.00 -0.11 0.00 0.00 54.58 50.35 1bwm n ASN 27 Cb 0.67 -0.59 0.02 0.00 1.24 0.00 0.00 39.78 41.12 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bwm n ASN 28 N -1.05 -3.34 -4.29 1.20 2.85 -1.26 -5.01 115.26 104.37 1bwm n ASN 28 Ca 0.34 -0.16 -0.34 0.00 -0.11 0.00 0.00 54.58 54.32 1bwm n ASN 28 Cb 0.94 -1.99 -0.15 0.00 1.24 0.00 0.00 39.78 39.83 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1bwm s HIS 29 N -3.01 2.84 -2.16 1.20 3.76 -1.26 -4.58 115.29 112.09 1bwm s HIS 29 Ca 0.17 -0.98 0.22 0.00 -0.15 0.00 0.00 55.06 54.31 1bwm s HIS 29 Cb -0.07 -1.94 1.04 0.00 1.11 0.00 0.00 32.58 32.71 1bwm s HIS 29 CO 0.21 -0.47 1.70 -1.71 -0.85 0.00 0.00 174.74 173.62 1bwm n ASN 30 N 4.21 0.80 -3.72 1.40 2.85 -1.26 -4.82 115.26 114.71 1bwm n ASN 30 Ca -0.19 -1.50 -0.13 0.00 -0.11 0.00 0.00 54.58 52.65 1bwm n ASN 30 Cb 0.51 -0.04 -0.10 0.00 1.24 0.00 0.00 39.78 41.40 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1bwm s ASN 31 N -1.66 -0.46 0.01 1.20 0.01 -1.26 -4.70 114.94 108.09 1bwm s ASN 31 Ca 0.33 0.86 0.08 0.00 -0.71 0.00 0.00 52.86 53.41 1bwm s ASN 31 Cb 0.16 0.88 -0.02 0.00 0.41 0.00 0.00 41.25 42.68 1bwm s ASN 31 CO 0.26 -0.17 -0.23 -0.32 -1.51 0.00 0.00 177.10 175.13 1bwm s MET 32 N 0.15 1.69 0.26 -0.60 1.75 0.74 -3.01 119.30 120.28 1bwm s MET 32 Ca -0.01 -0.91 0.11 0.00 -1.25 0.00 0.00 55.69 53.63 1bwm s MET 32 Cb -0.03 -1.74 -0.05 0.00 2.84 0.00 0.00 34.83 35.85 1bwm s MET 32 CO 0.01 0.46 -0.20 0.71 -0.65 0.00 0.00 175.02 175.35 1bwm s TYR 33 N -0.67 2.19 -0.07 4.11 2.02 -0.38 -1.75 117.35 122.79 1bwm s TYR 33 Ca 0.09 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1bwm s TYR 33 Cb -0.09 -0.98 0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1bwm s TYR 33 CO 0.01 0.63 0.04 -1.58 -1.57 0.00 0.00 175.55 173.07 1bwm s TRP 34 N -2.47 0.38 0.45 2.71 0.52 -0.11 -2.56 118.94 117.86 1bwm s TRP 34 Ca 0.27 -0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.41 1bwm s TRP 34 Cb -0.05 -0.66 -0.05 0.00 -1.15 0.00 0.00 33.47 31.56 1bwm s TRP 34 CO 0.13 -0.30 0.04 0.71 0.02 0.00 0.00 176.95 177.54 1bwm s TYR 35 N 2.07 2.27 0.02 -1.98 2.02 -1.09 -2.67 117.35 117.98 1bwm s TYR 35 Ca 0.04 -0.77 -0.07 0.00 -0.37 0.00 0.00 57.07 55.91 1bwm s TYR 35 Cb -0.13 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1bwm s TYR 35 CO -0.05 0.31 0.12 0.50 -1.57 0.00 0.00 175.55 174.87 1bwm s ARG 36 N -3.81 0.56 -0.27 -0.62 3.52 0.68 -2.52 118.95 116.49 1bwm s ARG 36 Ca 0.25 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 1bwm s ARG 36 Cb 0.06 0.23 0.06 0.00 -1.56 0.00 0.00 34.95 33.73 1bwm s ARG 36 CO 0.13 -0.14 -0.07 -0.65 -0.81 0.00 0.00 175.30 173.76 1bwm s GLN 37 N -2.12 2.28 -0.11 5.12 -0.21 -0.98 -0.44 119.66 123.19 1bwm s GLN 37 Ca -0.09 -1.34 0.18 0.00 0.02 0.00 0.00 55.36 54.13 1bwm s GLN 37 Cb -0.04 -2.98 0.42 0.00 1.00 0.00 0.00 33.01 31.41 1bwm s GLN 37 CO -0.02 -0.59 1.20 -3.47 -2.12 0.00 0.00 175.29 170.28 1bwm n ASP 38 N 4.48 1.37 -0.59 5.90 2.03 -1.05 -2.27 116.55 126.43 1bwm n ASP 38 Ca -0.13 -3.00 0.04 0.00 0.52 0.00 0.00 54.79 52.22 1bwm n ASP 38 Cb 0.42 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1bwm n THR 39 N -0.35 0.00 0.00 5.18 -1.04 -1.26 -4.58 114.28 112.23 1bwm n THR 39 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1bwm n THR 39 Cb 0.91 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 1bwm n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 40 N -0.97 0.82 0.21 3.41 0.00 -1.26 -2.40 105.19 104.99 1bwm n GLY 40 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.02 0.00 1.61 1.44 -1.26 -4.78 115.22 112.24 1bwm n HIS 41 Ca 0.00 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 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 0.25 0.65 3.82 -1.39 0.00 -1.01 -2.18 105.19 105.33 1bwm n GLY 42 Ca 0.03 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 2.91 -0.30 0.99 1.43 -1.18 -2.53 118.68 120.00 1bwm s LEU 43 Ca 0.00 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1bwm s LEU 43 Cb 0.00 -4.23 0.19 0.00 0.03 0.00 0.00 46.19 42.19 1bwm s LEU 43 CO 0.00 -1.61 0.73 -0.60 0.23 0.00 0.00 176.35 175.09 1bwm s ARG 44 N -5.12 0.45 0.31 1.70 6.06 0.41 -4.80 118.95 117.96 1bwm s ARG 44 Ca 0.59 0.39 -0.29 0.00 -2.50 0.00 0.00 55.73 53.92 1bwm s ARG 44 Cb -0.14 0.19 -0.10 0.00 0.06 0.00 0.00 34.95 34.96 1bwm s ARG 44 CO 0.54 -0.82 1.25 -1.17 -2.50 0.00 0.00 175.30 172.61 1bwm s LEU 45 N 2.81 4.46 0.00 -0.88 2.96 -1.26 -0.23 118.68 126.54 1bwm s LEU 45 Ca 0.15 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 1bwm s LEU 45 Cb -0.07 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1bwm s LEU 45 CO -0.24 -0.43 0.00 2.30 -1.32 0.00 0.00 176.35 176.66 1bwm n ILE 46 N 1.03 0.00 -3.94 6.68 -0.00 -1.09 -2.90 119.36 119.14 1bwm n ILE 46 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.66 1bwm n ILE 46 Cb 0.43 -0.11 -0.06 0.00 -0.00 0.00 0.00 39.64 39.90 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 -1.11 0.33 -0.30 4.28 3.76 -1.22 0.16 115.29 121.19 1bwm s HIS 47 Ca 0.00 -0.68 -0.17 0.00 -0.15 0.00 0.00 55.06 54.06 1bwm s HIS 47 Cb 0.00 0.07 0.20 0.00 1.11 0.00 0.00 32.58 33.96 1bwm s HIS 47 CO 0.00 -0.82 1.25 1.52 -0.85 0.00 0.00 174.74 175.84 1bwm s TYR 48 N -3.97 -0.10 0.00 1.40 1.13 -1.26 -0.93 117.35 113.62 1bwm s TYR 48 Ca 0.18 0.19 0.02 0.00 -1.41 0.00 0.00 57.07 56.06 1bwm s TYR 48 Cb 0.02 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.93 1bwm s TYR 48 CO 0.02 -0.05 -0.08 0.45 -2.51 0.00 0.00 175.55 173.38 1bwm s SER 49 N 1.34 0.94 0.00 -0.18 0.15 -0.72 -4.41 113.70 110.82 1bwm s SER 49 Ca -0.06 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1bwm s SER 49 Cb -0.02 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1bwm s SER 49 CO -0.12 0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.37 1bwm n TYR 50 N 2.61 0.00 -3.64 3.44 0.18 -1.26 -0.18 117.16 118.31 1bwm n TYR 50 Ca -0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.63 1bwm n TYR 50 Cb 0.57 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.53 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bwm n GLY 51 N 1.66 4.79 3.89 -7.48 0.00 -1.26 -4.51 105.19 102.28 1bwm n GLY 51 Ca 0.00 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1bwm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 52 N -2.00 3.89 -1.20 4.61 0.00 -1.26 -4.37 121.76 121.43 1bwm s ALA 52 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1bwm s ALA 52 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1bwm s ALA 52 CO 0.00 0.68 1.03 0.41 0.00 0.00 0.00 175.76 177.87 1bwm n GLY 53 N 1.16 -0.38 2.53 0.00 0.00 -0.60 -4.91 105.19 102.99 1bwm n GLY 53 Ca -0.12 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1bwm n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwm s SER 54 N -3.80 1.75 -0.00 1.61 0.15 -1.26 -5.04 113.70 107.11 1bwm s SER 54 Ca 0.27 -2.28 -0.02 0.00 0.70 0.00 0.00 55.95 54.63 1bwm s SER 54 Cb -0.12 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1bwm s SER 54 CO 0.69 -0.24 0.14 0.42 1.20 0.00 0.00 173.24 175.45 1bwm s THR 55 N 0.84 5.12 0.04 6.45 -4.23 -1.26 -4.67 115.64 117.93 1bwm s THR 55 Ca 0.23 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.37 1bwm s THR 55 Cb -0.11 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 1bwm s THR 55 CO -0.07 0.32 0.16 -1.61 -0.54 0.00 0.00 174.62 172.89 1bwm s GLU 56 N -1.88 0.68 0.16 3.99 2.02 -1.26 -5.10 118.70 117.30 1bwm s GLU 56 Ca 0.26 -0.71 -0.25 0.00 0.02 0.00 0.00 54.97 54.29 1bwm s GLU 56 Cb -0.12 0.28 -0.08 0.00 0.10 0.00 0.00 34.13 34.30 1bwm s GLU 56 CO 0.17 -0.19 0.76 -1.59 0.02 0.00 0.00 175.26 174.43 1bwm s LYS 57 N -2.75 4.54 0.00 1.61 0.00 -1.26 -4.31 119.74 117.57 1bwm s LYS 57 Ca -0.04 1.12 0.00 0.00 0.00 0.00 0.00 55.97 57.05 1bwm s LYS 57 Cb -0.00 -3.26 0.00 0.00 0.00 0.00 0.00 37.83 34.57 1bwm s LYS 57 CO -0.05 0.58 0.00 0.41 0.00 0.00 0.00 175.35 176.29 1bwm n GLY 58 N 1.61 -1.21 0.19 0.59 0.00 0.42 -4.84 105.19 101.95 1bwm n GLY 58 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 0.99 -2.97 1.61 2.03 -1.14 -4.88 116.55 112.18 1bwm n ASP 59 Ca 0.00 0.17 -0.14 0.00 0.52 0.00 0.00 54.79 55.34 1bwm n ASP 59 Cb 0.00 -0.57 0.02 0.00 -0.72 0.00 0.00 41.12 39.85 1bwm n ASP 59 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1bwm n ILE 60 N -3.49 0.05 -0.24 5.18 -0.00 -1.26 -5.13 119.36 114.46 1bwm n ILE 60 Ca -0.07 -3.42 -0.31 0.00 -0.00 0.00 0.00 62.75 58.96 1bwm n ILE 60 Cb 0.24 0.38 0.30 0.00 -0.00 0.00 0.00 39.64 40.56 1bwm n ILE 60 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1bwm n PRO 61 N 0.20 -4.79 -3.50 6.28 -0.04 -1.26 -5.06 135.00 126.82 1bwm n PRO 61 Ca 0.16 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1bwm n PRO 61 Cb 0.70 -1.95 -0.05 0.00 -0.04 0.00 0.00 33.50 32.17 1bwm n PRO 61 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bwm s ASP 62 N -3.05 -0.61 -0.61 3.54 1.01 -1.26 -5.02 116.67 110.67 1bwm s ASP 62 Ca 0.68 0.88 -0.01 0.00 0.71 0.00 0.00 52.55 54.81 1bwm s ASP 62 Cb -0.13 1.58 -0.01 0.00 1.01 0.00 0.00 42.92 45.37 1bwm s ASP 62 CO 0.58 -0.13 0.57 0.61 0.21 0.00 0.00 175.17 177.01 1bwm n GLY 63 N 4.64 -1.00 3.38 0.21 0.00 -1.26 -4.87 105.19 106.28 1bwm n GLY 63 Ca -0.12 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1bwm n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bwm s TYR 65 N -3.03 0.19 -0.16 1.61 1.13 -1.26 -3.90 117.35 111.93 1bwm s TYR 65 Ca 0.04 -0.55 -0.07 0.00 -1.41 0.00 0.00 57.07 55.07 1bwm s TYR 65 Cb -0.01 0.09 0.06 0.00 -1.10 0.00 0.00 41.96 41.01 1bwm s TYR 65 CO 0.59 -0.76 0.36 0.21 -2.51 0.00 0.00 175.55 173.44 1bwm s LYS 66 N -3.92 0.31 0.24 -3.49 2.20 -0.39 -5.00 119.74 109.70 1bwm s LYS 66 Ca 0.13 0.79 0.04 0.00 -0.36 0.00 0.00 55.97 56.57 1bwm s LYS 66 Cb 0.02 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 1bwm s LYS 66 CO -0.03 -0.19 -0.02 0.00 -0.36 0.00 0.00 175.35 174.75 1bwm s ALA 67 N 1.76 1.93 -0.10 3.13 0.00 -1.26 -0.05 121.76 127.17 1bwm s ALA 67 Ca -0.07 -1.80 -0.20 0.00 0.00 0.00 0.00 51.96 49.90 1bwm s ALA 67 Cb -0.10 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.49 1bwm s ALA 67 CO -0.11 -0.21 0.48 -1.12 0.00 0.00 0.00 175.76 174.79 1bwm s SER 68 N -3.34 -0.45 -0.58 0.00 0.01 -0.42 -4.97 113.70 103.96 1bwm s SER 68 Ca 0.29 0.65 0.05 0.00 1.31 0.00 0.00 55.95 58.24 1bwm s SER 68 Cb 0.05 0.68 0.20 0.00 0.21 0.00 0.00 66.02 67.16 1bwm s SER 68 CO 0.09 -0.36 0.51 -1.14 0.41 0.00 0.00 173.24 172.76 1bwm n ARG 69 N 1.89 1.44 -0.35 12.44 3.00 -1.26 -2.61 116.66 131.21 1bwm n ARG 69 Ca -0.17 -4.05 0.01 0.00 -0.00 0.00 0.00 57.85 53.63 1bwm n ARG 69 Cb 0.56 -2.00 0.14 0.00 0.00 0.00 0.00 32.46 31.17 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 5.02 1.11 -5.26 -0.14 0.13 -1.97 -1.59 132.00 129.29 1bwm h PRO 70 Ca 0.18 -0.07 -0.38 0.00 -0.87 0.00 0.00 66.00 64.86 1bwm h PRO 70 Cb 0.79 -0.25 -0.18 0.00 0.13 0.00 0.00 31.00 31.49 1bwm h PRO 70 CO 0.63 0.73 -0.75 -1.12 -0.23 0.00 0.00 178.00 177.26 1bwm s SER 71 N -5.90 1.82 0.59 1.44 0.01 -1.22 -4.68 113.70 105.76 1bwm s SER 71 Ca -0.13 -0.82 0.30 0.00 1.31 0.00 0.00 55.95 56.62 1bwm s SER 71 Cb 0.19 -0.04 1.82 0.00 0.21 0.00 0.00 66.02 68.19 1bwm s SER 71 CO 0.81 -0.19 2.24 -0.61 0.41 0.00 0.00 173.24 175.90 1bwm h GLN 72 N 3.49 0.00 0.00 12.44 -0.00 -1.84 -2.29 115.11 126.91 1bwm h GLN 72 Ca -0.39 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.08 1bwm h GLN 72 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.64 1bwm h GLN 72 CO 0.52 0.02 -2.13 0.39 0.00 0.00 0.00 178.83 177.62 1bwm n GLU 73 N -3.76 0.67 -3.60 1.69 1.02 -1.26 -4.76 120.64 110.64 1bwm n GLU 73 Ca -0.03 -0.09 -0.36 0.00 -0.02 0.00 0.00 57.16 56.66 1bwm n GLU 73 Cb 0.10 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 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 -5.04 6.30 -0.14 1.62 2.47 -0.86 0.35 114.94 119.64 1bwm s ASN 74 Ca -0.09 0.34 -0.07 0.00 0.42 0.00 0.00 52.86 53.46 1bwm s ASN 74 Cb 0.10 -2.15 0.05 0.00 -1.45 0.00 0.00 41.25 37.81 1bwm s ASN 74 CO 0.87 0.09 0.33 0.12 -3.72 0.00 0.00 177.10 174.78 1bwm s PHE 75 N 0.70 -0.46 0.01 0.43 5.36 -1.04 -3.39 117.98 119.59 1bwm s PHE 75 Ca 0.12 1.03 -0.15 0.00 -0.96 0.00 0.00 56.93 56.98 1bwm s PHE 75 Cb -0.13 0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.73 1bwm s PHE 75 CO 0.03 -0.28 0.31 -1.54 -1.46 0.00 0.00 175.22 172.28 1bwm s SER 76 N 1.27 -0.17 0.25 6.13 1.04 -1.07 -1.78 113.70 119.38 1bwm s SER 76 Ca -0.09 -0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.17 1bwm s SER 76 Cb -0.09 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1bwm s SER 76 CO -0.10 -0.52 0.53 -1.48 0.98 0.00 0.00 173.24 172.65 1bwm s LEU 77 N -1.63 0.20 0.31 2.42 0.05 -1.03 -1.30 118.68 117.70 1bwm s LEU 77 Ca -0.10 -0.85 -0.05 0.00 0.05 0.00 0.00 54.13 53.18 1bwm s LEU 77 Cb -0.03 1.97 -0.00 0.00 -2.05 0.00 0.00 46.19 46.08 1bwm s LEU 77 CO 0.01 -1.18 0.46 0.27 -0.55 0.00 0.00 176.35 175.36 1bwm s ILE 78 N -3.99 0.00 -0.05 1.48 -0.00 0.93 -2.72 121.20 116.85 1bwm s ILE 78 Ca 0.20 -1.57 -0.02 0.00 -0.00 0.00 0.00 60.65 59.25 1bwm s ILE 78 Cb -0.02 -2.54 0.03 0.00 -0.00 0.00 0.00 42.46 39.93 1bwm s ILE 78 CO 0.08 0.00 0.10 -0.76 -0.00 0.00 0.00 174.94 174.36 1bwm s LEU 79 N -3.18 0.94 -0.26 0.37 1.02 -0.94 -1.26 118.68 115.38 1bwm s LEU 79 Ca 0.29 0.20 0.13 0.00 0.02 0.00 0.00 54.13 54.77 1bwm s LEU 79 Cb -0.00 0.21 0.47 0.00 0.02 0.00 0.00 46.19 46.89 1bwm s LEU 79 CO 0.17 -0.13 1.17 -0.62 0.02 0.00 0.00 176.35 176.96 1bwm n GLU 80 N 4.07 2.69 -2.72 1.70 4.71 -1.25 -0.62 120.64 129.22 1bwm n GLU 80 Ca -0.25 -3.78 -0.04 0.00 -0.01 0.00 0.00 57.16 53.08 1bwm n GLU 80 Cb 0.52 -1.90 0.03 0.00 -1.01 0.00 0.00 31.44 29.07 1bwm n GLU 80 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1bwm n LEU 81 N -0.66 -2.53 -4.55 -4.62 7.94 -1.26 -4.72 117.00 106.60 1bwm n LEU 81 Ca 0.29 -2.12 -0.26 0.00 -1.11 0.00 0.00 56.01 52.81 1bwm n LEU 81 Cb 0.90 0.67 -0.09 0.00 0.53 0.00 0.00 43.42 45.43 1bwm n LEU 81 CO 0.24 1.63 -0.42 0.00 -1.11 0.00 0.00 177.39 177.72 1bwm s ALA 82 N 0.85 2.89 0.38 1.96 0.00 -1.26 -4.67 121.76 121.91 1bwm s ALA 82 Ca 0.27 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 50.75 1bwm s ALA 82 Cb 0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 23.12 22.50 1bwm s ALA 82 CO -0.09 0.41 -0.03 0.95 0.00 0.00 0.00 175.76 177.00 1bwm s THR 83 N -1.87 2.15 0.00 0.00 -4.23 -1.26 -2.58 115.64 107.84 1bwm s THR 83 Ca 0.26 -2.08 -0.02 0.00 -1.18 0.00 0.00 61.69 58.66 1bwm s THR 83 Cb -0.08 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.85 1bwm s THR 83 CO 0.15 -0.10 1.47 -0.81 -0.54 0.00 0.00 174.62 174.79 1bwm n PRO 84 N -0.90 0.65 0.00 3.99 -0.05 -1.23 -2.38 135.00 135.08 1bwm n PRO 84 Ca -0.05 -0.30 0.00 0.00 -0.05 0.00 0.00 63.50 63.10 1bwm n PRO 84 Cb 0.65 -1.63 0.00 0.00 -0.05 0.00 0.00 33.50 32.47 1bwm n PRO 84 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1bwm n SER 85 N 2.69 0.00 0.00 3.54 2.88 -1.26 -5.01 113.62 116.46 1bwm n SER 85 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1bwm n SER 85 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm n GLN 86 N 0.00 0.00 -0.37 -1.46 6.02 -1.00 -5.11 117.38 115.45 1bwm n GLN 86 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1bwm n GLN 86 Cb 0.00 -0.43 0.20 0.00 1.02 0.00 0.00 30.24 31.03 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bwm n THR 87 N -0.71 0.00 -3.68 5.09 -1.04 -1.25 -4.97 114.28 107.72 1bwm n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bwm n THR 87 Cb 0.00 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 -3.14 0.00 -4.54 8.00 3.41 -1.01 -4.70 113.62 111.64 1bwm n SER 88 Ca 0.09 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.35 1bwm n SER 88 Cb 0.41 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 4.65 -0.06 -3.33 1.01 -0.96 -2.48 120.40 116.23 1bwm s VAL 89 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1bwm s VAL 89 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1bwm s VAL 89 CO 0.00 0.37 0.80 -0.31 0.00 0.00 0.00 175.10 175.96 1bwm s TYR 90 N 1.15 3.58 -0.12 5.22 1.51 0.33 -2.33 117.35 126.69 1bwm s TYR 90 Ca 0.05 1.39 0.00 0.00 -1.01 0.00 0.00 57.07 57.50 1bwm s TYR 90 Cb -0.14 -2.93 0.02 0.00 -0.11 0.00 0.00 41.96 38.80 1bwm s TYR 90 CO 0.04 0.02 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.32 1bwm s PHE 91 N 1.02 1.78 -0.33 2.71 0.08 -1.05 -1.38 117.98 120.82 1bwm s PHE 91 Ca 0.42 -0.91 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 1bwm s PHE 91 Cb -0.19 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1bwm s PHE 91 CO 0.20 -0.54 0.21 0.00 -0.10 0.00 0.00 175.22 175.00 1bwm s ALA 93 N 1.70 2.05 -0.21 0.00 0.00 -1.06 -2.71 121.76 121.53 1bwm s ALA 93 Ca 0.06 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.26 1bwm s ALA 93 Cb -0.17 -0.14 0.06 0.00 0.00 0.00 0.00 23.12 22.86 1bwm s ALA 93 CO 0.09 0.16 0.54 0.45 0.00 0.00 0.00 175.76 177.01 1bwm s SER 94 N -3.00 -0.60 -0.01 0.00 0.15 -1.26 -1.25 113.70 107.73 1bwm s SER 94 Ca 0.19 1.11 -0.27 0.00 0.70 0.00 0.00 55.95 57.69 1bwm s SER 94 Cb -0.04 1.10 0.06 0.00 -1.71 0.00 0.00 66.02 65.43 1bwm s SER 94 CO 0.07 -0.19 0.60 -0.83 1.20 0.00 0.00 173.24 174.09 1bwm s GLY 95 N 0.55 -0.50 0.34 9.45 0.00 -1.16 -2.60 107.32 113.40 1bwm s GLY 95 Ca -0.02 1.00 0.08 0.00 0.00 0.00 0.00 44.72 45.79 1bwm s GLY 95 CO -0.03 0.68 0.10 -0.32 0.00 0.00 0.00 173.10 173.52 1bwm s GLY 96 N -1.46 2.01 0.20 0.20 0.00 -1.26 -4.22 107.32 102.79 1bwm s GLY 96 Ca -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.74 1bwm s GLY 96 CO 0.05 -1.82 0.00 -1.06 0.00 0.00 0.00 173.10 170.28 1bwm n GLN 97 N -1.08 -1.17 0.07 2.90 6.02 -1.26 -4.31 117.38 118.55 1bwm n GLN 97 Ca -0.03 0.92 -0.21 0.00 -0.01 0.00 0.00 57.00 57.66 1bwm n GLN 97 Cb 0.62 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 30.37 1bwm n GLN 97 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1bwm h GLY 98 N -0.51 0.59 -7.50 1.08 0.00 -2.07 -3.38 103.07 91.28 1bwm h GLY 98 Ca -0.05 -1.24 -0.75 0.00 0.00 0.00 0.00 47.33 45.29 1bwm h GLY 98 CO 0.02 1.09 0.07 0.50 0.00 0.00 0.00 176.54 178.23 1bwm s ARG 99 N -2.90 3.53 0.01 4.80 0.52 -1.26 -5.02 118.95 118.62 1bwm s ARG 99 Ca -0.11 -3.05 -0.00 0.00 -0.52 0.00 0.00 55.73 52.05 1bwm s ARG 99 Cb 0.04 -4.19 -0.01 0.00 0.52 0.00 0.00 34.95 31.32 1bwm s ARG 99 CO 0.89 -1.25 -0.00 0.00 0.02 0.00 0.00 175.30 174.96 1bwm s ALA 104 N -0.94 0.03 -0.21 2.13 0.00 -1.26 -5.09 121.76 116.42 1bwm s ALA 104 Ca 0.26 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1bwm s ALA 104 Cb -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1bwm s ALA 104 CO -0.09 -0.08 1.34 -1.21 0.00 0.00 0.00 175.76 175.72 1bwm s GLU 105 N -0.65 4.08 0.02 0.00 2.02 -1.26 -4.76 118.70 118.15 1bwm s GLU 105 Ca -0.07 1.56 -0.30 0.00 0.02 0.00 0.00 54.97 56.18 1bwm s GLU 105 Cb -0.04 -3.84 -0.08 0.00 0.10 0.00 0.00 34.13 30.26 1bwm s GLU 105 CO -0.00 -0.91 1.92 -1.14 0.02 0.00 0.00 175.26 175.15 1bwm s GLN 106 N 3.86 4.14 -1.31 1.61 0.74 -1.26 -4.86 119.66 122.58 1bwm s GLN 106 Ca 0.58 2.54 -0.18 0.00 0.05 0.00 0.00 55.36 58.35 1bwm s GLN 106 Cb -0.21 -4.14 0.06 0.00 1.10 0.00 0.00 33.01 29.82 1bwm s GLN 106 CO 0.20 -0.95 1.80 1.19 -0.55 0.00 0.00 175.29 176.98 1bwm n PHE 107 N 7.52 4.49 -1.92 1.67 3.01 -1.07 -4.71 117.46 126.46 1bwm n PHE 107 Ca 0.20 -2.82 -0.42 0.00 1.01 0.00 0.00 57.45 55.41 1bwm n PHE 107 Cb 0.41 -2.63 -0.03 0.00 -0.01 0.00 0.00 39.48 37.23 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 4.27 2.77 0.00 1.38 0.08 -1.26 -4.11 117.98 121.11 1bwm s PHE 108 Ca 0.54 0.47 0.00 0.00 0.12 0.00 0.00 56.93 58.06 1bwm s PHE 108 Cb 0.05 -3.95 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 1bwm s PHE 108 CO 0.06 -3.66 0.00 0.41 -0.10 0.00 0.00 175.22 171.93 1bwm n GLY 109 N 3.87 2.16 3.57 4.36 0.00 -1.10 -4.85 105.19 113.21 1bwm n GLY 109 Ca 0.15 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 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 2.95 -0.09 0.19 1.61 0.04 -1.26 -4.76 135.00 133.68 1bwm s PRO 110 Ca 0.00 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.13 1bwm s PRO 110 Cb 0.00 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.91 1bwm s PRO 110 CO 0.00 -3.27 0.32 0.20 0.04 0.00 0.00 177.00 174.30 1bwm s GLY 111 N -2.56 0.57 0.08 0.56 0.00 -1.26 -4.14 107.32 100.57 1bwm s GLY 111 Ca 0.68 -0.95 0.10 0.00 0.00 0.00 0.00 44.72 44.55 1bwm s GLY 111 CO 0.62 -0.82 -0.26 -1.59 0.00 0.00 0.00 173.10 171.04 1bwm s THR 112 N -4.00 2.22 -0.18 0.90 2.01 -0.48 -4.77 115.64 111.35 1bwm s THR 112 Ca 0.20 -1.51 -0.02 0.00 0.31 0.00 0.00 61.69 60.67 1bwm s THR 112 Cb 0.03 -1.91 0.05 0.00 0.01 0.00 0.00 72.50 70.68 1bwm s THR 112 CO 0.03 0.27 0.02 0.00 -0.69 0.00 0.00 174.62 174.25 1bwm s ARG 113 N -1.55 0.79 0.04 4.92 1.70 -1.26 0.12 118.95 123.71 1bwm s ARG 113 Ca 0.13 -0.40 -0.12 0.00 -0.47 0.00 0.00 55.73 54.87 1bwm s ARG 113 Cb -0.10 -1.99 0.01 0.00 -0.57 0.00 0.00 34.95 32.30 1bwm s ARG 113 CO 0.04 -0.57 0.25 -0.48 -1.08 0.00 0.00 175.30 173.45 1bwm s LEU 114 N 1.82 1.12 -0.00 -1.89 0.05 -1.04 -4.77 118.68 113.98 1bwm s LEU 114 Ca -0.00 -0.27 0.07 0.00 0.05 0.00 0.00 54.13 53.98 1bwm s LEU 114 Cb -0.16 1.15 -0.02 0.00 -2.05 0.00 0.00 46.19 45.11 1bwm s LEU 114 CO -0.07 -0.58 -0.23 -0.89 -0.55 0.00 0.00 176.35 174.03 1bwm s THR 115 N -2.53 1.79 -0.28 5.48 2.01 -1.26 -2.42 115.64 118.43 1bwm s THR 115 Ca -0.05 -1.04 -0.13 0.00 0.31 0.00 0.00 61.69 60.78 1bwm s THR 115 Cb -0.01 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1bwm s THR 115 CO -0.03 0.44 0.29 -0.69 -0.69 0.00 0.00 174.62 173.93 1bwm s VAL 116 N -0.60 5.24 0.26 3.82 1.01 -1.25 -2.60 120.40 126.28 1bwm s VAL 116 Ca 0.09 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1bwm s VAL 116 Cb -0.09 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1bwm s VAL 116 CO -0.00 0.18 0.21 0.18 0.00 0.00 0.00 175.10 175.66 1bwm n LEU 116 N 5.21 0.00 0.00 3.92 4.32 -0.83 -3.58 117.00 126.05 1bwm n LEU 116 Ca -0.11 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1bwm n LEU 116 Cb 0.51 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1bwm n LEU 116 CO 0.35 -1.41 0.00 0.61 -1.22 0.00 0.00 177.39 175.73 1bwm n GLY 201 N 0.33 -0.01 3.61 -0.72 0.00 -1.26 -2.30 105.19 104.85 1bwm n GLY 201 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1bwm n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwm s SER 202 N 0.00 6.65 0.57 1.61 1.04 -1.26 -4.71 113.70 117.60 1bwm s SER 202 Ca 0.00 0.63 -0.02 0.00 0.48 0.00 0.00 55.95 57.05 1bwm s SER 202 Cb 0.00 -2.41 0.03 0.00 0.10 0.00 0.00 66.02 63.74 1bwm s SER 202 CO 0.00 -0.63 0.82 -1.81 0.98 0.00 0.00 173.24 172.60 1bwm s ASP 203 N 1.65 5.33 0.27 7.02 1.11 -1.26 -5.03 116.67 125.76 1bwm s ASP 203 Ca 0.32 0.25 0.00 0.00 0.18 0.00 0.00 52.55 53.31 1bwm s ASP 203 Cb -0.14 -1.18 0.00 0.00 1.07 0.00 0.00 42.92 42.68 1bwm s ASP 203 CO 0.13 -1.14 0.00 -1.22 1.18 0.00 0.00 175.17 174.12 1bwm n TYR 204 N -2.45 -2.43 -3.50 4.23 4.01 -1.26 -5.08 117.16 110.68 1bwm n TYR 204 Ca 0.06 0.43 -0.37 0.00 -0.16 0.00 0.00 57.90 57.86 1bwm n TYR 204 Cb 0.59 0.59 -0.07 0.00 -0.31 0.00 0.00 39.34 40.14 1bwm n TYR 204 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1bwm s LYS 205 N -2.00 4.26 -0.56 -0.72 2.47 -1.26 -5.02 119.74 116.91 1bwm s LYS 205 Ca 0.00 0.14 0.06 0.00 -1.56 0.00 0.00 55.97 54.61 1bwm s LYS 205 Cb 0.00 -3.44 0.23 0.00 -1.46 0.00 0.00 37.83 33.16 1bwm s LYS 205 CO 0.00 0.20 0.62 -0.25 0.16 0.00 0.00 175.35 176.08 1bwm n ASP 206 N 3.67 2.32 -4.29 1.43 9.92 -1.26 -5.00 116.55 123.34 1bwm n ASP 206 Ca -0.11 -3.12 -0.35 0.00 -0.53 0.00 0.00 54.79 50.68 1bwm n ASP 206 Cb 0.52 -0.66 -0.14 0.00 -0.64 0.00 0.00 41.12 40.19 1bwm n ASP 206 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1bwm s ASP 207 N -1.77 4.35 -1.17 -2.24 1.11 -1.26 -4.58 116.67 111.11 1bwm s ASP 207 Ca 0.36 -0.50 0.00 0.00 0.18 0.00 0.00 52.55 52.59 1bwm s ASP 207 Cb 0.12 -1.73 0.00 0.00 1.07 0.00 0.00 42.92 42.37 1bwm s ASP 207 CO -0.08 -0.05 0.00 0.47 1.18 0.00 0.00 175.17 176.69 1bwm n ASP 208 N 4.78 -4.14 -0.10 0.27 8.00 -1.26 -4.81 116.55 119.29 1bwm n ASP 208 Ca -0.18 0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1bwm n ASP 208 Cb 0.50 -3.53 -0.16 0.00 -0.02 0.00 0.00 41.12 37.92 1bwm n ASP 208 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1bwm n ASP 209 N -1.77 0.05 -3.93 -2.24 5.75 -1.26 -4.67 116.55 108.49 1bwm n ASP 209 Ca -0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.23 1bwm n ASP 209 Cb 0.61 0.96 -0.04 0.00 -1.03 0.00 0.00 41.12 41.62 1bwm n ASP 209 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1bwm n LYS 210 N -2.76 1.92 -1.93 0.11 5.02 -1.26 -4.68 118.16 114.57 1bwm n LYS 210 Ca -0.33 -2.24 -0.35 0.00 -2.02 0.00 0.00 58.31 53.37 1bwm n LYS 210 Cb 1.16 -3.21 0.04 0.00 -0.02 0.00 0.00 35.03 33.00 1bwm n LYS 210 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bwm n ARG 211 N 7.23 2.97 -3.08 1.97 1.85 -1.26 -4.88 116.66 121.46 1bwm n ARG 211 Ca 0.49 -3.76 -0.44 0.00 -1.00 0.00 0.00 57.85 53.14 1bwm n ARG 211 Cb 0.42 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.56 1bwm n ARG 211 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1bwm n SER 212 N -0.62 5.63 -2.97 2.89 7.64 -1.26 -4.84 113.62 120.09 1bwm n SER 212 Ca 0.52 -3.12 -0.38 0.00 1.01 0.00 0.00 58.87 56.90 1bwm n SER 212 Cb 0.48 -1.41 0.02 0.00 -1.01 0.00 0.00 64.21 62.30 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 2.68 5.41 0.90 0.23 0.00 -1.26 -4.62 105.19 108.52 1bwm n GLY 213 Ca 0.29 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.18 1.23 3.02 -0.02 0.00 -1.26 -5.05 105.19 102.93 1bwm n GLY 214 Ca 0.52 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1bwm n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 215 N -2.46 2.31 0.00 -0.02 0.00 -1.26 -5.04 107.32 100.85 1bwm s GLY 215 Ca 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 44.72 41.68 1bwm s GLY 215 CO 0.00 1.02 0.00 0.61 0.00 0.00 0.00 173.10 174.73 1bwm n GLY 216 N 3.59 -0.50 3.88 0.20 0.00 -1.26 -4.78 105.19 106.32 1bwm n GLY 216 Ca 0.05 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.00 6.52 -0.19 1.61 0.15 -1.26 -5.02 113.70 111.51 1bwm s SER 217 Ca 0.00 0.60 -0.15 0.00 0.70 0.00 0.00 55.95 57.11 1bwm s SER 217 Cb 0.00 -2.11 -0.09 0.00 -1.71 0.00 0.00 66.02 62.11 1bwm s SER 217 CO 0.00 0.29 -0.17 0.61 1.20 0.00 0.00 173.24 175.18 1bwm n GLY 218 N 1.39 -0.75 0.13 9.45 0.00 -1.26 -5.05 105.19 109.09 1bwm n GLY 218 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.48 0.65 0.00 -0.02 0.00 -1.26 -5.13 105.19 100.92 1bwm n GLY 219 Ca -0.22 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.13 5.72 0.00 -0.02 0.00 -1.26 -5.14 105.19 104.36 1bwm n GLY 220 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 3.34 -0.66 0.13 -0.02 0.00 -1.26 -5.08 105.19 101.64 1bwm n GLY 221 Ca 0.00 0.73 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 1bwm n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 222 N 0.00 1.93 -3.41 1.61 3.41 -1.26 -4.49 113.62 111.42 1bwm n SER 222 Ca 0.00 0.33 -0.40 0.00 -0.26 0.00 0.00 58.87 58.54 1bwm n SER 222 Cb 0.00 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 1bwm n SER 222 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 223 N 1.43 4.46 7.00 5.00 0.00 -1.26 -4.92 105.19 116.90 1bwm n GLY 223 Ca -0.45 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1bwm n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 224 N 3.28 1.69 3.43 -0.02 0.00 -1.26 -4.84 105.19 107.47 1bwm n GLY 224 Ca 0.72 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1bwm n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwm s SER 225 N -4.00 -0.53 -1.49 1.61 0.15 -1.26 -4.76 113.70 103.42 1bwm s SER 225 Ca 0.00 0.86 -0.12 0.00 0.70 0.00 0.00 55.95 57.39 1bwm s SER 225 Cb 0.00 0.87 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1bwm s SER 225 CO 0.00 -0.32 2.43 0.61 1.20 0.00 0.00 173.24 177.16 1bwm n GLY 226 N 2.16 4.42 0.00 9.45 0.00 -1.26 -5.14 105.19 114.81 1bwm n GLY 226 Ca -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 5.11 0.00 0.00 4.61 0.00 -1.26 -5.20 120.51 123.78 1bwm n ALA 227 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1bwm n ALA 227 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1bwm n ALA 227 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bwm n GLN 301 N 0.00 0.00 0.02 0.00 6.02 -1.26 -5.24 117.38 116.92 1bwm n GLN 301 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1bwm n GLN 301 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bwm n GLN 302 N 0.00 0.12 -1.85 -1.09 1.13 -1.26 -4.80 117.38 109.62 1bwm n GLN 302 Ca 0.00 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 1bwm n GLN 302 Cb 0.00 -0.70 -0.03 0.00 0.11 0.00 0.00 30.24 29.62 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 -2.19 2.46 -0.06 5.09 1.01 -1.25 -3.62 120.40 121.85 1bwm s VAL 303 Ca -0.06 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1bwm s VAL 303 Cb 0.01 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1bwm s VAL 303 CO 0.09 0.02 0.08 -0.60 0.00 0.00 0.00 175.10 174.69 1bwm s ARG 304 N 1.38 -0.05 0.04 2.72 3.52 -1.10 -4.67 118.95 120.79 1bwm s ARG 304 Ca 0.73 0.36 -0.21 0.00 -0.13 0.00 0.00 55.73 56.48 1bwm s ARG 304 Cb -0.45 -0.60 -0.06 0.00 -1.56 0.00 0.00 34.95 32.28 1bwm s ARG 304 CO 0.32 -0.36 0.61 -1.14 -0.81 0.00 0.00 175.30 173.92 1bwm s GLN 305 N 2.18 4.31 -0.13 5.12 2.00 -1.26 -1.16 119.66 130.72 1bwm s GLN 305 Ca 0.05 0.79 -0.27 0.00 -2.00 0.00 0.00 55.36 53.92 1bwm s GLN 305 Cb -0.12 -3.31 -0.24 0.00 0.80 0.00 0.00 33.01 30.14 1bwm s GLN 305 CO -0.04 0.46 0.76 1.03 -0.50 0.00 0.00 175.29 177.00 1bwm h SER 306 N 5.20 -0.00 -0.50 6.67 0.87 -1.86 -3.35 113.55 120.58 1bwm h SER 306 Ca -0.47 -0.93 -0.02 0.00 -1.23 0.00 0.00 61.79 59.14 1bwm h SER 306 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1bwm h SER 306 CO 0.67 0.95 0.22 -0.65 -0.53 0.00 0.00 176.83 177.49 1bwm h PRO 307 N -0.98 0.73 -5.60 2.24 0.11 -1.92 -3.48 132.00 123.09 1bwm h PRO 307 Ca -0.00 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1bwm h PRO 307 Cb 0.93 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1bwm h PRO 307 CO 0.00 0.64 -0.97 0.94 -0.21 0.00 0.00 178.00 178.40 1bwm n GLN 308 N -4.58 -2.34 -1.57 1.05 7.27 -1.26 -4.76 117.38 111.19 1bwm n GLN 308 Ca 0.02 2.05 0.06 0.00 0.07 0.00 0.00 57.00 59.20 1bwm n GLN 308 Cb 0.14 -3.90 -0.04 0.00 2.41 0.00 0.00 30.24 28.85 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1bwm n SER 309 N 0.75 -8.48 -3.58 1.69 3.41 -1.26 -4.87 113.62 101.28 1bwm n SER 309 Ca 0.01 1.79 -0.06 0.00 -0.26 0.00 0.00 58.87 60.35 1bwm n SER 309 Cb 0.23 -5.21 -0.03 0.00 -0.26 0.00 0.00 64.21 58.94 1bwm n SER 309 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1bwm s LEU 310 N -6.14 -0.20 -0.62 1.04 2.96 -0.62 -4.84 118.68 110.25 1bwm s LEU 310 Ca 0.00 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1bwm s LEU 310 Cb 0.00 1.54 0.20 0.00 0.50 0.00 0.00 46.19 48.43 1bwm s LEU 310 CO 0.00 -0.29 0.56 0.41 -1.32 0.00 0.00 176.35 175.71 1bwm n THR 311 N 0.09 1.29 -0.99 3.68 -1.04 -1.26 -1.04 114.28 115.01 1bwm n THR 311 Ca -0.03 -4.72 -0.30 0.00 -2.04 0.00 0.00 64.05 56.97 1bwm n THR 311 Cb 0.59 -2.07 0.17 0.00 -1.82 0.00 0.00 70.33 67.20 1bwm n THR 311 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bwm s VAL 312 N -1.58 2.41 0.38 12.58 0.11 -0.50 -4.74 120.40 129.06 1bwm s VAL 312 Ca 0.32 0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.44 1bwm s VAL 312 Cb 0.05 -2.46 0.09 0.00 -1.53 0.00 0.00 36.38 32.53 1bwm s VAL 312 CO -0.12 -0.17 0.43 0.79 -3.33 0.00 0.00 175.10 172.70 1bwm n TRP 313 N -4.17 -3.69 -3.53 1.54 7.02 -1.26 -2.41 117.44 110.94 1bwm n TRP 313 Ca 0.07 -0.38 -0.37 0.00 -1.02 0.00 0.00 57.50 55.79 1bwm n TRP 313 Cb 0.55 -0.38 -0.06 0.00 -2.42 0.00 0.00 31.31 29.00 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1bwm s GLU 314 N -3.95 4.05 -0.63 -0.99 4.04 -1.25 -4.11 118.70 115.86 1bwm s GLU 314 Ca 0.26 0.24 -0.00 0.00 0.04 0.00 0.00 54.97 55.50 1bwm s GLU 314 Cb -0.01 -3.33 0.00 0.00 0.02 0.00 0.00 34.13 30.81 1bwm s GLU 314 CO 0.19 0.45 0.04 0.41 -1.84 0.00 0.00 175.26 174.51 1bwm n GLY 315 N 2.64 0.09 3.61 -3.83 0.00 -1.26 -5.03 105.19 101.42 1bwm n GLY 315 Ca -0.13 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1bwm n GLY 315 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bwm s GLU 316 N -4.49 1.98 0.50 1.61 2.12 -1.26 -4.95 118.70 114.22 1bwm s GLU 316 Ca 0.02 -2.20 0.07 0.00 0.36 0.00 0.00 54.97 53.22 1bwm s GLU 316 Cb -0.01 -1.16 0.02 0.00 0.26 0.00 0.00 34.13 33.24 1bwm s GLU 316 CO 0.03 -0.31 0.44 -0.08 -0.54 0.00 0.00 175.26 174.80 1bwm s THR 317 N -3.02 2.10 0.13 -1.70 -1.32 -1.26 -3.82 115.64 106.74 1bwm s THR 317 Ca 0.21 -1.37 -0.05 0.00 -1.21 0.00 0.00 61.69 59.27 1bwm s THR 317 Cb 0.05 -2.47 0.02 0.00 -1.51 0.00 0.00 72.50 68.58 1bwm s THR 317 CO 0.11 0.00 0.26 0.41 -2.21 0.00 0.00 174.62 173.19 1bwm n THR 318 N -1.74 0.00 -3.84 5.08 -1.04 -0.27 -4.92 114.28 107.55 1bwm n THR 318 Ca 0.03 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.05 61.62 1bwm n THR 318 Cb 0.63 0.32 -0.07 0.00 -1.82 0.00 0.00 70.33 69.39 1bwm n THR 318 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1bwm s ILE 319 N -2.70 0.13 -0.03 12.58 -5.25 -1.26 0.16 121.20 124.82 1bwm s ILE 319 Ca 0.05 -1.09 -0.01 0.00 -0.99 0.00 0.00 60.65 58.61 1bwm s ILE 319 Cb -0.02 -1.26 0.03 0.00 2.95 0.00 0.00 42.46 44.16 1bwm s ILE 319 CO 0.04 -0.60 0.03 -0.76 -1.79 0.00 0.00 174.94 171.86 1bwm s LEU 320 N -2.74 0.74 0.01 0.37 1.02 -0.63 -4.88 118.68 112.57 1bwm s LEU 320 Ca 0.03 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.23 1bwm s LEU 320 Cb 0.04 -0.16 -0.04 0.00 0.02 0.00 0.00 46.19 46.05 1bwm s LEU 320 CO -0.10 -0.17 -0.02 0.21 0.02 0.00 0.00 176.35 176.29 1bwm s ASN 321 N 1.51 4.93 0.17 2.29 2.47 -1.26 -0.98 114.94 124.07 1bwm s ASN 321 Ca -0.03 -0.08 0.04 0.00 0.42 0.00 0.00 52.86 53.21 1bwm s ASN 321 Cb -0.13 -1.22 -0.05 0.00 -1.45 0.00 0.00 41.25 38.40 1bwm s ASN 321 CO -0.03 0.27 -0.08 0.00 -3.72 0.00 0.00 177.10 173.54 1bwm s SER 323 N -3.20 0.81 -0.11 0.00 1.04 -0.31 -1.59 113.70 110.33 1bwm s SER 323 Ca 0.19 -1.51 -0.30 0.00 0.48 0.00 0.00 55.95 54.82 1bwm s SER 323 Cb 0.03 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.64 1bwm s SER 323 CO 0.02 -0.90 0.71 -0.72 0.98 0.00 0.00 173.24 173.34 1bwm s TYR 324 N -3.87 -0.67 -0.17 5.02 1.13 -1.24 -2.69 117.35 114.85 1bwm s TYR 324 Ca 0.39 1.29 0.14 0.00 -1.41 0.00 0.00 57.07 57.47 1bwm s TYR 324 Cb 0.06 0.38 0.38 0.00 -1.10 0.00 0.00 41.96 41.67 1bwm s TYR 324 CO 0.17 -0.54 1.19 -1.91 -2.51 0.00 0.00 175.55 171.95 1bwm n GLU 325 N 1.32 1.37 -3.71 -3.49 4.07 -1.24 -4.95 120.64 114.01 1bwm n GLU 325 Ca -0.17 -2.98 -0.20 0.00 -0.06 0.00 0.00 57.16 53.74 1bwm n GLU 325 Cb 0.57 -1.46 -0.02 0.00 -0.06 0.00 0.00 31.44 30.46 1bwm n GLU 325 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1bwm s ASP 326 N -3.01 5.66 -0.16 4.31 1.11 -1.26 -5.02 116.67 118.29 1bwm s ASP 326 Ca 0.35 -0.31 0.19 0.00 0.18 0.00 0.00 52.55 52.96 1bwm s ASP 326 Cb 0.34 -1.18 0.45 0.00 1.07 0.00 0.00 42.92 43.61 1bwm s ASP 326 CO -0.05 -0.34 1.17 -1.20 1.18 0.00 0.00 175.17 175.93 1bwm n SER 327 N -1.47 1.92 -0.92 0.27 7.64 -1.26 -4.79 113.62 115.01 1bwm n SER 327 Ca -0.02 -2.67 -0.06 0.00 1.01 0.00 0.00 58.87 57.13 1bwm n SER 327 Cb 0.59 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.33 0.00 -3.39 0.44 5.66 -1.26 -5.13 114.28 110.27 1bwm n THR 328 Ca 0.15 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.81 1bwm n THR 328 Cb 0.93 0.42 -0.06 0.00 -1.55 0.00 0.00 70.33 70.07 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 3.55 -0.17 1.09 -0.12 -1.26 -4.14 117.98 116.94 1bwm s PHE 329 Ca 0.00 0.99 -0.18 0.00 -0.05 0.00 0.00 56.93 57.69 1bwm s PHE 329 Cb 0.00 -2.32 -0.15 0.00 -0.63 0.00 0.00 43.02 39.92 1bwm s PHE 329 CO 0.00 0.39 0.22 -0.44 -0.05 0.00 0.00 175.22 175.34 1bwm h ASP 330 N 3.28 0.00 -5.43 1.98 3.32 -1.92 -3.46 116.42 114.18 1bwm h ASP 330 Ca -0.48 -0.44 -0.23 0.00 0.02 0.00 0.00 57.03 55.90 1bwm h ASP 330 Cb 1.19 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 1bwm h ASP 330 CO 0.67 1.10 -0.11 -0.72 -1.72 0.00 0.00 179.24 178.46 1bwm s TYR 331 N -2.21 0.90 -0.47 4.55 1.13 -1.26 -4.73 117.35 115.26 1bwm s TYR 331 Ca -0.20 -1.21 0.04 0.00 -1.41 0.00 0.00 57.07 54.29 1bwm s TYR 331 Cb 0.02 0.08 0.13 0.00 -1.10 0.00 0.00 41.96 41.09 1bwm s TYR 331 CO 0.46 -1.22 0.22 -0.06 -2.51 0.00 0.00 175.55 172.44 1bwm s PHE 332 N -2.91 3.08 -0.56 -3.49 0.08 -1.26 -2.72 117.98 110.21 1bwm s PHE 332 Ca 0.28 -3.02 -0.26 0.00 0.12 0.00 0.00 56.93 54.05 1bwm s PHE 332 Cb -0.01 -2.69 -0.08 0.00 -0.57 0.00 0.00 43.02 39.67 1bwm s PHE 332 CO 0.19 -0.78 2.39 -1.25 -0.10 0.00 0.00 175.22 175.67 1bwm s PRO 333 N 0.03 2.01 -1.03 0.24 0.04 -1.18 -3.74 135.00 131.37 1bwm s PRO 333 Ca 0.16 1.19 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 1bwm s PRO 333 Cb -0.24 -4.62 -0.15 0.00 0.04 0.00 0.00 34.50 29.53 1bwm s PRO 333 CO -0.02 -3.51 1.94 0.91 0.04 0.00 0.00 177.00 176.37 1bwm n TRP 334 N 16.39 2.09 -0.75 0.56 7.02 -0.96 -3.83 117.44 137.97 1bwm n TRP 334 Ca 0.38 -1.22 -0.31 0.00 -1.02 0.00 0.00 57.50 55.33 1bwm n TRP 334 Cb 0.52 -2.36 0.27 0.00 -2.42 0.00 0.00 31.31 27.33 1bwm n TRP 334 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1bwm s TYR 335 N 10.99 -0.25 0.03 -5.99 2.02 -0.47 -2.66 117.35 121.02 1bwm s TYR 335 Ca 0.69 0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 57.71 1bwm s TYR 335 Cb 0.02 -3.21 0.02 0.00 -0.40 0.00 0.00 41.96 38.39 1bwm s TYR 335 CO 0.16 -4.51 0.34 0.50 -1.57 0.00 0.00 175.55 170.46 1bwm s ARG 336 N -5.32 0.81 -0.07 -0.62 3.52 -0.69 -1.48 118.95 115.10 1bwm s ARG 336 Ca 0.70 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1bwm s ARG 336 Cb -0.10 0.36 0.03 0.00 -1.56 0.00 0.00 34.95 33.67 1bwm s ARG 336 CO 0.56 -0.26 0.16 -1.14 -0.81 0.00 0.00 175.30 173.82 1bwm s GLN 337 N -2.26 0.15 0.33 5.12 0.74 0.57 -1.11 119.66 123.20 1bwm s GLN 337 Ca -0.07 0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.70 1bwm s GLN 337 Cb -0.02 -0.04 -0.01 0.00 1.10 0.00 0.00 33.01 34.04 1bwm s GLN 337 CO -0.01 -0.09 0.48 -0.06 -0.55 0.00 0.00 175.29 175.05 1bwm s PHE 338 N 0.62 3.24 0.49 1.67 0.40 -1.26 -2.25 117.98 120.89 1bwm s PHE 338 Ca -0.04 -0.07 0.17 0.00 -0.60 0.00 0.00 56.93 56.39 1bwm s PHE 338 Cb -0.06 -1.93 1.24 0.00 0.51 0.00 0.00 43.02 42.78 1bwm s PHE 338 CO -0.03 0.06 2.10 -1.00 0.70 0.00 0.00 175.22 177.05 1bwm h PRO 339 N 0.88 0.00 0.00 0.24 0.14 -1.94 -3.38 132.00 127.94 1bwm h PRO 339 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 1bwm h PRO 339 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1bwm h PRO 339 CO 0.56 0.08 0.00 0.41 0.14 0.00 0.00 178.00 179.19 1bwm n GLY 340 N -1.27 -0.89 2.70 1.56 0.00 -1.26 -4.99 105.19 101.04 1bwm n GLY 340 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 0.55 -2.71 1.61 5.02 -1.26 -5.05 118.16 116.32 1bwm n LYS 341 Ca 0.00 -1.31 -0.06 0.00 -2.02 0.00 0.00 58.31 54.91 1bwm n LYS 341 Cb 0.00 -0.74 0.07 0.00 -0.02 0.00 0.00 35.03 34.34 1bwm n LYS 341 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bwm n SER 342 N 0.92 -2.13 -4.29 4.39 3.41 -1.26 -4.84 113.62 109.82 1bwm n SER 342 Ca 0.03 -2.69 -0.29 0.00 -0.26 0.00 0.00 58.87 55.66 1bwm n SER 342 Cb 0.70 1.39 0.26 0.00 -0.26 0.00 0.00 64.21 66.30 1bwm n SER 342 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1bwm s PRO 343 N 0.38 -1.38 -0.25 4.33 0.05 -1.26 -4.62 135.00 132.25 1bwm s PRO 343 Ca 0.28 0.65 -0.25 0.00 0.05 0.00 0.00 61.00 61.72 1bwm s PRO 343 Cb 0.23 -1.52 0.08 0.00 0.05 0.00 0.00 34.50 33.35 1bwm s PRO 343 CO -0.16 -3.98 0.75 0.00 0.05 0.00 0.00 177.00 173.66 1bwm s ALA 344 N -2.45 -1.80 0.27 8.56 0.00 -0.27 -4.49 121.76 121.58 1bwm s ALA 344 Ca 0.68 1.96 -0.29 0.00 0.00 0.00 0.00 51.96 54.31 1bwm s ALA 344 Cb -0.23 -1.12 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 1bwm s ALA 344 CO 0.63 -0.33 1.24 -1.17 0.00 0.00 0.00 175.76 176.13 1bwm s LEU 345 N 0.24 4.46 0.00 0.00 0.20 -1.26 -1.70 118.68 120.62 1bwm s LEU 345 Ca -0.00 2.46 0.00 0.00 0.69 0.00 0.00 54.13 57.27 1bwm s LEU 345 Cb -0.05 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 1bwm s LEU 345 CO 0.01 -0.41 0.00 0.18 -0.29 0.00 0.00 176.35 175.84 1bwm n LEU 346 N 1.53 0.07 0.00 -0.68 4.77 -1.09 -4.85 117.00 116.76 1bwm n LEU 346 Ca 0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1bwm n LEU 346 Cb 0.43 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1bwm n LEU 346 CO 0.57 -0.47 0.00 2.30 -1.33 0.00 0.00 177.39 178.46 1bwm n ILE 347 N -2.24 0.00 -3.56 -0.08 -0.00 -1.25 -5.02 119.36 107.21 1bwm n ILE 347 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 1bwm n ILE 347 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 39.54 1bwm n ILE 347 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bwm s ALA 348 N -1.55 -0.99 0.50 -1.28 0.00 -1.26 -2.27 121.76 114.91 1bwm s ALA 348 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1bwm s ALA 348 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1bwm s ALA 348 CO 0.00 -0.90 0.00 0.44 0.00 0.00 0.00 175.76 175.30 1bwm n ILE 349 N 5.37 0.00 -0.30 0.00 -5.35 -1.25 -4.91 119.36 112.94 1bwm n ILE 349 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1bwm n ILE 349 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1bwm n ILE 349 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1bwm n SER 350 N 0.00 0.00 -3.08 7.28 2.88 -1.26 -4.19 113.62 115.25 1bwm n SER 350 Ca 0.00 -0.07 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 1bwm n SER 350 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1bwm n SER 350 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1bwm n LEU 351 N 0.00 -4.52 0.00 2.46 0.00 -1.26 -4.93 117.00 108.75 1bwm n LEU 351 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 56.01 55.43 1bwm n LEU 351 Cb 0.02 -2.84 0.00 0.00 0.00 0.00 0.00 43.42 40.59 1bwm n LEU 351 CO 0.00 0.21 0.32 0.55 0.00 0.00 0.00 177.39 178.47 1bwm n VAL 352 N -3.37 0.39 -3.92 1.96 3.14 -1.26 -5.06 118.33 110.21 1bwm n VAL 352 Ca -0.16 -0.45 -0.10 0.00 -2.96 0.00 0.00 64.34 60.67 1bwm n VAL 352 Cb 0.63 0.91 -0.12 0.00 -1.06 0.00 0.00 33.84 34.20 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1bwm s SER 353 N -0.39 0.11 0.53 6.55 0.01 -1.26 -5.02 113.70 114.24 1bwm s SER 353 Ca 0.00 -0.26 0.28 0.00 1.31 0.00 0.00 55.95 57.28 1bwm s SER 353 Cb 0.00 0.11 1.44 0.00 0.21 0.00 0.00 66.02 67.77 1bwm s SER 353 CO 0.00 -0.21 1.95 -1.13 0.41 0.00 0.00 173.24 174.25 1bwm h ASN 354 N 5.08 0.00 -4.96 2.44 -1.24 -1.97 -3.43 115.58 111.50 1bwm h ASN 354 Ca -0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1bwm h ASN 354 Cb 1.21 -0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.14 1bwm h ASN 354 CO 0.43 0.00 0.25 -1.59 -1.29 0.00 0.00 177.43 175.23 1bwm s LYS 355 N -5.00 1.25 0.20 6.67 -2.85 -1.26 -2.21 119.74 116.54 1bwm s LYS 355 Ca -0.05 -0.48 -0.04 0.00 -1.00 0.00 0.00 55.97 54.40 1bwm s LYS 355 Cb 0.20 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 36.51 1bwm s LYS 355 CO 0.75 -0.55 0.22 0.15 0.10 0.00 0.00 175.35 176.02 1bwm s LYS 356 N -3.68 1.25 -0.30 1.78 1.02 -0.81 -4.91 119.74 114.10 1bwm s LYS 356 Ca 0.02 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.41 1bwm s LYS 356 Cb -0.01 0.32 0.12 0.00 -0.52 0.00 0.00 37.83 37.74 1bwm s LYS 356 CO -0.11 -0.44 0.66 -1.83 -0.92 0.00 0.00 175.35 172.71 1bwm s GLU 357 N -4.10 0.60 -0.31 1.68 -1.05 -1.26 0.27 118.70 114.52 1bwm s GLU 357 Ca 0.32 1.40 0.02 0.00 -0.15 0.00 0.00 54.97 56.56 1bwm s GLU 357 Cb 0.05 0.72 0.09 0.00 -0.44 0.00 0.00 34.13 34.55 1bwm s GLU 357 CO 0.09 -0.19 0.04 -0.51 0.95 0.00 0.00 175.26 175.64 1bwm s ASP 358 N 2.62 4.44 0.00 0.83 1.11 -1.08 -4.87 116.67 119.72 1bwm s ASP 358 Ca -0.07 -1.85 0.00 0.00 0.18 0.00 0.00 52.55 50.82 1bwm s ASP 358 Cb -0.10 -1.37 0.00 0.00 1.07 0.00 0.00 42.92 42.51 1bwm s ASP 358 CO -0.19 -0.36 0.00 0.61 1.18 0.00 0.00 175.17 176.41 1bwm n GLY 359 N 4.47 1.99 1.76 0.21 0.00 -1.26 -4.30 105.19 108.06 1bwm n GLY 359 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.10 1.61 1.74 -1.26 -5.11 116.66 111.53 1bwm n ARG 361 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1bwm n ARG 361 Cb 0.00 -0.02 0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1bwm s PHE 362 N -1.88 2.68 0.27 -1.55 -0.12 -1.26 -4.89 117.98 111.23 1bwm s PHE 362 Ca 0.00 1.48 0.10 0.00 -0.05 0.00 0.00 56.93 58.47 1bwm s PHE 362 Cb 0.00 -3.52 -0.05 0.00 -0.63 0.00 0.00 43.02 38.82 1bwm s PHE 362 CO 0.00 -1.96 -0.17 -0.08 -0.05 0.00 0.00 175.22 172.96 1bwm s THR 363 N -1.47 2.24 0.19 -4.49 -1.32 -1.21 -2.65 115.64 106.94 1bwm s THR 363 Ca 0.66 -2.33 0.11 0.00 -1.21 0.00 0.00 61.69 58.93 1bwm s THR 363 Cb -0.32 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 1bwm s THR 363 CO 0.39 -0.41 -0.23 0.27 -2.21 0.00 0.00 174.62 172.43 1bwm s ILE 364 N -2.65 2.28 0.21 5.08 -0.00 0.14 -1.03 121.20 125.24 1bwm s ILE 364 Ca 0.29 -2.04 0.08 0.00 -0.00 0.00 0.00 60.65 58.99 1bwm s ILE 364 Cb -0.03 -2.09 -0.05 0.00 -0.00 0.00 0.00 42.46 40.29 1bwm s ILE 364 CO 0.13 -0.16 -0.16 -0.36 -0.00 0.00 0.00 174.94 174.40 1bwm s PHE 365 N -1.77 1.81 -0.30 1.37 0.40 0.33 -1.93 117.98 117.89 1bwm s PHE 365 Ca 0.20 -0.53 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1bwm s PHE 365 Cb -0.07 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1bwm s PHE 365 CO 0.10 0.41 0.06 0.12 0.70 0.00 0.00 175.22 176.61 1bwm s PHE 366 N -2.84 3.18 -0.47 0.36 5.36 -0.94 -2.58 117.98 120.06 1bwm s PHE 366 Ca 0.23 -1.30 -0.17 0.00 -0.96 0.00 0.00 56.93 54.74 1bwm s PHE 366 Cb -0.02 -2.22 0.05 0.00 -0.34 0.00 0.00 43.02 40.50 1bwm s PHE 366 CO 0.08 -0.67 0.45 -0.80 -1.46 0.00 0.00 175.22 172.82 1bwm s ASN 367 N 1.42 6.17 -0.09 6.13 0.01 -0.83 -4.93 114.94 122.82 1bwm s ASN 367 Ca 0.00 -1.06 -0.26 0.00 -0.71 0.00 0.00 52.86 50.83 1bwm s ASN 367 Cb -0.18 -2.22 -0.26 0.00 0.41 0.00 0.00 41.25 39.01 1bwm s ASN 367 CO 0.01 -0.68 0.90 0.11 -1.51 0.00 0.00 177.10 175.94 1bwm h LYS 368 N 8.80 0.10 -0.27 -0.60 1.57 -1.96 0.96 116.57 125.16 1bwm h LYS 368 Ca -0.28 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1bwm h LYS 368 Cb 1.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1bwm h LYS 368 CO 0.87 0.97 0.25 -0.09 -0.57 0.00 0.00 179.45 180.88 1bwm h ARG 369 N -0.72 0.00 0.00 3.15 2.43 -1.98 -1.94 114.38 115.32 1bwm h ARG 369 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1bwm h ARG 369 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1bwm h ARG 369 CO 0.04 0.00 -1.00 0.39 -1.51 0.00 0.00 179.97 177.89 1bwm n GLU 370 N -4.00 1.92 -3.58 0.20 1.02 -1.23 -5.01 120.64 109.97 1bwm n GLU 370 Ca 0.04 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 1bwm n GLU 370 Cb 0.40 -1.12 0.08 0.00 -0.02 0.00 0.00 31.44 30.78 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 -1.56 -7.19 -4.17 3.49 4.81 0.33 -5.00 118.16 108.87 1bwm n LYS 371 Ca -0.00 0.80 -0.11 0.00 -0.87 0.00 0.00 58.31 58.14 1bwm n LYS 371 Cb 0.22 -5.81 -0.10 0.00 0.02 0.00 0.00 35.03 29.36 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 -6.02 0.90 -0.29 1.64 1.02 -0.91 -4.65 119.74 111.42 1bwm s LYS 372 Ca 0.38 -1.40 -0.10 0.00 0.02 0.00 0.00 55.97 54.87 1bwm s LYS 372 Cb -0.17 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 1bwm s LYS 372 CO 0.74 -0.13 0.15 -0.51 -0.92 0.00 0.00 175.35 174.69 1bwm s LEU 373 N -3.06 3.93 -0.15 3.17 1.43 -0.62 -1.97 118.68 121.40 1bwm s LEU 373 Ca 0.18 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1bwm s LEU 373 Cb 0.07 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1bwm s LEU 373 CO -0.02 -0.10 -0.13 -0.44 0.23 0.00 0.00 176.35 175.89 1bwm s SER 374 N 1.68 3.87 0.47 2.29 0.01 -1.07 -0.45 113.70 120.50 1bwm s SER 374 Ca 0.06 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 56.95 1bwm s SER 374 Cb -0.16 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1bwm s SER 374 CO 0.08 0.10 0.03 -1.48 0.41 0.00 0.00 173.24 172.38 1bwm s LEU 375 N 0.72 2.58 -0.17 2.44 0.05 -0.15 0.12 118.68 124.26 1bwm s LEU 375 Ca -0.06 -1.50 0.00 0.00 0.05 0.00 0.00 54.13 52.62 1bwm s LEU 375 Cb -0.15 -0.85 0.04 0.00 -2.05 0.00 0.00 46.19 43.18 1bwm s LEU 375 CO 0.02 -0.69 -0.08 -1.00 -0.55 0.00 0.00 176.35 174.05 1bwm s HIS 376 N -2.80 1.98 -0.62 3.48 3.76 -0.19 -1.60 115.29 119.29 1bwm s HIS 376 Ca 0.20 -1.26 -0.18 0.00 -0.15 0.00 0.00 55.06 53.67 1bwm s HIS 376 Cb 0.05 -1.44 0.12 0.00 1.11 0.00 0.00 32.58 32.42 1bwm s HIS 376 CO 0.10 -0.66 0.69 -1.50 -0.85 0.00 0.00 174.74 172.53 1bwm s ILE 377 N 1.54 4.96 0.37 0.60 1.10 0.12 -3.32 121.20 126.58 1bwm s ILE 377 Ca 0.00 -1.26 0.06 0.00 -0.51 0.00 0.00 60.65 58.94 1bwm s ILE 377 Cb -0.15 -4.48 -0.00 0.00 0.15 0.00 0.00 42.46 37.98 1bwm s ILE 377 CO -0.08 -1.09 0.52 0.28 -2.11 0.00 0.00 174.94 172.46 1bwm s THR 378 N 2.24 3.80 -0.74 4.00 -1.32 -1.26 -1.11 115.64 121.26 1bwm s THR 378 Ca 0.12 -0.93 -0.01 0.00 -1.21 0.00 0.00 61.69 59.65 1bwm s THR 378 Cb -0.23 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 1bwm s THR 378 CO 0.03 -0.14 0.68 -0.67 -2.21 0.00 0.00 174.62 172.31 1bwm n ASP 379 N -1.75 -7.30 -5.00 8.08 -0.08 -1.26 -4.89 116.55 104.36 1bwm n ASP 379 Ca 0.02 -0.19 -0.18 0.00 -1.51 0.00 0.00 54.79 52.93 1bwm n ASP 379 Cb 0.58 -4.67 0.01 0.00 2.34 0.00 0.00 41.12 39.38 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 -2.96 5.49 0.16 1.67 0.01 -1.25 -5.08 113.70 111.74 1bwm s SER 380 Ca 0.02 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1bwm s SER 380 Cb -0.00 -0.49 -0.05 0.00 0.21 0.00 0.00 66.02 65.69 1bwm s SER 380 CO 0.78 -0.84 -0.03 -1.10 0.41 0.00 0.00 173.24 172.45 1bwm s GLN 381 N -4.37 1.06 0.00 12.44 -0.21 -1.26 -4.50 119.66 122.82 1bwm s GLN 381 Ca 0.55 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1bwm s GLN 381 Cb -0.09 -0.35 0.00 0.00 1.00 0.00 0.00 33.01 33.58 1bwm s GLN 381 CO 0.33 -0.07 0.00 -2.30 -2.12 0.00 0.00 175.29 171.13 1bwm n PRO 382 N -0.21 1.02 -2.56 2.91 -0.01 -1.26 -3.56 135.00 131.33 1bwm n PRO 382 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 63.50 63.35 1bwm n PRO 382 Cb 0.62 0.00 0.03 0.00 -0.01 0.00 0.00 33.50 34.14 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 0.19 0.26 2.19 -1.23 0.00 -1.26 -2.96 105.19 102.38 1bwm n GLY 383 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1bwm n GLY 383 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwm n ASP 384 N -1.22 -3.77 0.00 1.61 2.03 -1.26 -4.48 116.55 109.46 1bwm n ASP 384 Ca -0.07 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1bwm n ASP 384 Cb 0.54 -3.38 0.00 0.00 -0.72 0.00 0.00 41.12 37.57 1bwm n ASP 384 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1bwm n SER 385 N -1.05 0.00 0.00 1.67 2.88 -1.15 -4.15 113.62 111.82 1bwm n SER 385 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1bwm n SER 385 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm n ALA 386 N 6.78 0.00 -3.24 -1.46 0.00 -1.08 -4.95 120.51 116.57 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 3.58 -0.02 0.00 -4.23 -0.96 -2.55 115.64 109.47 1bwm s THR 387 Ca 0.00 -0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1bwm s THR 387 Cb 0.00 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 1bwm s THR 387 CO 0.00 0.45 0.15 -0.31 -0.54 0.00 0.00 174.62 174.37 1bwm s TYR 388 N 1.02 3.48 -0.15 3.99 1.51 -0.86 -0.31 117.35 126.02 1bwm s TYR 388 Ca 0.01 0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1bwm s TYR 388 Cb -0.15 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1bwm s TYR 388 CO 0.01 0.63 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.85 1bwm s PHE 389 N -1.27 2.77 -0.80 2.71 0.08 -0.55 -0.51 117.98 120.40 1bwm s PHE 389 Ca 0.25 -1.10 -0.13 0.00 0.12 0.00 0.00 56.93 56.07 1bwm s PHE 389 Cb -0.12 -1.88 0.21 0.00 -0.57 0.00 0.00 43.02 40.66 1bwm s PHE 389 CO 0.16 -0.50 0.73 0.00 -0.10 0.00 0.00 175.22 175.51 1bwm s ALA 391 N 0.17 4.61 0.16 0.00 0.00 -1.25 -4.24 121.76 121.21 1bwm s ALA 391 Ca 0.17 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 1bwm s ALA 391 Cb -0.12 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 1bwm s ALA 391 CO -0.08 -0.66 0.30 0.00 0.00 0.00 0.00 175.76 175.32 1bwm s ALA 392 N -2.78 -0.17 0.00 0.00 0.00 0.32 -3.09 121.76 116.04 1bwm s ALA 392 Ca 0.44 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1bwm s ALA 392 Cb -0.03 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1bwm s ALA 392 CO 0.28 -0.65 0.00 0.25 0.00 0.00 0.00 175.76 175.64 1bwm n THR 393 N -0.21 0.00 0.00 0.00 -2.24 -1.10 0.17 114.28 110.90 1bwm n THR 393 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1bwm n THR 393 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1bwm n THR 393 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwm n GLY 399 N 5.00 0.91 0.00 3.38 0.00 -1.26 -4.24 105.19 108.98 1bwm n GLY 399 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1bwm n GLY 399 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 400 N 0.00 1.40 -4.82 1.61 7.64 -1.26 -4.88 113.62 113.30 1bwm n SER 400 Ca 0.00 -0.80 -0.36 0.00 1.01 0.00 0.00 58.87 58.72 1bwm n SER 400 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1bwm n SER 400 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1bwm s PHE 401 N -0.96 3.50 -1.74 1.43 0.08 -1.26 -4.45 117.98 114.58 1bwm s PHE 401 Ca 0.00 0.43 -0.17 0.00 0.12 0.00 0.00 56.93 57.31 1bwm s PHE 401 Cb 0.00 -1.96 0.16 0.00 -0.57 0.00 0.00 43.02 40.66 1bwm s PHE 401 CO 0.00 0.61 0.61 0.09 -0.10 0.00 0.00 175.22 176.43 1bwm n ASN 402 N 2.29 -2.06 -0.03 1.36 4.13 -1.26 -4.80 115.26 114.89 1bwm n ASN 402 Ca -0.19 -1.13 -0.07 0.00 1.68 0.00 0.00 54.58 54.87 1bwm n ASN 402 Cb 0.54 -2.21 -0.02 0.00 -1.54 0.00 0.00 39.78 36.55 1bwm n ASN 402 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1bwm n LYS 403 N -4.28 0.15 -3.29 3.52 4.76 -1.26 -5.01 118.16 112.75 1bwm n LYS 403 Ca 0.02 0.07 -0.28 0.00 -2.87 0.00 0.00 58.31 55.25 1bwm n LYS 403 Cb 0.51 -0.76 0.03 0.00 -1.84 0.00 0.00 35.03 32.97 1bwm n LYS 403 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1bwm n LEU 404 N -3.42 -4.27 -4.58 -0.35 7.94 -1.25 -4.68 117.00 106.40 1bwm n LEU 404 Ca -0.12 0.11 -0.40 0.00 -1.11 0.00 0.00 56.01 54.48 1bwm n LEU 404 Cb 0.50 -2.17 -0.03 0.00 0.53 0.00 0.00 43.42 42.25 1bwm n LEU 404 CO 0.02 -0.84 1.93 0.41 -1.11 0.00 0.00 177.39 177.80 1bwm n THR 405 N -0.12 0.16 -3.33 1.96 -1.04 0.44 -4.58 114.28 107.78 1bwm n THR 405 Ca -0.02 -0.60 -0.04 0.00 -2.04 0.00 0.00 64.05 61.34 1bwm n THR 405 Cb 0.60 -2.64 0.01 0.00 -1.82 0.00 0.00 70.33 66.47 1bwm n THR 405 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1bwm n PHE 406 N 13.45 -1.99 -3.74 -1.42 1.16 -1.26 0.12 117.46 123.77 1bwm n PHE 406 Ca 0.33 -0.42 -0.05 0.00 -1.87 0.00 0.00 57.45 55.45 1bwm n PHE 406 Cb 0.48 -0.09 -0.01 0.00 -1.61 0.00 0.00 39.48 38.25 1bwm n PHE 406 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1bwm n GLY 407 N 3.73 2.86 0.20 4.97 0.00 -1.26 -4.17 105.19 111.52 1bwm n GLY 407 Ca 0.01 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.71 1bwm n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm h ALA 408 N 1.61 1.00 -0.76 4.61 0.00 -1.71 -3.11 119.26 120.89 1bwm h ALA 408 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1bwm h ALA 408 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1bwm h ALA 408 CO 0.12 0.00 -0.26 0.41 0.00 0.00 0.00 179.25 179.51 1bwm n GLY 409 N -0.70 -2.64 3.77 0.00 0.00 -1.26 -4.47 105.19 99.89 1bwm n GLY 409 Ca -0.00 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.07 4.85 -0.69 2.61 2.01 0.33 -4.70 115.64 116.99 1bwm s THR 410 Ca 0.00 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 1bwm s THR 410 Cb 0.00 -3.08 0.18 0.00 0.01 0.00 0.00 72.50 69.61 1bwm s THR 410 CO 0.00 0.61 0.53 -0.60 -0.69 0.00 0.00 174.62 174.47 1bwm s ARG 411 N -0.96 2.81 0.07 4.92 3.52 -1.26 -2.03 118.95 126.02 1bwm s ARG 411 Ca 0.14 -2.60 -0.25 0.00 -0.13 0.00 0.00 55.73 52.89 1bwm s ARG 411 Cb -0.12 -3.87 -0.06 0.00 -1.56 0.00 0.00 34.95 29.35 1bwm s ARG 411 CO 0.03 -1.20 0.76 -0.51 -0.81 0.00 0.00 175.30 173.57 1bwm s LEU 412 N -0.17 4.48 0.04 -0.88 2.01 -1.06 -1.59 118.68 121.51 1bwm s LEU 412 Ca 0.18 1.48 0.01 0.00 0.01 0.00 0.00 54.13 55.81 1bwm s LEU 412 Cb -0.17 -3.23 -0.03 0.00 0.01 0.00 0.00 46.19 42.77 1bwm s LEU 412 CO -0.05 0.07 -0.06 0.00 1.01 0.00 0.00 176.35 177.32 1bwm s ALA 413 N -0.32 0.47 0.02 4.21 0.00 -0.20 -2.63 121.76 123.31 1bwm s ALA 413 Ca 0.37 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1bwm s ALA 413 Cb -0.21 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1bwm s ALA 413 CO 0.23 -0.12 -0.15 0.08 0.00 0.00 0.00 175.76 175.80 1bwm s VAL 414 N -1.92 3.02 0.41 0.00 1.01 -1.26 -1.41 120.40 120.25 1bwm s VAL 414 Ca -0.08 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 1bwm s VAL 414 Cb -0.06 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1bwm s VAL 414 CO -0.02 0.40 0.64 -0.44 0.00 0.00 0.00 175.10 175.68 1bwm s SER 415 N -1.30 6.15 0.05 3.32 0.01 -1.01 -4.64 113.70 116.27 1bwm s SER 415 Ca 0.15 0.53 -0.33 0.00 1.31 0.00 0.00 55.95 57.60 1bwm s SER 415 Cb -0.11 -1.95 -0.18 0.00 0.21 0.00 0.00 66.02 63.99 1bwm s SER 415 CO 0.05 -0.48 1.43 1.55 0.41 0.00 0.00 173.24 176.20 1bwm h PRO 416 N 0.52 -1.16 0.00 12.44 0.13 -1.96 -3.34 132.00 138.63 1bwm h PRO 416 Ca -0.48 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1bwm h PRO 416 Cb 1.23 0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.62 1bwm h PRO 416 CO 0.60 -0.77 0.00 0.98 -0.23 0.00 0.00 178.00 178.58