#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dbx n GLU 8 N 0.00 1.55 0.23 0.54 0.28 -1.26 -4.41 120.64 117.57 3dbx n GLU 8 Ca 0.00 -1.38 0.09 0.00 -0.16 0.00 0.00 57.16 55.71 3dbx n GLU 8 Cb 0.00 -0.90 0.57 0.00 1.43 0.00 0.00 31.44 32.54 3dbx n GLU 8 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3dbx h GLU 9 N 0.00 0.00 0.00 3.44 5.08 -1.97 -3.10 114.58 118.03 3dbx h GLU 9 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dbx h GLU 9 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3dbx h GLU 9 CO 0.00 0.21 0.00 1.03 -1.00 0.00 0.00 179.01 179.25 3dbx h SER 10 N 0.00 0.00 -0.75 1.42 0.87 -1.95 -2.91 113.55 110.23 3dbx h SER 10 Ca -0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 3dbx h SER 10 Cb 0.49 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.12 3dbx h SER 10 CO 0.03 0.00 -0.21 0.00 -0.53 0.00 0.00 176.83 176.11 3dbx n GLN 11 N -2.36 3.04 -4.03 2.24 6.02 -1.17 -4.54 117.38 116.58 3dbx n GLN 11 Ca 0.04 -3.75 -0.32 0.00 -0.01 0.00 0.00 57.00 52.95 3dbx n GLN 11 Cb 0.33 -2.20 -0.15 0.00 1.02 0.00 0.00 30.24 29.24 3dbx n GLN 11 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3dbx s PHE 12 N -3.61 3.44 -0.21 1.08 5.36 -1.11 -1.05 117.98 121.89 3dbx s PHE 12 Ca 0.54 -2.53 -0.11 0.00 -0.96 0.00 0.00 56.93 53.87 3dbx s PHE 12 Cb 0.44 -2.31 -0.05 0.00 -0.34 0.00 0.00 43.02 40.76 3dbx s PHE 12 CO 0.02 -0.90 0.17 0.12 -1.46 0.00 0.00 175.22 173.17 3dbx s PHE 13 N 1.05 3.37 0.05 10.12 5.36 0.52 -1.99 117.98 136.45 3dbx s PHE 13 Ca -0.02 0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.31 3dbx s PHE 13 Cb -0.20 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.22 3dbx s PHE 13 CO -0.06 0.17 -0.11 -0.65 -1.46 0.00 0.00 175.22 173.12 3dbx s GLN 14 N 0.72 0.69 -0.05 10.12 -0.21 -0.33 -0.21 119.66 130.39 3dbx s GLN 14 Ca 0.09 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.73 3dbx s GLN 14 Cb -0.12 -0.60 0.01 0.00 1.00 0.00 0.00 33.01 33.29 3dbx s GLN 14 CO 0.02 0.13 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.67 3dbx s LEU 15 N -1.43 1.78 -0.13 2.90 1.43 -0.20 -0.43 118.68 122.60 3dbx s LEU 15 Ca -0.04 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3dbx s LEU 15 Cb -0.09 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.30 3dbx s LEU 15 CO 0.01 0.08 -0.12 -0.36 0.23 0.00 0.00 176.35 176.20 3dbx s PHE 16 N 0.36 1.90 -0.03 0.29 0.08 -0.41 -1.26 117.98 118.92 3dbx s PHE 16 Ca -0.09 -1.02 0.04 0.00 0.12 0.00 0.00 56.93 55.97 3dbx s PHE 16 Cb -0.13 -1.45 -0.00 0.00 -0.57 0.00 0.00 43.02 40.86 3dbx s PHE 16 CO 0.03 -0.60 -0.13 0.71 -0.10 0.00 0.00 175.22 175.13 3dbx s TYR 17 N 1.52 1.30 -0.12 0.36 2.02 -0.10 -1.13 117.35 121.19 3dbx s TYR 17 Ca 0.04 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 3dbx s TYR 17 Cb -0.13 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.58 3dbx s TYR 17 CO -0.09 -0.09 -0.15 0.99 -1.57 0.00 0.00 175.55 174.64 3dbx s THR 18 N -0.06 1.55 -0.35 -0.71 2.01 -0.19 -0.36 115.64 117.54 3dbx s THR 18 Ca 0.00 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 3dbx s THR 18 Cb -0.08 -1.43 0.09 0.00 0.01 0.00 0.00 72.50 71.09 3dbx s THR 18 CO 0.01 0.45 0.08 -0.76 -0.69 0.00 0.00 174.62 173.71 3dbx s LEU 19 N 1.17 4.62 -0.45 4.42 1.02 0.37 -1.77 118.68 128.06 3dbx s LEU 19 Ca -0.02 -1.82 -0.17 0.00 0.02 0.00 0.00 54.13 52.13 3dbx s LEU 19 Cb -0.14 -1.72 0.04 0.00 0.02 0.00 0.00 46.19 44.39 3dbx s LEU 19 CO -0.05 -0.40 0.46 -0.22 0.02 0.00 0.00 176.35 176.16 3dbx s LEU 20 N 1.10 5.09 -0.92 1.79 2.96 -0.64 -0.56 118.68 127.50 3dbx s LEU 20 Ca 0.04 -0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 52.90 3dbx s LEU 20 Cb -0.21 -2.33 0.20 0.00 0.50 0.00 0.00 46.19 44.35 3dbx s LEU 20 CO -0.05 -0.65 0.96 -0.76 -1.32 0.00 0.00 176.35 174.54 3dbx s LEU 21 N 2.08 6.09 0.00 -0.68 1.02 0.52 -1.04 118.68 126.67 3dbx s LEU 21 Ca 0.10 -2.63 0.00 0.00 0.02 0.00 0.00 54.13 51.62 3dbx s LEU 21 Cb -0.19 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.74 3dbx s LEU 21 CO 0.11 -0.70 0.82 0.61 0.02 0.00 0.00 176.35 177.21 3dbx n GLY 22 N 4.28 -2.74 0.00 -3.19 0.00 -0.91 -1.87 105.19 100.76 3dbx n GLY 22 Ca 0.20 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3dbx n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dbx n ASN 23 N -1.57 1.23 -0.26 1.61 0.23 -1.25 -3.68 115.26 111.56 3dbx n ASN 23 Ca 0.00 -0.92 -0.01 0.00 -0.53 0.00 0.00 54.58 53.11 3dbx n ASN 23 Cb 0.00 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.81 3dbx n ASN 23 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3dbx h VAL 24 N 0.92 1.01 -0.32 3.53 3.04 -2.01 -2.50 116.25 119.94 3dbx h VAL 24 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3dbx h VAL 24 Cb 0.00 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.42 3dbx h VAL 24 CO 0.00 0.15 0.00 -1.54 -1.01 0.00 0.00 177.57 175.17 3dbx n SER 25 N -4.72 1.88 -3.95 3.17 3.41 -1.26 -4.89 113.62 107.27 3dbx n SER 25 Ca 0.09 -1.93 -0.26 0.00 -0.26 0.00 0.00 58.87 56.51 3dbx n SER 25 Cb 0.16 -0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 63.73 3dbx n SER 25 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dbx s SER 26 N -1.14 2.11 -0.04 4.04 0.15 -0.94 -5.10 113.70 112.78 3dbx s SER 26 Ca 0.26 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.64 3dbx s SER 26 Cb 0.14 -0.87 -0.00 0.00 -1.71 0.00 0.00 66.02 63.58 3dbx s SER 26 CO 0.19 -0.07 -0.18 -0.89 1.20 0.00 0.00 173.24 173.49 3dbx s THR 27 N 1.42 1.47 -0.12 6.45 2.01 -1.26 -2.13 115.64 123.47 3dbx s THR 27 Ca -0.00 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.27 3dbx s THR 27 Cb -0.13 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 3dbx s THR 27 CO -0.05 0.42 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.53 3dbx s GLU 28 N 0.03 3.30 0.06 4.92 2.02 -0.21 -5.00 118.70 123.83 3dbx s GLU 28 Ca -0.04 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.30 3dbx s GLU 28 Cb -0.12 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 3dbx s GLU 28 CO 0.02 0.19 -0.19 -0.51 0.02 0.00 0.00 175.26 174.79 3dbx s LEU 29 N 0.38 2.57 0.06 1.80 1.43 -1.26 -1.62 118.68 122.03 3dbx s LEU 29 Ca -0.12 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3dbx s LEU 29 Cb -0.16 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3dbx s LEU 29 CO 0.06 0.24 -0.09 0.42 0.23 0.00 0.00 176.35 177.20 3dbx s THR 30 N -0.97 0.72 -0.17 5.49 -4.23 -0.73 -4.29 115.64 111.47 3dbx s THR 30 Ca 0.15 -1.26 -0.29 0.00 -1.18 0.00 0.00 61.69 59.10 3dbx s THR 30 Cb -0.10 -0.88 0.12 0.00 1.34 0.00 0.00 72.50 72.98 3dbx s THR 30 CO 0.06 -0.41 0.97 -0.83 -0.54 0.00 0.00 174.62 173.87 3dbx s GLY 31 N -1.83 -0.28 0.00 3.99 0.00 -1.26 -1.02 107.32 106.92 3dbx s GLY 31 Ca -0.05 2.06 -0.00 0.00 0.00 0.00 0.00 44.72 46.73 3dbx s GLY 31 CO 0.00 1.14 0.00 -0.29 0.00 0.00 0.00 173.10 173.95 3dbx s MET 32 N -0.92 0.11 -0.09 2.90 1.75 -0.29 -0.22 119.30 122.55 3dbx s MET 32 Ca -0.02 -0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.25 3dbx s MET 32 Cb -0.01 0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.68 3dbx s MET 32 CO 0.01 -0.02 -0.12 0.00 -0.65 0.00 0.00 175.02 174.25 3dbx s ALA 33 N -0.48 2.74 -0.01 4.11 0.00 -0.16 -1.29 121.76 126.68 3dbx s ALA 33 Ca -0.05 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.04 3dbx s ALA 33 Cb -0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3dbx s ALA 33 CO -0.00 0.44 -0.16 -0.51 0.00 0.00 0.00 175.76 175.53 3dbx s LEU 34 N -0.34 2.04 -0.16 0.00 1.43 0.43 -0.13 118.68 121.97 3dbx s LEU 34 Ca 0.04 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3dbx s LEU 34 Cb -0.13 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.28 3dbx s LEU 34 CO 0.02 0.19 -0.14 -0.22 0.23 0.00 0.00 176.35 176.43 3dbx s LEU 35 N -0.45 2.55 0.00 1.79 2.96 -0.48 -1.18 118.68 123.86 3dbx s LEU 35 Ca 0.06 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3dbx s LEU 35 Cb -0.06 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3dbx s LEU 35 CO -0.00 0.09 0.00 0.00 -1.32 0.00 0.00 176.35 175.12 3dbx n ALA 36 N 4.03 0.00 -0.67 5.97 0.00 -0.84 -1.10 120.51 127.89 3dbx n ALA 36 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.33 3dbx n ALA 36 Cb 0.52 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.26 3dbx n ALA 36 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dbx n ASP 37 N 4.64 4.26 -4.58 0.00 5.75 -1.26 -4.94 116.55 120.41 3dbx n ASP 37 Ca 0.00 -2.58 -0.39 0.00 -0.01 0.00 0.00 54.79 51.81 3dbx n ASP 37 Cb 0.00 -0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 39.48 3dbx n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3dbx s VAL 38 N -2.06 5.19 0.05 2.12 1.01 -0.26 -5.03 120.40 121.41 3dbx s VAL 38 Ca 0.43 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3dbx s VAL 38 Cb 0.30 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 3dbx s VAL 38 CO 0.17 0.08 1.72 -2.84 0.00 0.00 0.00 175.10 174.24 3dbx s PRO 39 N 2.02 4.18 -0.26 2.72 0.02 -1.26 -1.39 135.00 141.03 3dbx s PRO 39 Ca 0.13 2.38 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 3dbx s PRO 39 Cb -0.16 -3.75 -0.17 0.00 0.02 0.00 0.00 34.50 30.44 3dbx s PRO 39 CO 0.11 -0.80 -0.22 -0.89 -0.33 0.00 0.00 177.00 174.86 3dbx n ILE 40 N 4.99 1.51 -3.83 2.83 2.08 0.82 -4.63 119.36 123.12 3dbx n ILE 40 Ca 0.17 -0.55 -0.12 0.00 0.56 0.00 0.00 62.75 62.81 3dbx n ILE 40 Cb 0.41 -1.50 -0.11 0.00 -0.75 0.00 0.00 39.64 37.68 3dbx n ILE 40 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3dbx s MET 41 N -2.52 0.30 -0.03 0.38 -1.94 -1.16 -1.52 119.30 112.81 3dbx s MET 41 Ca -0.35 0.04 0.02 0.00 -1.71 0.00 0.00 55.69 53.69 3dbx s MET 41 Cb 0.10 0.13 0.00 0.00 2.01 0.00 0.00 34.83 37.08 3dbx s MET 41 CO 0.59 -0.06 -0.09 0.08 -0.01 0.00 0.00 175.02 175.54 3dbx s VAL 42 N -0.39 0.76 0.08 -6.03 1.01 0.11 -0.99 120.40 114.97 3dbx s VAL 42 Ca -0.05 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3dbx s VAL 42 Cb -0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 3dbx s VAL 42 CO 0.01 0.24 1.16 -0.22 0.00 0.00 0.00 175.10 176.29 3dbx s LEU 43 N 0.22 4.39 -0.23 3.92 2.96 0.69 -0.46 118.68 130.18 3dbx s LEU 43 Ca -0.03 2.00 -0.27 0.00 -0.22 0.00 0.00 54.13 55.61 3dbx s LEU 43 Cb -0.09 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3dbx s LEU 43 CO 0.00 -0.40 0.92 -0.62 -1.32 0.00 0.00 176.35 174.93 3dbx s ASP 44 N 0.82 6.96 0.55 3.68 2.15 -0.06 -4.47 116.67 126.30 3dbx s ASP 44 Ca 0.56 1.20 0.23 0.00 0.43 0.00 0.00 52.55 54.97 3dbx s ASP 44 Cb -0.29 -2.48 1.53 0.00 -0.30 0.00 0.00 42.92 41.38 3dbx s ASP 44 CO 0.30 -0.57 2.19 -0.65 -0.17 0.00 0.00 175.17 176.28 3dbx h PRO 45 N 7.54 0.00 0.07 4.34 0.11 -1.90 0.25 132.00 142.41 3dbx h PRO 45 Ca -0.22 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.60 3dbx h PRO 45 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3dbx h PRO 45 CO 0.91 0.01 -1.54 0.45 -0.21 0.00 0.00 178.00 177.63 3dbx h HIS 46 N 0.00 0.29 0.00 0.65 3.86 -1.91 -3.40 115.15 114.63 3dbx h HIS 46 Ca -0.00 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3dbx h HIS 46 Cb 0.02 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3dbx h HIS 46 CO 0.00 1.27 -1.27 0.25 0.86 0.00 0.00 177.93 179.04 3dbx n THR 47 N -3.35 0.00 -1.43 2.45 -2.24 -1.11 -5.01 114.28 103.59 3dbx n THR 47 Ca -0.16 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 3dbx n THR 47 Cb 1.03 0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 3dbx n THR 47 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3dbx n TRP 48 N -1.72 0.00 -2.95 4.78 8.01 0.85 -5.01 117.44 121.40 3dbx n TRP 48 Ca -0.01 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.89 3dbx n TRP 48 Cb 0.20 -2.92 -0.03 0.00 -2.01 0.00 0.00 31.31 26.55 3dbx n TRP 48 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.69 175.88 3dbx s ASN 49 N -2.61 6.45 -0.52 -0.99 0.01 -1.26 -4.80 114.94 111.23 3dbx s ASN 49 Ca 0.00 0.97 -0.24 0.00 -0.71 0.00 0.00 52.86 52.88 3dbx s ASN 49 Cb 0.00 -2.26 0.04 0.00 0.41 0.00 0.00 41.25 39.44 3dbx s ASN 49 CO 0.00 -0.38 0.91 -0.76 -1.51 0.00 0.00 177.10 175.36 3dbx s LEU 50 N -3.95 4.14 0.19 0.60 1.43 -1.26 -0.88 118.68 118.94 3dbx s LEU 50 Ca 0.48 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 3dbx s LEU 50 Cb -0.10 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.14 3dbx s LEU 50 CO 0.34 -1.14 1.29 0.20 0.23 0.00 0.00 176.35 177.27 3dbx s ASN 51 N 2.64 6.93 -0.15 2.29 -0.87 0.39 -4.87 114.94 121.30 3dbx s ASN 51 Ca 0.31 2.35 -0.18 0.00 -1.57 0.00 0.00 52.86 53.78 3dbx s ASN 51 Cb -0.12 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.46 3dbx s ASN 51 CO 0.21 -0.51 0.47 -0.63 -2.57 0.00 0.00 177.10 174.06 3dbx s ILE 52 N 0.19 5.18 -0.37 0.60 1.01 -1.26 -0.71 121.20 125.83 3dbx s ILE 52 Ca 0.57 0.90 0.23 0.00 0.00 0.00 0.00 60.65 62.34 3dbx s ILE 52 Cb -0.36 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 3dbx s ILE 52 CO 0.37 0.28 0.98 0.00 0.00 0.00 0.00 174.94 176.57 3dbx s ARG 54 N -3.31 1.18 0.53 0.00 1.81 -1.26 -5.04 118.95 112.86 3dbx s ARG 54 Ca 0.00 -0.69 0.29 0.00 -1.72 0.00 0.00 55.73 53.61 3dbx s ARG 54 Cb 0.12 -1.18 1.50 0.00 -0.45 0.00 0.00 34.95 34.94 3dbx s ARG 54 CO 0.81 0.31 2.08 -1.35 -0.68 0.00 0.00 175.30 176.47 3dbx h PRO 55 N 5.33 0.00 -0.00 3.54 0.11 -1.99 -2.04 132.00 136.95 3dbx h PRO 55 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3dbx h PRO 55 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dbx h PRO 55 CO 0.46 0.10 -0.11 -2.67 -0.21 0.00 0.00 178.00 175.58 3dbx n TRP 56 N -3.54 0.00 0.08 0.65 4.27 -1.26 -4.27 117.44 113.37 3dbx n TRP 56 Ca -0.02 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.59 3dbx n TRP 56 Cb 0.24 -0.33 -0.05 0.00 -1.36 0.00 0.00 31.31 29.81 3dbx n TRP 56 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3dbx h VAL 57 N 0.16 0.86 0.12 -1.67 2.07 -1.73 -3.45 116.25 112.61 3dbx h VAL 57 Ca 0.00 -2.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.16 3dbx h VAL 57 Cb 0.42 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3dbx h VAL 57 CO 0.00 0.49 -0.06 -0.61 0.02 0.00 0.00 177.57 177.42 3dbx h GLN 58 N 0.00 -0.15 -1.35 1.57 -0.00 -1.74 -3.33 115.11 110.10 3dbx h GLN 58 Ca -0.08 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.53 3dbx h GLN 58 Cb 1.56 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 29.05 3dbx h GLN 58 CO 0.07 -0.10 0.06 0.39 0.00 0.00 0.00 178.83 179.25 3dbx n GLU 59 N -2.74 1.11 0.01 1.69 -0.58 -1.26 -3.82 120.64 115.05 3dbx n GLU 59 Ca -0.02 -0.25 -0.02 0.00 -0.42 0.00 0.00 57.16 56.45 3dbx n GLU 59 Cb 0.06 -1.10 -0.01 0.00 -0.57 0.00 0.00 31.44 29.83 3dbx n GLU 59 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3dbx n ILE 60 N 0.73 1.16 -3.62 -3.67 -0.00 -1.25 -4.89 119.36 107.82 3dbx n ILE 60 Ca 0.05 0.29 -0.28 0.00 -0.00 0.00 0.00 62.75 62.81 3dbx n ILE 60 Cb 0.56 -1.73 -0.16 0.00 -0.00 0.00 0.00 39.64 38.32 3dbx n ILE 60 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 3dbx s THR 61 N -2.18 0.14 0.00 1.39 2.01 -1.25 -1.90 115.64 113.85 3dbx s THR 61 Ca -0.06 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3dbx s THR 61 Cb 0.01 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.57 3dbx s THR 61 CO 0.09 -0.50 0.00 0.00 -0.69 0.00 0.00 174.62 173.52 3dbx n ALA 62 N 5.17 0.00 -0.13 7.40 0.00 -1.26 -4.63 120.51 127.06 3dbx n ALA 62 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 3dbx n ALA 62 Cb 0.45 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.02 3dbx n ALA 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dbx h GLU 63 N 0.00 0.86 -0.01 0.00 4.81 -1.73 -2.33 114.58 116.18 3dbx h GLU 63 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3dbx h GLU 63 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3dbx h GLU 63 CO 0.00 0.88 -0.28 2.41 -0.73 0.00 0.00 179.01 181.29 3dbx n THR 64 N -4.19 0.00 -4.19 0.32 -1.04 -1.26 -4.97 114.28 98.95 3dbx n THR 64 Ca 0.02 -0.16 -0.34 0.00 -2.04 0.00 0.00 64.05 61.54 3dbx n THR 64 Cb 0.33 0.55 -0.03 0.00 -1.82 0.00 0.00 70.33 69.36 3dbx n THR 64 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3dbx n GLU 65 N -0.50 -2.94 0.00 -2.82 0.00 -0.88 -4.85 120.64 108.65 3dbx n GLU 65 Ca 0.12 0.35 0.05 0.00 0.00 0.00 0.00 57.16 57.68 3dbx n GLU 65 Cb 0.37 -4.87 0.43 0.00 0.00 0.00 0.00 31.44 27.37 3dbx n GLU 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3dbx h VAL 66 N -1.56 1.09 0.00 3.84 2.07 -1.85 -1.42 116.25 118.42 3dbx h VAL 66 Ca -0.60 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3dbx h VAL 66 Cb 1.38 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3dbx h VAL 66 CO 0.75 0.10 -0.37 0.50 0.02 0.00 0.00 177.57 178.57 3dbx h LYS 67 N 0.53 0.00 0.08 1.57 3.64 -1.89 -1.35 116.57 119.16 3dbx h LYS 67 Ca 0.15 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.25 3dbx h LYS 67 Cb -0.03 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3dbx h LYS 67 CO -0.03 0.37 -1.18 0.87 -2.27 0.00 0.00 179.45 177.20 3dbx h LYS 68 N 0.00 0.64 -0.54 1.90 1.57 -1.69 -3.19 116.57 115.25 3dbx h LYS 68 Ca -0.00 -0.80 0.05 0.00 -1.87 0.00 0.00 60.65 58.02 3dbx h LYS 68 Cb 0.68 0.25 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 3dbx h LYS 68 CO 0.05 1.36 0.28 0.82 -0.57 0.00 0.00 179.45 181.39 3dbx h ILE 69 N 0.31 0.96 0.00 1.86 2.04 -0.98 -0.69 117.51 121.01 3dbx h ILE 69 Ca -0.17 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3dbx h ILE 69 Cb 1.85 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3dbx h ILE 69 CO 0.23 0.10 -0.32 -0.07 0.00 0.00 0.00 178.15 178.09 3dbx h LEU 70 N 0.54 0.00 0.00 1.44 3.38 -1.36 -3.29 115.31 116.03 3dbx h LEU 70 Ca 0.24 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.01 3dbx h LEU 70 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3dbx h LEU 70 CO -0.16 0.32 -1.55 -1.20 0.09 0.00 0.00 178.44 175.94 3dbx n SER 71 N -3.37 1.42 -0.00 -0.43 7.64 -1.14 -0.58 113.62 117.16 3dbx n SER 71 Ca 0.01 0.24 0.07 0.00 1.01 0.00 0.00 58.87 60.20 3dbx n SER 71 Cb 0.53 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 3dbx n SER 71 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3dbx n PHE 72 N -3.93 0.00 -2.14 1.43 3.72 -0.28 -3.18 117.46 113.08 3dbx n PHE 72 Ca -0.27 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.86 3dbx n PHE 72 Cb 0.61 -0.05 0.14 0.00 -0.94 0.00 0.00 39.48 39.25 3dbx n PHE 72 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3dbx s SER 73 N -2.61 3.74 0.40 4.37 1.04 -1.16 -4.84 113.70 114.64 3dbx s SER 73 Ca 0.04 0.15 0.21 0.00 0.48 0.00 0.00 55.95 56.83 3dbx s SER 73 Cb 0.11 -0.39 1.19 0.00 0.10 0.00 0.00 66.02 67.03 3dbx s SER 73 CO 0.62 -2.31 1.71 -0.03 0.98 0.00 0.00 173.24 174.21 3dbx h MET 74 N -1.18 0.29 -0.38 4.02 4.05 -1.94 0.13 114.93 119.92 3dbx h MET 74 Ca -0.42 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3dbx h MET 74 Cb 1.26 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 3dbx h MET 74 CO 0.43 0.19 0.00 1.33 0.23 0.00 0.00 176.91 179.09 3dbx n VAL 75 N -4.74 1.30 -1.44 -5.77 0.24 -1.26 -4.74 118.33 101.92 3dbx n VAL 75 Ca 0.30 -1.18 -0.29 0.00 -2.04 0.00 0.00 64.34 61.13 3dbx n VAL 75 Cb 1.05 0.33 0.15 0.00 -1.47 0.00 0.00 33.84 33.91 3dbx n VAL 75 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dbx s GLY 76 N -1.17 1.58 0.18 7.63 0.00 0.46 -4.70 107.32 111.30 3dbx s GLY 76 Ca 0.30 -0.55 -0.11 0.00 0.00 0.00 0.00 44.72 44.37 3dbx s GLY 76 CO 0.16 0.05 1.71 1.19 0.00 0.00 0.00 173.10 176.21 3dbx h ILE 77 N -1.67 1.25 -0.79 0.90 6.09 -0.82 0.51 117.51 122.98 3dbx h ILE 77 Ca -0.51 -0.86 0.05 0.00 -1.37 0.00 0.00 64.86 62.17 3dbx h ILE 77 Cb 1.33 0.61 -0.05 0.00 0.47 0.00 0.00 36.82 39.17 3dbx h ILE 77 CO 0.58 0.33 0.49 0.03 -3.07 0.00 0.00 178.15 176.51 3dbx h ARG 78 N 0.91 0.90 -0.11 2.19 3.08 -1.83 0.21 114.38 119.74 3dbx h ARG 78 Ca 0.20 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 3dbx h ARG 78 Cb 0.30 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.15 3dbx h ARG 78 CO -0.01 0.60 -0.49 -0.91 -1.07 0.00 0.00 179.97 178.09 3dbx h ASN 79 N 0.93 0.63 -0.48 7.04 2.35 -1.74 -3.20 115.58 121.11 3dbx h ASN 79 Ca 0.33 -0.63 0.07 0.00 -0.55 0.00 0.00 56.30 55.52 3dbx h ASN 79 Cb 0.10 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.22 3dbx h ASN 79 CO -0.14 1.16 0.15 0.74 -1.65 0.00 0.00 177.43 177.68 3dbx h THR 80 N 0.14 0.81 -0.25 2.81 2.02 -0.35 0.29 112.91 118.39 3dbx h THR 80 Ca -0.03 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.10 3dbx h THR 80 Cb 1.13 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 3dbx h THR 80 CO 0.10 0.06 -0.10 0.40 0.37 0.00 0.00 175.52 176.35 3dbx h ILE 81 N 0.31 0.67 -0.41 3.11 2.04 -0.71 0.11 117.51 122.63 3dbx h ILE 81 Ca 0.23 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.99 3dbx h ILE 81 Cb 0.26 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3dbx h ILE 81 CO -0.25 0.00 -0.13 -0.09 0.00 0.00 0.00 178.15 177.67 3dbx h ARG 82 N -0.05 0.75 -0.67 2.37 2.43 -1.44 -1.22 114.38 116.55 3dbx h ARG 82 Ca 0.13 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3dbx h ARG 82 Cb 0.25 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3dbx h ARG 82 CO -0.29 0.85 0.37 0.35 -1.51 0.00 0.00 179.97 179.74 3dbx h PHE 83 N 0.68 0.90 -0.09 2.20 3.57 0.00 -1.32 116.94 122.88 3dbx h PHE 83 Ca 0.11 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 3dbx h PHE 83 Cb 0.61 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.07 3dbx h PHE 83 CO 0.03 0.63 -0.51 0.52 -2.23 0.00 0.00 178.31 176.74 3dbx h MET 84 N 0.93 0.51 -0.83 1.11 2.86 -0.35 -2.27 114.93 116.90 3dbx h MET 84 Ca 0.24 -0.43 0.10 0.00 -2.06 0.00 0.00 59.70 57.56 3dbx h MET 84 Cb 0.02 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 3dbx h MET 84 CO -0.04 1.06 0.54 0.45 1.06 0.00 0.00 176.91 179.98 3dbx h HIS 85 N 0.10 0.81 -0.35 -0.22 3.86 -1.18 -2.46 115.15 115.72 3dbx h HIS 85 Ca -0.04 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.02 3dbx h HIS 85 Cb 1.16 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 3dbx h HIS 85 CO 0.12 0.37 -0.44 0.93 0.86 0.00 0.00 177.93 179.76 3dbx h GLU 86 N 0.75 0.92 -0.09 2.45 4.39 -1.14 -2.47 114.58 119.38 3dbx h GLU 86 Ca 0.39 -0.52 -0.17 0.00 0.34 0.00 0.00 59.36 59.40 3dbx h GLU 86 Cb 0.49 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3dbx h GLU 86 CO -0.16 1.17 -0.69 0.52 -1.16 0.00 0.00 179.01 178.69 3dbx h MET 87 N 0.73 0.39 -0.32 2.33 2.86 -1.22 0.28 114.93 119.99 3dbx h MET 87 Ca 0.04 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3dbx h MET 87 Cb 1.04 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 3dbx h MET 87 CO 0.11 0.93 0.19 1.15 1.06 0.00 0.00 176.91 180.35 3dbx h THR 88 N 0.27 1.05 -0.04 2.22 2.02 -1.48 -2.11 112.91 114.84 3dbx h THR 88 Ca -0.02 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3dbx h THR 88 Cb 1.25 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3dbx h THR 88 CO 0.12 0.07 0.02 0.00 0.37 0.00 0.00 175.52 176.10 3dbx h ALA 89 N 1.13 0.05 0.00 6.16 0.00 -1.20 -1.22 119.26 124.18 3dbx h ALA 89 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dbx h ALA 89 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dbx h ALA 89 CO -0.05 -0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.20 3dbx n LYS 90 N -4.97 0.86 0.00 0.00 2.85 0.97 -1.93 118.16 115.93 3dbx n LYS 90 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 3dbx n LYS 90 Cb 0.11 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 3dbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dbx n ALA 91 N -0.67 2.33 -1.14 0.58 0.00 -0.80 -5.00 120.51 115.81 3dbx n ALA 91 Ca 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 3dbx n ALA 91 Cb 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3dbx n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dbx n GLY 92 N 0.47 0.74 3.87 0.00 0.00 -0.81 -4.94 105.19 104.52 3dbx n GLY 92 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3dbx n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dbx s LEU 93 N -1.11 3.48 0.03 0.99 1.43 -0.50 -5.03 118.68 117.97 3dbx s LEU 93 Ca 0.00 1.33 0.04 0.00 -1.03 0.00 0.00 54.13 54.47 3dbx s LEU 93 Cb 0.00 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 3dbx s LEU 93 CO 0.00 -0.68 -0.04 1.51 0.23 0.00 0.00 176.35 177.37 3dbx s ASP 94 N -3.75 4.83 0.66 2.29 1.47 -1.26 -4.64 116.67 116.27 3dbx s ASP 94 Ca 0.54 -0.14 -0.15 0.00 1.18 0.00 0.00 52.55 53.98 3dbx s ASP 94 Cb -0.10 -1.15 0.00 0.00 -0.34 0.00 0.00 42.92 41.32 3dbx s ASP 94 CO 0.44 0.25 1.13 -0.31 0.68 0.00 0.00 175.17 177.35 3dbx s TYR 95 N -1.12 2.50 0.54 2.11 2.02 -1.26 -4.49 117.35 117.66 3dbx s TYR 95 Ca 0.20 1.56 -0.18 0.00 -0.37 0.00 0.00 57.07 58.28 3dbx s TYR 95 Cb -0.11 -3.25 -0.06 0.00 -0.40 0.00 0.00 41.96 38.14 3dbx s TYR 95 CO 0.11 -1.88 1.07 -2.14 -1.57 0.00 0.00 175.55 171.15 3dbx s PRO 96 N -3.97 3.48 -0.03 -1.71 0.02 -1.24 -5.02 135.00 126.53 3dbx s PRO 96 Ca 0.69 1.37 0.03 0.00 0.02 0.00 0.00 61.00 63.11 3dbx s PRO 96 Cb -0.23 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.25 3dbx s PRO 96 CO 0.41 -0.70 -0.11 1.03 -0.33 0.00 0.00 177.00 177.30 3dbx s ARG 97 N -3.56 1.11 -0.21 5.54 1.81 -0.78 -5.01 118.95 117.85 3dbx s ARG 97 Ca 0.67 -0.39 -0.03 0.00 -1.72 0.00 0.00 55.73 54.26 3dbx s ARG 97 Cb -0.18 -1.03 -0.01 0.00 -0.45 0.00 0.00 34.95 33.28 3dbx s ARG 97 CO 0.28 0.17 -0.06 0.08 -0.68 0.00 0.00 175.30 175.09 3dbx s VAL 98 N 0.07 3.26 0.07 3.52 1.01 -1.26 -0.36 120.40 126.70 3dbx s VAL 98 Ca -0.02 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3dbx s VAL 98 Cb -0.08 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3dbx s VAL 98 CO 0.01 0.44 0.03 -0.36 0.00 0.00 0.00 175.10 175.21 3dbx s PHE 99 N 1.42 3.07 0.01 5.22 0.08 0.28 -1.62 117.98 126.44 3dbx s PHE 99 Ca 0.05 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.14 3dbx s PHE 99 Cb -0.14 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 3dbx s PHE 99 CO -0.04 0.49 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.88 3dbx s GLN 100 N -2.17 0.33 -0.04 0.44 -0.21 -0.50 -0.48 119.66 117.02 3dbx s GLN 100 Ca 0.26 -0.31 0.04 0.00 0.02 0.00 0.00 55.36 55.37 3dbx s GLN 100 Cb -0.12 -0.22 0.00 0.00 1.00 0.00 0.00 33.01 33.67 3dbx s GLN 100 CO 0.18 0.05 -0.15 0.42 -2.12 0.00 0.00 175.29 173.67 3dbx s ILE 101 N -0.51 1.27 -0.12 1.08 1.01 0.52 -0.76 121.20 123.69 3dbx s ILE 101 Ca -0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 3dbx s ILE 101 Cb -0.04 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.35 3dbx s ILE 101 CO -0.00 0.37 -0.08 -2.28 0.00 0.00 0.00 174.94 172.95 3dbx s HIS 102 N 0.16 1.53 0.12 3.97 2.46 0.08 -0.93 115.29 122.68 3dbx s HIS 102 Ca -0.05 -0.79 0.10 0.00 0.47 0.00 0.00 55.06 54.79 3dbx s HIS 102 Cb -0.12 -1.26 -0.04 0.00 -0.13 0.00 0.00 32.58 31.04 3dbx s HIS 102 CO 0.02 -0.53 -0.24 0.99 -2.47 0.00 0.00 174.74 172.51 3dbx s THR 103 N 1.69 2.03 0.04 0.89 2.01 -0.39 -0.47 115.64 121.45 3dbx s THR 103 Ca 0.05 -1.67 -0.15 0.00 0.31 0.00 0.00 61.69 60.22 3dbx s THR 103 Cb -0.13 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.59 3dbx s THR 103 CO -0.08 0.02 0.33 -0.83 -0.69 0.00 0.00 174.62 173.37 3dbx s GLY 104 N -2.00 -0.16 -0.13 4.40 0.00 -0.90 -1.04 107.32 107.49 3dbx s GLY 104 Ca 0.11 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 3dbx s GLY 104 CO 0.05 -0.14 0.17 0.00 0.00 0.00 0.00 173.10 173.18 3dbx s LYS 106 N 2.28 3.00 -0.33 0.00 2.20 0.15 -0.36 119.74 126.68 3dbx s LYS 106 Ca 0.04 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 3dbx s LYS 106 Cb -0.14 -2.65 0.04 0.00 -1.51 0.00 0.00 37.83 33.58 3dbx s LYS 106 CO -0.08 0.53 0.09 -0.51 -0.36 0.00 0.00 175.35 175.01 3dbx s LEU 107 N -0.44 4.25 0.33 5.43 1.43 -0.21 -2.09 118.68 127.38 3dbx s LEU 107 Ca 0.06 -1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 51.74 3dbx s LEU 107 Cb -0.12 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 44.16 3dbx s LEU 107 CO 0.02 -0.32 0.96 -0.31 0.23 0.00 0.00 176.35 176.93 3dbx s TYR 108 N 1.38 3.65 -0.25 0.29 2.02 -1.06 -4.80 117.35 118.58 3dbx s TYR 108 Ca -0.02 1.77 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 3dbx s TYR 108 Cb -0.20 -2.94 0.04 0.00 -0.40 0.00 0.00 41.96 38.46 3dbx s TYR 108 CO 0.02 0.12 0.93 0.25 -1.57 0.00 0.00 175.55 175.31 3dbx n THR 109 N 0.49 0.89 0.06 -0.71 -2.24 -1.26 -2.53 114.28 108.98 3dbx n THR 109 Ca 0.02 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 3dbx n THR 109 Cb 0.50 -0.86 0.02 0.00 -2.10 0.00 0.00 70.33 67.89 3dbx n THR 109 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dbx n ASN 110 N 0.32 1.55 0.00 3.42 6.94 -1.26 -5.04 115.26 121.20 3dbx n ASN 110 Ca 0.03 -1.41 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 3dbx n ASN 110 Cb 0.50 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 3dbx n ASN 110 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dbx n GLY 111 N 0.01 3.25 3.72 4.83 0.00 -1.05 -5.09 105.19 110.86 3dbx n GLY 111 Ca 0.02 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 3dbx n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dbx s THR 112 N -0.07 2.02 0.05 2.61 -4.23 -1.26 -4.83 115.64 109.93 3dbx s THR 112 Ca 0.00 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 3dbx s THR 112 Cb 0.00 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 3dbx s THR 112 CO 0.00 -0.00 -0.23 -0.13 -0.54 0.00 0.00 174.62 173.72 3dbx s ARG 113 N -3.62 1.49 -0.21 3.99 0.52 -1.26 -2.55 118.95 117.31 3dbx s ARG 113 Ca 0.80 -1.03 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3dbx s ARG 113 Cb -0.35 -1.66 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 3dbx s ARG 113 CO 0.43 0.42 -0.03 -0.46 0.02 0.00 0.00 175.30 175.68 3dbx s TRP 114 N -0.84 2.97 0.02 -0.53 -0.00 -0.89 -4.98 118.94 114.69 3dbx s TRP 114 Ca 0.09 -0.73 0.04 0.00 -0.00 0.00 0.00 56.10 55.50 3dbx s TRP 114 Cb -0.09 -2.08 -0.02 0.00 -0.00 0.00 0.00 33.47 31.28 3dbx s TRP 114 CO 0.02 -0.41 -0.12 -1.12 -0.00 0.00 0.00 176.95 175.32 3dbx s SER 115 N 1.22 1.41 0.01 5.86 0.01 -1.26 -0.67 113.70 120.29 3dbx s SER 115 Ca 0.03 -0.36 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 3dbx s SER 115 Cb -0.14 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.01 3dbx s SER 115 CO -0.01 0.05 0.39 0.72 0.41 0.00 0.00 173.24 174.81 3dbx s PHE 116 N -0.65 -0.26 -0.09 2.43 -0.71 -0.84 -4.91 117.98 112.95 3dbx s PHE 116 Ca 0.02 0.31 -0.01 0.00 -1.04 0.00 0.00 56.93 56.20 3dbx s PHE 116 Cb -0.06 0.18 0.03 0.00 -1.21 0.00 0.00 43.02 41.96 3dbx s PHE 116 CO 0.00 -0.51 -0.02 0.08 -1.34 0.00 0.00 175.22 173.44 3dbx s VAL 117 N -1.96 0.54 -0.09 -2.49 1.01 -1.26 -2.11 120.40 114.04 3dbx s VAL 117 Ca -0.09 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3dbx s VAL 117 Cb -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 3dbx s VAL 117 CO 0.01 0.27 -0.24 0.20 0.00 0.00 0.00 175.10 175.34 3dbx s ASN 118 N 1.90 3.15 -0.11 3.32 0.01 0.38 -1.25 114.94 122.34 3dbx s ASN 118 Ca 0.05 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 3dbx s ASN 118 Cb -0.12 -1.24 -0.02 0.00 0.41 0.00 0.00 41.25 40.28 3dbx s ASN 118 CO -0.06 0.19 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.97 3dbx s ILE 119 N 0.17 3.22 0.24 0.60 1.01 -0.45 -0.74 121.20 125.26 3dbx s ILE 119 Ca -0.13 -0.62 0.11 0.00 0.00 0.00 0.00 60.65 60.01 3dbx s ILE 119 Cb -0.16 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 3dbx s ILE 119 CO 0.07 0.54 -0.17 -0.83 0.00 0.00 0.00 174.94 174.55 3dbx s GLY 120 N -0.00 1.79 -0.01 6.18 0.00 0.06 -0.74 107.32 114.59 3dbx s GLY 120 Ca -0.03 -1.74 0.02 0.00 0.00 0.00 0.00 44.72 42.97 3dbx s GLY 120 CO 0.04 -1.80 -0.06 1.85 0.00 0.00 0.00 173.10 173.13 3dbx s GLU 121 N -3.23 0.55 -1.28 2.90 -6.30 -0.65 -1.41 118.70 109.28 3dbx s GLU 121 Ca 0.27 -0.21 0.00 0.00 -2.50 0.00 0.00 54.97 52.53 3dbx s GLU 121 Cb -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 34.13 33.52 3dbx s GLU 121 CO 0.14 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.94 3dbx n GLY 122 N 3.07 -0.32 2.04 -1.50 0.00 -0.64 -2.39 105.19 105.45 3dbx n GLY 122 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 3dbx n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dbx n GLY 123 N -0.80 0.47 3.24 -0.02 0.00 -1.26 -5.03 105.19 101.78 3dbx n GLY 123 Ca -0.17 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 3dbx n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dbx s ARG 124 N -1.66 1.03 0.55 1.61 0.52 -1.01 -5.13 118.95 114.86 3dbx s ARG 124 Ca 0.00 -1.39 -0.21 0.00 -0.52 0.00 0.00 55.73 53.62 3dbx s ARG 124 Cb 0.00 -0.64 -0.05 0.00 0.52 0.00 0.00 34.95 34.78 3dbx s ARG 124 CO 0.00 0.09 1.20 -0.25 0.02 0.00 0.00 175.30 176.36 3dbx n ASP 125 N -0.01 1.94 0.06 0.23 8.00 -1.26 -1.64 116.55 123.87 3dbx n ASP 125 Ca -0.12 0.93 0.00 0.00 0.71 0.00 0.00 54.79 56.31 3dbx n ASP 125 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 3dbx n ASP 125 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3dbx n LEU 126 N -0.82 0.49 -3.88 0.64 7.94 0.08 -4.47 117.00 116.98 3dbx n LEU 126 Ca 0.12 0.19 -0.11 0.00 -1.11 0.00 0.00 56.01 55.10 3dbx n LEU 126 Cb 0.45 -0.06 -0.10 0.00 0.53 0.00 0.00 43.42 44.24 3dbx n LEU 126 CO 0.52 -0.60 -0.17 0.68 -1.11 0.00 0.00 177.39 176.71 3dbx s VAL 127 N -2.00 0.09 0.11 1.96 -7.23 -0.94 -1.69 120.40 110.71 3dbx s VAL 127 Ca 0.00 -0.77 0.07 0.00 -1.81 0.00 0.00 61.98 59.47 3dbx s VAL 127 Cb 0.00 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 3dbx s VAL 127 CO 0.00 -0.43 -0.18 0.28 -0.31 0.00 0.00 175.10 174.46 3dbx s THR 128 N -1.70 1.56 -0.31 5.32 -1.32 0.13 -1.35 115.64 117.96 3dbx s THR 128 Ca -0.12 -1.58 -0.12 0.00 -1.21 0.00 0.00 61.69 58.66 3dbx s THR 128 Cb -0.06 -1.50 -0.03 0.00 -1.51 0.00 0.00 72.50 69.40 3dbx s THR 128 CO 0.00 -0.18 0.22 -0.47 -2.21 0.00 0.00 174.62 171.98 3dbx s TYR 129 N -1.45 3.23 -0.57 9.09 5.04 -0.38 1.00 117.35 133.30 3dbx s TYR 129 Ca 0.06 -0.06 -0.20 0.00 -2.44 0.00 0.00 57.07 54.43 3dbx s TYR 129 Cb -0.09 -2.44 0.08 0.00 0.35 0.00 0.00 41.96 39.87 3dbx s TYR 129 CO 0.04 -0.27 0.74 -2.00 -1.34 0.00 0.00 175.55 172.71 3dbx s GLU 130 N 1.74 3.10 0.08 4.97 2.12 0.17 -4.36 118.70 126.52 3dbx s GLU 130 Ca 0.07 -1.04 -0.24 0.00 0.36 0.00 0.00 54.97 54.12 3dbx s GLU 130 Cb -0.17 -4.20 -0.16 0.00 0.26 0.00 0.00 34.13 29.87 3dbx s GLU 130 CO 0.11 -1.49 1.69 1.25 -0.54 0.00 0.00 175.26 176.28 3dbx h LEU 131 N 10.18 -0.04 -0.77 2.70 6.46 -1.91 -2.06 115.31 129.88 3dbx h LEU 131 Ca -0.29 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 3dbx h LEU 131 Cb 1.09 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 3dbx h LEU 131 CO 1.07 0.02 0.30 0.28 -0.62 0.00 0.00 178.44 179.49 3dbx h SER 132 N -0.09 1.07 -0.04 1.25 0.02 -1.95 -2.55 113.55 111.26 3dbx h SER 132 Ca -0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3dbx h SER 132 Cb 0.08 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3dbx h SER 132 CO 0.01 0.95 0.00 0.54 -1.14 0.00 0.00 176.83 177.19 3dbx n ARG 133 N -4.30 1.34 -3.93 3.45 3.00 -1.18 -4.94 116.66 110.10 3dbx n ARG 133 Ca 0.07 -0.50 -0.27 0.00 -0.01 0.00 0.00 57.85 57.14 3dbx n ARG 133 Cb 0.19 -1.43 -0.01 0.00 0.00 0.00 0.00 32.46 31.21 3dbx n ARG 133 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3dbx n GLU 134 N -0.35 -3.87 -3.74 5.56 2.13 -0.82 -4.95 120.64 114.59 3dbx n GLU 134 Ca 0.19 0.47 -0.13 0.00 0.66 0.00 0.00 57.16 58.35 3dbx n GLU 134 Cb 0.22 -4.85 -0.10 0.00 0.27 0.00 0.00 31.44 26.97 3dbx n GLU 134 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3dbx s ARG 135 N -6.49 0.48 -0.13 5.31 3.52 -0.93 -5.00 118.95 115.71 3dbx s ARG 135 Ca 0.18 0.42 -0.16 0.00 -0.13 0.00 0.00 55.73 56.03 3dbx s ARG 135 Cb -0.09 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 3dbx s ARG 135 CO 0.87 -0.07 0.40 -1.58 -0.81 0.00 0.00 175.30 174.11 3dbx s TRP 136 N -0.03 3.51 -0.12 5.12 0.52 -1.26 0.42 118.94 127.09 3dbx s TRP 136 Ca -0.02 0.79 0.00 0.00 0.02 0.00 0.00 56.10 56.89 3dbx s TRP 136 Cb -0.03 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.82 3dbx s TRP 136 CO 0.01 0.22 -0.13 0.08 0.02 0.00 0.00 176.95 177.15 3dbx s VAL 137 N 0.46 3.03 0.28 4.03 1.01 0.28 -4.83 120.40 124.66 3dbx s VAL 137 Ca 0.22 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3dbx s VAL 137 Cb -0.14 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 3dbx s VAL 137 CO 0.08 0.53 1.33 -2.84 0.00 0.00 0.00 175.10 174.20 3dbx s PRO 138 N 0.24 4.36 -0.06 2.72 0.02 -1.26 0.17 135.00 141.18 3dbx s PRO 138 Ca -0.09 2.18 0.18 0.00 0.02 0.00 0.00 61.00 63.29 3dbx s PRO 138 Cb -0.15 -3.11 -0.27 0.00 0.02 0.00 0.00 34.50 30.99 3dbx s PRO 138 CO 0.05 -0.24 0.32 1.04 -0.33 0.00 0.00 177.00 177.84 3dbx n GLN 139 N 1.59 0.72 -4.60 5.54 1.13 -0.68 -4.86 117.38 116.22 3dbx n GLN 139 Ca 0.03 -0.13 -0.27 0.00 -1.94 0.00 0.00 57.00 54.69 3dbx n GLN 139 Cb 0.42 -1.44 -0.10 0.00 0.11 0.00 0.00 30.24 29.23 3dbx n GLN 139 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3dbx s ARG 140 N -3.06 1.93 -0.32 -1.09 1.70 -1.25 -4.89 118.95 111.97 3dbx s ARG 140 Ca -0.07 -2.13 0.09 0.00 -0.47 0.00 0.00 55.73 53.14 3dbx s ARG 140 Cb 0.10 -1.29 0.58 0.00 -0.57 0.00 0.00 34.95 33.77 3dbx s ARG 140 CO 0.75 -0.21 1.62 -1.13 -1.08 0.00 0.00 175.30 175.25 3dbx n SER 141 N -1.00 3.24 -3.90 -2.89 3.41 -1.26 -4.83 113.62 106.40 3dbx n SER 141 Ca -0.08 -3.58 -0.16 0.00 -0.26 0.00 0.00 58.87 54.79 3dbx n SER 141 Cb 0.67 -0.69 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3dbx n SER 141 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3dbx n THR 142 N -0.95 0.00 -0.03 6.66 5.66 -1.26 -5.01 114.28 119.36 3dbx n THR 142 Ca 0.40 -1.41 -0.11 0.00 -3.05 0.00 0.00 64.05 59.87 3dbx n THR 142 Cb 1.23 -0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.66 3dbx n THR 142 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3dbx h LEU 143 N 0.00 0.18 -1.19 1.09 5.85 -1.98 -1.95 115.31 117.31 3dbx h LEU 143 Ca -0.22 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3dbx h LEU 143 Cb 0.84 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3dbx h LEU 143 CO 0.34 0.34 0.56 0.25 -0.34 0.00 0.00 178.44 179.59 3dbx h LEU 144 N 0.01 0.88 -0.61 2.25 5.85 -1.93 0.26 115.31 122.02 3dbx h LEU 144 Ca 0.04 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 3dbx h LEU 144 Cb 0.23 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3dbx h LEU 144 CO -0.00 0.58 -0.11 0.00 -0.34 0.00 0.00 178.44 178.57 3dbx h ALA 145 N 1.52 0.81 -0.30 1.25 0.00 -1.83 -2.17 119.26 118.54 3dbx h ALA 145 Ca 0.36 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3dbx h ALA 145 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dbx h ALA 145 CO -0.12 0.66 -0.52 -0.22 0.00 0.00 0.00 179.25 179.05 3dbx h LYS 146 N 0.88 0.88 0.02 0.00 3.64 -0.35 -2.56 116.57 119.08 3dbx h LYS 146 Ca 0.14 -0.55 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3dbx h LYS 146 Cb 0.67 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3dbx h LYS 146 CO 0.05 1.19 -0.01 0.28 -2.27 0.00 0.00 179.45 178.68 3dbx h VAL 147 N 0.67 1.33 -0.80 2.00 2.07 -0.57 -2.40 116.25 118.55 3dbx h VAL 147 Ca 0.02 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3dbx h VAL 147 Cb 1.13 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 3dbx h VAL 147 CO 0.12 0.28 0.33 -0.03 0.02 0.00 0.00 177.57 178.29 3dbx h MET 148 N -0.50 1.18 -0.32 1.57 1.85 -1.49 -1.27 114.93 115.95 3dbx h MET 148 Ca -0.00 -0.21 -0.12 0.00 -0.61 0.00 0.00 59.70 58.77 3dbx h MET 148 Cb 0.48 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 3dbx h MET 148 CO 0.00 0.95 -0.28 1.03 -0.40 0.00 0.00 176.91 178.21 3dbx h SER 149 N 1.15 0.68 -0.02 1.39 0.87 -1.50 -1.96 113.55 114.16 3dbx h SER 149 Ca 0.27 -0.26 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 3dbx h SER 149 Cb 0.20 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3dbx h SER 149 CO -0.02 0.93 -0.65 0.78 -0.53 0.00 0.00 176.83 177.33 3dbx h ASN 150 N 0.57 0.60 -0.64 6.23 2.35 -1.25 -2.43 115.58 121.02 3dbx h ASN 150 Ca 0.07 -0.74 -0.01 0.00 -0.55 0.00 0.00 56.30 55.07 3dbx h ASN 150 Cb 0.77 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 3dbx h ASN 150 CO 0.06 1.26 0.36 0.74 -1.65 0.00 0.00 177.43 178.20 3dbx h THR 151 N 0.01 1.20 -0.30 2.81 2.02 -1.28 -0.59 112.91 116.77 3dbx h THR 151 Ca -0.08 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 3dbx h THR 151 Cb 1.35 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3dbx h THR 151 CO 0.13 0.21 -0.09 -0.07 0.37 0.00 0.00 175.52 176.08 3dbx h LEU 152 N 0.87 0.60 -0.62 2.58 3.38 -1.41 -2.26 115.31 118.46 3dbx h LEU 152 Ca 0.23 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3dbx h LEU 152 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3dbx h LEU 152 CO -0.04 0.84 -0.00 0.74 0.09 0.00 0.00 178.44 180.06 3dbx h THR 153 N 0.36 1.27 -0.36 0.22 2.02 -1.40 -2.73 112.91 112.29 3dbx h THR 153 Ca 0.08 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 3dbx h THR 153 Cb 0.58 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3dbx h THR 153 CO 0.03 0.42 0.08 0.44 0.37 0.00 0.00 175.52 176.87 3dbx h ASP 154 N 0.99 0.48 -0.54 4.18 3.32 -1.08 -3.35 116.42 120.41 3dbx h ASP 154 Ca 0.17 -0.07 -0.33 0.00 0.02 0.00 0.00 57.03 56.82 3dbx h ASP 154 Cb 0.57 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 3dbx h ASP 154 CO 0.03 0.49 1.02 -0.76 -1.72 0.00 0.00 179.24 178.30 3dbx s LEU 155 N -9.19 3.10 0.38 1.55 1.02 -0.86 -4.76 118.68 109.93 3dbx s LEU 155 Ca -0.08 -1.45 0.14 0.00 0.02 0.00 0.00 54.13 52.76 3dbx s LEU 155 Cb 0.16 -2.58 0.74 0.00 0.02 0.00 0.00 46.19 44.53 3dbx s LEU 155 CO 0.75 -2.94 1.83 0.03 0.02 0.00 0.00 176.35 176.04 3dbx h ARG 156 N 10.05 0.00 -0.51 1.70 2.47 -1.81 -2.20 114.38 124.08 3dbx h ARG 156 Ca 0.19 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.86 3dbx h ARG 156 Cb 0.95 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 3dbx h ARG 156 CO 1.23 0.37 0.08 0.00 0.56 0.00 0.00 179.97 182.21 3dbx h ALA 157 N 1.63 1.19 -0.41 0.04 0.00 -1.94 -1.50 119.26 118.27 3dbx h ALA 157 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3dbx h ALA 157 Cb 0.67 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dbx h ALA 157 CO 0.05 0.54 0.04 0.28 0.00 0.00 0.00 179.25 180.15 3dbx h VAL 158 N 0.76 1.25 -0.38 0.00 2.07 -1.74 0.87 116.25 119.08 3dbx h VAL 158 Ca 0.16 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3dbx h VAL 158 Cb 0.34 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3dbx h VAL 158 CO 0.01 0.32 0.22 -1.28 0.02 0.00 0.00 177.57 176.86 3dbx h SER 159 N 0.55 0.34 -0.58 0.57 0.87 -1.33 0.15 113.55 114.13 3dbx h SER 159 Ca 0.12 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3dbx h SER 159 Cb 0.43 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3dbx h SER 159 CO 0.01 0.25 0.33 1.23 -0.53 0.00 0.00 176.83 178.12 3dbx h GLY 160 N 0.44 0.85 1.04 5.77 0.00 -1.16 -2.33 103.07 107.68 3dbx h GLY 160 Ca 0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3dbx h GLY 160 CO -0.08 0.36 0.37 -2.75 0.00 0.00 0.00 176.54 174.44 3dbx h PHE 161 N 0.78 1.18 -0.50 5.60 3.57 -0.29 -2.64 116.94 124.63 3dbx h PHE 161 Ca 0.20 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 3dbx h PHE 161 Cb 0.03 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3dbx h PHE 161 CO -0.02 0.87 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.76 3dbx h LEU 162 N 1.15 0.91 0.00 0.59 3.38 -0.90 -2.08 115.31 118.36 3dbx h LEU 162 Ca 0.27 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dbx h LEU 162 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3dbx h LEU 162 CO -0.03 1.03 -0.23 -0.33 0.09 0.00 0.00 178.44 178.97 3dbx h GLU 163 N 0.82 -0.35 -0.80 1.13 5.08 -1.15 -1.79 114.58 117.52 3dbx h GLU 163 Ca 0.13 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3dbx h GLU 163 Cb 0.63 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 3dbx h GLU 163 CO 0.04 -0.23 0.47 1.25 -1.00 0.00 0.00 179.01 179.55 3dbx h HIS 164 N -0.36 0.87 -0.06 4.33 -0.00 -1.38 -0.32 115.15 118.24 3dbx h HIS 164 Ca 0.06 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 3dbx h HIS 164 Cb 0.44 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 3dbx h HIS 164 CO -0.27 0.41 -0.13 0.82 -0.00 0.00 0.00 177.93 178.76 3dbx h ILE 165 N 0.84 0.67 0.00 6.26 2.04 -0.97 0.38 117.51 126.73 3dbx h ILE 165 Ca 0.36 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.19 3dbx h ILE 165 Cb 0.24 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3dbx h ILE 165 CO -0.20 0.00 -0.27 -0.26 0.00 0.00 0.00 178.15 177.42 3dbx h PHE 166 N -0.18 0.00 0.00 1.37 0.04 -1.09 0.82 116.94 117.90 3dbx h PHE 166 Ca 0.06 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.57 3dbx h PHE 166 Cb 0.27 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 3dbx h PHE 166 CO -0.21 0.16 -1.73 0.43 -0.60 0.00 0.00 178.31 176.35 3dbx n SER 167 N -3.09 0.74 0.05 2.17 7.64 -0.15 -4.52 113.62 116.45 3dbx n SER 167 Ca 0.03 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.25 3dbx n SER 167 Cb 0.60 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 3dbx n SER 167 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3dbx n SER 168 N -2.95 0.42 0.13 6.43 2.88 0.09 -4.78 113.62 115.85 3dbx n SER 168 Ca -0.17 0.15 -0.13 0.00 -1.33 0.00 0.00 58.87 57.39 3dbx n SER 168 Cb 1.00 -0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 64.32 3dbx n SER 168 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3dbx h SER 169 N 0.00 -0.30 -0.28 -3.46 0.02 -1.10 -2.69 113.55 105.75 3dbx h SER 169 Ca 0.00 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 3dbx h SER 169 Cb 0.28 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3dbx h SER 169 CO 0.00 0.08 -0.19 -0.26 -1.14 0.00 0.00 176.83 175.33 3dbx h PHE 170 N -0.74 0.72 -0.38 3.45 0.04 -1.13 -2.71 116.94 116.19 3dbx h PHE 170 Ca -0.04 -0.19 0.07 0.00 2.80 0.00 0.00 57.97 60.60 3dbx h PHE 170 Cb 0.49 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 3dbx h PHE 170 CO 0.03 0.88 0.03 -1.35 -0.60 0.00 0.00 178.31 177.31 3dbx h PRO 171 N 0.35 0.14 -0.94 1.51 0.11 -1.79 -1.23 132.00 130.14 3dbx h PRO 171 Ca 0.06 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.23 3dbx h PRO 171 Cb 0.72 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 3dbx h PRO 171 CO 0.05 0.09 0.60 -0.91 -0.21 0.00 0.00 178.00 177.62 3dbx h ASN 172 N 0.14 0.93 -0.12 -2.05 4.21 -1.51 -2.70 115.58 114.48 3dbx h ASN 172 Ca 0.19 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 3dbx h ASN 172 Cb 0.25 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 3dbx h ASN 172 CO -0.28 0.57 0.04 0.22 -1.29 0.00 0.00 177.43 176.69 3dbx h TYR 173 N 1.05 0.19 -0.49 1.19 3.20 -1.14 -2.14 116.97 118.84 3dbx h TYR 173 Ca 0.42 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.35 3dbx h TYR 173 Cb 0.23 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3dbx h TYR 173 CO -0.02 0.30 0.15 0.82 -1.64 0.00 0.00 178.16 177.77 3dbx h ILE 174 N 0.02 0.79 -0.24 1.81 2.04 -1.20 -0.35 117.51 120.38 3dbx h ILE 174 Ca 0.04 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3dbx h ILE 174 Cb 0.20 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3dbx h ILE 174 CO -0.00 0.06 0.15 -0.07 0.00 0.00 0.00 178.15 178.28 3dbx h LEU 175 N 0.30 0.25 -0.76 1.44 4.07 -1.37 0.33 115.31 119.57 3dbx h LEU 175 Ca 0.24 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 3dbx h LEU 175 Cb 0.29 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 3dbx h LEU 175 CO -0.27 0.18 -0.07 0.24 -1.08 0.00 0.00 178.44 177.44 3dbx h MET 176 N 0.31 0.87 -0.31 1.13 2.86 -1.14 -2.58 114.93 116.06 3dbx h MET 176 Ca 0.09 -0.28 -0.17 0.00 -2.06 0.00 0.00 59.70 57.28 3dbx h MET 176 Cb -0.02 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3dbx h MET 176 CO -0.03 0.91 -0.48 -0.07 1.06 0.00 0.00 176.91 178.30 3dbx h LEU 177 N 0.79 0.92 -0.73 1.22 3.38 -0.60 -2.79 115.31 117.50 3dbx h LEU 177 Ca 0.14 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.66 3dbx h LEU 177 Cb 0.57 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3dbx h LEU 177 CO 0.03 1.24 0.47 -0.74 0.09 0.00 0.00 178.44 179.54 3dbx h HIS 178 N 0.67 0.89 0.00 1.13 2.76 -0.28 0.79 115.15 121.11 3dbx h HIS 178 Ca 0.03 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 3dbx h HIS 178 Cb 1.07 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 3dbx h HIS 178 CO 0.06 0.55 -0.31 1.49 -1.30 0.00 0.00 177.93 178.42 3dbx h GLU 179 N 0.95 0.00 0.00 5.26 4.81 -1.33 -3.29 114.58 120.98 3dbx h GLU 179 Ca 0.27 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 3dbx h GLU 179 Cb -0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3dbx h GLU 179 CO -0.07 0.31 -2.09 0.39 -0.73 0.00 0.00 179.01 176.81 3dbx n GLU 180 N -4.05 0.67 -0.68 1.92 -0.58 -1.04 -4.63 120.64 112.25 3dbx n GLU 180 Ca -0.02 -0.15 0.02 0.00 -0.42 0.00 0.00 57.16 56.59 3dbx n GLU 180 Cb 0.36 -1.52 0.26 0.00 -0.57 0.00 0.00 31.44 29.97 3dbx n GLU 180 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dbx n GLY 181 N 1.40 4.15 0.24 0.62 0.00 0.24 -4.66 105.19 107.18 3dbx n GLY 181 Ca -0.11 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.92 3dbx n GLY 181 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dbx h ARG 182 N 1.84 0.00 -0.86 1.61 3.08 -1.82 -0.72 114.38 117.52 3dbx h ARG 182 Ca 0.12 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.36 3dbx h ARG 182 Cb 1.73 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.71 3dbx h ARG 182 CO 0.40 0.16 0.57 0.00 -1.07 0.00 0.00 179.97 180.03 3dbx h THR 183 N 0.00 0.71 0.02 2.04 1.03 -1.95 0.54 112.91 115.29 3dbx h THR 183 Ca -0.00 -0.14 -0.40 0.00 -0.01 0.00 0.00 66.41 65.86 3dbx h THR 183 Cb 0.35 0.27 -0.06 0.00 -1.07 0.00 0.00 68.15 67.64 3dbx h THR 183 CO 0.02 0.07 -2.30 0.47 -0.01 0.00 0.00 175.52 173.77 3dbx n ASP 184 N -4.50 1.98 0.18 0.00 8.00 -0.96 -4.19 116.55 117.05 3dbx n ASP 184 Ca 0.18 0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.87 3dbx n ASP 184 Cb 0.66 -0.70 0.33 0.00 -0.02 0.00 0.00 41.12 41.39 3dbx n ASP 184 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dbx h LEU 185 N -0.51 0.00 -3.24 0.64 3.38 -0.95 -3.16 115.31 111.46 3dbx h LEU 185 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3dbx h LEU 185 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3dbx h LEU 185 CO -0.22 0.43 0.00 -0.62 0.09 0.00 0.00 178.44 178.12 3dbx n GLU 186 N -3.86 3.34 -2.20 1.13 1.02 0.19 -5.00 120.64 115.26 3dbx n GLU 186 Ca -0.01 -2.79 -0.39 0.00 -0.02 0.00 0.00 57.16 53.95 3dbx n GLU 186 Cb 0.48 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3dbx n GLU 186 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3dbx s ARG 187 N -2.44 4.10 -0.05 3.49 3.52 -1.20 -5.00 118.95 121.38 3dbx s ARG 187 Ca 0.42 1.99 -0.01 0.00 -0.13 0.00 0.00 55.73 58.01 3dbx s ARG 187 Cb 0.32 -2.79 0.03 0.00 -1.56 0.00 0.00 34.95 30.95 3dbx s ARG 187 CO 0.13 -0.32 0.02 1.03 -0.81 0.00 0.00 175.30 175.35 3dbx s ARG 188 N -2.15 0.26 -0.19 5.12 0.52 -1.26 -4.43 118.95 116.82 3dbx s ARG 188 Ca 0.55 0.19 -0.00 0.00 -0.52 0.00 0.00 55.73 55.95 3dbx s ARG 188 Cb -0.34 -0.65 0.05 0.00 0.52 0.00 0.00 34.95 34.53 3dbx s ARG 188 CO 0.44 -0.26 -0.04 0.08 0.02 0.00 0.00 175.30 175.54 3dbx s VAL 189 N 1.73 1.17 0.63 3.52 1.01 -0.16 -4.97 120.40 123.35 3dbx s VAL 189 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 3dbx s VAL 189 Cb -0.13 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3dbx s VAL 189 CO -0.03 0.03 1.16 -2.84 0.00 0.00 0.00 175.10 173.41 3dbx s PRO 190 N 1.59 2.82 0.68 2.72 0.02 -1.26 -0.93 135.00 140.64 3dbx s PRO 190 Ca -0.01 1.61 -0.11 0.00 0.02 0.00 0.00 61.00 62.50 3dbx s PRO 190 Cb -0.16 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3dbx s PRO 190 CO -0.07 -1.27 1.06 -1.25 -0.33 0.00 0.00 177.00 175.13 3dbx s PRO 191 N -3.71 2.97 0.16 5.54 0.04 -1.26 -4.43 135.00 134.30 3dbx s PRO 191 Ca 0.72 0.99 0.10 0.00 0.04 0.00 0.00 61.00 62.85 3dbx s PRO 191 Cb -0.25 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3dbx s PRO 191 CO 0.37 -1.08 -0.22 0.00 0.04 0.00 0.00 177.00 176.11 3dbx s MET 192 N -4.91 1.36 0.02 4.56 0.23 -0.63 -4.96 119.30 114.97 3dbx s MET 192 Ca 0.59 -1.39 -0.00 0.00 -1.03 0.00 0.00 55.69 53.85 3dbx s MET 192 Cb -0.14 -1.64 -0.02 0.00 -1.53 0.00 0.00 34.83 31.50 3dbx s MET 192 CO 0.53 0.36 -0.02 0.00 -2.03 0.00 0.00 175.02 173.85 3dbx s ALA 193 N -1.56 0.13 0.02 3.16 0.00 -1.26 -0.95 121.76 121.30 3dbx s ALA 193 Ca 0.15 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3dbx s ALA 193 Cb -0.08 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3dbx s ALA 193 CO 0.07 -0.18 -0.08 0.14 0.00 0.00 0.00 175.76 175.72 3dbx s VAL 194 N -1.64 0.59 -0.09 0.00 -7.23 -0.60 -4.98 120.40 106.46 3dbx s VAL 194 Ca -0.14 -0.64 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 3dbx s VAL 194 Cb -0.09 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.30 3dbx s VAL 194 CO -0.02 -0.06 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.81 3dbx s VAL 195 N -0.66 1.87 0.21 1.32 1.01 -1.26 -0.67 120.40 122.22 3dbx s VAL 195 Ca -0.02 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 3dbx s VAL 195 Cb -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3dbx s VAL 195 CO 0.00 0.52 0.28 0.72 0.00 0.00 0.00 175.10 176.62 3dbx s PHE 196 N 0.36 0.72 0.00 5.22 -0.71 -0.71 -4.86 117.98 118.00 3dbx s PHE 196 Ca -0.17 -1.03 0.08 0.00 -1.04 0.00 0.00 56.93 54.77 3dbx s PHE 196 Cb -0.17 -0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.42 3dbx s PHE 196 CO 0.07 -0.77 -0.23 0.00 -1.34 0.00 0.00 175.22 172.95 3dbx s ALA 197 N -4.07 2.32 0.16 1.99 0.00 -1.26 -0.78 121.76 120.13 3dbx s ALA 197 Ca 0.28 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3dbx s ALA 197 Cb 0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3dbx s ALA 197 CO 0.08 0.54 0.01 1.03 0.00 0.00 0.00 175.76 177.42 3dbx s ARG 198 N -0.91 1.06 0.60 0.00 1.81 0.41 -4.96 118.95 116.97 3dbx s ARG 198 Ca 0.11 -1.51 -0.19 0.00 -1.72 0.00 0.00 55.73 52.43 3dbx s ARG 198 Cb -0.10 -0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.20 3dbx s ARG 198 CO 0.01 -0.15 1.22 0.95 -0.68 0.00 0.00 175.30 176.65 3dbx s THR 199 N -3.73 2.56 0.16 0.02 -4.23 -1.26 -0.19 115.64 108.97 3dbx s THR 199 Ca 0.23 0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 61.03 3dbx s THR 199 Cb 0.06 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 3dbx s THR 199 CO 0.03 -0.08 0.22 0.00 -0.54 0.00 0.00 174.62 174.25 3dbx s ALA 200 N -1.59 0.33 0.97 3.99 0.00 -0.94 -4.44 121.76 120.09 3dbx s ALA 200 Ca 0.78 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 3dbx s ALA 200 Cb -0.31 0.92 0.17 0.00 0.00 0.00 0.00 23.12 23.90 3dbx s ALA 200 CO 0.34 -0.61 1.10 0.20 0.00 0.00 0.00 175.76 176.79 3dbx s GLY 201 N -3.01 1.58 -1.57 0.00 0.00 -1.26 -3.59 107.32 99.46 3dbx s GLY 201 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 3dbx s GLY 201 CO 0.02 0.25 0.12 -1.06 0.00 0.00 0.00 173.10 172.42 3dbx n GLN 202 N -4.07 -2.12 -3.40 2.90 6.02 -1.26 -2.49 117.38 112.97 3dbx n GLN 202 Ca 0.06 0.90 -0.24 0.00 -0.01 0.00 0.00 57.00 57.70 3dbx n GLN 202 Cb 0.57 -5.47 0.05 0.00 1.02 0.00 0.00 30.24 26.41 3dbx n GLN 202 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3dbx n VAL 203 N -4.10 -2.44 -4.07 5.09 0.31 -1.26 -5.01 118.33 106.85 3dbx n VAL 203 Ca -0.20 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.90 3dbx n VAL 203 Cb 0.66 -3.60 -0.06 0.00 -0.91 0.00 0.00 33.84 29.92 3dbx n VAL 203 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3dbx s GLN 204 N -6.10 2.38 0.02 5.55 -0.21 -1.04 -4.32 119.66 115.95 3dbx s GLN 204 Ca 0.48 -1.56 0.03 0.00 0.02 0.00 0.00 55.36 54.33 3dbx s GLN 204 Cb -0.22 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 3dbx s GLN 204 CO 0.59 0.08 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.31 3dbx s LEU 205 N -3.87 3.39 -0.32 2.90 1.43 0.11 -2.20 118.68 120.12 3dbx s LEU 205 Ca 0.38 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 3dbx s LEU 205 Cb -0.02 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3dbx s LEU 205 CO 0.23 0.26 0.18 -0.22 0.23 0.00 0.00 176.35 177.03 3dbx s LEU 206 N -1.66 4.21 -0.01 1.79 2.96 0.73 -1.17 118.68 125.53 3dbx s LEU 206 Ca 0.20 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 3dbx s LEU 206 Cb -0.11 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3dbx s LEU 206 CO 0.11 -0.20 0.52 -0.76 -1.32 0.00 0.00 176.35 174.70 3dbx s LEU 207 N 1.65 4.42 -0.09 -0.68 1.43 -0.04 -0.44 118.68 124.93 3dbx s LEU 207 Ca 0.05 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 3dbx s LEU 207 Cb -0.17 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.27 3dbx s LEU 207 CO 0.07 0.16 -0.20 -0.69 0.23 0.00 0.00 176.35 175.93 3dbx s VAL 208 N -0.38 1.77 -0.26 -1.59 1.01 0.04 -1.18 120.40 119.81 3dbx s VAL 208 Ca 0.28 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3dbx s VAL 208 Cb -0.17 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3dbx s VAL 208 CO 0.15 0.50 -0.02 0.00 0.00 0.00 0.00 175.10 175.73 3dbx s ARG 210 N 1.37 3.73 -0.15 0.00 3.52 0.16 -1.09 118.95 126.48 3dbx s ARG 210 Ca 0.01 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3dbx s ARG 210 Cb -0.17 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3dbx s ARG 210 CO -0.02 -0.14 -0.12 0.08 -0.81 0.00 0.00 175.30 174.28 3dbx s VAL 211 N 1.52 2.99 0.24 7.11 1.01 0.57 -1.55 120.40 132.30 3dbx s VAL 211 Ca 0.06 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3dbx s VAL 211 Cb -0.15 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3dbx s VAL 211 CO 0.05 0.50 0.01 0.42 0.00 0.00 0.00 175.10 176.08 3dbx s THR 212 N 0.69 1.05 0.00 3.92 -4.23 -0.13 -0.99 115.64 115.95 3dbx s THR 212 Ca -0.06 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 3dbx s THR 212 Cb -0.15 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3dbx s THR 212 CO 0.02 -0.27 0.00 -1.20 -0.54 0.00 0.00 174.62 172.63 3dbx n SER 213 N -0.46 -2.74 -4.91 3.99 7.64 -0.83 -1.60 113.62 114.71 3dbx n SER 213 Ca -0.04 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 3dbx n SER 213 Cb 0.64 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 3dbx n SER 213 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3dbx s PHE 214 N -2.20 3.53 -0.15 1.43 -0.71 -1.13 -4.64 117.98 114.11 3dbx s PHE 214 Ca 0.00 0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 56.08 3dbx s PHE 214 Cb 0.00 -1.81 0.04 0.00 -1.21 0.00 0.00 43.02 40.04 3dbx s PHE 214 CO 0.00 0.60 0.40 -0.47 -1.34 0.00 0.00 175.22 174.41 3dbx s TYR 215 N -1.46 -0.46 1.04 3.49 6.14 -0.10 -1.34 117.35 124.67 3dbx s TYR 215 Ca 0.33 1.10 -0.18 0.00 0.64 0.00 0.00 57.07 58.96 3dbx s TYR 215 Cb -0.13 0.16 0.25 0.00 0.42 0.00 0.00 41.96 42.67 3dbx s TYR 215 CO 0.24 -0.23 1.10 -0.35 0.64 0.00 0.00 175.55 176.96 3dbx n PRO 216 N 3.05 -2.25 -0.16 4.97 -0.04 -1.26 -0.98 135.00 138.32 3dbx n PRO 216 Ca -0.15 -1.74 -0.10 0.00 -0.04 0.00 0.00 63.50 61.47 3dbx n PRO 216 Cb 0.57 -1.41 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 3dbx n PRO 216 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3dbx h ARG 217 N 0.00 0.86 -6.92 0.54 2.43 -1.98 -3.45 114.38 105.85 3dbx h ARG 217 Ca -0.39 -0.30 -0.54 0.00 -0.81 0.00 0.00 59.98 57.95 3dbx h ARG 217 Cb 1.14 -0.07 0.10 0.00 -0.42 0.00 0.00 29.97 30.72 3dbx h ARG 217 CO 0.26 0.93 0.78 -2.14 -1.51 0.00 0.00 179.97 178.29 3dbx s PRO 218 N -4.92 4.13 -0.03 0.20 0.02 -1.26 -5.00 135.00 128.15 3dbx s PRO 218 Ca -0.12 2.54 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 3dbx s PRO 218 Cb 0.11 -2.98 0.09 0.00 0.02 0.00 0.00 34.50 31.74 3dbx s PRO 218 CO 0.83 -0.52 0.79 -1.50 -0.33 0.00 0.00 177.00 176.27 3dbx s ILE 219 N -1.00 0.00 -0.06 2.83 2.07 -1.26 -4.67 121.20 119.11 3dbx s ILE 219 Ca 0.54 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.78 3dbx s ILE 219 Cb -0.46 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.15 3dbx s ILE 219 CO 0.61 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 173.58 3dbx s ALA 220 N -2.06 0.86 -0.17 1.50 0.00 -0.44 -5.01 121.76 116.44 3dbx s ALA 220 Ca -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3dbx s ALA 220 Cb -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3dbx s ALA 220 CO -0.01 -0.08 -0.19 0.08 0.00 0.00 0.00 175.76 175.56 3dbx s VAL 221 N 1.07 1.98 0.20 0.00 1.01 -1.26 -0.19 120.40 123.21 3dbx s VAL 221 Ca -0.08 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.08 3dbx s VAL 221 Cb -0.14 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3dbx s VAL 221 CO -0.01 0.53 -0.16 0.42 0.00 0.00 0.00 175.10 175.89 3dbx s THR 222 N 1.25 1.79 -0.07 3.92 -4.23 0.43 -4.98 115.64 113.74 3dbx s THR 222 Ca 0.03 -2.15 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 3dbx s THR 222 Cb -0.13 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 3dbx s THR 222 CO -0.11 -0.52 0.12 0.26 -0.54 0.00 0.00 174.62 173.84 3dbx s TRP 223 N -2.72 3.49 -0.10 3.99 0.52 -1.26 -0.17 118.94 122.69 3dbx s TRP 223 Ca 0.21 0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.75 3dbx s TRP 223 Cb -0.02 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 3dbx s TRP 223 CO 0.07 0.66 -0.16 -0.51 0.02 0.00 0.00 176.95 177.03 3dbx s LEU 224 N -1.33 2.58 -0.26 2.99 1.43 0.11 -1.22 118.68 122.98 3dbx s LEU 224 Ca 0.19 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3dbx s LEU 224 Cb -0.12 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3dbx s LEU 224 CO 0.09 0.23 -0.02 -0.60 0.23 0.00 0.00 176.35 176.27 3dbx s ARG 225 N -0.02 2.92 -1.05 1.70 3.52 0.10 -2.22 118.95 123.91 3dbx s ARG 225 Ca -0.05 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 3dbx s ARG 225 Cb -0.14 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 3dbx s ARG 225 CO 0.04 -0.41 0.00 -0.25 -0.81 0.00 0.00 175.30 173.87 3dbx n ASP 226 N 4.73 -3.35 0.00 -2.12 8.00 -0.03 -2.22 116.55 121.56 3dbx n ASP 226 Ca -0.16 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3dbx n ASP 226 Cb 0.47 -2.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 3dbx n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dbx n GLY 227 N -0.06 0.44 3.87 0.44 0.00 -1.26 -5.03 105.19 103.59 3dbx n GLY 227 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3dbx n GLY 227 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dbx s ARG 228 N -0.89 3.44 0.18 1.61 3.03 -0.94 -4.99 118.95 120.40 3dbx s ARG 228 Ca 0.00 -0.15 -0.32 0.00 2.03 0.00 0.00 55.73 57.29 3dbx s ARG 228 Cb 0.00 -3.18 -0.12 0.00 -1.03 0.00 0.00 34.95 30.62 3dbx s ARG 228 CO 0.00 0.76 1.72 -1.91 -1.13 0.00 0.00 175.30 174.74 3dbx n GLU 229 N 2.04 2.68 -2.33 3.89 2.13 -1.26 -0.72 120.64 127.07 3dbx n GLU 229 Ca -0.20 0.97 -0.43 0.00 0.66 0.00 0.00 57.16 58.16 3dbx n GLU 229 Cb 0.55 -2.81 -0.02 0.00 0.27 0.00 0.00 31.44 29.42 3dbx n GLU 229 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dbx s VAL 230 N 1.42 4.11 0.93 6.31 1.01 -0.36 -4.85 120.40 128.99 3dbx s VAL 230 Ca 0.77 1.33 -0.12 0.00 0.00 0.00 0.00 61.98 63.97 3dbx s VAL 230 Cb -0.53 -3.89 0.15 0.00 0.00 0.00 0.00 36.38 32.11 3dbx s VAL 230 CO 0.34 -0.15 1.09 -2.16 0.00 0.00 0.00 175.10 174.22 3dbx s PRO 231 N 3.70 0.94 0.19 2.72 0.04 -1.26 -4.75 135.00 136.59 3dbx s PRO 231 Ca 0.59 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 3dbx s PRO 231 Cb -0.24 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 3dbx s PRO 231 CO 0.19 -2.46 0.97 -1.25 0.04 0.00 0.00 177.00 174.49 3dbx s PRO 232 N -4.88 4.77 0.30 0.56 0.05 -1.26 -4.89 135.00 129.65 3dbx s PRO 232 Ca 0.64 1.51 -0.10 0.00 0.05 0.00 0.00 61.00 63.11 3dbx s PRO 232 Cb -0.19 -3.31 0.01 0.00 0.05 0.00 0.00 34.50 31.06 3dbx s PRO 232 CO 0.58 0.35 0.53 -1.54 0.05 0.00 0.00 177.00 176.97 3dbx s SER 233 N -0.65 0.28 0.61 6.66 1.04 -1.26 -5.02 113.70 115.36 3dbx s SER 233 Ca 0.44 -1.16 0.28 0.00 0.48 0.00 0.00 55.95 56.00 3dbx s SER 233 Cb -0.26 0.66 1.48 0.00 0.10 0.00 0.00 66.02 68.01 3dbx s SER 233 CO 0.32 -1.29 1.88 -0.65 0.98 0.00 0.00 173.24 174.48 3dbx h PRO 234 N 2.16 0.00 0.00 4.02 0.11 -2.03 -1.37 132.00 134.89 3dbx h PRO 234 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3dbx h PRO 234 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3dbx h PRO 234 CO 0.37 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 177.97 3dbx h ALA 235 N 1.38 1.26 -3.18 -0.75 0.00 -1.95 -3.44 119.26 112.58 3dbx h ALA 235 Ca 0.15 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 54.23 3dbx h ALA 235 Cb 1.05 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.54 3dbx h ALA 235 CO -0.00 0.23 -0.74 -1.17 0.00 0.00 0.00 179.25 177.57 3dbx s LEU 236 N -7.37 2.81 -0.10 0.00 0.20 -0.52 -0.27 118.68 113.44 3dbx s LEU 236 Ca -0.02 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.46 3dbx s LEU 236 Cb 0.13 -1.67 0.02 0.00 -0.43 0.00 0.00 46.19 44.24 3dbx s LEU 236 CO 0.62 0.09 -0.09 -0.55 -0.29 0.00 0.00 176.35 176.13 3dbx s SER 237 N 0.83 2.04 -0.18 3.68 0.15 0.54 -4.61 113.70 116.15 3dbx s SER 237 Ca -0.03 -0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.26 3dbx s SER 237 Cb -0.15 -0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 3dbx s SER 237 CO 0.01 -0.07 0.01 0.28 1.20 0.00 0.00 173.24 174.67 3dbx s THR 238 N 1.36 4.26 0.67 6.45 -1.32 -1.26 0.70 115.64 126.50 3dbx s THR 238 Ca -0.01 -0.22 -0.11 0.00 -1.21 0.00 0.00 61.69 60.13 3dbx s THR 238 Cb -0.14 -2.91 0.16 0.00 -1.51 0.00 0.00 72.50 68.11 3dbx s THR 238 CO -0.05 0.46 0.74 0.61 -2.21 0.00 0.00 174.62 174.17 3dbx n GLY 239 N 3.79 -1.97 3.89 6.08 0.00 0.69 -5.00 105.19 112.68 3dbx n GLY 239 Ca -0.17 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 3dbx n GLY 239 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dbx s THR 240 N -2.50 4.96 0.25 2.61 2.01 -1.26 -4.80 115.64 116.90 3dbx s THR 240 Ca 0.45 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 3dbx s THR 240 Cb -0.03 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 3dbx s THR 240 CO 0.33 -0.33 1.02 -0.69 -0.69 0.00 0.00 174.62 174.26 3dbx s VAL 241 N -2.10 3.82 0.03 3.82 1.01 -1.26 -4.54 120.40 121.17 3dbx s VAL 241 Ca 0.46 1.81 0.09 0.00 0.00 0.00 0.00 61.98 64.34 3dbx s VAL 241 Cb -0.11 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3dbx s VAL 241 CO 0.29 0.42 -0.26 -0.76 0.00 0.00 0.00 175.10 174.78 3dbx s LEU 242 N -1.19 2.14 0.25 3.92 1.43 0.87 -4.94 118.68 121.16 3dbx s LEU 242 Ca 0.43 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3dbx s LEU 242 Cb -0.29 -1.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 3dbx s LEU 242 CO 0.36 0.27 0.71 -2.16 0.23 0.00 0.00 176.35 175.76 3dbx s PRO 243 N -1.09 4.12 0.22 1.29 0.04 -1.26 -1.16 135.00 137.16 3dbx s PRO 243 Ca 0.11 0.74 0.02 0.00 0.04 0.00 0.00 61.00 61.91 3dbx s PRO 243 Cb -0.10 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 3dbx s PRO 243 CO 0.01 0.31 0.38 -0.80 0.04 0.00 0.00 177.00 176.94 3dbx s ASN 244 N -1.92 6.34 0.64 6.66 0.01 -0.42 -4.92 114.94 121.32 3dbx s ASN 244 Ca 0.47 0.24 0.42 0.00 -0.71 0.00 0.00 52.86 53.27 3dbx s ASN 244 Cb -0.14 -1.94 2.22 0.00 0.41 0.00 0.00 41.25 41.80 3dbx s ASN 244 CO 0.19 -0.07 2.30 0.00 -1.51 0.00 0.00 177.10 178.02 3dbx h ALA 245 N 1.55 1.04 -0.65 0.60 0.00 -1.99 -3.12 119.26 116.69 3dbx h ALA 245 Ca -0.50 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 3dbx h ALA 245 Cb 1.21 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 3dbx h ALA 245 CO 0.65 0.01 0.26 -0.40 0.00 0.00 0.00 179.25 179.76 3dbx n ASP 246 N -3.15 4.34 -3.84 0.00 5.75 -1.26 -4.89 116.55 113.50 3dbx n ASP 246 Ca -0.02 -3.05 -0.26 0.00 -0.01 0.00 0.00 54.79 51.45 3dbx n ASP 246 Cb 0.11 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 3dbx n ASP 246 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3dbx n LEU 247 N -0.14 -2.56 -4.58 -2.12 7.94 -1.18 -5.03 117.00 109.34 3dbx n LEU 247 Ca 0.36 -0.97 -0.27 0.00 -1.11 0.00 0.00 56.01 54.02 3dbx n LEU 247 Cb 1.25 -2.36 -0.09 0.00 0.53 0.00 0.00 43.42 42.76 3dbx n LEU 247 CO 0.39 0.44 -0.24 0.42 -1.11 0.00 0.00 177.39 177.28 3dbx s THR 248 N -3.79 1.02 0.24 1.96 -4.23 -1.26 -4.84 115.64 104.75 3dbx s THR 248 Ca 0.11 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 3dbx s THR 248 Cb -0.04 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 3dbx s THR 248 CO 0.87 0.00 0.04 -0.31 -0.54 0.00 0.00 174.62 174.67 3dbx s TYR 249 N -3.09 1.55 0.01 3.99 2.02 -0.45 -1.30 117.35 120.08 3dbx s TYR 249 Ca 0.23 -1.03 -0.06 0.00 -0.37 0.00 0.00 57.07 55.84 3dbx s TYR 249 Cb 0.04 -0.92 -0.00 0.00 -0.40 0.00 0.00 41.96 40.69 3dbx s TYR 249 CO 0.12 -0.16 0.12 -0.65 -1.57 0.00 0.00 175.55 173.41 3dbx s GLN 250 N -3.93 0.50 -0.02 -0.62 -0.21 -0.31 -1.97 119.66 113.10 3dbx s GLN 250 Ca 0.32 -0.49 -0.18 0.00 0.02 0.00 0.00 55.36 55.03 3dbx s GLN 250 Cb 0.07 0.20 0.03 0.00 1.00 0.00 0.00 33.01 34.31 3dbx s GLN 250 CO 0.10 -0.12 0.37 -1.17 -2.12 0.00 0.00 175.29 172.36 3dbx s LEU 251 N -1.56 0.60 -0.08 2.90 0.20 -0.16 -0.09 118.68 120.49 3dbx s LEU 251 Ca -0.13 0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.91 3dbx s LEU 251 Cb -0.06 1.48 0.01 0.00 -0.43 0.00 0.00 46.19 47.19 3dbx s LEU 251 CO 0.00 -0.48 -0.19 -0.60 -0.29 0.00 0.00 176.35 174.79 3dbx s ARG 252 N -1.32 2.42 0.03 1.98 3.52 -1.26 -0.31 118.95 124.01 3dbx s ARG 252 Ca -0.13 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 3dbx s ARG 252 Cb -0.04 -1.89 -0.03 0.00 -1.56 0.00 0.00 34.95 31.42 3dbx s ARG 252 CO 0.05 0.12 -0.17 0.45 -0.81 0.00 0.00 175.30 174.94 3dbx s SER 253 N 0.45 3.84 0.05 -2.12 0.15 -0.25 -0.23 113.70 115.59 3dbx s SER 253 Ca -0.16 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.12 3dbx s SER 253 Cb -0.17 -0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 63.47 3dbx s SER 253 CO 0.06 0.27 -0.08 0.42 1.20 0.00 0.00 173.24 175.11 3dbx s THR 254 N -0.90 0.60 -0.07 6.45 -4.23 0.22 -0.78 115.64 116.94 3dbx s THR 254 Ca 0.14 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 3dbx s THR 254 Cb -0.11 -0.72 0.03 0.00 1.34 0.00 0.00 72.50 73.04 3dbx s THR 254 CO 0.05 -0.40 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.49 3dbx s LEU 255 N -1.69 0.82 0.04 4.79 2.96 -0.33 -0.34 118.68 124.92 3dbx s LEU 255 Ca -0.08 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 3dbx s LEU 255 Cb -0.09 -0.47 -0.05 0.00 0.50 0.00 0.00 46.19 46.09 3dbx s LEU 255 CO 0.00 -0.15 1.13 -0.76 -1.32 0.00 0.00 176.35 175.25 3dbx s LEU 256 N 1.69 4.37 0.13 -0.68 1.43 0.63 -0.86 118.68 125.39 3dbx s LEU 256 Ca 0.01 1.89 0.04 0.00 -1.03 0.00 0.00 54.13 55.04 3dbx s LEU 256 Cb -0.13 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3dbx s LEU 256 CO -0.04 -0.41 -0.09 0.68 0.23 0.00 0.00 176.35 176.72 3dbx s VAL 257 N 1.10 1.03 0.18 -1.59 -7.23 -0.32 -4.90 120.40 108.67 3dbx s VAL 257 Ca 0.56 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 58.46 3dbx s VAL 257 Cb -0.26 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 3dbx s VAL 257 CO 0.28 -0.78 0.80 -0.44 -0.31 0.00 0.00 175.10 174.66 3dbx s SER 258 N -3.11 7.43 0.53 4.85 0.01 -1.26 0.06 113.70 122.21 3dbx s SER 258 Ca 0.15 1.69 -0.21 0.00 1.31 0.00 0.00 55.95 58.89 3dbx s SER 258 Cb 0.03 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 3dbx s SER 258 CO -0.01 0.20 1.23 -2.16 0.41 0.00 0.00 173.24 172.91 3dbx s PRO 259 N -1.16 3.33 -1.55 12.44 0.04 -1.26 -3.54 135.00 143.30 3dbx s PRO 259 Ca 0.37 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 3dbx s PRO 259 Cb -0.23 -2.21 0.10 0.00 0.04 0.00 0.00 34.50 32.20 3dbx s PRO 259 CO 0.27 -0.94 0.87 1.04 0.04 0.00 0.00 177.00 178.28 3dbx n GLN 260 N -1.00 -4.72 0.07 4.56 6.02 -1.26 -4.88 117.38 116.16 3dbx n GLN 260 Ca 0.10 0.54 0.13 0.00 -0.01 0.00 0.00 57.00 57.77 3dbx n GLN 260 Cb 0.48 -5.38 0.48 0.00 1.02 0.00 0.00 30.24 26.84 3dbx n GLN 260 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3dbx n ASP 261 N -2.71 0.52 0.00 1.08 5.68 -1.23 -4.92 116.55 114.97 3dbx n ASP 261 Ca 0.04 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 3dbx n ASP 261 Cb 0.52 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3dbx n ASP 261 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dbx n GLY 262 N 1.38 0.65 3.72 6.12 0.00 -1.26 -5.07 105.19 110.72 3dbx n GLY 262 Ca 0.06 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3dbx n GLY 262 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dbx s HIS 263 N -2.00 3.09 -0.11 1.61 3.76 -1.26 -5.07 115.29 115.31 3dbx s HIS 263 Ca 0.00 0.06 -0.09 0.00 -0.15 0.00 0.00 55.06 54.88 3dbx s HIS 263 Cb 0.00 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 3dbx s HIS 263 CO 0.00 0.49 0.19 0.20 -0.85 0.00 0.00 174.74 174.77 3dbx s GLY 264 N -2.03 2.20 0.13 -2.22 0.00 -1.26 -4.95 107.32 99.19 3dbx s GLY 264 Ca 0.24 -0.57 0.09 0.00 0.00 0.00 0.00 44.72 44.49 3dbx s GLY 264 CO 0.16 -0.23 -0.18 -0.19 0.00 0.00 0.00 173.10 172.66 3dbx s TYR 265 N -0.87 2.51 -0.10 1.90 1.51 -1.26 -0.85 117.35 120.19 3dbx s TYR 265 Ca 0.16 -0.27 -0.20 0.00 -1.01 0.00 0.00 57.07 55.75 3dbx s TYR 265 Cb -0.13 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.44 3dbx s TYR 265 CO 0.05 0.40 0.48 0.00 -1.11 0.00 0.00 175.55 175.37 3dbx s ALA 266 N -1.20 -1.21 -0.11 3.71 0.00 -0.94 -0.50 121.76 121.50 3dbx s ALA 266 Ca 0.18 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 3dbx s ALA 266 Cb -0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3dbx s ALA 266 CO 0.10 -0.27 0.56 0.00 0.00 0.00 0.00 175.76 176.15 3dbx s ARG 268 N 0.84 3.00 -0.15 0.00 3.52 0.76 -0.76 118.95 126.16 3dbx s ARG 268 Ca 0.30 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 3dbx s ARG 268 Cb -0.16 -2.44 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 3dbx s ARG 268 CO 0.13 0.33 -0.21 0.08 -0.81 0.00 0.00 175.30 174.81 3dbx s VAL 269 N 0.03 2.03 -0.15 7.11 1.01 0.61 -0.43 120.40 130.60 3dbx s VAL 269 Ca -0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3dbx s VAL 269 Cb -0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3dbx s VAL 269 CO 0.05 0.54 -0.08 -1.58 0.00 0.00 0.00 175.10 174.03 3dbx s GLN 270 N 0.94 3.51 -0.13 2.72 0.74 0.73 -1.68 119.66 126.51 3dbx s GLN 270 Ca -0.04 -0.60 -0.13 0.00 0.05 0.00 0.00 55.36 54.64 3dbx s GLN 270 Cb -0.15 -2.81 0.03 0.00 1.10 0.00 0.00 33.01 31.18 3dbx s GLN 270 CO -0.05 0.17 0.36 -1.58 -0.55 0.00 0.00 175.29 173.65 3dbx s HIS 271 N 0.51 -0.39 0.50 1.67 2.46 -1.26 -1.32 115.29 117.46 3dbx s HIS 271 Ca -0.06 0.92 0.25 0.00 0.47 0.00 0.00 55.06 56.65 3dbx s HIS 271 Cb -0.15 0.14 1.52 0.00 -0.13 0.00 0.00 32.58 33.96 3dbx s HIS 271 CO 0.03 -0.21 2.14 0.00 -2.47 0.00 0.00 174.74 174.23 3dbx n SER 273 N -3.90 0.54 0.02 0.00 3.41 -1.26 -2.56 113.62 109.86 3dbx n SER 273 Ca -0.02 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3dbx n SER 273 Cb 0.16 -0.75 0.12 0.00 -0.26 0.00 0.00 64.21 63.49 3dbx n SER 273 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dbx n LEU 274 N -2.10 0.62 0.00 1.04 4.77 -0.59 -4.84 117.00 115.90 3dbx n LEU 274 Ca 0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3dbx n LEU 274 Cb 0.21 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3dbx n LEU 274 CO 0.18 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3dbx n GLY 275 N 1.44 2.66 0.08 -0.72 0.00 -1.06 -2.96 105.19 104.63 3dbx n GLY 275 Ca 0.04 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3dbx n GLY 275 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dbx n ASP 276 N 3.52 0.60 -4.74 1.61 8.00 -1.26 -4.75 116.55 119.53 3dbx n ASP 276 Ca 0.00 0.56 -0.39 0.00 0.71 0.00 0.00 54.79 55.68 3dbx n ASP 276 Cb 0.00 -0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 40.32 3dbx n ASP 276 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dbx s ARG 277 N -3.09 4.33 0.58 -1.24 0.52 -1.16 -5.08 118.95 113.82 3dbx s ARG 277 Ca 0.11 0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 55.91 3dbx s ARG 277 Cb 0.14 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 32.23 3dbx s ARG 277 CO 0.56 0.24 0.87 -1.12 0.02 0.00 0.00 175.30 175.88 3dbx s SER 278 N 0.29 5.52 -0.23 0.23 0.01 -1.26 -4.72 113.70 113.54 3dbx s SER 278 Ca 0.30 0.58 -0.16 0.00 1.31 0.00 0.00 55.95 57.98 3dbx s SER 278 Cb -0.17 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 3dbx s SER 278 CO 0.14 -1.08 0.42 -0.22 0.41 0.00 0.00 173.24 172.92 3dbx s LEU 279 N -4.94 4.10 -0.16 2.44 2.96 -0.68 -4.96 118.68 117.44 3dbx s LEU 279 Ca 0.54 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 3dbx s LEU 279 Cb -0.10 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.08 3dbx s LEU 279 CO 0.44 -0.16 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.93 3dbx s LEU 280 N 1.75 1.83 -0.28 -0.68 2.96 -1.26 -0.28 118.68 122.72 3dbx s LEU 280 Ca 0.19 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3dbx s LEU 280 Cb -0.15 -1.28 0.08 0.00 0.50 0.00 0.00 46.19 45.34 3dbx s LEU 280 CO 0.09 -0.04 0.01 -0.69 -1.32 0.00 0.00 176.35 174.40 3dbx s VAL 281 N 1.41 1.57 0.56 1.68 1.01 0.06 -5.00 120.40 121.69 3dbx s VAL 281 Ca 0.05 -1.57 -0.19 0.00 0.00 0.00 0.00 61.98 60.27 3dbx s VAL 281 Cb -0.13 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3dbx s VAL 281 CO -0.11 -0.38 1.15 -2.84 0.00 0.00 0.00 175.10 172.92 3dbx s PRO 282 N 1.32 3.22 -0.34 2.72 0.02 -1.26 -0.96 135.00 139.71 3dbx s PRO 282 Ca 0.03 1.64 -0.22 0.00 0.02 0.00 0.00 61.00 62.46 3dbx s PRO 282 Cb -0.18 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3dbx s PRO 282 CO -0.11 -0.97 0.73 -0.46 -0.33 0.00 0.00 177.00 175.86 3dbx s TRP 283 N -1.78 3.15 -0.08 6.54 -0.00 0.34 -4.77 118.94 122.35 3dbx s TRP 283 Ca 0.73 0.57 -0.01 0.00 -0.00 0.00 0.00 56.10 57.40 3dbx s TRP 283 Cb -0.25 -3.25 -0.03 0.00 -0.00 0.00 0.00 33.47 29.93 3dbx s TRP 283 CO 0.30 -0.64 -0.04 -1.01 -0.00 0.00 0.00 176.95 175.55 3dbx s HIS 284 N 2.92 3.03 -2.40 5.86 3.76 -1.26 -4.67 115.29 122.53 3dbx s HIS 284 Ca 0.29 0.05 0.29 0.00 -0.15 0.00 0.00 55.06 55.54 3dbx s HIS 284 Cb -0.14 -1.76 1.22 0.00 1.11 0.00 0.00 32.58 33.01 3dbx s HIS 284 CO 0.15 0.35 1.84 0.72 -0.85 0.00 0.00 174.74 176.95