#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bxy s PHE 15 N 0.00 2.60 -0.17 7.33 5.36 -1.26 -4.99 117.98 126.84 2bxy s PHE 15 Ca 0.00 0.20 -0.02 0.00 -0.96 0.00 0.00 56.93 56.14 2bxy s PHE 15 Cb 0.00 -4.15 -0.02 0.00 -0.34 0.00 0.00 43.02 38.51 2bxy s PHE 15 CO 0.00 -4.52 -0.07 -0.65 -1.46 0.00 0.00 175.22 168.51 2bxy s GLN 16 N 1.82 3.46 0.49 10.12 -0.21 -1.26 -5.06 119.66 129.02 2bxy s GLN 16 Ca 0.77 -0.62 -0.21 0.00 0.02 0.00 0.00 55.36 55.32 2bxy s GLN 16 Cb -0.48 -2.85 -0.09 0.00 1.00 0.00 0.00 33.01 30.59 2bxy s GLN 16 CO 0.34 0.06 0.86 -2.37 -2.12 0.00 0.00 175.29 172.05 2bxy n THR 17 N 4.02 2.64 1.67 -0.19 5.66 -1.26 -4.88 114.28 121.94 2bxy n THR 17 Ca -0.18 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.44 2bxy n THR 17 Cb 0.52 -1.00 0.59 0.00 -1.55 0.00 0.00 70.33 68.89 2bxy n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bxy n GLN 18 N -0.12 1.36 -4.09 1.09 6.02 -1.26 -4.88 117.38 115.50 2bxy n GLN 18 Ca 0.11 -0.53 -0.35 0.00 -0.01 0.00 0.00 57.00 56.22 2bxy n GLN 18 Cb 0.43 -1.41 -0.09 0.00 1.02 0.00 0.00 30.24 30.18 2bxy n GLN 18 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2bxy s HIS 19 N -1.94 3.26 -0.05 1.08 3.76 -1.26 -5.09 115.29 115.05 2bxy s HIS 19 Ca 0.36 0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 55.38 2bxy s HIS 19 Cb 0.18 -2.00 0.03 0.00 1.11 0.00 0.00 32.58 31.90 2bxy s HIS 19 CO 0.29 0.26 0.01 0.34 -0.85 0.00 0.00 174.74 174.80 2bxy s ASP 20 N -0.02 1.08 0.58 1.40 -1.08 -1.26 -5.02 116.67 112.35 2bxy s ASP 20 Ca 0.06 -0.03 0.27 0.00 -0.52 0.00 0.00 52.55 52.33 2bxy s ASP 20 Cb -0.12 -0.30 1.62 0.00 -1.46 0.00 0.00 42.92 42.66 2bxy s ASP 20 CO 0.01 -0.17 2.11 -0.65 0.52 0.00 0.00 175.17 176.99 2bxy h PRO 21 N 7.97 0.00 0.00 4.34 0.11 -1.98 -0.40 132.00 142.04 2bxy h PRO 21 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2bxy h PRO 21 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bxy h PRO 21 CO 0.31 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 2bxy h ARG 22 N 0.00 0.00 0.00 1.05 3.08 -2.01 -2.91 114.38 113.58 2bxy h ARG 22 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2bxy h ARG 22 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2bxy h ARG 22 CO -0.00 0.00 -0.01 0.25 -1.07 0.00 0.00 179.97 179.14 2bxy n THR 23 N -2.32 1.65 -1.97 2.04 -2.24 -0.19 -5.06 114.28 106.18 2bxy n THR 23 Ca 0.03 -1.93 -0.42 0.00 -2.27 0.00 0.00 64.05 59.46 2bxy n THR 23 Cb 0.31 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2bxy n THR 23 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2bxy s ARG 24 N -2.39 4.24 0.51 -0.78 3.52 -1.02 -4.93 118.95 118.10 2bxy s ARG 24 Ca 0.24 2.32 -0.20 0.00 -0.13 0.00 0.00 55.73 57.97 2bxy s ARG 24 Cb 0.21 -3.14 -0.07 0.00 -1.56 0.00 0.00 34.95 30.38 2bxy s ARG 24 CO 0.02 -0.53 1.06 -0.51 -0.81 0.00 0.00 175.30 174.54 2bxy s LEU 25 N 0.54 3.79 0.00 -0.88 1.43 -1.26 -4.51 118.68 117.79 2bxy s LEU 25 Ca 0.66 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 2bxy s LEU 25 Cb -0.43 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.23 2bxy s LEU 25 CO 0.36 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.64 2bxy n GLY 26 N -0.22 0.39 3.12 -3.19 0.00 0.47 -4.91 105.19 100.84 2bxy n GLY 26 Ca 0.10 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 2bxy n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bxy s ALA 27 N -2.00 2.27 -0.09 4.61 0.00 -1.26 -0.44 121.76 124.85 2bxy s ALA 27 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2bxy s ALA 27 Cb 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2bxy s ALA 27 CO 0.00 -0.32 -0.09 0.99 0.00 0.00 0.00 175.76 176.34 2bxy s THR 28 N 1.26 1.04 0.21 0.00 2.01 -0.24 -4.68 115.64 115.24 2bxy s THR 28 Ca 0.04 -0.35 -0.32 0.00 0.31 0.00 0.00 61.69 61.36 2bxy s THR 28 Cb -0.13 -1.02 -0.14 0.00 0.01 0.00 0.00 72.50 71.22 2bxy s THR 28 CO -0.12 0.36 1.39 -2.65 -0.69 0.00 0.00 174.62 172.91 2bxy n PRO 29 N 4.47 1.87 -2.61 4.92 -0.02 -1.26 -0.96 135.00 141.40 2bxy n PRO 29 Ca -0.17 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 2bxy n PRO 29 Cb 0.51 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2bxy n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bxy s LEU 30 N 0.31 3.75 0.85 2.45 1.43 0.92 -4.82 118.68 123.57 2bxy s LEU 30 Ca 0.71 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 2bxy s LEU 30 Cb -0.70 -4.39 0.10 0.00 0.03 0.00 0.00 46.19 41.23 2bxy s LEU 30 CO 0.48 -0.48 1.09 -2.16 0.23 0.00 0.00 176.35 175.52 2bxy s PRO 31 N -3.79 1.60 -1.40 1.29 0.04 -1.26 -3.96 135.00 127.52 2bxy s PRO 31 Ca 0.58 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2bxy s PRO 31 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2bxy s PRO 31 CO 0.27 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.66 2bxy n GLY 32 N -1.02 1.06 2.39 0.56 0.00 -1.26 -2.41 105.19 104.52 2bxy n GLY 32 Ca 0.08 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2bxy n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bxy n GLY 33 N -1.22 -0.16 0.04 -0.02 0.00 -1.25 -4.88 105.19 97.71 2bxy n GLY 33 Ca -0.14 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2bxy n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bxy n ALA 34 N -1.55 2.22 0.00 4.61 0.00 -1.01 -5.02 120.51 119.76 2bxy n ALA 34 Ca -0.23 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2bxy n ALA 34 Cb 0.67 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2bxy n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bxy n GLY 35 N 1.22 0.08 2.94 0.00 0.00 -1.26 -3.87 105.19 104.30 2bxy n GLY 35 Ca 0.06 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 2bxy n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bxy s THR 36 N -0.01 0.34 -0.26 2.61 2.01 0.60 -0.06 115.64 120.87 2bxy s THR 36 Ca 0.00 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 2bxy s THR 36 Cb 0.00 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 2bxy s THR 36 CO 0.00 0.09 0.17 -0.60 -0.69 0.00 0.00 174.62 173.59 2bxy s ARG 37 N -0.12 4.00 -0.18 4.92 3.52 -0.13 -1.70 118.95 129.26 2bxy s ARG 37 Ca 0.01 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.24 2bxy s ARG 37 Cb -0.02 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 2bxy s ARG 37 CO -0.00 -0.07 0.07 -0.06 -0.81 0.00 0.00 175.30 174.44 2bxy s PHE 38 N 1.42 3.29 0.03 5.12 0.08 0.50 -1.08 117.98 127.34 2bxy s PHE 38 Ca 0.07 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.27 2bxy s PHE 38 Cb -0.15 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2bxy s PHE 38 CO 0.08 0.22 -0.05 1.03 -0.10 0.00 0.00 175.22 176.40 2bxy s ARG 39 N 0.25 0.40 0.16 0.44 0.52 0.41 -1.14 118.95 119.99 2bxy s ARG 39 Ca 0.05 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 2bxy s ARG 39 Cb -0.12 -0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.33 2bxy s ARG 39 CO -0.00 -0.02 0.35 -0.48 0.02 0.00 0.00 175.30 175.17 2bxy s LEU 40 N -1.55 0.72 -0.12 2.53 0.05 -0.63 -0.40 118.68 119.29 2bxy s LEU 40 Ca -0.13 -0.68 0.03 0.00 0.05 0.00 0.00 54.13 53.40 2bxy s LEU 40 Cb -0.09 1.50 0.00 0.00 -2.05 0.00 0.00 46.19 45.55 2bxy s LEU 40 CO -0.01 -0.91 -0.23 0.86 -0.55 0.00 0.00 176.35 175.51 2bxy s TRP 41 N -3.91 2.61 -0.01 3.48 -0.00 -1.26 -1.36 118.94 118.48 2bxy s TRP 41 Ca 0.12 -1.16 0.00 0.00 -0.00 0.00 0.00 56.10 55.06 2bxy s TRP 41 Cb 0.02 -1.76 0.01 0.00 -0.00 0.00 0.00 33.47 31.75 2bxy s TRP 41 CO -0.03 -0.49 -0.00 -0.08 -0.00 0.00 0.00 176.95 176.34 2bxy s THR 42 N 0.53 0.11 -0.81 5.86 -1.32 0.18 -4.57 115.64 115.63 2bxy s THR 42 Ca -0.14 0.04 0.23 0.00 -1.21 0.00 0.00 61.69 60.61 2bxy s THR 42 Cb -0.17 -0.17 -0.07 0.00 -1.51 0.00 0.00 72.50 70.58 2bxy s THR 42 CO 0.05 0.09 1.17 -1.54 -2.21 0.00 0.00 174.62 172.17 2bxy n SER 43 N 3.65 0.64 0.00 8.08 3.41 -0.50 -4.39 113.62 124.51 2bxy n SER 43 Ca -0.21 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2bxy n SER 43 Cb 0.54 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2bxy n SER 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bxy n THR 44 N -1.75 0.00 -2.11 6.66 -2.24 -1.24 -5.06 114.28 108.54 2bxy n THR 44 Ca 0.04 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.42 2bxy n THR 44 Cb 0.39 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 2bxy n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bxy s ALA 45 N -1.12 3.29 -0.18 6.98 0.00 -1.26 -4.95 121.76 124.53 2bxy s ALA 45 Ca 0.00 1.19 0.13 0.00 0.00 0.00 0.00 51.96 53.29 2bxy s ALA 45 Cb 0.00 -3.47 -0.23 0.00 0.00 0.00 0.00 23.12 19.42 2bxy s ALA 45 CO 0.00 -0.73 0.12 0.54 0.00 0.00 0.00 175.76 175.68 2bxy n ARG 46 N 0.27 0.68 -5.21 0.00 1.74 -1.26 -4.93 116.66 107.94 2bxy n ARG 46 Ca 0.03 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 2bxy n ARG 46 Cb 0.44 -1.57 -0.16 0.00 -1.02 0.00 0.00 32.46 30.15 2bxy n ARG 46 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bxy s THR 47 N -2.51 1.91 -0.07 0.55 -4.23 -1.26 -5.00 115.64 105.03 2bxy s THR 47 Ca -0.14 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.30 2bxy s THR 47 Cb 0.07 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.36 2bxy s THR 47 CO 0.78 0.54 0.15 -0.69 -0.54 0.00 0.00 174.62 174.86 2bxy s VAL 48 N -0.57 -0.19 0.04 2.29 1.01 -1.26 -0.64 120.40 121.09 2bxy s VAL 48 Ca 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2bxy s VAL 48 Cb -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2bxy s VAL 48 CO -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 175.10 175.19 2bxy s ALA 49 N 1.94 0.43 -0.12 5.51 0.00 -0.66 -4.60 121.76 124.26 2bxy s ALA 49 Ca -0.01 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 2bxy s ALA 49 Cb -0.12 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2bxy s ALA 49 CO -0.06 -0.33 -0.01 0.54 0.00 0.00 0.00 175.76 175.91 2bxy s VAL 50 N -3.43 4.21 -0.38 0.00 0.11 0.11 0.08 120.40 121.09 2bxy s VAL 50 Ca 0.02 -0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2bxy s VAL 50 Cb 0.04 -2.81 0.05 0.00 -1.53 0.00 0.00 36.38 32.13 2bxy s VAL 50 CO -0.08 0.54 0.20 -0.60 -3.33 0.00 0.00 175.10 171.83 2bxy s ARG 51 N -0.25 2.69 -0.20 1.54 3.52 -0.28 -0.28 118.95 125.70 2bxy s ARG 51 Ca 0.05 -1.23 -0.03 0.00 -0.13 0.00 0.00 55.73 54.39 2bxy s ARG 51 Cb -0.12 -3.68 -0.01 0.00 -1.56 0.00 0.00 34.95 29.58 2bxy s ARG 51 CO 0.02 -0.77 -0.06 0.08 -0.81 0.00 0.00 175.30 173.76 2bxy s VAL 52 N 1.47 3.38 -1.47 7.11 1.01 0.18 -2.18 120.40 129.90 2bxy s VAL 52 Ca 0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2bxy s VAL 52 Cb -0.20 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.76 2bxy s VAL 52 CO 0.04 0.45 0.71 0.59 0.00 0.00 0.00 175.10 176.89 2bxy n ASN 53 N 4.40 -4.01 0.00 3.32 3.02 0.86 -1.48 115.26 121.37 2bxy n ASN 53 Ca -0.18 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2bxy n ASN 53 Cb 0.51 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 2bxy n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bxy n GLY 54 N -1.38 1.44 3.48 7.41 0.00 -1.26 -5.05 105.19 109.82 2bxy n GLY 54 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2bxy n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bxy s THR 55 N -2.38 3.96 0.00 2.61 2.01 -0.55 -5.07 115.64 116.22 2bxy s THR 55 Ca 0.00 -0.32 -0.24 0.00 0.31 0.00 0.00 61.69 61.44 2bxy s THR 55 Cb 0.00 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 2bxy s THR 55 CO 0.00 0.46 0.71 -1.61 -0.69 0.00 0.00 174.62 173.49 2bxy s GLU 56 N 0.70 4.44 -0.09 4.92 2.02 -1.26 -0.65 118.70 128.78 2bxy s GLU 56 Ca -0.01 0.95 0.01 0.00 0.02 0.00 0.00 54.97 55.94 2bxy s GLU 56 Cb -0.14 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.72 2bxy s GLU 56 CO 0.02 0.23 -0.11 -1.01 0.02 0.00 0.00 175.26 174.41 2bxy s HIS 57 N 0.19 1.52 0.11 1.61 3.76 0.61 -4.98 115.29 118.11 2bxy s HIS 57 Ca 0.37 -0.66 -0.02 0.00 -0.15 0.00 0.00 55.06 54.60 2bxy s HIS 57 Cb -0.19 -1.17 0.03 0.00 1.11 0.00 0.00 32.58 32.36 2bxy s HIS 57 CO 0.20 -0.39 0.06 0.28 -0.85 0.00 0.00 174.74 174.04 2bxy n VAL 58 N 4.30 0.00 -4.85 -0.90 0.31 -1.26 -0.71 118.33 115.22 2bxy n VAL 58 Ca -0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.86 2bxy n VAL 58 Cb 0.51 -0.07 -0.17 0.00 -0.91 0.00 0.00 33.84 33.20 2bxy n VAL 58 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2bxy s THR 60 N -1.07 1.62 -0.17 2.52 2.01 0.29 -4.87 115.64 115.96 2bxy s THR 60 Ca 0.05 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 61.01 2bxy s THR 60 Cb -0.01 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.06 2bxy s THR 60 CO 0.04 0.46 0.97 -0.55 -0.69 0.00 0.00 174.62 174.85 2bxy s SER 61 N 0.57 7.10 0.00 3.53 0.15 -1.26 -1.09 113.70 122.70 2bxy s SER 61 Ca -0.15 1.37 0.17 0.00 0.70 0.00 0.00 55.95 58.03 2bxy s SER 61 Cb -0.17 -2.52 -0.12 0.00 -1.71 0.00 0.00 66.02 61.51 2bxy s SER 61 CO 0.05 -0.52 0.77 0.18 1.20 0.00 0.00 173.24 174.93 2bxy n LEU 62 N 5.57 1.12 0.00 3.45 4.77 0.27 -5.02 117.00 127.16 2bxy n LEU 62 Ca 0.09 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2bxy n LEU 62 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2bxy n LEU 62 CO 0.51 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2bxy n GLY 63 N 1.32 1.61 2.44 -0.72 0.00 -1.25 -4.91 105.19 103.68 2bxy n GLY 63 Ca 0.05 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 2bxy n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bxy n GLY 64 N 1.51 1.40 2.55 -0.02 0.00 -1.26 -2.04 105.19 107.33 2bxy n GLY 64 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2bxy n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bxy n GLY 65 N -1.13 0.39 3.72 -0.02 0.00 -1.26 -4.81 105.19 102.08 2bxy n GLY 65 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2bxy n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bxy s ILE 66 N -1.92 4.85 0.02 -0.61 -1.09 -0.86 -0.65 121.20 120.94 2bxy s ILE 66 Ca 0.00 1.77 0.08 0.00 -2.23 0.00 0.00 60.65 60.27 2bxy s ILE 66 Cb 0.00 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 2bxy s ILE 66 CO 0.00 0.25 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.42 2bxy s TYR 67 N 0.59 2.03 -0.00 3.97 2.02 -0.47 -0.57 117.35 124.93 2bxy s TYR 67 Ca 0.44 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.68 2bxy s TYR 67 Cb -0.20 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 2bxy s TYR 67 CO 0.24 0.04 0.13 -2.00 -1.57 0.00 0.00 175.55 172.40 2bxy s GLU 68 N -0.91 0.46 -0.23 -0.62 2.12 -0.25 -1.61 118.70 117.66 2bxy s GLU 68 Ca 0.09 -0.37 -0.19 0.00 0.36 0.00 0.00 54.97 54.87 2bxy s GLU 68 Cb -0.09 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.55 2bxy s GLU 68 CO 0.01 -0.11 0.59 -1.17 -0.54 0.00 0.00 175.26 174.04 2bxy s LEU 69 N -1.29 -0.37 -0.11 2.70 2.96 -0.29 -0.55 118.68 121.74 2bxy s LEU 69 Ca -0.14 1.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.98 2bxy s LEU 69 Cb -0.07 2.04 -0.03 0.00 0.50 0.00 0.00 46.19 48.62 2bxy s LEU 69 CO 0.01 -0.21 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.18 2bxy s GLU 70 N 0.62 3.18 0.03 1.98 2.02 -1.26 -0.37 118.70 124.90 2bxy s GLU 70 Ca -0.02 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.47 2bxy s GLU 70 Cb -0.05 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 2bxy s GLU 70 CO -0.04 0.50 -0.04 -0.51 0.02 0.00 0.00 175.26 175.19 2bxy s LEU 71 N -0.35 2.24 0.00 1.80 1.43 -0.69 -5.00 118.68 118.12 2bxy s LEU 71 Ca 0.06 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2bxy s LEU 71 Cb -0.12 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.11 2bxy s LEU 71 CO 0.02 -0.27 0.31 -2.65 0.23 0.00 0.00 176.35 174.00 2bxy n PRO 72 N 1.57 0.60 -2.76 1.29 -0.02 -1.25 -0.29 135.00 134.15 2bxy n PRO 72 Ca -0.24 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.89 2bxy n PRO 72 Cb 0.55 -1.30 -0.06 0.00 -0.02 0.00 0.00 33.50 32.67 2bxy n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2bxy s VAL 73 N -0.96 4.19 0.16 -1.45 -7.23 -1.26 -4.63 120.40 109.22 2bxy s VAL 73 Ca 0.00 1.67 0.01 0.00 -1.81 0.00 0.00 61.98 61.85 2bxy s VAL 73 Cb 0.00 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 33.10 2bxy s VAL 73 CO 0.00 -0.00 0.10 0.61 -0.31 0.00 0.00 175.10 175.50 2bxy n GLY 74 N 0.20 3.13 3.65 2.32 0.00 -1.26 -1.95 105.19 111.27 2bxy n GLY 74 Ca 0.04 -2.22 -0.45 0.00 0.00 0.00 0.00 46.02 43.39 2bxy n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bxy n PRO 75 N -0.81 1.79 0.00 1.61 -0.02 -1.26 -1.58 135.00 134.72 2bxy n PRO 75 Ca -0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2bxy n PRO 75 Cb 0.19 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2bxy n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bxy n GLY 76 N 1.86 3.36 3.74 -1.23 0.00 -0.08 -4.97 105.19 107.88 2bxy n GLY 76 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2bxy n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bxy s ALA 77 N -2.97 2.67 -0.11 4.61 0.00 -0.62 -4.64 121.76 120.70 2bxy s ALA 77 Ca 0.00 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 2bxy s ALA 77 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2bxy s ALA 77 CO 0.00 -1.44 -0.02 1.03 0.00 0.00 0.00 175.76 175.33 2bxy s ARG 78 N -3.08 3.17 0.12 0.00 1.81 -1.26 -0.62 118.95 119.10 2bxy s ARG 78 Ca 0.75 -0.46 -0.18 0.00 -1.72 0.00 0.00 55.73 54.12 2bxy s ARG 78 Cb -0.39 -2.81 0.05 0.00 -0.45 0.00 0.00 34.95 31.35 2bxy s ARG 78 CO 0.45 0.55 0.46 1.52 -0.68 0.00 0.00 175.30 177.60 2bxy s TYR 79 N -0.48 -0.31 0.33 -0.53 -0.85 -0.14 -0.10 117.35 115.28 2bxy s TYR 79 Ca 0.08 0.07 -0.06 0.00 -0.52 0.00 0.00 57.07 56.64 2bxy s TYR 79 Cb -0.12 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.57 2bxy s TYR 79 CO 0.02 -0.73 0.51 -0.48 -1.52 0.00 0.00 175.55 173.36 2bxy s LEU 80 N -2.68 0.76 0.24 -3.49 0.05 -0.93 -0.34 118.68 112.29 2bxy s LEU 80 Ca 0.01 -1.34 0.06 0.00 0.05 0.00 0.00 54.13 52.92 2bxy s LEU 80 Cb 0.01 1.70 -0.04 0.00 -2.05 0.00 0.00 46.19 45.81 2bxy s LEU 80 CO -0.11 -1.32 0.21 -0.36 -0.55 0.00 0.00 176.35 174.22 2bxy s PHE 81 N -3.13 3.17 -0.18 3.48 0.08 -0.18 -1.12 117.98 120.09 2bxy s PHE 81 Ca 0.27 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.24 2bxy s PHE 81 Cb -0.01 -1.44 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 2bxy s PHE 81 CO 0.17 0.51 -0.10 0.08 -0.10 0.00 0.00 175.22 175.78 2bxy s VAL 82 N -2.06 1.49 -0.24 -0.44 1.01 0.11 0.38 120.40 120.65 2bxy s VAL 82 Ca 0.33 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2bxy s VAL 82 Cb -0.08 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2bxy s VAL 82 CO 0.25 0.22 -0.07 -0.76 0.00 0.00 0.00 175.10 174.75 2bxy s LEU 83 N 1.47 3.12 -1.61 3.92 1.43 -0.56 -1.65 118.68 124.80 2bxy s LEU 83 Ca 0.01 -0.83 -0.15 0.00 -1.03 0.00 0.00 54.13 52.12 2bxy s LEU 83 Cb -0.15 -1.66 0.12 0.00 0.03 0.00 0.00 46.19 44.53 2bxy s LEU 83 CO -0.09 -0.11 0.82 0.47 0.23 0.00 0.00 176.35 177.67 2bxy n ASP 84 N 4.67 -3.51 0.00 2.29 8.00 0.19 -0.78 116.55 127.42 2bxy n ASP 84 Ca -0.17 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2bxy n ASP 84 Cb 0.47 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 2bxy n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bxy n GLY 85 N -1.56 0.76 3.52 0.44 0.00 -1.26 -5.01 105.19 102.08 2bxy n GLY 85 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2bxy n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bxy s VAL 86 N -3.15 5.17 0.14 1.61 1.01 0.04 -5.04 120.40 120.18 2bxy s VAL 86 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 2bxy s VAL 86 Cb 0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 2bxy s VAL 86 CO 0.00 0.03 1.76 -2.84 0.00 0.00 0.00 175.10 174.05 2bxy s PRO 87 N 1.71 4.15 -0.05 2.72 0.02 -1.26 -1.50 135.00 140.78 2bxy s PRO 87 Ca 0.06 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 63.62 2bxy s PRO 87 Cb -0.17 -3.46 0.03 0.00 0.02 0.00 0.00 34.50 30.92 2bxy s PRO 87 CO 0.10 -0.79 0.01 0.99 -0.33 0.00 0.00 177.00 176.97 2bxy s THR 88 N 2.29 0.25 0.64 0.99 2.01 0.16 -4.96 115.64 117.02 2bxy s THR 88 Ca 0.78 0.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.75 2bxy s THR 88 Cb -0.46 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 2bxy s THR 88 CO 0.35 0.21 1.03 -2.65 -0.69 0.00 0.00 174.62 172.87 2bxy n PRO 89 N 4.81 0.83 -2.63 4.92 -0.02 -1.26 -1.02 135.00 140.64 2bxy n PRO 89 Ca -0.13 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 2bxy n PRO 89 Cb 0.50 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2bxy n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2bxy s ASP 90 N -1.38 6.81 0.63 2.55 2.15 -1.26 -4.76 116.67 121.41 2bxy s ASP 90 Ca 0.77 0.81 0.36 0.00 0.43 0.00 0.00 52.55 54.93 2bxy s ASP 90 Cb -0.39 -2.54 2.07 0.00 -0.30 0.00 0.00 42.92 41.75 2bxy s ASP 90 CO 0.46 -1.02 2.28 -0.65 -0.17 0.00 0.00 175.17 176.06 2bxy h PRO 91 N 8.53 0.00 -0.58 4.34 0.11 -1.92 -0.69 132.00 141.79 2bxy h PRO 91 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2bxy h PRO 91 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2bxy h PRO 91 CO 1.07 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.52 2bxy n TYR 92 N -3.46 0.92 -1.62 0.65 4.01 -1.26 -4.40 117.16 112.00 2bxy n TYR 92 Ca -0.02 -0.40 -0.47 0.00 -0.16 0.00 0.00 57.90 56.84 2bxy n TYR 92 Cb 0.12 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 2bxy n TYR 92 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bxy n ALA 93 N 0.89 0.14 0.78 -0.72 0.00 -0.27 -4.70 120.51 116.63 2bxy n ALA 93 Ca 0.18 0.44 0.12 0.00 0.00 0.00 0.00 53.44 54.19 2bxy n ALA 93 Cb 0.58 -2.16 0.17 0.00 0.00 0.00 0.00 19.45 18.04 2bxy n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bxy n ARG 94 N 2.04 0.15 -3.58 0.00 5.12 -1.26 -2.97 116.66 116.16 2bxy n ARG 94 Ca 0.14 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.95 2bxy n ARG 94 Cb 0.27 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 29.94 2bxy n ARG 94 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2bxy s PHE 95 N -3.09 -0.54 -0.49 -1.55 5.36 -1.26 -4.14 117.98 112.27 2bxy s PHE 95 Ca 0.08 1.08 0.05 0.00 -0.96 0.00 0.00 56.93 57.18 2bxy s PHE 95 Cb 0.16 0.39 0.20 0.00 -0.34 0.00 0.00 43.02 43.43 2bxy s PHE 95 CO 0.73 -0.41 0.45 1.28 -1.46 0.00 0.00 175.22 175.81 2bxy n LEU 96 N 1.34 0.74 0.27 6.12 4.77 -1.26 -1.53 117.00 127.46 2bxy n LEU 96 Ca -0.14 -4.71 0.13 0.00 -0.03 0.00 0.00 56.01 51.26 2bxy n LEU 96 Cb 0.57 0.20 0.79 0.00 -2.33 0.00 0.00 43.42 42.65 2bxy n LEU 96 CO 0.14 1.91 1.03 1.55 -1.33 0.00 0.00 177.39 180.69 2bxy h PRO 97 N 5.07 0.00 -0.51 3.23 0.13 -1.95 -0.97 132.00 137.00 2bxy h PRO 97 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2bxy h PRO 97 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2bxy h PRO 97 CO 0.50 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 2bxy n ASP 98 N -3.78 5.24 0.00 1.44 8.00 -1.26 -4.97 116.55 121.22 2bxy n ASP 98 Ca -0.02 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.56 2bxy n ASP 98 Cb 0.17 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 2bxy n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bxy n GLY 99 N 0.39 -2.08 0.07 0.44 0.00 -0.37 -4.37 105.19 99.28 2bxy n GLY 99 Ca 0.26 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.78 2bxy n GLY 99 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bxy n VAL 100 N -0.08 0.55 0.21 1.61 0.24 -1.26 -2.13 118.33 117.47 2bxy n VAL 100 Ca 0.00 -0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.37 2bxy n VAL 100 Cb 0.00 -0.74 0.23 0.00 -1.47 0.00 0.00 33.84 31.86 2bxy n VAL 100 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2bxy n HIS 101 N -1.99 0.57 -3.52 6.34 8.25 -1.26 -4.74 115.22 118.86 2bxy n HIS 101 Ca 0.05 -0.29 -0.16 0.00 -0.26 0.00 0.00 57.72 57.06 2bxy n HIS 101 Cb 0.34 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.46 2bxy n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bxy n GLY 102 N 1.54 2.55 3.77 -1.41 0.00 -0.91 -4.82 105.19 105.90 2bxy n GLY 102 Ca 0.20 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 2bxy n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bxy s GLU 103 N -3.62 4.16 0.63 1.61 2.02 -1.26 -4.70 118.70 117.54 2bxy s GLU 103 Ca 0.28 2.16 -0.11 0.00 0.02 0.00 0.00 54.97 57.31 2bxy s GLU 103 Cb -0.02 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 2bxy s GLU 103 CO 0.18 -0.33 1.03 0.00 0.02 0.00 0.00 175.26 176.16 2bxy s ALA 104 N -1.22 3.03 -0.11 5.21 0.00 0.54 -4.26 121.76 124.95 2bxy s ALA 104 Ca 0.53 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 2bxy s ALA 104 Cb -0.38 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2bxy s ALA 104 CO 0.50 -0.76 -0.01 -2.00 0.00 0.00 0.00 175.76 173.49 2bxy s GLU 105 N -5.10 3.22 0.09 0.00 2.12 -0.58 -0.96 118.70 117.48 2bxy s GLU 105 Ca 0.56 -0.43 -0.31 0.00 0.36 0.00 0.00 54.97 55.14 2bxy s GLU 105 Cb -0.12 -2.85 -0.08 0.00 0.26 0.00 0.00 34.13 31.35 2bxy s GLU 105 CO 0.53 0.56 1.47 0.08 -0.54 0.00 0.00 175.26 177.35 2bxy s VAL 106 N -0.48 3.24 -0.07 3.70 1.01 0.21 -4.07 120.40 123.94 2bxy s VAL 106 Ca 0.08 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.92 2bxy s VAL 106 Cb -0.12 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2bxy s VAL 106 CO 0.02 0.04 -0.22 -0.69 0.00 0.00 0.00 175.10 174.25 2bxy s VAL 107 N 1.68 2.32 -0.31 2.92 1.01 -1.26 -0.90 120.40 125.86 2bxy s VAL 107 Ca 0.67 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2bxy s VAL 107 Cb -0.37 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2bxy s VAL 107 CO 0.30 0.56 0.07 -0.62 0.00 0.00 0.00 175.10 175.42 2bxy s ASP 108 N -0.08 5.12 0.18 3.32 -1.08 -1.26 -4.57 116.67 118.30 2bxy s ASP 108 Ca -0.05 -0.93 0.25 0.00 -0.52 0.00 0.00 52.55 51.30 2bxy s ASP 108 Cb -0.14 -1.85 0.91 0.00 -1.46 0.00 0.00 42.92 40.37 2bxy s ASP 108 CO 0.04 -0.25 1.77 0.49 0.52 0.00 0.00 175.17 177.75 2bxy n PHE 109 N 4.81 0.71 0.58 -5.34 3.72 -1.26 -3.14 117.46 117.54 2bxy n PHE 109 Ca -0.14 0.23 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 2bxy n PHE 109 Cb 0.46 -0.87 0.45 0.00 -0.94 0.00 0.00 39.48 38.58 2bxy n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bxy n GLY 110 N 0.96 -1.34 0.11 1.37 0.00 -1.26 -4.07 105.19 100.96 2bxy n GLY 110 Ca 0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2bxy n GLY 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bxy h THR 111 N 0.00 1.50 -3.25 2.61 2.02 -1.99 -3.46 112.91 110.34 2bxy h THR 111 Ca 0.00 -1.91 -0.53 0.00 0.77 0.00 0.00 66.41 64.74 2bxy h THR 111 Cb 0.44 2.63 0.08 0.00 -1.74 0.00 0.00 68.15 69.57 2bxy h THR 111 CO 0.00 0.53 0.91 0.33 0.37 0.00 0.00 175.52 177.66 2bxy n PHE 112 N -4.45 2.88 -2.95 3.16 7.35 -1.26 -4.90 117.46 117.30 2bxy n PHE 112 Ca -0.10 0.22 -0.44 0.00 -0.76 0.00 0.00 57.45 56.38 2bxy n PHE 112 Cb 0.53 -2.61 -0.01 0.00 0.35 0.00 0.00 39.48 37.73 2bxy n PHE 112 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2bxy s ASP 113 N 0.58 6.91 0.39 -2.13 1.01 -1.26 -5.02 116.67 117.15 2bxy s ASP 113 Ca 0.65 -2.65 -0.27 0.00 0.71 0.00 0.00 52.55 50.99 2bxy s ASP 113 Cb -0.49 -2.39 -0.10 0.00 1.01 0.00 0.00 42.92 40.95 2bxy s ASP 113 CO 0.47 -0.86 1.42 0.26 0.21 0.00 0.00 175.17 176.67 2bxy s TRP 114 N 1.93 2.66 -0.18 4.23 0.52 -1.26 -4.95 118.94 121.89 2bxy s TRP 114 Ca 0.38 1.27 0.14 0.00 0.02 0.00 0.00 56.10 57.91 2bxy s TRP 114 Cb -0.04 -3.89 0.28 0.00 -1.15 0.00 0.00 33.47 28.68 2bxy s TRP 114 CO -0.04 -2.67 1.19 0.25 0.02 0.00 0.00 176.95 175.70 2bxy n THR 115 N 0.29 1.73 -1.38 2.01 -2.24 -1.26 -4.82 114.28 108.61 2bxy n THR 115 Ca 0.02 -1.83 -0.19 0.00 -2.27 0.00 0.00 64.05 59.77 2bxy n THR 115 Cb 0.41 -0.04 0.16 0.00 -2.10 0.00 0.00 70.33 68.76 2bxy n THR 115 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bxy n ASP 116 N -0.90 4.07 0.25 3.42 5.75 -1.26 -4.62 116.55 123.25 2bxy n ASP 116 Ca 0.14 -3.71 0.09 0.00 -0.01 0.00 0.00 54.79 51.29 2bxy n ASP 116 Cb 0.60 -0.77 0.64 0.00 -1.03 0.00 0.00 41.12 40.56 2bxy n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bxy h ALA 117 N 1.25 1.61 -0.08 2.12 0.00 -2.00 -1.76 119.26 120.39 2bxy h ALA 117 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2bxy h ALA 117 Cb 2.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2bxy h ALA 117 CO 0.93 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 180.08 2bxy n ASP 118 N -4.11 1.35 -4.74 0.00 8.00 -1.26 -4.80 116.55 110.99 2bxy n ASP 118 Ca -0.02 -1.55 -0.38 0.00 0.71 0.00 0.00 54.79 53.55 2bxy n ASP 118 Cb 0.20 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 2bxy n ASP 118 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2bxy s TRP 119 N -1.91 3.57 -0.21 1.24 -0.11 -0.66 -5.00 118.94 115.86 2bxy s TRP 119 Ca 0.35 0.97 0.14 0.00 1.22 0.00 0.00 56.10 58.78 2bxy s TRP 119 Cb 0.19 -2.54 0.45 0.00 -1.50 0.00 0.00 33.47 30.06 2bxy s TRP 119 CO 0.30 0.24 1.18 0.72 -4.62 0.00 0.00 176.95 174.77 2bxy n HIS 120 N 3.33 1.13 -4.20 5.86 8.25 -1.26 -5.06 115.22 123.26 2bxy n HIS 120 Ca -0.07 -1.68 0.00 0.00 -0.26 0.00 0.00 57.72 55.70 2bxy n HIS 120 Cb 0.52 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2bxy n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bxy n GLY 121 N -0.63 -1.81 3.02 -1.41 0.00 -1.26 -4.78 105.19 98.31 2bxy n GLY 121 Ca 0.23 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 2bxy n GLY 121 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2bxy s ILE 122 N 0.00 -0.01 0.47 -0.61 2.07 -1.26 -5.00 121.20 116.85 2bxy s ILE 122 Ca 0.00 0.05 -0.21 0.00 -1.41 0.00 0.00 60.65 59.09 2bxy s ILE 122 Cb 0.00 -0.26 -0.09 0.00 0.13 0.00 0.00 42.46 42.24 2bxy s ILE 122 CO 0.00 0.02 1.01 -0.54 -1.91 0.00 0.00 174.94 173.52 2bxy s LYS 123 N 0.44 3.93 0.22 3.50 1.02 -1.26 -4.89 119.74 122.69 2bxy s LYS 123 Ca -0.03 1.29 -0.08 0.00 0.02 0.00 0.00 55.97 57.17 2bxy s LYS 123 Cb -0.04 -2.12 0.28 0.00 -0.52 0.00 0.00 37.83 35.43 2bxy s LYS 123 CO -0.02 -0.31 1.79 1.25 -0.92 0.00 0.00 175.35 177.14 2bxy h LEU 124 N 1.67 0.46 -1.53 3.17 5.85 -1.96 -0.79 115.31 122.19 2bxy h LEU 124 Ca -0.49 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2bxy h LEU 124 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2bxy h LEU 124 CO 0.60 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.98 2bxy h ALA 125 N 1.39 1.00 -0.17 1.25 0.00 -1.93 -0.44 119.26 120.35 2bxy h ALA 125 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2bxy h ALA 125 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bxy h ALA 125 CO -0.23 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 2bxy n ASP 126 N -2.31 2.93 -4.73 0.00 8.00 -0.31 -4.98 116.55 115.15 2bxy n ASP 126 Ca -0.02 -1.88 -0.40 0.00 0.71 0.00 0.00 54.79 53.20 2bxy n ASP 126 Cb 0.04 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 2bxy n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bxy s VAL 128 N 0.44 1.55 0.35 0.00 1.01 -1.26 -4.20 120.40 118.28 2bxy s VAL 128 Ca 0.40 -1.43 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 2bxy s VAL 128 Cb -0.19 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 2bxy s VAL 128 CO 0.21 -0.27 0.93 -0.36 0.00 0.00 0.00 175.10 175.61 2bxy s PHE 129 N 1.35 3.58 -0.22 5.22 0.08 -0.16 -1.44 117.98 126.39 2bxy s PHE 129 Ca -0.01 1.70 -0.02 0.00 0.12 0.00 0.00 56.93 58.73 2bxy s PHE 129 Cb -0.19 -2.88 0.07 0.00 -0.57 0.00 0.00 43.02 39.45 2bxy s PHE 129 CO -0.09 0.13 0.02 -0.47 -0.10 0.00 0.00 175.22 174.71 2bxy s TYR 130 N -1.77 1.51 -0.24 0.36 5.04 0.18 -0.24 117.35 122.19 2bxy s TYR 130 Ca 0.53 -1.25 -0.25 0.00 -2.44 0.00 0.00 57.07 53.66 2bxy s TYR 130 Cb -0.16 -1.29 -0.00 0.00 0.35 0.00 0.00 41.96 40.86 2bxy s TYR 130 CO 0.21 -0.70 0.85 -2.00 -1.34 0.00 0.00 175.55 172.57 2bxy s GLU 131 N 1.69 4.20 -0.07 4.97 2.12 0.90 -0.59 118.70 131.92 2bxy s GLU 131 Ca -0.00 0.99 0.06 0.00 0.36 0.00 0.00 54.97 56.37 2bxy s GLU 131 Cb -0.18 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 2bxy s GLU 131 CO -0.10 -0.52 -0.25 0.14 -0.54 0.00 0.00 175.26 173.99 2bxy s VAL 132 N 2.84 2.04 -0.39 3.70 -7.23 0.39 -1.32 120.40 120.43 2bxy s VAL 132 Ca 0.36 -1.05 -0.13 0.00 -1.81 0.00 0.00 61.98 59.35 2bxy s VAL 132 Cb -0.15 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.08 2bxy s VAL 132 CO 0.07 0.56 0.25 -2.28 -0.31 0.00 0.00 175.10 173.40 2bxy s HIS 133 N -0.06 3.24 0.26 2.82 2.46 -1.26 -4.44 115.29 118.31 2bxy s HIS 133 Ca -0.06 -0.78 -0.02 0.00 0.47 0.00 0.00 55.06 54.67 2bxy s HIS 133 Cb -0.14 -2.51 0.48 0.00 -0.13 0.00 0.00 32.58 30.27 2bxy s HIS 133 CO 0.05 -0.62 1.80 0.28 -2.47 0.00 0.00 174.74 173.78 2bxy h VAL 134 N 5.75 0.86 -0.08 0.89 2.07 -1.94 -0.52 116.25 123.29 2bxy h VAL 134 Ca -0.26 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 2bxy h VAL 134 Cb 1.11 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2bxy h VAL 134 CO 0.70 0.15 -0.23 1.23 0.02 0.00 0.00 177.57 179.43 2bxy h GLY 135 N 0.80 0.15 0.00 2.17 0.00 -1.92 -3.21 103.07 101.05 2bxy h GLY 135 Ca 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2bxy h GLY 135 CO -0.28 0.09 -0.85 -1.30 0.00 0.00 0.00 176.54 174.20 2bxy n THR 136 N -4.21 0.00 0.28 4.70 -2.24 -0.88 -4.11 114.28 107.81 2bxy n THR 136 Ca -0.01 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2bxy n THR 136 Cb 0.32 0.81 0.79 0.00 -2.10 0.00 0.00 70.33 70.15 2bxy n THR 136 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2bxy h PHE 137 N 0.00 0.00 -4.17 4.78 3.57 -1.11 -1.58 116.94 118.42 2bxy h PHE 137 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2bxy h PHE 137 Cb 0.38 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.97 2bxy h PHE 137 CO 0.00 0.07 -0.60 0.95 -2.23 0.00 0.00 178.31 176.49 2bxy s THR 138 N -4.46 0.18 0.17 4.41 -4.23 -1.26 -4.65 115.64 105.80 2bxy s THR 138 Ca -0.04 -1.69 -0.18 0.00 -1.18 0.00 0.00 61.69 58.60 2bxy s THR 138 Cb 0.14 -1.58 0.09 0.00 1.34 0.00 0.00 72.50 72.50 2bxy s THR 138 CO 0.58 -0.83 1.65 -0.65 -0.54 0.00 0.00 174.62 174.83 2bxy h PRO 139 N 3.01 -0.08 -0.27 3.99 0.11 -1.85 -2.51 132.00 134.40 2bxy h PRO 139 Ca -0.34 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 2bxy h PRO 139 Cb 1.16 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2bxy h PRO 139 CO 0.62 -0.05 -0.05 0.93 -0.21 0.00 0.00 178.00 179.25 2bxy h GLU 140 N -0.08 0.42 -4.02 1.05 3.07 -1.95 -3.47 114.58 109.60 2bxy h GLU 140 Ca 0.19 -0.09 -0.25 0.00 -0.50 0.00 0.00 59.36 58.71 2bxy h GLU 140 Cb 0.37 -0.06 0.09 0.00 -0.84 0.00 0.00 28.75 28.31 2bxy h GLU 140 CO -0.44 0.49 -0.43 0.41 -1.40 0.00 0.00 179.01 177.64 2bxy n GLY 141 N -0.88 -0.00 3.39 -3.84 0.00 -0.95 -5.02 105.19 97.90 2bxy n GLY 141 Ca 0.01 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 2bxy n GLY 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bxy s THR 142 N -3.19 1.44 0.28 2.61 -4.23 -1.25 -4.03 115.64 107.28 2bxy s THR 142 Ca 0.36 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2bxy s THR 142 Cb -0.16 -2.40 0.22 0.00 1.34 0.00 0.00 72.50 71.50 2bxy s THR 142 CO 0.45 -0.32 1.91 1.88 -0.54 0.00 0.00 174.62 178.00 2bxy h TYR 143 N 2.35 1.01 -0.54 3.99 0.99 -1.33 -2.08 116.97 121.35 2bxy h TYR 143 Ca -0.39 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.28 2bxy h TYR 143 Cb 1.23 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 38.61 2bxy h TYR 143 CO 0.65 0.70 0.17 0.00 -0.00 0.00 0.00 178.16 179.68 2bxy h ARG 144 N 1.04 0.84 -0.43 4.88 2.47 -1.83 0.11 114.38 121.45 2bxy h ARG 144 Ca 0.26 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.70 2bxy h ARG 144 Cb 0.03 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 2bxy h ARG 144 CO -0.04 0.76 -0.17 0.00 0.56 0.00 0.00 179.97 181.08 2bxy h ALA 145 N 1.04 0.90 -0.78 0.04 0.00 -1.92 -2.85 119.26 115.69 2bxy h ALA 145 Ca 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2bxy h ALA 145 Cb 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2bxy h ALA 145 CO -0.01 0.63 0.45 0.00 0.00 0.00 0.00 179.25 180.32 2bxy h ALA 146 N 1.08 0.99 -0.60 0.00 0.00 -0.77 -2.62 119.26 117.35 2bxy h ALA 146 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2bxy h ALA 146 Cb 0.68 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2bxy h ALA 146 CO 0.05 0.48 0.40 0.00 0.00 0.00 0.00 179.25 180.18 2bxy h ALA 147 N 1.24 1.79 0.00 0.00 0.00 -0.56 -0.78 119.26 120.94 2bxy h ALA 147 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2bxy h ALA 147 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2bxy h ALA 147 CO -0.05 0.12 0.00 0.93 0.00 0.00 0.00 179.25 180.25 2bxy h GLU 148 N 0.61 0.00 -0.01 0.00 4.39 -1.39 -1.96 114.58 116.22 2bxy h GLU 148 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2bxy h GLU 148 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2bxy h GLU 148 CO -0.07 0.00 -0.24 1.63 -1.16 0.00 0.00 179.01 179.16 2bxy n LYS 149 N -3.03 0.91 -0.12 2.33 4.76 -0.30 -4.46 118.16 118.24 2bxy n LYS 149 Ca -0.01 -0.54 -0.05 0.00 -2.87 0.00 0.00 58.31 54.83 2bxy n LYS 149 Cb 0.18 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.91 2bxy n LYS 149 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2bxy h LEU 150 N 1.33 0.12 -0.99 -0.35 3.38 -1.34 -2.06 115.31 115.40 2bxy h LEU 150 Ca 0.00 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2bxy h LEU 150 Cb 0.51 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 2bxy h LEU 150 CO 0.00 0.11 0.63 -0.65 0.09 0.00 0.00 178.44 178.62 2bxy h PRO 151 N 0.28 1.10 -0.29 1.13 0.11 -1.80 0.11 132.00 132.65 2bxy h PRO 151 Ca 0.19 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.27 2bxy h PRO 151 Cb 0.18 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 2bxy h PRO 151 CO -0.20 0.73 0.04 -0.92 -0.21 0.00 0.00 178.00 177.43 2bxy h TYR 152 N 1.13 0.06 -0.66 0.65 3.20 -1.73 -0.64 116.97 118.97 2bxy h TYR 152 Ca 0.43 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.31 2bxy h TYR 152 Cb 0.21 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2bxy h TYR 152 CO -0.01 -0.00 0.37 -0.07 -1.64 0.00 0.00 178.16 176.82 2bxy h LEU 153 N 0.14 0.82 -0.10 2.82 3.38 -0.83 0.20 115.31 121.74 2bxy h LEU 153 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2bxy h LEU 153 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2bxy h LEU 153 CO -0.20 0.67 0.06 0.50 0.09 0.00 0.00 178.44 179.56 2bxy h LYS 154 N 0.91 0.12 -0.70 1.13 1.63 -0.77 -2.44 116.57 116.46 2bxy h LYS 154 Ca 0.24 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.97 2bxy h LYS 154 Cb 0.02 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2bxy h LYS 154 CO -0.04 0.08 0.19 1.49 -3.45 0.00 0.00 179.45 177.72 2bxy h GLU 155 N 0.12 1.09 -0.66 1.90 4.22 -0.82 -2.58 114.58 117.85 2bxy h GLU 155 Ca 0.04 -0.24 0.12 0.00 0.08 0.00 0.00 59.36 59.35 2bxy h GLU 155 Cb -0.01 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.00 2bxy h GLU 155 CO -0.02 0.95 0.22 1.25 -2.18 0.00 0.00 179.01 179.23 2bxy h LEU 156 N 1.04 0.16 0.00 1.64 5.85 -0.42 -3.47 115.31 120.12 2bxy h LEU 156 Ca 0.22 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2bxy h LEU 156 Cb 0.33 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2bxy h LEU 156 CO -0.00 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.78 2bxy n GLY 157 N -1.32 1.30 3.82 3.75 0.00 -0.93 -4.44 105.19 107.37 2bxy n GLY 157 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2bxy n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bxy s VAL 158 N -2.00 3.51 0.00 1.61 -7.23 -1.18 -4.92 120.40 110.19 2bxy s VAL 158 Ca 0.00 0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2bxy s VAL 158 Cb 0.00 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.67 2bxy s VAL 158 CO 0.00 -0.64 0.08 0.35 -0.31 0.00 0.00 175.10 174.58 2bxy n THR 159 N -3.26 0.00 -3.69 5.32 -2.24 -0.52 -4.63 114.28 105.26 2bxy n THR 159 Ca 0.07 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 2bxy n THR 159 Cb 0.55 1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 69.83 2bxy n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bxy s ALA 160 N -0.34 -0.97 -0.28 6.98 0.00 -0.83 -1.46 121.76 124.86 2bxy s ALA 160 Ca 0.00 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.23 2bxy s ALA 160 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2bxy s ALA 160 CO 0.00 -0.35 0.39 0.42 0.00 0.00 0.00 175.76 176.22 2bxy s ILE 161 N 1.62 5.16 -0.48 0.00 -1.09 0.31 -0.65 121.20 126.07 2bxy s ILE 161 Ca -0.08 0.52 -0.16 0.00 -2.23 0.00 0.00 60.65 58.70 2bxy s ILE 161 Cb -0.09 -3.73 0.08 0.00 -1.58 0.00 0.00 42.46 37.13 2bxy s ILE 161 CO -0.12 0.11 0.43 -1.58 -1.23 0.00 0.00 174.94 172.55 2bxy s GLN 162 N 2.10 3.00 0.00 2.79 2.00 0.24 0.13 119.66 129.92 2bxy s GLN 162 Ca 0.15 -1.32 0.00 0.00 -2.00 0.00 0.00 55.36 52.19 2bxy s GLN 162 Cb -0.16 -4.14 0.00 0.00 0.80 0.00 0.00 33.01 29.51 2bxy s GLN 162 CO 0.10 -1.08 0.00 0.28 -0.50 0.00 0.00 175.29 174.10 2bxy n VAL 163 N 5.26 0.00 -3.23 1.34 0.31 0.19 -0.46 118.33 121.74 2bxy n VAL 163 Ca -0.12 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.83 2bxy n VAL 163 Cb 0.44 -1.37 -0.06 0.00 -0.91 0.00 0.00 33.84 31.94 2bxy n VAL 163 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2bxy s PRO 165 N 1.05 4.22 0.00 5.55 0.02 -1.25 -0.81 135.00 143.77 2bxy s PRO 165 Ca 0.00 0.77 0.12 0.00 0.02 0.00 0.00 61.00 61.91 2bxy s PRO 165 Cb 0.00 -3.14 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 2bxy s PRO 165 CO 0.00 0.57 0.57 1.28 -0.33 0.00 0.00 177.00 179.08 2bxy n LEU 166 N 1.40 0.76 -4.70 -5.54 4.77 -1.26 -4.53 117.00 107.90 2bxy n LEU 166 Ca -0.08 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 54.91 2bxy n LEU 166 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2bxy n LEU 166 CO 0.42 0.17 1.07 0.00 -1.33 0.00 0.00 177.39 177.72 2bxy n ALA 167 N -1.04 1.57 -1.73 -1.18 0.00 -1.26 0.02 120.51 116.89 2bxy n ALA 167 Ca 0.03 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 2bxy n ALA 167 Cb 0.21 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 2bxy n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bxy n ALA 168 N 1.72 2.48 -2.42 0.00 0.00 0.97 -4.39 120.51 118.88 2bxy n ALA 168 Ca 0.10 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.72 2bxy n ALA 168 Cb 0.34 -2.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.22 2bxy n ALA 168 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2bxy s PHE 169 N 0.42 1.86 0.45 0.00 -0.12 -1.26 0.24 117.98 119.57 2bxy s PHE 169 Ca 0.69 -0.95 -0.21 0.00 -0.05 0.00 0.00 56.93 56.41 2bxy s PHE 169 Cb -0.52 -1.17 -0.10 0.00 -0.63 0.00 0.00 43.02 40.60 2bxy s PHE 169 CO 0.43 -0.01 0.97 0.34 -0.05 0.00 0.00 175.22 176.90 2bxy s ASP 170 N -3.44 6.78 0.00 1.98 2.15 -1.26 -4.69 116.67 118.19 2bxy s ASP 170 Ca 0.35 1.74 0.00 0.00 0.43 0.00 0.00 52.55 55.07 2bxy s ASP 170 Cb 0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2bxy s ASP 170 CO 0.14 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.28 2bxy n GLY 171 N -0.58 -0.03 0.55 2.66 0.00 -1.25 -4.62 105.19 101.92 2bxy n GLY 171 Ca 0.08 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.35 2bxy n GLY 171 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bxy n GLN 172 N 0.01 1.34 -3.70 1.61 1.13 -1.26 -4.94 117.38 111.57 2bxy n GLN 172 Ca 0.00 -1.10 -0.09 0.00 -1.94 0.00 0.00 57.00 53.87 2bxy n GLN 172 Cb 0.00 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.85 2bxy n GLN 172 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2bxy s ARG 173 N -2.42 1.56 0.00 -1.09 3.03 -1.26 -5.00 118.95 113.77 2bxy s ARG 173 Ca 0.19 -0.80 0.00 0.00 2.03 0.00 0.00 55.73 57.15 2bxy s ARG 173 Cb 0.18 0.59 0.00 0.00 -1.03 0.00 0.00 34.95 34.69 2bxy s ARG 173 CO 0.54 -0.70 0.00 0.41 -1.13 0.00 0.00 175.30 174.42 2bxy n GLY 174 N -0.41 1.89 0.27 3.88 0.00 -1.26 -3.24 105.19 106.31 2bxy n GLY 174 Ca -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 2bxy n GLY 174 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2bxy h TRP 175 N 0.00 0.72 0.00 1.61 4.06 -1.97 -3.47 115.95 116.89 2bxy h TRP 175 Ca 0.00 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.85 2bxy h TRP 175 Cb 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 27.96 2bxy h TRP 175 CO 0.00 0.71 0.00 0.41 -3.56 0.00 0.00 178.44 176.00 2bxy n GLY 176 N -0.65 1.51 0.00 1.49 0.00 -1.26 -4.18 105.19 102.11 2bxy n GLY 176 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2bxy n GLY 176 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bxy n TYR 177 N 0.00 0.00 0.13 1.61 4.01 -1.26 -1.74 117.16 119.91 2bxy n TYR 177 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2bxy n TYR 177 Cb 0.00 -0.11 0.27 0.00 -0.31 0.00 0.00 39.34 39.19 2bxy n TYR 177 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2bxy n ASP 178 N -1.11 3.41 -4.00 7.72 8.00 -1.26 -4.54 116.55 124.76 2bxy n ASP 178 Ca 0.16 -1.98 -0.50 0.00 0.71 0.00 0.00 54.79 53.18 2bxy n ASP 178 Cb 0.13 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 2bxy n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bxy n GLY 179 N 1.52 -0.60 0.00 0.44 0.00 -0.71 -3.41 105.19 102.43 2bxy n GLY 179 Ca 0.21 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2bxy n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bxy n ALA 180 N 0.99 1.89 -3.77 4.61 0.00 0.14 -0.76 120.51 123.61 2bxy n ALA 180 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 2bxy n ALA 180 Cb 0.11 0.26 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 2bxy n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bxy s ALA 181 N -1.87 3.36 0.33 0.00 0.00 -0.83 -4.57 121.76 118.18 2bxy s ALA 181 Ca 0.00 -2.93 0.27 0.00 0.00 0.00 0.00 51.96 49.30 2bxy s ALA 181 Cb 0.00 -2.50 1.30 0.00 0.00 0.00 0.00 23.12 21.92 2bxy s ALA 181 CO 0.00 -1.96 2.00 0.74 0.00 0.00 0.00 175.76 176.54 2bxy h PHE 182 N 7.44 0.00 -0.01 0.00 -1.00 -1.87 -2.37 116.94 119.14 2bxy h PHE 182 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 2bxy h PHE 182 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 2bxy h PHE 182 CO 0.62 0.15 -0.17 0.66 -1.61 0.00 0.00 178.31 177.96 2bxy n TYR 183 N -3.54 0.00 -3.85 -0.55 4.01 -1.26 -4.65 117.16 107.33 2bxy n TYR 183 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 2bxy n TYR 183 Cb 0.30 -0.14 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 2bxy n TYR 183 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bxy s ALA 184 N -2.45 2.90 0.25 -0.72 0.00 -0.91 -4.41 121.76 116.41 2bxy s ALA 184 Ca 0.27 -1.75 -0.31 0.00 0.00 0.00 0.00 51.96 50.17 2bxy s ALA 184 Cb 0.20 -2.06 -0.12 0.00 0.00 0.00 0.00 23.12 21.14 2bxy s ALA 184 CO 0.49 -1.29 1.68 -2.30 0.00 0.00 0.00 175.76 174.34 2bxy n PRO 185 N 4.69 2.78 -1.63 0.00 -0.02 -1.26 -0.02 135.00 139.54 2bxy n PRO 185 Ca -0.13 1.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.90 2bxy n PRO 185 Cb 0.44 -2.82 -0.04 0.00 -0.02 0.00 0.00 33.50 31.06 2bxy n PRO 185 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2bxy n TYR 186 N 3.21 2.22 -0.33 6.00 9.36 0.10 -4.65 117.16 133.08 2bxy n TYR 186 Ca 0.13 -0.17 0.03 0.00 3.32 0.00 0.00 57.90 61.21 2bxy n TYR 186 Cb 0.36 -2.73 0.17 0.00 -0.63 0.00 0.00 39.34 36.51 2bxy n TYR 186 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2bxy h ALA 187 N 11.92 1.28 -0.62 2.98 0.00 -1.82 -1.79 119.26 131.22 2bxy h ALA 187 Ca -0.45 0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.65 2bxy h ALA 187 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2bxy h ALA 187 CO 0.96 0.25 0.45 -1.35 0.00 0.00 0.00 179.25 179.56 2bxy h PRO 188 N 0.97 0.00 0.00 0.00 0.11 -1.94 -1.26 132.00 129.87 2bxy h PRO 188 Ca 0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 2bxy h PRO 188 Cb 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2bxy h PRO 188 CO -0.21 0.00 -0.08 1.88 -0.21 0.00 0.00 178.00 179.38 2bxy h TYR 189 N 0.00 0.00 0.00 0.65 0.99 -1.55 -3.45 116.97 113.62 2bxy h TYR 189 Ca 0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.02 2bxy h TYR 189 Cb 1.19 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.92 2bxy h TYR 189 CO 0.00 0.08 0.00 0.41 -0.00 0.00 0.00 178.16 178.65 2bxy n GLY 190 N 0.29 1.66 3.93 3.88 0.00 -0.48 -0.85 105.19 113.62 2bxy n GLY 190 Ca 0.01 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 2bxy n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bxy s ARG 191 N -1.44 2.55 0.28 1.61 0.52 -1.26 -4.49 118.95 116.71 2bxy s ARG 191 Ca 0.00 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 2bxy s ARG 191 Cb 0.00 -2.25 0.61 0.00 0.52 0.00 0.00 34.95 33.83 2bxy s ARG 191 CO 0.00 -0.95 1.77 -1.35 0.02 0.00 0.00 175.30 174.79 2bxy h PRO 192 N -0.35 0.65 0.00 3.54 0.11 -1.92 -0.22 132.00 133.82 2bxy h PRO 192 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2bxy h PRO 192 Cb 1.29 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2bxy h PRO 192 CO 0.60 0.43 -0.25 1.05 -0.21 0.00 0.00 178.00 179.62 2bxy h GLU 193 N 0.67 0.00 -0.53 1.05 9.09 -2.00 -2.21 114.58 120.65 2bxy h GLU 193 Ca 0.51 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.80 2bxy h GLU 193 Cb 0.75 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.83 2bxy h GLU 193 CO -0.37 0.25 -0.14 -0.44 0.05 0.00 0.00 179.01 178.36 2bxy h ASP 194 N 0.00 1.03 0.00 3.06 3.32 -1.41 -0.75 116.42 121.68 2bxy h ASP 194 Ca -0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2bxy h ASP 194 Cb 0.68 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2bxy h ASP 194 CO 0.03 1.16 0.00 -0.11 -1.72 0.00 0.00 179.24 178.60 2bxy n LEU 195 N -4.13 0.44 0.00 1.55 7.94 -0.83 -1.77 117.00 120.19 2bxy n LEU 195 Ca 0.01 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 2bxy n LEU 195 Cb 0.42 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.26 2bxy n LEU 195 CO 0.46 0.08 0.00 0.00 -1.11 0.00 0.00 177.39 176.82 2bxy n ALA 197 N 0.66 0.00 0.03 1.96 0.00 -0.29 -1.81 120.51 121.06 2bxy n ALA 197 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2bxy n ALA 197 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 2bxy n ALA 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bxy h LEU 198 N 0.00 0.01 -0.58 0.00 5.85 -1.62 -1.15 115.31 117.81 2bxy h LEU 198 Ca 0.00 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2bxy h LEU 198 Cb 0.00 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2bxy h LEU 198 CO 0.00 0.12 0.16 0.58 -0.34 0.00 0.00 178.44 178.96 2bxy h VAL 199 N -0.11 1.24 -0.49 1.05 2.07 -1.65 -1.30 116.25 117.07 2bxy h VAL 199 Ca 0.00 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2bxy h VAL 199 Cb 0.12 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2bxy h VAL 199 CO -0.00 0.32 0.24 -0.78 0.02 0.00 0.00 177.57 177.36 2bxy h ASP 200 N 0.82 0.64 -0.66 0.57 3.58 -1.81 -0.16 116.42 119.40 2bxy h ASP 200 Ca 0.18 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2bxy h ASP 200 Cb 0.31 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 2bxy h ASP 200 CO -0.00 0.58 0.31 0.00 -2.88 0.00 0.00 179.24 177.25 2bxy h ALA 201 N 1.08 0.85 -0.30 -0.78 0.00 -1.03 -1.11 119.26 117.97 2bxy h ALA 201 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bxy h ALA 201 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bxy h ALA 201 CO -0.02 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.83 2bxy h ALA 202 N 1.14 0.38 -0.75 0.00 0.00 -0.88 -2.40 119.26 116.75 2bxy h ALA 202 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2bxy h ALA 202 Cb 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2bxy h ALA 202 CO -0.03 -0.10 0.37 0.45 0.00 0.00 0.00 179.25 179.94 2bxy h HIS 203 N 0.37 1.06 0.00 0.00 -0.00 -0.71 -0.10 115.15 115.78 2bxy h HIS 203 Ca 0.11 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 2bxy h HIS 203 Cb 0.04 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 2bxy h HIS 203 CO -0.04 0.77 -0.17 0.00 -0.00 0.00 0.00 177.93 178.49 2bxy h ARG 204 N 1.07 0.00 -0.01 2.45 2.47 -0.99 -0.28 114.38 119.08 2bxy h ARG 204 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2bxy h ARG 204 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2bxy h ARG 204 CO -0.04 0.17 -0.06 1.28 0.56 0.00 0.00 179.97 181.88 2bxy n LEU 205 N -4.17 0.94 0.00 3.04 4.77 -0.58 -4.93 117.00 116.07 2bxy n LEU 205 Ca -0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2bxy n LEU 205 Cb 0.24 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2bxy n LEU 205 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2bxy n GLY 206 N 1.19 0.48 3.65 -0.72 0.00 -0.12 -5.01 105.19 104.65 2bxy n GLY 206 Ca 0.18 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 2bxy n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bxy s LEU 207 N 0.00 3.65 0.69 0.99 1.43 -0.15 -4.98 118.68 120.31 2bxy s LEU 207 Ca 0.00 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 2bxy s LEU 207 Cb 0.00 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2bxy s LEU 207 CO 0.00 0.28 1.06 -0.83 0.23 0.00 0.00 176.35 177.08 2bxy s GLY 208 N -0.26 1.67 -0.04 -3.19 0.00 -0.54 -3.49 107.32 101.47 2bxy s GLY 208 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 2bxy s GLY 208 CO 0.02 0.37 0.04 0.14 0.00 0.00 0.00 173.10 173.67 2bxy s VAL 209 N -3.06 -0.02 0.11 1.40 1.01 -1.26 -0.53 120.40 118.05 2bxy s VAL 209 Ca 0.58 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.95 2bxy s VAL 209 Cb -0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2bxy s VAL 209 CO 0.55 0.15 -0.23 -0.36 0.00 0.00 0.00 175.10 175.22 2bxy s PHE 210 N 1.68 2.42 -0.08 5.22 0.08 0.12 -0.56 117.98 126.86 2bxy s PHE 210 Ca -0.01 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.75 2bxy s PHE 210 Cb -0.13 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2bxy s PHE 210 CO -0.03 0.33 -0.22 -1.17 -0.10 0.00 0.00 175.22 174.03 2bxy s LEU 211 N -1.96 2.25 -0.10 -0.37 2.96 -0.56 -0.64 118.68 120.25 2bxy s LEU 211 Ca 0.15 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 2bxy s LEU 211 Cb -0.10 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2bxy s LEU 211 CO 0.07 0.22 1.19 -0.62 -1.32 0.00 0.00 176.35 175.90 2bxy s ASP 212 N -0.02 7.04 0.08 3.68 -1.08 0.01 -0.36 116.67 126.01 2bxy s ASP 212 Ca -0.07 1.73 0.07 0.00 -0.52 0.00 0.00 52.55 53.76 2bxy s ASP 212 Cb -0.15 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 2bxy s ASP 212 CO 0.05 -0.63 -0.17 0.68 0.52 0.00 0.00 175.17 175.61 2bxy s VAL 213 N 2.64 1.40 -0.51 1.11 -7.23 -0.13 -3.86 120.40 113.82 2bxy s VAL 213 Ca 0.54 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2bxy s VAL 213 Cb -0.23 -1.29 0.13 0.00 0.56 0.00 0.00 36.38 35.55 2bxy s VAL 213 CO 0.18 -0.09 0.25 -0.69 -0.31 0.00 0.00 175.10 174.44 2bxy s VAL 214 N -1.13 2.56 -0.47 1.32 1.01 -1.26 -0.88 120.40 121.56 2bxy s VAL 214 Ca 0.03 -3.28 0.15 0.00 0.00 0.00 0.00 61.98 58.88 2bxy s VAL 214 Cb -0.10 -2.79 0.76 0.00 0.00 0.00 0.00 36.38 34.26 2bxy s VAL 214 CO 0.03 -0.79 1.68 -1.22 0.00 0.00 0.00 175.10 174.80 2bxy n TYR 215 N 3.16 1.79 0.28 5.22 4.01 -1.26 -4.13 117.16 126.22 2bxy n TYR 215 Ca 0.05 -0.72 0.05 0.00 -0.16 0.00 0.00 57.90 57.13 2bxy n TYR 215 Cb 0.32 -0.42 -0.07 0.00 -0.31 0.00 0.00 39.34 38.86 2bxy n TYR 215 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2bxy n ASN 216 N 0.61 1.37 -3.49 7.72 0.23 -1.26 -4.98 115.26 115.47 2bxy n ASN 216 Ca 0.26 -0.42 -0.09 0.00 -0.53 0.00 0.00 54.58 53.80 2bxy n ASN 216 Cb 1.08 1.22 -0.02 0.00 -2.08 0.00 0.00 39.78 39.98 2bxy n ASN 216 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2bxy s HIS 217 N -2.35 -0.40 0.05 -2.53 -3.43 -1.26 -4.61 115.29 100.76 2bxy s HIS 217 Ca 0.00 0.27 0.01 0.00 -0.80 0.00 0.00 55.06 54.54 2bxy s HIS 217 Cb 0.08 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 2bxy s HIS 217 CO 0.45 -0.61 0.14 -0.06 -2.00 0.00 0.00 174.74 172.66 2bxy s PHE 218 N -3.15 3.37 1.00 0.38 0.08 -1.26 -4.91 117.98 113.48 2bxy s PHE 218 Ca 0.04 0.20 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 2bxy s PHE 218 Cb -0.01 -1.72 0.19 0.00 -0.57 0.00 0.00 43.02 40.91 2bxy s PHE 218 CO -0.09 0.57 1.11 0.20 -0.10 0.00 0.00 175.22 176.91 2bxy s GLY 219 N -2.25 1.65 0.26 4.36 0.00 0.06 -4.65 107.32 106.75 2bxy s GLY 219 Ca 0.30 0.41 0.25 0.00 0.00 0.00 0.00 44.72 45.68 2bxy s GLY 219 CO 0.22 0.92 1.75 -0.56 0.00 0.00 0.00 173.10 175.43 2bxy h PRO 220 N -2.14 0.00 -4.31 2.90 0.13 -1.89 -3.41 132.00 123.28 2bxy h PRO 220 Ca -0.49 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 2bxy h PRO 220 Cb 1.29 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.08 2bxy h PRO 220 CO 0.43 0.00 -0.80 0.45 -0.23 0.00 0.00 178.00 177.86 2bxy s SER 221 N -4.54 1.59 0.00 1.44 0.15 -1.26 -4.81 113.70 106.26 2bxy s SER 221 Ca 0.07 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2bxy s SER 221 Cb 0.10 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2bxy s SER 221 CO 0.51 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2bxy n GLY 222 N 4.11 0.59 3.41 9.45 0.00 -1.26 -4.35 105.19 117.14 2bxy n GLY 222 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 2bxy n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bxy s ASN 223 N -2.87 6.20 -0.07 1.61 2.47 -1.26 -4.57 114.94 116.45 2bxy s ASN 223 Ca 0.00 -1.14 0.19 0.00 0.42 0.00 0.00 52.86 52.33 2bxy s ASN 223 Cb 0.00 -2.28 0.66 0.00 -1.45 0.00 0.00 41.25 38.18 2bxy s ASN 223 CO 0.00 -0.93 1.57 -1.22 -3.72 0.00 0.00 177.10 172.80 2bxy n TYR 224 N 6.08 1.24 -0.29 0.43 4.01 -1.26 -4.59 117.16 122.77 2bxy n TYR 224 Ca -0.08 -0.58 0.04 0.00 -0.16 0.00 0.00 57.90 57.12 2bxy n TYR 224 Cb 0.44 -0.16 0.25 0.00 -0.31 0.00 0.00 39.34 39.57 2bxy n TYR 224 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2bxy h LEU 225 N 3.90 0.88 -1.87 7.72 3.38 -1.93 -1.05 115.31 126.34 2bxy h LEU 225 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2bxy h LEU 225 Cb 1.26 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2bxy h LEU 225 CO 0.14 0.56 -0.12 0.28 0.09 0.00 0.00 178.44 179.39 2bxy h SER 226 N 0.99 0.00 0.24 -0.43 0.02 -1.81 -0.42 113.55 112.14 2bxy h SER 226 Ca 0.38 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.30 2bxy h SER 226 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2bxy h SER 226 CO -0.15 0.12 -0.18 0.28 -1.14 0.00 0.00 176.83 175.77 2bxy h SER 227 N 0.00 0.00 0.00 3.07 0.02 -1.53 -3.12 113.55 112.00 2bxy h SER 227 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2bxy h SER 227 Cb 0.26 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2bxy h SER 227 CO 0.02 0.18 -1.08 1.88 -1.14 0.00 0.00 176.83 176.69 2bxy h TYR 228 N 0.00 0.01 -1.92 3.45 0.05 -1.21 -3.46 116.97 113.89 2bxy h TYR 228 Ca -0.00 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.63 2bxy h TYR 228 Cb 0.35 -0.00 -0.29 0.00 1.01 0.00 0.00 36.73 37.80 2bxy h TYR 228 CO 0.00 1.42 -0.47 0.00 -1.05 0.00 0.00 178.16 178.06 2bxy s ALA 229 N -2.34 -1.11 0.60 3.88 0.00 -0.31 -1.41 121.76 121.06 2bxy s ALA 229 Ca -0.27 0.96 0.30 0.00 0.00 0.00 0.00 51.96 52.94 2bxy s ALA 229 Cb 0.05 -1.66 1.70 0.00 0.00 0.00 0.00 23.12 23.21 2bxy s ALA 229 CO 0.61 -1.23 2.11 -1.35 0.00 0.00 0.00 175.76 175.90 2bxy h PRO 230 N 8.18 0.00 0.00 0.00 0.11 -1.78 -2.27 132.00 136.23 2bxy h PRO 230 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2bxy h PRO 230 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2bxy h PRO 230 CO 0.26 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.92 2bxy n SER 231 N -3.73 0.00 0.27 -2.05 3.41 -1.26 -1.68 113.62 108.57 2bxy n SER 231 Ca 0.01 -0.30 0.16 0.00 -0.26 0.00 0.00 58.87 58.49 2bxy n SER 231 Cb 0.31 -0.15 0.90 0.00 -0.26 0.00 0.00 64.21 65.01 2bxy n SER 231 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2bxy h TYR 232 N 0.00 0.00 -2.31 7.33 0.05 -1.75 -3.45 116.97 116.84 2bxy h TYR 232 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.20 2bxy h TYR 232 Cb 0.10 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.70 2bxy h TYR 232 CO 0.00 0.00 -0.74 -0.06 -1.05 0.00 0.00 178.16 176.31 2bxy s PHE 233 N -4.58 2.19 0.05 4.88 0.08 -0.68 -1.04 117.98 118.87 2bxy s PHE 233 Ca -0.05 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.63 2bxy s PHE 233 Cb 0.15 -1.02 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 2bxy s PHE 233 CO 0.53 0.61 -0.14 -0.08 -0.10 0.00 0.00 175.22 176.04 2bxy s THR 234 N -2.64 1.09 -2.34 0.64 -1.32 -0.27 -4.71 115.64 106.10 2bxy s THR 234 Ca 0.29 -1.08 0.29 0.00 -1.21 0.00 0.00 61.69 59.98 2bxy s THR 234 Cb -0.03 -1.01 0.67 0.00 -1.51 0.00 0.00 72.50 70.62 2bxy s THR 234 CO 0.14 -0.07 1.90 -0.90 -2.21 0.00 0.00 174.62 173.47 2bxy n ASP 235 N 1.71 1.01 -0.30 8.08 5.68 -1.26 -2.25 116.55 129.22 2bxy n ASP 235 Ca -0.19 -1.34 -0.04 0.00 -0.50 0.00 0.00 54.79 52.72 2bxy n ASP 235 Cb 0.55 -0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.63 2bxy n ASP 235 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2bxy h ARG 236 N 1.59 1.20 -4.02 0.11 2.43 -1.95 -3.45 114.38 110.29 2bxy h ARG 236 Ca 0.00 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.90 2bxy h ARG 236 Cb 0.34 -0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 29.52 2bxy h ARG 236 CO 0.00 0.90 -0.49 -0.59 -1.51 0.00 0.00 179.97 178.28 2bxy s PHE 237 N -5.74 0.38 0.27 2.20 -0.12 -1.26 -5.11 117.98 108.61 2bxy s PHE 237 Ca -0.12 -0.83 0.12 0.00 -0.05 0.00 0.00 56.93 56.04 2bxy s PHE 237 Cb 0.17 -0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.30 2bxy s PHE 237 CO 0.83 -0.52 -0.19 -1.12 -0.05 0.00 0.00 175.22 174.17 2bxy s SER 238 N -2.92 3.64 0.33 1.98 0.01 -1.26 -1.38 113.70 114.10 2bxy s SER 238 Ca 0.10 -1.00 0.05 0.00 1.31 0.00 0.00 55.95 56.41 2bxy s SER 238 Cb 0.06 -0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.01 2bxy s SER 238 CO -0.08 0.04 0.45 -1.20 0.41 0.00 0.00 173.24 172.86 2bxy n SER 239 N -0.59 1.14 -0.26 2.44 7.64 -0.08 -4.65 113.62 119.27 2bxy n SER 239 Ca -0.05 -1.84 0.09 0.00 1.01 0.00 0.00 58.87 58.07 2bxy n SER 239 Cb 0.60 -0.24 0.34 0.00 -1.01 0.00 0.00 64.21 63.89 2bxy n SER 239 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bxy h ALA 240 N 0.26 1.72 0.00 -0.43 0.00 -1.94 -3.32 119.26 115.55 2bxy h ALA 240 Ca -0.15 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2bxy h ALA 240 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2bxy h ALA 240 CO 0.21 0.09 -1.72 0.91 0.00 0.00 0.00 179.25 178.74 2bxy n TRP 241 N -4.53 0.00 0.00 0.00 7.02 -1.26 -5.12 117.44 113.55 2bxy n TRP 241 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2bxy n TRP 241 Cb 0.35 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.78 2bxy n TRP 241 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2bxy n GLY 242 N 2.04 -1.95 3.72 6.99 0.00 -1.25 -4.85 105.19 109.89 2bxy n GLY 242 Ca -0.12 0.61 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 2bxy n GLY 242 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bxy s GLY 244 N 0.00 1.70 -0.12 -0.02 0.00 -0.48 -0.90 107.32 107.51 2bxy s GLY 244 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 2bxy s GLY 244 CO 0.00 -1.36 1.16 1.08 0.00 0.00 0.00 173.10 173.98 2bxy s LEU 245 N -3.11 4.22 -0.71 0.66 1.02 -1.26 -1.11 118.68 118.39 2bxy s LEU 245 Ca 0.29 1.67 -0.21 0.00 0.02 0.00 0.00 54.13 55.90 2bxy s LEU 245 Cb -0.09 -3.55 0.09 0.00 0.02 0.00 0.00 46.19 42.65 2bxy s LEU 245 CO 0.21 -0.61 0.98 -0.62 0.02 0.00 0.00 176.35 176.32 2bxy s ASP 246 N 1.49 6.27 0.00 2.29 -1.08 -0.21 -4.79 116.67 120.64 2bxy s ASP 246 Ca 0.53 -1.25 0.28 0.00 -0.52 0.00 0.00 52.55 51.58 2bxy s ASP 246 Cb -0.21 -2.41 1.57 0.00 -1.46 0.00 0.00 42.92 40.41 2bxy s ASP 246 CO 0.17 -1.34 1.99 -1.22 0.52 0.00 0.00 175.17 175.30 2bxy n TYR 247 N 7.37 0.00 0.31 -5.34 4.01 -1.26 -1.65 117.16 120.60 2bxy n TYR 247 Ca 0.02 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.91 2bxy n TYR 247 Cb 0.46 -0.11 0.48 0.00 -0.31 0.00 0.00 39.34 39.86 2bxy n TYR 247 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bxy h ALA 248 N 3.58 1.00 -2.23 -0.72 0.00 -1.89 -3.44 119.26 115.56 2bxy h ALA 248 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 2bxy h ALA 248 Cb 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.73 2bxy h ALA 248 CO 0.00 0.00 0.08 -2.00 0.00 0.00 0.00 179.25 177.33 2bxy s GLU 249 N -3.43 3.31 0.49 0.00 2.56 -0.66 -4.98 118.70 115.99 2bxy s GLU 249 Ca 0.04 -0.37 0.23 0.00 0.00 0.00 0.00 54.97 54.87 2bxy s GLU 249 Cb 0.08 -3.93 1.28 0.00 2.00 0.00 0.00 34.13 33.55 2bxy s GLU 249 CO 0.56 -0.95 1.92 -1.35 -0.56 0.00 0.00 175.26 174.88 2bxy h PRO 250 N 8.81 0.17 -1.27 4.30 0.11 -1.86 -1.36 132.00 140.90 2bxy h PRO 250 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2bxy h PRO 250 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2bxy h PRO 250 CO 0.87 0.11 0.00 0.72 -0.21 0.00 0.00 178.00 179.50 2bxy n HIS 251 N -4.40 0.00 0.00 0.65 8.25 -1.26 -0.59 115.22 117.87 2bxy n HIS 251 Ca 0.15 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2bxy n HIS 251 Cb 0.71 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2bxy n HIS 251 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2bxy n ARG 253 N 0.66 0.00 0.22 -0.41 1.74 -0.51 -1.23 116.66 117.14 2bxy n ARG 253 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 2bxy n ARG 253 Cb 0.17 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 32.12 2bxy n ARG 253 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bxy h ARG 254 N 0.00 0.00 -0.42 5.56 3.08 -1.12 -1.25 114.38 120.22 2bxy h ARG 254 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2bxy h ARG 254 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2bxy h ARG 254 CO 0.00 0.24 0.21 -0.92 -1.07 0.00 0.00 179.97 178.42 2bxy h TYR 255 N 0.00 0.38 0.12 3.04 3.20 -1.41 0.91 116.97 123.21 2bxy h TYR 255 Ca -0.00 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.59 2bxy h TYR 255 Cb 0.65 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 2bxy h TYR 255 CO 0.00 0.20 -1.44 -0.39 -1.64 0.00 0.00 178.16 174.88 2bxy h VAL 256 N 0.42 1.26 -0.30 1.81 -1.51 -1.75 -2.58 116.25 113.60 2bxy h VAL 256 Ca 0.18 -2.88 -0.14 0.00 -1.23 0.00 0.00 66.70 62.64 2bxy h VAL 256 Cb 0.09 2.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 2bxy h VAL 256 CO -0.13 0.84 -0.37 0.71 -1.23 0.00 0.00 177.57 177.39 2bxy h THR 257 N 0.07 1.29 -0.74 7.19 1.35 -1.21 -0.59 112.91 120.26 2bxy h THR 257 Ca -0.21 -1.53 0.06 0.00 -0.55 0.00 0.00 66.41 64.18 2bxy h THR 257 Cb 2.00 1.46 -0.06 0.00 -1.73 0.00 0.00 68.15 69.82 2bxy h THR 257 CO 0.17 0.49 0.44 1.23 -0.25 0.00 0.00 175.52 177.60 2bxy h GLY 258 N 0.98 1.10 0.81 5.82 0.00 -0.92 -1.63 103.07 109.22 2bxy h GLY 258 Ca 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2bxy h GLY 258 CO 0.08 0.21 0.01 -0.57 0.00 0.00 0.00 176.54 176.26 2bxy h ASN 259 N 0.81 0.30 -0.42 0.19 -0.73 -1.08 -3.08 115.58 111.57 2bxy h ASN 259 Ca 0.32 -0.30 0.06 0.00 1.87 0.00 0.00 56.30 58.26 2bxy h ASN 259 Cb 0.17 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.62 2bxy h ASN 259 CO -0.17 0.53 0.11 0.00 -0.37 0.00 0.00 177.43 177.53 2bxy h ALA 260 N 0.79 0.48 0.00 1.57 0.00 -0.97 -1.90 119.26 119.23 2bxy h ALA 260 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bxy h ALA 260 Cb 0.37 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2bxy h ALA 260 CO 0.01 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.51 2bxy n ARG 261 N -5.06 0.09 0.00 0.00 1.74 -0.63 -2.21 116.66 110.59 2bxy n ARG 261 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2bxy n ARG 261 Cb 0.18 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2bxy n ARG 261 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2bxy n TRP 263 N 0.87 0.00 0.04 -1.55 5.03 -0.72 -0.56 117.44 120.55 2bxy n TRP 263 Ca 0.00 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.41 2bxy n TRP 263 Cb 0.04 0.00 -0.09 0.00 -1.03 0.00 0.00 31.31 30.24 2bxy n TRP 263 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 2bxy h LEU 264 N 0.00 -0.14 0.02 -0.99 3.38 -1.68 -2.38 115.31 113.52 2bxy h LEU 264 Ca 0.00 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2bxy h LEU 264 Cb 0.00 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2bxy h LEU 264 CO 0.00 0.38 -0.01 -0.09 0.09 0.00 0.00 178.44 178.81 2bxy h ARG 265 N -0.72 -0.03 0.10 1.13 2.43 -1.09 -2.54 114.38 113.66 2bxy h ARG 265 Ca -0.02 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.89 2bxy h ARG 265 Cb 0.53 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2bxy h ARG 265 CO 0.03 0.71 -1.23 -0.44 -1.51 0.00 0.00 179.97 177.53 2bxy h ASP 266 N -0.90 0.34 -0.11 -3.80 3.32 -1.75 -3.30 116.42 110.22 2bxy h ASP 266 Ca -0.00 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2bxy h ASP 266 Cb 0.75 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2bxy h ASP 266 CO 0.00 1.30 0.00 -1.22 -1.72 0.00 0.00 179.24 177.60 2bxy n TYR 267 N -3.49 0.12 -1.63 4.55 4.01 -1.12 -5.01 117.16 114.60 2bxy n TYR 267 Ca -0.08 -0.07 -0.18 0.00 -0.16 0.00 0.00 57.90 57.41 2bxy n TYR 267 Cb 1.01 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.97 2bxy n TYR 267 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2bxy n HIS 268 N 1.18 -0.11 -1.72 -0.72 8.25 -0.96 -4.86 115.22 116.28 2bxy n HIS 268 Ca 0.13 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.21 2bxy n HIS 268 Cb 0.52 -3.15 0.05 0.00 1.12 0.00 0.00 29.99 28.53 2bxy n HIS 268 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2bxy n PHE 269 N -2.68 1.96 0.86 4.41 3.72 -0.91 -4.90 117.46 119.92 2bxy n PHE 269 Ca -0.19 0.43 0.12 0.00 -0.05 0.00 0.00 57.45 57.77 2bxy n PHE 269 Cb 0.60 -2.30 0.20 0.00 -0.94 0.00 0.00 39.48 37.04 2bxy n PHE 269 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bxy n ASP 270 N -1.11 0.57 0.00 4.37 8.00 0.28 -4.53 116.55 124.12 2bxy n ASP 270 Ca 0.12 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2bxy n ASP 270 Cb 0.45 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2bxy n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bxy n GLY 271 N 1.45 0.60 3.20 0.44 0.00 -1.24 -1.36 105.19 108.28 2bxy n GLY 271 Ca 0.05 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 2bxy n GLY 271 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bxy s LEU 272 N 0.00 2.11 -0.36 0.99 1.43 -0.44 -1.50 118.68 120.92 2bxy s LEU 272 Ca 0.00 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 2bxy s LEU 272 Cb 0.00 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.34 2bxy s LEU 272 CO 0.00 0.17 0.18 -0.60 0.23 0.00 0.00 176.35 176.33 2bxy s ARG 273 N -0.83 2.87 -0.46 1.70 3.00 0.51 -0.56 118.95 125.19 2bxy s ARG 273 Ca 0.06 -1.04 -0.26 0.00 -1.00 0.00 0.00 55.73 53.50 2bxy s ARG 273 Cb -0.08 -3.65 0.03 0.00 0.00 0.00 0.00 34.95 31.25 2bxy s ARG 273 CO 0.01 -0.64 0.95 -0.51 0.00 0.00 0.00 175.30 175.11 2bxy s LEU 274 N 1.53 3.96 0.33 -0.88 1.43 0.80 -0.96 118.68 124.89 2bxy s LEU 274 Ca 0.02 0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 2bxy s LEU 274 Cb -0.19 -3.25 -0.11 0.00 0.03 0.00 0.00 46.19 42.68 2bxy s LEU 274 CO 0.06 -1.07 1.43 -0.62 0.23 0.00 0.00 176.35 176.37 2bxy s ASP 275 N 2.28 6.55 -1.29 2.29 2.15 -0.06 -1.06 116.67 127.53 2bxy s ASP 275 Ca 0.39 2.85 -0.21 0.00 0.43 0.00 0.00 52.55 56.00 2bxy s ASP 275 Cb -0.10 -2.65 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 2bxy s ASP 275 CO 0.27 -0.73 0.54 0.00 -0.17 0.00 0.00 175.17 175.07 2bxy n ALA 276 N 1.10 -2.41 0.29 3.66 0.00 -1.17 -4.47 120.51 117.50 2bxy n ALA 276 Ca 0.02 -0.45 0.16 0.00 0.00 0.00 0.00 53.44 53.17 2bxy n ALA 276 Cb 0.40 -2.42 0.92 0.00 0.00 0.00 0.00 19.45 18.35 2bxy n ALA 276 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2bxy h THR 277 N -2.25 0.50 0.00 0.00 1.35 -1.53 -1.62 112.91 109.36 2bxy h THR 277 Ca -0.69 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2bxy h THR 277 Cb 1.39 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2bxy h THR 277 CO 0.56 0.00 -0.00 -0.65 -0.25 0.00 0.00 175.52 175.18 2bxy h PRO 278 N 0.00 0.00 -3.92 4.72 0.11 -1.89 -3.44 132.00 127.58 2bxy h PRO 278 Ca 0.01 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.34 2bxy h PRO 278 Cb 0.06 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 30.92 2bxy h PRO 278 CO -0.00 0.00 0.16 0.71 -0.21 0.00 0.00 178.00 178.67 2bxy s TYR 279 N -4.04 3.72 -0.30 0.65 2.02 -0.61 -5.05 117.35 113.75 2bxy s TYR 279 Ca -0.03 -1.96 -0.17 0.00 -0.37 0.00 0.00 57.07 54.54 2bxy s TYR 279 Cb 0.12 -3.86 0.21 0.00 -0.40 0.00 0.00 41.96 38.04 2bxy s TYR 279 CO 0.45 -1.03 1.29 0.99 -1.57 0.00 0.00 175.55 175.67 2bxy s THR 281 N 0.33 -0.01 -0.27 -0.71 2.01 -1.26 -4.79 115.64 110.95 2bxy s THR 281 Ca 0.19 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 2bxy s THR 281 Cb -0.10 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.53 2bxy s THR 281 CO -0.09 0.00 0.59 -0.62 -0.69 0.00 0.00 174.62 173.81 2bxy s ASP 282 N 1.18 -0.92 -0.04 3.53 2.15 -1.26 -4.34 116.67 116.96 2bxy s ASP 282 Ca -0.07 1.43 0.20 0.00 0.43 0.00 0.00 52.55 54.55 2bxy s ASP 282 Cb -0.02 2.02 0.65 0.00 -0.30 0.00 0.00 42.92 45.28 2bxy s ASP 282 CO -0.10 -0.22 1.55 0.47 -0.17 0.00 0.00 175.17 176.70 2bxy n ASP 283 N 5.37 4.18 -4.72 -0.34 8.00 -1.26 -4.91 116.55 122.88 2bxy n ASP 283 Ca -0.12 -2.17 -0.36 0.00 0.71 0.00 0.00 54.79 52.85 2bxy n ASP 283 Cb 0.50 -0.51 0.09 0.00 -0.02 0.00 0.00 41.12 41.18 2bxy n ASP 283 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bxy s SER 284 N -0.98 4.25 0.16 -2.24 0.01 -1.26 -4.93 113.70 108.70 2bxy s SER 284 Ca 0.48 2.53 -0.21 0.00 1.31 0.00 0.00 55.95 60.07 2bxy s SER 284 Cb 0.27 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.95 2bxy s SER 284 CO 0.29 -2.24 1.64 -0.08 0.41 0.00 0.00 173.24 173.26 2bxy h GLU 285 N 0.04 -0.16 -5.04 12.44 4.81 -2.00 -3.32 114.58 121.34 2bxy h GLU 285 Ca -0.49 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.10 2bxy h GLU 285 Cb 1.32 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.58 2bxy h GLU 285 CO 0.51 -0.11 -0.23 0.99 -0.73 0.00 0.00 179.01 179.44 2bxy s THR 286 N -6.12 5.14 0.48 0.32 2.01 -1.26 -5.04 115.64 111.16 2bxy s THR 286 Ca -0.14 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 2bxy s THR 286 Cb 0.13 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 2bxy s THR 286 CO 0.69 -0.08 1.19 -2.28 -0.69 0.00 0.00 174.62 173.45 2bxy s HIS 287 N 2.10 2.76 0.42 4.92 2.46 -1.25 -4.82 115.29 121.89 2bxy s HIS 287 Ca 0.14 1.52 0.18 0.00 0.47 0.00 0.00 55.06 57.36 2bxy s HIS 287 Cb -0.16 -3.43 1.09 0.00 -0.13 0.00 0.00 32.58 29.95 2bxy s HIS 287 CO 0.12 -1.71 1.86 0.97 -2.47 0.00 0.00 174.74 173.51 2bxy h ILE 288 N 1.71 0.69 -0.62 0.89 6.09 -1.91 -0.16 117.51 124.19 2bxy h ILE 288 Ca -0.50 -0.14 -0.06 0.00 -1.37 0.00 0.00 64.86 62.80 2bxy h ILE 288 Cb 1.26 0.25 -0.03 0.00 0.47 0.00 0.00 36.82 38.77 2bxy h ILE 288 CO 0.59 0.07 0.15 -0.07 -3.07 0.00 0.00 178.15 175.83 2bxy h LEU 289 N 0.40 0.95 -0.33 2.19 3.38 -1.94 0.24 115.31 120.19 2bxy h LEU 289 Ca 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2bxy h LEU 289 Cb 1.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2bxy h LEU 289 CO -0.17 0.94 0.13 0.74 0.09 0.00 0.00 178.44 180.17 2bxy h THR 290 N 0.92 1.18 -0.52 0.22 2.02 -1.25 -1.82 112.91 113.67 2bxy h THR 290 Ca 0.20 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 2bxy h THR 290 Cb 0.36 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2bxy h THR 290 CO 0.00 0.20 0.01 -0.08 0.37 0.00 0.00 175.52 176.02 2bxy h GLU 291 N 0.39 0.86 -0.32 6.66 4.81 -0.92 -0.45 114.58 125.61 2bxy h GLU 291 Ca 0.11 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2bxy h GLU 291 Cb 0.18 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2bxy h GLU 291 CO -0.01 0.85 0.09 -0.07 -0.73 0.00 0.00 179.01 179.14 2bxy h LEU 292 N 0.80 0.07 -0.69 1.64 3.38 -0.36 0.99 115.31 121.14 2bxy h LEU 292 Ca 0.16 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2bxy h LEU 292 Cb 0.46 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2bxy h LEU 292 CO 0.02 0.07 0.35 0.00 0.09 0.00 0.00 178.44 178.98 2bxy h ALA 293 N 1.22 0.88 -0.23 1.53 0.00 -0.88 -0.77 119.26 121.02 2bxy h ALA 293 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2bxy h ALA 293 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2bxy h ALA 293 CO -0.17 0.42 0.06 1.96 0.00 0.00 0.00 179.25 181.52 2bxy h GLN 294 N 0.95 0.15 -0.40 0.00 4.20 -0.56 0.45 115.11 119.90 2bxy h GLN 294 Ca 0.24 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2bxy h GLN 294 Cb 0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2bxy h GLN 294 CO -0.03 0.10 0.06 0.93 -0.67 0.00 0.00 178.83 179.22 2bxy h GLU 295 N 0.15 0.60 0.03 1.46 4.39 -0.55 -0.98 114.58 119.68 2bxy h GLU 295 Ca 0.10 -0.12 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 2bxy h GLU 295 Cb 0.09 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2bxy h GLU 295 CO -0.13 0.58 -0.93 0.82 -1.16 0.00 0.00 179.01 178.20 2bxy h ILE 296 N 0.58 1.34 -0.30 3.13 2.04 -0.83 -3.14 117.51 120.34 2bxy h ILE 296 Ca 0.13 -2.24 0.09 0.00 1.00 0.00 0.00 64.86 63.83 2bxy h ILE 296 Cb 0.28 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2bxy h ILE 296 CO 0.00 0.68 0.23 0.45 0.00 0.00 0.00 178.15 179.51 2bxy h HIS 297 N 0.17 0.00 -0.04 1.37 3.86 0.32 -2.69 115.15 118.15 2bxy h HIS 297 Ca -0.12 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.97 2bxy h HIS 297 Cb 1.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.07 2bxy h HIS 297 CO 0.12 0.00 -0.52 1.49 0.86 0.00 0.00 177.93 179.88 2bxy h GLU 298 N 0.00 0.10 0.00 2.45 4.22 -1.14 -2.45 114.58 117.76 2bxy h GLU 298 Ca 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2bxy h GLU 298 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2bxy h GLU 298 CO -0.00 0.60 0.27 -0.07 -2.18 0.00 0.00 179.01 177.62 2bxy h LEU 299 N 0.08 0.00 0.17 1.64 3.38 -1.55 -3.46 115.31 115.57 2bxy h LEU 299 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2bxy h LEU 299 Cb 0.95 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.73 2bxy h LEU 299 CO 0.07 0.00 -0.33 0.61 0.09 0.00 0.00 178.44 178.88 2bxy n GLY 300 N -1.21 0.04 0.00 0.83 0.00 -0.92 -5.03 105.19 98.90 2bxy n GLY 300 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2bxy n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bxy n GLY 301 N -1.18 5.66 0.57 -0.02 0.00 -1.26 -5.07 105.19 103.88 2bxy n GLY 301 Ca -0.05 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.09 2bxy n GLY 301 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bxy n THR 302 N 0.00 1.88 -1.88 2.61 -2.24 -1.26 -5.04 114.28 108.35 2bxy n THR 302 Ca 0.00 -2.75 -0.39 0.00 -2.27 0.00 0.00 64.05 58.64 2bxy n THR 302 Cb 0.00 -0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.14 2bxy n THR 302 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2bxy s HIS 303 N -2.78 2.49 0.16 4.78 4.02 -1.26 -4.65 115.29 118.04 2bxy s HIS 303 Ca 0.35 1.36 0.06 0.00 1.02 0.00 0.00 55.06 57.85 2bxy s HIS 303 Cb 0.34 -3.78 -0.04 0.00 -1.02 0.00 0.00 32.58 28.09 2bxy s HIS 303 CO -0.06 -2.63 0.05 -0.51 1.02 0.00 0.00 174.74 172.61 2bxy s LEU 304 N -3.02 3.52 -0.11 0.89 1.43 -0.47 -4.96 118.68 115.96 2bxy s LEU 304 Ca 0.65 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2bxy s LEU 304 Cb -0.40 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2bxy s LEU 304 CO 0.49 0.09 -0.15 -0.76 0.23 0.00 0.00 176.35 176.26 2bxy s LEU 305 N -2.91 1.70 -0.11 1.79 1.43 -1.26 -1.32 118.68 118.00 2bxy s LEU 305 Ca 0.29 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2bxy s LEU 305 Cb -0.10 -1.08 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 2bxy s LEU 305 CO 0.20 0.01 -0.22 -0.76 0.23 0.00 0.00 176.35 175.81 2bxy s LEU 306 N 1.03 2.18 -0.10 1.79 2.01 0.27 -0.10 118.68 125.76 2bxy s LEU 306 Ca -0.06 -0.53 -0.15 0.00 0.01 0.00 0.00 54.13 53.41 2bxy s LEU 306 Cb -0.15 -1.44 -0.05 0.00 0.01 0.00 0.00 46.19 44.56 2bxy s LEU 306 CO -0.02 0.16 0.36 0.00 1.01 0.00 0.00 176.35 177.86 2bxy s ALA 307 N 0.36 3.61 -0.70 4.21 0.00 -0.29 -0.14 121.76 128.80 2bxy s ALA 307 Ca -0.17 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 2bxy s ALA 307 Cb -0.18 -2.42 0.09 0.00 0.00 0.00 0.00 23.12 20.61 2bxy s ALA 307 CO 0.08 0.22 0.96 -2.00 0.00 0.00 0.00 175.76 175.02 2bxy s GLU 308 N -0.06 3.20 -0.04 0.00 2.12 -0.22 -0.30 118.70 123.40 2bxy s GLU 308 Ca 0.21 -1.09 -0.01 0.00 0.36 0.00 0.00 54.97 54.43 2bxy s GLU 308 Cb -0.15 -4.38 0.03 0.00 0.26 0.00 0.00 34.13 29.90 2bxy s GLU 308 CO 0.08 -1.77 0.06 0.34 -0.54 0.00 0.00 175.26 173.44 2bxy s ASP 309 N 3.67 0.45 0.00 -1.70 -1.08 -1.24 -1.90 116.67 114.86 2bxy s ASP 309 Ca 0.23 0.11 0.26 0.00 -0.52 0.00 0.00 52.55 52.62 2bxy s ASP 309 Cb -0.16 -0.03 0.72 0.00 -1.46 0.00 0.00 42.92 42.00 2bxy s ASP 309 CO 0.06 -0.18 1.56 0.00 0.52 0.00 0.00 175.17 177.12 2bxy n HIS 310 N 4.64 0.04 1.18 -5.34 1.44 -1.26 -4.37 115.22 111.55 2bxy n HIS 310 Ca -0.18 -0.02 0.14 0.00 -2.01 0.00 0.00 57.72 55.65 2bxy n HIS 310 Cb 0.50 0.00 0.67 0.00 0.12 0.00 0.00 29.99 31.28 2bxy n HIS 310 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2bxy n ARG 311 N 0.62 0.21 -3.52 -1.40 1.74 -1.26 -4.92 116.66 108.12 2bxy n ARG 311 Ca 0.17 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 2bxy n ARG 311 Cb 0.44 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.43 2bxy n ARG 311 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2bxy n ASN 312 N -1.39 -5.46 -3.97 0.55 3.02 -1.26 -3.33 115.26 103.42 2bxy n ASN 312 Ca 0.10 -0.89 -0.31 0.00 -0.03 0.00 0.00 54.58 53.46 2bxy n ASN 312 Cb 0.28 -4.12 -0.15 0.00 -0.61 0.00 0.00 39.78 35.18 2bxy n ASN 312 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2bxy s LEU 313 N -6.09 3.84 0.57 3.41 2.96 -1.26 -1.51 118.68 120.60 2bxy s LEU 313 Ca 0.43 -1.83 0.34 0.00 -0.22 0.00 0.00 54.13 52.86 2bxy s LEU 313 Cb -0.12 -1.42 1.71 0.00 0.50 0.00 0.00 46.19 46.87 2bxy s LEU 313 CO 0.81 -0.34 2.14 -0.65 -1.32 0.00 0.00 176.35 176.99 2bxy h PRO 314 N 7.76 0.00 -0.31 0.98 0.11 -1.90 -2.86 132.00 135.79 2bxy h PRO 314 Ca -0.10 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.10 2bxy h PRO 314 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2bxy h PRO 314 CO 0.49 0.05 0.33 -0.44 -0.21 0.00 0.00 178.00 178.22 2bxy h ASP 315 N 0.00 0.00 -0.86 -2.05 5.19 -1.95 0.02 116.42 116.76 2bxy h ASP 315 Ca -0.00 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 2bxy h ASP 315 Cb 0.29 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.70 2bxy h ASP 315 CO 0.01 0.00 0.43 -0.07 -3.12 0.00 0.00 179.24 176.49 2bxy h LEU 316 N 0.00 0.48 0.00 1.55 3.38 -1.91 0.92 115.31 119.74 2bxy h LEU 316 Ca 0.15 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2bxy h LEU 316 Cb 0.81 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2bxy h LEU 316 CO -0.00 0.16 -0.76 0.58 0.09 0.00 0.00 178.44 178.51 2bxy h VAL 317 N 0.57 1.17 0.00 1.22 2.07 -1.21 -1.79 116.25 118.27 2bxy h VAL 317 Ca 0.49 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2bxy h VAL 317 Cb 0.77 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2bxy h VAL 317 CO -0.41 0.40 -0.24 0.71 0.02 0.00 0.00 177.57 178.05 2bxy h THR 318 N -1.00 0.00 0.00 2.57 1.35 -1.24 -2.43 112.91 112.16 2bxy h THR 318 Ca -0.21 -0.92 -0.04 0.00 -0.55 0.00 0.00 66.41 64.69 2bxy h THR 318 Cb 1.14 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 2bxy h THR 318 CO -0.13 0.00 -1.14 0.52 -0.25 0.00 0.00 175.52 174.52 2bxy n VAL 319 N -2.87 0.14 0.61 6.82 0.31 0.14 -4.69 118.33 118.79 2bxy n VAL 319 Ca 0.03 -0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.45 2bxy n VAL 319 Cb 0.52 -1.50 0.44 0.00 -0.91 0.00 0.00 33.84 32.39 2bxy n VAL 319 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2bxy n ASN 320 N -3.09 0.70 -2.22 4.52 5.03 -0.18 -4.93 115.26 115.09 2bxy n ASN 320 Ca -0.05 0.59 -0.18 0.00 0.87 0.00 0.00 54.58 55.80 2bxy n ASN 320 Cb 0.54 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 2bxy n ASN 320 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2bxy n HIS 321 N -2.18 -1.13 -1.46 3.10 8.25 -0.92 -4.22 115.22 116.66 2bxy n HIS 321 Ca 0.05 0.15 -0.30 0.00 -0.26 0.00 0.00 57.72 57.36 2bxy n HIS 321 Cb 0.38 -3.70 0.10 0.00 1.12 0.00 0.00 29.99 27.88 2bxy n HIS 321 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bxy s LEU 322 N -5.34 2.61 0.06 2.41 1.43 -0.69 -4.94 118.68 114.22 2bxy s LEU 322 Ca 0.09 1.41 0.16 0.00 -1.03 0.00 0.00 54.13 54.76 2bxy s LEU 322 Cb -0.04 -4.01 -0.14 0.00 0.03 0.00 0.00 46.19 42.03 2bxy s LEU 322 CO 0.11 -2.06 0.83 0.44 0.23 0.00 0.00 176.35 175.90 2bxy h ASP 323 N -1.15 0.00 -5.80 2.29 3.32 -0.81 -3.38 116.42 110.88 2bxy h ASP 323 Ca -0.47 0.00 0.33 0.00 0.02 0.00 0.00 57.03 56.91 2bxy h ASP 323 Cb 1.26 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.71 2bxy h ASP 323 CO 0.58 0.61 0.86 -0.83 -1.72 0.00 0.00 179.24 178.73 2bxy s GLY 324 N -4.81 -0.31 -0.03 2.75 0.00 -1.20 -4.50 107.32 99.22 2bxy s GLY 324 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.16 2bxy s GLY 324 CO 0.81 2.01 0.01 -0.42 0.00 0.00 0.00 173.10 175.51 2bxy s ILE 325 N -2.26 0.10 -0.29 0.90 1.01 0.01 -1.14 121.20 119.53 2bxy s ILE 325 Ca 0.19 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 2bxy s ILE 325 Cb 0.03 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.26 2bxy s ILE 325 CO -0.03 0.13 1.76 0.26 0.00 0.00 0.00 174.94 177.06 2bxy s TRP 326 N 1.10 1.86 -0.19 3.97 0.52 0.59 -0.77 118.94 126.03 2bxy s TRP 326 Ca -0.09 0.57 0.00 0.00 0.02 0.00 0.00 56.10 56.61 2bxy s TRP 326 Cb -0.13 -4.10 0.01 0.00 -1.15 0.00 0.00 33.47 28.10 2bxy s TRP 326 CO -0.02 -3.02 -0.17 -0.08 0.02 0.00 0.00 176.95 173.67 2bxy s THR 327 N 6.41 2.30 -1.19 2.01 -1.32 -0.89 -3.65 115.64 119.32 2bxy s THR 327 Ca 0.78 -0.86 0.27 0.00 -1.21 0.00 0.00 61.69 60.67 2bxy s THR 327 Cb -0.24 -1.98 0.16 0.00 -1.51 0.00 0.00 72.50 68.93 2bxy s THR 327 CO 0.33 0.52 1.63 0.47 -2.21 0.00 0.00 174.62 175.35 2bxy n ASP 328 N 4.64 0.43 -0.30 8.08 8.00 -1.26 -4.20 116.55 131.94 2bxy n ASP 328 Ca -0.20 -0.20 0.05 0.00 0.71 0.00 0.00 54.79 55.15 2bxy n ASP 328 Cb 0.50 0.01 0.20 0.00 -0.02 0.00 0.00 41.12 41.81 2bxy n ASP 328 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2bxy h ASP 329 N 0.23 0.67 0.03 -2.24 3.32 -1.94 0.92 116.42 117.39 2bxy h ASP 329 Ca 0.00 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2bxy h ASP 329 Cb 0.48 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2bxy h ASP 329 CO 0.00 0.35 -0.01 0.15 -1.72 0.00 0.00 179.24 178.00 2bxy h PHE 330 N 0.76 -0.03 -0.25 4.55 3.57 -1.85 -0.45 116.94 123.24 2bxy h PHE 330 Ca 0.43 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.99 2bxy h PHE 330 Cb 0.48 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 2bxy h PHE 330 CO -0.06 0.05 -0.15 1.25 -2.23 0.00 0.00 178.31 177.16 2bxy h HIS 331 N -0.11 -0.38 -0.34 0.41 2.76 -1.39 -0.95 115.15 115.15 2bxy h HIS 331 Ca -0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2bxy h HIS 331 Cb 0.10 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 2bxy h HIS 331 CO -0.05 -0.22 0.16 0.45 -1.30 0.00 0.00 177.93 176.96 2bxy h HIS 332 N -0.13 0.49 -0.58 5.26 3.86 -0.68 -0.30 115.15 123.07 2bxy h HIS 332 Ca 0.14 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2bxy h HIS 332 Cb 0.34 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2bxy h HIS 332 CO -0.33 0.43 0.37 1.49 0.86 0.00 0.00 177.93 180.75 2bxy h GLU 333 N 0.41 0.78 -0.03 2.45 4.57 -0.89 -0.95 114.58 120.92 2bxy h GLU 333 Ca 0.12 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2bxy h GLU 333 Cb 0.13 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2bxy h GLU 333 CO -0.01 0.54 -0.07 1.15 -1.18 0.00 0.00 179.01 179.44 2bxy h THR 334 N 0.79 0.82 -0.33 0.32 2.02 -0.97 -0.93 112.91 114.62 2bxy h THR 334 Ca 0.21 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 2bxy h THR 334 Cb -0.05 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2bxy h THR 334 CO -0.04 0.00 0.15 -0.09 0.37 0.00 0.00 175.52 175.90 2bxy h ARG 335 N -0.10 0.49 -0.85 6.66 2.43 -0.80 -2.11 114.38 120.10 2bxy h ARG 335 Ca 0.04 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2bxy h ARG 335 Cb 0.15 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2bxy h ARG 335 CO -0.09 0.47 0.50 0.28 -1.51 0.00 0.00 179.97 179.62 2bxy h VAL 336 N 0.40 1.24 -0.50 0.20 2.07 -1.15 0.21 116.25 118.71 2bxy h VAL 336 Ca 0.11 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.18 2bxy h VAL 336 Cb 0.15 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 2bxy h VAL 336 CO -0.01 0.25 0.11 0.74 0.02 0.00 0.00 177.57 178.69 2bxy h THR 337 N 1.17 0.74 0.00 2.57 2.02 -0.85 0.29 112.91 118.85 2bxy h THR 337 Ca 0.30 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.30 2bxy h THR 337 Cb -0.03 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2bxy h THR 337 CO -0.05 0.05 -0.61 -0.07 0.37 0.00 0.00 175.52 175.20 2bxy h LEU 338 N 0.25 0.00 0.00 2.58 3.38 -0.57 -3.40 115.31 117.55 2bxy h LEU 338 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2bxy h LEU 338 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2bxy h LEU 338 CO -0.32 0.40 -1.15 0.35 0.09 0.00 0.00 178.44 177.82 2bxy n THR 339 N -3.11 0.03 -0.89 0.22 -2.24 0.61 -4.46 114.28 104.45 2bxy n THR 339 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2bxy n THR 339 Cb 0.71 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2bxy n THR 339 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bxy n GLY 340 N 2.42 0.48 3.73 3.38 0.00 0.99 -5.00 105.19 111.19 2bxy n GLY 340 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2bxy n GLY 340 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bxy s GLU 341 N -0.55 2.40 -0.00 1.61 -1.05 -1.26 -4.97 118.70 114.88 2bxy s GLU 341 Ca 0.00 1.76 0.00 0.00 -0.15 0.00 0.00 54.97 56.58 2bxy s GLU 341 Cb 0.00 -1.86 0.01 0.00 -0.44 0.00 0.00 34.13 31.83 2bxy s GLU 341 CO 0.00 -1.63 0.66 1.04 0.95 0.00 0.00 175.26 176.28 2bxy n GLN 342 N -2.40 0.17 -2.53 -4.83 1.13 -1.26 -4.65 117.38 103.01 2bxy n GLN 342 Ca 0.13 -0.71 -0.36 0.00 -1.94 0.00 0.00 57.00 54.12 2bxy n GLN 342 Cb 0.50 -0.54 -0.04 0.00 0.11 0.00 0.00 30.24 30.27 2bxy n GLN 342 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2bxy s GLU 343 N -0.10 4.14 5.76 -1.09 0.41 -1.26 -3.08 118.70 123.48 2bxy s GLU 343 Ca 0.01 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.09 2bxy s GLU 343 Cb 0.00 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 2bxy s GLU 343 CO 0.00 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 2bxy n GLY 344 N 0.33 3.01 0.15 -1.39 0.00 -1.26 -1.79 105.19 104.24 2bxy n GLY 344 Ca 0.05 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2bxy n GLY 344 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2bxy h TYR 345 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -2.49 116.97 114.11 2bxy h TYR 345 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 2bxy h TYR 345 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 2bxy h TYR 345 CO 0.00 0.00 -0.03 1.88 -0.00 0.00 0.00 178.16 180.01 2bxy h TYR 346 N 0.00 0.00 0.00 0.10 0.05 -1.61 -0.31 116.97 115.20 2bxy h TYR 346 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2bxy h TYR 346 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2bxy h TYR 346 CO 0.00 0.03 0.07 0.00 -1.05 0.00 0.00 178.16 177.21 2bxy h ALA 347 N 1.97 1.05 0.00 3.88 0.00 -1.37 -2.79 119.26 122.00 2bxy h ALA 347 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bxy h ALA 347 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bxy h ALA 347 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2bxy n GLY 348 N -1.25 -0.83 2.93 0.00 0.00 -0.13 -4.86 105.19 101.05 2bxy n GLY 348 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2bxy n GLY 348 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bxy s TYR 349 N -2.00 0.01 -0.05 1.61 2.02 -1.05 -5.04 117.35 112.85 2bxy s TYR 349 Ca 0.32 -0.00 -0.04 0.00 -0.37 0.00 0.00 57.07 56.98 2bxy s TYR 349 Cb 0.15 -0.02 -0.27 0.00 -0.40 0.00 0.00 41.96 41.41 2bxy s TYR 349 CO 0.25 -0.06 0.64 -0.09 -1.57 0.00 0.00 175.55 174.72 2bxy h ARG 350 N 5.81 0.26 -1.30 -0.62 2.43 -1.89 -3.50 114.38 115.56 2bxy h ARG 350 Ca -0.26 -0.44 0.15 0.00 -0.81 0.00 0.00 59.98 58.62 2bxy h ARG 350 Cb 1.21 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.87 2bxy h ARG 350 CO 0.47 1.11 -0.30 0.41 -1.51 0.00 0.00 179.97 180.15 2bxy n GLY 351 N 1.80 -1.98 0.00 2.80 0.00 -1.26 -4.66 105.19 101.89 2bxy n GLY 351 Ca -0.23 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2bxy n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bxy n GLY 352 N -2.89 1.64 0.11 -0.02 0.00 -1.26 -4.42 105.19 98.35 2bxy n GLY 352 Ca -0.01 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 2bxy n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bxy h ALA 353 N 0.00 0.24 -0.31 4.61 0.00 -1.83 -0.03 119.26 121.94 2bxy h ALA 353 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2bxy h ALA 353 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2bxy h ALA 353 CO 0.00 -0.21 0.16 1.49 0.00 0.00 0.00 179.25 180.69 2bxy h GLU 354 N 0.18 0.32 -0.61 0.00 4.81 -1.88 -0.09 114.58 117.30 2bxy h GLU 354 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2bxy h GLU 354 Cb 0.10 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2bxy h GLU 354 CO -0.01 0.21 0.33 0.00 -0.73 0.00 0.00 179.01 178.81 2bxy h ALA 355 N 1.16 0.79 -0.33 2.92 0.00 -1.69 -1.74 119.26 120.37 2bxy h ALA 355 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2bxy h ALA 355 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2bxy h ALA 355 CO -0.09 0.32 0.07 -0.07 0.00 0.00 0.00 179.25 179.48 2bxy h LEU 356 N 0.84 0.51 -0.68 0.00 3.38 -0.84 -0.72 115.31 117.80 2bxy h LEU 356 Ca 0.22 -0.24 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2bxy h LEU 356 Cb 0.06 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 2bxy h LEU 356 CO -0.03 0.62 0.14 0.00 0.09 0.00 0.00 178.44 179.26 2bxy h ALA 357 N 0.91 0.83 0.03 1.53 0.00 -0.70 -1.01 119.26 120.85 2bxy h ALA 357 Ca 0.10 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2bxy h ALA 357 Cb 0.32 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2bxy h ALA 357 CO 0.00 -0.34 -0.01 -0.92 0.00 0.00 0.00 179.25 177.98 2bxy h TYR 358 N 0.24 -0.04 -0.85 0.00 3.20 -1.02 -1.40 116.97 117.11 2bxy h TYR 358 Ca 0.37 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.27 2bxy h TYR 358 Cb 0.61 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 2bxy h TYR 358 CO -0.28 0.31 0.55 1.15 -1.64 0.00 0.00 178.16 178.25 2bxy h THR 359 N -0.38 1.16 -0.35 1.81 2.02 -0.81 -0.83 112.91 115.53 2bxy h THR 359 Ca -0.00 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 2bxy h THR 359 Cb 0.36 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2bxy h THR 359 CO 0.01 0.20 0.03 0.40 0.37 0.00 0.00 175.52 176.53 2bxy h ILE 360 N 1.09 1.25 0.00 3.11 2.04 -1.18 -0.16 117.51 123.66 2bxy h ILE 360 Ca 0.33 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2bxy h ILE 360 Cb -0.03 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2bxy h ILE 360 CO -0.10 0.30 -0.18 0.08 0.00 0.00 0.00 178.15 178.25 2bxy h ARG 361 N 0.42 0.00 -0.01 2.37 0.11 -0.76 -2.31 114.38 114.20 2bxy h ARG 361 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2bxy h ARG 361 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2bxy h ARG 361 CO 0.01 0.18 -0.34 0.54 0.10 0.00 0.00 179.97 180.46 2bxy n ARG 362 N -3.80 1.19 0.00 0.08 5.12 -0.36 -4.98 116.66 113.90 2bxy n ARG 362 Ca -0.02 -0.89 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 2bxy n ARG 362 Cb 0.28 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 2bxy n ARG 362 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bxy n GLY 363 N 1.37 1.39 3.27 -0.13 0.00 -0.09 -4.66 105.19 106.35 2bxy n GLY 363 Ca 0.11 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2bxy n GLY 363 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2bxy s TRP 364 N 0.00 1.34 -0.08 1.61 -2.14 -1.23 -4.71 118.94 113.73 2bxy s TRP 364 Ca 0.00 -0.73 -0.25 0.00 2.66 0.00 0.00 56.10 57.78 2bxy s TRP 364 Cb 0.00 -0.67 -0.28 0.00 -3.10 0.00 0.00 33.47 29.42 2bxy s TRP 364 CO 0.00 0.13 0.87 -0.09 -2.66 0.00 0.00 176.95 175.20 2bxy h ARG 365 N 2.74 0.16 -5.98 3.25 2.43 -1.87 -3.44 114.38 111.67 2bxy h ARG 365 Ca -0.37 -0.25 -0.61 0.00 -0.81 0.00 0.00 59.98 57.94 2bxy h ARG 365 Cb 1.20 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.72 2bxy h ARG 365 CO 0.63 1.10 0.55 0.71 -1.51 0.00 0.00 179.97 181.45 2bxy s TYR 366 N -2.46 2.86 -0.19 2.20 2.02 -1.26 -4.87 117.35 115.66 2bxy s TYR 366 Ca -0.16 0.17 0.14 0.00 -0.37 0.00 0.00 57.07 56.85 2bxy s TYR 366 Cb -0.01 -3.99 0.39 0.00 -0.40 0.00 0.00 41.96 37.95 2bxy s TYR 366 CO 0.76 -1.22 1.24 0.39 -1.57 0.00 0.00 175.55 175.16 2bxy n GLU 367 N 7.28 1.62 0.00 -0.62 1.02 -1.22 -3.79 120.64 124.93 2bxy n GLU 367 Ca 0.04 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 2bxy n GLU 367 Cb 0.48 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2bxy n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bxy n GLY 368 N -1.19 1.32 3.81 0.62 0.00 0.99 -3.36 105.19 107.37 2bxy n GLY 368 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2bxy n GLY 368 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bxy s GLN 369 N 0.00 2.51 0.10 1.61 0.00 -1.23 -4.05 119.66 118.59 2bxy s GLN 369 Ca 0.00 0.81 -0.31 0.00 -0.00 0.00 0.00 55.36 55.86 2bxy s GLN 369 Cb 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 33.01 30.97 2bxy s GLN 369 CO 0.00 -1.36 1.62 0.12 0.00 0.00 0.00 175.29 175.66 2bxy s PHE 370 N -3.09 2.64 -0.40 9.60 5.36 -1.26 -1.72 117.98 129.10 2bxy s PHE 370 Ca 0.59 0.43 -0.19 0.00 -0.96 0.00 0.00 56.93 56.81 2bxy s PHE 370 Cb -0.14 -3.94 0.01 0.00 -0.34 0.00 0.00 43.02 38.61 2bxy s PHE 370 CO 0.55 -3.68 0.52 -0.46 -1.46 0.00 0.00 175.22 170.69 2bxy s TRP 371 N 2.15 3.14 -2.32 10.12 -0.11 0.11 -4.88 118.94 127.14 2bxy s TRP 371 Ca 0.72 -0.09 0.22 0.00 1.22 0.00 0.00 56.10 58.17 2bxy s TRP 371 Cb -0.41 -3.04 0.52 0.00 -1.50 0.00 0.00 33.47 29.04 2bxy s TRP 371 CO 0.32 -0.69 1.44 0.00 -4.62 0.00 0.00 176.95 173.40 2bxy n ALA 372 N 5.85 2.43 -1.67 5.86 0.00 -1.26 -2.33 120.51 129.39 2bxy n ALA 372 Ca -0.05 -0.94 -0.43 0.00 0.00 0.00 0.00 53.44 52.02 2bxy n ALA 372 Cb 0.48 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2bxy n ALA 372 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2bxy n VAL 373 N 1.25 0.63 -1.78 0.00 0.31 -1.26 -4.84 118.33 112.64 2bxy n VAL 373 Ca 0.19 -0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 63.99 2bxy n VAL 373 Cb 0.54 -2.19 -0.02 0.00 -0.91 0.00 0.00 33.84 31.26 2bxy n VAL 373 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2bxy s LYS 374 N 3.93 4.14 0.00 5.55 1.02 -1.26 -1.07 119.74 132.04 2bxy s LYS 374 Ca 0.88 2.56 0.00 0.00 0.02 0.00 0.00 55.97 59.43 2bxy s LYS 374 Cb -0.49 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 2bxy s LYS 374 CO 0.43 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 2bxy n GLY 375 N 3.22 1.50 0.04 -3.33 0.00 -1.26 -4.83 105.19 100.53 2bxy n GLY 375 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2bxy n GLY 375 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bxy n GLU 376 N -2.00 1.17 -1.69 1.61 1.02 -0.23 -5.10 120.64 115.42 2bxy n GLU 376 Ca 0.00 -1.02 -0.42 0.00 -0.02 0.00 0.00 57.16 55.69 2bxy n GLU 376 Cb 0.00 -0.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 2bxy n GLU 376 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2bxy n GLU 377 N -0.27 2.80 -3.75 3.49 4.71 -1.08 -4.79 120.64 121.75 2bxy n GLU 377 Ca 0.01 1.02 -0.02 0.00 -0.01 0.00 0.00 57.16 58.16 2bxy n GLU 377 Cb 0.43 -2.91 -0.00 0.00 -1.01 0.00 0.00 31.44 27.94 2bxy n GLU 377 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 2bxy s HIS 378 N 2.74 -0.06 -0.44 -0.32 -3.43 -0.98 -5.00 115.29 107.78 2bxy s HIS 378 Ca 0.82 -0.19 -0.26 0.00 -0.80 0.00 0.00 55.06 54.62 2bxy s HIS 378 Cb -0.48 0.62 0.02 0.00 -1.43 0.00 0.00 32.58 31.31 2bxy s HIS 378 CO 0.37 -0.66 0.96 -1.21 -2.00 0.00 0.00 174.74 172.20 2bxy s GLU 379 N -2.79 3.63 -0.19 -0.38 2.02 -1.26 0.06 118.70 119.79 2bxy s GLU 379 Ca 0.15 0.32 -0.08 0.00 0.02 0.00 0.00 54.97 55.39 2bxy s GLU 379 Cb 0.00 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 2bxy s GLU 379 CO 0.01 -1.19 0.07 0.50 0.02 0.00 0.00 175.26 174.67 2bxy s ARG 380 N 3.81 3.95 0.00 1.61 3.52 -0.70 -4.87 118.95 126.27 2bxy s ARG 380 Ca 0.39 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 2bxy s ARG 380 Cb -0.10 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 2bxy s ARG 380 CO 0.26 0.21 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 2bxy n GLY 381 N 3.73 -0.43 3.15 8.12 0.00 -1.21 -0.01 105.19 118.54 2bxy n GLY 381 Ca -0.16 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2bxy n GLY 381 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bxy s HIS 382 N -1.01 0.24 0.20 1.61 3.76 -0.57 -2.27 115.29 117.24 2bxy s HIS 382 Ca 0.00 -0.63 -0.32 0.00 -0.15 0.00 0.00 55.06 53.95 2bxy s HIS 382 Cb 0.00 -0.16 -0.14 0.00 1.11 0.00 0.00 32.58 33.39 2bxy s HIS 382 CO 0.00 -0.44 1.37 -2.30 -0.85 0.00 0.00 174.74 172.52 2bxy n PRO 383 N 0.32 1.77 -0.05 8.40 -0.02 -1.21 -4.41 135.00 139.80 2bxy n PRO 383 Ca -0.16 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2bxy n PRO 383 Cb 0.60 -2.27 0.44 0.00 -0.02 0.00 0.00 33.50 32.26 2bxy n PRO 383 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bxy n SER 384 N 2.34 1.56 -0.32 2.55 3.41 -1.26 -4.62 113.62 117.27 2bxy n SER 384 Ca 0.14 -1.62 0.10 0.00 -0.26 0.00 0.00 58.87 57.23 2bxy n SER 384 Cb 0.28 -0.06 0.31 0.00 -0.26 0.00 0.00 64.21 64.48 2bxy n SER 384 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2bxy h ASP 385 N 2.20 0.80 0.49 4.04 5.19 -1.89 -1.14 116.42 126.10 2bxy h ASP 385 Ca 0.00 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 2bxy h ASP 385 Cb 0.48 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2bxy h ASP 385 CO 0.00 0.40 -0.17 0.00 -3.12 0.00 0.00 179.24 176.34 2bxy h ALA 386 N 1.58 1.24 -2.70 3.45 0.00 -2.00 -3.44 119.26 117.39 2bxy h ALA 386 Ca 0.49 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.72 2bxy h ALA 386 Cb 0.64 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2bxy h ALA 386 CO -0.26 0.22 0.20 -0.51 0.00 0.00 0.00 179.25 178.90 2bxy s LEU 387 N -7.28 4.56 0.28 0.00 1.43 -0.43 -5.07 118.68 112.17 2bxy s LEU 387 Ca -0.02 1.66 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 2bxy s LEU 387 Cb 0.13 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 2bxy s LEU 387 CO 0.61 0.18 0.36 -0.70 0.23 0.00 0.00 176.35 177.03 2bxy s GLU 388 N -1.28 3.20 0.24 1.70 2.56 -1.26 -4.98 118.70 118.88 2bxy s GLU 388 Ca 0.38 -0.93 -0.10 0.00 0.00 0.00 0.00 54.97 54.31 2bxy s GLU 388 Cb -0.23 -2.78 0.37 0.00 2.00 0.00 0.00 34.13 33.49 2bxy s GLU 388 CO 0.26 0.28 1.61 0.00 -0.56 0.00 0.00 175.26 176.85 2bxy h ALA 389 N 1.14 0.60 0.00 6.30 0.00 -1.88 0.10 119.26 125.53 2bxy h ALA 389 Ca -0.49 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2bxy h ALA 389 Cb 1.24 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2bxy h ALA 389 CO 0.58 -0.42 -0.08 -1.35 0.00 0.00 0.00 179.25 177.98 2bxy h PRO 390 N 0.02 0.00 0.00 0.00 0.11 -1.78 -2.42 132.00 127.93 2bxy h PRO 390 Ca 0.39 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 2bxy h PRO 390 Cb 0.63 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 2bxy h PRO 390 CO -0.78 0.08 -0.03 -0.91 -0.21 0.00 0.00 178.00 176.16 2bxy h ASN 391 N 0.00 0.00 -3.55 -2.05 2.35 -1.01 -3.39 115.58 107.93 2bxy h ASN 391 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 2bxy h ASN 391 Cb 0.33 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.57 2bxy h ASN 391 CO 0.01 0.03 -0.27 -0.36 -1.65 0.00 0.00 177.43 175.18 2bxy s PHE 392 N -3.99 3.34 -0.27 1.19 0.08 -0.91 -0.81 117.98 116.60 2bxy s PHE 392 Ca -0.02 0.49 -0.11 0.00 0.12 0.00 0.00 56.93 57.41 2bxy s PHE 392 Cb 0.12 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.04 2bxy s PHE 392 CO 0.50 -0.04 0.20 0.08 -0.10 0.00 0.00 175.22 175.86 2bxy s VAL 393 N 1.41 5.31 0.08 -0.44 1.01 0.05 -0.89 120.40 126.92 2bxy s VAL 393 Ca 0.16 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2bxy s VAL 393 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2bxy s VAL 393 CO 0.08 0.26 0.03 -0.31 0.00 0.00 0.00 175.10 175.15 2bxy s TYR 394 N 1.68 3.07 0.21 5.22 1.51 -0.18 -2.09 117.35 126.77 2bxy s TYR 394 Ca 0.08 0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 55.96 2bxy s TYR 394 Cb -0.16 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 2bxy s TYR 394 CO 0.10 0.50 0.58 0.00 -1.11 0.00 0.00 175.55 175.62 2bxy n ILE 396 N -0.38 0.00 -3.74 0.00 -5.35 -1.26 -3.67 119.36 104.95 2bxy n ILE 396 Ca -0.10 -0.43 -0.13 0.00 -0.27 0.00 0.00 62.75 61.82 2bxy n ILE 396 Cb 0.62 1.13 -0.10 0.00 -1.74 0.00 0.00 39.64 39.55 2bxy n ILE 396 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2bxy s GLN 397 N -1.15 0.47 0.38 6.28 -1.52 -1.26 -4.88 119.66 117.97 2bxy s GLN 397 Ca 0.08 0.44 -0.10 0.00 -1.95 0.00 0.00 55.36 53.83 2bxy s GLN 397 Cb 0.07 0.23 0.04 0.00 -0.22 0.00 0.00 33.01 33.13 2bxy s GLN 397 CO 0.20 -0.07 0.68 0.54 -0.25 0.00 0.00 175.29 176.39 2bxy s ASN 398 N 0.02 0.39 0.26 5.90 2.20 -1.26 -3.94 114.94 118.51 2bxy s ASN 398 Ca -0.02 -1.31 -0.02 0.00 -0.94 0.00 0.00 52.86 50.57 2bxy s ASN 398 Cb -0.03 0.79 0.43 0.00 -2.00 0.00 0.00 41.25 40.44 2bxy s ASN 398 CO 0.01 -1.56 1.85 1.12 -2.94 0.00 0.00 177.10 175.57 2bxy h HIS 399 N 2.03 1.06 0.01 1.54 2.07 -1.98 -2.21 115.15 117.68 2bxy h HIS 399 Ca -0.31 0.03 -0.20 0.00 -2.85 0.00 0.00 60.37 57.04 2bxy h HIS 399 Cb 1.25 -0.34 0.02 0.00 2.57 0.00 0.00 27.41 30.90 2bxy h HIS 399 CO 1.48 0.49 -0.80 -0.44 -3.07 0.00 0.00 177.93 175.59 2bxy h ASP 400 N 0.99 0.68 0.80 3.10 3.32 -1.97 0.16 116.42 123.51 2bxy h ASP 400 Ca 0.43 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2bxy h ASP 400 Cb 0.30 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2bxy h ASP 400 CO -0.22 1.36 0.00 0.00 -1.72 0.00 0.00 179.24 178.66 2bxy n GLN 401 N -4.07 0.12 -0.09 3.56 1.13 -1.08 -0.54 117.38 116.41 2bxy n GLN 401 Ca -0.11 0.28 -0.11 0.00 -1.94 0.00 0.00 57.00 55.12 2bxy n GLN 401 Cb 0.77 -1.69 -0.04 0.00 0.11 0.00 0.00 30.24 29.39 2bxy n GLN 401 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2bxy n ILE 402 N -1.91 1.48 0.27 5.09 5.41 -0.85 -4.75 119.36 124.11 2bxy n ILE 402 Ca 0.04 0.09 0.16 0.00 1.00 0.00 0.00 62.75 64.04 2bxy n ILE 402 Cb 0.25 -2.29 0.68 0.00 -0.71 0.00 0.00 39.64 37.58 2bxy n ILE 402 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2bxy h GLY 403 N -1.00 0.00 2.00 7.39 0.00 -0.61 -2.67 103.07 108.17 2bxy h GLY 403 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2bxy h GLY 403 CO -0.06 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.64 2bxy n ASN 404 N -3.17 0.46 -4.78 0.19 0.23 0.30 -4.08 115.26 104.41 2bxy n ASN 404 Ca 0.00 0.59 -0.38 0.00 -0.53 0.00 0.00 54.58 54.27 2bxy n ASN 404 Cb 0.31 -0.69 -0.06 0.00 -2.08 0.00 0.00 39.78 37.25 2bxy n ASN 404 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2bxy s ARG 405 N -3.16 4.57 0.31 -3.83 0.52 -1.01 -4.96 118.95 111.40 2bxy s ARG 405 Ca 0.07 1.26 0.08 0.00 -0.52 0.00 0.00 55.73 56.62 2bxy s ARG 405 Cb 0.11 -2.93 0.83 0.00 0.52 0.00 0.00 34.95 33.48 2bxy s ARG 405 CO 0.41 0.37 1.75 -1.00 0.02 0.00 0.00 175.30 176.85 2bxy h PRO 406 N 3.48 0.63 -0.19 3.54 0.13 -1.88 -0.71 132.00 137.00 2bxy h PRO 406 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2bxy h PRO 406 Cb 1.19 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2bxy h PRO 406 CO 0.66 0.42 0.00 1.28 -0.23 0.00 0.00 178.00 180.12 2bxy n LEU 407 N -4.83 2.94 -2.85 1.56 4.77 -1.26 -4.32 117.00 113.00 2bxy n LEU 407 Ca 0.26 -1.28 -0.21 0.00 -0.03 0.00 0.00 56.01 54.75 2bxy n LEU 407 Cb 0.68 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 2bxy n LEU 407 CO 0.18 0.59 -0.09 0.61 -1.33 0.00 0.00 177.39 177.35 2bxy n GLY 408 N 1.17 -0.51 3.83 -0.72 0.00 -0.27 -4.76 105.19 103.93 2bxy n GLY 408 Ca 0.14 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2bxy n GLY 408 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bxy s GLU 409 N -5.51 4.18 0.73 1.61 1.03 -1.26 -0.90 118.70 118.58 2bxy s GLU 409 Ca 0.20 1.05 -0.09 0.00 0.03 0.00 0.00 54.97 56.16 2bxy s GLU 409 Cb -0.10 -2.21 0.05 0.00 -0.80 0.00 0.00 34.13 31.08 2bxy s GLU 409 CO 0.25 -0.03 1.07 1.03 -1.33 0.00 0.00 175.26 176.26 2bxy s ARG 410 N -3.24 2.32 0.16 -4.83 0.52 -1.26 -4.70 118.95 107.92 2bxy s ARG 410 Ca 0.61 0.03 -0.16 0.00 -0.52 0.00 0.00 55.73 55.69 2bxy s ARG 410 Cb -0.09 -2.08 0.06 0.00 0.52 0.00 0.00 34.95 33.36 2bxy s ARG 410 CO 0.15 -1.26 1.77 1.25 0.02 0.00 0.00 175.30 177.23 2bxy h LEU 411 N -0.72 0.25 -0.60 2.53 5.85 -1.93 0.54 115.31 121.22 2bxy h LEU 411 Ca -0.45 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2bxy h LEU 411 Cb 1.30 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2bxy h LEU 411 CO 0.63 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 2bxy n HIS 412 N -4.95 0.58 0.15 1.25 1.44 -1.26 -2.45 115.22 109.99 2bxy n HIS 412 Ca 0.02 0.24 0.11 0.00 -2.01 0.00 0.00 57.72 56.08 2bxy n HIS 412 Cb 0.11 -0.89 -0.00 0.00 0.12 0.00 0.00 29.99 29.33 2bxy n HIS 412 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2bxy n GLN 413 N -2.04 0.57 -1.99 -1.40 6.02 0.14 -4.79 117.38 113.89 2bxy n GLN 413 Ca 0.02 0.08 -0.35 0.00 -0.01 0.00 0.00 57.00 56.74 2bxy n GLN 413 Cb 0.18 -1.77 0.03 0.00 1.02 0.00 0.00 30.24 29.70 2bxy n GLN 413 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2bxy s SER 414 N -5.11 5.22 0.21 1.08 0.01 -0.98 -4.89 113.70 109.23 2bxy s SER 414 Ca -0.01 2.29 -0.32 0.00 1.31 0.00 0.00 55.95 59.23 2bxy s SER 414 Cb 0.11 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 2bxy s SER 414 CO 0.80 -1.57 1.74 -1.81 0.41 0.00 0.00 173.24 172.81 2bxy s ASP 415 N -1.79 6.37 0.00 2.44 1.01 -1.26 -2.38 116.67 121.06 2bxy s ASP 415 Ca 0.75 2.87 0.00 0.00 0.71 0.00 0.00 52.55 56.88 2bxy s ASP 415 Cb -0.28 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.06 2bxy s ASP 415 CO 0.34 -0.98 0.00 0.61 0.21 0.00 0.00 175.17 175.34 2bxy n GLY 416 N 4.01 2.90 3.69 0.21 0.00 -1.26 -4.85 105.19 109.89 2bxy n GLY 416 Ca 0.16 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2bxy n GLY 416 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bxy s VAL 417 N -1.72 2.96 0.37 1.61 1.01 -1.00 -5.00 120.40 118.63 2bxy s VAL 417 Ca 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2bxy s VAL 417 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2bxy s VAL 417 CO 0.00 0.01 0.60 0.42 0.00 0.00 0.00 175.10 176.13 2bxy s THR 418 N 2.36 5.05 0.46 3.92 -4.23 -1.26 -4.82 115.64 117.12 2bxy s THR 418 Ca 0.73 -0.24 0.21 0.00 -1.18 0.00 0.00 61.69 61.22 2bxy s THR 418 Cb -0.41 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 69.84 2bxy s THR 418 CO 0.32 -0.59 2.07 -0.07 -0.54 0.00 0.00 174.62 175.81 2bxy h LEU 419 N 0.77 0.00 -0.34 4.79 3.38 -1.94 -1.09 115.31 120.87 2bxy h LEU 419 Ca -0.49 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2bxy h LEU 419 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2bxy h LEU 419 CO 0.62 0.12 0.02 0.45 0.09 0.00 0.00 178.44 179.74 2bxy h HIS 420 N 0.00 0.64 -0.54 1.13 3.86 -1.91 -0.03 115.15 118.30 2bxy h HIS 420 Ca -0.00 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 2bxy h HIS 420 Cb 0.25 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 2bxy h HIS 420 CO 0.00 0.69 0.21 0.93 0.86 0.00 0.00 177.93 180.62 2bxy h GLU 421 N 0.41 0.81 -0.67 2.45 5.08 -1.57 -0.09 114.58 121.01 2bxy h GLU 421 Ca 0.10 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2bxy h GLU 421 Cb 0.42 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2bxy h GLU 421 CO 0.01 0.72 0.38 -0.92 -1.00 0.00 0.00 179.01 178.20 2bxy h TYR 422 N 0.74 0.70 -0.27 4.33 3.20 -1.03 0.34 116.97 124.97 2bxy h TYR 422 Ca 0.18 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.93 2bxy h TYR 422 Cb 0.21 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2bxy h TYR 422 CO 0.01 0.34 -0.41 0.00 -1.64 0.00 0.00 178.16 176.46 2bxy h ARG 423 N 0.70 0.66 -0.61 1.82 3.08 -0.52 -2.48 114.38 117.04 2bxy h ARG 423 Ca 0.30 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2bxy h ARG 423 Cb 0.17 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2bxy h ARG 423 CO -0.17 0.95 0.38 0.78 -1.07 0.00 0.00 179.97 180.84 2bxy h GLY 424 N 0.99 0.86 1.18 0.04 0.00 -0.51 -2.25 103.07 103.38 2bxy h GLY 424 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2bxy h GLY 424 CO 0.08 0.27 0.49 0.00 0.00 0.00 0.00 176.54 177.38 2bxy h ALA 425 N 1.25 1.35 -0.32 3.60 0.00 -0.74 -1.75 119.26 122.65 2bxy h ALA 425 Ca 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2bxy h ALA 425 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2bxy h ALA 425 CO -0.08 0.57 0.16 0.00 0.00 0.00 0.00 179.25 179.90 2bxy h ALA 426 N 1.43 0.41 -0.68 0.00 0.00 -1.13 -1.11 119.26 118.19 2bxy h ALA 426 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bxy h ALA 426 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2bxy h ALA 426 CO -0.06 -0.04 0.42 0.00 0.00 0.00 0.00 179.25 179.58 2bxy h ALA 427 N 1.02 0.86 0.67 0.00 0.00 -0.79 -0.16 119.26 120.86 2bxy h ALA 427 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bxy h ALA 427 Cb 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2bxy h ALA 427 CO -0.02 0.32 -0.32 1.25 0.00 0.00 0.00 179.25 180.48 2bxy h LEU 428 N 0.92 -0.76 -0.57 0.00 5.85 -1.22 -2.37 115.31 117.15 2bxy h LEU 428 Ca 0.24 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.09 2bxy h LEU 428 Cb -0.06 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 2bxy h LEU 428 CO -0.05 -0.54 0.10 0.25 -0.34 0.00 0.00 178.44 177.87 2bxy h LEU 429 N -0.92 -0.04 -0.31 2.25 5.85 -1.02 -2.80 115.31 118.33 2bxy h LEU 429 Ca -0.09 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2bxy h LEU 429 Cb 0.70 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2bxy h LEU 429 CO 0.15 -0.00 -0.17 0.18 -0.34 0.00 0.00 178.44 178.26 2bxy n LEU 430 N -5.15 0.65 -0.41 2.25 4.77 -0.09 -2.94 117.00 116.09 2bxy n LEU 430 Ca 0.08 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2bxy n LEU 430 Cb 0.31 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2bxy n LEU 430 CO 0.17 0.12 0.28 0.35 -1.33 0.00 0.00 177.39 176.99 2bxy n THR 431 N -0.88 0.00 -2.73 -5.08 -2.24 -0.90 -4.68 114.28 97.77 2bxy n THR 431 Ca 0.13 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 2bxy n THR 431 Cb 0.30 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 2bxy n THR 431 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bxy s LEU 432 N -2.09 3.85 -1.46 3.22 1.43 -1.08 -4.99 118.68 117.56 2bxy s LEU 432 Ca 0.15 1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 54.71 2bxy s LEU 432 Cb 0.14 -4.44 -0.07 0.00 0.03 0.00 0.00 46.19 41.85 2bxy s LEU 432 CO 0.43 -0.42 2.72 -0.81 0.23 0.00 0.00 176.35 178.50 2bxy n PRO 433 N -0.96 3.28 -3.96 1.29 -0.04 -1.26 -4.89 135.00 128.47 2bxy n PRO 433 Ca 0.06 -2.08 -0.34 0.00 -0.04 0.00 0.00 63.50 61.10 2bxy n PRO 433 Cb 0.54 -2.77 -0.14 0.00 -0.04 0.00 0.00 33.50 31.08 2bxy n PRO 433 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2bxy s THR 435 N 2.55 2.88 0.31 0.52 2.01 -0.07 -4.06 115.64 119.77 2bxy s THR 435 Ca 0.62 -1.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 2bxy s THR 435 Cb 0.16 -2.48 -0.08 0.00 0.01 0.00 0.00 72.50 70.11 2bxy s THR 435 CO -0.05 0.17 0.69 -2.16 -0.69 0.00 0.00 174.62 172.57 2bxy s PRO 436 N 1.31 3.91 -0.02 4.92 0.04 -1.26 -1.01 135.00 142.89 2bxy s PRO 436 Ca -0.00 0.51 0.05 0.00 0.04 0.00 0.00 61.00 61.60 2bxy s PRO 436 Cb -0.17 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 2bxy s PRO 436 CO -0.04 0.17 -0.16 -1.17 0.04 0.00 0.00 177.00 175.84 2bxy s LEU 437 N -3.08 2.00 0.07 -3.56 0.20 -0.12 -0.99 118.68 113.19 2bxy s LEU 437 Ca 0.52 -0.30 0.07 0.00 0.69 0.00 0.00 54.13 55.11 2bxy s LEU 437 Cb -0.10 -0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 44.78 2bxy s LEU 437 CO 0.21 0.18 -0.15 -0.76 -0.29 0.00 0.00 176.35 175.54 2bxy s LEU 438 N -0.27 2.78 0.04 -0.68 1.43 0.66 -4.39 118.68 118.26 2bxy s LEU 438 Ca 0.04 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 2bxy s LEU 438 Cb -0.07 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 2bxy s LEU 438 CO -0.00 0.22 0.29 0.12 0.23 0.00 0.00 176.35 177.21 2bxy s PHE 439 N -1.06 3.56 0.15 0.29 5.36 -1.25 -0.07 117.98 124.96 2bxy s PHE 439 Ca 0.17 0.56 -0.34 0.00 -0.96 0.00 0.00 56.93 56.36 2bxy s PHE 439 Cb -0.11 -1.99 -0.16 0.00 -0.34 0.00 0.00 43.02 40.43 2bxy s PHE 439 CO 0.09 0.58 1.30 0.00 -1.46 0.00 0.00 175.22 175.72 2bxy n GLN 440 N 0.88 1.37 0.00 10.12 10.64 -0.44 -0.81 117.38 139.14 2bxy n GLN 440 Ca -0.09 0.49 0.00 0.00 -1.83 0.00 0.00 57.00 55.57 2bxy n GLN 440 Cb 0.52 -2.09 0.00 0.00 -0.86 0.00 0.00 30.24 27.81 2bxy n GLN 440 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2bxy n GLY 441 N 2.37 2.77 0.25 2.61 0.00 -1.26 -4.86 105.19 107.07 2bxy n GLY 441 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 2bxy n GLY 441 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2bxy h GLN 442 N 1.89 0.00 0.00 1.61 3.07 -1.37 -1.94 115.11 118.37 2bxy h GLN 442 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2bxy h GLN 442 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 2bxy h GLN 442 CO 0.00 0.06 -0.08 1.05 0.09 0.00 0.00 178.83 179.95 2bxy h GLU 443 N 0.00 0.00 -0.19 0.06 9.09 -1.89 -2.33 114.58 119.31 2bxy h GLU 443 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2bxy h GLU 443 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 2bxy h GLU 443 CO 0.01 0.08 -0.02 -2.67 0.05 0.00 0.00 179.01 176.46 2bxy n TRP 444 N -3.43 0.69 -3.74 2.06 2.14 -0.95 -2.09 117.44 112.12 2bxy n TRP 444 Ca -0.01 -1.00 -0.31 0.00 2.07 0.00 0.00 57.50 58.25 2bxy n TRP 444 Cb 0.23 -0.29 0.03 0.00 -0.81 0.00 0.00 31.31 30.47 2bxy n TRP 444 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2bxy n ALA 445 N -0.84 -2.47 -1.61 -1.67 0.00 -0.88 -4.28 120.51 108.77 2bxy n ALA 445 Ca 0.21 -0.26 -0.45 0.00 0.00 0.00 0.00 53.44 52.94 2bxy n ALA 445 Cb 0.84 -3.64 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 2bxy n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bxy n ALA 446 N -4.27 0.05 0.66 0.00 0.00 -0.77 -4.86 120.51 111.32 2bxy n ALA 446 Ca -0.13 0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.84 2bxy n ALA 446 Cb 0.60 -2.08 0.47 0.00 0.00 0.00 0.00 19.45 18.44 2bxy n ALA 446 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bxy n SER 447 N 1.43 0.46 -4.88 0.00 3.41 -1.26 -4.86 113.62 107.92 2bxy n SER 447 Ca 0.10 0.56 -0.36 0.00 -0.26 0.00 0.00 58.87 58.92 2bxy n SER 447 Cb 0.31 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2bxy n SER 447 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bxy s THR 448 N -3.11 5.37 0.92 6.66 -4.23 -1.26 -5.06 115.64 114.93 2bxy s THR 448 Ca 0.10 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.68 2bxy s THR 448 Cb 0.13 -3.52 0.15 0.00 1.34 0.00 0.00 72.50 70.61 2bxy s THR 448 CO 0.49 0.48 1.22 -2.16 -0.54 0.00 0.00 174.62 174.11 2bxy s PRO 449 N -1.44 1.02 -0.35 3.99 0.04 -1.26 -4.80 135.00 132.20 2bxy s PRO 449 Ca 0.22 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.23 2bxy s PRO 449 Cb -0.13 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2bxy s PRO 449 CO 0.12 -2.21 0.10 0.12 0.04 0.00 0.00 177.00 175.16 2bxy s PHE 450 N -3.58 2.85 0.28 0.56 5.36 -0.08 -4.24 117.98 119.14 2bxy s PHE 450 Ca 0.68 -2.53 0.04 0.00 -0.96 0.00 0.00 56.93 54.16 2bxy s PHE 450 Cb -0.09 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 2bxy s PHE 450 CO 0.52 -0.89 0.43 -0.65 -1.46 0.00 0.00 175.22 173.16 2bxy s GLN 451 N 1.01 3.42 -0.11 10.12 -0.21 -1.26 -3.12 119.66 129.52 2bxy s GLN 451 Ca 0.12 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 2bxy s GLN 451 Cb -0.19 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 2bxy s GLN 451 CO -0.13 0.31 1.26 0.12 -2.12 0.00 0.00 175.29 174.73 2bxy s PHE 452 N -2.10 2.96 0.05 0.91 5.36 -1.26 -4.96 117.98 118.95 2bxy s PHE 452 Ca 0.37 1.06 0.04 0.00 -0.96 0.00 0.00 56.93 57.43 2bxy s PHE 452 Cb -0.09 -3.49 -0.03 0.00 -0.34 0.00 0.00 43.02 39.07 2bxy s PHE 452 CO 0.31 -1.64 -0.11 -0.59 -1.46 0.00 0.00 175.22 171.73 2bxy s PHE 453 N 2.93 0.98 0.32 10.12 -0.12 -1.26 -4.16 117.98 126.78 2bxy s PHE 453 Ca 0.56 -0.45 -0.05 0.00 -0.05 0.00 0.00 56.93 56.94 2bxy s PHE 453 Cb -0.24 -0.57 0.00 0.00 -0.63 0.00 0.00 43.02 41.59 2bxy s PHE 453 CO 0.19 -0.00 0.47 -1.54 -0.05 0.00 0.00 175.22 174.28 2bxy s SER 454 N -1.55 0.64 -0.36 1.98 1.04 0.27 -3.75 113.70 111.97 2bxy s SER 454 Ca -0.04 -1.36 0.13 0.00 0.48 0.00 0.00 55.95 55.16 2bxy s SER 454 Cb -0.09 0.64 0.42 0.00 0.10 0.00 0.00 66.02 67.09 2bxy s SER 454 CO 0.01 -1.25 1.18 -0.67 0.98 0.00 0.00 173.24 173.48 2bxy n ASP 455 N -1.14 -0.39 -4.81 7.02 2.03 -1.20 -4.13 116.55 113.93 2bxy n ASP 455 Ca 0.00 -2.57 -0.32 0.00 0.52 0.00 0.00 54.79 52.42 2bxy n ASP 455 Cb 0.62 0.32 0.03 0.00 -0.72 0.00 0.00 41.12 41.36 2bxy n ASP 455 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2bxy s HIS 456 N -1.31 3.06 0.37 -0.67 3.76 -1.26 -3.83 115.29 115.41 2bxy s HIS 456 Ca 0.24 1.47 -0.10 0.00 -0.15 0.00 0.00 55.06 56.53 2bxy s HIS 456 Cb 0.43 -2.94 -0.06 0.00 1.11 0.00 0.00 32.58 31.11 2bxy s HIS 456 CO -0.03 -1.13 0.71 0.00 -0.85 0.00 0.00 174.74 173.44 2bxy s ALA 457 N -2.72 3.41 0.00 -1.40 0.00 -1.26 -3.93 121.76 115.86 2bxy s ALA 457 Ca 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2bxy s ALA 457 Cb -0.15 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.36 2bxy s ALA 457 CO 0.44 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2bxy n GLY 458 N -1.10 2.35 0.37 0.00 0.00 -1.26 -1.85 105.19 103.69 2bxy n GLY 458 Ca 0.02 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.86 2bxy n GLY 458 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bxy h GLU 459 N 0.00 0.96 -0.45 1.61 5.08 -1.99 -2.04 114.58 117.74 2bxy h GLU 459 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2bxy h GLU 459 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2bxy h GLU 459 CO 0.00 0.63 0.24 1.25 -1.00 0.00 0.00 179.01 180.13 2bxy h LEU 460 N 0.98 0.57 -0.51 1.33 5.85 -1.83 0.26 115.31 121.96 2bxy h LEU 460 Ca 0.41 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.07 2bxy h LEU 460 Cb 0.29 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2bxy h LEU 460 CO -0.17 0.51 0.27 1.23 -0.34 0.00 0.00 178.44 179.93 2bxy h GLY 461 N 0.58 0.72 1.09 3.75 0.00 -0.68 -1.00 103.07 107.52 2bxy h GLY 461 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2bxy h GLY 461 CO -0.02 0.13 0.50 1.46 0.00 0.00 0.00 176.54 178.61 2bxy h GLN 462 N 0.52 1.20 -0.61 4.80 4.20 -1.01 -2.32 115.11 121.89 2bxy h GLN 462 Ca 0.22 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2bxy h GLN 462 Cb 0.11 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2bxy h GLN 462 CO -0.14 0.86 0.05 0.00 -0.67 0.00 0.00 178.83 178.92 2bxy h ALA 463 N 1.34 0.92 -0.35 3.87 0.00 -0.49 -1.66 119.26 122.88 2bxy h ALA 463 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bxy h ALA 463 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2bxy h ALA 463 CO -0.05 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.32 2bxy h VAL 464 N 0.97 1.15 -0.06 0.00 2.07 -0.89 0.18 116.25 119.67 2bxy h VAL 464 Ca 0.18 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2bxy h VAL 464 Cb 0.49 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2bxy h VAL 464 CO 0.02 0.15 0.01 0.28 0.02 0.00 0.00 177.57 178.06 2bxy h SER 465 N 0.44 0.01 -0.40 0.57 0.02 -1.24 -1.59 113.55 111.36 2bxy h SER 465 Ca 0.12 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2bxy h SER 465 Cb 0.07 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2bxy h SER 465 CO -0.02 0.02 0.24 -0.08 -1.14 0.00 0.00 176.83 175.85 2bxy h GLU 466 N 0.04 0.54 -0.73 3.45 4.57 -1.21 -2.39 114.58 118.85 2bxy h GLU 466 Ca 0.03 -0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2bxy h GLU 466 Cb 0.02 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.41 2bxy h GLU 466 CO -0.03 0.40 0.34 0.78 -1.18 0.00 0.00 179.01 179.31 2bxy h GLY 467 N 0.52 1.10 0.96 1.92 0.00 -0.44 -1.85 103.07 105.28 2bxy h GLY 467 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2bxy h GLY 467 CO -0.03 -0.00 -0.13 -0.09 0.00 0.00 0.00 176.54 176.29 2bxy h ARG 468 N 0.54 0.72 -0.09 4.80 9.65 -1.10 -1.85 114.38 127.06 2bxy h ARG 468 Ca 0.37 -0.30 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2bxy h ARG 468 Cb 0.47 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2bxy h ARG 468 CO -0.32 0.90 -0.05 -0.22 2.80 0.00 0.00 179.97 183.08 2bxy h LYS 469 N 0.51 -0.05 -0.39 0.20 3.64 -1.21 -3.11 116.57 116.15 2bxy h LYS 469 Ca 0.09 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2bxy h LYS 469 Cb 0.66 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2bxy h LYS 469 CO 0.04 -0.03 -0.23 0.87 -2.27 0.00 0.00 179.45 177.83 2bxy h LYS 470 N -0.05 0.78 -0.61 1.90 1.57 -1.31 -3.14 116.57 115.72 2bxy h LYS 470 Ca 0.05 -0.32 0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2bxy h LYS 470 Cb 0.13 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2bxy h LYS 470 CO -0.12 0.94 0.40 1.49 -0.57 0.00 0.00 179.45 181.59 2bxy h GLU 471 N 0.68 0.50 0.00 3.15 4.81 -1.27 -3.51 114.58 118.94 2bxy h GLU 471 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2bxy h GLU 471 Cb 0.75 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2bxy h GLU 471 CO 0.06 0.33 0.00 1.19 -0.73 0.00 0.00 179.01 179.86 2bxy n PHE 472 N -4.48 0.00 -2.77 0.92 3.01 -1.19 -5.11 117.46 107.83 2bxy n PHE 472 Ca 0.09 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.16 2bxy n PHE 472 Cb 0.30 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.71 2bxy n PHE 472 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2bxy s ASP 482 N 0.11 7.58 0.11 4.37 1.01 -1.26 -4.98 116.67 123.61 2bxy s ASP 482 Ca 0.00 1.91 -0.31 0.00 0.71 0.00 0.00 52.55 54.86 2bxy s ASP 482 Cb 0.00 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 2bxy s ASP 482 CO 0.00 0.13 1.30 -0.69 0.21 0.00 0.00 175.17 176.12 2bxy s VAL 483 N -1.25 3.56 0.22 -1.27 1.01 -1.26 -4.97 120.40 116.45 2bxy s VAL 483 Ca 0.42 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 2bxy s VAL 483 Cb -0.25 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 2bxy s VAL 483 CO 0.30 0.11 1.46 -2.16 0.00 0.00 0.00 175.10 174.81 2bxy s PRO 484 N 0.83 4.26 -0.09 2.72 0.04 -1.26 -4.93 135.00 136.56 2bxy s PRO 484 Ca 0.61 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.65 2bxy s PRO 484 Cb -0.34 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 2bxy s PRO 484 CO 0.31 -0.46 1.63 0.34 0.04 0.00 0.00 177.00 178.86 2bxy s ASP 485 N 0.57 6.62 0.54 6.66 -1.08 -1.26 -4.88 116.67 123.84 2bxy s ASP 485 Ca 0.62 2.08 0.21 0.00 -0.52 0.00 0.00 52.55 54.94 2bxy s ASP 485 Cb -0.42 -2.53 1.42 0.00 -1.46 0.00 0.00 42.92 39.93 2bxy s ASP 485 CO 0.40 -0.99 2.14 1.55 0.52 0.00 0.00 175.17 178.79 2bxy h PRO 486 N 9.75 0.00 0.00 4.34 0.13 -1.90 -1.39 132.00 142.93 2bxy h PRO 486 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2bxy h PRO 486 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2bxy h PRO 486 CO 0.96 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.77 2bxy n GLN 487 N -4.32 0.15 -2.78 0.86 1.13 -1.26 -0.56 117.38 110.59 2bxy n GLN 487 Ca -0.01 0.17 -0.41 0.00 -1.94 0.00 0.00 57.00 54.81 2bxy n GLN 487 Cb 0.19 -1.69 -0.04 0.00 0.11 0.00 0.00 30.24 28.81 2bxy n GLN 487 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bxy s ALA 488 N -3.08 3.27 0.37 -1.58 0.00 -0.52 -4.84 121.76 115.36 2bxy s ALA 488 Ca 0.11 0.52 0.13 0.00 0.00 0.00 0.00 51.96 52.71 2bxy s ALA 488 Cb 0.14 -3.22 0.93 0.00 0.00 0.00 0.00 23.12 20.97 2bxy s ALA 488 CO 0.52 -0.01 1.81 0.93 0.00 0.00 0.00 175.76 179.02 2bxy h GLU 489 N 5.61 0.55 -0.58 0.00 5.08 -1.89 -1.28 114.58 122.07 2bxy h GLU 489 Ca -0.43 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2bxy h GLU 489 Cb 1.21 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2bxy h GLU 489 CO 0.72 0.36 0.38 0.37 -1.00 0.00 0.00 179.01 179.84 2bxy h GLN 490 N 0.57 0.72 -0.47 2.33 5.75 -1.92 -1.06 115.11 121.03 2bxy h GLN 490 Ca 0.53 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.89 2bxy h GLN 490 Cb 1.09 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 2bxy h GLN 490 CO -0.28 0.48 -0.10 1.15 -2.65 0.00 0.00 178.83 177.43 2bxy h THR 491 N 0.75 1.26 0.24 2.39 2.02 -1.49 0.33 112.91 118.41 2bxy h THR 491 Ca 0.22 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 2bxy h THR 491 Cb -0.04 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2bxy h THR 491 CO -0.05 0.41 -0.11 0.15 0.37 0.00 0.00 175.52 176.29 2bxy h PHE 492 N 0.77 -0.29 -0.98 3.16 3.57 -1.46 -3.05 116.94 118.66 2bxy h PHE 492 Ca 0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2bxy h PHE 492 Cb 0.60 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 2bxy h PHE 492 CO 0.03 0.05 0.64 -0.07 -2.23 0.00 0.00 178.31 176.73 2bxy h LEU 493 N -0.68 1.01 -0.86 0.59 3.38 -1.05 -1.28 115.31 116.42 2bxy h LEU 493 Ca -0.03 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.16 2bxy h LEU 493 Cb 0.47 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 40.89 2bxy h LEU 493 CO 0.05 0.64 0.27 0.78 0.09 0.00 0.00 178.44 180.28 2bxy h ASN 494 N 1.14 0.11 0.14 -0.43 2.35 -0.35 -2.11 115.58 116.42 2bxy h ASN 494 Ca 0.43 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 2bxy h ASN 494 Cb 0.19 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2bxy h ASN 494 CO -0.17 -0.08 -0.03 -1.20 -1.65 0.00 0.00 177.43 174.30 2bxy n SER 495 N -5.15 0.41 -4.75 5.81 7.64 -0.49 -4.32 113.62 112.77 2bxy n SER 495 Ca 0.20 -0.91 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 2bxy n SER 495 Cb 0.63 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 2bxy n SER 495 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2bxy s LYS 496 N -2.17 4.30 0.38 1.43 -0.14 -0.80 -4.82 119.74 117.92 2bxy s LYS 496 Ca 0.39 2.25 -0.27 0.00 -1.36 0.00 0.00 55.97 56.98 2bxy s LYS 496 Cb 0.21 -3.12 -0.09 0.00 -1.68 0.00 0.00 37.83 33.15 2bxy s LYS 496 CO 0.40 -0.37 1.34 -0.51 -0.76 0.00 0.00 175.35 175.45 2bxy s LEU 497 N -0.48 4.29 -0.46 3.17 1.43 -0.60 -4.87 118.68 121.16 2bxy s LEU 497 Ca 0.58 2.73 -0.10 0.00 -1.03 0.00 0.00 54.13 56.31 2bxy s LEU 497 Cb -0.41 -3.79 0.10 0.00 0.03 0.00 0.00 46.19 42.12 2bxy s LEU 497 CO 0.43 -0.77 0.33 0.21 0.23 0.00 0.00 176.35 176.78 2bxy s ASN 498 N -0.57 5.74 0.22 2.29 3.84 -1.26 -4.74 114.94 120.46 2bxy s ASN 498 Ca 0.54 -1.73 0.00 0.00 0.21 0.00 0.00 52.86 51.88 2bxy s ASN 498 Cb -0.40 -2.03 0.21 0.00 -0.55 0.00 0.00 41.25 38.48 2bxy s ASN 498 CO 0.52 -0.65 1.56 -0.50 -2.79 0.00 0.00 177.10 175.24 2bxy h TRP 499 N 8.48 0.54 -0.04 0.43 4.06 -1.95 -3.19 115.95 124.29 2bxy h TRP 499 Ca -0.23 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.50 2bxy h TRP 499 Cb 1.08 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 2bxy h TRP 499 CO 0.64 0.87 -0.17 0.00 -3.56 0.00 0.00 178.44 176.21 2bxy h ALA 500 N 1.10 1.65 0.00 1.49 0.00 -2.04 -3.12 119.26 118.33 2bxy h ALA 500 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2bxy h ALA 500 Cb 1.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2bxy h ALA 500 CO 0.09 0.26 -0.20 1.05 0.00 0.00 0.00 179.25 180.46 2bxy h GLU 501 N 0.05 0.00 0.00 0.00 4.11 -1.96 -2.58 114.58 114.20 2bxy h GLU 501 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2bxy h GLU 501 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2bxy h GLU 501 CO 0.02 0.20 0.00 0.07 0.07 0.00 0.00 179.01 179.37 2bxy h ARG 502 N 0.00 0.00 0.00 1.06 0.11 -1.74 -2.66 114.38 111.15 2bxy h ARG 502 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bxy h ARG 502 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2bxy h ARG 502 CO 0.03 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.49 2bxy n GLU 503 N -2.76 0.14 -4.22 0.08 1.02 -0.97 -2.89 120.64 111.04 2bxy n GLU 503 Ca -0.01 0.31 -0.13 0.00 -0.02 0.00 0.00 57.16 57.31 2bxy n GLU 503 Cb 0.15 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 2bxy n GLU 503 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2bxy s GLY 504 N -3.37 0.96 0.00 0.62 0.00 -1.01 -4.79 107.32 99.74 2bxy s GLY 504 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2bxy s GLY 504 CO 0.41 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.59 2bxy n GLY 505 N -0.14 2.87 0.21 0.20 0.00 -1.26 -1.66 105.19 105.42 2bxy n GLY 505 Ca -0.11 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.67 2bxy n GLY 505 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bxy h GLU 506 N 0.00 0.00 -0.17 1.61 4.39 -1.96 -2.26 114.58 116.18 2bxy h GLU 506 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2bxy h GLU 506 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2bxy h GLU 506 CO 0.00 0.27 0.08 0.45 -1.16 0.00 0.00 179.01 178.65 2bxy h HIS 507 N 0.00 0.25 -0.55 4.33 3.86 -1.63 -0.50 115.15 120.92 2bxy h HIS 507 Ca -0.00 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 2bxy h HIS 507 Cb 0.73 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 2bxy h HIS 507 CO 0.00 0.29 0.06 0.00 0.86 0.00 0.00 177.93 179.14 2bxy h ALA 508 N 0.93 0.73 -0.83 2.45 0.00 -1.08 -0.90 119.26 120.56 2bxy h ALA 508 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2bxy h ALA 508 Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2bxy h ALA 508 CO -0.01 0.50 0.48 -0.09 0.00 0.00 0.00 179.25 180.13 2bxy h ARG 509 N 0.81 1.15 -0.40 0.00 2.43 -1.28 -0.24 114.38 116.85 2bxy h ARG 509 Ca 0.16 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2bxy h ARG 509 Cb 0.45 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2bxy h ARG 509 CO 0.02 0.83 0.05 1.15 -1.51 0.00 0.00 179.97 180.51 2bxy h THR 510 N 1.15 1.25 -0.70 0.20 2.02 -0.83 -2.56 112.91 113.44 2bxy h THR 510 Ca 0.30 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.59 2bxy h THR 510 Cb -0.00 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2bxy h THR 510 CO -0.05 0.31 0.46 0.25 0.37 0.00 0.00 175.52 176.85 2bxy h LEU 511 N 0.52 0.78 -0.99 2.58 5.85 -0.60 -0.32 115.31 123.12 2bxy h LEU 511 Ca 0.12 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2bxy h LEU 511 Cb 0.39 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2bxy h LEU 511 CO 0.01 0.56 0.65 -0.09 -0.34 0.00 0.00 178.44 179.23 2bxy h ARG 512 N 0.92 1.31 -0.27 1.25 2.43 -0.92 -0.52 114.38 118.58 2bxy h ARG 512 Ca 0.26 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2bxy h ARG 512 Cb -0.08 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.17 2bxy h ARG 512 CO -0.07 0.87 0.01 1.25 -1.51 0.00 0.00 179.97 180.52 2bxy h LEU 513 N 1.35 0.47 -0.63 3.80 5.85 -0.98 -1.29 115.31 123.88 2bxy h LEU 513 Ca 0.36 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2bxy h LEU 513 Cb -0.15 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2bxy h LEU 513 CO -0.08 0.65 0.38 1.88 -0.34 0.00 0.00 178.44 180.93 2bxy h TYR 514 N 0.27 0.70 -0.63 1.25 -1.99 -0.72 0.23 116.97 116.08 2bxy h TYR 514 Ca 0.08 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.85 2bxy h TYR 514 Cb 0.41 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 38.88 2bxy h TYR 514 CO 0.03 0.39 0.40 0.00 -0.00 0.00 0.00 178.16 178.98 2bxy h ARG 515 N 0.73 0.78 -0.41 4.88 3.08 -0.96 -0.57 114.38 121.91 2bxy h ARG 515 Ca 0.26 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 2bxy h ARG 515 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2bxy h ARG 515 CO -0.12 0.51 -0.09 -0.44 -1.07 0.00 0.00 179.97 178.76 2bxy h ASP 516 N 0.80 0.79 -0.37 7.04 3.32 -0.57 -1.00 116.42 126.43 2bxy h ASP 516 Ca 0.24 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2bxy h ASP 516 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2bxy h ASP 516 CO -0.08 0.97 0.15 -0.07 -1.72 0.00 0.00 179.24 178.49 2bxy h LEU 517 N 0.61 0.51 -0.97 1.55 3.38 -0.37 -0.53 115.31 119.50 2bxy h LEU 517 Ca 0.11 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2bxy h LEU 517 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2bxy h LEU 517 CO 0.04 0.53 -0.27 -0.07 0.09 0.00 0.00 178.44 178.76 2bxy h LEU 518 N 0.46 0.43 -0.34 1.67 3.38 -0.95 -0.54 115.31 119.41 2bxy h LEU 518 Ca 0.12 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2bxy h LEU 518 Cb 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2bxy h LEU 518 CO -0.01 0.70 0.04 -0.09 0.09 0.00 0.00 178.44 179.16 2bxy h ARG 519 N 0.38 0.58 -0.59 1.13 2.43 -0.98 -1.98 114.38 115.34 2bxy h ARG 519 Ca 0.05 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2bxy h ARG 519 Cb 0.67 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2bxy h ARG 519 CO 0.05 0.67 0.36 -0.07 -1.51 0.00 0.00 179.97 179.48 2bxy h LEU 520 N 0.40 0.71 -0.46 3.80 3.38 -0.79 0.10 115.31 122.45 2bxy h LEU 520 Ca 0.10 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2bxy h LEU 520 Cb 0.39 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2bxy h LEU 520 CO 0.01 0.55 0.17 -0.09 0.09 0.00 0.00 178.44 179.17 2bxy h ARG 521 N 0.80 0.34 -0.54 1.13 2.43 -1.00 0.15 114.38 117.68 2bxy h ARG 521 Ca 0.21 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2bxy h ARG 521 Cb -0.03 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2bxy h ARG 521 CO -0.04 0.22 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.52 2bxy h ARG 522 N 0.35 0.97 0.00 0.20 2.43 -0.96 -3.37 114.38 114.00 2bxy h ARG 522 Ca 0.22 -0.33 -0.29 0.00 -0.81 0.00 0.00 59.98 58.77 2bxy h ARG 522 Cb 0.21 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2bxy h ARG 522 CO -0.21 0.99 -2.16 0.39 -1.51 0.00 0.00 179.97 177.47 2bxy n GLU 523 N -4.24 0.67 -2.51 0.20 1.02 0.32 -4.93 120.64 111.17 2bxy n GLU 523 Ca 0.02 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 2bxy n GLU 523 Cb 0.35 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 2bxy n GLU 523 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bxy s ASP 524 N -5.44 6.96 0.50 1.62 2.15 0.48 -4.91 116.67 118.03 2bxy s ASP 524 Ca -0.08 1.50 0.25 0.00 0.43 0.00 0.00 52.55 54.64 2bxy s ASP 524 Cb 0.08 -2.54 1.30 0.00 -0.30 0.00 0.00 42.92 41.46 2bxy s ASP 524 CO 0.84 -0.77 2.02 1.55 -0.17 0.00 0.00 175.17 178.63 2bxy h PRO 525 N 8.08 0.00 0.21 4.34 0.13 -1.91 -2.36 132.00 140.48 2bxy h PRO 525 Ca -0.24 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.56 2bxy h PRO 525 Cb 1.09 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.24 2bxy h PRO 525 CO 0.98 0.16 -1.59 0.28 -0.23 0.00 0.00 178.00 177.60 2bxy h VAL 526 N 0.00 1.14 0.00 1.56 2.07 -1.91 -3.22 116.25 115.89 2bxy h VAL 526 Ca -0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2bxy h VAL 526 Cb 0.40 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2bxy h VAL 526 CO 0.02 0.84 0.00 -0.07 0.02 0.00 0.00 177.57 178.38 2bxy h LEU 527 N 0.12 0.00 -2.00 2.57 3.38 -1.82 -1.18 115.31 116.37 2bxy h LEU 527 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2bxy h LEU 527 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 2bxy h LEU 527 CO 0.22 0.00 0.00 0.45 0.09 0.00 0.00 178.44 179.20 2bxy h HIS 528 N 0.00 0.00 -1.55 1.13 3.86 -1.44 -3.45 115.15 113.69 2bxy h HIS 528 Ca 0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 2bxy h HIS 528 Cb 0.18 0.00 0.07 0.00 1.06 0.00 0.00 27.41 28.73 2bxy h HIS 528 CO 0.00 0.00 0.15 -1.71 0.86 0.00 0.00 177.93 177.23 2bxy n ASN 529 N -2.75 0.74 -0.41 2.45 5.15 -0.45 -4.90 115.26 115.09 2bxy n ASN 529 Ca -0.01 1.14 0.05 0.00 -0.60 0.00 0.00 54.58 55.15 2bxy n ASN 529 Cb 0.12 -1.11 0.07 0.00 -0.53 0.00 0.00 39.78 38.33 2bxy n ASN 529 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2bxy n ARG 530 N 1.72 0.61 -4.50 1.20 5.12 -1.26 -4.59 116.66 114.96 2bxy n ARG 530 Ca 0.17 -1.85 -0.33 0.00 -1.93 0.00 0.00 57.85 53.91 2bxy n ARG 530 Cb 0.20 -0.93 -0.15 0.00 -1.16 0.00 0.00 32.46 30.42 2bxy n ARG 530 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2bxy s GLN 531 N -1.35 3.28 0.54 5.56 -0.21 -1.26 -3.88 119.66 122.34 2bxy s GLN 531 Ca 0.18 -0.72 0.27 0.00 0.02 0.00 0.00 55.36 55.11 2bxy s GLN 531 Cb 0.16 -2.68 1.53 0.00 1.00 0.00 0.00 33.01 33.03 2bxy s GLN 531 CO -0.01 0.04 2.13 0.00 -2.12 0.00 0.00 175.29 175.33 2bxy h ARG 532 N 7.26 0.00 -0.32 2.91 3.08 -1.93 -1.80 114.38 123.58 2bxy h ARG 532 Ca -0.32 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.82 2bxy h ARG 532 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 2bxy h ARG 532 CO 0.57 0.08 0.25 1.49 -1.07 0.00 0.00 179.97 181.29 2bxy h GLU 533 N 0.00 0.00 -0.11 0.04 4.81 -1.99 -1.82 114.58 115.50 2bxy h GLU 533 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bxy h GLU 533 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2bxy h GLU 533 CO 0.01 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.38 2bxy n ASN 534 N -4.34 2.56 -4.39 1.04 3.02 -0.68 -4.90 115.26 107.58 2bxy n ASN 534 Ca 0.05 -1.84 -0.34 0.00 -0.03 0.00 0.00 54.58 52.42 2bxy n ASN 534 Cb 0.42 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.39 2bxy n ASN 534 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2bxy s LEU 535 N -1.85 2.92 0.15 3.41 2.96 -0.69 -1.84 118.68 123.75 2bxy s LEU 535 Ca 0.33 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 2bxy s LEU 535 Cb 0.20 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2bxy s LEU 535 CO 0.31 0.11 -0.12 0.42 -1.32 0.00 0.00 176.35 175.74 2bxy s THR 536 N 0.72 1.33 0.08 3.68 -4.23 0.32 -4.97 115.64 112.58 2bxy s THR 536 Ca -0.04 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.45 2bxy s THR 536 Cb -0.15 -1.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 2bxy s THR 536 CO 0.02 -0.63 0.04 0.42 -0.54 0.00 0.00 174.62 173.93 2bxy s THR 537 N -2.93 0.17 0.00 3.99 -4.23 -1.26 -0.18 115.64 111.19 2bxy s THR 537 Ca 0.16 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2bxy s THR 537 Cb -0.00 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.17 2bxy s THR 537 CO 0.03 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 2bxy n GLY 538 N 0.01 0.96 3.33 3.99 0.00 -0.74 -4.97 105.19 107.77 2bxy n GLY 538 Ca -0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 2bxy n GLY 538 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bxy s HIS 539 N -3.08 -0.26 -0.26 1.61 -3.43 -1.26 -1.22 115.29 107.38 2bxy s HIS 539 Ca 0.00 0.09 -0.02 0.00 -0.80 0.00 0.00 55.06 54.34 2bxy s HIS 539 Cb 0.00 0.26 0.08 0.00 -1.43 0.00 0.00 32.58 31.50 2bxy s HIS 539 CO 0.00 -0.65 0.07 0.34 -2.00 0.00 0.00 174.74 172.50 2bxy s ASP 540 N -2.41 3.62 1.89 7.38 2.15 0.31 -4.99 116.67 124.61 2bxy s ASP 540 Ca -0.01 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.66 2bxy s ASP 540 Cb 0.01 -0.77 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 2bxy s ASP 540 CO -0.07 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2bxy n GLY 541 N 4.93 4.15 1.28 2.66 0.00 -1.26 -1.39 105.19 115.56 2bxy n GLY 541 Ca -0.05 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2bxy n GLY 541 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bxy n ASP 542 N 9.03 3.73 -4.58 1.61 8.00 -1.26 -4.59 116.55 128.49 2bxy n ASP 542 Ca 0.00 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.10 2bxy n ASP 542 Cb 0.00 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.60 2bxy n ASP 542 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bxy s VAL 543 N -1.16 5.11 0.10 2.53 1.01 -0.48 -0.58 120.40 126.91 2bxy s VAL 543 Ca 0.46 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.65 2bxy s VAL 543 Cb 0.24 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 2bxy s VAL 543 CO 0.32 -0.02 0.67 -0.22 0.00 0.00 0.00 175.10 175.86 2bxy s LEU 544 N 2.19 4.53 0.06 3.92 2.96 -0.46 -0.53 118.68 131.35 2bxy s LEU 544 Ca 0.16 1.42 0.07 0.00 -0.22 0.00 0.00 54.13 55.56 2bxy s LEU 544 Cb -0.16 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 2bxy s LEU 544 CO 0.11 0.20 -0.19 -1.66 -1.32 0.00 0.00 176.35 173.49 2bxy s TRP 545 N -0.88 1.61 -0.11 5.38 1.48 -0.35 -1.02 118.94 125.05 2bxy s TRP 545 Ca 0.33 -0.38 -0.02 0.00 -1.06 0.00 0.00 56.10 54.97 2bxy s TRP 545 Cb -0.21 -0.94 0.04 0.00 -1.16 0.00 0.00 33.47 31.20 2bxy s TRP 545 CO 0.22 0.10 0.02 0.08 -4.06 0.00 0.00 176.95 173.31 2bxy s VAL 546 N -0.92 0.32 -0.09 -0.66 1.01 -0.04 -1.79 120.40 118.24 2bxy s VAL 546 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2bxy s VAL 546 Cb -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2bxy s VAL 546 CO 0.02 0.09 -0.11 -0.60 0.00 0.00 0.00 175.10 174.50 2bxy s ARG 547 N 1.98 2.91 -0.09 2.72 3.52 0.74 -0.71 118.95 130.02 2bxy s ARG 547 Ca 0.03 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2bxy s ARG 547 Cb -0.14 -2.55 0.01 0.00 -1.56 0.00 0.00 34.95 30.71 2bxy s ARG 547 CO -0.06 0.49 -0.19 0.99 -0.81 0.00 0.00 175.30 175.71 2bxy s THR 548 N -0.35 1.70 -0.09 4.11 2.01 -0.12 -0.52 115.64 122.38 2bxy s THR 548 Ca 0.04 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2bxy s THR 548 Cb -0.12 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2bxy s THR 548 CO 0.02 0.48 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 2bxy s VAL 549 N 0.48 0.64 0.40 3.82 1.01 -0.77 -0.90 120.40 125.09 2bxy s VAL 549 Ca -0.17 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2bxy s VAL 549 Cb -0.17 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2bxy s VAL 549 CO 0.07 0.29 0.17 0.42 0.00 0.00 0.00 175.10 176.04 2bxy s THR 550 N 1.86 0.43 -0.18 3.92 -4.23 -0.36 -4.71 115.64 112.37 2bxy s THR 550 Ca 0.05 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.79 2bxy s THR 550 Cb -0.13 -2.34 0.23 0.00 1.34 0.00 0.00 72.50 71.60 2bxy s THR 550 CO -0.07 0.00 1.70 1.23 -0.54 0.00 0.00 174.62 176.95 2bxy h GLY 551 N 1.82 0.00 1.44 3.99 0.00 -2.00 -1.83 103.07 106.50 2bxy h GLY 551 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2bxy h GLY 551 CO 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.71 2bxy n ALA 552 N -1.79 2.87 0.00 3.60 0.00 -1.26 -5.05 120.51 118.87 2bxy n ALA 552 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2bxy n ALA 552 Cb 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2bxy n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bxy n GLY 553 N 1.42 0.93 2.96 0.00 0.00 -0.69 -4.79 105.19 105.02 2bxy n GLY 553 Ca 0.05 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 2bxy n GLY 553 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bxy s GLU 554 N -1.80 0.43 0.02 1.61 2.12 -1.26 -1.23 118.70 118.59 2bxy s GLU 554 Ca 0.00 -0.22 0.06 0.00 0.36 0.00 0.00 54.97 55.17 2bxy s GLU 554 Cb 0.00 -0.41 -0.02 0.00 0.26 0.00 0.00 34.13 33.96 2bxy s GLU 554 CO 0.00 0.11 -0.18 1.03 -0.54 0.00 0.00 175.26 175.68 2bxy s ARG 555 N -0.19 1.28 -0.08 4.30 1.81 -0.08 -4.38 118.95 121.60 2bxy s ARG 555 Ca 0.01 -0.78 0.01 0.00 -1.72 0.00 0.00 55.73 53.26 2bxy s ARG 555 Cb -0.02 -1.31 0.02 0.00 -0.45 0.00 0.00 34.95 33.18 2bxy s ARG 555 CO -0.00 0.34 -0.10 0.08 -0.68 0.00 0.00 175.30 174.94 2bxy s VAL 556 N -0.67 1.07 -0.26 3.52 1.01 -0.40 -0.94 120.40 123.73 2bxy s VAL 556 Ca 0.06 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 2bxy s VAL 556 Cb -0.08 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2bxy s VAL 556 CO 0.01 0.35 0.31 -0.22 0.00 0.00 0.00 175.10 175.55 2bxy s LEU 557 N 1.04 4.05 -0.13 3.92 2.96 0.11 -1.12 118.68 129.51 2bxy s LEU 557 Ca -0.08 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2bxy s LEU 557 Cb -0.15 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2bxy s LEU 557 CO -0.01 -0.11 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.06 2bxy s LEU 558 N 1.80 2.93 -0.16 -0.68 1.02 0.16 -0.86 118.68 122.89 2bxy s LEU 558 Ca 0.13 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.04 2bxy s LEU 558 Cb -0.15 -1.68 0.03 0.00 0.02 0.00 0.00 46.19 44.41 2bxy s LEU 558 CO 0.09 0.18 -0.10 0.86 0.02 0.00 0.00 176.35 177.40 2bxy s TRP 559 N 0.25 2.08 -0.72 0.29 -0.00 -0.19 -0.70 118.94 119.96 2bxy s TRP 559 Ca -0.07 -1.26 -0.25 0.00 -0.00 0.00 0.00 56.10 54.52 2bxy s TRP 559 Cb -0.15 -1.51 0.04 0.00 -0.00 0.00 0.00 33.47 31.85 2bxy s TRP 559 CO 0.04 -0.67 1.18 1.21 -0.00 0.00 0.00 176.95 178.72 2bxy s ASN 560 N 1.51 6.17 0.07 5.86 2.47 0.17 -1.35 114.94 129.83 2bxy s ASN 560 Ca 0.02 -0.65 0.27 0.00 0.42 0.00 0.00 52.86 52.93 2bxy s ASN 560 Cb -0.14 -2.51 1.07 0.00 -1.45 0.00 0.00 41.25 38.21 2bxy s ASN 560 CO -0.09 -1.70 1.85 0.18 -3.72 0.00 0.00 177.10 173.62 2bxy n LEU 561 N 8.82 0.26 -4.74 3.21 7.99 0.25 0.06 117.00 132.84 2bxy n LEU 561 Ca 0.01 0.53 -0.30 0.00 -0.01 0.00 0.00 56.01 56.24 2bxy n LEU 561 Cb 0.48 -0.45 0.22 0.00 -0.11 0.00 0.00 43.42 43.56 2bxy n LEU 561 CO 0.69 -0.08 0.74 -0.83 -1.51 0.00 0.00 177.39 176.39 2bxy s GLY 562 N -3.18 1.67 0.00 -0.72 0.00 -1.23 -4.66 107.32 99.19 2bxy s GLY 562 Ca 0.12 -1.07 0.24 0.00 0.00 0.00 0.00 44.72 44.01 2bxy s GLY 562 CO 0.53 -0.23 1.26 -1.06 0.00 0.00 0.00 173.10 173.59 2bxy n GLN 563 N -4.32 0.67 -3.94 2.90 1.13 -1.26 -3.51 117.38 109.05 2bxy n GLN 563 Ca 0.14 -0.49 -0.27 0.00 -1.94 0.00 0.00 57.00 54.44 2bxy n GLN 563 Cb 0.59 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.44 2bxy n GLN 563 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2bxy n ASP 564 N -0.73 2.85 -4.82 1.08 5.75 -1.26 -4.70 116.55 114.72 2bxy n ASP 564 Ca 0.09 -2.92 -0.38 0.00 -0.01 0.00 0.00 54.79 51.57 2bxy n ASP 564 Cb 0.38 0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 2bxy n ASP 564 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2bxy s THR 565 N -2.71 5.14 -0.08 2.12 2.01 -1.26 -2.95 115.64 117.91 2bxy s THR 565 Ca 0.25 0.72 0.01 0.00 0.31 0.00 0.00 61.69 62.98 2bxy s THR 565 Cb -0.02 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.84 2bxy s THR 565 CO 0.16 0.54 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.41 2bxy s ARG 566 N -0.76 1.54 0.18 4.92 1.81 -0.30 -4.98 118.95 121.36 2bxy s ARG 566 Ca 0.22 -0.32 -0.29 0.00 -1.72 0.00 0.00 55.73 53.62 2bxy s ARG 566 Cb -0.15 -1.41 -0.08 0.00 -0.45 0.00 0.00 34.95 32.86 2bxy s ARG 566 CO 0.11 -0.09 0.91 0.00 -0.68 0.00 0.00 175.30 175.54 2bxy s ALA 567 N 1.08 3.33 0.30 2.13 0.00 -1.26 0.01 121.76 127.36 2bxy s ALA 567 Ca -0.07 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 2bxy s ALA 567 Cb -0.14 -3.18 0.51 0.00 0.00 0.00 0.00 23.12 20.31 2bxy s ALA 567 CO -0.01 0.14 1.94 0.28 0.00 0.00 0.00 175.76 178.11 2bxy h VAL 568 N 3.50 1.12 -0.06 0.00 2.07 -1.61 -1.18 116.25 120.09 2bxy h VAL 568 Ca -0.45 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2bxy h VAL 568 Cb 1.20 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2bxy h VAL 568 CO 0.69 0.19 0.07 0.00 0.02 0.00 0.00 177.57 178.54 2bxy h ALA 569 N 1.50 1.60 -0.30 1.67 0.00 -1.93 -1.78 119.26 120.03 2bxy h ALA 569 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2bxy h ALA 569 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bxy h ALA 569 CO -0.11 -0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.43 2bxy n GLU 570 N -3.80 2.34 -2.74 0.00 1.02 -0.45 -4.89 120.64 112.12 2bxy n GLU 570 Ca -0.02 -2.01 -0.42 0.00 -0.02 0.00 0.00 57.16 54.69 2bxy n GLU 570 Cb 0.16 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2bxy n GLU 570 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bxy s VAL 571 N -1.62 4.80 -0.20 2.62 1.01 -0.67 -5.00 120.40 121.35 2bxy s VAL 571 Ca 0.36 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.98 2bxy s VAL 571 Cb 0.22 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 2bxy s VAL 571 CO 0.31 -0.01 1.19 -0.54 0.00 0.00 0.00 175.10 176.04 2bxy s LYS 572 N 2.21 4.22 0.02 2.72 1.02 -1.26 -5.02 119.74 123.65 2bxy s LYS 572 Ca 0.45 1.53 0.04 0.00 0.02 0.00 0.00 55.97 58.01 2bxy s LYS 572 Cb -0.17 -3.73 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 2bxy s LYS 572 CO 0.15 -0.71 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.24 2bxy s LEU 573 N 3.45 2.13 -0.00 3.17 1.43 -1.26 -4.64 118.68 122.96 2bxy s LEU 573 Ca 0.51 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2bxy s LEU 573 Cb -0.19 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.52 2bxy s LEU 573 CO 0.12 0.03 0.56 -0.81 0.23 0.00 0.00 176.35 176.48 2bxy n PRO 574 N 2.15 1.04 -3.88 1.29 -0.04 -1.26 -4.77 135.00 129.54 2bxy n PRO 574 Ca -0.17 -0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.16 2bxy n PRO 574 Cb 0.55 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 2bxy n PRO 574 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2bxy s PHE 575 N -0.94 0.11 -0.20 0.54 -0.12 -1.26 -5.13 117.98 110.99 2bxy s PHE 575 Ca 0.01 -0.48 -0.29 0.00 -0.05 0.00 0.00 56.93 56.11 2bxy s PHE 575 Cb 0.00 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 2bxy s PHE 575 CO 0.00 -0.97 1.01 0.99 -0.05 0.00 0.00 175.22 176.20 2bxy s THR 576 N -3.95 4.72 0.22 -4.49 2.01 -1.26 -5.00 115.64 107.90 2bxy s THR 576 Ca 0.16 1.99 -0.32 0.00 0.31 0.00 0.00 61.69 63.83 2bxy s THR 576 Cb -0.01 -4.29 -0.13 0.00 0.01 0.00 0.00 72.50 68.08 2bxy s THR 576 CO 0.04 -0.13 1.61 0.55 -0.69 0.00 0.00 174.62 176.00 2bxy n VAL 577 N 5.12 0.41 -1.30 3.82 3.14 -1.26 -4.98 118.33 123.28 2bxy n VAL 577 Ca 0.11 -0.10 -0.35 0.00 -2.96 0.00 0.00 64.34 61.04 2bxy n VAL 577 Cb 0.47 -1.81 0.10 0.00 -1.06 0.00 0.00 33.84 31.54 2bxy n VAL 577 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2bxy n PRO 578 N 3.08 0.45 -0.01 1.45 -0.02 -1.26 -4.98 135.00 133.72 2bxy n PRO 578 Ca 0.14 0.22 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 2bxy n PRO 578 Cb 0.33 -2.35 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 2bxy n PRO 578 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bxy n ARG 579 N -2.44 0.67 -3.09 -0.52 1.74 -1.20 -4.66 116.66 107.16 2bxy n ARG 579 Ca 0.14 -0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 2bxy n ARG 579 Cb 0.50 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 2bxy n ARG 579 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2bxy s ARG 580 N -3.06 4.22 -0.05 5.56 3.52 -0.53 -4.92 118.95 123.69 2bxy s ARG 580 Ca -0.04 0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 2bxy s ARG 580 Cb 0.11 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2bxy s ARG 580 CO 0.69 -0.25 1.59 -1.17 -0.81 0.00 0.00 175.30 175.35 2bxy s LEU 581 N 1.95 4.31 -0.22 -0.88 1.98 -1.26 -1.02 118.68 123.55 2bxy s LEU 581 Ca 0.30 2.19 0.03 0.00 -2.89 0.00 0.00 54.13 53.76 2bxy s LEU 581 Cb -0.16 -3.54 -0.15 0.00 0.66 0.00 0.00 46.19 43.00 2bxy s LEU 581 CO 0.11 -0.89 -0.18 0.18 -1.89 0.00 0.00 176.35 173.68 2bxy n LEU 582 N 6.82 2.74 -3.68 -0.68 4.77 0.17 -4.94 117.00 122.19 2bxy n LEU 582 Ca 0.16 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2bxy n LEU 582 Cb 0.43 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 2bxy n LEU 582 CO 0.61 0.84 0.21 -0.22 -1.33 0.00 0.00 177.39 177.50 2bxy s LEU 583 N -6.21 0.06 -0.07 2.23 0.20 -0.93 -4.99 118.68 108.97 2bxy s LEU 583 Ca -0.28 0.82 0.02 0.00 0.69 0.00 0.00 54.13 55.38 2bxy s LEU 583 Cb 0.07 1.81 0.01 0.00 -0.43 0.00 0.00 46.19 47.66 2bxy s LEU 583 CO 0.53 -0.30 -0.12 -2.28 -0.29 0.00 0.00 176.35 173.89 2bxy s HIS 584 N -0.26 1.48 0.35 5.38 5.65 -1.26 -0.94 115.29 125.69 2bxy s HIS 584 Ca -0.04 -0.56 0.37 0.00 0.25 0.00 0.00 55.06 55.08 2bxy s HIS 584 Cb -0.03 -1.09 1.95 0.00 -1.18 0.00 0.00 32.58 32.22 2bxy s HIS 584 CO 0.03 -0.30 2.14 1.79 -0.65 0.00 0.00 174.74 177.75 2bxy h THR 585 N 5.98 0.00 -0.19 0.89 1.35 -1.45 0.14 112.91 119.63 2bxy h THR 585 Ca -0.31 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2bxy h THR 585 Cb 1.18 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2bxy h THR 585 CO 0.47 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.12 2bxy n GLU 586 N -2.87 2.52 -1.43 4.72 -0.58 -1.26 -4.95 120.64 116.79 2bxy n GLU 586 Ca -0.02 -2.50 -0.14 0.00 -0.42 0.00 0.00 57.16 54.07 2bxy n GLU 586 Cb 0.11 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 2bxy n GLU 586 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bxy n GLY 587 N -0.55 1.47 3.77 0.62 0.00 0.04 -4.97 105.19 105.56 2bxy n GLY 587 Ca 0.16 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2bxy n GLY 587 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bxy s ARG 588 N -3.24 3.28 0.06 1.61 0.52 -1.26 -4.98 118.95 114.93 2bxy s ARG 588 Ca 0.00 1.65 0.10 0.00 -0.52 0.00 0.00 55.73 56.96 2bxy s ARG 588 Cb 0.00 -1.99 -0.21 0.00 0.52 0.00 0.00 34.95 33.27 2bxy s ARG 588 CO 0.00 -0.92 1.02 0.93 0.02 0.00 0.00 175.30 176.35 2bxy h GLU 589 N 1.13 0.00 -6.23 3.54 5.08 -1.97 -3.44 114.58 112.69 2bxy h GLU 589 Ca -0.50 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.40 2bxy h GLU 589 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2bxy h GLU 589 CO 0.57 0.75 -0.41 -0.51 -1.00 0.00 0.00 179.01 178.40 2bxy s ASP 590 N -6.41 6.06 -1.33 1.42 1.01 -1.26 -5.01 116.67 111.15 2bxy s ASP 590 Ca -0.01 -0.08 -0.12 0.00 0.71 0.00 0.00 52.55 53.04 2bxy s ASP 590 Cb 0.09 -1.55 0.12 0.00 1.01 0.00 0.00 42.92 42.59 2bxy s ASP 590 CO 0.82 -0.20 1.92 0.18 0.21 0.00 0.00 175.17 178.10 2bxy n LEU 591 N -1.46 6.39 -3.73 1.23 4.77 -1.26 -4.87 117.00 118.06 2bxy n LEU 591 Ca -0.06 -4.40 -0.18 0.00 -0.03 0.00 0.00 56.01 51.34 2bxy n LEU 591 Cb 0.58 -1.58 -0.17 0.00 -2.33 0.00 0.00 43.42 39.92 2bxy n LEU 591 CO 0.44 1.10 -0.35 -0.89 -1.33 0.00 0.00 177.39 176.36 2bxy s THR 592 N 1.76 -0.01 -0.40 -5.08 2.01 -1.26 -1.40 115.64 111.26 2bxy s THR 592 Ca 0.44 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.62 2bxy s THR 592 Cb 0.09 -0.18 0.06 0.00 0.01 0.00 0.00 72.50 72.48 2bxy s THR 592 CO -0.02 0.15 0.23 -0.76 -0.69 0.00 0.00 174.62 173.53 2bxy s LEU 593 N 1.62 4.95 1.04 4.42 1.43 0.10 -4.97 118.68 127.26 2bxy s LEU 593 Ca -0.02 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 51.66 2bxy s LEU 593 Cb -0.13 -1.99 0.21 0.00 0.03 0.00 0.00 46.19 44.31 2bxy s LEU 593 CO -0.03 -0.47 1.06 0.61 0.23 0.00 0.00 176.35 177.75 2bxy n GLY 594 N 4.94 -1.17 3.66 -3.19 0.00 -1.26 -1.15 105.19 107.02 2bxy n GLY 594 Ca -0.11 -0.93 -0.54 0.00 0.00 0.00 0.00 46.02 44.45 2bxy n GLY 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bxy n ALA 595 N -4.59 -0.21 -0.58 4.61 0.00 -1.15 -1.29 120.51 117.30 2bxy n ALA 595 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2bxy n ALA 595 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2bxy n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bxy n GLY 596 N 3.60 1.31 3.91 0.00 0.00 0.11 -4.68 105.19 109.44 2bxy n GLY 596 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2bxy n GLY 596 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bxy s GLU 597 N -0.20 3.57 0.09 1.61 2.02 -0.41 -3.82 118.70 121.56 2bxy s GLU 597 Ca 0.00 0.06 0.03 0.00 0.02 0.00 0.00 54.97 55.08 2bxy s GLU 597 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2bxy s GLU 597 CO 0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 175.26 175.16 2bxy s ALA 598 N -2.49 1.03 0.01 5.21 0.00 -1.26 -0.66 121.76 123.60 2bxy s ALA 598 Ca 0.45 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2bxy s ALA 598 Cb -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2bxy s ALA 598 CO 0.39 -0.06 -0.04 0.54 0.00 0.00 0.00 175.76 176.59 2bxy s VAL 599 N -2.45 0.25 -0.21 0.00 0.11 0.13 -1.01 120.40 117.22 2bxy s VAL 599 Ca 0.04 -0.40 -0.06 0.00 -2.93 0.00 0.00 61.98 58.63 2bxy s VAL 599 Cb -0.03 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2bxy s VAL 599 CO -0.01 -0.10 0.04 -0.22 -3.33 0.00 0.00 175.10 171.48 2bxy s LEU 600 N -0.53 3.44 0.18 2.54 2.96 -0.12 -0.67 118.68 126.49 2bxy s LEU 600 Ca -0.03 -0.14 0.11 0.00 -0.22 0.00 0.00 54.13 53.85 2bxy s LEU 600 Cb -0.04 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2bxy s LEU 600 CO -0.00 0.06 -0.23 0.68 -1.32 0.00 0.00 176.35 175.54 2bxy s VAL 601 N 1.02 2.43 0.00 1.68 -7.23 -0.27 -0.66 120.40 117.37 2bxy s VAL 601 Ca 0.03 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2bxy s VAL 601 Cb -0.14 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2bxy s VAL 601 CO 0.02 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.33