#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxm n ILE 2 N 0.00 1.52 -3.17 1.12 5.41 -1.26 -4.91 119.36 118.07 3dxm n ILE 2 Ca 0.00 -0.12 -0.39 0.00 1.00 0.00 0.00 62.75 63.24 3dxm n ILE 2 Cb 0.00 -2.04 -0.06 0.00 -0.71 0.00 0.00 39.64 36.83 3dxm n ILE 2 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3dxm s LEU 3 N -7.77 4.46 0.46 1.39 1.43 -1.26 -5.01 118.68 112.37 3dxm s LEU 3 Ca -0.31 1.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.83 3dxm s LEU 3 Cb 0.09 -2.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.24 3dxm s LEU 3 CO 0.51 0.14 1.05 -0.76 0.23 0.00 0.00 176.35 177.52 3dxm s LEU 4 N -0.46 3.95 0.61 1.79 1.43 -1.26 -5.02 118.68 119.73 3dxm s LEU 4 Ca 0.32 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 55.29 3dxm s LEU 4 Cb -0.19 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 3dxm s LEU 4 CO 0.19 -0.71 1.03 -1.61 0.23 0.00 0.00 176.35 175.49 3dxm s GLU 5 N -2.95 3.47 -0.18 1.70 2.02 -1.26 -5.00 118.70 116.50 3dxm s GLU 5 Ca 0.64 0.90 0.08 0.00 0.02 0.00 0.00 54.97 56.61 3dxm s GLU 5 Cb -0.19 -2.06 -0.22 0.00 0.10 0.00 0.00 34.13 31.75 3dxm s GLU 5 CO 0.24 -0.68 0.13 0.28 0.02 0.00 0.00 175.26 175.25 3dxm n VAL 6 N -2.51 1.52 -2.74 2.63 0.31 -1.26 -4.98 118.33 111.30 3dxm n VAL 6 Ca 0.07 -0.73 -0.32 0.00 -0.01 0.00 0.00 64.34 63.35 3dxm n VAL 6 Cb 0.54 -1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 3dxm n VAL 6 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3dxm s ASN 7 N -6.17 6.69 -0.34 4.52 0.01 -1.26 -4.79 114.94 113.61 3dxm s ASN 7 Ca -0.19 1.43 -0.17 0.00 -0.71 0.00 0.00 52.86 53.22 3dxm s ASN 7 Cb 0.07 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 3dxm s ASN 7 CO 0.75 -0.42 0.45 0.21 -1.51 0.00 0.00 177.10 176.58 3dxm s ASN 8 N -2.75 6.27 0.33 -1.22 3.84 -0.37 -4.97 114.94 116.07 3dxm s ASN 8 Ca 0.57 -0.04 0.02 0.00 0.21 0.00 0.00 52.86 53.62 3dxm s ASN 8 Cb -0.10 -2.24 0.56 0.00 -0.55 0.00 0.00 41.25 38.92 3dxm s ASN 8 CO 0.25 -0.40 1.89 0.03 -2.79 0.00 0.00 177.10 176.08 3dxm h ARG 9 N 8.41 0.66 -0.60 0.43 3.08 -1.96 -2.53 114.38 121.87 3dxm h ARG 9 Ca -0.29 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.58 3dxm h ARG 9 Cb 1.13 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 3dxm h ARG 9 CO 0.73 0.60 0.12 0.82 -1.07 0.00 0.00 179.97 181.18 3dxm h ILE 10 N 0.65 1.25 0.17 2.04 2.04 -1.99 -0.06 117.51 121.61 3dxm h ILE 10 Ca 0.15 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3dxm h ILE 10 Cb 0.24 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3dxm h ILE 10 CO -0.00 0.35 -0.08 0.40 0.00 0.00 0.00 178.15 178.82 3dxm h ILE 11 N 0.88 0.91 -0.57 -0.67 2.04 -1.91 -1.94 117.51 116.26 3dxm h ILE 11 Ca 0.19 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3dxm h ILE 11 Cb 0.39 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3dxm h ILE 11 CO 0.01 0.08 0.27 -0.33 0.00 0.00 0.00 178.15 178.18 3dxm h GLU 12 N -0.40 0.83 -0.20 2.37 5.08 -1.36 -1.75 114.58 119.15 3dxm h GLU 12 Ca -0.02 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 3dxm h GLU 12 Cb 0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3dxm h GLU 12 CO 0.04 0.68 -0.53 0.93 -1.00 0.00 0.00 179.01 179.13 3dxm h GLU 13 N 0.78 0.59 0.14 2.33 5.08 -1.05 -0.47 114.58 121.98 3dxm h GLU 13 Ca 0.20 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3dxm h GLU 13 Cb 0.13 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3dxm h GLU 13 CO -0.02 0.98 -0.07 1.15 -1.00 0.00 0.00 179.01 180.04 3dxm h THR 14 N 0.46 0.94 -0.32 1.13 2.02 -1.25 -2.00 112.91 113.89 3dxm h THR 14 Ca 0.01 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3dxm h THR 14 Cb 1.08 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3dxm h THR 14 CO 0.10 0.08 0.10 -0.07 0.37 0.00 0.00 175.52 176.10 3dxm h LEU 15 N -0.35 0.48 -0.49 2.58 3.38 -1.33 -2.44 115.31 117.14 3dxm h LEU 15 Ca -0.02 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.84 3dxm h LEU 15 Cb 0.28 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 3dxm h LEU 15 CO 0.03 0.56 -0.02 0.00 0.09 0.00 0.00 178.44 179.10 3dxm h ALA 16 N 0.93 0.44 -0.63 1.53 0.00 -1.05 0.22 119.26 120.70 3dxm h ALA 16 Ca 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3dxm h ALA 16 Cb 0.26 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3dxm h ALA 16 CO -0.00 -0.40 0.32 1.25 0.00 0.00 0.00 179.25 180.42 3dxm h LEU 17 N 0.09 0.82 -0.68 0.00 5.85 -1.24 -1.02 115.31 119.13 3dxm h LEU 17 Ca 0.24 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 3dxm h LEU 17 Cb 0.37 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3dxm h LEU 17 CO -0.42 0.71 -0.23 0.11 -0.34 0.00 0.00 178.44 178.27 3dxm h LYS 18 N 0.87 0.78 -0.24 1.25 1.79 -0.84 -2.60 116.57 117.58 3dxm h LYS 18 Ca 0.22 -0.32 -0.16 0.00 -2.18 0.00 0.00 60.65 58.21 3dxm h LYS 18 Cb 0.10 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3dxm h LYS 18 CO -0.03 0.93 -0.49 0.74 -1.08 0.00 0.00 179.45 179.53 3dxm h PHE 19 N 0.68 0.81 -0.39 -1.35 0.04 -0.36 -2.08 116.94 114.30 3dxm h PHE 19 Ca 0.09 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.52 3dxm h PHE 19 Cb 0.74 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 3dxm h PHE 19 CO 0.04 1.02 -0.04 1.49 -0.60 0.00 0.00 178.31 180.22 3dxm h GLU 20 N 0.52 0.71 -0.01 1.51 4.81 -1.12 -1.38 114.58 119.63 3dxm h GLU 20 Ca 0.02 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 3dxm h GLU 20 Cb 1.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3dxm h GLU 20 CO 0.10 0.83 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.85 3dxm h ASN 21 N 0.53 0.02 -0.03 1.04 2.35 -1.47 -1.01 115.58 117.02 3dxm h ASN 21 Ca 0.11 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3dxm h ASN 21 Cb 0.53 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 3dxm h ASN 21 CO 0.03 0.47 -0.03 0.00 -1.65 0.00 0.00 177.43 176.24 3dxm h ALA 22 N 1.54 0.05 -0.29 -0.83 0.00 -1.21 -1.83 119.26 116.68 3dxm h ALA 22 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3dxm h ALA 22 Cb 0.80 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3dxm h ALA 22 CO 0.06 -0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.26 3dxm h ALA 23 N 0.54 1.70 0.00 0.00 0.00 -1.14 -1.15 119.26 119.21 3dxm h ALA 23 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dxm h ALA 23 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dxm h ALA 23 CO 0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3dxm h ALA 24 N 1.75 1.00 0.00 0.00 0.00 -1.08 -3.47 119.26 117.47 3dxm h ALA 24 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dxm h ALA 24 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dxm h ALA 24 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3dxm n GLY 25 N 0.32 0.81 3.83 0.00 0.00 -0.43 -5.07 105.19 104.64 3dxm n GLY 25 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3dxm n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dxm s ASN 26 N -2.06 4.76 0.18 1.61 0.01 -0.71 -5.02 114.94 113.71 3dxm s ASN 26 Ca 0.00 1.27 -0.30 0.00 -0.71 0.00 0.00 52.86 53.12 3dxm s ASN 26 Cb 0.00 -2.02 -0.08 0.00 0.41 0.00 0.00 41.25 39.56 3dxm s ASN 26 CO 0.00 -1.79 1.01 -0.54 -1.51 0.00 0.00 177.10 174.26 3dxm s LYS 27 N -5.21 4.71 0.27 -0.60 -0.14 -1.26 -4.71 119.74 112.80 3dxm s LYS 27 Ca 0.60 1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 56.48 3dxm s LYS 27 Cb -0.13 -3.30 -0.10 0.00 -1.68 0.00 0.00 37.83 32.62 3dxm s LYS 27 CO 0.54 0.27 1.26 -1.25 -0.76 0.00 0.00 175.35 175.41 3dxm s PRO 28 N -0.59 4.43 0.22 -1.68 0.05 -1.26 -5.03 135.00 131.13 3dxm s PRO 28 Ca 0.46 2.07 -0.05 0.00 0.05 0.00 0.00 61.00 63.53 3dxm s PRO 28 Cb -0.27 -3.14 -0.05 0.00 0.05 0.00 0.00 34.50 31.09 3dxm s PRO 28 CO 0.33 -0.13 0.47 -1.21 0.05 0.00 0.00 177.00 176.50 3dxm s GLU 29 N -1.05 3.63 0.58 4.56 0.41 -1.26 -4.95 118.70 120.62 3dxm s GLU 29 Ca 0.51 -0.06 -0.18 0.00 -0.41 0.00 0.00 54.97 54.83 3dxm s GLU 29 Cb -0.37 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.19 3dxm s GLU 29 CO 0.45 0.34 1.12 0.00 -0.49 0.00 0.00 175.26 176.68 3dxm s ALA 30 N -1.88 2.64 -0.01 5.21 0.00 -1.26 -4.95 121.76 121.51 3dxm s ALA 30 Ca 0.42 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3dxm s ALA 30 Cb -0.11 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3dxm s ALA 30 CO 0.27 -0.90 0.01 0.54 0.00 0.00 0.00 175.76 175.68 3dxm s VAL 31 N -1.96 0.02 -0.30 0.00 0.11 -1.26 -5.11 120.40 111.89 3dxm s VAL 31 Ca 0.71 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.87 3dxm s VAL 31 Cb -0.22 -0.09 0.15 0.00 -1.53 0.00 0.00 36.38 34.69 3dxm s VAL 31 CO 0.31 0.06 0.37 -0.70 -3.33 0.00 0.00 175.10 171.82 3dxm s GLU 32 N 0.60 0.41 -0.07 1.54 2.56 -1.25 -3.57 118.70 118.92 3dxm s GLU 32 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.97 54.87 3dxm s GLU 32 Cb -0.08 -0.46 0.01 0.00 2.00 0.00 0.00 34.13 35.61 3dxm s GLU 32 CO -0.02 -1.05 -0.11 0.08 -0.56 0.00 0.00 175.26 173.60 3dxm s VAL 33 N 2.36 1.07 -0.18 3.70 1.01 -0.15 -4.99 120.40 123.22 3dxm s VAL 33 Ca 0.10 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3dxm s VAL 33 Cb -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3dxm s VAL 33 CO -0.28 0.34 -0.20 -0.89 0.00 0.00 0.00 175.10 174.07 3dxm s THR 34 N 0.73 2.05 0.35 3.92 2.01 -1.26 -0.82 115.64 122.63 3dxm s THR 34 Ca -0.13 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 60.93 3dxm s THR 34 Cb -0.16 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 3dxm s THR 34 CO 0.03 0.52 0.43 0.72 -0.69 0.00 0.00 174.62 175.63 3dxm s PHE 35 N 1.29 1.34 0.36 4.92 -0.12 -1.16 -5.01 117.98 119.61 3dxm s PHE 35 Ca 0.05 -1.46 0.03 0.00 -0.05 0.00 0.00 56.93 55.50 3dxm s PHE 35 Cb -0.13 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 41.96 3dxm s PHE 35 CO -0.13 -1.09 0.11 0.00 -0.05 0.00 0.00 175.22 174.07 3dxm n ALA 36 N -0.61 0.48 -3.07 1.99 0.00 -1.26 -0.37 120.51 117.67 3dxm n ALA 36 Ca 0.03 -1.82 -0.10 0.00 0.00 0.00 0.00 53.44 51.55 3dxm n ALA 36 Cb 0.61 1.20 -0.06 0.00 0.00 0.00 0.00 19.45 21.21 3dxm n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dxm s ASP 37 N -3.20 -0.00 0.97 0.00 -1.08 -0.82 -4.89 116.67 107.65 3dxm s ASP 37 Ca 0.16 -1.02 -0.11 0.00 -0.52 0.00 0.00 52.55 51.06 3dxm s ASP 37 Cb 0.01 0.57 0.17 0.00 -1.46 0.00 0.00 42.92 42.21 3dxm s ASP 37 CO 0.11 -1.13 1.08 0.49 0.52 0.00 0.00 175.17 176.25 3dxm n PHE 38 N -0.38 0.36 -2.89 -5.34 3.01 -1.26 -3.10 117.46 107.85 3dxm n PHE 38 Ca -0.01 0.29 -0.15 0.00 1.01 0.00 0.00 57.45 58.58 3dxm n PHE 38 Cb 0.62 -1.93 0.03 0.00 -0.01 0.00 0.00 39.48 38.19 3dxm n PHE 38 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3dxm n ASP 39 N -4.25 -4.73 -1.58 4.37 8.00 -1.26 -3.36 116.55 113.75 3dxm n ASP 39 Ca 0.10 -0.24 -0.17 0.00 0.71 0.00 0.00 54.79 55.19 3dxm n ASP 39 Cb 0.52 -3.52 -0.05 0.00 -0.02 0.00 0.00 41.12 38.05 3dxm n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dxm n GLY 40 N -1.34 0.98 3.75 0.44 0.00 -1.25 -4.81 105.19 102.96 3dxm n GLY 40 Ca -0.05 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 3dxm n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxm s VAL 41 N -2.73 4.10 -0.07 1.61 1.01 -1.18 -4.72 120.40 118.42 3dxm s VAL 41 Ca 0.00 2.06 0.03 0.00 0.00 0.00 0.00 61.98 64.07 3dxm s VAL 41 Cb 0.00 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.07 3dxm s VAL 41 CO 0.00 0.50 -0.16 -0.22 0.00 0.00 0.00 175.10 175.23 3dxm s LEU 42 N -1.17 1.79 0.36 3.92 2.96 -0.95 -1.94 118.68 123.65 3dxm s LEU 42 Ca 0.41 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.03 3dxm s LEU 42 Cb -0.26 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 3dxm s LEU 42 CO 0.31 0.08 0.10 -0.31 -1.32 0.00 0.00 176.35 175.22 3dxm s TYR 43 N 0.50 2.61 -0.22 5.38 1.51 0.50 -0.29 117.35 127.34 3dxm s TYR 43 Ca -0.14 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 55.34 3dxm s TYR 43 Cb -0.16 -1.68 0.08 0.00 -0.11 0.00 0.00 41.96 40.09 3dxm s TYR 43 CO 0.05 0.35 0.52 -1.58 -1.11 0.00 0.00 175.55 173.78 3dxm s HIS 44 N -2.52 -0.86 -0.14 2.71 2.46 -0.52 -2.98 115.29 113.46 3dxm s HIS 44 Ca 0.38 1.70 0.02 0.00 0.47 0.00 0.00 55.06 57.63 3dxm s HIS 44 Cb 0.01 0.45 0.01 0.00 -0.13 0.00 0.00 32.58 32.91 3dxm s HIS 44 CO 0.21 -0.46 -0.21 0.42 -2.47 0.00 0.00 174.74 172.24 3dxm s ILE 45 N 1.82 2.20 0.33 0.89 1.01 0.00 -0.06 121.20 127.40 3dxm s ILE 45 Ca -0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 3dxm s ILE 45 Cb -0.08 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.53 3dxm s ILE 45 CO -0.16 0.54 0.67 -0.94 0.00 0.00 0.00 174.94 175.06 3dxm s SER 46 N 0.73 0.08 -0.45 3.58 1.04 -0.17 -0.98 113.70 117.54 3dxm s SER 46 Ca -0.09 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.18 3dxm s SER 46 Cb -0.16 0.75 0.08 0.00 0.10 0.00 0.00 66.02 66.79 3dxm s SER 46 CO 0.00 -1.46 0.33 0.20 0.98 0.00 0.00 173.24 173.29 3dxm s ASN 47 N -3.05 5.87 0.11 7.02 0.02 -1.23 0.03 114.94 123.70 3dxm s ASN 47 Ca 0.18 -1.47 -0.33 0.00 -1.02 0.00 0.00 52.86 50.23 3dxm s ASN 47 Cb -0.04 -2.08 -0.12 0.00 0.02 0.00 0.00 41.25 39.04 3dxm s ASN 47 CO 0.11 -0.60 1.76 -0.81 0.02 0.00 0.00 177.10 177.58 3dxm n PRO 48 N 5.05 2.52 -2.86 -0.60 -0.04 -1.26 -1.58 135.00 136.22 3dxm n PRO 48 Ca -0.11 0.91 -0.22 0.00 -0.04 0.00 0.00 63.50 64.05 3dxm n PRO 48 Cb 0.43 -2.76 0.02 0.00 -0.04 0.00 0.00 33.50 31.15 3dxm n PRO 48 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dxm n ASN 49 N 5.01 -5.78 0.00 3.54 4.13 -1.26 -2.35 115.26 118.55 3dxm n ASN 49 Ca 0.18 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.24 3dxm n ASN 49 Cb 0.33 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 33.85 3dxm n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dxm n GLY 50 N -1.33 0.28 3.56 7.41 0.00 -0.61 -4.93 105.19 109.56 3dxm n GLY 50 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3dxm n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dxm s ASP 51 N -2.21 5.97 0.00 1.61 3.68 -0.99 -4.86 116.67 119.88 3dxm s ASP 51 Ca 0.00 -0.09 0.06 0.00 2.13 0.00 0.00 52.55 54.66 3dxm s ASP 51 Cb 0.00 -2.55 0.32 0.00 -1.45 0.00 0.00 42.92 39.24 3dxm s ASP 51 CO 0.00 -1.91 1.07 0.29 0.13 0.00 0.00 175.17 174.75 3dxm n LYS 52 N 9.13 0.08 0.00 4.34 5.02 -1.26 -1.63 118.16 133.84 3dxm n LYS 52 Ca 0.09 0.24 0.13 0.00 -2.02 0.00 0.00 58.31 56.75 3dxm n LYS 52 Cb 0.50 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 34.37 3dxm n LYS 52 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dxm n THR 53 N -1.31 0.00 -4.97 -0.18 -2.24 -1.26 -4.70 114.28 99.63 3dxm n THR 53 Ca 0.03 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 3dxm n THR 53 Cb 0.05 0.74 -0.17 0.00 -2.10 0.00 0.00 70.33 68.85 3dxm n THR 53 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dxm s LYS 54 N -2.16 2.63 -0.14 -0.78 3.01 -0.65 -1.53 119.74 120.12 3dxm s LYS 54 Ca 0.31 -0.73 0.02 0.00 -1.01 0.00 0.00 55.97 54.56 3dxm s LYS 54 Cb 0.20 -2.04 0.01 0.00 -1.01 0.00 0.00 37.83 34.99 3dxm s LYS 54 CO 0.39 0.11 -0.22 0.08 0.51 0.00 0.00 175.35 176.23 3dxm s VAL 55 N 0.49 2.09 -0.08 3.17 1.01 -0.54 -4.15 120.40 122.40 3dxm s VAL 55 Ca -0.16 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.86 3dxm s VAL 55 Cb -0.17 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3dxm s VAL 55 CO 0.06 0.55 -0.11 -0.32 0.00 0.00 0.00 175.10 175.28 3dxm s MET 56 N 0.84 2.81 -0.21 2.72 1.75 0.10 -0.41 119.30 126.91 3dxm s MET 56 Ca -0.06 -0.63 0.01 0.00 -1.25 0.00 0.00 55.69 53.75 3dxm s MET 56 Cb -0.15 -2.53 0.03 0.00 2.84 0.00 0.00 34.83 35.02 3dxm s MET 56 CO -0.02 0.54 -0.15 0.08 -0.65 0.00 0.00 175.02 174.82 3dxm s VAL 57 N -0.50 2.28 0.10 10.11 1.01 -0.25 -1.00 120.40 132.15 3dxm s VAL 57 Ca 0.07 -1.09 0.10 0.00 0.00 0.00 0.00 61.98 61.06 3dxm s VAL 57 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3dxm s VAL 57 CO 0.02 0.35 -0.26 -0.44 0.00 0.00 0.00 175.10 174.77 3dxm s SER 58 N 1.26 3.16 -0.00 3.32 0.01 0.92 -0.90 113.70 121.47 3dxm s SER 58 Ca 0.01 -0.68 0.06 0.00 1.31 0.00 0.00 55.95 56.65 3dxm s SER 58 Cb -0.15 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 3dxm s SER 58 CO -0.09 0.19 -0.18 -0.51 0.41 0.00 0.00 173.24 173.06 3dxm s ILE 59 N -0.97 1.42 -0.15 1.44 2.07 -0.46 -1.43 121.20 123.11 3dxm s ILE 59 Ca 0.12 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.55 3dxm s ILE 59 Cb -0.10 -1.19 0.02 0.00 0.13 0.00 0.00 42.46 41.32 3dxm s ILE 59 CO 0.04 0.36 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.73 3dxm s SER 60 N -0.54 2.77 -0.10 4.50 0.15 0.60 -0.74 113.70 120.34 3dxm s SER 60 Ca 0.07 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.22 3dxm s SER 60 Cb -0.07 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.02 3dxm s SER 60 CO -0.00 -0.05 -0.15 -0.76 1.20 0.00 0.00 173.24 173.48 3dxm s LEU 61 N 1.45 1.70 0.61 3.45 1.02 -1.26 -2.23 118.68 123.43 3dxm s LEU 61 Ca 0.05 -0.40 0.38 0.00 0.02 0.00 0.00 54.13 54.18 3dxm s LEU 61 Cb -0.13 -1.04 2.00 0.00 0.02 0.00 0.00 46.19 47.04 3dxm s LEU 61 CO -0.11 0.02 2.23 0.11 0.02 0.00 0.00 176.35 178.63 3dxm h LYS 62 N 7.30 0.00 -0.40 1.70 1.57 -1.91 -2.59 116.57 122.24 3dxm h LYS 62 Ca -0.30 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 3dxm h LYS 62 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3dxm h LYS 62 CO 0.48 0.02 0.03 1.97 -0.57 0.00 0.00 179.45 181.38 3dxm n PHE 63 N -3.26 1.39 -0.34 -1.35 1.16 -1.26 -4.69 117.46 109.11 3dxm n PHE 63 Ca -0.02 -0.96 0.01 0.00 -1.87 0.00 0.00 57.45 54.61 3dxm n PHE 63 Cb 0.15 -0.42 0.17 0.00 -1.61 0.00 0.00 39.48 37.77 3dxm n PHE 63 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 3dxm h TYR 64 N 2.27 1.16 -1.00 2.97 3.20 -1.87 -2.16 116.97 121.56 3dxm h TYR 64 Ca 0.06 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.13 3dxm h TYR 64 Cb 1.70 -0.39 -0.10 0.00 1.54 0.00 0.00 36.73 39.48 3dxm h TYR 64 CO 0.77 0.67 0.62 0.87 -1.64 0.00 0.00 178.16 179.45 3dxm h LYS 65 N 1.20 0.77 -0.23 1.82 1.79 -1.86 0.22 116.57 120.29 3dxm h LYS 65 Ca 0.38 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.71 3dxm h LYS 65 Cb 0.02 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 3dxm h LYS 65 CO -0.12 0.51 -0.27 0.93 -1.08 0.00 0.00 179.45 179.42 3dxm h GLU 66 N 0.80 0.44 -0.00 3.15 5.08 -1.76 -2.41 114.58 119.87 3dxm h GLU 66 Ca 0.55 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.57 3dxm h GLU 66 Cb 0.82 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3dxm h GLU 66 CO -0.34 0.67 -0.82 -0.07 -1.00 0.00 0.00 179.01 177.45 3dxm h LEU 67 N 0.38 0.11 -1.08 1.33 3.38 -1.04 -3.14 115.31 115.26 3dxm h LEU 67 Ca 0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3dxm h LEU 67 Cb 0.67 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3dxm h LEU 67 CO 0.05 0.88 -0.15 -0.61 0.09 0.00 0.00 178.44 178.70 3dxm h GLN 68 N 0.05 0.47 0.00 1.13 4.15 -0.73 -1.38 115.11 118.80 3dxm h GLN 68 Ca -0.02 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3dxm h GLN 68 Cb 1.43 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.07 3dxm h GLN 68 CO 0.11 0.62 0.00 0.00 -1.93 0.00 0.00 178.83 177.63 3dxm n ALA 69 N -2.48 1.92 -1.93 3.38 0.00 -0.93 -2.90 120.51 117.55 3dxm n ALA 69 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 3dxm n ALA 69 Cb 0.34 -1.27 0.13 0.00 0.00 0.00 0.00 19.45 18.64 3dxm n ALA 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dxm n HIS 70 N -1.29 0.59 -0.56 0.00 8.25 -0.56 -4.99 115.22 116.65 3dxm n HIS 70 Ca 0.08 -1.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.06 3dxm n HIS 70 Cb 0.14 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.00 3dxm n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dxm n GLY 71 N -0.69 0.72 0.19 -1.41 0.00 -1.14 -3.64 105.19 99.22 3dxm n GLY 71 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 3dxm n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxm h ALA 72 N 0.00 -0.04 -0.57 4.61 0.00 -1.59 -2.09 119.26 119.57 3dxm h ALA 72 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3dxm h ALA 72 Cb 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3dxm h ALA 72 CO 0.00 -0.58 0.22 -0.44 0.00 0.00 0.00 179.25 178.45 3dxm h ASP 73 N -0.16 0.24 -0.16 0.00 3.32 -1.85 -0.65 116.42 117.15 3dxm h ASP 73 Ca 0.10 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3dxm h ASP 73 Cb 0.30 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3dxm h ASP 73 CO -0.24 0.15 0.05 -0.33 -1.72 0.00 0.00 179.24 177.15 3dxm h GLU 74 N 0.41 0.25 0.06 3.56 3.07 -1.89 -2.32 114.58 117.72 3dxm h GLU 74 Ca 0.28 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3dxm h GLU 74 Cb 0.32 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3dxm h GLU 74 CO -0.27 0.37 -0.03 1.25 -1.40 0.00 0.00 179.01 178.92 3dxm h LEU 75 N 0.08 -0.07 -0.90 1.33 6.46 -1.13 -2.13 115.31 118.95 3dxm h LEU 75 Ca 0.05 -0.05 0.13 0.00 -0.12 0.00 0.00 57.88 57.89 3dxm h LEU 75 Cb 0.22 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.08 3dxm h LEU 75 CO -0.00 0.01 0.52 -0.07 -0.62 0.00 0.00 178.44 178.28 3dxm h LEU 76 N -0.14 0.72 -0.73 2.25 3.38 -1.12 -0.71 115.31 118.96 3dxm h LEU 76 Ca -0.01 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3dxm h LEU 76 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dxm h LEU 76 CO 0.01 0.36 -0.09 0.50 0.09 0.00 0.00 178.44 179.31 3dxm h LYS 77 N 0.80 0.88 -0.71 1.13 1.63 -1.19 -0.17 116.57 118.93 3dxm h LYS 77 Ca 0.47 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 59.92 3dxm h LYS 77 Cb 0.54 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 3dxm h LYS 77 CO -0.30 0.93 0.26 0.00 -3.45 0.00 0.00 179.45 176.89 3dxm h ARG 78 N 0.79 1.06 0.05 1.90 3.08 -0.50 0.23 114.38 121.00 3dxm h ARG 78 Ca 0.13 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3dxm h ARG 78 Cb 0.60 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3dxm h ARG 78 CO 0.04 0.88 -0.02 0.28 -1.07 0.00 0.00 179.97 180.08 3dxm h VAL 79 N 1.03 1.22 0.00 2.04 2.07 -0.93 -3.38 116.25 118.30 3dxm h VAL 79 Ca 0.23 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3dxm h VAL 79 Cb 0.24 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3dxm h VAL 79 CO -0.02 0.37 -0.77 -1.22 0.02 0.00 0.00 177.57 175.95 3dxm n TYR 80 N -4.77 0.19 0.00 1.57 4.02 -0.10 -5.01 117.16 113.06 3dxm n TYR 80 Ca -0.08 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3dxm n TYR 80 Cb 0.32 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 3dxm n TYR 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxm n GLY 81 N 1.42 2.85 0.01 2.72 0.00 0.81 -0.92 105.19 112.09 3dxm n GLY 81 Ca 0.04 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.40 3dxm n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dxm n SER 82 N 4.14 0.08 0.20 1.61 3.41 -1.26 -2.52 113.62 119.27 3dxm n SER 82 Ca 0.00 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 3dxm n SER 82 Cb 0.00 -0.53 0.24 0.00 -0.26 0.00 0.00 64.21 63.66 3dxm n SER 82 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3dxm h TYR 83 N 0.00 0.00 -3.40 7.33 -1.99 -1.31 -3.44 116.97 114.16 3dxm h TYR 83 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 3dxm h TYR 83 Cb 0.29 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 3dxm h TYR 83 CO 0.00 0.19 0.37 -1.17 -0.00 0.00 0.00 178.16 177.54 3dxm s LEU 84 N -6.38 4.36 0.40 3.88 0.20 -1.05 0.30 118.68 120.40 3dxm s LEU 84 Ca 0.04 1.64 0.05 0.00 0.69 0.00 0.00 54.13 56.55 3dxm s LEU 84 Cb 0.07 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.26 3dxm s LEU 84 CO 0.67 -0.26 0.19 0.68 -0.29 0.00 0.00 176.35 177.34 3dxm s VAL 85 N 1.04 0.35 0.16 1.68 -7.23 -0.66 -4.93 120.40 110.80 3dxm s VAL 85 Ca 0.51 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 3dxm s VAL 85 Cb -0.21 -2.33 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 3dxm s VAL 85 CO 0.27 0.00 1.80 0.59 -0.31 0.00 0.00 175.10 177.46 3dxm n ASN 86 N -1.52 4.06 -4.72 4.85 3.02 -1.26 -4.32 115.26 115.36 3dxm n ASN 86 Ca -0.02 1.01 -0.42 0.00 -0.03 0.00 0.00 54.58 55.11 3dxm n ASN 86 Cb 0.64 -1.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.23 3dxm n ASN 86 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3dxm n PRO 87 N 5.07 2.37 -1.95 3.52 -0.04 -1.26 -4.78 135.00 137.94 3dxm n PRO 87 Ca 0.17 0.84 -0.40 0.00 -0.04 0.00 0.00 63.50 64.08 3dxm n PRO 87 Cb 0.37 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3dxm n PRO 87 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dxm s GLU 88 N -1.23 3.84 0.05 0.54 2.12 -1.26 -4.89 118.70 117.86 3dxm s GLU 88 Ca 0.60 2.27 -0.32 0.00 0.36 0.00 0.00 54.97 57.88 3dxm s GLU 88 Cb -0.55 -2.71 -0.10 0.00 0.26 0.00 0.00 34.13 31.03 3dxm s GLU 88 CO 0.56 -0.63 1.89 0.45 -0.54 0.00 0.00 175.26 176.99 3dxm n SER 89 N -0.02 3.92 0.00 -1.70 2.88 -1.26 -0.87 113.62 116.57 3dxm n SER 89 Ca 0.04 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 3dxm n SER 89 Cb 0.43 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 3dxm n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dxm n GLY 90 N 4.35 0.51 3.20 0.46 0.00 -1.26 -5.08 105.19 107.37 3dxm n GLY 90 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3dxm n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxm s TYR 91 N -2.00 1.08 -0.13 1.61 1.51 -0.05 -4.77 117.35 114.61 3dxm s TYR 91 Ca 0.00 -0.76 0.18 0.00 -1.01 0.00 0.00 57.07 55.48 3dxm s TYR 91 Cb 0.00 -0.58 -0.21 0.00 -0.11 0.00 0.00 41.96 41.05 3dxm s TYR 91 CO 0.00 -0.01 0.52 0.09 -1.11 0.00 0.00 175.55 175.03 3dxm n ASN 92 N 0.15 0.42 -3.82 2.29 4.13 0.08 -4.39 115.26 114.12 3dxm n ASN 92 Ca -0.13 0.19 -0.13 0.00 1.68 0.00 0.00 54.58 56.19 3dxm n ASN 92 Cb 0.59 0.78 -0.14 0.00 -1.54 0.00 0.00 39.78 39.47 3dxm n ASN 92 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3dxm s VAL 93 N -2.90 -0.02 -0.04 2.41 1.01 -1.12 -4.75 120.40 114.99 3dxm s VAL 93 Ca -0.06 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3dxm s VAL 93 Cb 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.38 3dxm s VAL 93 CO 0.84 0.03 -0.08 -0.44 0.00 0.00 0.00 175.10 175.45 3dxm s SER 94 N 0.44 1.20 -0.07 3.32 0.01 -1.26 -1.35 113.70 115.98 3dxm s SER 94 Ca -0.03 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.05 3dxm s SER 94 Cb -0.05 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 3dxm s SER 94 CO -0.02 0.00 -0.08 -0.76 0.41 0.00 0.00 173.24 172.80 3dxm s LEU 95 N 0.64 3.12 -0.13 2.44 1.43 -0.08 -1.65 118.68 124.46 3dxm s LEU 95 Ca -0.10 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3dxm s LEU 95 Cb -0.13 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3dxm s LEU 95 CO 0.01 0.34 -0.14 -0.22 0.23 0.00 0.00 176.35 176.57 3dxm s LEU 96 N -0.68 1.69 -0.22 1.79 2.96 0.15 -1.09 118.68 123.28 3dxm s LEU 96 Ca 0.10 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3dxm s LEU 96 Cb -0.11 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 3dxm s LEU 96 CO 0.02 -0.03 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.68 3dxm s TYR 97 N 1.29 2.98 -0.42 5.38 1.51 0.45 -4.69 117.35 123.85 3dxm s TYR 97 Ca 0.00 -0.79 -0.21 0.00 -1.01 0.00 0.00 57.07 55.07 3dxm s TYR 97 Cb -0.14 -2.11 0.02 0.00 -0.11 0.00 0.00 41.96 39.63 3dxm s TYR 97 CO -0.07 -0.46 0.67 0.34 -1.11 0.00 0.00 175.55 174.91 3dxm s ASP 98 N 1.37 6.36 0.43 2.29 -1.08 -1.26 -1.46 116.67 123.31 3dxm s ASP 98 Ca 0.04 -0.20 0.30 0.00 -0.52 0.00 0.00 52.55 52.18 3dxm s ASP 98 Cb -0.14 -2.33 1.40 0.00 -1.46 0.00 0.00 42.92 40.38 3dxm s ASP 98 CO -0.01 -0.76 1.90 -0.07 0.52 0.00 0.00 175.17 176.74 3dxm h LEU 99 N 9.71 0.00 -1.64 -1.34 3.38 -1.67 -1.36 115.31 122.39 3dxm h LEU 99 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3dxm h LEU 99 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3dxm h LEU 99 CO 0.89 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.80 3dxm n GLU 100 N -2.63 2.09 -3.03 1.13 1.02 -1.26 -4.41 120.64 113.56 3dxm n GLU 100 Ca -0.00 -1.62 -0.17 0.00 -0.02 0.00 0.00 57.16 55.35 3dxm n GLU 100 Cb 0.18 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 3dxm n GLU 100 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3dxm n ASN 101 N 0.89 -0.74 -4.91 1.62 5.15 -0.51 -5.13 115.26 111.63 3dxm n ASN 101 Ca 0.17 -3.03 -0.32 0.00 -0.60 0.00 0.00 54.58 50.79 3dxm n ASN 101 Cb 0.48 0.28 -0.05 0.00 -0.53 0.00 0.00 39.78 39.97 3dxm n ASN 101 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3dxm s LEU 102 N -1.47 4.35 0.99 1.20 1.43 -1.21 -4.63 118.68 119.34 3dxm s LEU 102 Ca 0.34 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 3dxm s LEU 102 Cb 0.24 -2.85 0.18 0.00 0.03 0.00 0.00 46.19 43.80 3dxm s LEU 102 CO -0.13 0.20 1.08 -2.16 0.23 0.00 0.00 176.35 175.57 3dxm s PRO 103 N -2.23 0.48 0.12 1.29 0.04 -1.26 -4.96 135.00 128.49 3dxm s PRO 103 Ca 0.32 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 61.93 3dxm s PRO 103 Cb -0.13 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 3dxm s PRO 103 CO 0.23 -2.75 1.70 0.00 0.04 0.00 0.00 177.00 176.21 3dxm h ALA 104 N -1.92 0.42 -2.73 8.56 0.00 -2.06 -3.32 119.26 118.20 3dxm h ALA 104 Ca -0.54 -0.10 -0.78 0.00 0.00 0.00 0.00 54.91 53.49 3dxm h ALA 104 Cb 1.31 -0.13 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 3dxm h ALA 104 CO 0.54 -0.02 0.13 0.45 0.00 0.00 0.00 179.25 180.35 3dxm s SER 105 N -5.69 6.73 0.39 0.00 0.15 -1.26 -4.87 113.70 109.16 3dxm s SER 105 Ca -0.13 -2.61 0.19 0.00 0.70 0.00 0.00 55.95 54.10 3dxm s SER 105 Cb 0.09 -2.22 0.79 0.00 -1.71 0.00 0.00 66.02 62.97 3dxm s SER 105 CO 0.73 -0.62 1.79 0.11 1.20 0.00 0.00 173.24 176.45 3dxm h LYS 106 N 7.90 0.00 -0.35 5.44 1.57 -1.97 -3.14 116.57 126.01 3dxm h LYS 106 Ca 0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3dxm h LYS 106 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3dxm h LYS 106 CO 0.79 0.34 -0.13 0.22 -0.57 0.00 0.00 179.45 180.10 3dxm h ASP 107 N 0.00 0.61 -0.78 0.86 1.82 -1.94 -2.86 116.42 114.14 3dxm h ASP 107 Ca -0.00 -0.17 -0.04 0.00 -0.39 0.00 0.00 57.03 56.42 3dxm h ASP 107 Cb 0.80 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.61 3dxm h ASP 107 CO 0.04 0.77 0.32 0.28 -1.61 0.00 0.00 179.24 179.04 3dxm h SER 108 N 0.57 1.07 0.82 2.28 0.02 -1.97 -2.19 113.55 114.14 3dxm h SER 108 Ca 0.10 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.71 3dxm h SER 108 Cb 0.55 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3dxm h SER 108 CO 0.03 0.94 -0.83 0.16 -1.14 0.00 0.00 176.83 176.00 3dxm h ILE 109 N 1.12 1.59 -0.67 3.27 3.07 -1.68 -2.90 117.51 121.32 3dxm h ILE 109 Ca 0.26 -2.82 -0.03 0.00 1.55 0.00 0.00 64.86 63.82 3dxm h ILE 109 Cb 0.20 2.52 -0.03 0.00 -0.27 0.00 0.00 36.82 39.24 3dxm h ILE 109 CO -0.02 0.81 0.29 0.58 -1.05 0.00 0.00 178.15 178.76 3dxm h VAL 110 N 0.00 1.22 -0.18 0.16 2.07 -1.27 -0.67 116.25 117.58 3dxm h VAL 110 Ca -0.01 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3dxm h VAL 110 Cb 1.46 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3dxm h VAL 110 CO 0.11 0.27 0.02 -0.74 0.02 0.00 0.00 177.57 177.25 3dxm h HIS 111 N 0.96 0.32 -0.22 1.57 -0.00 -1.26 -1.95 115.15 114.56 3dxm h HIS 111 Ca 0.23 -0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 60.45 3dxm h HIS 111 Cb 0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 3dxm h HIS 111 CO 0.01 0.47 -0.29 1.96 -0.00 0.00 0.00 177.93 180.08 3dxm h GLN 112 N 0.08 0.44 -0.36 5.26 1.08 -1.31 -2.63 115.11 117.66 3dxm h GLN 112 Ca 0.05 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 3dxm h GLN 112 Cb 0.33 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 3dxm h GLN 112 CO 0.00 0.69 -0.07 0.00 -0.95 0.00 0.00 178.83 178.51 3dxm h ALA 113 N 1.31 1.21 0.00 3.87 0.00 -1.03 -2.01 119.26 122.61 3dxm h ALA 113 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3dxm h ALA 113 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3dxm h ALA 113 CO 0.05 0.52 0.00 0.78 0.00 0.00 0.00 179.25 180.60 3dxm h GLY 114 N 0.93 0.00 -2.79 0.00 0.00 -0.98 -2.56 103.07 97.67 3dxm h GLY 114 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3dxm h GLY 114 CO 0.02 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.59 3dxm n MET 115 N -3.05 3.21 -0.31 4.80 2.00 -0.76 -1.24 117.12 121.77 3dxm n MET 115 Ca -0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 57.70 55.07 3dxm n MET 115 Cb 0.25 -1.74 0.05 0.00 0.00 0.00 0.00 33.22 31.77 3dxm n MET 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3dxm h LEU 116 N 3.94 -1.20 -0.44 4.03 6.46 -1.41 0.72 115.31 127.42 3dxm h LEU 116 Ca 0.00 0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3dxm h LEU 116 Cb 1.21 0.65 -0.02 0.00 -0.73 0.00 0.00 40.66 41.77 3dxm h LEU 116 CO 0.14 -0.29 0.25 0.50 -0.62 0.00 0.00 178.44 178.42 3dxm h LYS 117 N -0.06 0.60 -0.52 1.25 3.64 -1.87 -2.15 116.57 117.46 3dxm h LYS 117 Ca 0.33 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3dxm h LYS 117 Cb 0.59 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3dxm h LYS 117 CO -0.86 0.45 0.34 -0.09 -2.27 0.00 0.00 179.45 177.02 3dxm h ARG 118 N 0.57 0.66 0.00 1.90 1.12 -1.46 -2.25 114.38 114.93 3dxm h ARG 118 Ca 0.16 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.95 3dxm h ARG 118 Cb 0.02 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 29.82 3dxm h ARG 118 CO -0.03 0.44 -0.16 -0.91 -3.11 0.00 0.00 179.97 176.20 3dxm h ASN 119 N 0.68 0.00 0.09 -3.80 2.35 -0.67 -1.00 115.58 113.23 3dxm h ASN 119 Ca 0.20 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 3dxm h ASN 119 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3dxm h ASN 119 CO -0.06 0.16 -0.51 0.00 -1.65 0.00 0.00 177.43 175.37 3dxm h PHE 121 N 0.37 0.75 -0.96 0.00 -1.00 -1.15 -3.38 116.94 111.56 3dxm h PHE 121 Ca 0.01 -0.47 0.17 0.00 2.81 0.00 0.00 57.97 60.50 3dxm h PHE 121 Cb 1.03 -0.06 -0.17 0.00 3.61 0.00 0.00 35.95 40.36 3dxm h PHE 121 CO 0.04 1.32 -0.30 0.00 -1.61 0.00 0.00 178.31 177.75 3dxm n ALA 122 N -2.60 0.07 -0.25 2.45 0.00 -0.44 -2.53 120.51 117.22 3dxm n ALA 122 Ca -0.10 1.01 0.05 0.00 0.00 0.00 0.00 53.44 54.40 3dxm n ALA 122 Cb 0.94 -0.54 0.16 0.00 0.00 0.00 0.00 19.45 20.02 3dxm n ALA 122 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dxm h SER 123 N 0.00 -0.20 -0.89 0.00 4.64 -1.75 -1.23 113.55 114.12 3dxm h SER 123 Ca 0.40 0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.93 3dxm h SER 123 Cb 0.64 0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 3dxm h SER 123 CO -0.97 -0.12 0.58 1.62 -0.87 0.00 0.00 176.83 177.07 3dxm h VAL 124 N 0.16 1.15 -0.02 0.95 3.04 -1.56 0.56 116.25 120.53 3dxm h VAL 124 Ca 0.40 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 65.69 3dxm h VAL 124 Cb 0.70 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 3dxm h VAL 124 CO -0.59 0.20 -0.08 -0.26 -1.01 0.00 0.00 177.57 175.84 3dxm h PHE 125 N 1.11 0.12 -0.71 3.17 -1.00 -1.41 -2.97 116.94 115.26 3dxm h PHE 125 Ca 0.35 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 61.18 3dxm h PHE 125 Cb 0.01 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 3dxm h PHE 125 CO -0.00 0.70 0.47 0.93 -1.61 0.00 0.00 178.31 178.80 3dxm h GLU 126 N -0.50 0.57 0.19 1.51 5.08 -0.97 0.10 114.58 120.57 3dxm h GLU 126 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3dxm h GLU 126 Cb 0.71 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3dxm h GLU 126 CO 0.02 0.38 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.09 3dxm h LYS 127 N 0.59 -0.25 0.00 2.33 3.64 -0.86 -1.35 116.57 120.66 3dxm h LYS 127 Ca 0.32 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3dxm h LYS 127 Cb 0.49 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3dxm h LYS 127 CO -0.11 -0.09 -0.16 1.88 -2.27 0.00 0.00 179.45 178.70 3dxm h TYR 128 N -0.35 0.00 -0.19 1.91 -1.99 -1.27 -1.97 116.97 113.11 3dxm h TYR 128 Ca -0.03 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.53 3dxm h TYR 128 Cb 0.27 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 3dxm h TYR 128 CO -0.04 0.16 -0.58 0.74 -0.00 0.00 0.00 178.16 178.44 3dxm h PHE 129 N 0.00 0.79 -0.46 4.88 -1.00 -0.73 -2.44 116.94 117.97 3dxm h PHE 129 Ca -0.00 -0.29 -0.07 0.00 2.81 0.00 0.00 57.97 60.41 3dxm h PHE 129 Cb 0.95 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.35 3dxm h PHE 129 CO 0.00 1.05 0.01 0.37 -1.61 0.00 0.00 178.31 178.13 3dxm h GLN 130 N 0.47 0.81 -0.40 1.51 5.75 -1.00 -2.21 115.11 120.04 3dxm h GLN 130 Ca 0.00 -0.25 0.07 0.00 -0.15 0.00 0.00 58.65 58.32 3dxm h GLN 130 Cb 1.15 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 3dxm h GLN 130 CO 0.11 0.86 0.02 0.74 -2.65 0.00 0.00 178.83 177.92 3dxm h PHE 131 N 0.66 0.02 -0.16 3.99 0.05 -1.19 -0.86 116.94 119.45 3dxm h PHE 131 Ca 0.13 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.97 3dxm h PHE 131 Cb 0.49 0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.47 3dxm h PHE 131 CO 0.04 -0.05 0.03 0.37 -0.18 0.00 0.00 178.31 178.52 3dxm h GLN 132 N 0.13 0.10 0.00 1.51 -0.00 -1.24 -0.71 115.11 114.90 3dxm h GLN 132 Ca 0.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 3dxm h GLN 132 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.72 3dxm h GLN 132 CO -0.31 0.07 -0.10 1.49 0.00 0.00 0.00 178.83 179.98 3dxm h GLU 133 N 0.10 0.00 -0.01 1.69 4.81 -0.84 -2.35 114.58 117.98 3dxm h GLU 133 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3dxm h GLU 133 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3dxm h GLU 133 CO -0.10 0.10 -0.54 0.39 -0.73 0.00 0.00 179.01 178.14 3dxm n GLU 134 N -3.76 0.77 -1.08 1.92 1.02 -0.38 -4.97 120.64 114.17 3dxm n GLU 134 Ca -0.02 -0.59 -0.03 0.00 -0.02 0.00 0.00 57.16 56.50 3dxm n GLU 134 Cb 0.20 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3dxm n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxm n GLY 135 N 1.43 0.59 3.56 0.62 0.00 -0.35 -4.96 105.19 106.07 3dxm n GLY 135 Ca 0.08 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3dxm n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxm s LYS 136 N -1.58 3.51 0.68 1.61 1.02 -0.76 -4.98 119.74 119.24 3dxm s LYS 136 Ca 0.00 -0.96 -0.05 0.00 0.02 0.00 0.00 55.97 54.98 3dxm s LYS 136 Cb 0.00 -5.12 0.06 0.00 -0.52 0.00 0.00 37.83 32.25 3dxm s LYS 136 CO 0.00 -2.19 0.97 -1.21 -0.92 0.00 0.00 175.35 172.00 3dxm s GLU 137 N 5.09 2.18 0.00 1.68 2.02 -1.26 -4.40 118.70 124.00 3dxm s GLU 137 Ca 0.44 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.98 3dxm s GLU 137 Cb -0.02 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3dxm s GLU 137 CO -0.05 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.46 3dxm n GLY 138 N -2.82 0.68 3.77 -1.39 0.00 -1.26 -5.00 105.19 99.17 3dxm n GLY 138 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dxm n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxm s GLU 139 N -0.31 4.39 0.40 1.61 0.41 -1.26 -4.95 118.70 119.00 3dxm s GLU 139 Ca 0.00 2.16 -0.26 0.00 -0.41 0.00 0.00 54.97 56.46 3dxm s GLU 139 Cb 0.00 -3.09 -0.10 0.00 -1.78 0.00 0.00 34.13 29.16 3dxm s GLU 139 CO 0.00 -0.14 1.34 0.09 -0.49 0.00 0.00 175.26 176.06 3dxm n ASN 140 N 0.90 2.93 -4.79 -0.19 5.03 -1.26 -4.81 115.26 113.08 3dxm n ASN 140 Ca 0.00 1.15 -0.36 0.00 0.87 0.00 0.00 54.58 56.24 3dxm n ASN 140 Cb 0.42 -1.53 -0.04 0.00 -1.02 0.00 0.00 39.78 37.60 3dxm n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dxm s ARG 141 N -2.17 4.20 0.18 3.52 1.70 -1.26 -4.97 118.95 120.15 3dxm s ARG 141 Ca 0.59 1.46 -0.29 0.00 -0.47 0.00 0.00 55.73 57.01 3dxm s ARG 141 Cb -0.50 -2.53 -0.08 0.00 -0.57 0.00 0.00 34.95 31.27 3dxm s ARG 141 CO 0.60 -0.10 0.91 0.00 -1.08 0.00 0.00 175.30 175.64 3dxm s ALA 142 N -1.70 3.33 -0.28 7.88 0.00 0.06 -4.90 121.76 126.15 3dxm s ALA 142 Ca 0.58 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.11 3dxm s ALA 142 Cb -0.20 -3.18 0.08 0.00 0.00 0.00 0.00 23.12 19.81 3dxm s ALA 142 CO 0.26 0.14 -0.01 0.08 0.00 0.00 0.00 175.76 176.23 3dxm s VAL 143 N -0.76 1.72 -0.28 0.00 1.01 -1.26 -1.52 120.40 119.31 3dxm s VAL 143 Ca 0.42 -1.62 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 3dxm s VAL 143 Cb -0.24 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3dxm s VAL 143 CO 0.30 -0.32 0.02 -0.63 0.00 0.00 0.00 175.10 174.48 3dxm s ILE 144 N 1.25 3.52 -1.23 2.22 -1.09 -0.22 -4.97 121.20 120.68 3dxm s ILE 144 Ca 0.01 -0.85 -0.13 0.00 -2.23 0.00 0.00 60.65 57.45 3dxm s ILE 144 Cb -0.19 -2.82 0.17 0.00 -1.58 0.00 0.00 42.46 38.04 3dxm s ILE 144 CO -0.09 0.11 1.53 1.41 -1.23 0.00 0.00 174.94 176.67 3dxm n HIS 145 N 4.78 4.60 0.29 3.97 8.25 -1.26 -0.42 115.22 135.43 3dxm n HIS 145 Ca -0.15 -3.24 0.16 0.00 -0.26 0.00 0.00 57.72 54.22 3dxm n HIS 145 Cb 0.47 -2.16 0.73 0.00 1.12 0.00 0.00 29.99 30.16 3dxm n HIS 145 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 3dxm h TYR 146 N 6.89 0.00 -3.97 4.41 -0.00 -1.92 -3.43 116.97 118.95 3dxm h TYR 146 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.88 3dxm h TYR 146 Cb 0.83 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 37.40 3dxm h TYR 146 CO 1.14 0.00 -0.69 1.03 -0.00 0.00 0.00 178.16 179.63 3dxm s ARG 147 N -3.65 0.73 0.33 0.10 0.52 -1.17 -4.73 118.95 111.07 3dxm s ARG 147 Ca -0.00 -1.24 0.10 0.00 -0.52 0.00 0.00 55.73 54.06 3dxm s ARG 147 Cb 0.09 -0.06 0.87 0.00 0.52 0.00 0.00 34.95 36.37 3dxm s ARG 147 CO 0.38 -0.05 1.75 -0.44 0.02 0.00 0.00 175.30 176.97 3dxm h ASP 148 N 3.17 0.68 0.00 0.23 3.45 -1.96 -2.69 116.42 119.30 3dxm h ASP 148 Ca -0.35 0.11 -0.06 0.00 0.43 0.00 0.00 57.03 57.17 3dxm h ASP 148 Cb 1.16 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.81 3dxm h ASP 148 CO 0.63 0.16 -0.65 -0.90 -1.57 0.00 0.00 179.24 176.91 3dxm n ASP 149 N -4.81 1.48 -3.98 6.45 5.75 -1.26 -5.03 116.55 115.16 3dxm n ASP 149 Ca 0.25 -3.24 -0.16 0.00 -0.01 0.00 0.00 54.79 51.64 3dxm n ASP 149 Cb 0.71 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 40.21 3dxm n ASP 149 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3dxm s GLU 150 N -2.14 0.46 0.06 0.11 2.02 -1.02 -4.68 118.70 113.52 3dxm s GLU 150 Ca 0.36 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 55.13 3dxm s GLU 150 Cb 0.37 -0.42 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 3dxm s GLU 150 CO -0.10 0.11 -0.13 0.99 0.02 0.00 0.00 175.26 176.16 3dxm s THR 151 N -0.28 0.98 -0.08 3.63 2.01 -1.04 -3.03 115.64 117.83 3dxm s THR 151 Ca 0.01 -1.25 0.04 0.00 0.31 0.00 0.00 61.69 60.79 3dxm s THR 151 Cb -0.03 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3dxm s THR 151 CO -0.00 -0.26 -0.21 -0.32 -0.69 0.00 0.00 174.62 173.14 3dxm s MET 152 N -1.71 2.50 -0.12 4.92 1.75 0.44 -0.19 119.30 126.90 3dxm s MET 152 Ca -0.04 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 3dxm s MET 152 Cb -0.10 -1.98 -0.01 0.00 2.84 0.00 0.00 34.83 35.58 3dxm s MET 152 CO 0.02 0.18 -0.17 0.71 -0.65 0.00 0.00 175.02 175.11 3dxm s TYR 153 N 0.30 2.72 -0.12 4.11 1.51 0.10 -1.06 117.35 124.91 3dxm s TYR 153 Ca -0.14 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.15 3dxm s TYR 153 Cb -0.16 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 3dxm s TYR 153 CO 0.06 -0.29 -0.22 0.08 -1.11 0.00 0.00 175.55 174.07 3dxm s VAL 154 N 0.36 2.18 -0.04 0.71 1.01 -0.58 -0.31 120.40 123.73 3dxm s VAL 154 Ca -0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 3dxm s VAL 154 Cb -0.17 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3dxm s VAL 154 CO 0.07 0.55 0.09 -0.70 0.00 0.00 0.00 175.10 175.11 3dxm s GLU 155 N 0.58 0.07 -0.16 2.72 2.12 -0.67 -0.76 118.70 122.59 3dxm s GLU 155 Ca -0.12 0.22 -0.07 0.00 0.36 0.00 0.00 54.97 55.35 3dxm s GLU 155 Cb -0.17 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.09 3dxm s GLU 155 CO 0.03 -0.10 0.08 0.45 -0.54 0.00 0.00 175.26 175.19 3dxm s SER 156 N 0.65 5.81 0.48 -1.70 0.15 -1.26 -0.61 113.70 117.22 3dxm s SER 156 Ca -0.05 0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.81 3dxm s SER 156 Cb -0.07 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 3dxm s SER 156 CO -0.03 0.24 0.01 -0.54 1.20 0.00 0.00 173.24 174.12 3dxm s LYS 157 N -0.01 2.11 0.13 5.44 1.02 0.94 -4.59 119.74 124.79 3dxm s LYS 157 Ca 0.07 -2.31 -0.31 0.00 0.02 0.00 0.00 55.97 53.45 3dxm s LYS 157 Cb -0.12 -1.54 -0.07 0.00 -0.52 0.00 0.00 37.83 35.58 3dxm s LYS 157 CO 0.01 -0.27 1.57 -0.22 -0.92 0.00 0.00 175.35 175.52 3dxm h LYS 158 N 1.49 -0.44 -0.38 1.68 1.63 -1.94 -3.15 116.57 115.45 3dxm h LYS 158 Ca -0.44 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3dxm h LYS 158 Cb 1.29 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 3dxm h LYS 158 CO 0.76 -0.29 0.00 -0.25 -3.45 0.00 0.00 179.45 176.22 3dxm n ASP 159 N -5.42 3.56 -3.48 4.20 8.00 -1.26 -4.92 116.55 117.23 3dxm n ASP 159 Ca -0.04 -2.39 -0.09 0.00 0.71 0.00 0.00 54.79 52.98 3dxm n ASP 159 Cb 0.36 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3dxm n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxm s ARG 160 N -1.71 0.95 -0.12 -1.24 1.70 -1.19 -4.54 118.95 112.80 3dxm s ARG 160 Ca 0.34 -0.35 0.02 0.00 -0.47 0.00 0.00 55.73 55.28 3dxm s ARG 160 Cb 0.23 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 35.05 3dxm s ARG 160 CO 0.16 -0.42 -0.20 0.08 -1.08 0.00 0.00 175.30 173.84 3dxm s VAL 161 N -3.29 2.36 -0.10 4.99 1.01 -0.23 -0.04 120.40 125.11 3dxm s VAL 161 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3dxm s VAL 161 Cb -0.01 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3dxm s VAL 161 CO -0.10 0.54 -0.03 0.42 0.00 0.00 0.00 175.10 175.94 3dxm s THR 162 N 0.50 4.06 -0.20 3.92 -4.23 0.22 -0.31 115.64 119.60 3dxm s THR 162 Ca -0.13 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 3dxm s THR 162 Cb -0.17 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.00 3dxm s THR 162 CO 0.05 0.58 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.91 3dxm s VAL 163 N -0.56 1.66 -0.13 2.29 1.01 -0.60 -1.67 120.40 122.41 3dxm s VAL 163 Ca 0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3dxm s VAL 163 Cb -0.12 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3dxm s VAL 163 CO 0.02 0.20 -0.06 -0.69 0.00 0.00 0.00 175.10 174.58 3dxm s VAL 164 N 1.39 3.76 -0.16 2.92 1.01 0.58 -0.85 120.40 129.06 3dxm s VAL 164 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3dxm s VAL 164 Cb -0.16 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3dxm s VAL 164 CO -0.08 0.53 -0.11 -0.36 0.00 0.00 0.00 175.10 175.07 3dxm s PHE 165 N 0.03 2.86 -0.58 5.22 0.40 0.60 0.00 117.98 126.51 3dxm s PHE 165 Ca -0.01 -0.79 -0.10 0.00 -0.60 0.00 0.00 56.93 55.43 3dxm s PHE 165 Cb -0.14 -1.92 0.15 0.00 0.51 0.00 0.00 43.02 41.62 3dxm s PHE 165 CO 0.03 -0.34 0.47 0.45 0.70 0.00 0.00 175.22 176.53 3dxm s SER 166 N 0.73 5.92 0.21 1.36 0.15 0.74 -1.11 113.70 121.70 3dxm s SER 166 Ca -0.05 -2.22 0.06 0.00 0.70 0.00 0.00 55.95 54.44 3dxm s SER 166 Cb -0.15 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 3dxm s SER 166 CO 0.02 -0.64 0.17 0.28 1.20 0.00 0.00 173.24 174.27 3dxm s THR 167 N 0.90 4.47 -0.06 6.45 -1.32 -0.17 -2.50 115.64 123.41 3dxm s THR 167 Ca 0.10 -1.26 0.05 0.00 -1.21 0.00 0.00 61.69 59.37 3dxm s THR 167 Cb -0.22 -3.36 -0.01 0.00 -1.51 0.00 0.00 72.50 67.40 3dxm s THR 167 CO -0.02 -0.24 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.23 3dxm s VAL 168 N -1.96 2.28 -0.62 5.08 1.01 -1.26 -0.68 120.40 124.25 3dxm s VAL 168 Ca 0.32 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3dxm s VAL 168 Cb -0.09 -1.85 0.16 0.00 0.00 0.00 0.00 36.38 34.60 3dxm s VAL 168 CO 0.24 0.57 0.46 -0.36 0.00 0.00 0.00 175.10 176.02 3dxm s PHE 169 N -0.18 3.49 0.36 5.22 0.40 0.18 -4.95 117.98 122.51 3dxm s PHE 169 Ca -0.03 -2.42 0.09 0.00 -0.60 0.00 0.00 56.93 53.98 3dxm s PHE 169 Cb -0.14 -3.37 0.83 0.00 0.51 0.00 0.00 43.02 40.85 3dxm s PHE 169 CO 0.04 -0.91 1.88 0.87 0.70 0.00 0.00 175.22 177.80 3dxm h LYS 170 N 7.49 0.66 -5.60 0.44 1.79 -1.98 -3.38 116.57 115.99 3dxm h LYS 170 Ca -0.04 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.77 3dxm h LYS 170 Cb 1.00 -0.15 -0.12 0.00 -1.58 0.00 0.00 32.23 31.37 3dxm h LYS 170 CO 0.74 0.44 0.24 0.34 -1.08 0.00 0.00 179.45 180.13 3dxm s ASP 171 N -5.82 6.49 0.27 0.86 3.68 -1.26 -4.96 116.67 115.92 3dxm s ASP 171 Ca -0.10 0.26 -0.06 0.00 2.13 0.00 0.00 52.55 54.78 3dxm s ASP 171 Cb 0.22 -2.35 0.49 0.00 -1.45 0.00 0.00 42.92 39.82 3dxm s ASP 171 CO 0.79 -0.64 1.60 0.44 0.13 0.00 0.00 175.17 177.49 3dxm h ASP 172 N 8.43 -0.60 0.89 -0.34 5.19 -2.00 0.29 116.42 128.27 3dxm h ASP 172 Ca -0.26 0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3dxm h ASP 172 Cb 1.10 0.47 0.00 0.00 0.18 0.00 0.00 39.33 41.09 3dxm h ASP 172 CO 0.86 -0.27 0.00 0.44 -3.12 0.00 0.00 179.24 177.15 3dxm h ASP 173 N 0.03 0.00 0.64 6.45 5.19 -1.93 -2.42 116.42 124.39 3dxm h ASP 173 Ca 0.46 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.83 3dxm h ASP 173 Cb 0.81 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 3dxm h ASP 173 CO -0.84 0.00 -0.22 0.44 -3.12 0.00 0.00 179.24 175.50 3dxm h ASP 174 N 0.00 0.00 -0.37 6.45 5.19 -0.78 -2.54 116.42 124.37 3dxm h ASP 174 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 3dxm h ASP 174 Cb 0.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 3dxm h ASP 174 CO 0.00 0.22 0.04 0.58 -3.12 0.00 0.00 179.24 176.96 3dxm h VAL 175 N 0.00 1.25 -0.30 -1.35 2.07 -1.41 0.13 116.25 116.64 3dxm h VAL 175 Ca -0.00 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3dxm h VAL 175 Cb 0.60 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3dxm h VAL 175 CO 0.03 0.30 0.16 0.58 0.02 0.00 0.00 177.57 178.66 3dxm h VAL 176 N 0.46 1.13 -0.52 2.57 2.07 -1.57 -1.06 116.25 119.34 3dxm h VAL 176 Ca 0.11 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3dxm h VAL 176 Cb 0.39 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3dxm h VAL 176 CO 0.01 0.14 0.05 0.40 0.02 0.00 0.00 177.57 178.19 3dxm h ILE 177 N 0.36 1.26 -0.74 4.57 2.04 -1.40 -2.84 117.51 120.76 3dxm h ILE 177 Ca 0.10 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3dxm h ILE 177 Cb 0.07 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3dxm h ILE 177 CO -0.02 0.36 0.49 1.23 0.00 0.00 0.00 178.15 180.21 3dxm h GLY 178 N 0.76 1.03 1.76 5.37 0.00 -0.45 -1.71 103.07 109.82 3dxm h GLY 178 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3dxm h GLY 178 CO 0.02 0.31 0.03 0.50 0.00 0.00 0.00 176.54 177.39 3dxm h LYS 179 N 0.90 0.31 -0.44 4.80 1.57 -0.95 -0.05 116.57 122.72 3dxm h LYS 179 Ca 0.30 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 3dxm h LYS 179 Cb 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3dxm h LYS 179 CO -0.08 0.32 -0.03 0.28 -0.57 0.00 0.00 179.45 179.37 3dxm h VAL 180 N 0.31 1.27 -0.41 0.50 2.07 -1.28 -1.65 116.25 117.06 3dxm h VAL 180 Ca 0.08 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.37 3dxm h VAL 180 Cb 0.17 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3dxm h VAL 180 CO 0.00 0.37 -0.29 -0.26 0.02 0.00 0.00 177.57 177.41 3dxm h PHE 181 N 0.63 1.08 -0.28 1.57 -1.00 -1.24 -3.07 116.94 114.63 3dxm h PHE 181 Ca 0.12 -0.30 -0.07 0.00 2.81 0.00 0.00 57.97 60.53 3dxm h PHE 181 Cb 0.53 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 3dxm h PHE 181 CO 0.04 1.11 -0.14 0.52 -1.61 0.00 0.00 178.31 178.23 3dxm h MET 182 N 0.75 0.48 -0.63 1.51 2.86 -0.93 -2.35 114.93 116.62 3dxm h MET 182 Ca 0.08 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3dxm h MET 182 Cb 0.87 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3dxm h MET 182 CO 0.08 0.61 0.14 0.37 1.06 0.00 0.00 176.91 179.17 3dxm h GLN 183 N 0.45 0.99 0.00 1.72 5.75 -1.26 -0.25 115.11 122.51 3dxm h GLN 183 Ca 0.08 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 3dxm h GLN 183 Cb 0.50 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3dxm h GLN 183 CO 0.03 0.89 -0.30 0.93 -2.65 0.00 0.00 178.83 177.73 3dxm h GLU 184 N 0.95 0.00 -0.03 1.69 4.39 -1.38 -1.94 114.58 118.26 3dxm h GLU 184 Ca 0.20 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.66 3dxm h GLU 184 Cb 0.35 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3dxm h GLU 184 CO 0.00 0.30 -0.95 0.74 -1.16 0.00 0.00 179.01 177.94 3dxm h PHE 185 N 0.00 0.87 0.00 4.33 -1.00 -0.86 -2.18 116.94 118.10 3dxm h PHE 185 Ca -0.00 -0.46 -0.05 0.00 2.81 0.00 0.00 57.97 60.28 3dxm h PHE 185 Cb 0.73 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 3dxm h PHE 185 CO 0.00 1.28 -0.22 -0.22 -1.61 0.00 0.00 178.31 177.54 3dxm h LYS 186 N 0.35 0.00 -0.64 1.51 3.64 -0.60 -1.87 116.57 118.97 3dxm h LYS 186 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3dxm h LYS 186 Cb 1.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 3dxm h LYS 186 CO 0.18 0.22 0.00 0.39 -2.27 0.00 0.00 179.45 177.97 3dxm n GLU 187 N -4.24 2.66 -0.05 1.90 1.02 -0.77 -4.63 120.64 116.53 3dxm n GLU 187 Ca -0.02 -2.55 0.20 0.00 -0.02 0.00 0.00 57.16 54.76 3dxm n GLU 187 Cb 0.28 -1.56 0.65 0.00 -0.02 0.00 0.00 31.44 30.79 3dxm n GLU 187 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3dxm h GLY 188 N 4.43 0.15 2.00 0.62 0.00 -0.66 -2.06 103.07 107.55 3dxm h GLY 188 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3dxm h GLY 188 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 176.54 177.09 3dxm n ARG 189 N -4.39 0.02 0.00 4.80 1.74 -1.26 -1.48 116.66 116.09 3dxm n ARG 189 Ca 0.11 0.38 0.12 0.00 -0.77 0.00 0.00 57.85 57.69 3dxm n ARG 189 Cb 0.61 -1.54 0.60 0.00 -1.02 0.00 0.00 32.46 31.11 3dxm n ARG 189 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dxm n ARG 190 N -1.58 0.32 0.00 5.56 5.12 -0.78 -2.80 116.66 122.51 3dxm n ARG 190 Ca 0.02 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3dxm n ARG 190 Cb 0.10 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 3dxm n ARG 190 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dxm n ALA 191 N -1.30 1.82 -3.42 7.54 0.00 -0.55 -4.92 120.51 119.68 3dxm n ALA 191 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 3dxm n ALA 191 Cb 0.20 0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 3dxm n ALA 191 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dxm s SER 192 N -2.44 2.31 0.45 0.00 0.01 -1.04 -5.01 113.70 107.98 3dxm s SER 192 Ca 0.00 -1.97 0.31 0.00 1.31 0.00 0.00 55.95 55.60 3dxm s SER 192 Cb 0.00 -0.05 1.57 0.00 0.21 0.00 0.00 66.02 67.75 3dxm s SER 192 CO 0.00 -0.29 1.93 1.12 0.41 0.00 0.00 173.24 176.41 3dxm h HIS 193 N 7.03 0.00 -0.00 2.43 -0.00 -1.81 -2.08 115.15 120.72 3dxm h HIS 193 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3dxm h HIS 193 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3dxm h HIS 193 CO 0.40 0.00 -0.81 0.25 -0.00 0.00 0.00 177.93 177.77 3dxm n THR 194 N -2.61 0.00 -1.13 6.12 -2.24 -1.26 -4.98 114.28 108.19 3dxm n THR 194 Ca -0.01 -0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 3dxm n THR 194 Cb 0.11 0.85 0.11 0.00 -2.10 0.00 0.00 70.33 69.30 3dxm n THR 194 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxm s ALA 195 N -2.92 2.05 0.62 6.98 0.00 -0.78 -4.97 121.76 122.74 3dxm s ALA 195 Ca 0.10 0.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 3dxm s ALA 195 Cb 0.17 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 3dxm s ALA 195 CO 0.79 -2.02 1.24 -2.30 0.00 0.00 0.00 175.76 173.47 3dxm n PRO 196 N -3.70 1.17 -3.03 0.00 -0.02 -1.26 -4.94 135.00 123.22 3dxm n PRO 196 Ca 0.10 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 3dxm n PRO 196 Cb 0.53 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 3dxm n PRO 196 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3dxm s GLN 197 N -3.17 4.45 -0.06 -0.52 0.74 -1.14 -4.84 119.66 115.12 3dxm s GLN 197 Ca 0.80 1.05 0.05 0.00 0.05 0.00 0.00 55.36 57.30 3dxm s GLN 197 Cb -0.39 -3.12 -0.00 0.00 1.10 0.00 0.00 33.01 30.59 3dxm s GLN 197 CO 0.43 0.51 -0.20 0.08 -0.55 0.00 0.00 175.29 175.56 3dxm s VAL 198 N -1.28 1.70 0.21 1.34 1.01 -1.26 -0.84 120.40 121.29 3dxm s VAL 198 Ca 0.38 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.61 3dxm s VAL 198 Cb -0.21 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3dxm s VAL 198 CO 0.24 0.48 -0.22 -0.76 0.00 0.00 0.00 175.10 174.84 3dxm s LEU 199 N 0.05 2.48 -0.05 3.92 1.02 0.02 -4.28 118.68 121.84 3dxm s LEU 199 Ca -0.06 -0.92 -0.02 0.00 0.02 0.00 0.00 54.13 53.15 3dxm s LEU 199 Cb -0.13 -1.07 0.03 0.00 0.02 0.00 0.00 46.19 45.04 3dxm s LEU 199 CO 0.04 0.06 0.11 0.12 0.02 0.00 0.00 176.35 176.69 3dxm s PHE 200 N -2.01 -0.10 -0.09 0.29 5.36 -1.26 -0.79 117.98 119.37 3dxm s PHE 200 Ca 0.22 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.54 3dxm s PHE 200 Cb -0.06 -0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.55 3dxm s PHE 200 CO 0.10 -0.12 -0.09 0.45 -1.46 0.00 0.00 175.22 174.11 3dxm s SER 201 N 0.86 1.95 -0.17 6.13 0.15 0.25 -4.99 113.70 117.89 3dxm s SER 201 Ca -0.07 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.15 3dxm s SER 201 Cb -0.09 -0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 3dxm s SER 201 CO -0.04 -0.06 0.32 -2.28 1.20 0.00 0.00 173.24 172.38 3dxm s HIS 202 N 1.29 3.44 0.00 3.44 2.46 -1.26 0.16 115.29 124.82 3dxm s HIS 202 Ca -0.03 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.10 3dxm s HIS 202 Cb -0.14 -2.39 0.00 0.00 -0.13 0.00 0.00 32.58 29.93 3dxm s HIS 202 CO -0.03 0.18 0.00 -2.13 -2.47 0.00 0.00 174.74 170.29 3dxm n ARG 203 N 3.76 -0.23 -3.72 2.88 0.63 -0.31 -4.95 116.66 114.72 3dxm n ARG 203 Ca -0.11 0.06 -0.12 0.00 -0.92 0.00 0.00 57.85 56.76 3dxm n ARG 203 Cb 0.52 -3.76 -0.11 0.00 0.45 0.00 0.00 32.46 29.55 3dxm n ARG 203 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3dxm s GLU 204 N -0.70 0.39 0.74 -0.14 2.02 -1.26 -3.53 118.70 116.22 3dxm s GLU 204 Ca 0.00 0.63 -0.11 0.00 0.02 0.00 0.00 54.97 55.51 3dxm s GLU 204 Cb 0.00 0.07 0.04 0.00 0.10 0.00 0.00 34.13 34.34 3dxm s GLU 204 CO 0.00 -0.11 1.08 -1.25 0.02 0.00 0.00 175.26 175.00 3dxm s PRO 205 N 0.83 2.53 0.58 0.39 0.04 -1.26 -4.70 135.00 133.41 3dxm s PRO 205 Ca -0.05 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.79 3dxm s PRO 205 Cb -0.06 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3dxm s PRO 205 CO -0.06 -1.40 1.35 -2.14 0.04 0.00 0.00 177.00 174.78 3dxm s PRO 206 N -4.99 2.95 0.36 0.56 0.02 -1.26 -4.75 135.00 127.89 3dxm s PRO 206 Ca 0.60 2.20 0.16 0.00 0.02 0.00 0.00 61.00 63.98 3dxm s PRO 206 Cb -0.15 -2.13 1.05 0.00 0.02 0.00 0.00 34.50 33.29 3dxm s PRO 206 CO 0.55 -1.33 1.72 -0.07 -0.33 0.00 0.00 177.00 177.55 3dxm h LEU 207 N 1.18 0.52 -2.01 -5.54 3.38 -2.01 0.16 115.31 110.99 3dxm h LEU 207 Ca -0.51 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3dxm h LEU 207 Cb 1.31 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3dxm h LEU 207 CO 0.56 0.03 0.21 -0.33 0.09 0.00 0.00 178.44 179.00 3dxm h GLU 208 N 0.42 0.00 -0.25 1.13 3.07 -2.04 0.22 114.58 117.13 3dxm h GLU 208 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 3dxm h GLU 208 Cb 1.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 3dxm h GLU 208 CO -0.43 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.46 3dxm n LEU 209 N -2.74 2.62 -1.52 1.33 4.77 0.55 -4.80 117.00 117.22 3dxm n LEU 209 Ca -0.02 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 3dxm n LEU 209 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3dxm n LEU 209 CO 0.13 0.63 0.27 1.17 -1.33 0.00 0.00 177.39 178.26 3dxm n LYS 210 N 0.50 0.34 0.00 3.23 4.81 0.06 -4.32 118.16 122.79 3dxm n LYS 210 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 3dxm n LYS 210 Cb 0.38 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.10 3dxm n LYS 210 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3dxm n THR 212 N 1.45 0.00 -0.61 3.15 -2.24 -1.26 -4.92 114.28 109.86 3dxm n THR 212 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3dxm n THR 212 Cb 0.17 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.51 3dxm n THR 212 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dxm n ASP 213 N -1.21 4.14 -4.76 3.42 5.75 -1.26 -4.97 116.55 117.66 3dxm n ASP 213 Ca 0.00 -3.13 -0.41 0.00 -0.01 0.00 0.00 54.79 51.24 3dxm n ASP 213 Cb 0.00 -0.78 0.01 0.00 -1.03 0.00 0.00 41.12 39.31 3dxm n ASP 213 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dxm n ALA 214 N -0.52 2.07 -1.77 2.12 0.00 -1.26 -4.93 120.51 116.22 3dxm n ALA 214 Ca 0.41 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.77 3dxm n ALA 214 Cb 1.17 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3dxm n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxm s ALA 215 N -1.15 3.01 -0.02 0.00 0.00 -1.26 -4.97 121.76 117.37 3dxm s ALA 215 Ca 0.57 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.63 3dxm s ALA 215 Cb -0.48 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.21 3dxm s ALA 215 CO 0.61 -0.84 -0.07 0.08 0.00 0.00 0.00 175.76 175.55 3dxm s VAL 216 N -1.42 0.59 0.00 0.00 1.01 -1.26 -4.49 120.40 114.82 3dxm s VAL 216 Ca 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3dxm s VAL 216 Cb -0.33 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3dxm s VAL 216 CO 0.41 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3dxm n GLY 217 N 3.39 1.51 0.29 4.51 0.00 -1.23 -4.98 105.19 108.68 3dxm n GLY 217 Ca -0.19 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.18 3dxm n GLY 217 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dxm h ASP 218 N 0.00 0.00 -0.51 1.61 3.32 -1.98 -2.41 116.42 116.44 3dxm h ASP 218 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dxm h ASP 218 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3dxm h ASP 218 CO 0.00 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 3dxm n ASN 219 N -3.92 3.42 -4.89 6.45 4.13 -1.26 -4.81 115.26 114.38 3dxm n ASN 219 Ca -0.03 -1.97 -0.34 0.00 1.68 0.00 0.00 54.58 53.92 3dxm n ASN 219 Cb 0.11 -0.34 -0.05 0.00 -1.54 0.00 0.00 39.78 37.96 3dxm n ASN 219 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3dxm s ILE 220 N -1.06 5.26 -0.05 2.41 1.09 -0.91 -0.65 121.20 127.29 3dxm s ILE 220 Ca 0.36 0.14 -0.03 0.00 -1.10 0.00 0.00 60.65 60.02 3dxm s ILE 220 Cb 0.19 -3.59 0.03 0.00 -1.06 0.00 0.00 42.46 38.03 3dxm s ILE 220 CO 0.26 0.28 0.12 -0.83 -0.10 0.00 0.00 174.94 174.67 3dxm s GLY 221 N -1.89 -0.04 -0.15 6.18 0.00 0.14 -1.17 107.32 110.39 3dxm s GLY 221 Ca 0.31 0.48 -0.04 0.00 0.00 0.00 0.00 44.72 45.47 3dxm s GLY 221 CO 0.19 0.64 -0.04 -0.19 0.00 0.00 0.00 173.10 173.70 3dxm s TYR 222 N 0.66 3.03 -0.08 1.90 1.51 0.12 -1.00 117.35 123.50 3dxm s TYR 222 Ca -0.05 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 3dxm s TYR 222 Cb -0.07 -1.96 -0.00 0.00 -0.11 0.00 0.00 41.96 39.82 3dxm s TYR 222 CO -0.03 -0.02 -0.23 0.42 -1.11 0.00 0.00 175.55 174.58 3dxm s ILE 223 N 0.33 1.93 -0.14 2.71 1.09 -0.27 -0.58 121.20 126.28 3dxm s ILE 223 Ca -0.04 -0.97 0.02 0.00 -1.10 0.00 0.00 60.65 58.56 3dxm s ILE 223 Cb -0.14 -1.66 0.01 0.00 -1.06 0.00 0.00 42.46 39.61 3dxm s ILE 223 CO 0.03 0.54 -0.21 -0.89 -0.10 0.00 0.00 174.94 174.30 3dxm s THR 224 N 0.13 2.02 -0.11 2.92 2.01 0.03 -0.29 115.64 122.34 3dxm s THR 224 Ca -0.11 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 60.90 3dxm s THR 224 Cb -0.16 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 3dxm s THR 224 CO 0.06 0.54 0.04 -0.36 -0.69 0.00 0.00 174.62 174.21 3dxm s PHE 225 N 0.86 3.26 -0.31 4.92 0.40 -0.03 -0.80 117.98 126.29 3dxm s PHE 225 Ca -0.06 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 3dxm s PHE 225 Cb -0.15 -1.86 0.06 0.00 0.51 0.00 0.00 43.02 41.57 3dxm s PHE 225 CO -0.03 0.47 0.01 0.08 0.70 0.00 0.00 175.22 176.45 3dxm s VAL 226 N -0.72 2.91 -0.14 -0.44 1.01 -0.02 -1.55 120.40 121.45 3dxm s VAL 226 Ca 0.12 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.47 3dxm s VAL 226 Cb -0.12 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3dxm s VAL 226 CO 0.02 -0.16 0.28 -0.76 0.00 0.00 0.00 175.10 174.48 3dxm s LEU 227 N 1.22 4.28 0.34 3.92 1.43 0.58 -2.88 118.68 127.56 3dxm s LEU 227 Ca -0.04 0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 3dxm s LEU 227 Cb -0.20 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 3dxm s LEU 227 CO -0.02 0.16 0.39 -0.36 0.23 0.00 0.00 176.35 176.75 3dxm s PHE 228 N 0.15 3.01 0.37 0.29 0.40 -1.26 -1.07 117.98 119.88 3dxm s PHE 228 Ca 0.16 -0.26 0.19 0.00 -0.60 0.00 0.00 56.93 56.42 3dxm s PHE 228 Cb -0.13 -1.91 1.17 0.00 0.51 0.00 0.00 43.02 42.66 3dxm s PHE 228 CO 0.04 0.07 1.67 -1.35 0.70 0.00 0.00 175.22 176.36 3dxm h PRO 229 N 1.05 0.27 0.00 0.24 0.11 -1.96 0.68 132.00 132.39 3dxm h PRO 229 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dxm h PRO 229 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dxm h PRO 229 CO 0.55 0.18 0.00 0.07 -0.21 0.00 0.00 178.00 178.59 3dxm h ARG 230 N 0.27 0.00 0.00 1.05 0.11 -1.97 -0.02 114.38 113.82 3dxm h ARG 230 Ca 0.74 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.57 3dxm h ARG 230 Cb 1.86 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.90 3dxm h ARG 230 CO -0.52 0.00 -2.12 0.72 0.10 0.00 0.00 179.97 178.14 3dxm n HIS 231 N -2.56 0.00 0.99 4.08 8.25 0.23 -4.58 115.22 121.63 3dxm n HIS 231 Ca -0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3dxm n HIS 231 Cb 0.16 -0.77 0.08 0.00 1.12 0.00 0.00 29.99 30.58 3dxm n HIS 231 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3dxm n THR 232 N -2.54 0.00 -1.46 1.59 -2.24 -0.56 -3.57 114.28 105.51 3dxm n THR 232 Ca -0.23 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 3dxm n THR 232 Cb 0.94 1.45 0.16 0.00 -2.10 0.00 0.00 70.33 70.78 3dxm n THR 232 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dxm s ASN 233 N -2.08 2.97 0.60 3.42 2.20 -0.07 -4.60 114.94 117.38 3dxm s ASN 233 Ca 0.26 0.88 0.30 0.00 -0.94 0.00 0.00 52.86 53.35 3dxm s ASN 233 Cb 0.19 -1.37 1.71 0.00 -2.00 0.00 0.00 41.25 39.79 3dxm s ASN 233 CO 0.35 -2.88 2.12 0.00 -2.94 0.00 0.00 177.10 173.75 3dxm h ALA 234 N -1.73 1.71 0.03 3.54 0.00 -1.94 0.19 119.26 121.06 3dxm h ALA 234 Ca -0.50 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.13 3dxm h ALA 234 Cb 1.32 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3dxm h ALA 234 CO 0.55 -0.26 -1.48 1.03 0.00 0.00 0.00 179.25 179.09 3dxm h SER 235 N 0.00 0.09 0.00 0.00 0.87 -1.96 -3.38 113.55 109.18 3dxm h SER 235 Ca 0.07 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3dxm h SER 235 Cb 0.44 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3dxm h SER 235 CO -0.00 1.12 -1.79 0.00 -0.53 0.00 0.00 176.83 175.63 3dxm n ALA 236 N -2.53 2.86 -0.15 6.23 0.00 -0.99 -4.75 120.51 121.17 3dxm n ALA 236 Ca -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 3dxm n ALA 236 Cb 1.02 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 3dxm n ALA 236 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dxm n ARG 237 N -2.11 -0.16 -0.10 0.00 0.63 0.63 -1.47 116.66 114.08 3dxm n ARG 237 Ca -0.03 0.85 -0.06 0.00 -0.92 0.00 0.00 57.85 57.69 3dxm n ARG 237 Cb 0.48 -1.26 0.02 0.00 0.45 0.00 0.00 32.46 32.15 3dxm n ARG 237 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3dxm h ASP 238 N 0.00 0.07 -0.69 6.15 3.32 -1.85 -0.73 116.42 122.69 3dxm h ASP 238 Ca 0.06 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3dxm h ASP 238 Cb 0.15 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3dxm h ASP 238 CO -0.35 0.07 0.33 -1.13 -1.72 0.00 0.00 179.24 176.45 3dxm h ASN 239 N 0.23 0.90 -0.78 6.45 -1.24 -1.73 -0.84 115.58 118.57 3dxm h ASN 239 Ca 0.17 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 3dxm h ASN 239 Cb 0.17 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.95 3dxm h ASN 239 CO -0.20 0.77 0.36 0.74 -1.29 0.00 0.00 177.43 177.82 3dxm h THR 240 N 0.95 1.25 -0.47 -3.57 2.02 -0.89 -2.19 112.91 110.02 3dxm h THR 240 Ca 0.24 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 3dxm h THR 240 Cb 0.11 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3dxm h THR 240 CO -0.03 0.30 0.05 0.40 0.37 0.00 0.00 175.52 176.61 3dxm h ILE 241 N 1.11 1.25 -0.71 3.11 2.04 -0.81 -1.32 117.51 122.18 3dxm h ILE 241 Ca 0.27 -0.97 0.09 0.00 1.00 0.00 0.00 64.86 65.25 3dxm h ILE 241 Cb 0.14 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3dxm h ILE 241 CO -0.03 0.34 0.47 0.78 0.00 0.00 0.00 178.15 179.71 3dxm h ASN 242 N 0.66 0.54 0.02 1.72 2.35 -0.74 -2.45 115.58 117.68 3dxm h ASN 242 Ca 0.14 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3dxm h ASN 242 Cb 0.44 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3dxm h ASN 242 CO 0.02 0.33 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.04 3dxm h LEU 243 N 0.60 -0.03 -1.57 1.61 3.38 -1.14 -3.37 115.31 114.80 3dxm h LEU 243 Ca 0.33 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.48 3dxm h LEU 243 Cb 0.47 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3dxm h LEU 243 CO -0.11 0.42 0.57 -0.29 0.09 0.00 0.00 178.44 179.12 3dxm h ILE 244 N -0.92 0.71 0.00 1.22 6.09 -1.22 0.03 117.51 123.41 3dxm h ILE 244 Ca -0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 3dxm h ILE 244 Cb 0.03 0.30 0.00 0.00 0.47 0.00 0.00 36.82 37.62 3dxm h ILE 244 CO 0.01 0.07 0.00 0.00 -3.07 0.00 0.00 178.15 175.15 3dxm n HIS 245 N -4.48 0.00 0.55 2.19 1.44 -0.93 -2.90 115.22 111.09 3dxm n HIS 245 Ca 0.17 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.95 3dxm n HIS 245 Cb 0.66 -0.30 0.03 0.00 0.12 0.00 0.00 29.99 30.50 3dxm n HIS 245 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3dxm n THR 246 N -1.30 0.00 0.19 0.61 -2.24 -0.03 -4.73 114.28 106.78 3dxm n THR 246 Ca 0.13 -0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 3dxm n THR 246 Cb 0.24 1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 69.62 3dxm n THR 246 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3dxm h PHE 247 N 2.09 -1.08 -0.69 4.78 3.57 -1.35 0.11 116.94 124.37 3dxm h PHE 247 Ca 0.00 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.67 3dxm h PHE 247 Cb 0.50 0.43 -0.11 0.00 2.79 0.00 0.00 35.95 39.56 3dxm h PHE 247 CO 0.00 -0.52 0.05 -0.09 -2.23 0.00 0.00 178.31 175.52 3dxm h ARG 248 N -0.74 0.15 0.00 1.11 1.12 -1.85 0.88 114.38 115.06 3dxm h ARG 248 Ca -0.01 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 3dxm h ARG 248 Cb 0.69 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 3dxm h ARG 248 CO -0.13 0.10 -0.38 -0.44 -3.11 0.00 0.00 179.97 176.02 3dxm h ASP 249 N 0.15 0.00 -0.30 -3.80 3.32 -1.84 -2.88 116.42 111.07 3dxm h ASP 249 Ca 0.38 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.32 3dxm h ASP 249 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3dxm h ASP 249 CO -0.57 0.38 -0.23 0.22 -1.72 0.00 0.00 179.24 177.32 3dxm h TYR 250 N 0.00 0.80 0.24 4.55 3.20 0.14 -0.97 116.97 124.94 3dxm h TYR 250 Ca -0.00 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.63 3dxm h TYR 250 Cb 1.07 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3dxm h TYR 250 CO 0.00 0.95 -0.11 1.25 -1.64 0.00 0.00 178.16 178.60 3dxm h LEU 251 N 0.43 -0.27 -1.43 2.82 5.85 -0.92 -2.23 115.31 119.56 3dxm h LEU 251 Ca 0.06 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3dxm h LEU 251 Cb 0.78 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3dxm h LEU 251 CO 0.06 -0.06 -0.11 0.45 -0.34 0.00 0.00 178.44 178.44 3dxm h HIS 252 N -0.47 0.24 -0.26 1.25 3.86 -1.55 -1.91 115.15 116.31 3dxm h HIS 252 Ca -0.03 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3dxm h HIS 252 Cb 0.36 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3dxm h HIS 252 CO -0.02 0.35 0.08 -0.92 0.86 0.00 0.00 177.93 178.28 3dxm h TYR 253 N 0.22 0.42 0.00 2.45 3.20 -1.05 -2.64 116.97 119.57 3dxm h TYR 253 Ca 0.05 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3dxm h TYR 253 Cb 0.35 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3dxm h TYR 253 CO 0.01 0.46 -0.13 0.45 -1.64 0.00 0.00 178.16 177.30 3dxm h HIS 254 N 0.26 0.00 -0.23 -3.82 3.86 -1.04 -1.61 115.15 112.57 3dxm h HIS 254 Ca 0.08 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.13 3dxm h HIS 254 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3dxm h HIS 254 CO 0.00 0.13 -0.51 0.82 0.86 0.00 0.00 177.93 179.24 3dxm h ILE 255 N 0.00 1.30 -0.43 2.45 2.04 -1.19 -1.86 117.51 119.82 3dxm h ILE 255 Ca -0.00 -1.72 -0.14 0.00 1.00 0.00 0.00 64.86 64.00 3dxm h ILE 255 Cb 0.69 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3dxm h ILE 255 CO 0.02 0.55 -0.29 0.11 0.00 0.00 0.00 178.15 178.53 3dxm h LYS 256 N 0.47 0.95 0.00 2.37 1.57 -1.17 -2.27 116.57 118.49 3dxm h LYS 256 Ca 0.00 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 3dxm h LYS 256 Cb 1.12 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3dxm h LYS 256 CO 0.11 1.11 -0.34 0.00 -0.57 0.00 0.00 179.45 179.76 3dxm h SER 258 N 0.00 0.96 -0.04 0.00 0.87 -1.09 -1.40 113.55 112.86 3dxm h SER 258 Ca -0.00 -0.39 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 3dxm h SER 258 Cb 0.64 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3dxm h SER 258 CO 0.04 1.14 -0.31 0.11 -0.53 0.00 0.00 176.83 177.29 3dxm h LYS 259 N 0.78 0.50 -0.52 2.24 1.57 -0.91 -1.74 116.57 118.50 3dxm h LYS 259 Ca 0.11 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 3dxm h LYS 259 Cb 0.76 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3dxm h LYS 259 CO 0.06 0.75 -0.08 0.00 -0.57 0.00 0.00 179.45 179.62 3dxm h ALA 260 N 1.24 0.71 -0.66 3.86 0.00 -1.14 -1.86 119.26 121.41 3dxm h ALA 260 Ca 0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3dxm h ALA 260 Cb 0.75 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3dxm h ALA 260 CO 0.06 0.59 0.13 -0.92 0.00 0.00 0.00 179.25 179.12 3dxm h TYR 261 N 0.84 1.13 -0.20 0.00 3.20 -1.00 -1.98 116.97 118.96 3dxm h TYR 261 Ca 0.14 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3dxm h TYR 261 Cb 0.63 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3dxm h TYR 261 CO 0.05 0.95 -0.01 0.82 -1.64 0.00 0.00 178.16 178.32 3dxm h ILE 262 N 0.99 1.13 -0.70 1.81 1.08 -1.13 -1.72 117.51 118.97 3dxm h ILE 262 Ca 0.20 -0.52 -0.04 0.00 -0.39 0.00 0.00 64.86 64.12 3dxm h ILE 262 Cb 0.40 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 3dxm h ILE 262 CO 0.01 0.17 0.30 0.45 -0.69 0.00 0.00 178.15 178.39 3dxm h HIS 263 N 0.28 1.05 -0.41 1.37 3.86 -0.60 -0.14 115.15 120.57 3dxm h HIS 263 Ca 0.07 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3dxm h HIS 263 Cb 0.21 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3dxm h HIS 263 CO 0.00 0.80 0.01 1.79 0.86 0.00 0.00 177.93 181.40 3dxm h THR 264 N 1.00 1.22 -0.40 2.45 1.35 -0.89 0.15 112.91 117.78 3dxm h THR 264 Ca 0.24 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 65.20 3dxm h THR 264 Cb 0.18 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 3dxm h THR 264 CO -0.02 0.30 0.10 0.03 -0.25 0.00 0.00 175.52 175.68 3dxm h ARG 265 N 0.61 0.64 -0.02 4.72 3.08 -0.81 -2.36 114.38 120.25 3dxm h ARG 265 Ca 0.13 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3dxm h ARG 265 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3dxm h ARG 265 CO 0.01 0.66 -0.38 0.52 -1.07 0.00 0.00 179.97 179.71 3dxm h MET 266 N 0.50 0.03 -0.31 0.04 2.86 -0.35 -1.59 114.93 116.11 3dxm h MET 266 Ca 0.13 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 3dxm h MET 266 Cb 0.31 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3dxm h MET 266 CO 0.00 0.41 -0.41 0.00 1.06 0.00 0.00 176.91 177.97 3dxm h ARG 267 N 0.03 0.77 -0.09 1.72 3.08 -0.79 -1.78 114.38 117.31 3dxm h ARG 267 Ca 0.00 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 3dxm h ARG 267 Cb 0.69 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3dxm h ARG 267 CO 0.05 1.04 -0.06 0.00 -1.07 0.00 0.00 179.97 179.93 3dxm h ALA 268 N 0.90 0.13 -0.54 0.04 0.00 -1.11 -1.42 119.26 117.27 3dxm h ALA 268 Ca 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3dxm h ALA 268 Cb 0.97 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3dxm h ALA 268 CO 0.09 -0.08 -0.04 -0.22 0.00 0.00 0.00 179.25 178.99 3dxm h LYS 269 N -0.18 0.95 -0.43 0.00 1.63 -1.33 -1.83 116.57 115.39 3dxm h LYS 269 Ca 0.02 -0.31 -0.12 0.00 -0.85 0.00 0.00 60.65 59.39 3dxm h LYS 269 Cb 0.52 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 3dxm h LYS 269 CO 0.02 0.97 -0.21 1.15 -3.45 0.00 0.00 179.45 177.92 3dxm h THR 270 N 0.87 1.28 -0.74 1.00 2.02 -1.36 -1.67 112.91 114.30 3dxm h THR 270 Ca 0.15 -1.36 0.04 0.00 0.77 0.00 0.00 66.41 66.01 3dxm h THR 270 Cb 0.57 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 3dxm h THR 270 CO 0.03 0.46 0.46 -1.28 0.37 0.00 0.00 175.52 175.56 3dxm h SER 271 N 0.72 0.75 -0.37 4.18 0.87 -1.06 -1.53 113.55 117.11 3dxm h SER 271 Ca 0.09 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 3dxm h SER 271 Cb 0.78 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3dxm h SER 271 CO 0.06 0.51 -0.27 0.44 -0.53 0.00 0.00 176.83 177.04 3dxm h ASP 272 N 0.89 0.92 -0.78 6.23 3.45 -1.18 -2.59 116.42 123.35 3dxm h ASP 272 Ca 0.30 -0.36 0.01 0.00 0.43 0.00 0.00 57.03 57.41 3dxm h ASP 272 Cb 0.05 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.53 3dxm h ASP 272 CO -0.12 1.13 0.51 -0.26 -1.57 0.00 0.00 179.24 178.93 3dxm h PHE 273 N 0.76 0.97 -0.10 4.55 0.05 -0.77 -1.74 116.94 120.65 3dxm h PHE 273 Ca 0.09 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.83 3dxm h PHE 273 Cb 0.83 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.44 3dxm h PHE 273 CO 0.05 0.60 -0.26 -0.07 -0.18 0.00 0.00 178.31 178.45 3dxm h LEU 274 N 1.04 0.17 -0.20 1.54 3.38 -1.14 -0.57 115.31 119.53 3dxm h LEU 274 Ca 0.29 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3dxm h LEU 274 Cb -0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3dxm h LEU 274 CO -0.07 0.44 -0.20 0.11 0.09 0.00 0.00 178.44 178.80 3dxm h LYS 275 N 0.16 0.49 -0.44 1.13 1.57 -1.01 -1.74 116.57 116.73 3dxm h LYS 275 Ca 0.03 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3dxm h LYS 275 Cb 0.55 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3dxm h LYS 275 CO 0.04 0.84 0.26 0.28 -0.57 0.00 0.00 179.45 180.30 3dxm h VAL 276 N 0.16 1.15 -0.44 0.50 2.07 -1.08 -2.10 116.25 116.51 3dxm h VAL 276 Ca 0.03 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3dxm h VAL 276 Cb 0.75 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3dxm h VAL 276 CO 0.05 0.15 0.16 -0.07 0.02 0.00 0.00 177.57 177.88 3dxm h LEU 277 N 0.58 0.17 -0.96 2.57 3.38 -1.03 -1.71 115.31 118.31 3dxm h LEU 277 Ca 0.16 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dxm h LEU 277 Cb 0.02 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dxm h LEU 277 CO -0.03 0.13 0.00 0.78 0.09 0.00 0.00 178.44 179.41 3dxm h ASN 278 N 0.33 0.00 0.26 -0.43 2.35 -1.06 -2.10 115.58 114.93 3dxm h ASN 278 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3dxm h ASN 278 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3dxm h ASN 278 CO -0.21 0.00 -0.02 0.54 -1.65 0.00 0.00 177.43 176.09 3dxm n ARG 279 N -2.59 0.80 0.00 0.81 1.74 -0.65 -2.78 116.66 114.00 3dxm n ARG 279 Ca 0.02 -0.12 0.14 0.00 -0.77 0.00 0.00 57.85 57.12 3dxm n ARG 279 Cb 0.27 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 30.74 3dxm n ARG 279 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxm n ALA 280 N -1.00 2.87 -2.37 7.54 0.00 -0.79 -4.85 120.51 121.91 3dxm n ALA 280 Ca 0.19 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 3dxm n ALA 280 Cb 0.20 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 3dxm n ALA 280 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dxm s ARG 281 N -2.50 3.98 0.00 0.00 0.52 -1.12 -5.15 118.95 114.68 3dxm s ARG 281 Ca 0.27 0.49 0.02 0.00 -0.52 0.00 0.00 55.73 55.99 3dxm s ARG 281 Cb 0.20 -2.98 0.11 0.00 0.52 0.00 0.00 34.95 32.79 3dxm s ARG 281 CO 0.49 0.51 0.60 -2.30 0.02 0.00 0.00 175.30 174.62