#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixj n PHE 47 N 0.00 0.41 -0.23 0.66 3.72 -1.26 -4.28 117.46 116.48 3ixj n PHE 47 Ca 0.00 -0.21 0.06 0.00 -0.05 0.00 0.00 57.45 57.26 3ixj n PHE 47 Cb 0.00 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 38.86 3ixj n PHE 47 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3ixj h VAL 48 N 3.10 1.01 0.00 -4.37 -1.51 -2.00 -1.92 116.25 110.55 3ixj h VAL 48 Ca 0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3ixj h VAL 48 Cb 0.69 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 3ixj h VAL 48 CO 0.00 0.15 0.00 -0.62 -1.23 0.00 0.00 177.57 175.87 3ixj n GLU 49 N -4.49 0.15 0.00 5.19 1.02 -1.26 -2.56 120.64 118.69 3ixj n GLU 49 Ca 0.13 0.55 0.05 0.00 -0.02 0.00 0.00 57.16 57.86 3ixj n GLU 49 Cb 0.25 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 3ixj n GLU 49 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3ixj n MET 50 N -2.22 2.81 -2.21 3.49 2.81 -0.73 -4.61 117.12 116.46 3ixj n MET 50 Ca -0.00 -0.36 -0.40 0.00 -1.81 0.00 0.00 57.70 55.13 3ixj n MET 50 Cb 0.11 -1.03 -0.02 0.00 -0.71 0.00 0.00 33.22 31.56 3ixj n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ixj s VAL 51 N -1.57 2.94 -1.80 2.03 1.01 -1.06 -3.03 120.40 118.91 3ixj s VAL 51 Ca 0.06 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3ixj s VAL 51 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3ixj s VAL 51 CO 0.31 0.20 0.00 0.47 0.00 0.00 0.00 175.10 176.07 3ixj n ASP 52 N 0.73 -5.77 -0.26 3.32 9.92 -1.21 -4.91 116.55 118.37 3ixj n ASP 52 Ca 0.01 0.04 0.15 0.00 -0.53 0.00 0.00 54.79 54.46 3ixj n ASP 52 Cb 0.43 -4.82 0.70 0.00 -0.64 0.00 0.00 41.12 36.79 3ixj n ASP 52 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3ixj n ASN 53 N -1.83 0.83 -4.74 -2.24 6.94 -0.91 -4.80 115.26 108.51 3ixj n ASN 53 Ca -0.24 -1.23 -0.36 0.00 -0.02 0.00 0.00 54.58 52.74 3ixj n ASN 53 Cb 0.68 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.02 3ixj n ASN 53 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ixj s LEU 54 N -2.04 3.91 0.44 -4.53 1.43 -0.09 -4.35 118.68 113.44 3ixj s LEU 54 Ca 0.41 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 3ixj s LEU 54 Cb 0.21 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3ixj s LEU 54 CO 0.36 0.34 0.11 -0.13 0.23 0.00 0.00 176.35 177.26 3ixj s ARG 55 N -0.65 2.00 0.00 1.70 1.81 -0.76 -2.88 118.95 120.18 3ixj s ARG 55 Ca 0.11 -2.24 0.00 0.00 -1.72 0.00 0.00 55.73 51.88 3ixj s ARG 55 Cb -0.12 -0.80 0.00 0.00 -0.45 0.00 0.00 34.95 33.58 3ixj s ARG 55 CO 0.02 -0.47 0.00 0.41 -0.68 0.00 0.00 175.30 174.59 3ixj n GLY 56 N -1.00 1.67 3.94 -3.53 0.00 -1.02 -1.64 105.19 103.61 3ixj n GLY 56 Ca -0.09 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 3ixj n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixj s LYS 57 N -2.00 3.50 -0.20 1.61 -0.14 -1.26 -0.34 119.74 120.91 3ixj s LYS 57 Ca 0.00 -0.37 -0.28 0.00 -1.36 0.00 0.00 55.97 53.96 3ixj s LYS 57 Cb 0.00 -2.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 3ixj s LYS 57 CO 0.00 0.28 2.09 0.45 -0.76 0.00 0.00 175.35 177.41 3ixj s SER 58 N -3.65 5.70 0.00 2.83 0.15 -1.26 -2.27 113.70 115.19 3ixj s SER 58 Ca 0.39 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.92 3ixj s SER 58 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3ixj s SER 58 CO 0.32 -1.77 0.00 0.61 1.20 0.00 0.00 173.24 173.60 3ixj n GLY 59 N 5.50 0.57 0.00 9.45 0.00 -1.26 -4.93 105.19 114.51 3ixj n GLY 59 Ca 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3ixj n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ixj n GLN 60 N -2.74 0.34 0.00 1.61 6.02 -0.96 -5.08 117.38 116.56 3ixj n GLN 60 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 3ixj n GLN 60 Cb 0.00 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.38 3ixj n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixj n GLY 61 N 0.16 3.57 3.70 1.08 0.00 -1.26 -4.89 105.19 107.54 3ixj n GLY 61 Ca 0.00 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 3ixj n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ixj s TYR 62 N -1.29 3.46 0.11 1.61 1.51 -1.26 -4.30 117.35 117.19 3ixj s TYR 62 Ca 0.00 0.87 0.06 0.00 -1.01 0.00 0.00 57.07 57.00 3ixj s TYR 62 Cb 0.00 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 3ixj s TYR 62 CO 0.00 0.04 -0.16 1.52 -1.11 0.00 0.00 175.55 175.84 3ixj s TYR 63 N 1.10 1.48 0.01 2.71 -0.85 -0.65 -1.19 117.35 119.96 3ixj s TYR 63 Ca 0.26 -0.50 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 3ixj s TYR 63 Cb -0.15 -0.79 -0.03 0.00 0.38 0.00 0.00 41.96 41.37 3ixj s TYR 63 CO 0.11 0.16 -0.18 0.54 -1.52 0.00 0.00 175.55 174.65 3ixj s VAL 64 N -1.79 2.74 0.09 -3.49 0.11 0.26 -1.83 120.40 116.48 3ixj s VAL 64 Ca 0.07 -1.07 -0.31 0.00 -2.93 0.00 0.00 61.98 57.75 3ixj s VAL 64 Cb -0.07 -2.11 -0.07 0.00 -1.53 0.00 0.00 36.38 32.60 3ixj s VAL 64 CO 0.04 0.43 1.35 -0.70 -3.33 0.00 0.00 175.10 172.89 3ixj s GLU 65 N -1.15 4.34 0.14 1.54 2.12 -1.26 -0.32 118.70 124.11 3ixj s GLU 65 Ca 0.13 1.99 0.03 0.00 0.36 0.00 0.00 54.97 57.49 3ixj s GLU 65 Cb -0.10 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 3ixj s GLU 65 CO 0.03 -0.41 -0.08 -1.64 -0.54 0.00 0.00 175.26 172.62 3ixj s MET 66 N 1.26 1.02 -0.02 4.30 -1.94 0.11 -4.04 119.30 119.99 3ixj s MET 66 Ca 0.63 -1.44 0.07 0.00 -1.71 0.00 0.00 55.69 53.24 3ixj s MET 66 Cb -0.34 -0.47 -0.02 0.00 2.01 0.00 0.00 34.83 36.00 3ixj s MET 66 CO 0.29 0.02 -0.23 0.95 -0.01 0.00 0.00 175.02 176.05 3ixj s THR 67 N -3.44 1.83 -0.06 2.05 -4.23 0.06 -0.33 115.64 111.51 3ixj s THR 67 Ca 0.17 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 3ixj s THR 67 Cb 0.04 -1.52 -0.00 0.00 1.34 0.00 0.00 72.50 72.36 3ixj s THR 67 CO -0.00 0.52 -0.19 0.68 -0.54 0.00 0.00 174.62 175.09 3ixj s VAL 68 N -0.52 1.58 0.00 2.29 -7.23 0.04 -2.05 120.40 114.52 3ixj s VAL 68 Ca 0.08 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3ixj s VAL 68 Cb -0.09 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.48 3ixj s VAL 68 CO -0.01 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 3ixj n GLY 69 N 3.29 -1.09 3.01 2.32 0.00 0.05 -1.10 105.19 111.67 3ixj n GLY 69 Ca -0.19 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 3ixj n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixj s SER 70 N -3.66 3.32 0.58 1.61 0.01 -1.26 -2.23 113.70 112.06 3ixj s SER 70 Ca 0.00 -0.83 -0.19 0.00 1.31 0.00 0.00 55.95 56.24 3ixj s SER 70 Cb 0.00 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 3ixj s SER 70 CO 0.00 -0.12 1.16 -2.16 0.41 0.00 0.00 173.24 172.53 3ixj s PRO 71 N 1.38 3.10 -0.01 12.44 0.04 -1.26 -1.01 135.00 149.69 3ixj s PRO 71 Ca -0.00 1.68 -0.34 0.00 0.04 0.00 0.00 61.00 62.38 3ixj s PRO 71 Cb -0.16 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 3ixj s PRO 71 CO -0.09 -1.06 1.82 -0.35 0.04 0.00 0.00 177.00 177.36 3ixj n PRO 72 N -1.58 2.28 -3.59 0.56 -0.04 -0.95 -4.92 135.00 126.76 3ixj n PRO 72 Ca 0.12 0.83 -0.39 0.00 -0.04 0.00 0.00 63.50 64.03 3ixj n PRO 72 Cb 0.50 -2.68 -0.11 0.00 -0.04 0.00 0.00 33.50 31.18 3ixj n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ixj s GLN 73 N 3.36 3.62 -0.03 0.54 -0.21 -0.26 -4.87 119.66 121.81 3ixj s GLN 73 Ca 0.89 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.43 3ixj s GLN 73 Cb -0.65 -3.67 -0.03 0.00 1.00 0.00 0.00 33.01 29.66 3ixj s GLN 73 CO 0.47 -0.33 1.10 0.99 -2.12 0.00 0.00 175.29 175.40 3ixj s THR 74 N 1.70 4.48 0.02 -0.19 2.01 -1.26 -0.78 115.64 121.62 3ixj s THR 74 Ca 0.06 1.78 0.01 0.00 0.31 0.00 0.00 61.69 63.84 3ixj s THR 74 Cb -0.17 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 3ixj s THR 74 CO 0.09 0.06 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.29 3ixj s LEU 75 N 1.69 2.15 -0.19 4.42 1.43 0.55 -4.97 118.68 123.76 3ixj s LEU 75 Ca 0.54 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 3ixj s LEU 75 Cb -0.23 -0.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 3ixj s LEU 75 CO 0.24 -0.16 0.60 0.20 0.23 0.00 0.00 176.35 177.46 3ixj s ASN 76 N -0.92 6.67 -0.17 2.29 0.02 -1.26 -0.71 114.94 120.86 3ixj s ASN 76 Ca -0.09 0.81 0.01 0.00 -1.02 0.00 0.00 52.86 52.57 3ixj s ASN 76 Cb -0.06 -2.34 0.01 0.00 0.02 0.00 0.00 41.25 38.88 3ixj s ASN 76 CO -0.00 -0.24 -0.17 -0.63 0.02 0.00 0.00 177.10 176.07 3ixj s ILE 77 N 1.76 2.37 0.14 0.60 -1.09 0.57 -0.39 121.20 125.15 3ixj s ILE 77 Ca 0.28 -0.86 -0.31 0.00 -2.23 0.00 0.00 60.65 57.53 3ixj s ILE 77 Cb -0.16 -2.00 -0.10 0.00 -1.58 0.00 0.00 42.46 38.63 3ixj s ILE 77 CO 0.11 0.52 1.70 -0.22 -1.23 0.00 0.00 174.94 175.82 3ixj s LEU 78 N 1.06 4.38 -0.42 2.97 2.96 0.62 -0.58 118.68 129.67 3ixj s LEU 78 Ca -0.01 2.68 -0.28 0.00 -0.22 0.00 0.00 54.13 56.30 3ixj s LEU 78 Cb -0.14 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.99 3ixj s LEU 78 CO -0.06 -0.93 1.07 -0.69 -1.32 0.00 0.00 176.35 174.43 3ixj s VAL 79 N 2.04 4.36 -0.27 1.68 1.01 -0.33 0.85 120.40 129.74 3ixj s VAL 79 Ca 0.75 1.30 0.00 0.00 0.00 0.00 0.00 61.98 64.04 3ixj s VAL 79 Cb -0.45 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.51 3ixj s VAL 79 CO 0.33 -0.80 0.03 -0.62 0.00 0.00 0.00 175.10 174.04 3ixj s ASP 80 N 2.16 3.87 0.00 3.32 2.15 -0.53 -3.57 116.67 124.07 3ixj s ASP 80 Ca 0.45 -1.40 0.30 0.00 0.43 0.00 0.00 52.55 52.32 3ixj s ASP 80 Cb -0.09 -1.03 1.43 0.00 -0.30 0.00 0.00 42.92 42.93 3ixj s ASP 80 CO 0.25 -0.33 1.96 0.35 -0.17 0.00 0.00 175.17 177.23 3ixj n THR 81 N 4.74 0.00 0.12 1.71 -2.24 -1.26 -0.54 114.28 116.81 3ixj n THR 81 Ca -0.06 -0.14 0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3ixj n THR 81 Cb 0.44 0.06 0.27 0.00 -2.10 0.00 0.00 70.33 69.00 3ixj n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixj n GLY 82 N 1.10 1.80 3.58 3.38 0.00 -1.26 -4.21 105.19 109.57 3ixj n GLY 82 Ca 0.21 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 3ixj n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ixj s SER 83 N -1.08 0.68 0.00 1.61 1.04 -1.25 -5.00 113.70 109.70 3ixj s SER 83 Ca 0.41 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3ixj s SER 83 Cb 0.21 0.72 0.00 0.00 0.10 0.00 0.00 66.02 67.05 3ixj s SER 83 CO 0.28 -1.41 0.25 -1.20 0.98 0.00 0.00 173.24 172.15 3ixj n SER 84 N -1.41 0.47 -4.80 7.02 7.64 -1.26 -0.30 113.62 120.97 3ixj n SER 84 Ca -0.02 -1.03 -0.37 0.00 1.01 0.00 0.00 58.87 58.47 3ixj n SER 84 Cb 0.61 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 3ixj n SER 84 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ixj s ASN 85 N -0.03 6.46 -0.38 6.43 -0.87 -1.26 -4.45 114.94 120.83 3ixj s ASN 85 Ca 0.00 0.54 -0.18 0.00 -1.57 0.00 0.00 52.86 51.64 3ixj s ASN 85 Cb 0.00 -2.15 0.01 0.00 -0.02 0.00 0.00 41.25 39.09 3ixj s ASN 85 CO 0.00 0.25 0.52 0.12 -2.57 0.00 0.00 177.10 175.42 3ixj s PHE 86 N -0.31 3.16 0.05 2.20 5.36 -1.26 -1.49 117.98 125.68 3ixj s PHE 86 Ca 0.16 0.04 0.04 0.00 -0.96 0.00 0.00 56.93 56.21 3ixj s PHE 86 Cb -0.13 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.53 3ixj s PHE 86 CO 0.05 -0.63 -0.11 0.00 -1.46 0.00 0.00 175.22 173.07 3ixj s ALA 87 N 2.43 0.89 0.03 11.12 0.00 -0.76 -1.47 121.76 133.99 3ixj s ALA 87 Ca 0.18 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3ixj s ALA 87 Cb -0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3ixj s ALA 87 CO 0.14 0.10 -0.06 0.14 0.00 0.00 0.00 175.76 176.08 3ixj s VAL 88 N -1.15 0.42 0.20 0.00 -7.23 -0.38 -0.70 120.40 111.55 3ixj s VAL 88 Ca -0.04 -0.81 -0.32 0.00 -1.81 0.00 0.00 61.98 59.00 3ixj s VAL 88 Cb -0.09 -0.47 -0.12 0.00 0.56 0.00 0.00 36.38 36.27 3ixj s VAL 88 CO 0.01 -0.27 1.70 -0.83 -0.31 0.00 0.00 175.10 175.40 3ixj s GLY 89 N -1.17 1.26 -0.04 2.32 0.00 0.04 0.08 107.32 109.82 3ixj s GLY 89 Ca -0.08 1.55 0.05 0.00 0.00 0.00 0.00 44.72 46.25 3ixj s GLY 89 CO 0.00 2.84 0.94 0.00 0.00 0.00 0.00 173.10 176.88 3ixj n ALA 90 N 4.01 1.86 -2.93 3.20 0.00 -0.40 -0.29 120.51 125.96 3ixj n ALA 90 Ca 0.16 -1.35 -0.10 0.00 0.00 0.00 0.00 53.44 52.14 3ixj n ALA 90 Cb 0.36 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 3ixj n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ixj s ALA 91 N -1.12 -0.82 0.36 0.00 0.00 -1.22 -4.76 121.76 114.21 3ixj s ALA 91 Ca 0.09 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 3ixj s ALA 91 Cb 0.08 0.65 -0.11 0.00 0.00 0.00 0.00 23.12 23.74 3ixj s ALA 91 CO 0.01 -0.62 1.49 -2.30 0.00 0.00 0.00 175.76 174.34 3ixj n PRO 92 N -0.18 2.64 -3.85 0.00 -0.02 -1.26 -4.90 135.00 127.43 3ixj n PRO 92 Ca -0.16 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3ixj n PRO 92 Cb 0.63 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 3ixj n PRO 92 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ixj s HIS 93 N -0.96 -0.07 0.65 6.00 2.46 -1.26 -5.03 115.29 117.07 3ixj s HIS 93 Ca 0.55 0.18 0.34 0.00 0.47 0.00 0.00 55.06 56.59 3ixj s HIS 93 Cb -0.49 0.02 1.83 0.00 -0.13 0.00 0.00 32.58 33.81 3ixj s HIS 93 CO 0.62 -0.08 2.03 -1.00 -2.47 0.00 0.00 174.74 173.84 3ixj h PRO 94 N 5.77 0.00 -0.01 2.88 0.13 -2.03 -0.50 132.00 138.24 3ixj h PRO 94 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ixj h PRO 94 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ixj h PRO 94 CO 0.44 0.00 -0.63 1.19 -0.23 0.00 0.00 178.00 178.77 3ixj n PHE 95 N -2.92 0.00 -3.60 1.56 3.72 -1.26 -4.94 117.46 110.02 3ixj n PHE 95 Ca -0.02 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 3ixj n PHE 95 Cb 0.29 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.76 3ixj n PHE 95 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ixj s LEU 96 N -2.57 4.23 0.17 4.37 1.43 -0.20 -4.66 118.68 121.45 3ixj s LEU 96 Ca 0.13 0.41 0.23 0.00 -1.03 0.00 0.00 54.13 53.87 3ixj s LEU 96 Cb 0.16 -2.28 0.12 0.00 0.03 0.00 0.00 46.19 44.22 3ixj s LEU 96 CO 0.63 0.12 1.14 0.45 0.23 0.00 0.00 176.35 178.93 3ixj h HIS 97 N 6.69 0.00 -3.15 0.29 3.86 -1.92 -3.41 115.15 117.51 3ixj h HIS 97 Ca -0.41 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.76 3ixj h HIS 97 Cb 1.16 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.50 3ixj h HIS 97 CO 0.59 0.00 0.07 -0.98 0.86 0.00 0.00 177.93 178.47 3ixj s ARG 98 N -3.28 1.16 0.14 2.45 1.70 -1.26 -5.15 118.95 114.70 3ixj s ARG 98 Ca 0.02 -0.55 -0.18 0.00 -0.47 0.00 0.00 55.73 54.55 3ixj s ARG 98 Cb 0.11 0.52 0.04 0.00 -0.57 0.00 0.00 34.95 35.06 3ixj s ARG 98 CO 0.77 -0.48 0.46 1.52 -1.08 0.00 0.00 175.30 176.49 3ixj s TYR 99 N -3.63 -0.28 -0.09 5.89 -0.85 -1.26 -4.92 117.35 112.21 3ixj s TYR 99 Ca 0.01 -0.01 -0.29 0.00 -0.52 0.00 0.00 57.07 56.26 3ixj s TYR 99 Cb 0.00 0.34 -0.05 0.00 0.38 0.00 0.00 41.96 42.63 3ixj s TYR 99 CO -0.11 -0.75 1.66 -0.47 -1.52 0.00 0.00 175.55 174.36 3ixj s TYR 100 N -3.79 1.99 -0.67 -3.49 5.04 0.61 -4.94 117.35 112.10 3ixj s TYR 100 Ca 0.03 0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.85 3ixj s TYR 100 Cb 0.01 -3.92 0.17 0.00 0.35 0.00 0.00 41.96 38.57 3ixj s TYR 100 CO -0.12 -3.67 0.54 -0.65 -1.34 0.00 0.00 175.55 170.31 3ixj s GLN 101 N 4.19 2.92 0.40 4.97 -0.21 -1.26 -4.42 119.66 126.25 3ixj s GLN 101 Ca 0.73 -2.36 0.09 0.00 0.02 0.00 0.00 55.36 53.84 3ixj s GLN 101 Cb -0.32 -4.02 0.86 0.00 1.00 0.00 0.00 33.01 30.54 3ixj s GLN 101 CO 0.29 -1.22 2.00 0.00 -2.12 0.00 0.00 175.29 174.25 3ixj h ARG 102 N 7.57 0.57 0.00 2.91 3.08 -1.93 -1.62 114.38 124.96 3ixj h ARG 102 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3ixj h ARG 102 Cb 1.01 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 3ixj h ARG 102 CO 0.76 0.38 -0.03 -0.56 -1.07 0.00 0.00 179.97 179.44 3ixj h GLN 103 N 0.59 0.00 -0.23 0.04 -0.00 -2.01 -2.44 115.11 111.06 3ixj h GLN 103 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 3ixj h GLN 103 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 3ixj h GLN 103 CO -0.07 0.03 0.00 1.28 -0.00 0.00 0.00 178.83 180.08 3ixj n LEU 104 N -3.21 1.93 -4.29 0.06 4.77 -0.61 -4.90 117.00 110.75 3ixj n LEU 104 Ca -0.01 -0.84 -0.32 0.00 -0.03 0.00 0.00 56.01 54.81 3ixj n LEU 104 Cb 0.22 -0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 41.01 3ixj n LEU 104 CO 0.26 0.42 -0.52 -0.55 -1.33 0.00 0.00 177.39 175.67 3ixj s SER 105 N -1.44 3.42 0.25 -1.43 0.15 -0.92 -4.29 113.70 109.43 3ixj s SER 105 Ca 0.32 -0.46 0.23 0.00 0.70 0.00 0.00 55.95 56.74 3ixj s SER 105 Cb 0.17 -1.30 0.24 0.00 -1.71 0.00 0.00 66.02 63.43 3ixj s SER 105 CO 0.25 0.19 1.33 0.77 1.20 0.00 0.00 173.24 176.98 3ixj h SER 106 N 6.46 0.00 -0.02 5.45 4.64 -1.38 -3.31 113.55 125.40 3ixj h SER 106 Ca -0.26 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3ixj h SER 106 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ixj h SER 106 CO 0.50 0.03 -0.40 0.35 -0.87 0.00 0.00 176.83 176.43 3ixj n THR 107 N -2.62 0.00 -1.89 2.95 -2.24 -1.26 -4.95 114.28 104.26 3ixj n THR 107 Ca 0.02 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 3ixj n THR 107 Cb 0.51 1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 3ixj n THR 107 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ixj s TYR 108 N -2.38 2.93 -0.08 4.78 5.04 -1.25 -4.58 117.35 121.81 3ixj s TYR 108 Ca 0.20 0.80 0.02 0.00 -2.44 0.00 0.00 57.07 55.65 3ixj s TYR 108 Cb 0.18 -3.95 0.01 0.00 0.35 0.00 0.00 41.96 38.55 3ixj s TYR 108 CO 0.52 -3.27 -0.13 1.03 -1.34 0.00 0.00 175.55 172.36 3ixj s ARG 109 N 0.03 1.89 0.10 4.97 0.52 -0.20 -5.01 118.95 121.24 3ixj s ARG 109 Ca 0.64 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 3ixj s ARG 109 Cb -0.45 -1.57 -0.06 0.00 0.52 0.00 0.00 34.95 33.39 3ixj s ARG 109 CO 0.41 0.00 1.01 0.34 0.02 0.00 0.00 175.30 177.08 3ixj s ASP 110 N 0.77 7.41 0.00 0.23 -1.08 -1.26 -0.94 116.67 121.79 3ixj s ASP 110 Ca -0.12 1.84 0.24 0.00 -0.52 0.00 0.00 52.55 53.99 3ixj s ASP 110 Cb -0.16 -2.59 0.32 0.00 -1.46 0.00 0.00 42.92 39.03 3ixj s ASP 110 CO 0.02 -0.15 1.29 0.18 0.52 0.00 0.00 175.17 177.03 3ixj n LEU 111 N 2.97 1.59 -3.79 -1.34 4.77 -0.69 -4.91 117.00 115.60 3ixj n LEU 111 Ca 0.03 -0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 55.20 3ixj n LEU 111 Cb 0.49 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3ixj n LEU 111 CO 0.52 0.30 -0.14 0.54 -1.33 0.00 0.00 177.39 177.28 3ixj n ARG 112 N -0.31 -2.81 -3.67 3.23 1.74 -1.25 -4.98 116.66 108.60 3ixj n ARG 112 Ca 0.10 0.47 -0.09 0.00 -0.77 0.00 0.00 57.85 57.57 3ixj n ARG 112 Cb 0.42 -4.52 -0.09 0.00 -1.02 0.00 0.00 32.46 27.25 3ixj n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ixj s LYS 113 N -6.19 0.49 0.40 5.56 2.20 -1.26 -5.05 119.74 115.89 3ixj s LYS 113 Ca 0.19 0.96 -0.09 0.00 -0.36 0.00 0.00 55.97 56.67 3ixj s LYS 113 Cb -0.07 0.08 -0.06 0.00 -1.51 0.00 0.00 37.83 36.28 3ixj s LYS 113 CO 0.86 -0.16 0.74 0.20 -0.36 0.00 0.00 175.35 176.62 3ixj s GLY 114 N 1.61 1.85 -0.07 5.54 0.00 -1.26 -0.64 107.32 114.34 3ixj s GLY 114 Ca -0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.25 3ixj s GLY 114 CO -0.15 -0.14 0.20 0.54 0.00 0.00 0.00 173.10 173.55 3ixj s VAL 115 N -2.39 0.00 -0.13 1.40 0.11 -0.66 -4.87 120.40 113.86 3ixj s VAL 115 Ca 0.49 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 3ixj s VAL 115 Cb -0.10 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 3ixj s VAL 115 CO 0.33 -0.00 -0.14 -0.47 -3.33 0.00 0.00 175.10 171.49 3ixj s TYR 116 N 0.11 2.79 -0.23 1.54 6.14 -1.26 -0.85 117.35 125.58 3ixj s TYR 116 Ca -0.00 -0.71 0.01 0.00 0.64 0.00 0.00 57.07 57.01 3ixj s TYR 116 Cb -0.01 -1.84 0.06 0.00 0.42 0.00 0.00 41.96 40.59 3ixj s TYR 116 CO 0.00 -0.25 -0.05 0.08 0.64 0.00 0.00 175.55 175.97 3ixj s VAL 117 N 0.38 1.50 0.16 3.14 1.01 -0.36 -4.89 120.40 121.33 3ixj s VAL 117 Ca -0.11 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 3ixj s VAL 117 Cb -0.16 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 3ixj s VAL 117 CO 0.06 -0.10 0.56 -2.16 0.00 0.00 0.00 175.10 173.45 3ixj s PRO 118 N 1.41 3.97 0.38 2.72 0.04 -1.26 -2.15 135.00 140.11 3ixj s PRO 118 Ca -0.06 0.49 0.04 0.00 0.04 0.00 0.00 61.00 61.51 3ixj s PRO 118 Cb -0.19 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3ixj s PRO 118 CO -0.06 0.46 0.11 0.71 0.04 0.00 0.00 177.00 178.26 3ixj s TYR 119 N -1.50 1.81 0.22 0.56 2.02 0.50 -4.99 117.35 115.96 3ixj s TYR 119 Ca 0.39 -1.20 -0.08 0.00 -0.37 0.00 0.00 57.07 55.80 3ixj s TYR 119 Cb -0.15 -1.17 0.17 0.00 -0.40 0.00 0.00 41.96 40.41 3ixj s TYR 119 CO 0.19 -0.23 1.82 1.15 -1.57 0.00 0.00 175.55 176.91 3ixj h THR 120 N 1.89 1.25 0.16 -0.71 2.02 -2.00 -3.31 112.91 112.21 3ixj h THR 120 Ca -0.37 -0.69 -0.32 0.00 0.77 0.00 0.00 66.41 65.80 3ixj h THR 120 Cb 1.27 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3ixj h THR 120 CO 0.60 0.30 -1.60 -0.61 0.37 0.00 0.00 175.52 174.58 3ixj h GLN 121 N 1.16 0.33 0.00 6.66 5.75 -1.97 -3.50 115.11 123.54 3ixj h GLN 121 Ca 0.28 -0.56 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3ixj h GLN 121 Cb 0.10 0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3ixj h GLN 121 CO -0.04 1.27 0.00 0.41 -2.65 0.00 0.00 178.83 177.82 3ixj n GLY 122 N 1.81 2.95 3.46 2.39 0.00 -1.25 -4.85 105.19 109.70 3ixj n GLY 122 Ca -0.25 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 3ixj n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixj s LYS 123 N -0.02 1.17 0.14 1.61 -2.85 -0.79 -0.37 119.74 118.64 3ixj s LYS 123 Ca 0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 55.97 54.74 3ixj s LYS 123 Cb 0.00 0.54 -0.00 0.00 -2.06 0.00 0.00 37.83 36.31 3ixj s LYS 123 CO 0.00 -0.45 0.26 1.67 0.10 0.00 0.00 175.35 176.94 3ixj s TRP 124 N -2.56 0.30 -0.02 1.78 1.48 -0.92 -0.74 118.94 118.26 3ixj s TRP 124 Ca -0.05 -0.68 0.03 0.00 -1.06 0.00 0.00 56.10 54.34 3ixj s TRP 124 Cb -0.01 -0.04 -0.00 0.00 -1.16 0.00 0.00 33.47 32.26 3ixj s TRP 124 CO -0.02 -0.67 -0.11 -2.00 -4.06 0.00 0.00 176.95 170.08 3ixj s GLU 125 N -3.93 1.03 0.09 3.25 2.12 0.78 -1.22 118.70 120.82 3ixj s GLU 125 Ca 0.13 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 3ixj s GLU 125 Cb 0.04 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.45 3ixj s GLU 125 CO -0.04 0.21 0.13 0.41 -0.54 0.00 0.00 175.26 175.43 3ixj n GLY 126 N 2.98 2.84 3.18 -1.50 0.00 -0.03 -1.33 105.19 111.34 3ixj n GLY 126 Ca -0.16 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 3ixj n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ixj s GLU 127 N -2.20 2.87 0.38 1.61 2.02 -0.24 -1.65 118.70 121.50 3ixj s GLU 127 Ca 0.07 -0.81 -0.24 0.00 0.02 0.00 0.00 54.97 54.01 3ixj s GLU 127 Cb -0.00 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 3ixj s GLU 127 CO 0.05 0.10 1.03 -0.51 0.02 0.00 0.00 175.26 175.95 3ixj s LEU 128 N 0.53 4.17 0.07 1.80 1.43 0.18 -0.73 118.68 126.14 3ixj s LEU 128 Ca -0.15 1.99 -0.26 0.00 -1.03 0.00 0.00 54.13 54.67 3ixj s LEU 128 Cb -0.17 -4.16 0.09 0.00 0.03 0.00 0.00 46.19 41.98 3ixj s LEU 128 CO 0.05 -0.40 1.16 -0.83 0.23 0.00 0.00 176.35 176.56 3ixj s GLY 129 N -1.60 -0.15 0.08 -3.19 0.00 -0.77 -1.70 107.32 99.99 3ixj s GLY 129 Ca 0.56 0.11 0.07 0.00 0.00 0.00 0.00 44.72 45.47 3ixj s GLY 129 CO 0.26 2.26 -0.19 -0.51 0.00 0.00 0.00 173.10 174.93 3ixj s THR 130 N -2.37 1.51 0.27 0.90 -4.23 -0.12 0.06 115.64 111.66 3ixj s THR 130 Ca 0.20 -1.36 -0.20 0.00 -1.18 0.00 0.00 61.69 59.15 3ixj s THR 130 Cb 0.00 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.49 3ixj s THR 130 CO 0.01 -0.03 0.70 -0.62 -0.54 0.00 0.00 174.62 174.13 3ixj s ASP 131 N -1.64 -0.26 -0.02 3.99 -1.08 -1.01 -1.04 116.67 115.62 3ixj s ASP 131 Ca 0.04 -0.62 -0.30 0.00 -0.52 0.00 0.00 52.55 51.16 3ixj s ASP 131 Cb -0.09 0.71 -0.03 0.00 -1.46 0.00 0.00 42.92 42.05 3ixj s ASP 131 CO 0.03 -1.32 1.04 -0.76 0.52 0.00 0.00 175.17 174.68 3ixj s LEU 132 N -2.92 4.33 -0.02 -1.34 1.43 -1.26 -1.85 118.68 117.05 3ixj s LEU 132 Ca 0.12 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 54.95 3ixj s LEU 132 Cb -0.05 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 3ixj s LEU 132 CO 0.06 -0.37 -0.17 -0.69 0.23 0.00 0.00 176.35 175.42 3ixj s VAL 133 N 1.38 1.33 0.07 -1.59 1.01 0.59 -0.77 120.40 122.41 3ixj s VAL 133 Ca 0.52 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 3ixj s VAL 133 Cb -0.22 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3ixj s VAL 133 CO 0.25 0.38 0.08 -0.94 0.00 0.00 0.00 175.10 174.87 3ixj s SER 134 N -0.25 0.31 -0.35 3.32 1.04 -0.87 -1.59 113.70 115.31 3ixj s SER 134 Ca 0.03 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 3ixj s SER 134 Cb -0.08 0.27 0.08 0.00 0.10 0.00 0.00 66.02 66.39 3ixj s SER 134 CO 0.00 -0.66 0.08 -0.63 0.98 0.00 0.00 173.24 173.02 3ixj s ILE 135 N -3.84 2.98 0.30 -1.02 1.01 -1.26 -0.76 121.20 118.60 3ixj s ILE 135 Ca 0.06 -1.79 0.05 0.00 0.00 0.00 0.00 60.65 58.97 3ixj s ILE 135 Cb 0.06 -2.91 0.30 0.00 0.01 0.00 0.00 42.46 39.92 3ixj s ILE 135 CO -0.10 -0.40 1.69 -0.65 0.00 0.00 0.00 174.94 175.48 3ixj h PRO 136 N 7.96 0.39 -0.76 2.79 0.11 -1.91 -0.51 132.00 140.07 3ixj h PRO 136 Ca -0.15 -0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.45 3ixj h PRO 136 Cb 1.05 -0.09 -0.27 0.00 0.11 0.00 0.00 31.00 31.80 3ixj h PRO 136 CO 0.59 0.26 0.21 0.72 -0.21 0.00 0.00 178.00 179.57 3ixj n HIS 137 N -5.04 2.49 -2.19 0.65 8.25 -1.26 -4.95 115.22 113.18 3ixj n HIS 137 Ca 0.24 -2.25 0.00 0.00 -0.26 0.00 0.00 57.72 55.45 3ixj n HIS 137 Cb 0.70 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3ixj n HIS 137 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ixj n GLY 138 N -0.98 5.56 3.77 -1.41 0.00 -0.20 -4.20 105.19 107.73 3ixj n GLY 138 Ca 0.50 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 3ixj n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ixj s PRO 139 N 1.81 3.36 -1.38 1.61 0.04 -1.26 -4.86 135.00 134.31 3ixj s PRO 139 Ca 0.00 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 3ixj s PRO 139 Cb 0.00 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.58 3ixj s PRO 139 CO 0.00 -0.85 2.01 -1.71 0.04 0.00 0.00 177.00 176.49 3ixj n ASN 140 N -1.26 4.37 -3.92 6.66 5.15 -1.26 -4.64 115.26 120.35 3ixj n ASN 140 Ca 0.11 -2.89 -0.09 0.00 -0.60 0.00 0.00 54.58 51.12 3ixj n ASN 140 Cb 0.51 -1.67 -0.08 0.00 -0.53 0.00 0.00 39.78 38.01 3ixj n ASN 140 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ixj s VAL 141 N 3.25 0.15 -0.06 3.44 -7.23 -1.26 -5.16 120.40 113.53 3ixj s VAL 141 Ca 0.49 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 3ixj s VAL 141 Cb 0.10 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.60 3ixj s VAL 141 CO -0.02 -0.67 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.15 3ixj s THR 142 N -3.89 0.64 0.16 5.32 2.01 -1.26 -4.47 115.64 114.16 3ixj s THR 142 Ca 0.07 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.01 3ixj s THR 142 Cb 0.05 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3ixj s THR 142 CO -0.09 0.26 -0.20 0.68 -0.69 0.00 0.00 174.62 174.58 3ixj s VAL 143 N 1.05 1.95 -0.28 3.82 -7.23 -0.62 -4.93 120.40 114.16 3ixj s VAL 143 Ca -0.09 -1.89 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 3ixj s VAL 143 Cb -0.14 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 3ixj s VAL 143 CO -0.01 -0.22 0.60 -0.60 -0.31 0.00 0.00 175.10 174.56 3ixj s ARG 144 N -2.63 4.00 0.10 4.82 3.52 -1.26 -0.30 118.95 127.20 3ixj s ARG 144 Ca 0.16 0.37 0.04 0.00 -0.13 0.00 0.00 55.73 56.17 3ixj s ARG 144 Cb -0.07 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 3ixj s ARG 144 CO 0.07 -0.47 -0.11 0.00 -0.81 0.00 0.00 175.30 173.98 3ixj s ALA 145 N 2.50 1.23 0.27 6.12 0.00 -0.77 -4.93 121.76 126.17 3ixj s ALA 145 Ca 0.24 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 3ixj s ALA 145 Cb -0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.85 3ixj s ALA 145 CO 0.10 0.01 1.60 -0.80 0.00 0.00 0.00 175.76 176.68 3ixj s ASN 146 N -2.43 6.41 -0.07 0.00 0.01 -1.26 -2.39 114.94 115.21 3ixj s ASN 146 Ca 0.06 2.89 0.00 0.00 -0.71 0.00 0.00 52.86 55.11 3ixj s ASN 146 Cb -0.04 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.02 3ixj s ASN 146 CO 0.01 -0.90 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.01 3ixj s ILE 147 N 0.28 0.73 -0.36 0.60 1.01 0.11 -4.63 121.20 118.94 3ixj s ILE 147 Ca 0.65 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.95 3ixj s ILE 147 Cb -0.47 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 3ixj s ILE 147 CO 0.44 0.29 0.50 0.00 0.00 0.00 0.00 174.94 176.17 3ixj s ALA 148 N 1.30 3.47 -0.64 9.38 0.00 -0.54 -1.85 121.76 132.87 3ixj s ALA 148 Ca -0.04 -1.08 -0.24 0.00 0.00 0.00 0.00 51.96 50.60 3ixj s ALA 148 Cb -0.14 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.02 3ixj s ALA 148 CO -0.02 -1.26 1.01 0.00 0.00 0.00 0.00 175.76 175.48 3ixj s ALA 149 N 2.36 3.07 -0.09 0.00 0.00 0.10 -1.25 121.76 125.94 3ixj s ALA 149 Ca 0.18 -1.62 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 3ixj s ALA 149 Cb -0.16 -3.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 3ixj s ALA 149 CO 0.13 -2.76 1.69 0.42 0.00 0.00 0.00 175.76 175.25 3ixj s ILE 150 N 4.29 3.54 -0.18 0.00 1.01 0.11 -1.08 121.20 128.89 3ixj s ILE 150 Ca 0.26 0.64 0.08 0.00 0.00 0.00 0.00 60.65 61.64 3ixj s ILE 150 Cb -0.14 -3.46 -0.17 0.00 0.01 0.00 0.00 42.46 38.70 3ixj s ILE 150 CO 0.13 -0.11 -0.05 0.35 0.00 0.00 0.00 174.94 175.26 3ixj n THR 151 N 5.81 1.13 -3.91 2.92 -2.24 -0.44 -1.27 114.28 116.29 3ixj n THR 151 Ca 0.18 -0.57 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3ixj n THR 151 Cb 0.43 -0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 67.67 3ixj n THR 151 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ixj s GLU 152 N -2.40 0.29 0.10 -0.78 -1.05 -0.93 -4.84 118.70 109.09 3ixj s GLU 152 Ca -0.17 -0.33 -0.13 0.00 -0.15 0.00 0.00 54.97 54.19 3ixj s GLU 152 Cb 0.06 0.12 0.02 0.00 -0.44 0.00 0.00 34.13 33.88 3ixj s GLU 152 CO 0.57 -0.06 0.31 -1.54 0.95 0.00 0.00 175.26 175.50 3ixj s SER 153 N -0.97 -0.10 -0.18 0.83 1.04 -1.26 -0.16 113.70 112.90 3ixj s SER 153 Ca -0.11 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 3ixj s SER 153 Cb -0.06 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.53 3ixj s SER 153 CO 0.00 -0.77 0.07 -0.62 0.98 0.00 0.00 173.24 172.90 3ixj s ASP 154 N -2.70 2.55 -1.59 7.02 2.15 0.08 -4.85 116.67 119.33 3ixj s ASP 154 Ca 0.02 -0.69 -0.02 0.00 0.43 0.00 0.00 52.55 52.29 3ixj s ASP 154 Cb 0.02 -0.36 0.01 0.00 -0.30 0.00 0.00 42.92 42.29 3ixj s ASP 154 CO -0.10 -0.34 0.20 0.29 -0.17 0.00 0.00 175.17 175.05 3ixj n LYS 155 N 5.20 -2.77 -0.05 4.34 5.02 -1.26 -1.88 118.16 126.76 3ixj n LYS 155 Ca -0.08 0.89 -0.03 0.00 -2.02 0.00 0.00 58.31 57.07 3ixj n LYS 155 Cb 0.48 -5.61 -0.01 0.00 -0.02 0.00 0.00 35.03 29.87 3ixj n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ixj n PHE 156 N -4.06 0.56 -2.35 2.13 7.35 -1.26 -3.88 117.46 115.96 3ixj n PHE 156 Ca -0.18 0.24 -0.41 0.00 -0.76 0.00 0.00 57.45 56.35 3ixj n PHE 156 Cb 0.65 -0.57 -0.04 0.00 0.35 0.00 0.00 39.48 39.87 3ixj n PHE 156 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3ixj s PHE 157 N -1.90 3.40 -0.17 -5.13 0.08 -1.26 -4.96 117.98 108.04 3ixj s PHE 157 Ca -0.11 1.58 -0.06 0.00 0.12 0.00 0.00 56.93 58.45 3ixj s PHE 157 Cb 0.02 -3.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.00 3ixj s PHE 157 CO 0.17 -1.04 0.04 0.42 -0.10 0.00 0.00 175.22 174.71 3ixj s ILE 158 N -1.03 4.57 -0.02 0.64 1.01 -1.26 -5.02 121.20 120.09 3ixj s ILE 158 Ca 0.47 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 3ixj s ILE 158 Cb -0.35 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 3ixj s ILE 158 CO 0.44 0.48 1.69 0.21 0.00 0.00 0.00 174.94 177.75 3ixj s ASN 159 N 0.29 6.64 0.00 3.58 2.47 -1.26 -2.65 114.94 124.01 3ixj s ASN 159 Ca 0.02 2.32 0.00 0.00 0.42 0.00 0.00 52.86 55.62 3ixj s ASN 159 Cb -0.13 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 3ixj s ASN 159 CO 0.01 -0.93 0.00 0.61 -3.72 0.00 0.00 177.10 173.07 3ixj n GLY 160 N 4.15 0.65 0.12 1.21 0.00 -1.26 -4.92 105.19 105.14 3ixj n GLY 160 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 3ixj n GLY 160 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ixj h SER 161 N 0.00 0.00 -0.11 1.61 4.64 -1.85 -3.47 113.55 114.37 3ixj h SER 161 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3ixj h SER 161 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ixj h SER 161 CO 0.00 0.66 -0.04 -3.20 -0.87 0.00 0.00 176.83 173.38 3ixj n ASN 162 N -3.50 -3.90 -4.58 4.97 4.05 -1.26 -4.48 115.26 106.55 3ixj n ASN 162 Ca -0.00 0.06 -0.33 0.00 0.45 0.00 0.00 54.58 54.76 3ixj n ASN 162 Cb 0.71 -1.61 -0.11 0.00 1.23 0.00 0.00 39.78 40.00 3ixj n ASN 162 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 177.26 172.55 3ixj s TRP 163 N -1.88 2.90 -0.46 1.20 1.48 -1.26 -4.62 118.94 116.30 3ixj s TRP 163 Ca 0.00 -0.02 0.04 0.00 -1.06 0.00 0.00 56.10 55.06 3ixj s TRP 163 Cb 0.00 -1.65 0.02 0.00 -1.16 0.00 0.00 33.47 30.68 3ixj s TRP 163 CO 0.00 0.35 0.55 0.39 -4.06 0.00 0.00 176.95 174.18 3ixj n GLU 164 N 1.86 0.65 -2.79 3.25 4.71 0.48 -4.84 120.64 123.96 3ixj n GLU 164 Ca -0.16 -0.62 -0.06 0.00 -0.01 0.00 0.00 57.16 56.31 3ixj n GLU 164 Cb 0.53 -1.01 0.01 0.00 -1.01 0.00 0.00 31.44 29.96 3ixj n GLU 164 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ixj n GLY 165 N 0.38 1.52 2.91 0.62 0.00 -1.13 -0.78 105.19 108.71 3ixj n GLY 165 Ca 0.02 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 3ixj n GLY 165 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ixj s ILE 166 N -2.47 0.38 -0.42 -0.61 2.07 0.12 -0.27 121.20 120.00 3ixj s ILE 166 Ca 0.11 -0.14 -0.06 0.00 -1.41 0.00 0.00 60.65 59.15 3ixj s ILE 166 Cb -0.03 -0.37 0.10 0.00 0.13 0.00 0.00 42.46 42.29 3ixj s ILE 166 CO 0.08 0.14 0.24 -0.22 -1.91 0.00 0.00 174.94 173.27 3ixj s LEU 167 N 0.32 5.21 -0.40 8.50 2.96 0.25 -1.82 118.68 133.70 3ixj s LEU 167 Ca -0.03 -1.78 -0.29 0.00 -0.22 0.00 0.00 54.13 51.81 3ixj s LEU 167 Cb -0.07 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.73 3ixj s LEU 167 CO -0.00 -0.55 1.26 -0.83 -1.32 0.00 0.00 176.35 174.91 3ixj s GLY 168 N 2.06 1.27 0.00 7.98 0.00 -0.55 -1.45 107.32 116.63 3ixj s GLY 168 Ca 0.05 -0.20 0.23 0.00 0.00 0.00 0.00 44.72 44.80 3ixj s GLY 168 CO -0.01 2.56 1.16 1.04 0.00 0.00 0.00 173.10 177.85 3ixj n LEU 169 N 8.05 1.97 0.00 0.66 4.77 0.30 -4.33 117.00 128.42 3ixj n LEU 169 Ca 0.14 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 55.31 3ixj n LEU 169 Cb 0.48 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 3ixj n LEU 169 CO 0.68 0.36 0.28 0.00 -1.33 0.00 0.00 177.39 177.38 3ixj n ALA 170 N -0.01 -0.67 -2.32 -1.18 0.00 0.59 -4.94 120.51 111.98 3ixj n ALA 170 Ca 0.10 -0.58 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 3ixj n ALA 170 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3ixj n ALA 170 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ixj s TYR 171 N -1.91 3.52 0.48 0.00 1.51 -0.80 -4.64 117.35 115.50 3ixj s TYR 171 Ca 0.25 0.71 0.21 0.00 -1.01 0.00 0.00 57.07 57.24 3ixj s TYR 171 Cb -0.01 -2.28 1.25 0.00 -0.11 0.00 0.00 41.96 40.81 3ixj s TYR 171 CO 0.18 -0.26 1.95 0.00 -1.11 0.00 0.00 175.55 176.30 3ixj h ALA 172 N 0.28 2.36 -1.08 3.71 0.00 -1.87 -2.75 119.26 119.91 3ixj h ALA 172 Ca -0.47 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 54.73 3ixj h ALA 172 Cb 1.21 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 3ixj h ALA 172 CO 0.61 -0.55 0.67 1.49 0.00 0.00 0.00 179.25 181.48 3ixj h GLU 173 N 0.19 0.35 -0.45 0.00 4.81 -1.85 -1.28 114.58 116.35 3ixj h GLU 173 Ca 0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3ixj h GLU 173 Cb 1.02 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3ixj h GLU 173 CO -0.06 0.23 0.00 0.44 -0.73 0.00 0.00 179.01 178.89 3ixj n ILE 174 N -4.76 0.97 -2.19 2.32 -5.35 -1.04 -4.62 119.36 104.69 3ixj n ILE 174 Ca 0.29 -0.99 -0.39 0.00 -0.27 0.00 0.00 62.75 61.40 3ixj n ILE 174 Cb 0.98 0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 39.39 3ixj n ILE 174 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ixj s ALA 175 N -1.01 3.18 -0.02 -1.28 0.00 -0.48 -4.62 121.76 117.53 3ixj s ALA 175 Ca 0.30 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 3ixj s ALA 175 Cb 0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3ixj s ALA 175 CO 0.21 -0.66 0.15 1.03 0.00 0.00 0.00 175.76 176.49 3ixj s ARG 176 N -2.29 3.34 0.36 0.00 1.81 -1.26 -2.90 118.95 118.01 3ixj s ARG 176 Ca 0.57 -0.35 0.19 0.00 -1.72 0.00 0.00 55.73 54.43 3ixj s ARG 176 Cb -0.34 -3.04 0.57 0.00 -0.45 0.00 0.00 34.95 31.69 3ixj s ARG 176 CO 0.42 0.68 1.68 -1.35 -0.68 0.00 0.00 175.30 176.05 3ixj h PRO 177 N 3.99 0.00 0.00 3.54 0.11 -1.91 -3.47 132.00 134.27 3ixj h PRO 177 Ca -0.49 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 3ixj h PRO 177 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3ixj h PRO 177 CO 0.66 0.38 -0.06 -0.40 -0.21 0.00 0.00 178.00 178.37 3ixj n ASP 178 N -3.43 -1.22 0.00 -2.05 5.68 -1.14 -5.05 116.55 109.34 3ixj n ASP 178 Ca 0.00 -2.49 0.13 0.00 -0.50 0.00 0.00 54.79 51.94 3ixj n ASP 178 Cb 0.55 2.21 0.75 0.00 -1.14 0.00 0.00 41.12 43.49 3ixj n ASP 178 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3ixj n ASP 179 N -1.67 0.00 0.20 -1.12 5.68 -1.25 -2.87 116.55 115.52 3ixj n ASP 179 Ca -0.01 -0.62 0.12 0.00 -0.50 0.00 0.00 54.79 53.78 3ixj n ASP 179 Cb 0.47 -0.08 0.17 0.00 -1.14 0.00 0.00 41.12 40.54 3ixj n ASP 179 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ixj h SER 180 N 0.00 0.00 -3.20 -1.12 4.64 -1.91 -3.42 113.55 108.53 3ixj h SER 180 Ca 0.00 -0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3ixj h SER 180 Cb 0.07 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.09 3ixj h SER 180 CO 0.00 0.00 1.01 -0.22 -0.87 0.00 0.00 176.83 176.75 3ixj s LEU 181 N -6.05 3.48 0.02 5.97 2.96 -1.14 -4.98 118.68 118.95 3ixj s LEU 181 Ca 0.07 0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 3ixj s LEU 181 Cb 0.06 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.45 3ixj s LEU 181 CO 0.68 -1.50 1.45 -0.70 -1.32 0.00 0.00 176.35 174.96 3ixj s GLU 182 N 5.01 4.27 0.84 1.98 2.12 -1.26 -4.89 118.70 126.77 3ixj s GLU 182 Ca 0.48 2.05 -0.10 0.00 0.36 0.00 0.00 54.97 57.75 3ixj s GLU 182 Cb -0.09 -3.56 0.10 0.00 0.26 0.00 0.00 34.13 30.84 3ixj s GLU 182 CO 0.27 -0.60 1.11 -2.14 -0.54 0.00 0.00 175.26 173.36 3ixj s PRO 183 N 2.37 1.68 0.12 4.30 0.02 -1.26 -4.48 135.00 137.74 3ixj s PRO 183 Ca 0.66 1.26 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 3ixj s PRO 183 Cb -0.33 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 3ixj s PRO 183 CO 0.28 -2.08 1.72 0.35 -0.33 0.00 0.00 177.00 176.94 3ixj h PHE 184 N -1.45 -0.02 -0.33 6.54 3.57 -1.79 -2.48 116.94 120.98 3ixj h PHE 184 Ca -0.44 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 3ixj h PHE 184 Cb 1.25 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3ixj h PHE 184 CO 0.53 -0.03 -0.05 0.35 -2.23 0.00 0.00 178.31 176.88 3ixj h PHE 185 N 0.05 0.57 -0.83 0.41 3.57 -1.92 0.05 116.94 118.84 3ixj h PHE 185 Ca 0.08 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3ixj h PHE 185 Cb 0.10 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3ixj h PHE 185 CO -0.16 0.59 0.39 -0.44 -2.23 0.00 0.00 178.31 176.46 3ixj h ASP 186 N 0.51 1.09 -0.36 0.41 5.19 -1.87 -0.98 116.42 120.41 3ixj h ASP 186 Ca 0.10 -0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.29 3ixj h ASP 186 Cb 0.41 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3ixj h ASP 186 CO 0.02 0.92 -0.08 0.28 -3.12 0.00 0.00 179.24 177.26 3ixj h SER 187 N 1.18 0.70 -0.35 6.45 0.02 -0.92 -1.63 113.55 118.99 3ixj h SER 187 Ca 0.28 -0.36 0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3ixj h SER 187 Cb 0.13 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 3ixj h SER 187 CO -0.03 0.90 0.04 0.25 -1.14 0.00 0.00 176.83 176.84 3ixj h LEU 188 N 0.49 -0.05 -0.25 5.07 5.85 -0.82 -0.99 115.31 124.61 3ixj h LEU 188 Ca 0.09 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3ixj h LEU 188 Cb 0.59 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3ixj h LEU 188 CO 0.03 0.01 -0.14 0.58 -0.34 0.00 0.00 178.44 178.58 3ixj h VAL 189 N 0.15 1.30 -0.50 1.05 2.07 -1.15 -2.36 116.25 116.82 3ixj h VAL 189 Ca 0.17 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3ixj h VAL 189 Cb 0.21 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3ixj h VAL 189 CO -0.25 0.39 0.28 0.11 0.02 0.00 0.00 177.57 178.12 3ixj h LYS 190 N 0.26 0.69 0.00 1.57 1.57 -1.22 -3.28 116.57 116.17 3ixj h LYS 190 Ca 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ixj h LYS 190 Cb 0.65 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3ixj h LYS 190 CO 0.04 0.53 -0.37 1.96 -0.57 0.00 0.00 179.45 181.03 3ixj h GLN 191 N 0.67 0.00 0.00 3.15 4.20 -1.21 -3.48 115.11 118.44 3ixj h GLN 191 Ca 0.18 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.51 3ixj h GLN 191 Cb 0.03 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 3ixj h GLN 191 CO -0.03 0.03 -0.29 0.25 -0.67 0.00 0.00 178.83 178.12 3ixj n THR 192 N -2.97 0.00 -0.28 -0.54 -2.24 -0.89 -5.04 114.28 102.32 3ixj n THR 192 Ca 0.02 -1.48 0.10 0.00 -2.27 0.00 0.00 64.05 60.43 3ixj n THR 192 Cb 0.55 0.40 0.31 0.00 -2.10 0.00 0.00 70.33 69.49 3ixj n THR 192 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ixj n HIS 193 N -0.69 1.09 -1.67 4.78 8.25 -1.26 -4.79 115.22 120.92 3ixj n HIS 193 Ca -0.09 -0.49 -0.44 0.00 -0.26 0.00 0.00 57.72 56.44 3ixj n HIS 193 Cb 0.39 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 3ixj n HIS 193 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ixj n VAL 194 N 1.35 0.70 -1.72 1.59 0.31 -1.26 -4.94 118.33 114.36 3ixj n VAL 194 Ca 0.23 -0.13 -0.38 0.00 -0.01 0.00 0.00 64.34 64.06 3ixj n VAL 194 Cb 0.67 -2.18 0.06 0.00 -0.91 0.00 0.00 33.84 31.47 3ixj n VAL 194 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ixj n PRO 195 N 7.21 1.30 -1.64 5.55 -0.02 -1.26 -4.62 135.00 141.52 3ixj n PRO 195 Ca 0.21 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3ixj n PRO 195 Cb 0.37 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 3ixj n PRO 195 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ixj n ASN 196 N -1.46 3.99 -3.53 2.55 5.15 -1.26 -4.18 115.26 116.52 3ixj n ASN 196 Ca 0.14 -2.80 -0.09 0.00 -0.60 0.00 0.00 54.58 51.22 3ixj n ASN 196 Cb 0.47 -1.59 -0.03 0.00 -0.53 0.00 0.00 39.78 38.10 3ixj n ASN 196 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 3ixj s LEU 197 N 1.96 -0.35 0.05 1.20 2.34 -1.26 -1.52 118.68 121.09 3ixj s LEU 197 Ca 0.49 0.15 -0.10 0.00 0.06 0.00 0.00 54.13 54.73 3ixj s LEU 197 Cb 0.14 1.93 0.01 0.00 -0.56 0.00 0.00 46.19 47.71 3ixj s LEU 197 CO -0.06 -0.50 0.21 0.72 -1.06 0.00 0.00 176.35 175.66 3ixj s PHE 198 N -2.37 0.04 0.01 3.48 -0.71 -1.09 -0.68 117.98 116.66 3ixj s PHE 198 Ca 0.03 -0.27 0.05 0.00 -1.04 0.00 0.00 56.93 55.70 3ixj s PHE 198 Cb -0.01 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 3ixj s PHE 198 CO -0.05 -0.45 -0.14 -1.54 -1.34 0.00 0.00 175.22 171.70 3ixj s SER 199 N -2.16 1.63 -0.14 1.98 1.04 -0.55 -0.10 113.70 115.40 3ixj s SER 199 Ca -0.04 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3ixj s SER 199 Cb -0.00 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.98 3ixj s SER 199 CO -0.04 0.10 -0.21 -0.76 0.98 0.00 0.00 173.24 173.31 3ixj s LEU 200 N -0.71 2.17 -0.33 2.42 1.43 0.45 -1.09 118.68 123.02 3ixj s LEU 200 Ca 0.04 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3ixj s LEU 200 Cb -0.06 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.77 3ixj s LEU 200 CO 0.00 0.08 0.05 -1.58 0.23 0.00 0.00 176.35 175.13 3ixj s GLN 201 N 0.81 2.09 -0.33 1.70 0.74 0.02 -1.33 119.66 123.36 3ixj s GLN 201 Ca -0.07 -1.55 -0.13 0.00 0.05 0.00 0.00 55.36 53.66 3ixj s GLN 201 Cb -0.15 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 3ixj s GLN 201 CO -0.02 -0.80 0.25 -0.51 -0.55 0.00 0.00 175.29 173.67 3ixj s LEU 202 N 1.13 4.46 -0.37 3.68 1.43 -1.26 -0.85 118.68 126.90 3ixj s LEU 202 Ca 0.01 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3ixj s LEU 202 Cb -0.20 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.86 3ixj s LEU 202 CO -0.04 -0.23 0.23 0.00 0.23 0.00 0.00 176.35 176.54 3ixj s GLY 204 N 1.62 1.61 0.00 0.00 0.00 -1.26 -2.72 107.32 106.58 3ixj s GLY 204 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3ixj s GLY 204 CO 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 173.10 173.07 3ixj n ALA 205 N -3.68 0.00 0.00 3.20 0.00 -1.26 -4.85 120.51 113.93 3ixj n ALA 205 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3ixj n ALA 205 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3ixj n ALA 205 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ixj n SER 217 N 0.00 0.00 -4.82 0.00 7.64 -1.26 -5.13 113.62 110.06 3ixj n SER 217 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 3ixj n SER 217 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3ixj n SER 217 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3ixj s VAL 218 N 0.00 3.90 0.00 0.44 -7.23 0.54 -4.82 120.40 113.22 3ixj s VAL 218 Ca 0.00 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3ixj s VAL 218 Cb 0.00 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.70 3ixj s VAL 218 CO 0.00 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3ixj n GLY 219 N -1.23 4.96 0.00 2.32 0.00 -1.10 -2.42 105.19 107.71 3ixj n GLY 219 Ca -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3ixj n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixj n GLY 220 N 0.00 1.00 2.92 -0.02 0.00 -1.14 -1.57 105.19 106.37 3ixj n GLY 220 Ca 0.00 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 3ixj n GLY 220 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixj s SER 221 N -3.49 0.53 -0.37 1.61 0.01 -0.03 -0.91 113.70 111.06 3ixj s SER 221 Ca 0.00 -0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.18 3ixj s SER 221 Cb 0.00 -0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.21 3ixj s SER 221 CO 0.00 0.02 0.11 -0.32 0.41 0.00 0.00 173.24 173.46 3ixj s MET 222 N 0.18 1.89 -0.46 12.44 1.75 -1.26 -0.80 119.30 133.03 3ixj s MET 222 Ca -0.02 -1.75 -0.25 0.00 -1.25 0.00 0.00 55.69 52.42 3ixj s MET 222 Cb -0.05 -3.38 0.03 0.00 2.84 0.00 0.00 34.83 34.27 3ixj s MET 222 CO -0.00 -0.95 0.90 0.42 -0.65 0.00 0.00 175.02 174.74 3ixj s ILE 223 N 1.07 4.50 -0.37 10.11 -1.09 -0.25 -4.90 121.20 130.28 3ixj s ILE 223 Ca 0.07 0.69 -0.20 0.00 -2.23 0.00 0.00 60.65 58.98 3ixj s ILE 223 Cb -0.21 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 3ixj s ILE 223 CO -0.05 -0.82 0.60 -0.63 -1.23 0.00 0.00 174.94 172.81 3ixj s ILE 224 N 3.68 4.92 0.00 2.92 1.01 -1.26 -1.48 121.20 130.99 3ixj s ILE 224 Ca 0.36 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3ixj s ILE 224 Cb -0.10 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3ixj s ILE 224 CO 0.26 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.48 3ixj n GLY 225 N 4.77 0.98 0.00 6.18 0.00 0.14 -4.75 105.19 112.51 3ixj n GLY 225 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ixj n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixj n GLY 226 N -2.02 -0.66 3.15 -0.02 0.00 -1.23 -4.35 105.19 100.06 3ixj n GLY 226 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 3ixj n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixj s ILE 227 N -3.00 1.71 -0.30 -0.61 1.01 -1.26 -3.99 121.20 114.77 3ixj s ILE 227 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3ixj s ILE 227 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3ixj s ILE 227 CO 0.00 0.48 0.14 -0.62 0.00 0.00 0.00 174.94 174.95 3ixj s ASP 228 N 0.40 5.52 0.06 3.58 -1.08 -1.26 -4.98 116.67 118.91 3ixj s ASP 228 Ca -0.16 -0.46 0.20 0.00 -0.52 0.00 0.00 52.55 51.61 3ixj s ASP 228 Cb -0.17 -2.00 0.84 0.00 -1.46 0.00 0.00 42.92 40.13 3ixj s ASP 228 CO 0.07 -0.17 1.63 1.41 0.52 0.00 0.00 175.17 178.63 3ixj n HIS 229 N 4.98 0.22 0.74 -5.34 8.25 -1.26 -2.49 115.22 120.31 3ixj n HIS 229 Ca -0.14 0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.53 3ixj n HIS 229 Cb 0.50 -0.63 0.45 0.00 1.12 0.00 0.00 29.99 31.43 3ixj n HIS 229 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ixj n SER 230 N -1.69 0.56 -0.22 0.41 2.88 -1.26 -3.82 113.62 110.48 3ixj n SER 230 Ca 0.04 0.49 0.12 0.00 -1.33 0.00 0.00 58.87 58.20 3ixj n SER 230 Cb 0.24 -0.61 0.23 0.00 -0.75 0.00 0.00 64.21 63.32 3ixj n SER 230 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3ixj n LEU 231 N -2.00 1.12 -4.02 2.46 4.77 -1.04 -4.83 117.00 113.46 3ixj n LEU 231 Ca 0.06 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.62 3ixj n LEU 231 Cb 0.40 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 3ixj n LEU 231 CO 0.30 0.22 -0.22 -0.72 -1.33 0.00 0.00 177.39 175.64 3ixj s TYR 232 N -2.64 0.49 0.24 -1.77 1.13 -1.25 -0.52 117.35 113.03 3ixj s TYR 232 Ca 0.19 -0.94 0.11 0.00 -1.41 0.00 0.00 57.07 55.02 3ixj s TYR 232 Cb 0.18 -0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 40.72 3ixj s TYR 232 CO 0.60 -0.52 -0.18 0.95 -2.51 0.00 0.00 175.55 173.90 3ixj s THR 233 N -3.95 2.63 0.00 -3.49 -4.23 -0.73 -4.84 115.64 101.03 3ixj s THR 233 Ca 0.13 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3ixj s THR 233 Cb 0.06 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.57 3ixj s THR 233 CO -0.06 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 3ixj n GLY 234 N -0.26 -0.19 3.76 3.99 0.00 -1.26 -3.83 105.19 107.40 3ixj n GLY 234 Ca -0.09 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 3ixj n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixj s SER 235 N -4.00 5.48 -0.05 1.61 0.01 -1.26 -5.03 113.70 110.46 3ixj s SER 235 Ca 0.00 0.03 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 3ixj s SER 235 Cb 0.00 -1.49 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 3ixj s SER 235 CO 0.00 0.22 0.98 -0.76 0.41 0.00 0.00 173.24 174.10 3ixj s LEU 236 N -2.02 4.32 -0.13 2.44 1.43 -1.26 -4.52 118.68 118.93 3ixj s LEU 236 Ca 0.25 1.59 -0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3ixj s LEU 236 Cb -0.12 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 3ixj s LEU 236 CO 0.17 -0.33 -0.13 0.26 0.23 0.00 0.00 176.35 176.55 3ixj s TRP 237 N 1.41 2.81 -0.10 0.29 0.52 -0.16 -4.90 118.94 118.81 3ixj s TRP 237 Ca 0.50 -0.67 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 3ixj s TRP 237 Cb -0.20 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 3ixj s TRP 237 CO 0.24 -0.23 -0.03 0.71 0.02 0.00 0.00 176.95 177.66 3ixj s TYR 238 N 0.40 3.06 -0.06 -1.98 2.02 -1.26 -0.55 117.35 118.98 3ixj s TYR 238 Ca -0.10 0.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.69 3ixj s TYR 238 Cb -0.16 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3ixj s TYR 238 CO 0.05 0.31 -0.25 -0.08 -1.57 0.00 0.00 175.55 174.02 3ixj s THR 239 N -0.55 2.02 0.37 -0.71 -1.32 -0.25 -3.46 115.64 111.74 3ixj s THR 239 Ca 0.09 -1.04 -0.28 0.00 -1.21 0.00 0.00 61.69 59.25 3ixj s THR 239 Cb -0.12 -1.71 -0.10 0.00 -1.51 0.00 0.00 72.50 69.06 3ixj s THR 239 CO 0.02 0.56 1.36 -2.16 -2.21 0.00 0.00 174.62 172.19 3ixj s PRO 240 N -0.13 4.15 -0.28 7.08 0.04 -1.26 -0.15 135.00 144.45 3ixj s PRO 240 Ca -0.04 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.01 3ixj s PRO 240 Cb -0.14 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 3ixj s PRO 240 CO 0.04 -0.40 1.43 0.42 0.04 0.00 0.00 177.00 178.54 3ixj s ILE 241 N -1.17 3.95 0.15 0.56 1.01 0.18 -4.59 121.20 121.28 3ixj s ILE 241 Ca 0.53 1.06 -0.14 0.00 0.00 0.00 0.00 60.65 62.10 3ixj s ILE 241 Cb -0.41 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.09 3ixj s ILE 241 CO 0.55 -0.44 1.67 -0.09 0.00 0.00 0.00 174.94 176.63 3ixj h ARG 242 N 10.00 0.75 -2.70 2.79 2.43 -1.06 -3.44 114.38 123.15 3ixj h ARG 242 Ca -0.29 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.59 3ixj h ARG 242 Cb 1.12 -0.11 -0.26 0.00 -0.42 0.00 0.00 29.97 30.30 3ixj h ARG 242 CO 1.03 0.71 -0.30 0.50 -1.51 0.00 0.00 179.97 180.41 3ixj s ARG 243 N -5.39 0.40 -1.28 0.20 3.52 -1.26 -5.09 118.95 110.06 3ixj s ARG 243 Ca -0.13 0.71 -0.18 0.00 -0.13 0.00 0.00 55.73 56.00 3ixj s ARG 243 Cb 0.11 0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.56 3ixj s ARG 243 CO 0.78 -0.13 1.92 0.39 -0.81 0.00 0.00 175.30 177.45 3ixj n GLU 244 N 3.87 2.70 0.00 5.12 1.02 -1.26 -4.11 120.64 127.98 3ixj n GLU 244 Ca -0.21 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 3ixj n GLU 244 Cb 0.56 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.55 3ixj n GLU 244 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3ixj n TRP 245 N 8.62 0.00 -1.85 -0.32 4.27 -1.26 -4.60 117.44 122.30 3ixj n TRP 245 Ca 0.49 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.81 3ixj n TRP 245 Cb 0.44 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 30.49 3ixj n TRP 245 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3ixj s TYR 246 N 0.00 2.75 -1.40 -2.67 2.02 -1.26 -1.91 117.35 114.87 3ixj s TYR 246 Ca 0.00 0.72 -0.15 0.00 -0.37 0.00 0.00 57.07 57.28 3ixj s TYR 246 Cb 0.00 -3.54 0.06 0.00 -0.40 0.00 0.00 41.96 38.08 3ixj s TYR 246 CO 0.00 -1.96 2.07 0.66 -1.57 0.00 0.00 175.55 174.75 3ixj n TYR 247 N -3.43 3.82 -2.66 2.71 4.01 -1.26 -4.81 117.16 115.53 3ixj n TYR 247 Ca 0.08 -2.94 -0.42 0.00 -0.16 0.00 0.00 57.90 54.46 3ixj n TYR 247 Cb 0.61 -2.53 -0.03 0.00 -0.31 0.00 0.00 39.34 37.08 3ixj n TYR 247 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3ixj s GLU 248 N 3.23 4.48 0.43 -0.72 2.12 -1.26 -2.01 118.70 124.98 3ixj s GLU 248 Ca 0.48 1.45 0.03 0.00 0.36 0.00 0.00 54.97 57.30 3ixj s GLU 248 Cb 0.11 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 3ixj s GLU 248 CO -0.04 -0.19 0.07 0.14 -0.54 0.00 0.00 175.26 174.69 3ixj s VAL 249 N 1.47 0.98 -0.14 3.70 -7.23 -0.05 -0.43 120.40 118.70 3ixj s VAL 249 Ca 0.51 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3ixj s VAL 249 Cb -0.21 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.36 3ixj s VAL 249 CO 0.24 0.00 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.21 3ixj s ILE 250 N -3.06 1.85 -0.17 -0.62 -1.09 -1.26 -4.03 121.20 112.82 3ixj s ILE 250 Ca 0.20 -0.84 -0.21 0.00 -2.23 0.00 0.00 60.65 57.57 3ixj s ILE 250 Cb 0.04 -1.67 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 3ixj s ILE 250 CO 0.11 0.51 0.63 -0.63 -1.23 0.00 0.00 174.94 174.32 3ixj s ILE 251 N 1.06 5.04 -0.19 2.92 1.01 -1.26 -2.00 121.20 127.78 3ixj s ILE 251 Ca -0.02 1.21 0.13 0.00 0.00 0.00 0.00 60.65 61.96 3ixj s ILE 251 Cb -0.14 -3.95 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 3ixj s ILE 251 CO -0.06 0.16 0.36 1.33 0.00 0.00 0.00 174.94 176.73 3ixj n VAL 252 N 4.42 0.00 -3.53 2.92 0.24 0.14 -4.70 118.33 117.82 3ixj n VAL 252 Ca -0.02 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.34 61.84 3ixj n VAL 252 Cb 0.50 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 3ixj n VAL 252 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3ixj s ARG 253 N -2.70 1.02 -0.05 7.34 3.52 -1.23 -4.73 118.95 122.11 3ixj s ARG 253 Ca -0.02 0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 3ixj s ARG 253 Cb 0.09 0.48 0.01 0.00 -1.56 0.00 0.00 34.95 33.97 3ixj s ARG 253 CO 0.54 -0.31 -0.08 0.08 -0.81 0.00 0.00 175.30 174.71 3ixj s VAL 254 N -1.14 0.80 -0.02 7.11 1.01 -1.26 -0.95 120.40 125.95 3ixj s VAL 254 Ca -0.10 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3ixj s VAL 254 Cb -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 3ixj s VAL 254 CO 0.09 0.27 -0.16 -1.61 0.00 0.00 0.00 175.10 173.69 3ixj s GLU 255 N 0.63 1.48 -0.20 2.72 2.02 -0.48 -0.73 118.70 124.15 3ixj s GLU 255 Ca -0.11 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.31 3ixj s GLU 255 Cb -0.13 -1.37 0.04 0.00 0.10 0.00 0.00 34.13 32.76 3ixj s GLU 255 CO 0.02 0.30 -0.14 0.42 0.02 0.00 0.00 175.26 175.88 3ixj s ILE 256 N -0.21 1.87 -1.53 -1.63 1.01 -0.59 -0.07 121.20 120.06 3ixj s ILE 256 Ca 0.02 -1.05 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 3ixj s ILE 256 Cb -0.08 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.62 3ixj s ILE 256 CO 0.00 0.30 0.61 0.59 0.00 0.00 0.00 174.94 176.44 3ixj n ASN 257 N 4.63 -1.86 0.00 3.58 3.02 -0.34 -2.39 115.26 121.90 3ixj n ASN 257 Ca -0.17 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 3ixj n ASN 257 Cb 0.47 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 3ixj n ASN 257 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ixj n GLY 258 N -1.74 0.82 3.36 7.41 0.00 -1.26 -5.01 105.19 108.76 3ixj n GLY 258 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3ixj n GLY 258 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ixj s GLN 259 N -0.04 3.47 0.26 1.61 -1.52 -1.01 -5.07 119.66 117.37 3ixj s GLN 259 Ca 0.00 -0.58 -0.31 0.00 -1.95 0.00 0.00 55.36 52.53 3ixj s GLN 259 Cb 0.00 -3.14 -0.12 0.00 -0.22 0.00 0.00 33.01 29.53 3ixj s GLN 259 CO 0.00 -0.20 1.65 0.34 -0.25 0.00 0.00 175.29 176.83 3ixj s ASP 260 N 1.53 6.37 0.55 5.90 -1.08 -1.26 -1.54 116.67 127.14 3ixj s ASP 260 Ca 0.06 2.92 0.33 0.00 -0.52 0.00 0.00 52.55 55.34 3ixj s ASP 260 Cb -0.15 -2.62 1.52 0.00 -1.46 0.00 0.00 42.92 40.21 3ixj s ASP 260 CO -0.00 -0.94 2.05 0.25 0.52 0.00 0.00 175.17 177.04 3ixj h LEU 261 N 5.62 0.00 0.76 -1.34 5.85 -1.31 -3.47 115.31 121.42 3ixj h LEU 261 Ca -0.45 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.11 3ixj h LEU 261 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3ixj h LEU 261 CO 0.86 0.06 -0.17 1.17 -0.34 0.00 0.00 178.44 180.02 3ixj n LYS 262 N -3.24 -0.58 -3.72 1.25 3.00 -1.26 -5.02 118.16 108.58 3ixj n LYS 262 Ca -0.01 0.56 -0.24 0.00 -0.00 0.00 0.00 58.31 58.62 3ixj n LYS 262 Cb 0.27 -4.44 -0.02 0.00 0.00 0.00 0.00 35.03 30.84 3ixj n LYS 262 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3ixj s MET 263 N -3.58 3.47 -0.06 1.64 -1.94 -1.26 -5.03 119.30 112.54 3ixj s MET 263 Ca 0.00 -0.53 -0.34 0.00 -1.71 0.00 0.00 55.69 53.11 3ixj s MET 263 Cb 0.00 -2.81 -0.12 0.00 2.01 0.00 0.00 34.83 33.91 3ixj s MET 263 CO 0.00 0.34 1.86 -3.47 -0.01 0.00 0.00 175.02 173.74 3ixj n ASP 264 N -1.32 3.45 0.32 3.03 -0.08 -1.26 -4.85 116.55 115.85 3ixj n ASP 264 Ca -0.07 0.98 0.21 0.00 -1.51 0.00 0.00 54.79 54.41 3ixj n ASP 264 Cb 0.56 -1.38 1.07 0.00 2.34 0.00 0.00 41.12 43.71 3ixj n ASP 264 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ixj h LYS 266 N 0.00 0.17 -0.11 0.00 1.57 -1.73 -2.47 116.57 114.00 3ixj h LYS 266 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3ixj h LYS 266 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3ixj h LYS 266 CO 0.00 0.21 0.00 0.93 -0.57 0.00 0.00 179.45 180.02 3ixj h GLU 267 N 0.17 0.16 0.00 3.15 4.39 -1.24 -2.37 114.58 118.83 3ixj h GLU 267 Ca 0.04 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 3ixj h GLU 267 Cb 0.15 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3ixj h GLU 267 CO 0.00 0.18 -0.43 1.88 -1.16 0.00 0.00 179.01 179.48 3ixj h TYR 268 N 0.16 0.00 -0.44 4.33 0.05 -1.56 -3.21 116.97 116.30 3ixj h TYR 268 Ca 0.04 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.55 3ixj h TYR 268 Cb 0.11 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.69 3ixj h TYR 268 CO 0.00 0.43 -0.16 0.09 -1.05 0.00 0.00 178.16 177.47 3ixj n ASN 269 N -3.91 3.18 -4.46 3.88 3.02 -0.93 -4.34 115.26 111.70 3ixj n ASN 269 Ca -0.01 -3.80 -0.42 0.00 -0.03 0.00 0.00 54.58 50.32 3ixj n ASN 269 Cb 0.47 -0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 3ixj n ASN 269 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ixj s TYR 270 N -3.36 3.23 -2.61 3.10 5.04 -0.97 -1.42 117.35 120.37 3ixj s TYR 270 Ca 0.47 -0.56 0.24 0.00 -2.44 0.00 0.00 57.07 54.78 3ixj s TYR 270 Cb 0.41 -2.53 0.26 0.00 0.35 0.00 0.00 41.96 40.46 3ixj s TYR 270 CO -0.00 -0.54 1.28 -0.40 -1.34 0.00 0.00 175.55 174.55 3ixj n ASP 271 N 5.11 2.46 -3.85 4.32 5.75 -1.26 -3.24 116.55 125.84 3ixj n ASP 271 Ca -0.12 -1.75 -0.08 0.00 -0.01 0.00 0.00 54.79 52.84 3ixj n ASP 271 Cb 0.48 0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.68 3ixj n ASP 271 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3ixj s LYS 272 N -2.16 1.72 -0.08 0.11 -2.85 -0.51 -4.70 119.74 111.26 3ixj s LYS 272 Ca 0.26 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 3ixj s LYS 272 Cb 0.20 0.59 0.02 0.00 -2.06 0.00 0.00 37.83 36.58 3ixj s LYS 272 CO 0.39 -0.78 -0.07 -1.12 0.10 0.00 0.00 175.35 173.87 3ixj s SER 273 N -2.92 1.77 0.15 0.03 0.01 -1.26 -0.70 113.70 110.78 3ixj s SER 273 Ca 0.12 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.22 3ixj s SER 273 Cb -0.05 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 3ixj s SER 273 CO 0.06 -0.07 -0.19 0.27 0.41 0.00 0.00 173.24 173.71 3ixj s ILE 274 N 1.30 1.80 -0.30 1.44 -4.36 -0.18 -0.87 121.20 120.04 3ixj s ILE 274 Ca -0.03 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 3ixj s ILE 274 Cb -0.14 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3ixj s ILE 274 CO -0.03 -0.25 0.19 -0.69 0.24 0.00 0.00 174.94 174.40 3ixj s VAL 275 N -1.83 5.17 -0.20 8.37 1.01 -0.85 -0.40 120.40 131.67 3ixj s VAL 275 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 3ixj s VAL 275 Cb -0.07 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.85 3ixj s VAL 275 CO 0.06 0.17 0.03 -0.62 0.00 0.00 0.00 175.10 174.74 3ixj s ASP 276 N 1.73 2.98 0.50 3.32 2.15 -0.38 -4.47 116.67 122.49 3ixj s ASP 276 Ca 0.07 -0.85 0.29 0.00 0.43 0.00 0.00 52.55 52.49 3ixj s ASP 276 Cb -0.16 -0.64 1.00 0.00 -0.30 0.00 0.00 42.92 42.81 3ixj s ASP 276 CO 0.10 -0.30 1.85 0.77 -0.17 0.00 0.00 175.17 177.42 3ixj h SER 277 N 8.22 0.00 0.07 -0.34 4.64 -1.83 -3.22 113.55 121.09 3ixj h SER 277 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ixj h SER 277 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ixj h SER 277 CO 0.34 0.05 -0.06 0.61 -0.87 0.00 0.00 176.83 176.90 3ixj n GLY 278 N 0.36 -0.31 3.63 -0.77 0.00 -1.23 -4.67 105.19 102.19 3ixj n GLY 278 Ca 0.01 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3ixj n GLY 278 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixj s THR 279 N -2.15 4.05 -0.07 2.61 2.01 -1.21 -5.04 115.64 115.83 3ixj s THR 279 Ca 0.35 -0.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.79 3ixj s THR 279 Cb 0.21 -2.70 -0.18 0.00 0.01 0.00 0.00 72.50 69.84 3ixj s THR 279 CO 0.39 0.59 0.83 0.74 -0.69 0.00 0.00 174.62 176.48 3ixj h THR 280 N 4.30 1.09 -4.15 -0.82 2.02 -1.88 0.42 112.91 113.90 3ixj h THR 280 Ca -0.48 -1.42 -0.49 0.00 0.77 0.00 0.00 66.41 64.79 3ixj h THR 280 Cb 1.18 1.90 0.06 0.00 -1.74 0.00 0.00 68.15 69.56 3ixj h THR 280 CO 0.55 0.31 0.32 0.20 0.37 0.00 0.00 175.52 177.27 3ixj s ASN 281 N -5.70 5.69 -0.45 4.18 -0.87 -1.26 -1.49 114.94 115.04 3ixj s ASN 281 Ca -0.14 1.04 -0.26 0.00 -1.57 0.00 0.00 52.86 51.93 3ixj s ASN 281 Cb -0.00 -1.98 0.03 0.00 -0.02 0.00 0.00 41.25 39.27 3ixj s ASN 281 CO 0.52 -1.12 0.97 -0.22 -2.57 0.00 0.00 177.10 174.68 3ixj s LEU 282 N -5.17 3.92 -0.18 0.60 2.96 -0.87 -2.28 118.68 117.66 3ixj s LEU 282 Ca 0.55 0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 54.66 3ixj s LEU 282 Cb -0.11 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3ixj s LEU 282 CO 0.50 -1.06 0.10 -0.13 -1.32 0.00 0.00 176.35 174.43 3ixj s ARG 283 N 3.86 3.97 0.10 1.98 0.52 -0.22 -1.79 118.95 127.37 3ixj s ARG 283 Ca 0.40 -0.27 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 3ixj s ARG 283 Cb -0.10 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 3ixj s ARG 283 CO 0.26 0.36 -0.26 -0.51 0.02 0.00 0.00 175.30 175.17 3ixj s LEU 284 N 0.17 2.26 0.53 2.53 1.43 0.04 -0.83 118.68 124.81 3ixj s LEU 284 Ca 0.07 -0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 3ixj s LEU 284 Cb -0.12 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 3ixj s LEU 284 CO -0.00 0.19 1.22 -2.65 0.23 0.00 0.00 176.35 175.34 3ixj n PRO 285 N 1.25 1.49 -0.34 1.29 -0.02 -1.26 -0.10 135.00 137.31 3ixj n PRO 285 Ca -0.18 0.55 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 3ixj n PRO 285 Cb 0.53 -2.41 0.12 0.00 -0.02 0.00 0.00 33.50 31.72 3ixj n PRO 285 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ixj n LYS 286 N -0.79 -0.11 -0.30 -0.52 4.81 -1.07 -0.68 118.16 119.50 3ixj n LYS 286 Ca 0.11 1.47 -0.05 0.00 -0.87 0.00 0.00 58.31 58.96 3ixj n LYS 286 Cb 0.44 -2.19 0.07 0.00 0.02 0.00 0.00 35.03 33.36 3ixj n LYS 286 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3ixj h LYS 287 N 0.00 1.21 0.11 1.64 1.63 -1.92 -1.93 116.57 117.31 3ixj h LYS 287 Ca 0.43 -0.21 -0.28 0.00 -0.85 0.00 0.00 60.65 59.75 3ixj h LYS 287 Cb 0.67 -0.20 0.02 0.00 -0.60 0.00 0.00 32.23 32.11 3ixj h LYS 287 CO -0.97 0.96 -1.20 0.28 -3.45 0.00 0.00 179.45 175.07 3ixj h VAL 288 N 1.18 1.37 -0.36 2.00 2.07 -1.23 -2.76 116.25 118.52 3ixj h VAL 288 Ca 0.27 -2.64 0.03 0.00 0.82 0.00 0.00 66.70 65.18 3ixj h VAL 288 Cb 0.19 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3ixj h VAL 288 CO -0.03 0.79 0.18 0.15 0.02 0.00 0.00 177.57 178.68 3ixj h PHE 289 N 0.20 0.33 -0.53 1.57 3.57 -0.77 -0.45 116.94 120.85 3ixj h PHE 289 Ca -0.16 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 3ixj h PHE 289 Cb 1.88 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.50 3ixj h PHE 289 CO 0.09 0.17 0.11 0.93 -2.23 0.00 0.00 178.31 177.38 3ixj h GLU 290 N 0.36 0.86 -0.63 1.11 5.08 -1.37 0.08 114.58 120.06 3ixj h GLU 290 Ca 0.15 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3ixj h GLU 290 Cb 0.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3ixj h GLU 290 CO -0.11 0.82 0.34 0.00 -1.00 0.00 0.00 179.01 179.07 3ixj h ALA 291 N 1.00 0.81 -0.11 3.43 0.00 -1.32 -1.57 119.26 121.50 3ixj h ALA 291 Ca 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ixj h ALA 291 Cb 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ixj h ALA 291 CO 0.01 0.33 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 3ixj h ALA 292 N 1.16 0.16 -0.43 0.00 0.00 -0.85 -2.30 119.26 117.00 3ixj h ALA 292 Ca 0.22 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ixj h ALA 292 Cb 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ixj h ALA 292 CO -0.04 -0.07 0.25 0.28 0.00 0.00 0.00 179.25 179.68 3ixj h VAL 293 N -0.12 1.05 -0.82 0.00 2.07 -0.98 0.10 116.25 117.54 3ixj h VAL 293 Ca 0.02 -0.17 0.14 0.00 0.82 0.00 0.00 66.70 67.51 3ixj h VAL 293 Cb 0.51 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 3ixj h VAL 293 CO 0.02 0.09 0.41 0.50 0.02 0.00 0.00 177.57 178.61 3ixj h LYS 294 N 0.51 0.59 -0.08 1.57 3.64 -1.29 0.36 116.57 121.87 3ixj h LYS 294 Ca 0.17 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.31 3ixj h LYS 294 Cb 0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3ixj h LYS 294 CO -0.08 0.39 -0.81 1.03 -2.27 0.00 0.00 179.45 177.72 3ixj h SER 295 N 0.60 0.65 0.13 4.20 0.87 -0.81 -2.75 113.55 116.45 3ixj h SER 295 Ca 0.44 -0.45 -0.19 0.00 -1.23 0.00 0.00 61.79 60.36 3ixj h SER 295 Cb 0.60 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3ixj h SER 295 CO -0.35 1.22 -0.72 0.40 -0.53 0.00 0.00 176.83 176.85 3ixj h ILE 296 N 0.35 1.35 -0.58 2.23 2.04 -0.46 -2.52 117.51 119.91 3ixj h ILE 296 Ca -0.05 -2.06 0.04 0.00 1.00 0.00 0.00 64.86 63.78 3ixj h ILE 296 Cb 1.41 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 3ixj h ILE 296 CO 0.15 0.63 0.34 0.11 0.00 0.00 0.00 178.15 179.38 3ixj h LYS 297 N 0.36 0.64 -0.11 2.37 1.57 -0.34 -2.42 116.57 118.64 3ixj h LYS 297 Ca -0.03 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 3ixj h LYS 297 Cb 1.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3ixj h LYS 297 CO 0.13 0.42 -0.57 0.00 -0.57 0.00 0.00 179.45 178.86 3ixj h ALA 298 N 1.28 0.82 -0.05 3.86 0.00 -1.45 -1.56 119.26 122.15 3ixj h ALA 298 Ca 0.25 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3ixj h ALA 298 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ixj h ALA 298 CO -0.13 0.70 -0.42 0.00 0.00 0.00 0.00 179.25 179.40 3ixj h ALA 299 N 1.14 1.19 -0.44 0.00 0.00 -1.38 -3.19 119.26 116.57 3ixj h ALA 299 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ixj h ALA 299 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ixj h ALA 299 CO 0.09 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 3ixj n SER 300 N -4.02 4.29 0.00 0.00 3.41 -0.92 -4.68 113.62 111.70 3ixj n SER 300 Ca -0.02 -2.65 0.04 0.00 -0.26 0.00 0.00 58.87 55.98 3ixj n SER 300 Cb 0.47 -0.52 0.20 0.00 -0.26 0.00 0.00 64.21 64.10 3ixj n SER 300 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ixj n SER 301 N 0.35 0.00 0.00 4.04 3.41 -0.60 -1.64 113.62 119.18 3ixj n SER 301 Ca 0.22 0.26 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 3ixj n SER 301 Cb 0.86 -0.35 0.45 0.00 -0.26 0.00 0.00 64.21 64.92 3ixj n SER 301 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3ixj n THR 302 N -1.35 0.53 -4.34 6.66 5.66 -1.26 -4.79 114.28 115.38 3ixj n THR 302 Ca 0.03 0.13 -0.18 0.00 -3.05 0.00 0.00 64.05 60.99 3ixj n THR 302 Cb 0.08 -0.81 -0.10 0.00 -1.55 0.00 0.00 70.33 67.94 3ixj n THR 302 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3ixj s GLU 303 N -2.73 1.36 -0.18 1.09 2.02 -0.65 -5.15 118.70 114.46 3ixj s GLU 303 Ca 0.15 -1.69 -0.06 0.00 0.02 0.00 0.00 54.97 53.39 3ixj s GLU 303 Cb 0.13 -0.66 -0.03 0.00 0.10 0.00 0.00 34.13 33.66 3ixj s GLU 303 CO 0.31 -0.09 0.02 0.15 0.02 0.00 0.00 175.26 175.67 3ixj s LYS 304 N -3.86 3.79 -0.02 1.61 3.01 -1.26 -5.04 119.74 117.97 3ixj s LYS 304 Ca 0.29 -0.44 0.04 0.00 -1.01 0.00 0.00 55.97 54.84 3ixj s LYS 304 Cb 0.06 -3.10 -0.01 0.00 -1.01 0.00 0.00 37.83 33.77 3ixj s LYS 304 CO 0.09 0.18 -0.13 -0.06 0.51 0.00 0.00 175.35 175.94 3ixj s PHE 305 N 0.57 1.28 0.70 3.18 0.08 -1.26 -5.10 117.98 117.42 3ixj s PHE 305 Ca 0.00 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.60 3ixj s PHE 305 Cb -0.14 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.47 3ixj s PHE 305 CO 0.02 -0.07 1.10 -0.35 -0.10 0.00 0.00 175.22 175.81 3ixj n PRO 306 N 2.96 0.70 0.25 0.24 -0.04 -1.26 -4.90 135.00 132.95 3ixj n PRO 306 Ca -0.16 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 3ixj n PRO 306 Cb 0.54 -2.34 0.64 0.00 -0.04 0.00 0.00 33.50 32.31 3ixj n PRO 306 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ixj h ASP 307 N -0.01 0.00 0.92 3.54 3.45 -2.01 -2.09 116.42 120.22 3ixj h ASP 307 Ca -0.48 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.97 3ixj h ASP 307 Cb 1.34 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.11 3ixj h ASP 307 CO 0.49 0.11 -0.01 1.23 -1.57 0.00 0.00 179.24 179.50 3ixj h GLY 308 N 0.45 0.00 1.01 2.75 0.00 -1.94 -3.10 103.07 102.25 3ixj h GLY 308 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ixj h GLY 308 CO 0.01 0.00 0.37 -2.75 0.00 0.00 0.00 176.54 174.17 3ixj h PHE 309 N 0.00 1.02 0.00 5.60 3.57 -1.53 0.15 116.94 125.74 3ixj h PHE 309 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3ixj h PHE 309 Cb 0.47 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3ixj h PHE 309 CO 0.00 0.74 0.00 -1.49 -2.23 0.00 0.00 178.31 175.33 3ixj h TRP 310 N 1.00 0.00 -0.11 0.41 4.06 -1.68 -2.30 115.95 117.33 3ixj h TRP 310 Ca 0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.20 3ixj h TRP 310 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3ixj h TRP 310 CO 0.00 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.16 3ixj n LEU 311 N -2.85 2.62 -0.41 -4.49 4.77 -1.09 -4.95 117.00 110.59 3ixj n LEU 311 Ca 0.02 -0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 55.00 3ixj n LEU 311 Cb 0.34 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3ixj n LEU 311 CO 0.27 0.47 -0.05 0.61 -1.33 0.00 0.00 177.39 177.36 3ixj n GLY 312 N 1.32 0.80 0.11 -0.72 0.00 -0.87 -4.94 105.19 100.89 3ixj n GLY 312 Ca 0.16 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3ixj n GLY 312 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ixj n GLU 313 N -2.81 0.68 -4.29 1.61 1.02 0.46 -4.93 120.64 112.38 3ixj n GLU 313 Ca -0.05 0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 56.95 3ixj n GLU 313 Cb 0.18 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 29.88 3ixj n GLU 313 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3ixj s GLN 314 N -2.54 1.92 0.19 3.49 -0.21 -0.89 -4.96 119.66 116.67 3ixj s GLN 314 Ca -0.18 -1.18 -0.06 0.00 0.02 0.00 0.00 55.36 53.97 3ixj s GLN 314 Cb 0.07 -2.16 -0.06 0.00 1.00 0.00 0.00 33.01 31.87 3ixj s GLN 314 CO 0.76 0.47 0.44 -0.51 -2.12 0.00 0.00 175.29 174.33 3ixj s LEU 315 N -2.35 4.21 0.05 2.90 1.43 -1.26 -4.17 118.68 119.50 3ixj s LEU 315 Ca 0.21 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 3ixj s LEU 315 Cb -0.10 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3ixj s LEU 315 CO 0.12 -0.02 0.01 0.68 0.23 0.00 0.00 176.35 177.37 3ixj s VAL 316 N -1.77 4.14 0.02 -1.59 -7.23 -0.69 -4.94 120.40 108.35 3ixj s VAL 316 Ca 0.43 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.83 3ixj s VAL 316 Cb -0.12 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 3ixj s VAL 316 CO 0.25 0.23 -0.09 0.00 -0.31 0.00 0.00 175.10 175.18 3ixj s TRP 318 N -0.79 0.64 0.38 0.00 0.51 -0.19 -4.97 118.94 114.52 3ixj s TRP 318 Ca -0.02 -0.58 -0.27 0.00 -2.12 0.00 0.00 56.10 53.11 3ixj s TRP 318 Cb -0.07 -0.39 -0.11 0.00 -0.81 0.00 0.00 33.47 32.09 3ixj s TRP 318 CO 0.00 -0.12 1.28 0.00 -0.51 0.00 0.00 176.95 177.61 3ixj n GLN 319 N 1.23 2.04 -1.39 4.98 0.00 -1.26 0.39 117.38 123.36 3ixj n GLN 319 Ca -0.21 0.72 -0.56 0.00 0.00 0.00 0.00 57.00 56.95 3ixj n GLN 319 Cb 0.56 -2.35 -0.09 0.00 0.00 0.00 0.00 30.24 28.36 3ixj n GLN 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ixj n ALA 320 N 0.10 0.56 -0.55 2.61 0.00 -1.24 -0.65 120.51 121.33 3ixj n ALA 320 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ixj n ALA 320 Cb 0.38 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3ixj n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixj n GLY 321 N 6.70 0.71 0.58 0.00 0.00 -1.26 -4.96 105.19 106.95 3ixj n GLY 321 Ca 0.46 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.39 3ixj n GLY 321 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixj n THR 322 N -2.55 1.36 -1.68 2.61 -2.24 0.17 -5.02 114.28 106.93 3ixj n THR 322 Ca 0.00 -1.28 -0.47 0.00 -2.27 0.00 0.00 64.05 60.03 3ixj n THR 322 Cb 0.00 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 3ixj n THR 322 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ixj n THR 323 N 0.01 0.49 -1.85 4.28 -1.04 -1.26 -4.86 114.28 110.06 3ixj n THR 323 Ca 0.12 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 3ixj n THR 323 Cb 0.53 -1.87 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 3ixj n THR 323 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ixj n PRO 324 N 6.15 2.74 -0.11 -2.82 -0.04 -1.26 -4.73 135.00 134.93 3ixj n PRO 324 Ca 0.21 -2.65 0.11 0.00 -0.04 0.00 0.00 63.50 61.13 3ixj n PRO 324 Cb 0.31 -3.30 0.46 0.00 -0.04 0.00 0.00 33.50 30.93 3ixj n PRO 324 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ixj h TRP 325 N 6.62 0.52 -0.58 0.54 4.06 -1.95 -2.82 115.95 122.34 3ixj h TRP 325 Ca 0.52 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.60 3ixj h TRP 325 Cb 0.70 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.65 3ixj h TRP 325 CO 1.42 0.25 0.39 -2.95 -3.56 0.00 0.00 178.44 174.00 3ixj h ASN 326 N 0.49 0.26 0.97 -3.49 -1.07 -2.01 -1.68 115.58 109.05 3ixj h ASN 326 Ca 0.29 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.67 3ixj h ASN 326 Cb 0.49 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.70 3ixj h ASN 326 CO -0.09 0.15 -0.23 2.30 0.07 0.00 0.00 177.43 179.63 3ixj n ILE 327 N -4.45 0.21 -3.38 6.14 -5.35 -1.06 -4.73 119.36 106.74 3ixj n ILE 327 Ca 0.10 -0.12 -0.38 0.00 -0.27 0.00 0.00 62.75 62.08 3ixj n ILE 327 Cb 0.45 -0.28 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 3ixj n ILE 327 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3ixj s PHE 328 N -3.06 3.37 0.64 4.28 0.08 -0.63 -3.31 117.98 119.35 3ixj s PHE 328 Ca 0.11 0.62 -0.13 0.00 0.12 0.00 0.00 56.93 57.64 3ixj s PHE 328 Cb 0.16 -2.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 3ixj s PHE 328 CO 0.62 -0.02 1.05 -1.25 -0.10 0.00 0.00 175.22 175.52 3ixj s PRO 329 N 1.36 3.18 0.34 0.24 0.04 -1.26 -4.67 135.00 134.23 3ixj s PRO 329 Ca 0.19 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 3ixj s PRO 329 Cb -0.15 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3ixj s PRO 329 CO 0.08 -0.91 0.94 0.14 0.04 0.00 0.00 177.00 177.29 3ixj s VAL 330 N -2.75 4.24 -0.15 -0.36 -7.23 -1.26 -4.29 120.40 108.59 3ixj s VAL 330 Ca 0.61 1.78 0.00 0.00 -1.81 0.00 0.00 61.98 62.55 3ixj s VAL 330 Cb -0.15 -3.96 -0.00 0.00 0.56 0.00 0.00 36.38 32.84 3ixj s VAL 330 CO 0.45 0.08 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.54 3ixj s ILE 331 N -1.69 2.67 -0.24 -0.62 1.01 -0.85 -1.20 121.20 120.28 3ixj s ILE 331 Ca 0.52 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3ixj s ILE 331 Cb -0.17 -2.13 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 3ixj s ILE 331 CO 0.22 0.52 -0.01 -0.44 0.00 0.00 0.00 174.94 175.23 3ixj s SER 332 N 0.80 4.57 -0.31 3.58 0.01 0.90 -0.96 113.70 122.28 3ixj s SER 332 Ca -0.05 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.61 3ixj s SER 332 Cb -0.15 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 3ixj s SER 332 CO 0.00 -0.07 0.19 -0.76 0.41 0.00 0.00 173.24 173.01 3ixj s LEU 333 N 1.48 4.22 -0.16 2.44 1.43 -0.50 -1.38 118.68 126.21 3ixj s LEU 333 Ca 0.05 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 3ixj s LEU 333 Cb -0.15 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3ixj s LEU 333 CO -0.01 -0.18 0.75 -0.31 0.23 0.00 0.00 176.35 176.83 3ixj s TYR 334 N 1.68 3.43 -0.10 0.29 1.51 -0.13 -1.04 117.35 123.00 3ixj s TYR 334 Ca 0.06 1.15 -0.03 0.00 -1.01 0.00 0.00 57.07 57.24 3ixj s TYR 334 Cb -0.17 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 3ixj s TYR 334 CO 0.09 -0.17 0.01 -0.51 -1.11 0.00 0.00 175.55 173.86 3ixj s LEU 335 N 1.89 3.64 0.22 -1.29 1.43 0.16 -0.68 118.68 124.05 3ixj s LEU 335 Ca 0.35 0.16 -0.32 0.00 -1.03 0.00 0.00 54.13 53.29 3ixj s LEU 335 Cb -0.16 -1.84 -0.12 0.00 0.03 0.00 0.00 46.19 44.09 3ixj s LEU 335 CO 0.13 0.36 1.71 0.80 0.23 0.00 0.00 176.35 179.58 3ixj n MET 336 N 2.25 2.78 -1.62 1.70 0.00 -0.85 -2.69 117.12 118.69 3ixj n MET 336 Ca -0.19 1.00 -0.30 0.00 -0.00 0.00 0.00 57.70 58.22 3ixj n MET 336 Cb 0.54 -2.84 0.09 0.00 0.00 0.00 0.00 33.22 31.01 3ixj n MET 336 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3ixj s GLY 337 N 1.06 1.61 0.34 -5.12 0.00 -1.26 -4.00 107.32 99.95 3ixj s GLY 337 Ca 0.73 -0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.17 3ixj s GLY 337 CO 0.35 0.13 1.91 0.83 0.00 0.00 0.00 173.10 176.32 3ixj h GLU 338 N -1.11 0.59 -6.50 2.90 5.08 -1.80 -3.38 114.58 110.37 3ixj h GLU 338 Ca -0.47 -0.10 -0.70 0.00 -1.00 0.00 0.00 59.36 57.09 3ixj h GLU 338 Cb 1.28 -0.10 -0.28 0.00 0.50 0.00 0.00 28.75 30.16 3ixj h GLU 338 CO 0.61 0.54 -0.85 0.54 -1.00 0.00 0.00 179.01 178.85 3ixj s VAL 339 N -5.16 2.41 -2.00 3.13 0.11 -1.26 -5.01 120.40 112.62 3ixj s VAL 339 Ca -0.08 -0.97 0.28 0.00 -2.93 0.00 0.00 61.98 58.28 3ixj s VAL 339 Cb 0.16 -1.88 0.80 0.00 -1.53 0.00 0.00 36.38 33.94 3ixj s VAL 339 CO 0.76 0.58 2.08 0.35 -3.33 0.00 0.00 175.10 175.55 3ixj n THR 340 N 2.40 0.00 -0.02 5.04 -2.24 -1.26 -0.99 114.28 117.21 3ixj n THR 340 Ca -0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 3ixj n THR 340 Cb 0.51 -0.44 0.24 0.00 -2.10 0.00 0.00 70.33 68.54 3ixj n THR 340 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3ixj n ASN 341 N -0.94 3.51 -1.61 3.42 6.94 -1.26 -1.59 115.26 123.73 3ixj n ASN 341 Ca 0.21 -1.97 -0.08 0.00 -0.02 0.00 0.00 54.58 52.72 3ixj n ASN 341 Cb 0.10 -0.33 0.09 0.00 -2.36 0.00 0.00 39.78 37.28 3ixj n ASN 341 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ixj n GLN 342 N 1.37 2.36 -1.48 -3.83 6.02 -0.17 -4.09 117.38 117.57 3ixj n GLN 342 Ca 0.20 -3.59 -0.29 0.00 -0.01 0.00 0.00 57.00 53.30 3ixj n GLN 342 Cb 0.57 -1.76 0.13 0.00 1.02 0.00 0.00 30.24 30.20 3ixj n GLN 342 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3ixj s SER 343 N -3.36 3.73 0.11 1.08 0.01 -0.55 -4.28 113.70 110.44 3ixj s SER 343 Ca 0.42 1.14 -0.11 0.00 1.31 0.00 0.00 55.95 58.70 3ixj s SER 343 Cb 0.38 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.84 3ixj s SER 343 CO -0.03 -2.43 0.27 0.72 0.41 0.00 0.00 173.24 172.18 3ixj s PHE 344 N -3.18 0.04 0.02 2.43 -0.71 -1.09 -0.12 117.98 115.35 3ixj s PHE 344 Ca 0.63 -0.42 0.06 0.00 -1.04 0.00 0.00 56.93 56.15 3ixj s PHE 344 Cb -0.15 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 3ixj s PHE 344 CO 0.54 -0.61 -0.15 -0.98 -1.34 0.00 0.00 175.22 172.69 3ixj s ARG 345 N -3.85 2.26 -0.17 1.99 1.70 -0.05 -0.67 118.95 120.16 3ixj s ARG 345 Ca 0.05 -0.87 -0.03 0.00 -0.47 0.00 0.00 55.73 54.40 3ixj s ARG 345 Cb 0.04 -2.29 -0.02 0.00 -0.57 0.00 0.00 34.95 32.10 3ixj s ARG 345 CO -0.11 0.57 -0.05 0.96 -1.08 0.00 0.00 175.30 175.59 3ixj s ILE 346 N -0.91 3.67 -0.18 4.99 -4.36 -0.20 -1.19 121.20 123.01 3ixj s ILE 346 Ca 0.15 -0.43 -0.05 0.00 -0.26 0.00 0.00 60.65 60.06 3ixj s ILE 346 Cb -0.11 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 3ixj s ILE 346 CO 0.05 0.48 -0.00 -0.89 0.24 0.00 0.00 174.94 174.82 3ixj s THR 347 N 0.65 4.12 -0.05 8.37 2.01 0.36 -1.40 115.64 129.69 3ixj s THR 347 Ca -0.03 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3ixj s THR 347 Cb -0.15 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 3ixj s THR 347 CO 0.02 0.46 -0.10 0.27 -0.69 0.00 0.00 174.62 174.59 3ixj s ILE 348 N 0.61 3.45 0.40 1.82 -4.36 -0.13 -3.13 121.20 119.86 3ixj s ILE 348 Ca -0.00 -0.60 -0.06 0.00 -0.26 0.00 0.00 60.65 59.73 3ixj s ILE 348 Cb -0.14 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.13 3ixj s ILE 348 CO 0.02 0.58 0.69 -0.76 0.24 0.00 0.00 174.94 175.72 3ixj s LEU 349 N -0.83 3.83 0.54 0.37 1.43 -1.26 -2.00 118.68 120.77 3ixj s LEU 349 Ca 0.12 0.86 0.27 0.00 -1.03 0.00 0.00 54.13 54.35 3ixj s LEU 349 Cb -0.11 -3.75 1.44 0.00 0.03 0.00 0.00 46.19 43.80 3ixj s LEU 349 CO 0.01 -0.41 1.97 1.55 0.23 0.00 0.00 176.35 179.71 3ixj h PRO 350 N 0.88 0.00 0.00 1.29 0.13 -1.83 -0.27 132.00 132.20 3ixj h PRO 350 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3ixj h PRO 350 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ixj h PRO 350 CO 0.63 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.36 3ixj h GLN 351 N 0.00 0.00 0.12 0.86 7.50 -1.94 0.32 115.11 121.97 3ixj h GLN 351 Ca 0.26 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 59.07 3ixj h GLN 351 Cb 1.11 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.62 3ixj h GLN 351 CO -0.00 0.00 -1.80 1.96 -1.50 0.00 0.00 178.83 177.49 3ixj h GLN 352 N 0.00 0.26 -0.00 1.46 4.20 -1.38 -3.40 115.11 116.25 3ixj h GLN 352 Ca 0.00 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3ixj h GLN 352 Cb 0.10 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3ixj h GLN 352 CO 0.00 1.12 -0.83 2.48 -0.67 0.00 0.00 178.83 180.93 3ixj n TYR 353 N -3.44 0.00 -3.47 2.96 0.18 -0.97 -4.61 117.16 107.81 3ixj n TYR 353 Ca -0.25 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.10 3ixj n TYR 353 Cb 1.05 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.95 3ixj n TYR 353 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3ixj s LEU 354 N -2.82 5.98 -0.06 -3.48 1.43 0.11 -1.04 118.68 118.80 3ixj s LEU 354 Ca 0.10 -2.19 -0.22 0.00 -1.03 0.00 0.00 54.13 50.79 3ixj s LEU 354 Cb 0.16 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3ixj s LEU 354 CO 0.76 -0.66 0.66 -0.13 0.23 0.00 0.00 176.35 177.21 3ixj s ARG 355 N 0.96 4.42 0.15 1.70 0.52 -0.42 -4.69 118.95 121.58 3ixj s ARG 355 Ca 0.09 0.82 -0.31 0.00 -0.52 0.00 0.00 55.73 55.81 3ixj s ARG 355 Cb -0.23 -3.43 -0.08 0.00 0.52 0.00 0.00 34.95 31.73 3ixj s ARG 355 CO -0.02 0.11 1.35 -1.25 0.02 0.00 0.00 175.30 175.52 3ixj s PRO 356 N 0.65 4.35 -0.17 3.54 0.04 -1.26 -1.08 135.00 141.06 3ixj s PRO 356 Ca 0.35 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3ixj s PRO 356 Cb -0.18 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.18 3ixj s PRO 356 CO 0.17 -0.36 -0.11 0.08 0.04 0.00 0.00 177.00 176.82 3ixj s VAL 357 N 0.66 1.52 0.23 -0.36 1.01 -0.42 -4.91 120.40 118.12 3ixj s VAL 357 Ca 0.61 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3ixj s VAL 357 Cb -0.37 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 3ixj s VAL 357 CO 0.34 0.29 1.04 -1.83 0.00 0.00 0.00 175.10 174.94 3ixj s GLU 358 N 1.48 4.70 0.00 2.72 4.04 -1.26 -4.28 118.70 126.09 3ixj s GLU 358 Ca 0.02 1.67 0.00 0.00 0.04 0.00 0.00 54.97 56.69 3ixj s GLU 358 Cb -0.15 -3.25 0.00 0.00 0.02 0.00 0.00 34.13 30.75 3ixj s GLU 358 CO -0.09 0.27 0.00 0.45 -1.84 0.00 0.00 175.26 174.04 3ixj n SER 363 N 1.70 -1.06 -1.42 0.83 2.88 -1.26 -4.96 113.62 110.33 3ixj n SER 363 Ca -0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 3ixj n SER 363 Cb 0.46 -0.53 0.04 0.00 -0.75 0.00 0.00 64.21 63.43 3ixj n SER 363 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ixj n GLN 364 N -0.06 0.17 -3.09 -1.46 10.64 -1.26 -5.12 117.38 117.21 3ixj n GLN 364 Ca 0.00 -2.14 -0.24 0.00 -1.83 0.00 0.00 57.00 52.79 3ixj n GLN 364 Cb 0.00 -0.17 -0.00 0.00 -0.86 0.00 0.00 30.24 29.21 3ixj n GLN 364 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3ixj s ASP 365 N -2.13 6.11 -0.42 2.61 1.01 -1.26 -3.68 116.67 118.91 3ixj s ASP 365 Ca 0.34 0.48 -0.20 0.00 0.71 0.00 0.00 52.55 53.89 3ixj s ASP 365 Cb 0.39 -1.89 0.02 0.00 1.01 0.00 0.00 42.92 42.45 3ixj s ASP 365 CO -0.16 -0.50 0.62 -1.81 0.21 0.00 0.00 175.17 173.52 3ixj s ASP 366 N -4.12 6.33 0.09 0.27 1.01 0.16 -4.81 116.67 115.60 3ixj s ASP 366 Ca 0.44 -0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.52 3ixj s ASP 366 Cb -0.10 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 3ixj s ASP 366 CO 0.38 -0.71 -0.18 0.00 0.21 0.00 0.00 175.17 174.87 3ixj s TYR 368 N -1.07 -0.02 -0.00 0.00 2.02 0.11 -1.31 117.35 117.08 3ixj s TYR 368 Ca 0.17 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 3ixj s TYR 368 Cb -0.11 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.40 3ixj s TYR 368 CO 0.08 -0.19 -0.05 -1.59 -1.57 0.00 0.00 175.55 172.24 3ixj s LYS 369 N -0.79 2.63 -0.31 -0.62 -2.85 -0.25 -1.70 119.74 115.85 3ixj s LYS 369 Ca -0.09 -0.68 -0.29 0.00 -1.00 0.00 0.00 55.97 53.92 3ixj s LYS 369 Cb -0.05 -2.56 -0.01 0.00 -2.06 0.00 0.00 37.83 33.15 3ixj s LYS 369 CO 0.01 0.61 1.57 0.12 0.10 0.00 0.00 175.35 177.76 3ixj s PHE 370 N -1.01 2.18 -0.39 1.78 5.36 -1.26 -1.30 117.98 123.35 3ixj s PHE 370 Ca 0.17 0.64 0.06 0.00 -0.96 0.00 0.00 56.93 56.84 3ixj s PHE 370 Cb -0.11 -4.11 0.60 0.00 -0.34 0.00 0.00 43.02 39.06 3ixj s PHE 370 CO 0.08 -2.51 1.74 0.00 -1.46 0.00 0.00 175.22 173.06 3ixj n ALA 371 N 8.94 5.11 -3.36 11.12 0.00 -0.21 -4.43 120.51 137.68 3ixj n ALA 371 Ca 0.19 -3.01 -0.35 0.00 0.00 0.00 0.00 53.44 50.27 3ixj n ALA 371 Cb 0.47 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 3ixj n ALA 371 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ixj s ILE 372 N -3.29 3.41 0.21 0.00 1.01 -1.26 -2.05 121.20 119.23 3ixj s ILE 372 Ca 0.52 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.69 3ixj s ILE 372 Cb 0.45 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3ixj s ILE 372 CO 0.06 0.45 0.05 -0.94 0.00 0.00 0.00 174.94 174.56 3ixj s SER 373 N 1.17 1.13 0.25 3.58 1.04 -0.74 -4.87 113.70 115.26 3ixj s SER 373 Ca 0.02 -1.28 -0.22 0.00 0.48 0.00 0.00 55.95 54.95 3ixj s SER 373 Cb -0.14 0.16 -0.09 0.00 0.10 0.00 0.00 66.02 66.04 3ixj s SER 373 CO -0.01 -0.66 0.80 -1.58 0.98 0.00 0.00 173.24 172.77 3ixj s GLN 374 N -3.98 4.39 0.05 4.02 0.74 -1.26 -0.78 119.66 122.83 3ixj s GLN 374 Ca 0.31 1.05 0.03 0.00 0.05 0.00 0.00 55.36 56.80 3ixj s GLN 374 Cb 0.07 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 3ixj s GLN 374 CO 0.09 0.37 -0.10 0.45 -0.55 0.00 0.00 175.29 175.55 3ixj s SER 375 N -1.60 1.13 0.00 6.67 0.15 0.86 -4.75 113.70 116.16 3ixj s SER 375 Ca 0.45 -0.54 0.07 0.00 0.70 0.00 0.00 55.95 56.63 3ixj s SER 375 Cb -0.18 -0.00 0.20 0.00 -1.71 0.00 0.00 66.02 64.33 3ixj s SER 375 CO 0.22 -0.14 1.16 -1.54 1.20 0.00 0.00 173.24 174.15 3ixj n SER 376 N 1.51 2.60 -0.30 5.45 3.41 -1.26 -2.60 113.62 122.43 3ixj n SER 376 Ca -0.22 -1.99 0.08 0.00 -0.26 0.00 0.00 58.87 56.48 3ixj n SER 376 Cb 0.55 -0.15 0.14 0.00 -0.26 0.00 0.00 64.21 64.48 3ixj n SER 376 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ixj n THR 377 N 0.19 1.72 0.00 6.66 -2.24 -1.26 -4.82 114.28 114.52 3ixj n THR 377 Ca 0.08 -2.25 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 3ixj n THR 377 Cb 0.37 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3ixj n THR 377 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixj n GLY 378 N -1.15 -4.18 3.72 3.38 0.00 -1.20 -4.36 105.19 101.40 3ixj n GLY 378 Ca 0.15 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3ixj n GLY 378 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixj s THR 379 N -0.92 3.78 -0.25 2.61 2.01 0.12 -4.33 115.64 118.67 3ixj s THR 379 Ca 0.00 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.36 3ixj s THR 379 Cb 0.00 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.68 3ixj s THR 379 CO 0.00 0.15 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.31 3ixj s VAL 380 N 0.61 2.56 -0.99 3.82 1.01 -0.01 -1.01 120.40 126.39 3ixj s VAL 380 Ca 0.57 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3ixj s VAL 380 Cb -0.31 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 33.80 3ixj s VAL 380 CO 0.32 0.11 1.27 -0.04 0.00 0.00 0.00 175.10 176.76 3ixj s MET 381 N 1.23 3.64 0.00 2.72 -1.94 0.46 -1.05 119.30 124.36 3ixj s MET 381 Ca -0.03 -1.60 0.00 0.00 -1.71 0.00 0.00 55.69 52.35 3ixj s MET 381 Cb -0.18 -5.10 0.00 0.00 2.01 0.00 0.00 34.83 31.56 3ixj s MET 381 CO -0.05 -1.94 0.00 0.41 -0.01 0.00 0.00 175.02 173.43 3ixj n GLY 382 N 5.89 0.23 0.27 -0.03 0.00 -0.97 -1.25 105.19 109.33 3ixj n GLY 382 Ca 0.29 -1.71 0.05 0.00 0.00 0.00 0.00 46.02 44.65 3ixj n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixj h ALA 383 N -1.74 1.77 -0.75 4.61 0.00 -0.41 -0.98 119.26 121.77 3ixj h ALA 383 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.99 3ixj h ALA 383 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 3ixj h ALA 383 CO 0.00 0.18 0.28 0.28 0.00 0.00 0.00 179.25 180.00 3ixj h VAL 384 N 0.25 0.64 0.05 0.00 2.07 -1.52 -0.26 116.25 117.49 3ixj h VAL 384 Ca 0.06 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3ixj h VAL 384 Cb 0.07 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3ixj h VAL 384 CO -0.01 0.08 -0.03 0.40 0.02 0.00 0.00 177.57 178.03 3ixj h ILE 385 N 0.42 1.17 0.00 4.57 1.08 -1.64 -3.39 117.51 119.72 3ixj h ILE 385 Ca 0.41 -1.60 -0.05 0.00 -0.39 0.00 0.00 64.86 63.23 3ixj h ILE 385 Cb 0.63 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 3ixj h ILE 385 CO -0.41 0.35 -0.24 0.24 -0.69 0.00 0.00 178.15 177.40 3ixj h MET 386 N -0.89 0.00 -0.45 2.37 2.86 -0.91 -3.15 114.93 114.77 3ixj h MET 386 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3ixj h MET 386 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3ixj h MET 386 CO 0.01 0.24 0.11 0.93 1.06 0.00 0.00 176.91 179.26 3ixj h GLU 387 N 0.00 0.67 0.00 1.72 5.08 -1.22 -2.27 114.58 118.57 3ixj h GLU 387 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3ixj h GLU 387 Cb 0.52 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ixj h GLU 387 CO 0.03 0.61 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 3ixj n GLY 388 N -0.97 -0.98 3.18 -3.84 0.00 -1.19 -4.64 105.19 96.75 3ixj n GLY 388 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3ixj n GLY 388 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ixj s PHE 389 N -2.97 0.99 -0.40 1.61 0.08 -0.85 -1.73 117.98 114.70 3ixj s PHE 389 Ca 0.07 -0.77 -0.18 0.00 0.12 0.00 0.00 56.93 56.18 3ixj s PHE 389 Cb 0.09 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 42.01 3ixj s PHE 389 CO 0.26 -0.05 0.46 -0.47 -0.10 0.00 0.00 175.22 175.32 3ixj s TYR 390 N -3.01 3.16 -0.30 0.36 5.04 0.16 -4.31 117.35 118.45 3ixj s TYR 390 Ca 0.09 -0.20 -0.08 0.00 -2.44 0.00 0.00 57.07 54.44 3ixj s TYR 390 Cb 0.01 -2.93 0.00 0.00 0.35 0.00 0.00 41.96 39.40 3ixj s TYR 390 CO -0.02 -0.66 0.12 0.08 -1.34 0.00 0.00 175.55 173.73 3ixj s VAL 391 N 2.25 4.27 -0.30 3.14 1.01 -0.44 -2.14 120.40 128.19 3ixj s VAL 391 Ca 0.14 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 3ixj s VAL 391 Cb -0.16 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3ixj s VAL 391 CO 0.14 0.07 0.33 -0.69 0.00 0.00 0.00 175.10 174.95 3ixj s VAL 392 N 1.55 5.20 -1.14 2.92 1.01 0.24 -0.42 120.40 129.77 3ixj s VAL 392 Ca 0.04 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 3ixj s VAL 392 Cb -0.17 -3.72 0.22 0.00 0.00 0.00 0.00 36.38 32.72 3ixj s VAL 392 CO 0.04 0.07 1.25 -0.36 0.00 0.00 0.00 175.10 176.10 3ixj s PHE 393 N 1.98 3.88 -1.17 5.22 0.40 0.86 -0.53 117.98 128.63 3ixj s PHE 393 Ca 0.12 -2.39 -0.19 0.00 -0.60 0.00 0.00 56.93 53.88 3ixj s PHE 393 Cb -0.16 -4.07 0.09 0.00 0.51 0.00 0.00 43.02 39.39 3ixj s PHE 393 CO 0.11 -1.17 1.54 0.34 0.70 0.00 0.00 175.22 176.74 3ixj s ASP 394 N 2.09 6.77 0.27 1.36 2.15 -0.55 -2.68 116.67 126.08 3ixj s ASP 394 Ca 0.36 -2.25 0.02 0.00 0.43 0.00 0.00 52.55 51.11 3ixj s ASP 394 Cb -0.07 -2.52 0.37 0.00 -0.30 0.00 0.00 42.92 40.40 3ixj s ASP 394 CO -0.04 -1.17 1.69 0.03 -0.17 0.00 0.00 175.17 175.51 3ixj h ARG 395 N 8.21 0.50 -0.23 4.34 3.08 -1.75 -1.31 114.38 127.23 3ixj h ARG 395 Ca 0.33 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3ixj h ARG 395 Cb 0.92 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3ixj h ARG 395 CO 1.37 0.74 0.09 0.00 -1.07 0.00 0.00 179.97 181.09 3ixj h ALA 396 N 1.26 1.72 -0.21 0.04 0.00 -1.58 -2.80 119.26 117.69 3ixj h ALA 396 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ixj h ALA 396 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ixj h ALA 396 CO 0.05 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.07 3ixj n ARG 397 N -4.44 2.86 -3.70 0.00 1.74 -1.11 -5.01 116.66 107.01 3ixj n ARG 397 Ca 0.00 -1.95 -0.23 0.00 -0.77 0.00 0.00 57.85 54.91 3ixj n ARG 397 Cb 0.13 -1.23 0.03 0.00 -1.02 0.00 0.00 32.46 30.37 3ixj n ARG 397 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3ixj n LYS 398 N 0.04 -3.97 -3.64 5.56 4.81 -0.56 -4.91 118.16 115.48 3ixj n LYS 398 Ca 0.09 0.59 -0.12 0.00 -0.87 0.00 0.00 58.31 58.00 3ixj n LYS 398 Cb 0.41 -4.98 -0.05 0.00 0.02 0.00 0.00 35.03 30.42 3ixj n LYS 398 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3ixj s ARG 399 N -5.93 1.00 -0.13 1.64 1.70 -0.80 -0.64 118.95 115.78 3ixj s ARG 399 Ca 0.10 -0.51 0.02 0.00 -0.47 0.00 0.00 55.73 54.87 3ixj s ARG 399 Cb -0.03 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 3ixj s ARG 399 CO 0.82 -0.37 -0.19 0.42 -1.08 0.00 0.00 175.30 174.90 3ixj s ILE 400 N -3.08 1.86 0.01 4.99 1.01 0.79 -1.48 121.20 125.30 3ixj s ILE 400 Ca -0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3ixj s ILE 400 Cb 0.00 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3ixj s ILE 400 CO -0.07 0.51 0.31 -0.83 0.00 0.00 0.00 174.94 174.86 3ixj s GLY 401 N 0.94 2.30 -0.03 6.18 0.00 0.31 -1.09 107.32 115.92 3ixj s GLY 401 Ca -0.05 -0.48 0.05 0.00 0.00 0.00 0.00 44.72 44.23 3ixj s GLY 401 CO -0.03 -0.25 -0.18 -1.36 0.00 0.00 0.00 173.10 171.28 3ixj s PHE 402 N -1.26 1.71 0.01 1.90 0.40 0.29 -0.59 117.98 120.45 3ixj s PHE 402 Ca 0.27 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 3ixj s PHE 402 Cb -0.14 -1.13 0.01 0.00 0.51 0.00 0.00 43.02 42.27 3ixj s PHE 402 CO 0.15 -0.12 0.22 0.00 0.70 0.00 0.00 175.22 176.17 3ixj s ALA 403 N -0.12 -0.50 0.05 5.36 0.00 -0.91 -0.99 121.76 124.64 3ixj s ALA 403 Ca -0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.62 3ixj s ALA 403 Cb -0.10 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 3ixj s ALA 403 CO 0.01 -0.29 1.63 0.54 0.00 0.00 0.00 175.76 177.66 3ixj s VAL 404 N -1.82 3.16 0.65 0.00 0.11 -1.25 0.39 120.40 121.64 3ixj s VAL 404 Ca -0.11 0.56 -0.16 0.00 -2.93 0.00 0.00 61.98 59.35 3ixj s VAL 404 Cb -0.04 -3.36 -0.00 0.00 -1.53 0.00 0.00 36.38 31.44 3ixj s VAL 404 CO 0.00 -0.01 1.12 -0.55 -3.33 0.00 0.00 175.10 172.34 3ixj s SER 405 N 2.47 5.09 0.50 3.54 0.15 -0.71 -1.77 113.70 122.97 3ixj s SER 405 Ca 0.73 2.06 0.27 0.00 0.70 0.00 0.00 55.95 59.71 3ixj s SER 405 Cb -0.38 -2.56 1.29 0.00 -1.71 0.00 0.00 66.02 62.66 3ixj s SER 405 CO 0.32 -1.65 1.99 0.00 1.20 0.00 0.00 173.24 175.10 3ixj h ALA 406 N 0.14 1.17 -0.84 5.45 0.00 -1.13 -3.18 119.26 120.88 3ixj h ALA 406 Ca -0.47 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 53.75 3ixj h ALA 406 Cb 1.25 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.72 3ixj h ALA 406 CO 0.54 0.19 0.31 0.00 0.00 0.00 0.00 179.25 180.29 3ixj s HIS 408 N -3.61 1.56 0.11 0.00 -0.00 -1.20 -4.63 115.29 107.52 3ixj s HIS 408 Ca 0.58 1.26 -0.19 0.00 -0.00 0.00 0.00 55.06 56.71 3ixj s HIS 408 Cb 0.47 -3.16 -0.07 0.00 -0.00 0.00 0.00 32.58 29.82 3ixj s HIS 408 CO 0.02 -3.48 0.60 0.14 -0.00 0.00 0.00 174.74 172.02 3ixj s VAL 409 N -2.59 4.71 -0.93 -5.38 -7.23 -1.26 -5.03 120.40 102.69 3ixj s VAL 409 Ca 0.67 1.19 -0.02 0.00 -1.81 0.00 0.00 61.98 62.01 3ixj s VAL 409 Cb -0.23 -3.88 0.25 0.00 0.56 0.00 0.00 36.38 33.08 3ixj s VAL 409 CO 0.62 0.45 0.96 1.57 -0.31 0.00 0.00 175.10 178.39 3ixj n HIS 410 N 1.41 3.94 -2.14 2.82 -0.00 -1.26 -4.76 115.22 115.23 3ixj n HIS 410 Ca -0.08 -3.82 -0.38 0.00 0.46 0.00 0.00 57.72 53.90 3ixj n HIS 410 Cb 0.51 -1.16 0.00 0.00 -0.12 0.00 0.00 29.99 29.22 3ixj n HIS 410 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3ixj s ASP 411 N -0.58 6.04 0.37 0.26 2.15 -1.26 -4.95 116.67 118.70 3ixj s ASP 411 Ca 0.30 2.45 0.12 0.00 0.43 0.00 0.00 52.55 55.85 3ixj s ASP 411 Cb -0.02 -2.61 0.70 0.00 -0.30 0.00 0.00 42.92 40.68 3ixj s ASP 411 CO -0.06 -1.02 1.82 -0.08 -0.17 0.00 0.00 175.17 175.66 3ixj h GLU 412 N 2.06 0.02 0.00 4.34 4.81 -2.05 -3.34 114.58 120.43 3ixj h GLU 412 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3ixj h GLU 412 Cb 1.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3ixj h GLU 412 CO 0.60 0.39 0.00 1.19 -0.73 0.00 0.00 179.01 180.46 3ixj n PHE 413 N -4.09 0.00 -4.39 0.92 3.72 -1.26 -5.07 117.46 107.29 3ixj n PHE 413 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 3ixj n PHE 413 Cb 0.41 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.82 3ixj n PHE 413 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ixj s ARG 414 N -0.52 1.02 -0.06 -1.08 0.52 -1.25 -5.15 118.95 112.43 3ixj s ARG 414 Ca 0.00 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 3ixj s ARG 414 Cb 0.00 -1.06 0.01 0.00 0.52 0.00 0.00 34.95 34.42 3ixj s ARG 414 CO 0.00 0.26 -0.13 0.99 0.02 0.00 0.00 175.30 176.44 3ixj s THR 415 N -0.90 1.20 0.20 0.02 2.01 -1.26 -4.05 115.64 112.86 3ixj s THR 415 Ca 0.03 -0.53 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 3ixj s THR 415 Cb -0.08 -1.08 -0.11 0.00 0.01 0.00 0.00 72.50 71.24 3ixj s THR 415 CO 0.02 0.37 1.59 0.00 -0.69 0.00 0.00 174.62 175.90 3ixj s ALA 416 N 0.52 3.79 0.07 7.40 0.00 -1.26 -4.99 121.76 127.29 3ixj s ALA 416 Ca -0.12 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3ixj s ALA 416 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 3ixj s ALA 416 CO 0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 175.76 174.89 3ixj s ALA 417 N 0.87 0.82 -0.29 0.00 0.00 -1.18 -4.93 121.76 117.05 3ixj s ALA 417 Ca 0.69 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3ixj s ALA 417 Cb -0.45 0.08 0.06 0.00 0.00 0.00 0.00 23.12 22.80 3ixj s ALA 417 CO 0.35 -0.10 -0.04 0.08 0.00 0.00 0.00 175.76 176.05 3ixj s VAL 418 N -2.36 2.66 -0.02 0.00 1.01 -1.26 -0.48 120.40 119.94 3ixj s VAL 418 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 61.98 60.51 3ixj s VAL 418 Cb -0.03 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3ixj s VAL 418 CO -0.02 -0.10 -0.16 -1.61 0.00 0.00 0.00 175.10 173.21 3ixj s GLU 419 N 1.18 1.46 0.40 2.72 2.02 -0.34 -4.91 118.70 121.23 3ixj s GLU 419 Ca -0.06 -0.57 -0.15 0.00 0.02 0.00 0.00 54.97 54.21 3ixj s GLU 419 Cb -0.20 -1.35 0.06 0.00 0.10 0.00 0.00 34.13 32.74 3ixj s GLU 419 CO -0.03 0.29 0.79 0.20 0.02 0.00 0.00 175.26 176.54 3ixj s GLY 420 N -0.19 0.46 0.44 -1.39 0.00 -1.26 -0.88 107.32 104.50 3ixj s GLY 420 Ca 0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 3ixj s GLY 420 CO 0.00 -0.35 0.81 2.56 0.00 0.00 0.00 173.10 176.12 3ixj s PRO 421 N -2.11 3.77 0.02 2.90 0.04 -1.26 -5.09 135.00 133.25 3ixj s PRO 421 Ca 0.16 0.52 0.05 0.00 0.04 0.00 0.00 61.00 61.76 3ixj s PRO 421 Cb -0.05 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3ixj s PRO 421 CO 0.12 -0.11 -0.14 -0.06 0.04 0.00 0.00 177.00 176.85 3ixj s PHE 422 N -2.48 1.24 -0.10 0.56 0.40 0.82 -4.93 117.98 113.50 3ixj s PHE 422 Ca 0.52 -0.29 -0.20 0.00 -0.60 0.00 0.00 56.93 56.36 3ixj s PHE 422 Cb -0.10 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 3ixj s PHE 422 CO 0.34 0.01 0.54 0.14 0.70 0.00 0.00 175.22 176.94 3ixj s VAL 423 N -0.59 5.14 0.25 -0.44 -7.23 -1.26 -1.48 120.40 114.79 3ixj s VAL 423 Ca 0.04 1.09 0.02 0.00 -1.81 0.00 0.00 61.98 61.31 3ixj s VAL 423 Cb -0.07 -3.88 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 3ixj s VAL 423 CO 0.00 0.32 0.18 0.42 -0.31 0.00 0.00 175.10 175.71 3ixj s THR 424 N 0.60 0.02 0.84 5.32 -4.23 -0.62 -5.01 115.64 112.57 3ixj s THR 424 Ca 0.29 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 3ixj s THR 424 Cb -0.16 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.28 3ixj s THR 424 CO 0.13 0.00 1.15 -0.76 -0.54 0.00 0.00 174.62 174.60 3ixj s LEU 425 N -3.24 3.00 0.00 4.79 1.02 -1.26 -4.85 118.68 118.13 3ixj s LEU 425 Ca 0.40 2.18 0.00 0.00 0.02 0.00 0.00 54.13 56.72 3ixj s LEU 425 Cb 0.05 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.70 3ixj s LEU 425 CO 0.18 -2.72 0.00 -0.90 0.02 0.00 0.00 176.35 172.93 3ixj n ASP 426 N -3.73 0.89 -0.01 2.29 5.75 -1.26 -4.92 116.55 115.57 3ixj n ASP 426 Ca 0.12 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 3ixj n ASP 426 Cb 0.52 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.91 3ixj n ASP 426 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 3ixj h MET 427 N 0.00 0.54 -0.15 0.11 1.85 -1.97 -1.78 114.93 113.53 3ixj h MET 427 Ca 0.00 -0.11 -0.09 0.00 -0.61 0.00 0.00 59.70 58.89 3ixj h MET 427 Cb 0.00 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.93 3ixj h MET 427 CO 0.00 0.55 -0.31 0.93 -0.40 0.00 0.00 176.91 177.68 3ixj h GLU 428 N 0.53 0.30 0.01 0.39 4.39 -1.96 0.14 114.58 118.38 3ixj h GLU 428 Ca 0.12 -0.12 -0.22 0.00 0.34 0.00 0.00 59.36 59.47 3ixj h GLU 428 Cb 0.29 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3ixj h GLU 428 CO 0.01 0.58 -1.11 -0.44 -1.16 0.00 0.00 179.01 176.89 3ixj h ASP 429 N 0.26 0.02 0.00 1.42 3.32 -1.81 -3.41 116.42 116.22 3ixj h ASP 429 Ca 0.04 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3ixj h ASP 429 Cb 0.68 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3ixj h ASP 429 CO 0.05 1.02 -1.04 0.00 -1.72 0.00 0.00 179.24 177.55 3ixj s GLY 431 N -2.50 1.96 0.11 0.00 0.00 0.48 -3.84 107.32 103.54 3ixj s GLY 431 Ca -0.00 0.84 -0.30 0.00 0.00 0.00 0.00 44.72 45.26 3ixj s GLY 431 CO 0.03 2.40 0.99 -0.47 0.00 0.00 0.00 173.10 176.05 3ixj s TYR 432 N 2.15 3.76 0.00 1.90 5.04 -1.26 -4.90 117.35 124.05 3ixj s TYR 432 Ca 0.62 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 57.00 3ixj s TYR 432 Cb -0.30 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 38.91 3ixj s TYR 432 CO 0.26 0.03 0.43 0.09 -1.34 0.00 0.00 175.55 175.02