#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1r n ASN 2 N 0.00 1.22 -4.71 7.28 0.23 -1.26 -4.92 115.26 113.10 1j1r n ASN 2 Ca 0.00 1.07 -0.42 0.00 -0.53 0.00 0.00 54.58 54.70 1j1r n ASN 2 Cb 0.00 -1.33 -0.03 0.00 -2.08 0.00 0.00 39.78 36.34 1j1r n ASN 2 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1j1r s THR 3 N -1.23 3.26 -0.24 5.53 2.01 -1.26 -4.73 115.64 118.98 1j1r s THR 3 Ca 0.62 0.85 -0.21 0.00 0.31 0.00 0.00 61.69 63.25 1j1r s THR 3 Cb -0.59 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 1j1r s THR 3 CO 0.58 0.04 0.66 -0.63 -0.69 0.00 0.00 174.62 174.58 1j1r s ILE 4 N 1.54 4.97 -0.04 1.82 1.09 -0.30 -4.91 121.20 125.38 1j1r s ILE 4 Ca 0.66 1.20 -0.01 0.00 -1.10 0.00 0.00 60.65 61.41 1j1r s ILE 4 Cb -0.37 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1j1r s ILE 4 CO 0.30 0.04 0.04 -0.89 -0.10 0.00 0.00 174.94 174.33 1j1r s THR 5 N 2.38 4.50 -0.05 2.92 2.01 -1.26 -0.89 115.64 125.26 1j1r s THR 5 Ca 0.28 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1j1r s THR 5 Cb -0.16 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1j1r s THR 5 CO 0.09 0.45 -0.04 0.12 -0.69 0.00 0.00 174.62 174.56 1j1r s PHE 6 N -1.06 0.73 -0.54 4.92 2.19 -0.09 -4.95 117.98 119.18 1j1r s PHE 6 Ca 0.19 -0.20 -0.18 0.00 0.33 0.00 0.00 56.93 57.06 1j1r s PHE 6 Cb -0.12 -0.69 0.09 0.00 -1.31 0.00 0.00 43.02 40.99 1j1r s PHE 6 CO 0.09 -0.22 0.60 0.34 1.83 0.00 0.00 175.22 177.86 1j1r s ASP 7 N 1.12 6.19 0.42 6.13 3.68 -1.26 -1.82 116.67 131.13 1j1r s ASP 7 Ca -0.08 -1.30 0.23 0.00 2.13 0.00 0.00 52.55 53.53 1j1r s ASP 7 Cb -0.14 -2.27 0.80 0.00 -1.45 0.00 0.00 42.92 39.86 1j1r s ASP 7 CO -0.01 -0.94 1.77 0.00 0.13 0.00 0.00 175.17 176.12 1j1r h ALA 8 N 9.02 0.98 -0.01 3.66 0.00 -1.20 -3.03 119.26 128.67 1j1r h ALA 8 Ca -0.29 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 1j1r h ALA 8 Cb 1.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1j1r h ALA 8 CO 1.02 0.31 -0.86 0.78 0.00 0.00 0.00 179.25 180.50 1j1r h GLY 9 N 2.32 0.31 -5.49 0.00 0.00 -1.72 -3.31 103.07 95.19 1j1r h GLY 9 Ca -0.00 -0.53 -0.56 0.00 0.00 0.00 0.00 47.33 46.24 1j1r h GLY 9 CO 0.03 0.47 -0.78 -2.01 0.00 0.00 0.00 176.54 174.25 1j1r n ASN 10 N -3.72 3.56 -4.91 0.19 5.15 -1.21 -4.68 115.26 109.65 1j1r n ASN 10 Ca -0.04 -3.51 -0.29 0.00 -0.60 0.00 0.00 54.58 50.13 1j1r n ASN 10 Cb 0.79 -0.58 -0.04 0.00 -0.53 0.00 0.00 39.78 39.43 1j1r n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j1r s ALA 11 N -3.19 3.69 0.25 5.20 0.00 -1.15 -4.92 121.76 121.64 1j1r s ALA 11 Ca 0.47 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1j1r s ALA 11 Cb 0.29 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1j1r s ALA 11 CO -0.12 0.36 0.09 0.95 0.00 0.00 0.00 175.76 177.04 1j1r s THR 12 N -1.96 0.55 0.19 0.00 -4.23 -1.26 -5.02 115.64 103.91 1j1r s THR 12 Ca 0.43 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.82 1j1r s THR 12 Cb -0.11 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.26 1j1r s THR 12 CO 0.28 -0.05 1.80 0.40 -0.54 0.00 0.00 174.62 176.52 1j1r h ILE 13 N 2.42 0.97 -0.32 2.99 2.04 -1.99 -2.17 117.51 121.46 1j1r h ILE 13 Ca -0.38 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.16 1j1r h ILE 13 Cb 1.24 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1j1r h ILE 13 CO 0.61 0.11 -0.27 0.78 0.00 0.00 0.00 178.15 179.38 1j1r h ASN 14 N 0.61 0.66 -0.48 1.72 4.21 -1.98 -0.17 115.58 120.14 1j1r h ASN 14 Ca 0.26 -0.24 -0.12 0.00 1.21 0.00 0.00 56.30 57.41 1j1r h ASN 14 Cb 0.14 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 1j1r h ASN 14 CO -0.16 0.90 -0.14 0.11 -1.29 0.00 0.00 177.43 176.84 1j1r h LYS 15 N 0.56 0.97 -0.58 0.81 1.79 -1.87 -1.65 116.57 116.59 1j1r h LYS 15 Ca 0.07 -0.37 -0.08 0.00 -2.18 0.00 0.00 60.65 58.09 1j1r h LYS 15 Cb 0.75 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 1j1r h LYS 15 CO 0.06 1.04 0.05 -0.92 -1.08 0.00 0.00 179.45 178.60 1j1r h TYR 16 N 0.85 1.07 -0.81 -1.35 3.20 -1.12 -1.73 116.97 117.08 1j1r h TYR 16 Ca 0.13 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1j1r h TYR 16 Cb 0.70 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1j1r h TYR 16 CO 0.04 0.94 0.41 0.00 -1.64 0.00 0.00 178.16 177.92 1j1r h ALA 17 N 0.99 1.20 -0.79 1.82 0.00 -0.95 -1.42 119.26 120.12 1j1r h ALA 17 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1j1r h ALA 17 Cb 0.48 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1j1r h ALA 17 CO 0.02 0.62 0.30 1.15 0.00 0.00 0.00 179.25 181.34 1j1r h THR 18 N 1.14 1.26 -0.43 0.00 2.02 -1.11 -2.71 112.91 113.08 1j1r h THR 18 Ca 0.28 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1j1r h THR 18 Cb 0.07 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1j1r h THR 18 CO -0.04 0.34 0.23 0.15 0.37 0.00 0.00 175.52 176.58 1j1r h PHE 19 N 1.15 0.60 -0.40 3.16 3.57 -0.87 -1.32 116.94 122.83 1j1r h PHE 19 Ca 0.26 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1j1r h PHE 19 Cb 0.24 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1j1r h PHE 19 CO 0.02 0.46 0.15 0.52 -2.23 0.00 0.00 178.31 177.23 1j1r h MET 20 N 0.56 0.61 -0.04 1.11 2.86 -1.18 -0.84 114.93 118.00 1j1r h MET 20 Ca 0.15 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1j1r h MET 20 Cb 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1j1r h MET 20 CO -0.02 0.59 -0.49 1.05 1.06 0.00 0.00 176.91 179.10 1j1r h GLU 21 N 0.51 0.10 -0.46 1.72 4.11 -1.32 -0.83 114.58 118.41 1j1r h GLU 21 Ca 0.13 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.40 1j1r h GLU 21 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1j1r h GLU 21 CO -0.01 0.57 -0.12 0.77 0.07 0.00 0.00 179.01 180.28 1j1r h SER 22 N 0.08 0.91 -0.39 3.06 0.02 -1.00 -1.27 113.55 114.96 1j1r h SER 22 Ca 0.00 -0.37 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 1j1r h SER 22 Cb 0.89 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1j1r h SER 22 CO 0.07 1.07 -0.05 0.25 -1.14 0.00 0.00 176.83 177.03 1j1r h LEU 23 N 0.75 0.73 -0.82 5.07 5.85 -0.82 -2.31 115.31 123.75 1j1r h LEU 23 Ca 0.12 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 1j1r h LEU 23 Cb 0.68 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1j1r h LEU 23 CO 0.05 0.89 -0.14 0.03 -0.34 0.00 0.00 178.44 178.93 1j1r h ARG 24 N 0.55 0.73 -0.01 1.25 3.08 -0.98 -0.98 114.38 118.01 1j1r h ARG 24 Ca 0.11 -0.25 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 1j1r h ARG 24 Cb 0.55 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1j1r h ARG 24 CO 0.03 0.84 -0.69 -0.91 -1.07 0.00 0.00 179.97 178.16 1j1r h ASN 25 N 0.65 0.08 0.49 7.04 2.35 -1.15 -1.04 115.58 124.01 1j1r h ASN 25 Ca 0.11 -0.05 -0.24 0.00 -0.55 0.00 0.00 56.30 55.56 1j1r h ASN 25 Cb 0.61 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1j1r h ASN 25 CO 0.04 0.74 -1.06 -0.33 -1.65 0.00 0.00 177.43 175.18 1j1r h GLU 26 N 0.04 0.32 -0.18 0.81 4.39 -1.22 -3.33 114.58 115.41 1j1r h GLU 26 Ca -0.01 -0.42 -0.22 0.00 0.34 0.00 0.00 59.36 59.05 1j1r h GLU 26 Cb 1.23 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1j1r h GLU 26 CO 0.09 1.13 -0.74 0.00 -1.16 0.00 0.00 179.01 178.34 1j1r h ALA 27 N 0.71 0.34 -2.77 3.43 0.00 -1.09 -3.47 119.26 116.41 1j1r h ALA 27 Ca -0.10 -0.59 -0.53 0.00 0.00 0.00 0.00 54.91 53.70 1j1r h ALA 27 Cb 1.73 -0.03 0.13 0.00 0.00 0.00 0.00 17.79 19.62 1j1r h ALA 27 CO 0.18 0.68 0.44 -1.59 0.00 0.00 0.00 179.25 178.96 1j1r s LYS 28 N -3.82 2.62 0.06 0.00 -2.85 -0.40 -4.38 119.74 110.97 1j1r s LYS 28 Ca -0.10 1.78 -0.31 0.00 -1.00 0.00 0.00 55.97 56.34 1j1r s LYS 28 Cb 0.09 -1.89 -0.06 0.00 -2.06 0.00 0.00 37.83 33.91 1j1r s LYS 28 CO 0.90 -1.47 1.23 0.34 0.10 0.00 0.00 175.35 176.46 1j1r s ASP 29 N -1.83 7.03 0.50 0.03 -1.08 -0.35 -4.79 116.67 116.18 1j1r s ASP 29 Ca 0.76 2.05 0.16 0.00 -0.52 0.00 0.00 52.55 55.00 1j1r s ASP 29 Cb -0.30 -2.58 1.22 0.00 -1.46 0.00 0.00 42.92 39.80 1j1r s ASP 29 CO 0.39 -0.51 2.10 1.55 0.52 0.00 0.00 175.17 179.22 1j1r h PRO 30 N 6.89 0.00 0.00 4.34 0.13 -1.93 -3.27 132.00 138.17 1j1r h PRO 30 Ca -0.41 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.46 1j1r h PRO 30 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1j1r h PRO 30 CO 0.83 0.06 -2.19 -1.13 -0.23 0.00 0.00 178.00 175.34 1j1r n SER 31 N -4.41 0.44 -4.73 1.44 3.41 -1.26 -4.95 113.62 103.55 1j1r n SER 31 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 1j1r n SER 31 Cb 0.14 1.17 -0.03 0.00 -0.26 0.00 0.00 64.21 65.24 1j1r n SER 31 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1j1r s LEU 32 N -5.14 4.41 -0.24 1.04 1.02 -1.24 -5.01 118.68 113.53 1j1r s LEU 32 Ca -0.09 2.33 -0.27 0.00 0.02 0.00 0.00 54.13 56.12 1j1r s LEU 32 Cb 0.07 -3.60 0.14 0.00 0.02 0.00 0.00 46.19 42.82 1j1r s LEU 32 CO 0.77 -0.50 1.10 -0.75 0.02 0.00 0.00 176.35 177.00 1j1r s LYS 33 N 0.08 0.44 -0.03 1.70 2.20 -1.26 -2.38 119.74 120.48 1j1r s LYS 33 Ca 0.57 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1j1r s LYS 33 Cb -0.35 0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.21 1j1r s LYS 33 CO 0.36 -0.09 0.00 0.00 -0.36 0.00 0.00 175.35 175.26 1j1r n TYR 35 N 4.26 -1.63 -0.83 0.00 4.01 0.12 -1.03 117.16 122.06 1j1r n TYR 35 Ca -0.24 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1j1r n TYR 35 Cb 0.50 -2.80 0.00 0.00 -0.31 0.00 0.00 39.34 36.73 1j1r n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j1r n GLY 36 N -0.97 0.79 3.63 2.72 0.00 -0.02 -4.84 105.19 106.49 1j1r n GLY 36 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1j1r n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j1r s ILE 37 N -3.02 5.31 0.46 -0.61 1.01 -0.20 -5.07 121.20 119.08 1j1r s ILE 37 Ca 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.68 1j1r s ILE 37 Cb 0.00 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 1j1r s ILE 37 CO 0.00 0.28 1.27 -2.16 0.00 0.00 0.00 174.94 174.33 1j1r s PRO 38 N 1.47 3.67 0.15 2.79 0.04 -1.26 -1.83 135.00 140.03 1j1r s PRO 38 Ca 0.09 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.26 1j1r s PRO 38 Cb -0.15 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1j1r s PRO 38 CO 0.08 -0.71 -0.01 1.41 0.04 0.00 0.00 177.00 177.81 1j1r s MET 39 N -2.57 2.39 0.46 4.56 1.75 -1.00 -1.32 119.30 123.56 1j1r s MET 39 Ca 0.63 -1.05 -0.20 0.00 -1.25 0.00 0.00 55.69 53.82 1j1r s MET 39 Cb -0.36 -2.38 -0.10 0.00 2.84 0.00 0.00 34.83 34.84 1j1r s MET 39 CO 0.44 0.48 0.98 -0.51 -0.65 0.00 0.00 175.02 175.76 1j1r s LEU 40 N -2.74 3.85 0.84 4.11 1.43 -0.60 -1.21 118.68 124.36 1j1r s LEU 40 Ca 0.26 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 1j1r s LEU 40 Cb -0.10 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.67 1j1r s LEU 40 CO 0.18 -0.54 1.10 -2.16 0.23 0.00 0.00 176.35 175.15 1j1r s PRO 41 N -3.35 1.74 0.00 1.29 0.04 -1.26 -4.10 135.00 129.36 1j1r s PRO 41 Ca 0.63 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1j1r s PRO 41 Cb -0.11 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1j1r s PRO 41 CO 0.18 -1.86 0.00 0.27 0.04 0.00 0.00 177.00 175.63 1j1r n ASN 42 N -3.60 0.00 0.00 6.66 6.94 -1.26 -4.60 115.26 119.39 1j1r n ASN 42 Ca 0.07 -0.86 0.06 0.00 -0.02 0.00 0.00 54.58 53.83 1j1r n ASN 42 Cb 0.56 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.32 1j1r n ASN 42 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1j1r n THR 43 N -1.29 0.45 -1.43 5.53 -2.24 -1.26 -2.33 114.28 111.72 1j1r n THR 43 Ca 0.00 0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.69 1j1r n THR 43 Cb 0.00 -0.91 0.14 0.00 -2.10 0.00 0.00 70.33 67.46 1j1r n THR 43 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1j1r n ASN 44 N -1.19 4.44 -4.75 3.42 0.23 -1.26 -5.02 115.26 111.13 1j1r n ASN 44 Ca 0.07 -3.73 -0.35 0.00 -0.53 0.00 0.00 54.58 50.04 1j1r n ASN 44 Cb 0.08 -0.75 0.05 0.00 -2.08 0.00 0.00 39.78 37.08 1j1r n ASN 44 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1j1r s SER 45 N -2.11 4.91 0.19 0.53 1.04 -0.98 -4.95 113.70 112.32 1j1r s SER 45 Ca 0.54 2.33 -0.12 0.00 0.48 0.00 0.00 55.95 59.18 1j1r s SER 45 Cb 0.46 -2.59 0.16 0.00 0.10 0.00 0.00 66.02 64.14 1j1r s SER 45 CO 0.03 -1.78 1.80 0.74 0.98 0.00 0.00 173.24 175.02 1j1r h THR 46 N 0.46 0.99 -3.59 2.02 2.02 -1.95 -3.38 112.91 109.48 1j1r h THR 46 Ca -0.49 -0.20 -0.64 0.00 0.77 0.00 0.00 66.41 65.84 1j1r h THR 46 Cb 1.29 0.35 -0.21 0.00 -1.74 0.00 0.00 68.15 67.83 1j1r h THR 46 CO 0.53 0.11 -0.61 -0.63 0.37 0.00 0.00 175.52 175.29 1j1r s ILE 47 N -6.12 4.42 -0.28 3.11 1.01 -1.26 -4.99 121.20 117.08 1j1r s ILE 47 Ca -0.13 -0.14 0.22 0.00 0.00 0.00 0.00 60.65 60.60 1j1r s ILE 47 Cb 0.14 -3.05 -0.25 0.00 0.01 0.00 0.00 42.46 39.31 1j1r s ILE 47 CO 0.74 0.36 0.68 0.29 0.00 0.00 0.00 174.94 177.02 1j1r n LYS 48 N 4.65 0.50 -4.30 2.79 5.02 -1.26 -4.87 118.16 120.69 1j1r n LYS 48 Ca -0.16 -0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 55.83 1j1r n LYS 48 Cb 0.52 -1.56 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 1j1r n LYS 48 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1j1r s TYR 49 N -3.38 1.60 -0.01 2.13 2.02 -1.26 -0.84 117.35 117.60 1j1r s TYR 49 Ca -0.03 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 1j1r s TYR 49 Cb 0.14 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1j1r s TYR 49 CO 0.88 0.25 -0.16 -0.51 -1.57 0.00 0.00 175.55 174.44 1j1r s LEU 50 N -2.78 2.02 -0.14 -1.29 1.43 -0.46 -4.82 118.68 112.64 1j1r s LEU 50 Ca 0.15 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1j1r s LEU 50 Cb -0.04 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1j1r s LEU 50 CO 0.05 0.19 -0.04 -0.76 0.23 0.00 0.00 176.35 176.02 1j1r s LEU 51 N -0.34 3.27 -0.17 1.79 1.43 -1.26 -1.30 118.68 122.09 1j1r s LEU 51 Ca 0.06 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1j1r s LEU 51 Cb -0.06 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1j1r s LEU 51 CO -0.00 0.20 -0.16 -0.69 0.23 0.00 0.00 176.35 175.93 1j1r s VAL 52 N 0.16 1.80 -0.21 -1.59 1.01 -0.45 -1.15 120.40 119.97 1j1r s VAL 52 Ca -0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1j1r s VAL 52 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1j1r s VAL 52 CO 0.03 0.42 0.05 -0.75 0.00 0.00 0.00 175.10 174.85 1j1r s LYS 53 N 1.38 3.79 -0.08 2.72 2.20 -0.06 -0.02 119.74 129.67 1j1r s LYS 53 Ca 0.03 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.20 1j1r s LYS 53 Cb -0.14 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1j1r s LYS 53 CO -0.11 0.07 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.43 1j1r s LEU 54 N 0.89 3.48 -0.02 5.43 1.43 -0.06 -0.92 118.68 128.92 1j1r s LEU 54 Ca 0.03 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1j1r s LEU 54 Cb -0.14 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1j1r s LEU 54 CO 0.02 0.37 -0.16 -1.58 0.23 0.00 0.00 176.35 175.24 1j1r s GLN 55 N -0.87 1.32 0.55 1.70 0.74 -0.76 -1.08 119.66 121.27 1j1r s GLN 55 Ca 0.13 -0.57 0.08 0.00 0.05 0.00 0.00 55.36 55.05 1j1r s GLN 55 Cb -0.11 -1.26 0.06 0.00 1.10 0.00 0.00 33.01 32.79 1j1r s GLN 55 CO 0.02 0.33 0.58 0.20 -0.55 0.00 0.00 175.29 175.87 1j1r s GLY 56 N -0.32 2.06 0.50 2.59 0.00 -0.83 -0.61 107.32 110.71 1j1r s GLY 56 Ca 0.05 -1.70 0.22 0.00 0.00 0.00 0.00 44.72 43.30 1j1r s GLY 56 CO -0.00 -1.81 2.07 0.00 0.00 0.00 0.00 173.10 173.36 1j1r h ALA 57 N 0.50 1.51 0.00 3.20 0.00 -1.83 -1.20 119.26 121.44 1j1r h ALA 57 Ca -0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1j1r h ALA 57 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j1r h ALA 57 CO 0.50 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.77 1j1r n SER 58 N -3.98 0.00 0.00 0.00 3.41 -1.26 -4.90 113.62 106.89 1j1r n SER 58 Ca -0.02 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1j1r n SER 58 Cb 0.21 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1j1r n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1j1r n LEU 59 N -1.42 0.16 -4.80 1.04 4.77 -0.45 -5.04 117.00 111.27 1j1r n LEU 59 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 1j1r n LEU 59 Cb 0.20 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1j1r n LEU 59 CO 0.17 -0.08 0.72 -0.54 -1.33 0.00 0.00 177.39 176.33 1j1r s LYS 60 N -0.17 3.70 0.18 3.23 1.02 -1.26 -4.77 119.74 121.68 1j1r s LYS 60 Ca 0.00 1.36 0.09 0.00 0.02 0.00 0.00 55.97 57.44 1j1r s LYS 60 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1j1r s LYS 60 CO 0.00 -0.51 -0.19 0.95 -0.92 0.00 0.00 175.35 174.68 1j1r s THR 61 N -2.02 1.94 -0.03 2.17 -4.23 -1.26 -1.97 115.64 110.24 1j1r s THR 61 Ca 0.67 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1j1r s THR 61 Cb -0.17 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1j1r s THR 61 CO 0.23 -0.29 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.23 1j1r s ILE 62 N -2.03 1.25 -0.19 2.99 1.01 -0.24 -4.40 121.20 119.59 1j1r s ILE 62 Ca 0.18 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1j1r s ILE 62 Cb -0.06 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1j1r s ILE 62 CO 0.08 0.36 -0.07 -0.89 0.00 0.00 0.00 174.94 174.42 1j1r s THR 63 N -0.10 3.32 0.09 2.92 2.01 -0.35 -0.88 115.64 122.66 1j1r s THR 63 Ca 0.00 -0.53 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1j1r s THR 63 Cb -0.09 -2.48 -0.06 0.00 0.01 0.00 0.00 72.50 69.88 1j1r s THR 63 CO 0.01 0.46 0.47 -0.76 -0.69 0.00 0.00 174.62 174.11 1j1r s LEU 64 N 1.06 4.37 -0.12 4.42 1.43 0.98 -1.08 118.68 129.74 1j1r s LEU 64 Ca 0.00 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1j1r s LEU 64 Cb -0.15 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 1j1r s LEU 64 CO -0.01 0.18 -0.18 -0.32 0.23 0.00 0.00 176.35 176.25 1j1r s MET 65 N -1.75 3.23 -0.07 1.70 1.75 -0.56 -1.34 119.30 122.26 1j1r s MET 65 Ca 0.33 -0.77 0.03 0.00 -1.25 0.00 0.00 55.69 54.03 1j1r s MET 65 Cb -0.15 -2.51 -0.02 0.00 2.84 0.00 0.00 34.83 34.99 1j1r s MET 65 CO 0.18 0.17 -0.14 -0.51 -0.65 0.00 0.00 175.02 174.07 1j1r s LEU 66 N 0.42 2.74 -0.05 4.11 1.02 -0.42 -0.76 118.68 125.74 1j1r s LEU 66 Ca -0.13 -0.23 -0.30 0.00 0.02 0.00 0.00 54.13 53.50 1j1r s LEU 66 Cb -0.17 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 1j1r s LEU 66 CO 0.06 0.30 1.07 -0.60 0.02 0.00 0.00 176.35 177.20 1j1r s ARG 67 N -0.44 4.43 0.42 1.70 3.52 -0.00 -1.35 118.95 127.23 1j1r s ARG 67 Ca 0.05 1.51 0.14 0.00 -0.13 0.00 0.00 55.73 57.30 1j1r s ARG 67 Cb -0.12 -3.51 0.92 0.00 -1.56 0.00 0.00 34.95 30.68 1j1r s ARG 67 CO 0.02 -0.29 1.94 -0.09 -0.81 0.00 0.00 175.30 176.07 1j1r h ARG 68 N 7.10 0.00 -0.91 5.12 2.43 -1.30 0.36 114.38 127.18 1j1r h ARG 68 Ca -0.35 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1j1r h ARG 68 Cb 1.17 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1j1r h ARG 68 CO 0.84 0.24 0.58 -0.97 -1.51 0.00 0.00 179.97 179.15 1j1r h ASN 69 N 0.00 0.95 0.00 -3.80 -0.00 -1.81 -3.34 115.58 107.58 1j1r h ASN 69 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1j1r h ASN 69 Cb 0.44 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.56 1j1r h ASN 69 CO 0.03 0.63 -0.06 -0.46 -0.00 0.00 0.00 177.43 177.57 1j1r n ASN 70 N -4.54 0.00 -2.23 1.15 6.94 -1.17 -4.58 115.26 110.82 1j1r n ASN 70 Ca 0.12 -1.13 -0.21 0.00 -0.02 0.00 0.00 54.58 53.35 1j1r n ASN 70 Cb 0.13 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.50 1j1r n ASN 70 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1j1r n LEU 71 N 0.00 -1.87 -4.73 -4.53 4.77 0.13 -4.99 117.00 105.78 1j1r n LEU 71 Ca 0.00 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 1j1r n LEU 71 Cb 0.53 -2.93 -0.04 0.00 -2.33 0.00 0.00 43.42 38.65 1j1r n LEU 71 CO 0.00 -0.39 0.73 -0.31 -1.33 0.00 0.00 177.39 176.09 1j1r s TYR 72 N -2.99 3.69 -0.15 -1.77 2.02 -1.21 -4.73 117.35 112.21 1j1r s TYR 72 Ca 0.00 1.67 -0.29 0.00 -0.37 0.00 0.00 57.07 58.08 1j1r s TYR 72 Cb 0.00 -3.17 -0.02 0.00 -0.40 0.00 0.00 41.96 38.37 1j1r s TYR 72 CO 0.00 -0.23 1.23 0.08 -1.57 0.00 0.00 175.55 175.05 1j1r s VAL 73 N 0.17 4.32 -0.13 0.71 1.01 -1.26 -0.82 120.40 124.39 1j1r s VAL 73 Ca 0.50 1.61 0.18 0.00 0.00 0.00 0.00 61.98 64.26 1j1r s VAL 73 Cb -0.26 -4.04 -0.16 0.00 0.00 0.00 0.00 36.38 31.93 1j1r s VAL 73 CO 0.31 -0.11 0.71 0.23 0.00 0.00 0.00 175.10 176.24 1j1r n MET 74 N 6.26 0.63 -3.41 2.72 0.00 0.07 -4.94 117.12 118.45 1j1r n MET 74 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1j1r n MET 74 Cb 0.45 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.93 1j1r n MET 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1j1r n GLY 75 N 1.41 -1.56 3.31 3.03 0.00 -1.25 -2.86 105.19 107.27 1j1r n GLY 75 Ca -0.11 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1j1r n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j1r s TYR 76 N -2.53 0.07 0.20 1.61 1.13 -0.26 -1.50 117.35 116.07 1j1r s TYR 76 Ca 0.00 -0.44 0.08 0.00 -1.41 0.00 0.00 57.07 55.30 1j1r s TYR 76 Cb 0.00 0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.91 1j1r s TYR 76 CO 0.00 -0.68 -0.16 -1.54 -2.51 0.00 0.00 175.55 170.66 1j1r s SER 77 N -2.87 2.68 0.03 -0.18 1.04 -0.24 -0.30 113.70 113.85 1j1r s SER 77 Ca 0.08 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1j1r s SER 77 Cb 0.03 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 1j1r s SER 77 CO -0.08 -0.11 -0.06 1.51 0.98 0.00 0.00 173.24 175.48 1j1r s ASP 78 N -3.13 0.60 0.03 7.02 3.84 -0.89 -1.21 116.67 122.93 1j1r s ASP 78 Ca 0.21 -0.52 -0.30 0.00 -0.00 0.00 0.00 52.55 51.94 1j1r s ASP 78 Cb -0.03 0.06 -0.08 0.00 -1.38 0.00 0.00 42.92 41.49 1j1r s ASP 78 CO 0.07 -0.24 1.88 -2.84 -0.00 0.00 0.00 175.17 174.04 1j1r s PRO 79 N -1.50 4.15 -0.15 2.11 0.02 -1.26 -1.86 135.00 136.51 1j1r s PRO 79 Ca -0.12 2.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.38 1j1r s PRO 79 Cb -0.10 -4.04 0.06 0.00 0.02 0.00 0.00 34.50 30.45 1j1r s PRO 79 CO -0.00 -0.91 0.14 -0.47 -0.33 0.00 0.00 177.00 175.43 1j1r s TYR 80 N 4.09 -0.04 -1.29 6.54 6.14 -0.11 -2.93 117.35 129.75 1j1r s TYR 80 Ca 0.84 0.10 -0.05 0.00 0.64 0.00 0.00 57.07 58.60 1j1r s TYR 80 Cb -0.41 -0.48 0.01 0.00 0.42 0.00 0.00 41.96 41.49 1j1r s TYR 80 CO 0.38 -0.45 1.11 -3.47 0.64 0.00 0.00 175.55 173.76 1j1r n ASP 81 N 5.30 -4.62 -2.44 4.32 2.03 -1.26 -0.93 116.55 118.95 1j1r n ASP 81 Ca -0.06 -0.57 -0.17 0.00 0.52 0.00 0.00 54.79 54.51 1j1r n ASP 81 Cb 0.49 -5.07 -0.01 0.00 -0.72 0.00 0.00 41.12 35.82 1j1r n ASP 81 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1j1r n ASN 82 N -3.06 -4.93 -4.28 1.67 4.13 -1.26 -5.00 115.26 102.53 1j1r n ASN 82 Ca -0.11 0.08 -0.15 0.00 1.68 0.00 0.00 54.58 56.08 1j1r n ASN 82 Cb 0.60 -4.14 -0.10 0.00 -1.54 0.00 0.00 39.78 34.61 1j1r n ASN 82 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1j1r s LYS 83 N -5.06 1.22 -0.40 3.52 1.02 -0.11 -4.82 119.74 115.11 1j1r s LYS 83 Ca 0.01 -1.61 -0.18 0.00 0.02 0.00 0.00 55.97 54.21 1j1r s LYS 83 Cb -0.00 -0.35 0.01 0.00 -0.52 0.00 0.00 37.83 36.97 1j1r s LYS 83 CO 0.01 -0.15 0.51 0.00 -0.92 0.00 0.00 175.35 174.80 1j1r s ARG 85 N 2.40 3.76 -0.15 0.00 3.52 -0.78 -1.78 118.95 125.92 1j1r s ARG 85 Ca 0.17 -0.24 -0.05 0.00 -0.13 0.00 0.00 55.73 55.48 1j1r s ARG 85 Cb -0.16 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 1j1r s ARG 85 CO 0.15 -0.41 0.03 1.52 -0.81 0.00 0.00 175.30 175.78 1j1r s TYR 86 N 2.03 3.21 -0.28 5.12 1.13 -0.44 -2.10 117.35 126.01 1j1r s TYR 86 Ca 0.13 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.86 1j1r s TYR 86 Cb -0.16 -1.97 0.05 0.00 -1.10 0.00 0.00 41.96 38.79 1j1r s TYR 86 CO 0.11 0.25 -0.05 -1.01 -2.51 0.00 0.00 175.55 172.34 1j1r s HIS 87 N -0.08 3.26 0.01 -3.49 3.76 0.58 -1.44 115.29 117.89 1j1r s HIS 87 Ca 0.05 -2.05 0.08 0.00 -0.15 0.00 0.00 55.06 52.99 1j1r s HIS 87 Cb -0.12 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.51 1j1r s HIS 87 CO 0.02 -0.83 -0.24 0.42 -0.85 0.00 0.00 174.74 173.25 1j1r s ILE 88 N 1.19 1.92 0.56 0.60 1.01 -1.26 -1.10 121.20 124.12 1j1r s ILE 88 Ca -0.07 -1.16 -0.21 0.00 0.00 0.00 0.00 60.65 59.21 1j1r s ILE 88 Cb -0.20 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1j1r s ILE 88 CO -0.03 0.43 1.35 -0.36 0.00 0.00 0.00 174.94 176.33 1j1r s PHE 89 N -0.67 2.25 -2.00 3.97 0.08 -1.14 -1.77 117.98 118.70 1j1r s PHE 89 Ca 0.10 1.38 0.08 0.00 0.12 0.00 0.00 56.93 58.61 1j1r s PHE 89 Cb -0.09 -3.80 0.50 0.00 -0.57 0.00 0.00 43.02 39.06 1j1r s PHE 89 CO 0.00 -2.93 0.92 0.27 -0.10 0.00 0.00 175.22 173.38 1j1r n ASN 90 N -1.14 0.00 -0.01 1.36 0.23 -0.79 -2.66 115.26 112.25 1j1r n ASN 90 Ca 0.11 -0.48 0.00 0.00 -0.53 0.00 0.00 54.58 53.68 1j1r n ASN 90 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1j1r n ASN 90 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1j1r n ASP 91 N -0.86 1.65 -4.51 0.53 5.75 -1.26 -4.89 116.55 112.95 1j1r n ASP 91 Ca 0.06 -1.63 -0.42 0.00 -0.01 0.00 0.00 54.79 52.79 1j1r n ASP 91 Cb 0.03 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.03 1j1r n ASP 91 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1j1r s ILE 92 N -0.63 5.05 0.20 2.12 -1.09 -1.09 -5.06 121.20 120.70 1j1r s ILE 92 Ca 0.00 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1j1r s ILE 92 Cb 0.00 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1j1r s ILE 92 CO 0.00 -0.35 0.02 -0.54 -1.23 0.00 0.00 174.94 172.84 1j1r s LYS 93 N 2.27 1.20 7.71 2.79 -0.14 -1.26 -4.54 119.74 127.76 1j1r s LYS 93 Ca 0.15 -1.60 0.00 0.00 -1.36 0.00 0.00 55.97 53.16 1j1r s LYS 93 Cb -0.16 -0.32 0.00 0.00 -1.68 0.00 0.00 37.83 35.67 1j1r s LYS 93 CO 0.14 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 174.99 1j1r n GLY 94 N -0.31 3.23 0.17 -3.33 0.00 -1.26 -3.32 105.19 100.38 1j1r n GLY 94 Ca -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1j1r n GLY 94 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1j1r h THR 95 N 0.00 0.70 -0.13 2.61 2.02 -1.99 -2.52 112.91 113.59 1j1r h THR 95 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1j1r h THR 95 Cb 0.00 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1j1r h THR 95 CO 0.00 0.02 0.04 -0.33 0.37 0.00 0.00 175.52 175.62 1j1r h GLU 96 N 0.11 0.21 -0.91 6.66 5.08 -1.96 -1.35 114.58 122.41 1j1r h GLU 96 Ca 0.20 -0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.66 1j1r h GLU 96 Cb 0.28 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 1j1r h GLU 96 CO -0.33 0.36 0.52 -0.92 -1.00 0.00 0.00 179.01 177.63 1j1r h TYR 97 N 0.02 0.91 0.00 4.33 3.20 -1.50 0.14 116.97 124.08 1j1r h TYR 97 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1j1r h TYR 97 Cb 0.24 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1j1r h TYR 97 CO 0.00 0.26 -1.09 0.43 -1.64 0.00 0.00 178.16 176.12 1j1r n SER 98 N -4.79 0.74 0.09 -2.11 7.64 -0.97 -0.71 113.62 113.52 1j1r n SER 98 Ca 0.18 -0.65 -0.03 0.00 1.01 0.00 0.00 58.87 59.38 1j1r n SER 98 Cb 0.43 1.03 0.19 0.00 -1.01 0.00 0.00 64.21 64.85 1j1r n SER 98 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1j1r h ASP 99 N 0.00 0.24 0.09 6.43 3.45 -0.74 -1.56 116.42 124.34 1j1r h ASP 99 Ca 0.00 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.34 1j1r h ASP 99 Cb 0.61 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1j1r h ASP 99 CO 0.00 0.69 -0.05 0.58 -1.57 0.00 0.00 179.24 178.90 1j1r h VAL 100 N 0.18 1.14 -0.16 -1.35 2.07 -0.80 -1.24 116.25 116.09 1j1r h VAL 100 Ca 0.01 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1j1r h VAL 100 Cb 0.93 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1j1r h VAL 100 CO 0.08 0.26 -0.05 -0.08 0.02 0.00 0.00 177.57 177.80 1j1r h GLU 101 N -0.67 -0.01 0.00 1.57 4.81 -0.97 0.40 114.58 119.71 1j1r h GLU 101 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1j1r h GLU 101 Cb 0.53 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1j1r h GLU 101 CO 0.02 -0.01 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.23 1j1r h ASN 102 N -0.02 0.00 0.45 1.04 4.21 -1.37 -0.87 115.58 119.02 1j1r h ASN 102 Ca 0.08 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.29 1j1r h ASN 102 Cb 0.14 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1j1r h ASN 102 CO -0.17 0.15 -1.66 0.74 -1.29 0.00 0.00 177.43 175.19 1j1r h THR 103 N 0.00 0.96 -0.17 2.81 2.02 -0.93 -3.23 112.91 114.37 1j1r h THR 103 Ca -0.00 -2.71 -0.19 0.00 0.77 0.00 0.00 66.41 64.28 1j1r h THR 103 Cb 0.89 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1j1r h THR 103 CO 0.02 0.71 -0.63 -0.07 0.37 0.00 0.00 175.52 175.92 1j1r h LEU 104 N 0.03 0.84 -6.95 2.58 3.38 -0.94 -3.41 115.31 110.84 1j1r h LEU 104 Ca -0.28 -0.61 -0.59 0.00 0.09 0.00 0.00 57.88 56.50 1j1r h LEU 104 Cb 2.00 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 42.10 1j1r h LEU 104 CO 0.11 1.31 -0.77 0.00 0.09 0.00 0.00 178.44 179.17 1j1r n PRO 106 N 4.32 1.07 0.00 0.00 -0.02 -1.22 -4.26 135.00 134.90 1j1r n PRO 106 Ca 0.04 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1j1r n PRO 106 Cb 0.39 -1.86 0.20 0.00 -0.02 0.00 0.00 33.50 32.21 1j1r n PRO 106 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1j1r n SER 107 N 1.98 0.00 -0.31 2.55 3.41 -1.26 -1.71 113.62 118.27 1j1r n SER 107 Ca 0.15 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 1j1r n SER 107 Cb 0.24 -0.36 0.30 0.00 -0.26 0.00 0.00 64.21 64.13 1j1r n SER 107 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1j1r n SER 108 N -1.36 1.26 -4.34 4.04 3.41 -1.26 -4.92 113.62 110.45 1j1r n SER 108 Ca 0.03 -1.05 -0.19 0.00 -0.26 0.00 0.00 58.87 57.40 1j1r n SER 108 Cb 0.08 0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 1j1r n SER 108 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1j1r s ASN 109 N -2.48 2.62 0.38 4.04 -0.87 -0.69 -5.12 114.94 112.82 1j1r s ASN 109 Ca 0.24 -0.98 -0.28 0.00 -1.57 0.00 0.00 52.86 50.26 1j1r s ASN 109 Cb 0.19 -0.15 -0.11 0.00 -0.02 0.00 0.00 41.25 41.17 1j1r s ASN 109 CO 0.52 -0.14 1.45 -2.84 -2.57 0.00 0.00 177.10 173.53 1j1r s PRO 110 N -3.45 4.10 0.19 -0.60 0.02 -1.26 -4.84 135.00 129.15 1j1r s PRO 110 Ca 0.21 2.49 -0.17 0.00 0.02 0.00 0.00 61.00 63.56 1j1r s PRO 110 Cb -0.02 -2.94 0.03 0.00 0.02 0.00 0.00 34.50 31.58 1j1r s PRO 110 CO 0.07 -0.51 0.50 -0.98 -0.33 0.00 0.00 177.00 175.75 1j1r s ARG 111 N -2.09 1.35 -0.10 5.54 1.70 -1.26 -1.86 118.95 122.22 1j1r s ARG 111 Ca 0.53 -0.87 -0.22 0.00 -0.47 0.00 0.00 55.73 54.70 1j1r s ARG 111 Cb -0.45 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1j1r s ARG 111 CO 0.61 -0.57 0.53 0.54 -1.08 0.00 0.00 175.30 175.33 1j1r s VAL 112 N -3.87 0.01 -0.02 4.99 0.11 -0.74 -4.86 120.40 116.03 1j1r s VAL 112 Ca 0.09 -0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 1j1r s VAL 112 Cb -0.01 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 1j1r s VAL 112 CO -0.03 -0.07 0.44 0.00 -3.33 0.00 0.00 175.10 172.11 1j1r s ALA 113 N -0.62 3.63 -0.38 1.54 0.00 -1.26 -1.33 121.76 123.34 1j1r s ALA 113 Ca -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1j1r s ALA 113 Cb -0.03 -2.48 0.13 0.00 0.00 0.00 0.00 23.12 20.75 1j1r s ALA 113 CO 0.05 0.36 0.21 0.21 0.00 0.00 0.00 175.76 176.59 1j1r s LYS 114 N -0.69 0.84 0.56 0.00 2.20 -0.52 -4.90 119.74 117.22 1j1r s LYS 114 Ca 0.25 -1.54 -0.19 0.00 -0.36 0.00 0.00 55.97 54.13 1j1r s LYS 114 Cb -0.17 -1.75 -0.07 0.00 -1.51 0.00 0.00 37.83 34.33 1j1r s LYS 114 CO 0.13 -1.17 0.86 -2.30 -0.36 0.00 0.00 175.35 172.52 1j1r n PRO 115 N 3.96 0.87 -3.31 4.03 -0.02 -1.26 -4.05 135.00 135.22 1j1r n PRO 115 Ca 0.09 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 1j1r n PRO 115 Cb 0.37 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1j1r n PRO 115 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1j1r s ILE 116 N -1.53 5.08 -0.34 4.25 1.01 -0.73 -4.84 121.20 124.09 1j1r s ILE 116 Ca 0.72 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 1j1r s ILE 116 Cb -0.45 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 37.98 1j1r s ILE 116 CO 0.50 -0.45 2.84 0.59 0.00 0.00 0.00 174.94 178.42 1j1r n ASN 117 N 5.63 6.21 -3.69 3.58 3.02 -1.26 -2.24 115.26 126.51 1j1r n ASN 117 Ca -0.07 -3.03 -0.03 0.00 -0.03 0.00 0.00 54.58 51.42 1j1r n ASN 117 Cb 0.47 -1.25 -0.01 0.00 -0.61 0.00 0.00 39.78 38.38 1j1r n ASN 117 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1j1r s TYR 118 N -1.17 -0.13 0.64 3.10 -0.85 -1.26 -4.97 117.35 112.71 1j1r s TYR 118 Ca 0.56 -0.10 0.01 0.00 -0.52 0.00 0.00 57.07 57.02 1j1r s TYR 118 Cb 0.35 0.60 0.09 0.00 0.38 0.00 0.00 41.96 43.38 1j1r s TYR 118 CO -0.15 -0.65 0.89 0.54 -1.52 0.00 0.00 175.55 174.66 1j1r s ASN 119 N -2.88 4.77 -0.18 -0.18 6.03 -1.26 -1.89 114.94 119.35 1j1r s ASN 119 Ca 0.12 -0.29 0.11 0.00 -1.03 0.00 0.00 52.86 51.76 1j1r s ASN 119 Cb 0.00 -0.30 0.62 0.00 -3.03 0.00 0.00 41.25 38.55 1j1r s ASN 119 CO -0.00 -1.54 1.45 0.61 -2.03 0.00 0.00 177.10 175.58 1j1r n GLY 120 N -2.58 2.61 3.82 0.45 0.00 -1.26 -4.61 105.19 103.61 1j1r n GLY 120 Ca 0.12 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1j1r n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j1r s LEU 121 N -2.07 4.24 0.29 0.99 1.43 -1.26 -4.92 118.68 117.38 1j1r s LEU 121 Ca 0.41 1.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 1j1r s LEU 121 Cb 0.31 -3.87 0.63 0.00 0.03 0.00 0.00 46.19 43.29 1j1r s LEU 121 CO 0.12 -0.08 1.80 1.88 0.23 0.00 0.00 176.35 180.31 1j1r h TYR 122 N 2.98 1.06 -0.58 0.29 0.05 -1.99 -1.49 116.97 117.29 1j1r h TYR 122 Ca -0.48 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.28 1j1r h TYR 122 Cb 1.19 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 1j1r h TYR 122 CO 0.63 0.32 0.15 -1.35 -1.05 0.00 0.00 178.16 176.86 1j1r h PRO 123 N 0.85 0.89 -0.08 4.88 0.11 -1.98 -1.24 132.00 135.43 1j1r h PRO 123 Ca 0.53 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 66.44 1j1r h PRO 123 Cb 0.68 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1j1r h PRO 123 CO -0.33 0.79 -0.02 1.15 -0.21 0.00 0.00 178.00 179.38 1j1r h THR 124 N 0.85 1.30 -0.06 -1.15 2.02 -1.78 -1.99 112.91 112.11 1j1r h THR 124 Ca 0.19 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1j1r h THR 124 Cb 0.29 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1j1r h THR 124 CO -0.00 0.27 -0.35 -0.07 0.37 0.00 0.00 175.52 175.73 1j1r h LEU 125 N -0.20 0.11 -0.16 2.58 3.38 -1.08 -1.73 115.31 118.22 1j1r h LEU 125 Ca 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1j1r h LEU 125 Cb 0.43 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1j1r h LEU 125 CO 0.01 0.46 -0.03 -0.33 0.09 0.00 0.00 178.44 178.63 1j1r h GLU 126 N 0.10 0.30 -0.20 1.13 5.08 -1.23 -0.56 114.58 119.20 1j1r h GLU 126 Ca 0.01 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1j1r h GLU 126 Cb 0.67 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1j1r h GLU 126 CO 0.05 0.58 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.31 1j1r h LYS 127 N 0.01 -0.08 -0.37 2.33 3.64 -0.95 -1.43 116.57 119.72 1j1r h LYS 127 Ca 0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1j1r h LYS 127 Cb 0.46 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1j1r h LYS 127 CO 0.01 -0.06 0.13 0.87 -2.27 0.00 0.00 179.45 178.14 1j1r h LYS 128 N -0.09 0.52 0.00 1.90 1.79 -1.29 -0.60 116.57 118.81 1j1r h LYS 128 Ca 0.11 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1j1r h LYS 128 Cb 0.25 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1j1r h LYS 128 CO -0.25 0.45 0.00 0.00 -1.08 0.00 0.00 179.45 178.57 1j1r h ALA 129 N 1.63 1.00 0.00 3.86 0.00 -0.36 -3.33 119.26 122.06 1j1r h ALA 129 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j1r h ALA 129 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1j1r h ALA 129 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1j1r n GLY 130 N 0.62 0.63 3.45 0.00 0.00 -0.23 -4.96 105.19 104.69 1j1r n GLY 130 Ca 0.04 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1j1r n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j1r s VAL 131 N -2.00 2.36 0.07 1.61 -7.23 -0.97 -5.03 120.40 109.22 1j1r s VAL 131 Ca 0.00 -2.37 -0.15 0.00 -1.81 0.00 0.00 61.98 57.65 1j1r s VAL 131 Cb 0.00 -2.26 -0.19 0.00 0.56 0.00 0.00 36.38 34.50 1j1r s VAL 131 CO 0.00 -0.42 1.24 0.74 -0.31 0.00 0.00 175.10 176.35 1j1r h THR 132 N 2.34 1.31 -3.52 5.32 2.02 -1.98 -3.37 112.91 115.02 1j1r h THR 132 Ca -0.40 -2.02 -0.12 0.00 0.77 0.00 0.00 66.41 64.64 1j1r h THR 132 Cb 1.25 2.18 -0.18 0.00 -1.74 0.00 0.00 68.15 69.66 1j1r h THR 132 CO 0.60 0.63 -0.42 -0.55 0.37 0.00 0.00 175.52 176.15 1j1r s SER 133 N -7.04 0.02 0.00 4.18 0.15 -1.26 -5.01 113.70 104.74 1j1r s SER 133 Ca -0.11 -0.31 0.25 0.00 0.70 0.00 0.00 55.95 56.49 1j1r s SER 133 Cb 0.07 0.27 1.22 0.00 -1.71 0.00 0.00 66.02 65.86 1j1r s SER 133 CO 0.89 -0.50 1.84 -2.11 1.20 0.00 0.00 173.24 174.56 1j1r n ARG 134 N 0.92 0.25 0.00 5.44 1.85 -1.26 -1.86 116.66 121.99 1j1r n ARG 134 Ca -0.20 0.05 0.06 0.00 -1.00 0.00 0.00 57.85 56.77 1j1r n ARG 134 Cb 0.58 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.80 1j1r n ARG 134 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1j1r n ASN 135 N -1.36 0.00 -0.26 2.89 6.94 -1.26 -1.76 115.26 120.45 1j1r n ASN 135 Ca 0.10 0.22 0.14 0.00 -0.02 0.00 0.00 54.58 55.02 1j1r n ASN 135 Cb 0.23 -0.35 0.52 0.00 -2.36 0.00 0.00 39.78 37.83 1j1r n ASN 135 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1j1r n GLU 136 N -1.35 1.05 -3.75 -3.83 1.02 -0.78 -4.55 120.64 108.45 1j1r n GLU 136 Ca 0.05 -0.52 -0.37 0.00 -0.02 0.00 0.00 57.16 56.30 1j1r n GLU 136 Cb 0.12 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.93 1j1r n GLU 136 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j1r s VAL 137 N -2.31 4.40 0.30 2.62 1.01 -0.72 -5.09 120.40 120.60 1j1r s VAL 137 Ca 0.31 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 1j1r s VAL 137 Cb 0.20 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.43 1j1r s VAL 137 CO 0.44 0.34 0.95 -1.10 0.00 0.00 0.00 175.10 175.73 1j1r s GLN 138 N 1.58 4.67 0.29 2.72 -0.21 -1.26 -4.65 119.66 122.80 1j1r s GLN 138 Ca 0.06 1.39 0.07 0.00 0.02 0.00 0.00 55.36 56.90 1j1r s GLN 138 Cb -0.15 -2.96 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 1j1r s GLN 138 CO 0.04 0.35 0.30 -0.51 -2.12 0.00 0.00 175.29 173.36 1j1r s LEU 139 N -1.76 3.86 0.00 2.90 1.43 -0.27 -4.89 118.68 119.95 1j1r s LEU 139 Ca 0.47 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1j1r s LEU 139 Cb -0.21 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1j1r s LEU 139 CO 0.27 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1j1r n GLY 140 N -1.36 3.07 0.18 -3.19 0.00 -1.26 -0.83 105.19 101.80 1j1r n GLY 140 Ca -0.05 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1j1r n GLY 140 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1j1r h ILE 141 N 1.00 1.24 -0.60 -0.61 1.08 -1.83 -2.09 117.51 115.70 1j1r h ILE 141 Ca 0.00 -0.85 -0.04 0.00 -0.39 0.00 0.00 64.86 63.58 1j1r h ILE 141 Cb 0.00 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1j1r h ILE 141 CO 0.00 0.28 0.21 -0.61 -0.69 0.00 0.00 178.15 177.34 1j1r h GLN 142 N 0.37 0.91 -0.54 2.37 -0.00 -1.88 -2.30 115.11 114.05 1j1r h GLN 142 Ca 0.10 -0.18 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 1j1r h GLN 142 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 1j1r h GLN 142 CO 0.01 0.80 0.24 0.82 0.00 0.00 0.00 178.83 180.70 1j1r h ILE 143 N 0.84 1.21 -0.37 2.39 2.04 -1.86 0.88 117.51 122.63 1j1r h ILE 143 Ca 0.20 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1j1r h ILE 143 Cb 0.25 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1j1r h ILE 143 CO -0.01 0.24 0.20 0.25 0.00 0.00 0.00 178.15 178.83 1j1r h LEU 144 N 0.73 0.30 0.01 1.44 5.85 -1.36 0.33 115.31 122.61 1j1r h LEU 144 Ca 0.18 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1j1r h LEU 144 Cb 0.16 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1j1r h LEU 144 CO -0.02 0.22 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.02 1j1r h SER 145 N 0.40 -0.01 -0.66 1.25 0.87 -1.07 -0.36 113.55 113.97 1j1r h SER 145 Ca 0.15 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1j1r h SER 145 Cb 0.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1j1r h SER 145 CO -0.09 0.11 0.29 0.28 -0.53 0.00 0.00 176.83 176.88 1j1r h SER 146 N -0.13 0.91 -0.08 6.23 0.02 -0.57 -2.68 113.55 117.25 1j1r h SER 146 Ca -0.00 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1j1r h SER 146 Cb 0.13 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1j1r h SER 146 CO 0.00 0.81 -0.15 0.44 -1.14 0.00 0.00 176.83 176.79 1j1r h ASP 147 N 0.99 0.41 -0.58 3.07 5.19 -0.55 -2.23 116.42 122.71 1j1r h ASP 147 Ca 0.23 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1j1r h ASP 147 Cb 0.17 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 1j1r h ASP 147 CO -0.02 0.59 0.36 0.40 -3.12 0.00 0.00 179.24 177.45 1j1r h ILE 148 N 0.39 1.16 -0.93 0.35 2.04 -0.73 -2.94 117.51 116.87 1j1r h ILE 148 Ca 0.07 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1j1r h ILE 148 Cb 0.50 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1j1r h ILE 148 CO 0.03 0.17 0.54 1.23 0.00 0.00 0.00 178.15 180.12 1j1r h GLY 149 N 0.79 1.36 2.00 5.37 0.00 -1.28 0.38 103.07 111.68 1j1r h GLY 149 Ca 0.21 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1j1r h GLY 149 CO -0.04 0.56 -0.02 0.50 0.00 0.00 0.00 176.54 177.54 1j1r h LYS 150 N 1.28 0.00 0.00 4.80 1.57 -1.25 -3.36 116.57 119.61 1j1r h LYS 150 Ca 0.33 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1j1r h LYS 150 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1j1r h LYS 150 CO -0.06 0.02 -1.37 -0.89 -0.57 0.00 0.00 179.45 176.58 1j1r n ILE 151 N -3.18 0.73 -1.69 1.86 5.41 -1.06 -4.84 119.36 116.58 1j1r n ILE 151 Ca -0.01 -0.07 -0.44 0.00 1.00 0.00 0.00 62.75 63.24 1j1r n ILE 151 Cb 0.22 -1.69 -0.03 0.00 -0.71 0.00 0.00 39.64 37.42 1j1r n ILE 151 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1j1r n SER 152 N -3.55 3.79 0.00 4.38 2.88 0.10 -1.61 113.62 119.61 1j1r n SER 152 Ca -0.18 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1j1r n SER 152 Cb 0.57 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1j1r n SER 152 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j1r n GLY 153 N 4.02 0.34 3.82 0.46 0.00 -1.15 -4.86 105.19 107.83 1j1r n GLY 153 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1j1r n GLY 153 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j1r s GLN 154 N -0.82 3.77 0.17 1.61 -1.52 -0.63 -4.79 119.66 117.46 1j1r s GLN 154 Ca 0.00 -0.01 -0.09 0.00 -1.95 0.00 0.00 55.36 53.32 1j1r s GLN 154 Cb 0.00 -3.27 0.04 0.00 -0.22 0.00 0.00 33.01 29.56 1j1r s GLN 154 CO 0.00 0.60 1.54 0.78 -0.25 0.00 0.00 175.29 177.96 1j1r h GLY 155 N 5.45 0.99 -5.44 3.09 0.00 -1.95 -3.44 103.07 101.78 1j1r h GLY 155 Ca -0.50 -0.93 -0.47 0.00 0.00 0.00 0.00 47.33 45.44 1j1r h GLY 155 CO 0.64 0.84 -0.80 -0.45 0.00 0.00 0.00 176.54 176.77 1j1r s SER 156 N -6.78 1.49 0.09 0.19 0.15 -1.26 -5.13 113.70 102.45 1j1r s SER 156 Ca -0.11 -0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.06 1j1r s SER 156 Cb 0.12 -0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.11 1j1r s SER 156 CO 0.87 0.10 0.60 0.72 1.20 0.00 0.00 173.24 176.72 1j1r s PHE 157 N 0.11 -0.54 0.48 3.44 -0.12 -1.26 -5.02 117.98 115.07 1j1r s PHE 157 Ca -0.03 0.52 -0.10 0.00 -0.05 0.00 0.00 56.93 57.27 1j1r s PHE 157 Cb -0.09 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 1j1r s PHE 157 CO 0.01 -0.76 0.85 -0.08 -0.05 0.00 0.00 175.22 175.18 1j1r s THR 158 N -2.99 4.78 0.38 -4.49 -1.32 -1.26 -4.97 115.64 105.77 1j1r s THR 158 Ca -0.03 0.62 0.16 0.00 -1.21 0.00 0.00 61.69 61.23 1j1r s THR 158 Cb -0.01 -3.79 0.15 0.00 -1.51 0.00 0.00 72.50 67.34 1j1r s THR 158 CO -0.06 -0.75 1.90 -0.33 -2.21 0.00 0.00 174.62 173.17 1j1r h GLU 159 N 0.64 0.00 -0.61 7.08 5.08 -1.99 -2.33 114.58 122.45 1j1r h GLU 159 Ca -0.46 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 1j1r h GLU 159 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1j1r h GLU 159 CO 0.63 0.29 0.04 -0.22 -1.00 0.00 0.00 179.01 178.74 1j1r h LYS 160 N 0.00 1.04 0.00 2.33 3.64 -1.94 -1.38 116.57 120.27 1j1r h LYS 160 Ca -0.00 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 58.92 1j1r h LYS 160 Cb 0.55 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1j1r h LYS 160 CO 0.04 1.01 -0.66 -0.84 -2.27 0.00 0.00 179.45 176.72 1j1r h ILE 161 N 0.95 1.15 -0.38 2.00 3.07 -1.88 -2.32 117.51 120.10 1j1r h ILE 161 Ca 0.18 -2.58 -0.06 0.00 1.55 0.00 0.00 64.86 63.95 1j1r h ILE 161 Cb 0.51 2.54 -0.01 0.00 -0.27 0.00 0.00 36.82 39.58 1j1r h ILE 161 CO 0.02 0.65 0.01 -0.08 -1.05 0.00 0.00 178.15 177.70 1j1r h GLU 162 N 0.00 0.67 0.00 0.16 4.81 -1.38 -1.13 114.58 117.71 1j1r h GLU 162 Ca -0.01 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.89 1j1r h GLU 162 Cb 1.48 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 1j1r h GLU 162 CO 0.09 0.76 -0.62 0.00 -0.73 0.00 0.00 179.01 178.51 1j1r h ALA 163 N 0.88 0.86 -0.27 2.92 0.00 -1.25 -1.32 119.26 121.08 1j1r h ALA 163 Ca 0.11 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1j1r h ALA 163 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j1r h ALA 163 CO 0.02 0.77 -0.41 0.87 0.00 0.00 0.00 179.25 180.50 1j1r h LYS 164 N 0.00 0.76 -0.37 0.00 1.57 -1.39 -2.06 116.57 115.08 1j1r h LYS 164 Ca -0.01 -0.45 0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1j1r h LYS 164 Cb 1.18 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 1j1r h LYS 164 CO 0.08 1.08 0.01 0.35 -0.57 0.00 0.00 179.45 180.39 1j1r h PHE 165 N 0.50 -0.01 -0.10 -1.35 3.57 -0.99 -2.11 116.94 116.45 1j1r h PHE 165 Ca 0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1j1r h PHE 165 Cb 1.00 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1j1r h PHE 165 CO 0.08 -0.06 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.66 1j1r h LEU 166 N 0.11 0.21 -0.76 0.59 3.38 -1.22 0.85 115.31 118.48 1j1r h LEU 166 Ca 0.18 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1j1r h LEU 166 Cb 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1j1r h LEU 166 CO -0.29 0.57 -0.27 -0.07 0.09 0.00 0.00 178.44 178.47 1j1r h LEU 167 N 0.18 0.66 -0.21 1.67 3.38 -1.07 -1.06 115.31 118.86 1j1r h LEU 167 Ca 0.02 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1j1r h LEU 167 Cb 0.73 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1j1r h LEU 167 CO 0.06 0.90 -0.24 0.58 0.09 0.00 0.00 178.44 179.83 1j1r h VAL 168 N 0.56 1.33 -0.12 1.22 2.07 -1.04 -2.77 116.25 117.49 1j1r h VAL 168 Ca 0.07 -1.41 -0.21 0.00 0.82 0.00 0.00 66.70 65.97 1j1r h VAL 168 Cb 0.75 1.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1j1r h VAL 168 CO 0.06 0.43 -0.78 0.00 0.02 0.00 0.00 177.57 177.30 1j1r h ALA 169 N 0.64 0.40 -0.71 1.67 0.00 -0.70 -2.12 119.26 118.44 1j1r h ALA 169 Ca 0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1j1r h ALA 169 Cb 0.79 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1j1r h ALA 169 CO 0.06 0.71 0.29 0.82 0.00 0.00 0.00 179.25 181.13 1j1r h ILE 170 N 0.44 1.24 0.01 0.00 2.04 -1.26 -1.42 117.51 118.56 1j1r h ILE 170 Ca -0.05 -0.75 -0.22 0.00 1.00 0.00 0.00 64.86 64.84 1j1r h ILE 170 Cb 1.39 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1j1r h ILE 170 CO 0.15 0.30 -0.93 1.56 0.00 0.00 0.00 178.15 179.23 1j1r h GLN 171 N 1.01 0.33 -0.00 2.37 4.20 -1.43 -1.44 115.11 120.14 1j1r h GLN 171 Ca 0.24 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1j1r h GLN 171 Cb 0.19 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1j1r h GLN 171 CO -0.02 1.06 -0.20 -1.33 -0.67 0.00 0.00 178.83 177.67 1j1r n MET 172 N -3.71 0.22 0.00 1.46 2.81 -0.81 -1.53 117.12 115.56 1j1r n MET 172 Ca -0.06 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 1j1r n MET 172 Cb 0.83 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1j1r n MET 172 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j1r n VAL 173 N -1.33 0.00 0.15 2.03 0.31 -0.54 -4.66 118.33 114.29 1j1r n VAL 173 Ca 0.09 0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.36 1j1r n VAL 173 Cb 0.32 -0.99 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 1j1r n VAL 173 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1j1r h SER 174 N 0.00 -0.29 -0.20 4.52 0.02 -1.46 -1.33 113.55 114.81 1j1r h SER 174 Ca 0.00 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 1j1r h SER 174 Cb 0.00 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1j1r h SER 174 CO 0.00 -0.06 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.08 1j1r h GLU 175 N -0.53 0.65 -0.60 3.45 4.39 -1.36 -2.21 114.58 118.38 1j1r h GLU 175 Ca -0.04 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.35 1j1r h GLU 175 Cb 0.39 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1j1r h GLU 175 CO 0.06 0.82 0.09 0.00 -1.16 0.00 0.00 179.01 178.82 1j1r h ALA 176 N 1.19 1.03 -0.23 3.43 0.00 -1.33 -0.48 119.26 122.87 1j1r h ALA 176 Ca 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1j1r h ALA 176 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1j1r h ALA 176 CO 0.05 0.62 -0.34 0.00 0.00 0.00 0.00 179.25 179.58 1j1r h ALA 177 N 1.18 0.98 -0.21 0.00 0.00 -0.89 -3.24 119.26 117.09 1j1r h ALA 177 Ca 0.19 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1j1r h ALA 177 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j1r h ALA 177 CO 0.01 0.61 -0.34 0.00 0.00 0.00 0.00 179.25 179.52 1j1r h ARG 178 N 0.42 0.59 -4.94 0.00 3.08 -1.26 -3.34 114.38 108.94 1j1r h ARG 178 Ca 0.05 -0.36 -0.67 0.00 0.07 0.00 0.00 59.98 59.06 1j1r h ARG 178 Cb 0.80 0.04 -0.33 0.00 0.08 0.00 0.00 29.97 30.55 1j1r h ARG 178 CO 0.06 0.97 -0.78 -0.06 -1.07 0.00 0.00 179.97 179.10 1j1r s PHE 179 N -4.12 3.03 0.46 3.04 0.08 -0.20 -0.50 117.98 119.76 1j1r s PHE 179 Ca -0.13 -1.70 0.17 0.00 0.12 0.00 0.00 56.93 55.40 1j1r s PHE 179 Cb 0.07 -2.00 1.13 0.00 -0.57 0.00 0.00 43.02 41.65 1j1r s PHE 179 CO 0.82 -0.77 1.97 0.87 -0.10 0.00 0.00 175.22 178.00 1j1r h LYS 180 N 7.95 0.30 -0.74 0.44 1.57 -0.47 -1.89 116.57 123.73 1j1r h LYS 180 Ca -0.34 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 1j1r h LYS 180 Cb 1.10 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1j1r h LYS 180 CO 0.57 0.20 0.34 -0.92 -0.57 0.00 0.00 179.45 179.06 1j1r h TYR 181 N 0.30 1.09 -0.19 -1.35 3.20 -1.46 -0.37 116.97 118.20 1j1r h TYR 181 Ca 0.30 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.98 1j1r h TYR 181 Cb 0.75 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1j1r h TYR 181 CO -0.00 0.81 -0.36 0.82 -1.64 0.00 0.00 178.16 177.79 1j1r h ILE 182 N 1.05 1.34 -0.88 1.81 2.04 -1.63 -1.11 117.51 120.12 1j1r h ILE 182 Ca 0.25 -1.59 0.17 0.00 1.00 0.00 0.00 64.86 64.69 1j1r h ILE 182 Cb 0.15 1.89 -0.10 0.00 -0.74 0.00 0.00 36.82 38.01 1j1r h ILE 182 CO -0.03 0.49 0.45 -0.08 0.00 0.00 0.00 178.15 178.98 1j1r h GLU 183 N 0.24 0.57 0.00 2.37 4.81 -1.26 -1.08 114.58 120.22 1j1r h GLU 183 Ca 0.01 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1j1r h GLU 183 Cb 0.95 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1j1r h GLU 183 CO 0.08 0.37 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.31 1j1r h ASN 184 N 0.58 0.00 -0.80 1.04 -0.26 -0.70 -2.37 115.58 113.07 1j1r h ASN 184 Ca 0.50 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.21 1j1r h ASN 184 Cb 0.79 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.02 1j1r h ASN 184 CO -0.41 0.51 0.38 1.56 -1.06 0.00 0.00 177.43 178.41 1j1r h GLN 185 N 0.00 1.16 -0.02 0.81 1.08 0.09 -1.64 115.11 116.60 1j1r h GLN 185 Ca -0.01 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1j1r h GLN 185 Cb 0.92 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1j1r h GLN 185 CO 0.07 0.91 0.01 0.28 -0.95 0.00 0.00 178.83 179.14 1j1r h VAL 186 N 1.14 1.14 -0.44 -0.54 2.07 -1.36 -2.25 116.25 116.01 1j1r h VAL 186 Ca 0.27 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1j1r h VAL 186 Cb 0.13 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1j1r h VAL 186 CO -0.03 0.11 -0.04 0.11 0.02 0.00 0.00 177.57 177.74 1j1r h LYS 187 N -0.13 0.73 -0.21 1.57 1.57 -1.36 -1.75 116.57 116.99 1j1r h LYS 187 Ca 0.01 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1j1r h LYS 187 Cb 0.17 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1j1r h LYS 187 CO -0.00 0.77 0.09 1.15 -0.57 0.00 0.00 179.45 180.90 1j1r h THR 188 N 0.68 1.15 -0.73 -0.16 2.02 -1.29 -2.87 112.91 111.70 1j1r h THR 188 Ca 0.13 -0.43 -0.44 0.00 0.77 0.00 0.00 66.41 66.44 1j1r h THR 188 Cb 0.48 1.05 -0.22 0.00 -1.74 0.00 0.00 68.15 67.72 1j1r h THR 188 CO 0.02 0.14 0.56 0.59 0.37 0.00 0.00 175.52 177.21 1j1r n ASN 189 N -4.84 5.22 -0.33 4.18 3.02 -0.85 -4.73 115.26 116.93 1j1r n ASN 189 Ca -0.04 -3.29 0.08 0.00 -0.03 0.00 0.00 54.58 51.30 1j1r n ASN 189 Cb 0.11 -0.88 0.27 0.00 -0.61 0.00 0.00 39.78 38.67 1j1r n ASN 189 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1j1r h PHE 190 N 1.21 1.06 -0.58 3.10 3.57 -1.09 -2.11 116.94 122.10 1j1r h PHE 190 Ca 0.46 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.92 1j1r h PHE 190 Cb 1.66 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 40.02 1j1r h PHE 190 CO 1.15 0.43 0.08 0.09 -2.23 0.00 0.00 178.31 177.83 1j1r n ASN 191 N -4.59 5.14 -3.95 0.41 5.03 -1.26 -4.39 115.26 111.65 1j1r n ASN 191 Ca 0.18 -3.06 -0.09 0.00 0.87 0.00 0.00 54.58 52.48 1j1r n ASN 191 Cb 0.36 -0.68 -0.08 0.00 -1.02 0.00 0.00 39.78 38.35 1j1r n ASN 191 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1j1r s ARG 192 N -2.87 0.85 0.19 3.52 1.70 -0.79 -5.07 118.95 116.48 1j1r s ARG 192 Ca 0.53 -1.10 -0.28 0.00 -0.47 0.00 0.00 55.73 54.41 1j1r s ARG 192 Cb 0.41 0.31 -0.08 0.00 -0.57 0.00 0.00 34.95 35.02 1j1r s ARG 192 CO 0.14 -0.25 0.89 -0.51 -1.08 0.00 0.00 175.30 174.48 1j1r s ASP 193 N -2.91 7.53 0.06 -2.89 -0.00 -1.26 -4.67 116.67 112.53 1j1r s ASP 193 Ca 0.09 1.81 -0.01 0.00 -0.00 0.00 0.00 52.55 54.45 1j1r s ASP 193 Cb 0.06 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.37 1j1r s ASP 193 CO -0.08 0.14 -0.03 0.72 -0.00 0.00 0.00 175.17 175.92 1j1r s PHE 194 N -0.96 0.57 -0.14 4.23 -0.71 -0.01 -4.95 117.98 116.01 1j1r s PHE 194 Ca 0.40 -1.06 -0.08 0.00 -1.04 0.00 0.00 56.93 55.16 1j1r s PHE 194 Cb -0.25 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 1j1r s PHE 194 CO 0.30 -0.36 0.14 -1.12 -1.34 0.00 0.00 175.22 172.83 1j1r s SER 195 N -2.94 6.34 0.09 1.98 0.01 -1.26 -1.11 113.70 116.82 1j1r s SER 195 Ca 0.08 0.42 -0.31 0.00 1.31 0.00 0.00 55.95 57.45 1j1r s SER 195 Cb 0.08 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 64.16 1j1r s SER 195 CO -0.09 0.36 1.54 -2.16 0.41 0.00 0.00 173.24 173.30 1j1r s PRO 196 N -0.74 4.24 0.95 12.44 0.04 -1.26 -4.99 135.00 145.67 1j1r s PRO 196 Ca 0.14 2.23 -0.16 0.00 0.04 0.00 0.00 61.00 63.24 1j1r s PRO 196 Cb -0.12 -3.41 0.22 0.00 0.04 0.00 0.00 34.50 31.24 1j1r s PRO 196 CO 0.03 -0.61 1.13 0.27 0.04 0.00 0.00 177.00 177.85 1j1r n ASN 197 N 4.79 -0.53 0.14 6.66 0.23 -1.26 -4.73 115.26 120.56 1j1r n ASN 197 Ca 0.14 -1.33 0.01 0.00 -0.53 0.00 0.00 54.58 52.87 1j1r n ASN 197 Cb 0.41 -0.91 0.32 0.00 -2.08 0.00 0.00 39.78 37.52 1j1r n ASN 197 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1j1r h ASP 198 N -1.86 0.15 -0.02 0.53 3.32 -1.81 -2.58 116.42 114.14 1j1r h ASP 198 Ca -0.38 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 1j1r h ASP 198 Cb 1.08 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1j1r h ASP 198 CO 0.26 0.46 -0.46 0.50 -1.72 0.00 0.00 179.24 178.29 1j1r h LYS 199 N 0.13 0.56 0.44 3.56 3.64 -1.73 -2.28 116.57 120.90 1j1r h LYS 199 Ca 0.02 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1j1r h LYS 199 Cb 0.62 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1j1r h LYS 199 CO 0.05 0.91 -0.44 0.28 -2.27 0.00 0.00 179.45 177.97 1j1r h VAL 200 N 0.45 0.12 -0.55 2.00 2.07 -1.82 -1.82 116.25 116.70 1j1r h VAL 200 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1j1r h VAL 200 Cb 0.97 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1j1r h VAL 200 CO 0.09 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.87 1j1r h LEU 201 N -0.90 0.69 -0.18 2.57 3.38 -1.48 -2.04 115.31 117.36 1j1r h LEU 201 Ca -0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1j1r h LEU 201 Cb 0.79 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1j1r h LEU 201 CO -0.07 0.59 -0.02 -0.78 0.09 0.00 0.00 178.44 178.25 1j1r h ASP 202 N 0.77 0.32 -0.47 -0.43 1.82 -1.35 -2.40 116.42 114.68 1j1r h ASP 202 Ca 0.19 -0.34 0.02 0.00 -0.39 0.00 0.00 57.03 56.52 1j1r h ASP 202 Cb 0.08 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 1j1r h ASP 202 CO -0.03 0.58 0.27 -0.07 -1.61 0.00 0.00 179.24 178.39 1j1r h LEU 203 N 0.06 0.44 -0.96 2.28 3.38 -1.16 -2.41 115.31 116.93 1j1r h LEU 203 Ca 0.05 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.19 1j1r h LEU 203 Cb 0.43 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 1j1r h LEU 203 CO 0.01 0.31 0.57 -0.33 0.09 0.00 0.00 178.44 179.09 1j1r h GLU 204 N 0.55 0.76 0.00 1.13 5.08 -1.23 -2.22 114.58 118.65 1j1r h GLU 204 Ca 0.19 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1j1r h GLU 204 Cb 0.03 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1j1r h GLU 204 CO -0.09 0.50 -0.12 1.49 -1.00 0.00 0.00 179.01 179.79 1j1r h GLU 205 N 0.79 0.00 0.00 2.33 4.57 -1.19 -3.30 114.58 117.78 1j1r h GLU 205 Ca 0.53 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.70 1j1r h GLU 205 Cb 0.73 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1j1r h GLU 205 CO -0.35 0.12 -0.15 0.09 -1.18 0.00 0.00 179.01 177.54 1j1r n ASN 206 N -3.18 2.05 -0.20 1.04 3.02 -0.87 -4.83 115.26 112.31 1j1r n ASN 206 Ca 0.02 -3.17 -0.02 0.00 -0.03 0.00 0.00 54.58 51.37 1j1r n ASN 206 Cb 0.47 -0.43 0.08 0.00 -0.61 0.00 0.00 39.78 39.29 1j1r n ASN 206 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1j1r h TRP 207 N 0.22 0.52 -0.32 3.10 7.01 -1.57 -1.11 115.95 123.81 1j1r h TRP 207 Ca -0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 1j1r h TRP 207 Cb 1.04 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1j1r h TRP 207 CO 0.16 0.23 0.05 0.78 -2.79 0.00 0.00 178.44 176.87 1j1r h GLY 208 N 0.54 0.58 0.99 2.65 0.00 -1.89 -2.35 103.07 103.58 1j1r h GLY 208 Ca 0.27 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1j1r h GLY 208 CO -0.20 0.36 0.29 1.70 0.00 0.00 0.00 176.54 178.69 1j1r h LYS 209 N 0.36 0.66 -0.59 4.80 3.64 -1.84 -2.65 116.57 120.95 1j1r h LYS 209 Ca 0.10 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1j1r h LYS 209 Cb 0.35 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1j1r h LYS 209 CO 0.01 0.49 0.36 0.82 -2.27 0.00 0.00 179.45 178.86 1j1r h ILE 210 N 0.65 1.08 -0.19 2.00 2.04 -1.16 -2.16 117.51 119.77 1j1r h ILE 210 Ca 0.17 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1j1r h ILE 210 Cb 0.01 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1j1r h ILE 210 CO -0.03 0.13 0.10 0.28 0.00 0.00 0.00 178.15 178.63 1j1r h SER 211 N 0.72 0.24 -0.05 1.72 0.02 -1.25 -1.62 113.55 113.33 1j1r h SER 211 Ca 0.23 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1j1r h SER 211 Cb 0.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1j1r h SER 211 CO -0.09 0.27 0.03 0.74 -1.14 0.00 0.00 176.83 176.64 1j1r h THR 212 N 0.20 1.06 -0.07 -2.27 2.02 -1.44 -1.51 112.91 110.91 1j1r h THR 212 Ca 0.07 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1j1r h THR 212 Cb 0.08 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1j1r h THR 212 CO -0.01 0.05 -0.12 0.00 0.37 0.00 0.00 175.52 175.81 1j1r h ALA 213 N 0.96 -0.08 -0.51 6.16 0.00 -1.26 -1.42 119.26 123.12 1j1r h ALA 213 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j1r h ALA 213 Cb 0.05 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1j1r h ALA 213 CO -0.00 -0.59 0.32 0.82 0.00 0.00 0.00 179.25 179.80 1j1r h ILE 214 N -0.17 1.09 -0.80 0.00 2.04 -1.19 -2.14 117.51 116.34 1j1r h ILE 214 Ca 0.07 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1j1r h ILE 214 Cb 0.26 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1j1r h ILE 214 CO -0.17 0.12 0.53 -0.74 0.00 0.00 0.00 178.15 177.89 1j1r h HIS 215 N 0.65 1.01 -0.16 1.37 2.76 -1.11 -2.63 115.15 117.04 1j1r h HIS 215 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1j1r h HIS 215 Cb -0.03 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.59 1j1r h HIS 215 CO -0.05 0.64 0.00 0.09 -1.30 0.00 0.00 177.93 177.31 1j1r n ASN 216 N -4.41 1.80 -4.77 3.26 5.03 -0.55 -4.61 115.26 111.02 1j1r n ASN 216 Ca 0.09 -1.71 -0.39 0.00 0.87 0.00 0.00 54.58 53.44 1j1r n ASN 216 Cb 0.03 -0.10 -0.00 0.00 -1.02 0.00 0.00 39.78 38.69 1j1r n ASN 216 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1j1r s SER 217 N -1.62 6.22 -0.14 6.41 0.01 -0.85 -4.56 113.70 119.17 1j1r s SER 217 Ca 0.33 2.66 0.02 0.00 1.31 0.00 0.00 55.95 60.28 1j1r s SER 217 Cb 0.18 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.79 1j1r s SER 217 CO 0.28 -0.91 -0.22 -0.75 0.41 0.00 0.00 173.24 172.05 1j1r s LYS 218 N -2.31 3.02 -1.41 12.44 2.36 -0.85 -4.55 119.74 128.44 1j1r s LYS 218 Ca 0.58 -0.85 -0.13 0.00 -2.55 0.00 0.00 55.97 53.02 1j1r s LYS 218 Cb -0.38 -2.45 0.10 0.00 -1.05 0.00 0.00 37.83 34.05 1j1r s LYS 218 CO 0.49 -0.03 0.60 -1.71 1.55 0.00 0.00 175.35 176.25 1j1r n ASN 219 N 4.12 -3.50 0.00 1.43 4.05 -1.26 -1.85 115.26 118.25 1j1r n ASN 219 Ca -0.20 -0.61 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1j1r n ASN 219 Cb 0.51 -2.89 0.00 0.00 1.23 0.00 0.00 39.78 38.64 1j1r n ASN 219 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1j1r n GLY 220 N -1.24 0.63 3.41 8.20 0.00 -1.26 -5.05 105.19 109.87 1j1r n GLY 220 Ca 0.03 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1j1r n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1r s ALA 221 N -2.00 2.79 0.41 4.61 0.00 -0.77 -1.96 121.76 124.83 1j1r s ALA 221 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 1j1r s ALA 221 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 1j1r s ALA 221 CO 0.00 0.13 1.33 -0.51 0.00 0.00 0.00 175.76 176.70 1j1r s LEU 222 N 0.54 4.22 0.36 0.00 1.43 -0.82 -2.00 118.68 122.40 1j1r s LEU 222 Ca -0.06 2.70 0.17 0.00 -1.03 0.00 0.00 54.13 55.91 1j1r s LEU 222 Cb -0.15 -3.89 1.10 0.00 0.03 0.00 0.00 46.19 43.29 1j1r s LEU 222 CO 0.03 -0.88 1.69 -0.65 0.23 0.00 0.00 176.35 176.78 1j1r h PRO 223 N 2.68 0.34 -3.31 1.29 0.11 -1.80 -3.44 132.00 127.87 1j1r h PRO 223 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1j1r h PRO 223 Cb 1.25 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 1j1r h PRO 223 CO 0.63 0.23 -0.01 -1.59 -0.21 0.00 0.00 178.00 177.05 1j1r s LYS 224 N -5.60 1.16 0.27 1.05 -2.85 -1.26 -5.15 119.74 107.36 1j1r s LYS 224 Ca -0.10 -0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 1j1r s LYS 224 Cb 0.29 0.50 -0.13 0.00 -2.06 0.00 0.00 37.83 36.42 1j1r s LYS 224 CO 0.80 -0.47 1.28 -2.30 0.10 0.00 0.00 175.35 174.76 1j1r n PRO 225 N -0.27 1.85 -3.77 1.78 -0.02 -1.26 -4.90 135.00 128.41 1j1r n PRO 225 Ca -0.15 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 1j1r n PRO 225 Cb 0.64 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 1j1r n PRO 225 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j1r s LEU 226 N -0.08 3.60 -0.37 2.45 2.96 -0.13 -4.95 118.68 122.16 1j1r s LEU 226 Ca 0.64 -0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 1j1r s LEU 226 Cb -0.66 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1j1r s LEU 226 CO 0.55 -0.11 0.35 -1.61 -1.32 0.00 0.00 176.35 174.21 1j1r s GLU 227 N 1.55 3.33 0.00 1.98 2.02 -1.26 -0.85 118.70 125.47 1j1r s GLU 227 Ca 0.05 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1j1r s GLU 227 Cb -0.16 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.19 1j1r s GLU 227 CO 0.03 -0.63 0.00 1.28 0.02 0.00 0.00 175.26 175.95 1j1r n LEU 228 N 5.36 0.00 -4.03 1.80 4.77 0.55 -4.95 117.00 120.50 1j1r n LEU 228 Ca -0.09 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.67 1j1r n LEU 228 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 1j1r n LEU 228 CO 0.41 -0.03 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.45 1j1r s LYS 229 N 0.09 1.15 1.00 3.23 1.02 -1.26 -1.03 119.74 123.94 1j1r s LYS 229 Ca 0.00 -0.37 -0.14 0.00 0.02 0.00 0.00 55.97 55.48 1j1r s LYS 229 Cb 0.00 -1.05 0.19 0.00 -0.52 0.00 0.00 37.83 36.45 1j1r s LYS 229 CO 0.00 0.13 1.14 -0.80 -0.92 0.00 0.00 175.35 174.90 1j1r s ASN 230 N 0.19 2.65 0.46 2.83 -0.87 -0.01 -4.28 114.94 115.92 1j1r s ASN 230 Ca -0.04 0.88 0.17 0.00 -1.57 0.00 0.00 52.86 52.30 1j1r s ASN 230 Cb -0.10 -1.37 1.14 0.00 -0.02 0.00 0.00 41.25 40.91 1j1r s ASN 230 CO 0.01 -3.08 1.99 0.00 -2.57 0.00 0.00 177.10 173.45 1j1r h ALA 231 N -1.86 2.14 -0.34 0.60 0.00 -1.92 -0.04 119.26 117.84 1j1r h ALA 231 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j1r h ALA 231 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j1r h ALA 231 CO 0.53 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1j1r n ASP 232 N -4.45 2.09 0.00 0.00 5.75 -1.26 -3.54 116.55 115.13 1j1r n ASP 232 Ca 0.09 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1j1r n ASP 232 Cb 0.42 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1j1r n ASP 232 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j1r n GLY 233 N 1.16 1.34 3.75 6.12 0.00 -0.03 -4.99 105.19 112.54 1j1r n GLY 233 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1j1r n GLY 233 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j1r s THR 234 N -2.50 2.84 0.31 2.61 -4.23 -1.26 -4.67 115.64 108.74 1j1r s THR 234 Ca 0.00 0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 60.63 1j1r s THR 234 Cb 0.00 -2.96 -0.11 0.00 1.34 0.00 0.00 72.50 70.78 1j1r s THR 234 CO 0.00 -0.22 1.47 -0.75 -0.54 0.00 0.00 174.62 174.58 1j1r s LYS 235 N -3.94 4.20 -0.17 3.99 2.20 -1.26 -0.83 119.74 123.92 1j1r s LYS 235 Ca 0.71 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.76 1j1r s LYS 235 Cb -0.24 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1j1r s LYS 235 CO 0.42 -0.47 -0.10 -0.46 -0.36 0.00 0.00 175.35 174.38 1j1r s TRP 236 N -0.54 2.11 -0.26 4.03 -0.00 -0.20 -4.71 118.94 119.37 1j1r s TRP 236 Ca 0.56 -1.29 -0.14 0.00 -0.00 0.00 0.00 56.10 55.24 1j1r s TRP 236 Cb -0.44 -1.52 -0.04 0.00 -0.00 0.00 0.00 33.47 31.46 1j1r s TRP 236 CO 0.52 -0.67 0.34 0.42 -0.00 0.00 0.00 176.95 177.56 1j1r s ILE 237 N 1.50 5.21 -0.21 5.86 1.01 -1.26 -0.33 121.20 132.98 1j1r s ILE 237 Ca 0.02 0.52 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 1j1r s ILE 237 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1j1r s ILE 237 CO -0.09 0.20 0.07 -0.69 0.00 0.00 0.00 174.94 174.43 1j1r s VAL 238 N 1.82 4.61 -0.05 2.92 1.01 -0.03 -4.95 120.40 125.73 1j1r s VAL 238 Ca 0.14 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1j1r s VAL 238 Cb -0.15 -3.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 1j1r s VAL 238 CO 0.09 0.41 0.14 0.18 0.00 0.00 0.00 175.10 175.92 1j1r n LEU 239 N 4.11 0.00 -4.16 3.92 4.77 -1.26 -0.95 117.00 123.43 1j1r n LEU 239 Ca -0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1j1r n LEU 239 Cb 0.52 0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.61 1j1r n LEU 239 CO 0.33 0.11 -0.41 -0.13 -1.33 0.00 0.00 177.39 175.96 1j1r s ARG 240 N -2.52 0.80 0.25 3.23 0.52 -1.26 -1.95 118.95 118.02 1j1r s ARG 240 Ca -0.04 -1.11 -0.05 0.00 -0.52 0.00 0.00 55.73 54.01 1j1r s ARG 240 Cb 0.05 -0.46 0.29 0.00 0.52 0.00 0.00 34.95 35.35 1j1r s ARG 240 CO 0.42 0.07 1.83 0.28 0.02 0.00 0.00 175.30 177.92 1j1r h VAL 241 N 3.65 1.24 0.00 3.52 2.07 -1.76 -2.31 116.25 122.66 1j1r h VAL 241 Ca -0.37 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1j1r h VAL 241 Cb 1.19 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1j1r h VAL 241 CO 0.52 0.30 0.00 -2.24 0.02 0.00 0.00 177.57 176.17 1j1r h ASP 242 N 1.05 0.00 0.19 0.57 -0.00 -1.98 0.72 116.42 116.98 1j1r h ASP 242 Ca 0.25 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 57.07 1j1r h ASP 242 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.50 1j1r h ASP 242 CO -0.02 0.00 -0.80 -0.33 -0.00 0.00 0.00 179.24 178.08 1j1r h GLU 243 N 0.00 0.49 0.00 4.15 5.08 -1.81 -3.38 114.58 119.12 1j1r h GLU 243 Ca 0.00 -0.43 -0.23 0.00 -1.00 0.00 0.00 59.36 57.70 1j1r h GLU 243 Cb 0.40 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1j1r h GLU 243 CO 0.00 1.07 -2.14 1.51 -1.00 0.00 0.00 179.01 178.45 1j1r n ILE 244 N -3.83 0.88 -0.30 3.13 0.13 -1.06 -4.64 119.36 113.66 1j1r n ILE 244 Ca -0.06 -0.68 0.17 0.00 -1.10 0.00 0.00 62.75 61.09 1j1r n ILE 244 Cb 0.75 -0.35 0.43 0.00 -0.84 0.00 0.00 39.64 39.63 1j1r n ILE 244 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1j1r h LYS 245 N 0.00 0.55 -0.17 9.51 3.64 -1.03 -0.48 116.57 128.59 1j1r h LYS 245 Ca -0.35 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1j1r h LYS 245 Cb 1.76 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1j1r h LYS 245 CO 0.02 0.36 0.24 -1.35 -2.27 0.00 0.00 179.45 176.45 1j1r h PRO 246 N 0.56 0.00 0.00 1.90 0.11 -1.82 -2.89 132.00 129.86 1j1r h PRO 246 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1j1r h PRO 246 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j1r h PRO 246 CO -0.27 0.00 -0.79 -0.25 -0.21 0.00 0.00 178.00 176.48 1j1r n ASP 247 N -3.58 0.63 -4.54 -2.05 8.00 -0.19 -4.44 116.55 110.38 1j1r n ASP 247 Ca 0.01 -0.25 -0.36 0.00 0.71 0.00 0.00 54.79 54.91 1j1r n ASP 247 Cb 0.35 0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 41.87 1j1r n ASP 247 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j1r s VAL 248 N -3.11 4.68 -0.12 2.53 1.01 -1.09 0.15 120.40 124.44 1j1r s VAL 248 Ca 0.07 -0.06 0.19 0.00 0.00 0.00 0.00 61.98 62.19 1j1r s VAL 248 Cb 0.15 -3.17 -0.26 0.00 0.00 0.00 0.00 36.38 33.11 1j1r s VAL 248 CO 0.76 0.36 0.41 0.61 0.00 0.00 0.00 175.10 177.24 1j1r n GLY 249 N 4.49 -1.05 3.33 4.51 0.00 0.34 -4.55 105.19 112.26 1j1r n GLY 249 Ca -0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1j1r n GLY 249 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j1r s LEU 250 N -5.16 0.34 0.04 0.99 1.43 -0.84 -4.51 118.68 110.98 1j1r s LEU 250 Ca -0.08 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 1j1r s LEU 250 Cb 0.10 1.51 -0.06 0.00 0.03 0.00 0.00 46.19 47.78 1j1r s LEU 250 CO 0.86 -0.20 0.39 -0.76 0.23 0.00 0.00 176.35 176.87 1j1r s LEU 251 N 0.03 4.40 0.39 1.79 1.43 -0.44 -4.84 118.68 121.44 1j1r s LEU 251 Ca -0.02 0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 53.69 1j1r s LEU 251 Cb -0.03 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.32 1j1r s LEU 251 CO 0.01 0.25 1.09 0.21 0.23 0.00 0.00 176.35 178.14 1j1r s ASN 252 N -1.44 6.71 0.14 2.29 3.04 -1.26 -1.55 114.94 122.86 1j1r s ASN 252 Ca 0.28 2.17 -0.34 0.00 0.04 0.00 0.00 52.86 55.01 1j1r s ASN 252 Cb -0.15 -2.60 -0.13 0.00 -1.54 0.00 0.00 41.25 36.83 1j1r s ASN 252 CO 0.15 -0.53 1.62 0.00 -3.04 0.00 0.00 177.10 175.30 1j1r n TYR 253 N 0.08 2.34 -4.03 0.43 9.36 -1.26 -4.71 117.16 119.37 1j1r n TYR 253 Ca 0.04 0.21 -0.22 0.00 3.32 0.00 0.00 57.90 61.25 1j1r n TYR 253 Cb 0.48 -2.57 -0.17 0.00 -0.63 0.00 0.00 39.34 36.45 1j1r n TYR 253 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1j1r s VAL 254 N 1.25 0.62 0.62 2.97 1.01 -1.26 -5.03 120.40 120.58 1j1r s VAL 254 Ca 0.80 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1j1r s VAL 254 Cb -0.66 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1j1r s VAL 254 CO 0.38 0.27 1.17 0.21 0.00 0.00 0.00 175.10 177.13 1j1r s ASN 255 N 1.36 5.12 0.00 3.32 2.47 -1.26 -4.89 114.94 121.06 1j1r s ASN 255 Ca -0.04 2.24 0.00 0.00 0.42 0.00 0.00 52.86 55.49 1j1r s ASN 255 Cb -0.13 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1j1r s ASN 255 CO -0.03 -1.63 0.00 0.61 -3.72 0.00 0.00 177.10 172.33 1j1r n GLY 256 N 0.16 -3.45 3.91 1.21 0.00 -1.26 -4.99 105.19 100.77 1j1r n GLY 256 Ca 0.12 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1j1r n GLY 256 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j1r s THR 257 N -0.82 5.17 0.11 2.61 -1.32 -1.26 -5.10 115.64 115.03 1j1r s THR 257 Ca 0.00 -0.08 -0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1j1r s THR 257 Cb 0.00 -3.66 -0.03 0.00 -1.51 0.00 0.00 72.50 67.30 1j1r s THR 257 CO 0.00 -0.04 0.07 0.00 -2.21 0.00 0.00 174.62 172.44 1j1r s GLN 259 N -3.99 4.10 0.21 0.00 2.00 -1.26 -4.86 119.66 115.86 1j1r s GLN 259 Ca 0.18 2.31 0.07 0.00 -2.00 0.00 0.00 55.36 55.92 1j1r s GLN 259 Cb 0.07 -4.07 0.15 0.00 0.80 0.00 0.00 33.01 29.96 1j1r s GLN 259 CO -0.02 -0.96 1.49 0.00 -0.50 0.00 0.00 175.29 175.29 1j1r h ALA 260 N 10.22 0.74 0.00 1.58 0.00 -1.93 0.36 119.26 130.23 1j1r h ALA 260 Ca -0.43 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1j1r h ALA 260 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1j1r h ALA 260 CO 0.95 0.88 0.00 0.25 0.00 0.00 0.00 179.25 181.33