#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixj h PHE 47 N 0.00 0.00 -0.92 0.66 0.04 -1.97 -3.17 116.94 111.57 3ixj h PHE 47 Ca 0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 3ixj h PHE 47 Cb 0.00 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.04 3ixj h PHE 47 CO 0.00 0.18 0.50 -0.39 -0.60 0.00 0.00 178.31 178.00 3ixj h VAL 48 N 0.00 0.66 0.00 -0.55 -1.51 -2.01 -0.42 116.25 112.43 3ixj h VAL 48 Ca -0.00 -0.22 -0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3ixj h VAL 48 Cb 0.78 -0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.91 3ixj h VAL 48 CO 0.02 0.12 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.13 3ixj h GLU 49 N 0.63 0.00 0.00 5.19 5.08 -1.94 -2.80 114.58 120.74 3ixj h GLU 49 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 3ixj h GLU 49 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3ixj h GLU 49 CO -0.41 0.02 -1.56 -1.33 -1.00 0.00 0.00 179.01 174.73 3ixj n MET 50 N -3.52 0.59 -1.78 2.33 2.81 -0.20 -4.73 117.12 112.63 3ixj n MET 50 Ca -0.03 -0.07 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 3ixj n MET 50 Cb 0.11 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 30.97 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 -3.43 2.07 -0.87 2.03 1.01 -0.99 -2.72 120.40 117.50 3ixj s VAL 51 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3ixj s VAL 51 Cb 0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3ixj s VAL 51 CO 0.86 0.01 0.00 -0.67 0.00 0.00 0.00 175.10 175.30 3ixj n ASP 52 N 1.96 -3.46 -0.47 3.32 2.03 -1.20 -4.93 116.55 113.81 3ixj n ASP 52 Ca 0.07 0.04 0.14 0.00 0.52 0.00 0.00 54.79 55.56 3ixj n ASP 52 Cb 0.38 -2.55 0.48 0.00 -0.72 0.00 0.00 41.12 38.71 3ixj n ASP 52 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3ixj n ASN 53 N 0.20 1.50 -4.73 1.67 6.94 -1.04 -4.84 115.26 114.97 3ixj n ASN 53 Ca -0.11 -1.43 -0.35 0.00 -0.02 0.00 0.00 54.58 52.66 3ixj n ASN 53 Cb 0.53 0.02 -0.09 0.00 -2.36 0.00 0.00 39.78 37.89 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 -2.07 3.78 0.21 -4.53 1.43 -0.61 -4.35 118.68 112.53 3ixj s LEU 54 Ca 0.36 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3ixj s LEU 54 Cb 0.21 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3ixj s LEU 54 CO 0.36 0.38 0.08 -0.13 0.23 0.00 0.00 176.35 177.27 3ixj s ARG 55 N -0.88 1.23 0.00 1.70 1.81 -0.73 -2.58 118.95 119.49 3ixj s ARG 55 Ca 0.13 -1.64 0.00 0.00 -1.72 0.00 0.00 55.73 52.51 3ixj s ARG 55 Cb -0.12 -0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.31 3ixj s ARG 55 CO 0.03 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.78 3ixj n GLY 56 N -0.32 -0.32 3.75 -3.53 0.00 -1.14 -0.76 105.19 102.87 3ixj n GLY 56 Ca -0.02 -1.08 -0.33 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 2.96 -0.14 1.61 -0.14 -1.26 -1.31 119.74 119.46 3ixj s LYS 57 Ca 0.00 -0.54 -0.35 0.00 -1.36 0.00 0.00 55.97 53.72 3ixj s LYS 57 Cb 0.00 -2.79 -0.12 0.00 -1.68 0.00 0.00 37.83 33.25 3ixj s LYS 57 CO 0.00 0.63 1.91 0.45 -0.76 0.00 0.00 175.35 177.58 3ixj n SER 58 N 1.21 3.25 -0.08 2.83 2.88 -1.26 -0.66 113.62 121.78 3ixj n SER 58 Ca -0.13 0.91 -0.01 0.00 -1.33 0.00 0.00 58.87 58.30 3ixj n SER 58 Cb 0.53 -1.35 -0.00 0.00 -0.75 0.00 0.00 64.21 62.63 3ixj n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ixj n GLY 59 N 4.62 0.48 0.00 0.46 0.00 -1.26 -4.90 105.19 104.59 3ixj n GLY 59 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.42 2.78 0.00 1.61 6.02 0.16 -5.06 117.38 120.47 3ixj n GLN 60 Ca -0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 3ixj n GLN 60 Cb 0.10 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 30.60 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 0.47 3.29 3.73 1.08 0.00 -1.23 -4.86 105.19 107.68 3ixj n GLY 61 Ca 0.00 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.90 3.48 0.08 1.61 1.51 -1.26 -4.03 117.35 116.84 3ixj s TYR 62 Ca 0.00 0.65 0.04 0.00 -1.01 0.00 0.00 57.07 56.74 3ixj s TYR 62 Cb 0.00 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 3ixj s TYR 62 CO 0.00 0.26 -0.10 1.52 -1.11 0.00 0.00 175.55 176.11 3ixj s TYR 63 N 0.39 1.00 0.03 2.71 -0.85 0.06 -1.02 117.35 119.68 3ixj s TYR 63 Ca 0.18 -0.58 0.08 0.00 -0.52 0.00 0.00 57.07 56.22 3ixj s TYR 63 Cb -0.13 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 41.62 3ixj s TYR 63 CO 0.05 -0.01 -0.22 0.54 -1.52 0.00 0.00 175.55 174.39 3ixj s VAL 64 N -1.98 2.51 0.05 -3.49 0.11 -0.24 -1.78 120.40 115.59 3ixj s VAL 64 Ca 0.00 -1.24 -0.31 0.00 -2.93 0.00 0.00 61.98 57.51 3ixj s VAL 64 Cb -0.06 -2.02 -0.05 0.00 -1.53 0.00 0.00 36.38 32.72 3ixj s VAL 64 CO 0.00 0.38 1.19 -0.70 -3.33 0.00 0.00 175.10 172.64 3ixj s GLU 65 N -1.28 4.43 0.09 1.54 2.12 -1.26 -0.97 118.70 123.37 3ixj s GLU 65 Ca 0.13 1.75 0.03 0.00 0.36 0.00 0.00 54.97 57.24 3ixj s GLU 65 Cb -0.10 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 3ixj s GLU 65 CO 0.03 -0.26 -0.09 -1.64 -0.54 0.00 0.00 175.26 172.77 3ixj s MET 66 N 1.11 0.78 -0.04 4.30 -1.94 -0.28 -4.04 119.30 119.18 3ixj s MET 66 Ca 0.58 -1.12 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 3ixj s MET 66 Cb -0.29 -0.40 -0.02 0.00 2.01 0.00 0.00 34.83 36.13 3ixj s MET 66 CO 0.29 0.05 -0.22 0.95 -0.01 0.00 0.00 175.02 176.08 3ixj s THR 67 N -2.51 2.38 -0.05 2.05 -4.23 0.08 -0.81 115.64 112.54 3ixj s THR 67 Ca 0.04 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 3ixj s THR 67 Cb -0.02 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 3ixj s THR 67 CO -0.01 0.58 -0.19 0.68 -0.54 0.00 0.00 174.62 175.14 3ixj s VAL 68 N -0.50 1.57 0.00 2.29 -7.23 0.52 -1.52 120.40 115.54 3ixj s VAL 68 Ca 0.06 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 3ixj s VAL 68 Cb -0.11 -1.35 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 0.00 175.10 175.86 3ixj n GLY 69 N 3.15 -3.38 2.77 2.32 0.00 0.10 -0.61 105.19 109.54 3ixj n GLY 69 Ca -0.18 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.15 2.10 0.57 1.61 0.01 -1.26 -2.72 113.70 112.85 3ixj s SER 70 Ca 0.00 -0.36 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 3ixj s SER 70 Cb 0.00 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 3ixj s SER 70 CO 0.00 -0.23 1.12 -2.16 0.41 0.00 0.00 173.24 172.38 3ixj s PRO 71 N 1.92 3.23 -0.31 12.44 0.04 -1.26 -0.89 135.00 150.17 3ixj s PRO 71 Ca 0.03 1.54 -0.42 0.00 0.04 0.00 0.00 61.00 62.19 3ixj s PRO 71 Cb -0.14 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.23 3ixj s PRO 71 CO -0.06 -0.93 1.66 -0.35 0.04 0.00 0.00 177.00 177.36 3ixj n PRO 72 N -1.58 0.80 -3.64 0.56 -0.04 -1.10 -4.93 135.00 125.06 3ixj n PRO 72 Ca 0.11 0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 63.50 3ixj n PRO 72 Cb 0.51 -1.92 -0.09 0.00 -0.04 0.00 0.00 33.50 31.97 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 3.12 4.13 -0.08 0.54 -0.21 0.22 -4.87 119.66 122.52 3ixj s GLN 73 Ca 0.99 -0.17 -0.20 0.00 0.02 0.00 0.00 55.36 56.00 3ixj s GLN 73 Cb -1.19 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 29.29 3ixj s GLN 73 CO 0.69 0.14 0.55 0.99 -2.12 0.00 0.00 175.29 175.54 3ixj s THR 74 N 0.82 5.10 -0.02 -0.19 2.01 -1.26 -0.35 115.64 121.74 3ixj s THR 74 Ca 0.10 1.12 -0.07 0.00 0.31 0.00 0.00 61.69 63.15 3ixj s THR 74 Cb -0.13 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.50 3ixj s THR 74 CO 0.03 0.33 0.15 -0.76 -0.69 0.00 0.00 174.62 173.68 3ixj s LEU 75 N 0.47 1.48 -0.11 4.42 1.43 0.01 -4.95 118.68 121.42 3ixj s LEU 75 Ca 0.30 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 3ixj s LEU 75 Cb -0.16 0.63 -0.04 0.00 0.03 0.00 0.00 46.19 46.64 3ixj s LEU 75 CO 0.14 -0.24 0.51 0.20 0.23 0.00 0.00 176.35 177.19 3ixj s ASN 76 N -0.76 6.73 -0.16 2.29 0.02 -1.26 -1.13 114.94 120.67 3ixj s ASN 76 Ca -0.09 0.87 0.00 0.00 -1.02 0.00 0.00 52.86 52.63 3ixj s ASN 76 Cb -0.05 -2.31 0.03 0.00 0.02 0.00 0.00 41.25 38.94 3ixj s ASN 76 CO 0.01 -0.02 -0.12 -0.63 0.02 0.00 0.00 177.10 176.35 3ixj s ILE 77 N 0.67 1.53 0.08 0.60 -1.09 -0.14 -0.51 121.20 122.33 3ixj s ILE 77 Ca 0.28 -0.69 -0.32 0.00 -2.23 0.00 0.00 60.65 57.69 3ixj s ILE 77 Cb -0.16 -1.49 -0.11 0.00 -1.58 0.00 0.00 42.46 39.13 3ixj s ILE 77 CO 0.12 0.38 1.83 -0.11 -1.23 0.00 0.00 174.94 175.92 3ixj n LEU 78 N 4.77 3.80 -4.65 2.97 7.94 0.19 -1.08 117.00 130.95 3ixj n LEU 78 Ca -0.16 0.99 -0.43 0.00 -1.11 0.00 0.00 56.01 55.30 3ixj n LEU 78 Cb 0.49 -1.49 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 3ixj n LEU 78 CO 0.21 0.07 1.06 -0.69 -1.11 0.00 0.00 177.39 176.92 3ixj s VAL 79 N 2.94 4.32 -0.28 1.96 1.01 -0.18 0.10 120.40 130.26 3ixj s VAL 79 Ca 0.85 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 64.36 3ixj s VAL 79 Cb -0.55 -4.15 0.09 0.00 0.00 0.00 0.00 36.38 31.77 3ixj s VAL 79 CO 0.41 -0.30 0.09 -0.62 0.00 0.00 0.00 175.10 174.67 3ixj s ASP 80 N 2.11 3.69 0.00 3.32 2.15 -0.09 -3.68 116.67 124.16 3ixj s ASP 80 Ca 0.53 -1.38 0.31 0.00 0.43 0.00 0.00 52.55 52.43 3ixj s ASP 80 Cb -0.18 -0.71 1.61 0.00 -0.30 0.00 0.00 42.92 43.34 3ixj s ASP 80 CO 0.16 -0.39 2.07 0.35 -0.17 0.00 0.00 175.17 177.19 3ixj n THR 81 N 4.97 0.00 1.31 1.71 -2.24 -1.26 -0.55 114.28 118.21 3ixj n THR 81 Ca -0.04 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 3ixj n THR 81 Cb 0.43 -0.24 0.39 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.29 3.31 3.38 0.00 -1.26 -4.20 105.19 107.23 3ixj n GLY 82 Ca 0.21 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.30 1.10 0.00 1.61 1.04 -1.24 -4.97 113.70 108.93 3ixj s SER 83 Ca 0.29 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 55.13 3ixj s SER 83 Cb 0.20 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.85 3ixj s SER 83 CO 0.45 -1.05 0.57 -1.20 0.98 0.00 0.00 173.24 172.99 3ixj n SER 84 N -1.16 0.76 -4.80 7.02 7.64 -1.26 -0.26 113.62 121.56 3ixj n SER 84 Ca 0.05 -1.31 -0.36 0.00 1.01 0.00 0.00 58.87 58.26 3ixj n SER 84 Cb 0.63 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.31 6.29 -0.42 6.43 -0.87 -1.26 -4.40 114.94 120.39 3ixj s ASN 85 Ca 0.00 0.34 -0.19 0.00 -1.57 0.00 0.00 52.86 51.44 3ixj s ASN 85 Cb 0.00 -2.08 0.02 0.00 -0.02 0.00 0.00 41.25 39.17 3ixj s ASN 85 CO 0.00 0.29 0.53 0.12 -2.57 0.00 0.00 177.10 175.47 3ixj s PHE 86 N -0.30 3.12 0.03 2.20 5.36 -1.26 -1.71 117.98 125.43 3ixj s PHE 86 Ca 0.11 -0.20 0.03 0.00 -0.96 0.00 0.00 56.93 55.92 3ixj s PHE 86 Cb -0.11 -3.09 -0.02 0.00 -0.34 0.00 0.00 43.02 39.45 3ixj s PHE 86 CO 0.01 -0.76 -0.10 0.00 -1.46 0.00 0.00 175.22 172.91 3ixj s ALA 87 N 2.45 0.77 0.02 11.12 0.00 -0.74 -1.45 121.76 133.94 3ixj s ALA 87 Ca 0.17 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3ixj s ALA 87 Cb -0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 3ixj s ALA 87 CO 0.16 0.10 -0.08 0.14 0.00 0.00 0.00 175.76 176.08 3ixj s VAL 88 N -0.89 0.63 0.09 0.00 -7.23 -0.67 -0.12 120.40 112.21 3ixj s VAL 88 Ca -0.03 -0.68 -0.35 0.00 -1.81 0.00 0.00 61.98 59.12 3ixj s VAL 88 Cb -0.07 -0.59 -0.14 0.00 0.56 0.00 0.00 36.38 36.13 3ixj s VAL 88 CO 0.01 -0.06 1.59 0.61 -0.31 0.00 0.00 175.10 176.94 3ixj n GLY 89 N 2.25 1.05 0.07 2.32 0.00 0.64 -0.36 105.19 111.15 3ixj n GLY 89 Ca -0.17 0.70 0.01 0.00 0.00 0.00 0.00 46.02 46.56 3ixj n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixj n ALA 90 N 3.83 1.61 -2.94 4.61 0.00 -0.44 -0.20 120.51 126.98 3ixj n ALA 90 Ca 0.18 -0.95 -0.11 0.00 0.00 0.00 0.00 53.44 52.56 3ixj n ALA 90 Cb 0.27 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.65 -0.30 0.22 0.00 0.00 -1.22 -4.75 121.76 115.06 3ixj s ALA 91 Ca 0.03 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 3ixj s ALA 91 Cb 0.03 0.20 -0.15 0.00 0.00 0.00 0.00 23.12 23.20 3ixj s ALA 91 CO 0.00 -0.29 1.03 -2.30 0.00 0.00 0.00 175.76 174.21 3ixj n PRO 92 N 1.02 1.11 -3.73 0.00 -0.02 -1.26 -4.95 135.00 127.16 3ixj n PRO 92 Ca -0.20 0.39 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 3ixj n PRO 92 Cb 0.57 -1.79 -0.11 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.63 -0.44 0.59 6.00 2.46 -1.26 -5.05 115.29 116.96 3ixj s HIS 93 Ca 0.66 1.02 0.29 0.00 0.47 0.00 0.00 55.06 57.51 3ixj s HIS 93 Cb -0.80 0.16 1.34 0.00 -0.13 0.00 0.00 32.58 33.15 3ixj s HIS 93 CO 0.56 -0.23 1.73 -1.00 -2.47 0.00 0.00 174.74 173.33 3ixj h PRO 94 N 6.12 0.00 -0.02 2.88 0.13 -2.04 -0.61 132.00 138.47 3ixj h PRO 94 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ixj h PRO 94 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ixj h PRO 94 CO 0.29 0.00 -0.37 1.19 -0.23 0.00 0.00 178.00 178.88 3ixj n PHE 95 N -3.59 0.00 -3.84 1.56 3.72 -1.26 -4.90 117.46 109.15 3ixj n PHE 95 Ca 0.13 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.18 3ixj n PHE 95 Cb 0.93 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 39.36 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 -2.39 3.85 0.03 4.37 1.43 -0.24 -4.63 118.68 121.10 3ixj s LEU 96 Ca 0.21 0.03 0.25 0.00 -1.03 0.00 0.00 54.13 53.59 3ixj s LEU 96 Cb 0.19 -2.01 0.42 0.00 0.03 0.00 0.00 46.19 44.82 3ixj s LEU 96 CO 0.52 0.09 1.35 1.41 0.23 0.00 0.00 176.35 179.95 3ixj n HIS 97 N 4.08 0.12 -3.72 0.29 8.25 -1.26 -4.62 115.22 118.37 3ixj n HIS 97 Ca -0.16 0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 3ixj n HIS 97 Cb 0.52 -0.34 -0.09 0.00 1.12 0.00 0.00 29.99 31.20 3ixj n HIS 97 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3ixj s ARG 98 N -3.05 0.59 0.21 -0.41 3.52 -1.26 -5.17 118.95 113.38 3ixj s ARG 98 Ca 0.09 0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 55.88 3ixj s ARG 98 Cb 0.16 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.85 3ixj s ARG 98 CO 0.72 -0.12 0.50 1.52 -0.81 0.00 0.00 175.30 177.11 3ixj s TYR 99 N -0.33 0.04 -0.32 5.12 -0.85 -1.26 -4.90 117.35 114.84 3ixj s TYR 99 Ca -0.05 -0.40 -0.26 0.00 -0.52 0.00 0.00 57.07 55.84 3ixj s TYR 99 Cb -0.03 0.32 0.01 0.00 0.38 0.00 0.00 41.96 42.64 3ixj s TYR 99 CO 0.02 -0.93 0.92 -0.47 -1.52 0.00 0.00 175.55 173.57 3ixj s TYR 100 N -3.92 3.17 -0.52 -3.49 5.04 0.73 -4.96 117.35 113.40 3ixj s TYR 100 Ca 0.13 0.96 -0.15 0.00 -2.44 0.00 0.00 57.07 55.57 3ixj s TYR 100 Cb -0.01 -3.46 0.12 0.00 0.35 0.00 0.00 41.96 38.97 3ixj s TYR 100 CO 0.01 -0.68 0.46 -0.65 -1.34 0.00 0.00 175.55 173.35 3ixj s GLN 101 N 3.29 2.88 0.31 4.97 -0.21 -1.26 -4.48 119.66 125.16 3ixj s GLN 101 Ca 0.38 -1.69 0.04 0.00 0.02 0.00 0.00 55.36 54.12 3ixj s GLN 101 Cb -0.13 -4.21 0.51 0.00 1.00 0.00 0.00 33.01 30.18 3ixj s GLN 101 CO 0.14 -1.28 1.78 0.00 -2.12 0.00 0.00 175.29 173.81 3ixj h ARG 102 N 8.79 0.42 0.00 2.91 3.08 -1.94 -2.56 114.38 125.08 3ixj h ARG 102 Ca -0.28 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 3ixj h ARG 102 Cb 1.10 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 3ixj h ARG 102 CO 0.99 0.61 -0.06 -0.56 -1.07 0.00 0.00 179.97 179.88 3ixj h GLN 103 N 0.38 0.00 -0.20 0.04 -0.00 -2.01 -2.57 115.11 110.74 3ixj h GLN 103 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3ixj h GLN 103 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.06 3ixj h GLN 103 CO 0.04 0.06 0.00 1.28 -0.00 0.00 0.00 178.83 180.21 3ixj n LEU 104 N -3.36 2.30 -4.34 0.06 4.77 -0.96 -4.87 117.00 110.60 3ixj n LEU 104 Ca -0.01 -0.94 -0.33 0.00 -0.03 0.00 0.00 56.01 54.69 3ixj n LEU 104 Cb 0.21 -0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 3ixj n LEU 104 CO 0.27 0.47 -0.44 -0.55 -1.33 0.00 0.00 177.39 175.80 3ixj s SER 105 N -1.63 3.98 0.37 -1.43 0.15 -0.97 -4.32 113.70 109.85 3ixj s SER 105 Ca 0.34 -0.37 0.23 0.00 0.70 0.00 0.00 55.95 56.86 3ixj s SER 105 Cb 0.20 -1.62 0.36 0.00 -1.71 0.00 0.00 66.02 63.24 3ixj s SER 105 CO 0.29 0.12 1.55 0.77 1.20 0.00 0.00 173.24 177.17 3ixj h SER 106 N 7.06 0.00 -0.67 5.45 4.64 -1.31 -3.26 113.55 125.46 3ixj h SER 106 Ca -0.30 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3ixj h SER 106 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3ixj h SER 106 CO 0.57 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.88 3ixj n THR 107 N -2.90 0.91 -2.28 2.95 -2.24 -1.26 -4.97 114.28 104.49 3ixj n THR 107 Ca 0.04 -0.95 -0.41 0.00 -2.27 0.00 0.00 64.05 60.45 3ixj n THR 107 Cb 0.52 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.09 3.30 -0.10 4.78 5.04 -1.23 -4.51 117.35 123.54 3ixj s TYR 108 Ca 0.47 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.53 3ixj s TYR 108 Cb 0.25 -3.52 0.02 0.00 0.35 0.00 0.00 41.96 39.06 3ixj s TYR 108 CO 0.33 -1.45 -0.10 1.03 -1.34 0.00 0.00 175.55 174.03 3ixj s ARG 109 N -0.91 1.69 0.14 4.97 0.52 -0.09 -5.00 118.95 120.27 3ixj s ARG 109 Ca 0.51 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 3ixj s ARG 109 Cb -0.36 -1.62 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 3ixj s ARG 109 CO 0.43 -0.18 1.14 0.34 0.02 0.00 0.00 175.30 177.04 3ixj s ASP 110 N 1.38 7.19 0.00 0.23 -1.08 -1.26 -0.83 116.67 122.30 3ixj s ASP 110 Ca -0.01 2.08 0.23 0.00 -0.52 0.00 0.00 52.55 54.34 3ixj s ASP 110 Cb -0.14 -2.60 0.17 0.00 -1.46 0.00 0.00 42.92 38.90 3ixj s ASP 110 CO -0.05 -0.31 1.19 0.18 0.52 0.00 0.00 175.17 176.70 3ixj n LEU 111 N 2.83 1.56 -1.88 -1.34 4.77 -0.63 -4.91 117.00 117.39 3ixj n LEU 111 Ca 0.05 -0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 55.26 3ixj n LEU 111 Cb 0.46 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3ixj n LEU 111 CO 0.54 0.30 -0.22 0.54 -1.33 0.00 0.00 177.39 177.22 3ixj n ARG 112 N -0.47 -1.52 -4.99 3.23 5.12 -1.25 -4.99 116.66 111.80 3ixj n ARG 112 Ca 0.09 1.14 -0.28 0.00 -1.93 0.00 0.00 57.85 56.87 3ixj n ARG 112 Cb 0.41 -5.62 -0.16 0.00 -1.16 0.00 0.00 32.46 25.94 3ixj n ARG 112 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3ixj s LYS 113 N -4.25 1.92 0.65 5.56 1.02 -1.26 -5.05 119.74 118.33 3ixj s LYS 113 Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.16 3ixj s LYS 113 Cb 0.00 -1.71 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 3ixj s LYS 113 CO 0.00 0.34 1.05 0.20 -0.92 0.00 0.00 175.35 176.02 3ixj s GLY 114 N -0.17 1.64 -0.07 -3.33 0.00 -1.26 -0.88 107.32 103.25 3ixj s GLY 114 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 3ixj s GLY 114 CO 0.02 0.10 0.21 0.54 0.00 0.00 0.00 173.10 173.97 3ixj s VAL 115 N -3.25 0.01 -0.07 1.40 0.11 -0.15 -4.78 120.40 113.67 3ixj s VAL 115 Ca 0.56 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.59 3ixj s VAL 115 Cb -0.11 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 3ixj s VAL 115 CO 0.53 -0.03 -0.18 -0.47 -3.33 0.00 0.00 175.10 171.62 3ixj s TYR 116 N -0.03 1.90 -0.20 1.54 5.04 -1.26 -0.94 117.35 123.41 3ixj s TYR 116 Ca -0.01 -0.67 -0.01 0.00 -2.44 0.00 0.00 57.07 53.93 3ixj s TYR 116 Cb -0.02 -1.30 0.06 0.00 0.35 0.00 0.00 41.96 41.04 3ixj s TYR 116 CO 0.00 -0.28 -0.01 0.08 -1.34 0.00 0.00 175.55 174.01 3ixj s VAL 117 N 0.34 0.92 0.07 3.14 1.01 -0.23 -4.84 120.40 120.82 3ixj s VAL 117 Ca -0.12 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 3ixj s VAL 117 Cb -0.15 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 3ixj s VAL 117 CO 0.05 -0.09 0.51 -2.16 0.00 0.00 0.00 175.10 173.40 3ixj s PRO 118 N 1.68 4.04 0.46 2.72 0.04 -1.26 -1.94 135.00 140.75 3ixj s PRO 118 Ca -0.02 0.55 0.03 0.00 0.04 0.00 0.00 61.00 61.60 3ixj s PRO 118 Cb -0.17 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3ixj s PRO 118 CO -0.07 0.61 0.09 0.71 0.04 0.00 0.00 177.00 178.37 3ixj s TYR 119 N -1.21 1.78 0.16 0.56 2.02 0.23 -4.98 117.35 115.91 3ixj s TYR 119 Ca 0.30 -1.20 -0.14 0.00 -0.37 0.00 0.00 57.07 55.66 3ixj s TYR 119 Cb -0.17 -1.32 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3ixj s TYR 119 CO 0.17 -0.13 1.72 1.15 -1.57 0.00 0.00 175.55 176.89 3ixj h THR 120 N 1.56 1.21 -0.01 -0.71 2.02 -2.01 -3.28 112.91 111.69 3ixj h THR 120 Ca -0.38 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3ixj h THR 120 Cb 1.30 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3ixj h THR 120 CO 0.62 0.24 -0.41 0.00 0.37 0.00 0.00 175.52 176.34 3ixj n GLN 121 N -4.56 1.87 -3.81 6.66 10.64 -1.26 -5.06 117.38 121.85 3ixj n GLN 121 Ca 0.02 -0.58 -0.08 0.00 -1.83 0.00 0.00 57.00 54.53 3ixj n GLN 121 Cb 0.14 -1.23 0.02 0.00 -0.86 0.00 0.00 30.24 28.32 3ixj n GLN 121 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3ixj s GLY 122 N -1.96 0.34 -0.03 2.61 0.00 -1.24 -4.72 107.32 102.33 3ixj s GLY 122 Ca 0.11 -0.71 -0.26 0.00 0.00 0.00 0.00 44.72 43.86 3ixj s GLY 122 CO 0.44 -0.02 0.58 -1.59 0.00 0.00 0.00 173.10 172.50 3ixj s LYS 123 N -2.29 0.97 0.07 2.90 -2.85 -0.75 0.75 119.74 118.54 3ixj s LYS 123 Ca 0.16 0.09 -0.04 0.00 -1.00 0.00 0.00 55.97 55.18 3ixj s LYS 123 Cb -0.05 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 3ixj s LYS 123 CO 0.11 -0.31 0.06 1.67 0.10 0.00 0.00 175.35 176.98 3ixj s TRP 124 N -1.41 0.39 0.21 1.78 1.48 -0.82 -0.55 118.94 120.02 3ixj s TRP 124 Ca -0.11 -0.89 0.09 0.00 -1.06 0.00 0.00 56.10 54.13 3ixj s TRP 124 Cb -0.01 -0.26 -0.05 0.00 -1.16 0.00 0.00 33.47 31.99 3ixj s TRP 124 CO 0.07 -0.45 -0.16 -1.83 -4.06 0.00 0.00 176.95 170.52 3ixj s GLU 125 N -3.90 1.38 0.00 3.25 -1.05 -0.03 -1.07 118.70 117.28 3ixj s GLU 125 Ca 0.07 -1.59 0.00 0.00 -0.15 0.00 0.00 54.97 53.30 3ixj s GLU 125 Cb 0.07 -1.25 0.00 0.00 -0.44 0.00 0.00 34.13 32.51 3ixj s GLU 125 CO -0.10 0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.74 3ixj n GLY 126 N -0.32 1.50 3.33 -3.83 0.00 -0.11 -1.67 105.19 104.07 3ixj n GLY 126 Ca -0.08 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.54 3.29 0.39 1.61 2.02 -0.08 -0.98 118.70 124.41 3ixj s GLU 127 Ca 0.00 -0.74 -0.24 0.00 0.02 0.00 0.00 54.97 54.01 3ixj s GLU 127 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.59 3ixj s GLU 127 CO 0.00 0.20 0.98 -0.51 0.02 0.00 0.00 175.26 175.95 3ixj s LEU 128 N 0.37 4.13 0.00 1.80 1.43 -0.06 -0.12 118.68 126.23 3ixj s LEU 128 Ca -0.13 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 54.65 3ixj s LEU 128 Cb -0.16 -4.25 0.06 0.00 0.03 0.00 0.00 46.19 41.87 3ixj s LEU 128 CO 0.06 -0.32 0.85 0.61 0.23 0.00 0.00 176.35 177.78 3ixj n GLY 129 N 0.09 0.63 3.20 -3.19 0.00 -0.60 -1.61 105.19 103.71 3ixj n GLY 129 Ca 0.05 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 3ixj n GLY 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ixj s THR 130 N -2.14 1.28 0.26 2.61 -4.23 -0.01 -0.22 115.64 113.19 3ixj s THR 130 Ca 0.19 -1.35 -0.20 0.00 -1.18 0.00 0.00 61.69 59.15 3ixj s THR 130 Cb -0.02 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.64 3ixj s THR 130 CO 0.03 -0.16 0.66 -0.62 -0.54 0.00 0.00 174.62 173.99 3ixj s ASP 131 N -1.75 -0.26 0.08 3.99 -1.08 -0.90 -0.92 116.67 115.84 3ixj s ASP 131 Ca 0.01 -0.61 -0.30 0.00 -0.52 0.00 0.00 52.55 51.13 3ixj s ASP 131 Cb -0.10 0.69 -0.06 0.00 -1.46 0.00 0.00 42.92 41.99 3ixj s ASP 131 CO 0.03 -1.27 1.12 -0.76 0.52 0.00 0.00 175.17 174.81 3ixj s LEU 132 N -2.92 4.41 -0.02 -1.34 1.43 -1.26 -1.52 118.68 117.46 3ixj s LEU 132 Ca 0.12 1.96 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 3ixj s LEU 132 Cb -0.04 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3ixj s LEU 132 CO 0.05 -0.35 -0.13 -0.69 0.23 0.00 0.00 176.35 175.46 3ixj s VAL 133 N 0.66 1.07 0.07 -1.59 1.01 0.13 -0.72 120.40 121.03 3ixj s VAL 133 Ca 0.55 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3ixj s VAL 133 Cb -0.28 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3ixj s VAL 133 CO 0.31 0.31 -0.07 -0.44 0.00 0.00 0.00 175.10 175.20 3ixj s SER 134 N -0.17 1.01 -0.37 3.32 0.01 -0.57 -1.29 113.70 115.64 3ixj s SER 134 Ca 0.02 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 3ixj s SER 134 Cb -0.07 0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.32 3ixj s SER 134 CO 0.00 -0.31 0.13 -0.63 0.41 0.00 0.00 173.24 172.83 3ixj s ILE 135 N -2.36 2.95 0.28 1.44 1.01 -1.26 -0.74 121.20 122.52 3ixj s ILE 135 Ca -0.00 -2.02 0.01 0.00 0.00 0.00 0.00 60.65 58.64 3ixj s ILE 135 Cb -0.03 -3.00 0.29 0.00 0.01 0.00 0.00 42.46 39.72 3ixj s ILE 135 CO -0.02 -0.56 1.66 -0.65 0.00 0.00 0.00 174.94 175.37 3ixj h PRO 136 N 7.92 0.25 -1.07 2.79 0.11 -1.90 0.68 132.00 140.78 3ixj h PRO 136 Ca -0.12 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.33 3ixj h PRO 136 Cb 1.04 -0.06 -0.34 0.00 0.11 0.00 0.00 31.00 31.76 3ixj h PRO 136 CO 0.62 0.16 0.30 0.72 -0.21 0.00 0.00 178.00 179.59 3ixj n HIS 137 N -5.18 3.08 -2.10 0.65 8.25 -1.26 -4.93 115.22 113.72 3ixj n HIS 137 Ca 0.20 -2.72 0.00 0.00 -0.26 0.00 0.00 57.72 54.94 3ixj n HIS 137 Cb 0.63 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.73 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 -0.79 5.34 3.79 -1.41 0.00 0.23 -4.28 105.19 108.07 3ixj n GLY 138 Ca 0.55 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 1.90 3.21 -1.44 1.61 0.04 -1.26 -4.85 135.00 134.20 3ixj s PRO 139 Ca 0.00 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 3ixj s PRO 139 Cb 0.00 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.58 3ixj s PRO 139 CO 0.00 -0.91 2.36 -1.71 0.04 0.00 0.00 177.00 176.78 3ixj n ASN 140 N -2.01 5.95 -4.11 6.66 5.15 -1.26 -4.60 115.26 121.04 3ixj n ASN 140 Ca 0.09 -2.87 -0.08 0.00 -0.60 0.00 0.00 54.58 51.12 3ixj n ASN 140 Cb 0.52 -1.55 -0.10 0.00 -0.53 0.00 0.00 39.78 38.12 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 1.72 0.37 -0.05 3.44 -7.23 -1.26 -5.16 120.40 112.23 3ixj s VAL 141 Ca 0.52 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 3ixj s VAL 141 Cb 0.15 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.56 3ixj s VAL 141 CO -0.06 -0.94 -0.12 -0.89 -0.31 0.00 0.00 175.10 172.78 3ixj s THR 142 N -3.74 1.10 0.09 5.32 2.01 -1.26 -4.43 115.64 114.73 3ixj s THR 142 Ca 0.08 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 61.66 3ixj s THR 142 Cb 0.06 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 3ixj s THR 142 CO -0.08 0.34 -0.18 0.68 -0.69 0.00 0.00 174.62 174.69 3ixj s VAL 143 N 0.48 1.49 -0.31 3.82 -7.23 -0.41 -4.92 120.40 113.32 3ixj s VAL 143 Ca -0.11 -1.44 -0.25 0.00 -1.81 0.00 0.00 61.98 58.37 3ixj s VAL 143 Cb -0.14 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.44 3ixj s VAL 143 CO 0.03 -0.11 0.88 -0.60 -0.31 0.00 0.00 175.10 174.99 3ixj s ARG 144 N -1.82 4.00 0.19 4.82 3.52 -1.26 0.21 118.95 128.61 3ixj s ARG 144 Ca 0.03 0.76 0.07 0.00 -0.13 0.00 0.00 55.73 56.47 3ixj s ARG 144 Cb -0.10 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 3ixj s ARG 144 CO 0.03 -0.75 -0.14 0.00 -0.81 0.00 0.00 175.30 173.63 3ixj s ALA 145 N 3.18 1.93 0.14 6.12 0.00 -0.58 -4.94 121.76 127.61 3ixj s ALA 145 Ca 0.37 -1.60 -0.31 0.00 0.00 0.00 0.00 51.96 50.42 3ixj s ALA 145 Cb -0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.82 3ixj s ALA 145 CO 0.13 0.08 1.33 -0.80 0.00 0.00 0.00 175.76 176.49 3ixj s ASN 146 N -3.16 6.90 -0.06 0.00 0.01 -1.26 -2.13 114.94 115.24 3ixj s ASN 146 Ca 0.20 2.30 0.02 0.00 -0.71 0.00 0.00 52.86 54.67 3ixj s ASN 146 Cb -0.01 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3ixj s ASN 146 CO 0.06 -0.57 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.32 3ixj s ILE 147 N 0.74 1.14 -0.36 0.60 1.01 0.70 -4.58 121.20 120.45 3ixj s ILE 147 Ca 0.61 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.61 3ixj s ILE 147 Cb -0.35 -1.03 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 3ixj s ILE 147 CO 0.33 0.35 0.32 0.00 0.00 0.00 0.00 174.94 175.94 3ixj s ALA 148 N 0.56 3.49 -0.65 9.38 0.00 -0.53 -1.56 121.76 132.44 3ixj s ALA 148 Ca -0.13 -1.40 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 3ixj s ALA 148 Cb -0.15 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.19 3ixj s ALA 148 CO 0.03 -1.18 1.19 0.00 0.00 0.00 0.00 175.76 175.81 3ixj s ALA 149 N 1.87 2.91 -0.13 0.00 0.00 0.83 -1.66 121.76 125.58 3ixj s ALA 149 Ca 0.09 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 3ixj s ALA 149 Cb -0.17 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 3ixj s ALA 149 CO 0.11 -2.91 1.72 0.42 0.00 0.00 0.00 175.76 175.09 3ixj s ILE 150 N 5.15 3.53 -0.22 0.00 1.01 0.51 -0.90 121.20 130.28 3ixj s ILE 150 Ca 0.37 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.72 3ixj s ILE 150 Cb -0.09 -3.49 -0.19 0.00 0.01 0.00 0.00 42.46 38.71 3ixj s ILE 150 CO 0.20 -0.15 -0.11 0.35 0.00 0.00 0.00 174.94 175.22 3ixj n THR 151 N 6.10 1.36 -3.90 2.92 -2.24 -0.67 -1.33 114.28 116.51 3ixj n THR 151 Ca 0.19 -0.64 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3ixj n THR 151 Cb 0.44 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 3ixj n THR 151 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ixj s GLU 152 N -2.48 0.47 0.03 -0.78 2.02 -1.03 -4.83 118.70 112.10 3ixj s GLU 152 Ca -0.24 -0.51 -0.22 0.00 0.02 0.00 0.00 54.97 54.02 3ixj s GLU 152 Cb 0.07 0.19 0.05 0.00 0.10 0.00 0.00 34.13 34.54 3ixj s GLU 152 CO 0.65 -0.11 0.51 -1.54 0.02 0.00 0.00 175.26 174.79 3ixj s SER 153 N -1.53 -0.43 -0.15 -0.19 1.04 -1.26 -0.85 113.70 110.33 3ixj s SER 153 Ca -0.13 0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 3ixj s SER 153 Cb -0.07 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.57 3ixj s SER 153 CO 0.00 -0.67 0.05 -0.62 0.98 0.00 0.00 173.24 172.98 3ixj s ASP 154 N -1.80 2.30 -1.85 7.02 2.15 0.28 -4.84 116.67 119.93 3ixj s ASP 154 Ca -0.07 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.38 3ixj s ASP 154 Cb -0.01 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.22 3ixj s ASP 154 CO 0.01 -0.30 0.00 0.29 -0.17 0.00 0.00 175.17 175.00 3ixj n LYS 155 N 5.18 -1.56 -0.06 4.34 5.02 -1.26 -1.82 118.16 127.99 3ixj n LYS 155 Ca -0.07 1.05 -0.05 0.00 -2.02 0.00 0.00 58.31 57.22 3ixj n LYS 155 Cb 0.49 -5.60 -0.02 0.00 -0.02 0.00 0.00 35.03 29.88 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 -3.58 0.58 -2.24 2.13 7.35 -1.26 -4.09 117.46 116.35 3ixj n PHE 156 Ca -0.23 0.25 -0.40 0.00 -0.76 0.00 0.00 57.45 56.31 3ixj n PHE 156 Cb 0.68 -0.61 -0.03 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 -2.15 3.21 -0.13 -5.13 0.08 -1.26 -5.00 117.98 107.60 3ixj s PHE 157 Ca -0.15 1.52 -0.03 0.00 0.12 0.00 0.00 56.93 58.39 3ixj s PHE 157 Cb 0.02 -3.53 -0.03 0.00 -0.57 0.00 0.00 43.02 38.91 3ixj s PHE 157 CO 0.22 -1.40 -0.04 0.42 -0.10 0.00 0.00 175.22 174.33 3ixj s ILE 158 N -1.18 3.94 -0.01 0.64 1.01 -1.26 -5.04 121.20 119.30 3ixj s ILE 158 Ca 0.48 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 3ixj s ILE 158 Cb -0.36 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 3ixj s ILE 158 CO 0.48 0.53 1.36 0.21 0.00 0.00 0.00 174.94 177.52 3ixj s ASN 159 N -0.04 6.89 0.00 3.58 2.47 -1.26 -2.82 114.94 123.76 3ixj s ASN 159 Ca 0.01 2.05 0.00 0.00 0.42 0.00 0.00 52.86 55.35 3ixj s ASN 159 Cb -0.13 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3ixj s ASN 159 CO 0.03 -0.69 0.00 0.61 -3.72 0.00 0.00 177.10 173.32 3ixj n GLY 160 N 3.59 0.50 0.15 1.21 0.00 -1.26 -4.92 105.19 104.47 3ixj n GLY 160 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.61 4.64 -1.85 -3.47 113.55 114.48 3ixj h SER 161 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ixj h SER 161 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ixj h SER 161 CO 0.00 0.45 0.00 -3.20 -0.87 0.00 0.00 176.83 173.21 3ixj n ASN 162 N -3.27 -1.37 -4.68 4.97 5.15 -1.26 -4.44 115.26 110.35 3ixj n ASN 162 Ca 0.02 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.68 3ixj n ASN 162 Cb 0.68 -0.53 -0.08 0.00 -0.53 0.00 0.00 39.78 39.32 3ixj n ASN 162 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3ixj s TRP 163 N -2.92 3.02 0.00 1.20 1.48 -1.26 -4.60 118.94 115.86 3ixj s TRP 163 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 56.10 55.06 3ixj s TRP 163 Cb 0.00 -1.60 0.00 0.00 -1.16 0.00 0.00 33.47 30.71 3ixj s TRP 163 CO 0.00 0.47 0.49 0.39 -4.06 0.00 0.00 176.95 174.24 3ixj n GLU 164 N 0.95 -0.75 -2.81 3.25 4.71 0.33 -4.85 120.64 121.47 3ixj n GLU 164 Ca -0.12 -0.52 -0.06 0.00 -0.01 0.00 0.00 57.16 56.45 3ixj n GLU 164 Cb 0.52 -0.97 0.01 0.00 -1.01 0.00 0.00 31.44 30.00 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 -0.02 1.48 2.83 0.62 0.00 -1.11 -0.26 105.19 108.72 3ixj n GLY 165 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.46 -0.05 -0.43 -0.61 2.07 0.83 -0.63 121.20 119.92 3ixj s ILE 166 Ca 0.11 0.17 -0.08 0.00 -1.41 0.00 0.00 60.65 59.44 3ixj s ILE 166 Cb -0.03 -0.11 0.09 0.00 0.13 0.00 0.00 42.46 42.54 3ixj s ILE 166 CO 0.08 0.07 0.27 -0.22 -1.91 0.00 0.00 174.94 173.23 3ixj s LEU 167 N 0.90 5.27 -0.38 8.50 2.96 0.11 -1.79 118.68 134.26 3ixj s LEU 167 Ca -0.07 -1.65 -0.27 0.00 -0.22 0.00 0.00 54.13 51.92 3ixj s LEU 167 Cb -0.10 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3ixj s LEU 167 CO -0.03 -0.57 0.98 -0.83 -1.32 0.00 0.00 176.35 174.58 3ixj s GLY 168 N 2.22 1.53 0.00 7.98 0.00 -0.69 -0.91 107.32 117.44 3ixj s GLY 168 Ca 0.04 -0.39 0.22 0.00 0.00 0.00 0.00 44.72 44.58 3ixj s GLY 168 CO 0.01 2.11 1.18 1.04 0.00 0.00 0.00 173.10 177.44 3ixj n LEU 169 N 6.94 2.79 0.00 0.66 4.77 0.29 -4.24 117.00 128.20 3ixj n LEU 169 Ca 0.09 -1.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.05 3ixj n LEU 169 Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3ixj n LEU 169 CO 0.60 0.47 0.06 0.00 -1.33 0.00 0.00 177.39 177.20 3ixj n ALA 170 N 1.20 -0.09 -2.29 -1.18 0.00 0.64 -4.96 120.51 113.83 3ixj n ALA 170 Ca 0.13 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 3ixj n ALA 170 Cb 0.54 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.02 3.52 0.40 0.00 1.51 -0.88 -4.63 117.35 116.24 3ixj s TYR 171 Ca 0.05 0.85 0.18 0.00 -1.01 0.00 0.00 57.07 57.15 3ixj s TYR 171 Cb -0.00 -2.31 1.09 0.00 -0.11 0.00 0.00 41.96 40.64 3ixj s TYR 171 CO 0.04 -0.14 1.79 0.00 -1.11 0.00 0.00 175.55 176.13 3ixj h ALA 172 N 0.82 2.22 -1.15 3.71 0.00 -1.87 -2.62 119.26 120.38 3ixj h ALA 172 Ca -0.47 0.05 0.35 0.00 0.00 0.00 0.00 54.91 54.84 3ixj h ALA 172 Cb 1.20 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 3ixj h ALA 172 CO 0.63 -0.60 0.72 1.49 0.00 0.00 0.00 179.25 181.49 3ixj h GLU 173 N 0.40 0.24 -0.56 0.00 4.81 -1.86 0.20 114.58 117.81 3ixj h GLU 173 Ca 0.57 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 3ixj h GLU 173 Cb 1.42 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3ixj h GLU 173 CO -0.26 0.16 0.00 0.44 -0.73 0.00 0.00 179.01 178.61 3ixj n ILE 174 N -4.77 1.27 -2.29 2.32 -5.35 -0.98 -4.64 119.36 104.92 3ixj n ILE 174 Ca 0.32 -1.10 -0.40 0.00 -0.27 0.00 0.00 62.75 61.30 3ixj n ILE 174 Cb 1.14 0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.38 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 -1.30 3.45 -0.10 -1.28 0.00 0.69 -4.60 121.76 118.62 3ixj s ALA 175 Ca 0.41 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 53.39 3ixj s ALA 175 Cb 0.23 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3ixj s ALA 175 CO 0.24 -0.41 0.14 1.03 0.00 0.00 0.00 175.76 176.76 3ixj s ARG 176 N -1.61 3.42 0.21 0.00 1.81 -1.26 -2.72 118.95 118.80 3ixj s ARG 176 Ca 0.47 -0.17 0.02 0.00 -1.72 0.00 0.00 55.73 54.33 3ixj s ARG 176 Cb -0.36 -3.16 0.17 0.00 -0.45 0.00 0.00 34.95 31.16 3ixj s ARG 176 CO 0.47 0.76 1.51 -1.35 -0.68 0.00 0.00 175.30 176.01 3ixj h PRO 177 N 4.83 0.30 0.00 3.54 0.11 -1.91 -3.47 132.00 135.40 3ixj h PRO 177 Ca -0.54 -0.22 -0.17 0.00 0.11 0.00 0.00 66.00 65.18 3ixj h PRO 177 Cb 1.22 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3ixj h PRO 177 CO 0.59 0.85 -0.02 -0.40 -0.21 0.00 0.00 178.00 178.81 3ixj n ASP 178 N -3.85 -1.38 0.00 -2.05 5.68 -1.10 -5.05 116.55 108.79 3ixj n ASP 178 Ca -0.03 -2.52 0.11 0.00 -0.50 0.00 0.00 54.79 51.85 3ixj n ASP 178 Cb 0.65 2.46 0.64 0.00 -1.14 0.00 0.00 41.12 43.74 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 -1.62 0.00 0.16 -1.12 5.75 -1.25 -2.54 116.55 115.93 3ixj n ASP 179 Ca -0.02 -0.57 0.05 0.00 -0.01 0.00 0.00 54.79 54.24 3ixj n ASP 179 Cb 0.50 -0.06 0.09 0.00 -1.03 0.00 0.00 41.12 40.62 3ixj n ASP 179 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3ixj h SER 180 N 0.00 0.00 -1.53 -1.12 4.64 -1.91 -3.41 113.55 110.21 3ixj h SER 180 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3ixj h SER 180 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3ixj h SER 180 CO 0.00 0.38 1.13 -0.22 -0.87 0.00 0.00 176.83 177.24 3ixj s LEU 181 N -6.43 3.25 0.07 5.97 2.96 -1.05 -4.96 118.68 118.48 3ixj s LEU 181 Ca 0.04 -0.22 -0.32 0.00 -0.22 0.00 0.00 54.13 53.41 3ixj s LEU 181 Cb 0.07 -2.55 -0.11 0.00 0.50 0.00 0.00 46.19 44.10 3ixj s LEU 181 CO 0.72 -2.38 1.82 1.21 -1.32 0.00 0.00 176.35 176.40 3ixj n GLU 182 N 9.08 2.53 -1.22 1.98 2.13 -1.26 -4.88 120.64 128.99 3ixj n GLU 182 Ca 0.26 0.92 -0.32 0.00 0.66 0.00 0.00 57.16 58.68 3ixj n GLU 182 Cb 0.50 -2.79 0.10 0.00 0.27 0.00 0.00 31.44 29.52 3ixj n GLU 182 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3ixj s PRO 183 N 2.94 2.01 0.20 5.31 0.02 -1.26 -4.49 135.00 139.72 3ixj s PRO 183 Ca 0.85 1.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.14 3ixj s PRO 183 Cb -0.57 -1.85 0.24 0.00 0.02 0.00 0.00 34.50 32.34 3ixj s PRO 183 CO 0.42 -1.86 1.69 0.35 -0.33 0.00 0.00 177.00 177.26 3ixj h PHE 184 N -1.00 0.05 -0.12 6.54 3.57 -1.80 -2.16 116.94 122.03 3ixj h PHE 184 Ca -0.45 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 60.96 3ixj h PHE 184 Cb 1.25 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 3ixj h PHE 184 CO 0.54 -0.09 -0.49 0.35 -2.23 0.00 0.00 178.31 176.39 3ixj h PHE 185 N 0.17 0.37 -0.64 0.41 3.57 -1.93 0.02 116.94 118.91 3ixj h PHE 185 Ca 0.28 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3ixj h PHE 185 Cb 0.43 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3ixj h PHE 185 CO -0.29 0.74 0.25 -0.44 -2.23 0.00 0.00 178.31 176.33 3ixj h ASP 186 N 0.24 0.88 -0.51 0.41 5.19 -1.87 -1.43 116.42 119.34 3ixj h ASP 186 Ca 0.01 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 3ixj h ASP 186 Cb 0.95 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 3ixj h ASP 186 CO 0.08 0.82 0.28 0.28 -3.12 0.00 0.00 179.24 177.58 3ixj h SER 187 N 0.89 0.64 -0.07 6.45 0.02 -0.88 -1.83 113.55 118.78 3ixj h SER 187 Ca 0.21 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3ixj h SER 187 Cb 0.21 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3ixj h SER 187 CO -0.02 0.54 -0.08 0.25 -1.14 0.00 0.00 176.83 176.39 3ixj h LEU 188 N 0.68 -0.25 -0.74 5.07 5.85 -0.87 -1.05 115.31 123.99 3ixj h LEU 188 Ca 0.18 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3ixj h LEU 188 Cb 0.05 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3ixj h LEU 188 CO -0.03 -0.11 0.35 0.58 -0.34 0.00 0.00 178.44 178.89 3ixj h VAL 189 N -0.11 1.24 -0.38 1.05 2.07 -1.26 -1.99 116.25 116.87 3ixj h VAL 189 Ca 0.06 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 3ixj h VAL 189 Cb 0.19 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3ixj h VAL 189 CO -0.13 0.29 -0.27 0.11 0.02 0.00 0.00 177.57 177.59 3ixj h LYS 190 N 1.05 0.80 0.00 1.57 1.57 -1.13 -3.30 116.57 117.12 3ixj h LYS 190 Ca 0.25 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3ixj h LYS 190 Cb 0.13 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3ixj h LYS 190 CO -0.03 0.97 -1.15 1.04 -0.57 0.00 0.00 179.45 179.71 3ixj n GLN 191 N -4.09 0.59 -3.81 3.15 6.02 -0.42 -4.97 117.38 113.85 3ixj n GLN 191 Ca -0.00 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.85 3ixj n GLN 191 Cb 0.46 -1.76 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 3ixj n GLN 191 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3ixj n THR 192 N -2.55 0.00 -0.77 5.09 -2.24 -0.75 -5.05 114.28 108.00 3ixj n THR 192 Ca -0.00 -1.72 0.08 0.00 -2.27 0.00 0.00 64.05 60.13 3ixj n THR 192 Cb 0.54 0.52 0.36 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.75 1.63 -1.94 4.78 8.25 -1.26 -4.76 115.22 121.16 3ixj n HIS 193 Ca -0.08 -0.69 -0.42 0.00 -0.26 0.00 0.00 57.72 56.27 3ixj n HIS 193 Cb 0.45 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 3ixj n HIS 193 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ixj s VAL 194 N -2.33 3.24 0.72 1.59 1.01 -1.26 -4.99 120.40 118.38 3ixj s VAL 194 Ca 0.50 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 3ixj s VAL 194 Cb 0.36 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3ixj s VAL 194 CO 0.19 -0.02 1.25 -2.65 0.00 0.00 0.00 175.10 173.87 3ixj n PRO 195 N 6.23 0.71 -1.62 2.72 -0.02 -1.26 -4.64 135.00 137.13 3ixj n PRO 195 Ca 0.16 0.31 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 3ixj n PRO 195 Cb 0.41 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 -2.47 7.18 -3.51 2.55 5.15 -1.26 -4.28 115.26 118.62 3ixj n ASN 196 Ca 0.15 -2.78 -0.17 0.00 -0.60 0.00 0.00 54.58 51.18 3ixj n ASN 196 Cb 0.49 -1.54 -0.05 0.00 -0.53 0.00 0.00 39.78 38.14 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 0.22 -0.61 0.05 1.20 2.34 -1.26 -1.07 118.68 119.54 3ixj s LEU 197 Ca 0.59 0.59 -0.00 0.00 0.06 0.00 0.00 54.13 55.36 3ixj s LEU 197 Cb 0.16 2.52 -0.04 0.00 -0.56 0.00 0.00 46.19 48.28 3ixj s LEU 197 CO -0.07 -0.67 -0.03 0.72 -1.06 0.00 0.00 176.35 175.24 3ixj s PHE 198 N -1.62 0.50 0.05 3.48 -0.71 -1.06 -0.82 117.98 117.81 3ixj s PHE 198 Ca -0.09 -0.92 0.06 0.00 -1.04 0.00 0.00 56.93 54.94 3ixj s PHE 198 Cb -0.00 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.43 3ixj s PHE 198 CO 0.06 -0.31 -0.16 -1.54 -1.34 0.00 0.00 175.22 171.93 3ixj s SER 199 N -2.57 1.91 -0.09 1.98 1.04 -0.21 -0.54 113.70 115.22 3ixj s SER 199 Ca 0.02 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.95 3ixj s SER 199 Cb 0.03 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3ixj s SER 199 CO -0.07 0.04 -0.18 -0.76 0.98 0.00 0.00 173.24 173.25 3ixj s LEU 200 N -1.35 1.86 -0.26 2.42 1.43 0.64 -1.18 118.68 122.24 3ixj s LEU 200 Ca 0.02 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3ixj s LEU 200 Cb -0.09 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 45.04 3ixj s LEU 200 CO 0.02 0.08 -0.08 -1.58 0.23 0.00 0.00 176.35 175.02 3ixj s GLN 201 N 0.62 2.39 -0.30 1.70 0.74 -0.02 -1.01 119.66 123.77 3ixj s GLN 201 Ca -0.14 -1.26 -0.11 0.00 0.05 0.00 0.00 55.36 53.90 3ixj s GLN 201 Cb -0.16 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 3ixj s GLN 201 CO 0.04 -0.55 0.17 -0.51 -0.55 0.00 0.00 175.29 173.90 3ixj s LEU 202 N 1.17 4.07 -0.33 3.68 1.43 -1.26 -0.71 118.68 126.74 3ixj s LEU 202 Ca -0.06 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3ixj s LEU 202 Cb -0.19 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 3ixj s LEU 202 CO -0.04 -0.13 0.21 0.00 0.23 0.00 0.00 176.35 176.61 3ixj n GLY 204 N 5.06 -1.18 0.00 0.00 0.00 -1.26 -3.12 105.19 104.68 3ixj n GLY 204 Ca -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3ixj n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixj n ALA 205 N -3.00 0.00 0.00 4.61 0.00 -1.26 -4.78 120.51 116.08 3ixj n ALA 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ixj n ALA 205 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ixj n ALA 205 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ixj n SER 217 N -1.77 0.00 -4.79 0.00 2.88 -1.26 -4.87 113.62 103.81 3ixj n SER 217 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 3ixj n SER 217 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 3ixj n SER 217 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3ixj s VAL 218 N 0.00 1.97 0.00 2.46 -7.23 -0.43 -4.84 120.40 112.33 3ixj s VAL 218 Ca 0.00 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3ixj s VAL 218 Cb 0.00 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.30 3ixj s VAL 218 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3ixj n GLY 219 N -1.40 2.56 0.00 2.32 0.00 -1.18 -2.87 105.19 104.61 3ixj n GLY 219 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.48 2.87 -0.02 0.00 -1.07 -0.86 105.19 105.62 3ixj n GLY 220 Ca 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.00 0.48 -0.39 1.61 0.01 0.12 -1.57 113.70 109.95 3ixj s SER 221 Ca 0.00 -0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 3ixj s SER 221 Cb 0.00 -0.19 0.10 0.00 0.21 0.00 0.00 66.02 66.14 3ixj s SER 221 CO 0.00 -0.04 0.17 -0.32 0.41 0.00 0.00 173.24 173.46 3ixj s MET 222 N 0.61 2.01 -0.42 12.44 1.75 -1.26 -0.84 119.30 133.60 3ixj s MET 222 Ca -0.06 -1.76 -0.24 0.00 -1.25 0.00 0.00 55.69 52.38 3ixj s MET 222 Cb -0.10 -3.51 0.02 0.00 2.84 0.00 0.00 34.83 34.08 3ixj s MET 222 CO -0.01 -1.01 0.84 0.42 -0.65 0.00 0.00 175.02 174.61 3ixj s ILE 223 N 1.14 4.62 -0.35 10.11 -1.09 -0.32 -4.84 121.20 130.46 3ixj s ILE 223 Ca 0.07 0.75 -0.17 0.00 -2.23 0.00 0.00 60.65 59.07 3ixj s ILE 223 Cb -0.22 -4.32 -0.00 0.00 -1.58 0.00 0.00 42.46 36.33 3ixj s ILE 223 CO -0.04 -0.64 0.43 -0.63 -1.23 0.00 0.00 174.94 172.83 3ixj s ILE 224 N 3.39 5.10 0.00 2.92 1.01 -1.26 -1.04 121.20 131.31 3ixj s ILE 224 Ca 0.33 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3ixj s ILE 224 Cb -0.12 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3ixj s ILE 224 CO 0.21 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3ixj n GLY 225 N 4.91 0.81 0.00 6.18 0.00 0.00 -4.77 105.19 112.32 3ixj n GLY 225 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.08 0.67 3.14 -0.02 0.00 -1.23 -4.36 105.19 101.31 3ixj n GLY 226 Ca 0.00 -0.75 -0.31 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 -2.10 1.83 -0.32 -0.61 1.01 -1.26 -3.87 121.20 115.89 3ixj s ILE 227 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 3ixj s ILE 227 Cb 0.00 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3ixj s ILE 227 CO 0.00 0.51 0.21 -0.62 0.00 0.00 0.00 174.94 175.04 3ixj s ASP 228 N 0.76 5.98 0.53 3.58 -1.08 -1.26 -4.97 116.67 120.21 3ixj s ASP 228 Ca -0.10 -0.30 0.32 0.00 -0.52 0.00 0.00 52.55 51.95 3ixj s ASP 228 Cb -0.16 -2.12 1.23 0.00 -1.46 0.00 0.00 42.92 40.42 3ixj s ASP 228 CO 0.01 -0.17 1.94 0.45 0.52 0.00 0.00 175.17 177.91 3ixj h HIS 229 N 8.43 0.00 0.00 -5.34 3.86 -2.00 -2.41 115.15 117.70 3ixj h HIS 229 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3ixj h HIS 229 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3ixj h HIS 229 CO 0.69 0.03 0.00 -1.13 0.86 0.00 0.00 177.93 178.38 3ixj n SER 230 N -3.13 0.00 -0.16 2.45 3.41 -1.26 -3.45 113.62 111.49 3ixj n SER 230 Ca 0.01 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3ixj n SER 230 Cb 0.34 -0.36 0.15 0.00 -0.26 0.00 0.00 64.21 64.08 3ixj n SER 230 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ixj n LEU 231 N -1.36 1.04 -3.95 1.04 4.77 -0.91 -4.87 117.00 112.76 3ixj n LEU 231 Ca 0.09 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.66 3ixj n LEU 231 Cb 0.20 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3ixj n LEU 231 CO 0.18 0.22 -0.15 -0.72 -1.33 0.00 0.00 177.39 175.59 3ixj s TYR 232 N -2.77 0.35 0.24 -1.77 1.13 -1.22 -1.56 117.35 111.75 3ixj s TYR 232 Ca 0.15 -0.78 0.11 0.00 -1.41 0.00 0.00 57.07 55.14 3ixj s TYR 232 Cb 0.18 -0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 3ixj s TYR 232 CO 0.67 -0.55 -0.17 0.95 -2.51 0.00 0.00 175.55 173.95 3ixj s THR 233 N -3.91 2.68 0.00 -3.49 -4.23 -0.78 -4.83 115.64 101.09 3ixj s THR 233 Ca 0.10 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 3ixj s THR 233 Cb 0.05 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3ixj s THR 233 CO -0.07 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 3ixj n GLY 234 N -0.36 -0.04 3.80 3.99 0.00 -1.26 -3.71 105.19 107.60 3ixj n GLY 234 Ca -0.08 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 5.68 0.11 1.61 0.01 -1.26 -4.99 113.70 110.85 3ixj s SER 235 Ca 0.00 0.06 -0.28 0.00 1.31 0.00 0.00 55.95 57.03 3ixj s SER 235 Cb 0.00 -1.58 -0.06 0.00 0.21 0.00 0.00 66.02 64.59 3ixj s SER 235 CO 0.00 0.19 0.90 -0.76 0.41 0.00 0.00 173.24 173.98 3ixj s LEU 236 N -2.31 4.50 -0.10 2.44 1.43 -1.26 -4.47 118.68 118.90 3ixj s LEU 236 Ca 0.29 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 3ixj s LEU 236 Cb -0.12 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.62 3ixj s LEU 236 CO 0.22 -0.01 -0.20 0.26 0.23 0.00 0.00 176.35 176.84 3ixj s TRP 237 N -0.16 2.30 -0.10 0.29 0.52 0.11 -4.90 118.94 116.99 3ixj s TRP 237 Ca 0.44 -1.00 -0.01 0.00 0.02 0.00 0.00 56.10 55.54 3ixj s TRP 237 Cb -0.23 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 3ixj s TRP 237 CO 0.28 -0.44 -0.04 0.71 0.02 0.00 0.00 176.95 177.47 3ixj s TYR 238 N 0.60 3.02 -0.06 -1.98 2.02 -1.26 -0.34 117.35 119.35 3ixj s TYR 238 Ca -0.14 -0.05 0.04 0.00 -0.37 0.00 0.00 57.07 56.56 3ixj s TYR 238 Cb -0.17 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3ixj s TYR 238 CO 0.04 0.24 -0.18 -0.08 -1.57 0.00 0.00 175.55 174.00 3ixj s THR 239 N -0.43 2.73 0.38 -0.71 -1.32 -0.24 -3.87 115.64 112.18 3ixj s THR 239 Ca 0.07 -0.83 -0.27 0.00 -1.21 0.00 0.00 61.69 59.45 3ixj s THR 239 Cb -0.12 -2.06 -0.09 0.00 -1.51 0.00 0.00 72.50 68.72 3ixj s THR 239 CO 0.02 0.57 1.33 -2.84 -2.21 0.00 0.00 174.62 171.50 3ixj s PRO 240 N -0.40 4.09 -0.38 7.08 0.02 -1.26 -0.48 135.00 143.67 3ixj s PRO 240 Ca 0.04 2.23 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 3ixj s PRO 240 Cb -0.12 -2.87 0.01 0.00 0.02 0.00 0.00 34.50 31.53 3ixj s PRO 240 CO 0.02 -0.42 1.42 0.42 -0.33 0.00 0.00 177.00 178.11 3ixj s ILE 241 N -1.21 3.92 0.20 2.83 1.01 -0.04 -4.62 121.20 123.30 3ixj s ILE 241 Ca 0.54 0.97 -0.11 0.00 0.00 0.00 0.00 60.65 62.05 3ixj s ILE 241 Cb -0.40 -4.15 0.11 0.00 0.01 0.00 0.00 42.46 38.04 3ixj s ILE 241 CO 0.52 -0.66 1.82 -0.09 0.00 0.00 0.00 174.94 176.53 3ixj h ARG 242 N 10.51 0.69 -2.81 2.79 2.43 -1.07 -3.44 114.38 123.49 3ixj h ARG 242 Ca -0.28 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.72 3ixj h ARG 242 Cb 1.11 -0.16 -0.24 0.00 -0.42 0.00 0.00 29.97 30.26 3ixj h ARG 242 CO 1.07 0.46 -0.27 0.50 -1.51 0.00 0.00 179.97 180.22 3ixj s ARG 243 N -6.12 0.45 -1.28 0.20 3.52 -1.26 -5.08 118.95 109.38 3ixj s ARG 243 Ca -0.13 0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 55.85 3ixj s ARG 243 Cb 0.15 0.22 0.12 0.00 -1.56 0.00 0.00 34.95 33.87 3ixj s ARG 243 CO 0.75 -0.05 1.67 0.39 -0.81 0.00 0.00 175.30 177.25 3ixj n GLU 244 N 2.88 3.27 0.00 5.12 1.02 -1.26 -4.06 120.64 127.61 3ixj n GLU 244 Ca -0.13 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.53 3ixj n GLU 244 Cb 0.57 -3.26 0.00 0.00 -0.02 0.00 0.00 31.44 28.74 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 6.78 0.00 -1.90 -0.32 4.27 -1.26 -4.61 117.44 120.40 3ixj n TRP 245 Ca 0.44 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.75 3ixj n TRP 245 Cb 0.43 0.00 0.07 0.00 -1.36 0.00 0.00 31.31 30.46 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 3.09 -1.26 -2.67 2.02 -1.26 -2.08 117.35 115.18 3ixj s TYR 246 Ca 0.00 0.85 -0.19 0.00 -0.37 0.00 0.00 57.07 57.36 3ixj s TYR 246 Cb 0.00 -3.34 0.01 0.00 -0.40 0.00 0.00 41.96 38.23 3ixj s TYR 246 CO 0.00 -1.56 1.87 0.66 -1.57 0.00 0.00 175.55 174.96 3ixj n TYR 247 N -3.20 3.85 -2.98 2.71 4.01 -1.26 -4.78 117.16 115.51 3ixj n TYR 247 Ca 0.08 -2.47 -0.40 0.00 -0.16 0.00 0.00 57.90 54.95 3ixj n TYR 247 Cb 0.60 -2.56 -0.05 0.00 -0.31 0.00 0.00 39.34 37.02 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 4.64 4.49 0.34 -0.72 2.12 -1.26 -1.83 118.70 126.50 3ixj s GLU 248 Ca 0.56 1.06 0.03 0.00 0.36 0.00 0.00 54.97 56.99 3ixj s GLU 248 Cb 0.05 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 3ixj s GLU 248 CO 0.07 0.23 0.09 0.14 -0.54 0.00 0.00 175.26 175.26 3ixj s VAL 249 N 0.13 0.83 -0.17 3.70 -7.23 0.22 -0.44 120.40 117.44 3ixj s VAL 249 Ca 0.39 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3ixj s VAL 249 Cb -0.20 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.16 3ixj s VAL 249 CO 0.23 0.00 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.19 3ixj s ILE 250 N -3.35 2.17 -0.20 -0.62 1.01 -1.26 -3.99 121.20 114.96 3ixj s ILE 250 Ca 0.32 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 3ixj s ILE 250 Cb 0.06 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3ixj s ILE 250 CO 0.15 0.53 0.58 -0.63 0.00 0.00 0.00 174.94 175.57 3ixj s ILE 251 N 1.20 5.06 -0.20 2.92 1.01 -1.26 -2.37 121.20 127.57 3ixj s ILE 251 Ca 0.03 1.07 0.17 0.00 0.00 0.00 0.00 60.65 61.91 3ixj s ILE 251 Cb -0.14 -3.89 -0.24 0.00 0.01 0.00 0.00 42.46 38.20 3ixj s ILE 251 CO -0.10 0.14 0.07 1.33 0.00 0.00 0.00 174.94 176.38 3ixj n VAL 252 N 4.64 1.41 -3.81 2.92 0.24 0.75 -4.73 118.33 119.76 3ixj n VAL 252 Ca -0.03 -0.84 -0.11 0.00 -2.04 0.00 0.00 64.34 61.32 3ixj n VAL 252 Cb 0.50 -0.55 -0.08 0.00 -1.47 0.00 0.00 33.84 32.23 3ixj n VAL 252 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3ixj s ARG 253 N -2.50 0.70 -0.06 7.34 1.81 -1.21 -4.75 118.95 120.29 3ixj s ARG 253 Ca -0.12 -0.49 0.01 0.00 -1.72 0.00 0.00 55.73 53.41 3ixj s ARG 253 Cb 0.06 0.30 0.02 0.00 -0.45 0.00 0.00 34.95 34.88 3ixj s ARG 253 CO 0.81 -0.21 -0.08 0.08 -0.68 0.00 0.00 175.30 175.23 3ixj s VAL 254 N -2.23 0.79 -0.05 3.52 1.01 -1.26 -0.70 120.40 121.49 3ixj s VAL 254 Ca -0.08 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3ixj s VAL 254 Cb -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3ixj s VAL 254 CO -0.02 0.28 -0.22 -1.61 0.00 0.00 0.00 175.10 173.54 3ixj s GLU 255 N 0.89 2.42 -0.11 2.72 2.02 -0.60 -0.98 118.70 125.05 3ixj s GLU 255 Ca -0.11 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.04 3ixj s GLU 255 Cb -0.15 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 31.90 3ixj s GLU 255 CO 0.01 0.50 -0.12 0.42 0.02 0.00 0.00 175.26 176.09 3ixj s ILE 256 N -0.45 1.29 -1.41 -1.63 1.01 -0.50 -0.84 121.20 118.67 3ixj s ILE 256 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3ixj s ILE 256 Cb -0.12 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.13 3ixj s ILE 256 CO 0.01 0.40 0.00 -3.20 0.00 0.00 0.00 174.94 172.16 3ixj n ASN 257 N 4.47 -4.73 0.00 3.58 5.15 -0.66 -1.85 115.26 121.23 3ixj n ASN 257 Ca -0.17 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 3ixj n ASN 257 Cb 0.51 -3.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.96 3ixj n ASN 257 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ixj n GLY 258 N -1.03 0.47 3.38 8.20 0.00 -1.26 -5.02 105.19 109.93 3ixj n GLY 258 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.20 3.49 0.23 1.61 -1.52 -0.77 -5.06 119.66 117.44 3ixj s GLN 259 Ca 0.00 -0.58 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 3ixj s GLN 259 Cb 0.00 -3.01 -0.10 0.00 -0.22 0.00 0.00 33.01 29.68 3ixj s GLN 259 CO 0.00 -0.07 1.43 0.34 -0.25 0.00 0.00 175.29 176.75 3ixj s ASP 260 N 1.17 6.68 0.38 5.90 -1.08 -1.26 -1.41 116.67 127.04 3ixj s ASP 260 Ca 0.02 2.62 0.28 0.00 -0.52 0.00 0.00 52.55 54.95 3ixj s ASP 260 Cb -0.14 -2.62 1.22 0.00 -1.46 0.00 0.00 42.92 39.92 3ixj s ASP 260 CO -0.00 -0.69 1.83 -0.07 0.52 0.00 0.00 175.17 176.75 3ixj h LEU 261 N 5.28 0.00 1.05 -1.34 4.07 -1.44 -3.47 115.31 119.46 3ixj h LEU 261 Ca -0.45 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.11 3ixj h LEU 261 Cb 1.22 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.81 3ixj h LEU 261 CO 0.79 0.00 -0.37 0.29 -1.08 0.00 0.00 178.44 178.07 3ixj n LYS 262 N -2.53 -1.35 -2.58 1.13 5.02 -1.26 -4.98 118.16 111.62 3ixj n LYS 262 Ca 0.01 1.16 -0.28 0.00 -2.02 0.00 0.00 58.31 57.17 3ixj n LYS 262 Cb 0.21 -5.49 -0.00 0.00 -0.02 0.00 0.00 35.03 29.73 3ixj n LYS 262 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3ixj s MET 263 N -3.72 3.59 0.19 1.97 -1.94 -1.26 -5.03 119.30 113.10 3ixj s MET 263 Ca 0.00 0.31 -0.32 0.00 -1.71 0.00 0.00 55.69 53.97 3ixj s MET 263 Cb 0.00 -2.34 -0.12 0.00 2.01 0.00 0.00 34.83 34.38 3ixj s MET 263 CO 0.00 -0.22 1.75 0.34 -0.01 0.00 0.00 175.02 176.88 3ixj s ASP 264 N -3.96 6.39 0.22 3.03 2.15 -1.26 -4.89 116.67 118.35 3ixj s ASP 264 Ca 0.49 2.85 0.22 0.00 0.43 0.00 0.00 52.55 56.53 3ixj s ASP 264 Cb -0.10 -2.59 0.92 0.00 -0.30 0.00 0.00 42.92 40.84 3ixj s ASP 264 CO 0.44 -0.98 1.66 0.00 -0.17 0.00 0.00 175.17 176.11 3ixj h LYS 266 N 0.00 0.05 -0.22 0.00 1.57 -1.78 -3.06 116.57 113.13 3ixj h LYS 266 Ca 0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3ixj h LYS 266 Cb 0.32 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3ixj h LYS 266 CO 0.00 0.26 -0.11 0.93 -0.57 0.00 0.00 179.45 179.96 3ixj h GLU 267 N 0.05 0.35 0.00 3.15 4.39 -1.43 -2.45 114.58 118.64 3ixj h GLU 267 Ca 0.01 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3ixj h GLU 267 Cb 0.40 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ixj h GLU 267 CO 0.03 0.47 -0.10 1.88 -1.16 0.00 0.00 179.01 180.13 3ixj h TYR 268 N 0.33 0.00 -0.09 4.33 0.05 -1.67 -3.21 116.97 116.72 3ixj h TYR 268 Ca 0.07 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 3ixj h TYR 268 Cb 0.40 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.04 3ixj h TYR 268 CO 0.01 0.10 -0.61 0.09 -1.05 0.00 0.00 178.16 176.70 3ixj n ASN 269 N -3.31 1.98 -4.42 3.88 3.02 -0.95 -4.43 115.26 111.03 3ixj n ASN 269 Ca -0.00 -3.64 -0.40 0.00 -0.03 0.00 0.00 54.58 50.51 3ixj n ASN 269 Cb 0.31 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 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 -2.92 3.21 -2.67 3.10 5.04 -1.04 -1.69 117.35 120.39 3ixj s TYR 270 Ca 0.39 -0.70 0.24 0.00 -2.44 0.00 0.00 57.07 54.56 3ixj s TYR 270 Cb 0.38 -2.41 0.50 0.00 0.35 0.00 0.00 41.96 40.77 3ixj s TYR 270 CO -0.07 -0.53 1.43 -0.40 -1.34 0.00 0.00 175.55 174.64 3ixj n ASP 271 N 5.01 2.64 -3.45 4.32 5.75 -1.26 -3.58 116.55 125.98 3ixj n ASP 271 Ca -0.13 -1.86 -0.11 0.00 -0.01 0.00 0.00 54.79 52.68 3ixj n ASP 271 Cb 0.48 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 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 -1.84 1.12 -0.12 0.11 -2.85 -0.68 -4.68 119.74 110.80 3ixj s LYS 272 Ca 0.33 -0.38 0.02 0.00 -1.00 0.00 0.00 55.97 54.95 3ixj s LYS 272 Cb 0.21 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.51 3ixj s LYS 272 CO 0.31 -0.48 -0.17 -1.12 0.10 0.00 0.00 175.35 173.98 3ixj s SER 273 N -2.57 2.62 0.14 0.03 0.01 -1.26 -0.32 113.70 112.35 3ixj s SER 273 Ca 0.02 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.86 3ixj s SER 273 Cb -0.01 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 3ixj s SER 273 CO -0.11 0.03 -0.13 0.27 0.41 0.00 0.00 173.24 173.72 3ixj s ILE 274 N 0.93 1.34 -0.29 1.44 -4.36 -0.48 -0.61 121.20 119.17 3ixj s ILE 274 Ca -0.07 -1.84 -0.11 0.00 -0.26 0.00 0.00 60.65 58.37 3ixj s ILE 274 Cb -0.15 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 3ixj s ILE 274 CO -0.01 -0.50 0.20 -0.69 0.24 0.00 0.00 174.94 174.17 3ixj s VAL 275 N -2.47 5.26 -0.18 8.37 1.01 -0.76 0.07 120.40 131.70 3ixj s VAL 275 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3ixj s VAL 275 Cb -0.03 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.85 3ixj s VAL 275 CO 0.03 0.18 0.05 -0.62 0.00 0.00 0.00 175.10 174.75 3ixj s ASP 276 N 1.74 2.59 0.33 3.32 2.15 -0.39 -4.45 116.67 121.96 3ixj s ASP 276 Ca 0.07 -0.68 0.26 0.00 0.43 0.00 0.00 52.55 52.62 3ixj s ASP 276 Cb -0.16 -0.45 0.76 0.00 -0.30 0.00 0.00 42.92 42.76 3ixj s ASP 276 CO 0.11 -0.31 1.74 0.77 -0.17 0.00 0.00 175.17 177.30 3ixj h SER 277 N 8.31 0.00 0.72 -0.34 4.64 -1.83 -3.18 113.55 121.87 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 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3ixj h SER 277 CO 0.31 0.00 -0.21 0.61 -0.87 0.00 0.00 176.83 176.68 3ixj n GLY 278 N 0.90 -1.33 3.76 -0.77 0.00 -1.24 -4.69 105.19 101.81 3ixj n GLY 278 Ca 0.04 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.93 4.99 -0.02 2.61 2.01 -1.20 -5.03 115.64 116.08 3ixj s THR 279 Ca 0.15 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.94 3ixj s THR 279 Cb 0.19 -3.18 -0.20 0.00 0.01 0.00 0.00 72.50 69.32 3ixj s THR 279 CO 0.59 0.57 1.15 0.74 -0.69 0.00 0.00 174.62 176.98 3ixj h THR 280 N 4.25 1.46 -2.97 -0.82 2.02 -1.88 -0.41 112.91 114.57 3ixj h THR 280 Ca -0.49 -1.66 -0.47 0.00 0.77 0.00 0.00 66.41 64.55 3ixj h THR 280 Cb 1.20 2.42 0.02 0.00 -1.74 0.00 0.00 68.15 70.06 3ixj h THR 280 CO 0.60 0.46 -0.08 0.20 0.37 0.00 0.00 175.52 177.08 3ixj s ASN 281 N -6.20 6.07 -0.49 4.18 -0.87 -1.26 -2.16 114.94 114.21 3ixj s ASN 281 Ca -0.15 0.49 -0.28 0.00 -1.57 0.00 0.00 52.86 51.35 3ixj s ASN 281 Cb 0.02 -1.86 0.03 0.00 -0.02 0.00 0.00 41.25 39.42 3ixj s ASN 281 CO 0.74 -0.55 1.10 -0.22 -2.57 0.00 0.00 177.10 175.60 3ixj s LEU 282 N -4.53 3.70 -0.15 0.60 2.96 -0.81 -2.60 118.68 117.85 3ixj s LEU 282 Ca 0.45 0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.65 3ixj s LEU 282 Cb -0.10 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3ixj s LEU 282 CO 0.39 -1.24 0.08 -0.13 -1.32 0.00 0.00 176.35 174.13 3ixj s ARG 283 N 4.36 3.63 0.06 1.98 0.52 -0.59 -1.31 118.95 127.60 3ixj s ARG 283 Ca 0.45 -0.28 0.07 0.00 -0.52 0.00 0.00 55.73 55.45 3ixj s ARG 283 Cb -0.08 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 3ixj s ARG 283 CO 0.30 0.51 -0.19 -0.51 0.02 0.00 0.00 175.30 175.43 3ixj s LEU 284 N -0.30 2.20 0.51 2.53 1.43 0.04 -1.38 118.68 123.71 3ixj s LEU 284 Ca 0.09 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 3ixj s LEU 284 Cb -0.12 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.16 3ixj s LEU 284 CO 0.01 0.11 1.12 -2.65 0.23 0.00 0.00 176.35 175.17 3ixj n PRO 285 N 1.66 1.38 -0.33 1.29 -0.02 -1.26 -0.50 135.00 137.23 3ixj n PRO 285 Ca -0.18 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 3ixj n PRO 285 Cb 0.54 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.49 -0.21 0.02 -0.52 4.81 -1.04 -0.38 118.16 120.34 3ixj n LYS 286 Ca 0.10 1.33 -0.03 0.00 -0.87 0.00 0.00 58.31 58.84 3ixj n LYS 286 Cb 0.43 -1.97 0.21 0.00 0.02 0.00 0.00 35.03 33.71 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 0.47 -0.15 1.64 3.64 -1.92 -2.86 116.57 117.39 3ixj h LYS 287 Ca 0.29 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 3ixj h LYS 287 Cb 0.51 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ixj h LYS 287 CO -0.86 0.69 -0.50 0.28 -2.27 0.00 0.00 179.45 176.79 3ixj h VAL 288 N 0.41 1.34 -0.52 2.00 2.07 -1.03 -2.93 116.25 117.60 3ixj h VAL 288 Ca 0.06 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.85 3ixj h VAL 288 Cb 0.67 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 3ixj h VAL 288 CO 0.05 0.54 0.29 0.15 0.02 0.00 0.00 177.57 178.62 3ixj h PHE 289 N 0.27 0.53 -0.36 1.57 3.57 -0.90 0.10 116.94 121.73 3ixj h PHE 289 Ca -0.02 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 3ixj h PHE 289 Cb 1.13 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3ixj h PHE 289 CO 0.10 0.28 -0.27 0.93 -2.23 0.00 0.00 178.31 177.12 3ixj h GLU 290 N 0.56 0.82 -0.56 1.11 5.08 -1.57 0.17 114.58 120.19 3ixj h GLU 290 Ca 0.22 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3ixj h GLU 290 Cb 0.08 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3ixj h GLU 290 CO -0.13 1.03 0.22 0.00 -1.00 0.00 0.00 179.01 179.13 3ixj h ALA 291 N 0.77 1.34 0.05 3.43 0.00 -1.39 -1.50 119.26 121.96 3ixj h ALA 291 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ixj h ALA 291 Cb 0.84 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ixj h ALA 291 CO 0.07 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 3ixj h ALA 292 N 1.45 -0.07 -0.93 0.00 0.00 -0.31 -2.16 119.26 117.24 3ixj h ALA 292 Ca 0.19 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ixj h ALA 292 Cb 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3ixj h ALA 292 CO -0.02 -0.32 0.61 0.28 0.00 0.00 0.00 179.25 179.81 3ixj h VAL 293 N -0.51 1.14 -0.55 0.00 2.07 -0.67 -0.33 116.25 117.40 3ixj h VAL 293 Ca -0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3ixj h VAL 293 Cb 0.46 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3ixj h VAL 293 CO 0.01 0.21 0.34 0.50 0.02 0.00 0.00 177.57 178.65 3ixj h LYS 294 N 1.15 0.75 -0.18 1.57 3.64 -1.25 0.23 116.57 122.46 3ixj h LYS 294 Ca 0.38 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 3ixj h LYS 294 Cb 0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3ixj h LYS 294 CO -0.12 0.54 -0.48 1.03 -2.27 0.00 0.00 179.45 178.14 3ixj h SER 295 N 0.74 0.52 0.20 4.20 0.87 -0.92 -2.23 113.55 116.93 3ixj h SER 295 Ca 0.20 -0.25 -0.20 0.00 -1.23 0.00 0.00 61.79 60.31 3ixj h SER 295 Cb -0.02 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3ixj h SER 295 CO -0.04 0.92 -0.77 0.40 -0.53 0.00 0.00 176.83 176.82 3ixj h ILE 296 N 0.38 1.37 -0.02 2.23 2.04 -0.82 -1.97 117.51 120.73 3ixj h ILE 296 Ca 0.02 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.72 3ixj h ILE 296 Cb 0.99 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3ixj h ILE 296 CO 0.09 0.65 0.00 0.11 0.00 0.00 0.00 178.15 179.00 3ixj h LYS 297 N 0.31 0.03 -0.85 2.37 1.57 -0.98 -1.55 116.57 117.47 3ixj h LYS 297 Ca -0.04 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 3ixj h LYS 297 Cb 1.36 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.60 3ixj h LYS 297 CO 0.14 0.32 0.55 0.00 -0.57 0.00 0.00 179.45 179.89 3ixj h ALA 298 N 0.70 1.88 0.02 3.86 0.00 -1.39 -2.26 119.26 122.07 3ixj h ALA 298 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 3ixj h ALA 298 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ixj h ALA 298 CO 0.00 -0.10 -0.97 0.00 0.00 0.00 0.00 179.25 178.18 3ixj h ALA 299 N 1.61 0.34 -0.58 0.00 0.00 -1.27 -3.25 119.26 116.11 3ixj h ALA 299 Ca 0.42 -0.73 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 3ixj h ALA 299 Cb 0.70 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 3ixj h ALA 299 CO -0.18 0.84 0.27 -1.13 0.00 0.00 0.00 179.25 179.05 3ixj n SER 300 N -3.72 3.88 -0.34 0.00 3.41 -0.59 -4.68 113.62 111.58 3ixj n SER 300 Ca -0.07 -2.93 0.22 0.00 -0.26 0.00 0.00 58.87 55.83 3ixj n SER 300 Cb 0.86 -0.69 0.46 0.00 -0.26 0.00 0.00 64.21 64.57 3ixj n SER 300 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ixj h SER 301 N 1.61 0.55 0.00 4.04 0.02 -1.47 -2.24 113.55 116.05 3ixj h SER 301 Ca 0.26 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3ixj h SER 301 Cb 1.99 0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.59 3ixj h SER 301 CO 0.60 0.03 0.32 0.71 -1.14 0.00 0.00 176.83 177.34 3ixj h THR 302 N 0.44 0.00 -4.01 -2.27 1.35 -1.90 -3.39 112.91 103.13 3ixj h THR 302 Ca 0.67 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 66.15 3ixj h THR 302 Cb 1.50 0.64 -0.28 0.00 -1.73 0.00 0.00 68.15 68.28 3ixj h THR 302 CO -0.45 0.00 -0.77 -1.61 -0.25 0.00 0.00 175.52 172.43 3ixj s GLU 303 N -4.02 0.69 -0.04 4.72 2.02 -0.84 -5.15 118.70 116.06 3ixj s GLU 303 Ca -0.03 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 3ixj s GLU 303 Cb 0.08 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.62 3ixj s GLU 303 CO 0.26 0.17 0.12 0.21 0.02 0.00 0.00 175.26 176.04 3ixj s LYS 304 N -0.38 3.26 0.07 1.61 2.36 -1.26 -4.93 119.74 120.47 3ixj s LYS 304 Ca 0.02 -0.34 0.05 0.00 -2.55 0.00 0.00 55.97 53.16 3ixj s LYS 304 Cb -0.04 -3.01 -0.03 0.00 -1.05 0.00 0.00 37.83 33.70 3ixj s LYS 304 CO -0.00 0.70 -0.14 -0.06 1.55 0.00 0.00 175.35 177.39 3ixj s PHE 305 N -1.16 1.22 0.47 4.03 0.40 -1.26 -5.13 117.98 116.56 3ixj s PHE 305 Ca 0.21 -0.44 -0.23 0.00 -0.60 0.00 0.00 56.93 55.87 3ixj s PHE 305 Cb -0.12 -0.69 -0.08 0.00 0.51 0.00 0.00 43.02 42.63 3ixj s PHE 305 CO 0.12 0.05 1.18 -0.35 0.70 0.00 0.00 175.22 176.92 3ixj n PRO 306 N 1.40 1.61 0.04 0.24 -0.04 -1.26 -4.85 135.00 132.14 3ixj n PRO 306 Ca -0.21 0.58 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 3ixj n PRO 306 Cb 0.54 -2.31 0.35 0.00 -0.04 0.00 0.00 33.50 32.04 3ixj n PRO 306 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ixj n ASP 307 N -0.09 0.21 0.24 3.54 5.75 -1.26 -1.08 116.55 123.87 3ixj n ASP 307 Ca 0.09 0.56 0.14 0.00 -0.01 0.00 0.00 54.79 55.56 3ixj n ASP 307 Cb 0.42 -0.60 0.40 0.00 -1.03 0.00 0.00 41.12 40.31 3ixj n ASP 307 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3ixj h GLY 308 N 2.19 0.00 0.86 6.12 0.00 -1.96 -3.05 103.07 107.22 3ixj h GLY 308 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3ixj h GLY 308 CO 0.00 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.76 3ixj h PHE 309 N 0.00 0.53 0.00 5.60 3.57 -1.29 -0.13 116.94 125.22 3ixj h PHE 309 Ca -0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3ixj h PHE 309 Cb 0.79 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3ixj h PHE 309 CO 0.00 0.66 0.00 -1.49 -2.23 0.00 0.00 178.31 175.25 3ixj h TRP 310 N 0.24 0.00 -0.01 0.41 4.06 -1.65 -1.11 115.95 117.89 3ixj h TRP 310 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3ixj h TRP 310 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 3ixj h TRP 310 CO 0.04 0.00 -0.05 1.28 -3.56 0.00 0.00 178.44 176.16 3ixj n LEU 311 N -2.57 1.44 -0.82 -4.49 4.77 -1.16 -4.94 117.00 109.23 3ixj n LEU 311 Ca 0.02 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.43 3ixj n LEU 311 Cb 0.27 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3ixj n LEU 311 CO 0.23 0.24 -0.10 0.61 -1.33 0.00 0.00 177.39 177.05 3ixj n GLY 312 N 1.21 0.89 0.00 -0.72 0.00 -0.42 -4.89 105.19 101.26 3ixj n GLY 312 Ca 0.18 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.56 0.77 -4.32 1.61 1.02 -0.11 -4.90 120.64 112.15 3ixj n GLU 313 Ca -0.10 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.78 3ixj n GLU 313 Cb 0.37 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 30.24 3ixj n GLU 313 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3ixj s GLN 314 N -3.01 0.67 0.63 3.49 0.74 -0.88 -4.95 119.66 116.35 3ixj s GLN 314 Ca 0.00 -0.29 -0.11 0.00 0.05 0.00 0.00 55.36 55.02 3ixj s GLN 314 Cb 0.13 -0.65 -0.03 0.00 1.10 0.00 0.00 33.01 33.56 3ixj s GLN 314 CO 0.77 0.17 1.04 -0.51 -0.55 0.00 0.00 175.29 176.20 3ixj s LEU 315 N -0.15 3.19 -0.06 3.68 1.43 -1.26 -4.30 118.68 121.20 3ixj s LEU 315 Ca 0.03 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 3ixj s LEU 315 Cb -0.04 -4.42 0.01 0.00 0.03 0.00 0.00 46.19 41.78 3ixj s LEU 315 CO -0.00 -0.95 -0.11 -0.69 0.23 0.00 0.00 176.35 174.83 3ixj s VAL 316 N -3.19 1.01 0.08 -1.59 1.01 -0.81 -4.95 120.40 111.96 3ixj s VAL 316 Ca 0.55 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.21 3ixj s VAL 316 Cb -0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3ixj s VAL 316 CO 0.54 0.33 -0.21 0.00 0.00 0.00 0.00 175.10 175.75 3ixj s TRP 318 N -0.98 1.08 0.32 0.00 0.51 -0.53 -5.00 118.94 114.34 3ixj s TRP 318 Ca 0.15 -0.88 -0.27 0.00 -2.12 0.00 0.00 56.10 52.97 3ixj s TRP 318 Cb -0.10 -0.59 -0.09 0.00 -0.81 0.00 0.00 33.47 31.87 3ixj s TRP 318 CO 0.06 -0.08 1.05 1.14 -0.51 0.00 0.00 176.95 178.60 3ixj s GLN 319 N -3.82 4.50 -0.65 4.98 -2.07 -1.26 -4.24 119.66 117.09 3ixj s GLN 319 Ca 0.16 1.62 -0.16 0.00 -1.82 0.00 0.00 55.36 55.15 3ixj s GLN 319 Cb 0.05 -2.94 -0.17 0.00 -1.09 0.00 0.00 33.01 28.86 3ixj s GLN 319 CO -0.01 0.14 1.66 0.00 -1.32 0.00 0.00 175.29 175.75 3ixj n ALA 320 N 0.73 0.35 -0.19 2.60 0.00 -1.26 -0.84 120.51 121.90 3ixj n ALA 320 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3ixj n ALA 320 Cb 0.47 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 4.05 0.88 0.33 0.00 0.00 -1.15 -4.97 105.19 104.33 3ixj n GLY 321 Ca 0.43 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.19 1.45 -1.69 2.61 -2.24 -0.02 -5.03 114.28 107.16 3ixj n THR 322 Ca 0.00 -1.47 -0.50 0.00 -2.27 0.00 0.00 64.05 59.81 3ixj n THR 322 Cb 0.00 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.48 0.53 -1.68 4.28 -1.04 -1.26 -4.84 114.28 109.78 3ixj n THR 323 Ca 0.11 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 3ixj n THR 323 Cb 0.50 -1.74 -0.01 0.00 -1.82 0.00 0.00 70.33 67.27 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 6.41 3.04 -0.24 -2.82 -0.04 -1.26 -4.75 135.00 135.33 3ixj n PRO 324 Ca 0.24 -2.57 0.02 0.00 -0.04 0.00 0.00 63.50 61.15 3ixj n PRO 324 Cb 0.26 -3.19 0.15 0.00 -0.04 0.00 0.00 33.50 30.68 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 5.81 0.55 -0.01 0.54 4.06 -1.95 -2.74 115.95 122.21 3ixj h TRP 325 Ca 0.62 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.60 3ixj h TRP 325 Cb 0.57 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.59 3ixj h TRP 325 CO 1.53 0.15 0.01 -2.95 -3.56 0.00 0.00 178.44 173.62 3ixj h ASN 326 N 0.51 0.00 1.38 -3.49 -1.07 -2.01 -1.20 115.58 109.70 3ixj h ASN 326 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.73 3ixj h ASN 326 Cb 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.71 3ixj h ASN 326 CO -0.32 0.00 0.00 0.16 0.07 0.00 0.00 177.43 177.34 3ixj h ILE 327 N 0.00 0.00 -3.30 6.14 3.07 -1.85 -3.44 117.51 118.14 3ixj h ILE 327 Ca 0.01 -0.64 -0.57 0.00 1.55 0.00 0.00 64.86 65.20 3ixj h ILE 327 Cb 0.03 1.61 -0.06 0.00 -0.27 0.00 0.00 36.82 38.12 3ixj h ILE 327 CO -0.00 0.00 -0.06 -0.36 -1.05 0.00 0.00 178.15 176.68 3ixj s PHE 328 N -3.39 3.62 0.69 0.16 0.08 -0.46 -3.48 117.98 115.20 3ixj s PHE 328 Ca 0.05 1.09 -0.11 0.00 0.12 0.00 0.00 56.93 58.08 3ixj s PHE 328 Cb 0.08 -2.59 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 3ixj s PHE 328 CO 0.57 0.28 1.08 -1.25 -0.10 0.00 0.00 175.22 175.81 3ixj s PRO 329 N 0.12 2.94 0.34 0.24 0.04 -1.26 -4.77 135.00 132.65 3ixj s PRO 329 Ca 0.30 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 61.65 3ixj s PRO 329 Cb -0.17 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3ixj s PRO 329 CO 0.15 -0.97 0.76 0.14 0.04 0.00 0.00 177.00 177.12 3ixj s VAL 330 N -3.32 4.67 -0.14 -0.36 -7.23 -1.26 -4.30 120.40 108.46 3ixj s VAL 330 Ca 0.58 0.96 0.02 0.00 -1.81 0.00 0.00 61.98 61.72 3ixj s VAL 330 Cb -0.11 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.21 3ixj s VAL 330 CO 0.52 -0.24 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.24 3ixj s ILE 331 N -2.05 2.31 -0.16 -0.62 1.01 -0.98 -1.65 121.20 119.06 3ixj s ILE 331 Ca 0.55 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3ixj s ILE 331 Cb -0.10 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3ixj s ILE 331 CO 0.19 0.54 -0.13 -0.44 0.00 0.00 0.00 174.94 175.10 3ixj s SER 332 N 0.71 3.87 -0.25 3.58 0.01 -0.02 -1.07 113.70 120.53 3ixj s SER 332 Ca -0.09 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 3ixj s SER 332 Cb -0.16 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 3ixj s SER 332 CO 0.01 0.09 0.08 -0.76 0.41 0.00 0.00 173.24 173.07 3ixj s LEU 333 N 0.77 3.51 -0.16 2.44 1.43 -0.04 -1.56 118.68 125.07 3ixj s LEU 333 Ca -0.05 -0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 52.61 3ixj s LEU 333 Cb -0.15 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3ixj s LEU 333 CO 0.01 -0.05 0.66 -0.31 0.23 0.00 0.00 176.35 176.89 3ixj s TYR 334 N 1.62 3.43 0.01 0.29 1.51 0.12 -1.15 117.35 123.18 3ixj s TYR 334 Ca 0.06 1.03 0.04 0.00 -1.01 0.00 0.00 57.07 57.19 3ixj s TYR 334 Cb -0.15 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 3ixj s TYR 334 CO 0.04 -0.11 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.79 3ixj s LEU 335 N 1.63 3.12 0.17 -1.29 1.43 0.95 -0.17 118.68 124.52 3ixj s LEU 335 Ca 0.31 -0.17 -0.33 0.00 -1.03 0.00 0.00 54.13 52.90 3ixj s LEU 335 Cb -0.16 -1.80 -0.15 0.00 0.03 0.00 0.00 46.19 44.11 3ixj s LEU 335 CO 0.12 0.28 1.33 0.80 0.23 0.00 0.00 176.35 179.11 3ixj n MET 336 N 1.53 1.54 -0.24 1.70 0.00 -1.00 -2.12 117.12 118.53 3ixj n MET 336 Ca -0.15 0.55 0.00 0.00 -0.00 0.00 0.00 57.70 58.10 3ixj n MET 336 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 33.22 31.58 3ixj n MET 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ixj n GLY 337 N 2.40 0.72 0.08 -5.12 0.00 0.52 -4.14 105.19 99.65 3ixj n GLY 337 Ca 0.15 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.29 3ixj n GLY 337 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ixj n GLU 338 N -0.41 0.64 -4.04 1.61 1.02 -1.25 -4.47 120.64 113.74 3ixj n GLU 338 Ca 0.00 0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 56.96 3ixj n GLU 338 Cb 0.00 -1.68 -0.07 0.00 -0.02 0.00 0.00 31.44 29.68 3ixj n GLU 338 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ixj s VAL 339 N -3.01 2.39 0.17 2.62 -7.23 -1.26 -5.07 120.40 109.02 3ixj s VAL 339 Ca -0.05 -1.64 -0.33 0.00 -1.81 0.00 0.00 61.98 58.15 3ixj s VAL 339 Cb 0.09 -3.00 -0.12 0.00 0.56 0.00 0.00 36.38 33.91 3ixj s VAL 339 CO 0.84 -0.01 1.70 0.41 -0.31 0.00 0.00 175.10 177.73 3ixj n THR 340 N -1.28 0.07 -2.21 5.32 -1.04 -1.26 -2.15 114.28 111.73 3ixj n THR 340 Ca -0.00 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.82 3ixj n THR 340 Cb 0.64 -1.87 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 3ixj n THR 340 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ixj n ASN 341 N 4.14 -4.98 -4.29 8.00 5.03 -1.26 -4.97 115.26 116.94 3ixj n ASN 341 Ca 0.17 0.15 -0.32 0.00 0.87 0.00 0.00 54.58 55.45 3ixj n ASN 341 Cb 0.33 -4.24 -0.16 0.00 -1.02 0.00 0.00 39.78 34.70 3ixj n ASN 341 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3ixj s GLN 342 N -4.69 3.02 0.38 3.52 -0.44 -0.91 -1.99 119.66 118.55 3ixj s GLN 342 Ca 0.00 -0.82 0.04 0.00 -2.50 0.00 0.00 55.36 52.08 3ixj s GLN 342 Cb 0.00 -2.37 -0.04 0.00 -1.64 0.00 0.00 33.01 28.96 3ixj s GLN 342 CO 0.00 0.26 0.11 -1.54 0.50 0.00 0.00 175.29 174.61 3ixj s SER 343 N 0.18 2.61 0.11 6.67 1.04 0.53 -0.35 113.70 124.50 3ixj s SER 343 Ca -0.12 -1.58 -0.06 0.00 0.48 0.00 0.00 55.95 54.67 3ixj s SER 343 Cb -0.16 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 3ixj s SER 343 CO 0.07 -0.84 0.15 0.72 0.98 0.00 0.00 173.24 174.32 3ixj s PHE 344 N -3.26 0.45 0.06 5.02 -0.71 -0.90 -0.36 117.98 118.28 3ixj s PHE 344 Ca 0.27 -0.86 0.10 0.00 -1.04 0.00 0.00 56.93 55.40 3ixj s PHE 344 Cb 0.04 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 3ixj s PHE 344 CO 0.14 -0.57 -0.26 -0.98 -1.34 0.00 0.00 175.22 172.21 3ixj s ARG 345 N -3.95 1.72 -0.14 1.99 1.70 -0.22 -0.03 118.95 120.02 3ixj s ARG 345 Ca 0.13 -1.16 -0.01 0.00 -0.47 0.00 0.00 55.73 54.22 3ixj s ARG 345 Cb 0.05 -1.97 -0.02 0.00 -0.57 0.00 0.00 34.95 32.45 3ixj s ARG 345 CO -0.05 0.50 -0.11 0.96 -1.08 0.00 0.00 175.30 175.53 3ixj s ILE 346 N -0.86 3.21 -0.16 4.99 -4.36 -0.30 -1.58 121.20 122.14 3ixj s ILE 346 Ca 0.12 -0.60 -0.00 0.00 -0.26 0.00 0.00 60.65 59.91 3ixj s ILE 346 Cb -0.10 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.24 3ixj s ILE 346 CO 0.03 0.51 -0.15 -0.89 0.24 0.00 0.00 174.94 174.68 3ixj s THR 347 N 0.48 2.65 0.23 8.37 2.01 0.06 -0.86 115.64 128.58 3ixj s THR 347 Ca -0.08 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.23 3ixj s THR 347 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3ixj s THR 347 CO 0.04 0.51 0.09 0.27 -0.69 0.00 0.00 174.62 174.84 3ixj s ILE 348 N 0.92 4.01 0.38 1.82 -4.36 -0.23 -2.13 121.20 121.60 3ixj s ILE 348 Ca -0.03 -1.51 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 3ixj s ILE 348 Cb -0.15 -3.11 -0.01 0.00 1.25 0.00 0.00 42.46 40.44 3ixj s ILE 348 CO -0.02 -0.27 0.46 -0.76 0.24 0.00 0.00 174.94 174.59 3ixj s LEU 349 N -3.48 3.71 0.57 0.37 1.43 -1.26 -2.33 118.68 117.69 3ixj s LEU 349 Ca 0.31 -0.41 0.27 0.00 -1.03 0.00 0.00 54.13 53.27 3ixj s LEU 349 Cb -0.08 -2.52 1.52 0.00 0.03 0.00 0.00 46.19 45.14 3ixj s LEU 349 CO 0.22 -0.56 2.04 1.55 0.23 0.00 0.00 176.35 179.83 3ixj h PRO 350 N 0.89 0.00 -0.07 1.29 0.13 -1.86 -0.44 132.00 131.94 3ixj h PRO 350 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 3ixj h PRO 350 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3ixj h PRO 350 CO 0.52 0.00 0.10 1.96 -0.23 0.00 0.00 178.00 180.35 3ixj h GLN 351 N 0.00 0.00 0.07 0.86 7.50 -1.86 0.68 115.11 122.35 3ixj h GLN 351 Ca 0.15 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 59.00 3ixj h GLN 351 Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.22 3ixj h GLN 351 CO -0.00 0.00 -1.60 1.96 -1.50 0.00 0.00 178.83 177.69 3ixj h GLN 352 N 0.00 0.14 -0.01 1.46 7.50 -1.36 -3.41 115.11 119.43 3ixj h GLN 352 Ca 0.04 -0.24 0.00 0.00 0.50 0.00 0.00 58.65 58.95 3ixj h GLN 352 Cb 0.24 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.85 3ixj h GLN 352 CO -0.00 1.11 -0.24 2.48 -1.50 0.00 0.00 178.83 180.69 3ixj n TYR 353 N -3.97 0.00 -3.67 2.96 0.18 -1.06 -4.52 117.16 107.08 3ixj n TYR 353 Ca -0.31 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.08 3ixj n TYR 353 Cb 0.86 -0.07 -0.10 0.00 -0.38 0.00 0.00 39.34 39.65 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 -2.38 5.48 0.03 -3.48 1.43 0.21 -0.40 118.68 119.56 3ixj s LEU 354 Ca 0.26 -2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 50.95 3ixj s LEU 354 Cb 0.19 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3ixj s LEU 354 CO 0.48 -0.58 1.05 -0.13 0.23 0.00 0.00 176.35 177.40 3ixj s ARG 355 N 1.05 4.53 0.06 1.70 0.52 -0.71 -4.76 118.95 121.34 3ixj s ARG 355 Ca 0.09 1.53 -0.31 0.00 -0.52 0.00 0.00 55.73 56.52 3ixj s ARG 355 Cb -0.23 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 31.75 3ixj s ARG 355 CO -0.03 -0.10 1.36 -1.25 0.02 0.00 0.00 175.30 175.30 3ixj s PRO 356 N 0.96 4.32 -0.18 3.54 0.04 -1.26 -1.27 135.00 141.16 3ixj s PRO 356 Ca 0.54 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.55 3ixj s PRO 356 Cb -0.24 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 30.91 3ixj s PRO 356 CO 0.29 -0.47 -0.16 0.08 0.04 0.00 0.00 177.00 176.78 3ixj s VAL 357 N 1.65 2.48 -0.39 -0.36 1.01 -0.18 -4.92 120.40 119.68 3ixj s VAL 357 Ca 0.63 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3ixj s VAL 357 Cb -0.33 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3ixj s VAL 357 CO 0.28 0.51 1.11 -0.70 0.00 0.00 0.00 175.10 176.31 3ixj s GLU 358 N 1.13 3.91 0.00 2.72 2.56 -1.26 -4.37 118.70 123.39 3ixj s GLU 358 Ca 0.01 0.85 -0.00 0.00 0.00 0.00 0.00 54.97 55.82 3ixj s GLU 358 Cb -0.14 -3.82 -0.02 0.00 2.00 0.00 0.00 34.13 32.15 3ixj s GLU 358 CO -0.06 -1.13 0.71 -0.40 -0.56 0.00 0.00 175.26 173.82 3ixj n ASP 365 N 7.34 0.46 -0.02 -1.70 5.68 -1.26 -5.00 116.55 122.04 3ixj n ASP 365 Ca 0.12 -1.53 -0.03 0.00 -0.50 0.00 0.00 54.79 52.85 3ixj n ASP 365 Cb 0.48 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 3ixj n ASP 365 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ixj n ASP 366 N 2.85 0.77 -4.51 -1.12 9.92 -1.26 -2.92 116.55 120.28 3ixj n ASP 366 Ca 0.03 0.12 -0.32 0.00 -0.53 0.00 0.00 54.79 54.10 3ixj n ASP 366 Cb 0.08 -0.47 -0.12 0.00 -0.64 0.00 0.00 41.12 39.97 3ixj n ASP 366 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ixj s TYR 368 N -0.90 0.17 -0.12 0.00 2.02 -0.82 -1.02 117.35 116.69 3ixj s TYR 368 Ca 0.15 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3ixj s TYR 368 Cb -0.11 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.29 3ixj s TYR 368 CO 0.05 -0.16 0.00 0.21 -1.57 0.00 0.00 175.55 174.09 3ixj s LYS 369 N -1.08 3.32 -0.43 -0.62 2.20 -0.40 -1.92 119.74 120.82 3ixj s LYS 369 Ca -0.12 -0.42 -0.28 0.00 -0.36 0.00 0.00 55.97 54.80 3ixj s LYS 369 Cb -0.07 -2.90 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3ixj s LYS 369 CO -0.00 0.52 1.86 0.12 -0.36 0.00 0.00 175.35 177.49 3ixj s PHE 370 N -0.38 1.71 -0.39 4.03 5.36 -1.26 -1.73 117.98 125.32 3ixj s PHE 370 Ca 0.07 0.74 0.04 0.00 -0.96 0.00 0.00 56.93 56.82 3ixj s PHE 370 Cb -0.12 -4.08 0.58 0.00 -0.34 0.00 0.00 43.02 39.07 3ixj s PHE 370 CO 0.02 -2.72 1.80 0.00 -1.46 0.00 0.00 175.22 172.86 3ixj n ALA 371 N 11.48 5.18 -3.03 11.12 0.00 0.47 -4.41 120.51 141.32 3ixj n ALA 371 Ca 0.23 -2.51 -0.35 0.00 0.00 0.00 0.00 53.44 50.82 3ixj n ALA 371 Cb 0.49 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.86 4.04 0.28 0.00 1.01 -1.26 -1.93 121.20 120.48 3ixj s ILE 372 Ca 0.49 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.88 3ixj s ILE 372 Cb 0.42 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3ixj s ILE 372 CO 0.10 0.44 0.16 -0.94 0.00 0.00 0.00 174.94 174.70 3ixj s SER 373 N 0.80 1.22 0.12 3.58 1.04 -0.43 -4.87 113.70 115.16 3ixj s SER 373 Ca 0.00 -1.53 -0.12 0.00 0.48 0.00 0.00 55.95 54.78 3ixj s SER 373 Cb -0.14 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 3ixj s SER 373 CO 0.02 -0.89 0.48 -1.58 0.98 0.00 0.00 173.24 172.26 3ixj s GLN 374 N -3.86 3.89 0.02 4.02 0.74 -1.26 -0.78 119.66 122.43 3ixj s GLN 374 Ca 0.37 0.36 0.01 0.00 0.05 0.00 0.00 55.36 56.15 3ixj s GLN 374 Cb 0.05 -2.96 -0.02 0.00 1.10 0.00 0.00 33.01 31.18 3ixj s GLN 374 CO 0.17 0.52 -0.03 0.45 -0.55 0.00 0.00 175.29 175.85 3ixj s SER 375 N -1.73 0.33 0.00 6.67 0.15 0.35 -4.75 113.70 114.72 3ixj s SER 375 Ca 0.36 -0.37 0.09 0.00 0.70 0.00 0.00 55.95 56.72 3ixj s SER 375 Cb -0.15 0.06 0.16 0.00 -1.71 0.00 0.00 66.02 64.38 3ixj s SER 375 CO 0.19 -0.19 0.99 -1.54 1.20 0.00 0.00 173.24 173.89 3ixj n SER 376 N 1.98 2.24 -0.29 5.45 3.41 -1.26 -2.51 113.62 122.65 3ixj n SER 376 Ca -0.20 -1.69 0.09 0.00 -0.26 0.00 0.00 58.87 56.80 3ixj n SER 376 Cb 0.56 -0.09 0.17 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.40 2.01 -0.01 6.66 -2.24 -1.26 -4.80 114.28 115.04 3ixj n THR 377 Ca 0.07 -2.43 0.00 0.00 -2.27 0.00 0.00 64.05 59.42 3ixj n THR 377 Cb 0.31 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.28 -3.52 3.72 3.38 0.00 -1.23 -4.40 105.19 101.86 3ixj n GLY 378 Ca 0.18 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.67 3.68 -0.25 2.61 2.01 0.57 -4.32 115.64 119.26 3ixj s THR 379 Ca 0.00 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.32 3ixj s THR 379 Cb 0.00 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.73 3ixj s THR 379 CO 0.00 0.15 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.27 3ixj s VAL 380 N 0.55 2.20 -1.02 3.82 1.01 -0.48 -1.38 120.40 125.10 3ixj s VAL 380 Ca 0.57 -1.48 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 3ixj s VAL 380 Cb -0.32 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 33.93 3ixj s VAL 380 CO 0.33 0.08 1.35 -0.04 0.00 0.00 0.00 175.10 176.82 3ixj s MET 381 N 1.15 3.66 0.00 2.72 -1.94 0.11 -1.54 119.30 123.46 3ixj s MET 381 Ca -0.06 -1.53 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 3ixj s MET 381 Cb -0.19 -5.19 0.00 0.00 2.01 0.00 0.00 34.83 31.47 3ixj s MET 381 CO -0.06 -2.02 0.00 0.41 -0.01 0.00 0.00 175.02 173.34 3ixj n GLY 382 N 6.06 -0.15 0.29 -0.03 0.00 -1.07 -1.26 105.19 109.02 3ixj n GLY 382 Ca 0.31 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.90 1.94 -0.65 4.61 0.00 -0.88 0.05 119.26 122.42 3ixj h ALA 383 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3ixj h ALA 383 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 3ixj h ALA 383 CO 0.00 0.04 0.23 0.28 0.00 0.00 0.00 179.25 179.80 3ixj h VAL 384 N 0.19 0.72 0.07 0.00 2.07 -1.69 0.16 116.25 117.78 3ixj h VAL 384 Ca 0.08 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3ixj h VAL 384 Cb 0.07 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3ixj h VAL 384 CO -0.01 0.07 -0.03 0.40 0.02 0.00 0.00 177.57 178.02 3ixj h ILE 385 N 0.40 1.19 0.00 4.57 1.08 -1.69 -3.38 117.51 119.68 3ixj h ILE 385 Ca 0.34 -1.51 -0.03 0.00 -0.39 0.00 0.00 64.86 63.27 3ixj h ILE 385 Cb 0.45 2.08 -0.00 0.00 -3.07 0.00 0.00 36.82 36.28 3ixj h ILE 385 CO -0.35 0.34 -0.15 0.24 -0.69 0.00 0.00 178.15 177.55 3ixj h MET 386 N -0.84 0.00 0.00 2.37 2.86 -0.66 -2.13 114.93 116.53 3ixj h MET 386 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ixj h MET 386 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3ixj h MET 386 CO 0.01 0.15 0.00 0.93 1.06 0.00 0.00 176.91 179.06 3ixj h GLU 387 N 0.00 0.00 0.00 1.72 5.08 -0.85 -2.70 114.58 117.83 3ixj h GLU 387 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ixj h GLU 387 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3ixj h GLU 387 CO 0.02 0.00 -0.40 0.78 -1.00 0.00 0.00 179.01 178.41 3ixj h GLY 388 N 2.27 0.00 -4.55 -3.84 0.00 -1.58 -3.39 103.07 91.98 3ixj h GLY 388 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3ixj h GLY 388 CO 0.00 0.00 -0.73 -1.36 0.00 0.00 0.00 176.54 174.45 3ixj s PHE 389 N -3.19 0.68 -0.34 5.60 0.08 -1.02 -1.84 117.98 117.95 3ixj s PHE 389 Ca 0.06 -0.56 -0.22 0.00 0.12 0.00 0.00 56.93 56.34 3ixj s PHE 389 Cb 0.11 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.15 3ixj s PHE 389 CO 0.69 -0.10 0.72 -0.47 -0.10 0.00 0.00 175.22 175.96 3ixj s TYR 390 N -1.67 3.15 -0.25 0.36 5.04 0.80 -4.46 117.35 120.32 3ixj s TYR 390 Ca -0.07 0.54 -0.05 0.00 -2.44 0.00 0.00 57.07 55.05 3ixj s TYR 390 Cb -0.08 -3.24 -0.00 0.00 0.35 0.00 0.00 41.96 38.99 3ixj s TYR 390 CO -0.00 -0.64 0.01 0.08 -1.34 0.00 0.00 175.55 173.66 3ixj s VAL 391 N 2.89 3.63 -0.32 3.14 1.01 -0.18 -2.02 120.40 128.55 3ixj s VAL 391 Ca 0.29 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3ixj s VAL 391 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3ixj s VAL 391 CO 0.15 0.28 0.16 -0.69 0.00 0.00 0.00 175.10 175.00 3ixj s VAL 392 N 1.49 4.66 -1.06 2.92 1.01 0.49 -0.26 120.40 129.64 3ixj s VAL 392 Ca 0.04 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 3ixj s VAL 392 Cb -0.16 -3.39 0.16 0.00 0.00 0.00 0.00 36.38 32.99 3ixj s VAL 392 CO -0.01 0.04 1.24 -0.36 0.00 0.00 0.00 175.10 176.01 3ixj s PHE 393 N 1.62 3.40 -1.21 5.22 0.40 0.30 -0.12 117.98 127.58 3ixj s PHE 393 Ca 0.05 -1.84 -0.14 0.00 -0.60 0.00 0.00 56.93 54.40 3ixj s PHE 393 Cb -0.17 -4.24 0.16 0.00 0.51 0.00 0.00 43.02 39.27 3ixj s PHE 393 CO 0.07 -1.39 1.47 0.34 0.70 0.00 0.00 175.22 176.41 3ixj s ASP 394 N 3.05 7.04 0.39 1.36 -1.08 -0.41 -2.55 116.67 124.48 3ixj s ASP 394 Ca 0.36 -2.92 0.11 0.00 -0.52 0.00 0.00 52.55 49.58 3ixj s ASP 394 Cb -0.04 -2.42 0.81 0.00 -1.46 0.00 0.00 42.92 39.80 3ixj s ASP 394 CO -0.05 -0.80 1.91 0.03 0.52 0.00 0.00 175.17 176.78 3ixj h ARG 395 N 7.23 0.15 0.00 4.34 3.08 -1.73 -0.47 114.38 126.97 3ixj h ARG 395 Ca 0.33 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 3ixj h ARG 395 Cb 0.87 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3ixj h ARG 395 CO 1.27 0.34 -0.35 0.00 -1.07 0.00 0.00 179.97 180.16 3ixj h ALA 396 N 1.67 1.42 -0.17 0.04 0.00 -1.41 -3.05 119.26 117.76 3ixj h ALA 396 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ixj h ALA 396 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ixj h ALA 396 CO 0.03 0.44 0.00 0.54 0.00 0.00 0.00 179.25 180.25 3ixj n ARG 397 N -4.11 2.86 -3.60 0.00 1.74 -1.03 -5.02 116.66 107.50 3ixj n ARG 397 Ca -0.02 -1.86 -0.22 0.00 -0.77 0.00 0.00 57.85 54.98 3ixj n ARG 397 Cb 0.39 -1.19 0.07 0.00 -1.02 0.00 0.00 32.46 30.71 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 -0.09 -6.49 -3.79 5.56 4.81 -0.25 -4.94 118.16 112.96 3ixj n LYS 398 Ca 0.07 0.76 -0.11 0.00 -0.87 0.00 0.00 58.31 58.16 3ixj n LYS 398 Cb 0.38 -5.68 -0.08 0.00 0.02 0.00 0.00 35.03 29.68 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 -5.91 0.79 -0.15 1.64 1.70 -0.80 -0.86 118.95 115.36 3ixj s ARG 399 Ca 0.25 -0.59 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 3ixj s ARG 399 Cb -0.11 0.34 0.02 0.00 -0.57 0.00 0.00 34.95 34.62 3ixj s ARG 399 CO 0.76 -0.25 -0.18 0.42 -1.08 0.00 0.00 175.30 174.97 3ixj s ILE 400 N -2.71 1.84 -0.00 4.99 1.01 0.37 -1.28 121.20 125.41 3ixj s ILE 400 Ca -0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 3ixj s ILE 400 Cb -0.00 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 3ixj s ILE 400 CO -0.04 0.51 0.36 -0.83 0.00 0.00 0.00 174.94 174.93 3ixj s GLY 401 N 1.12 2.40 -0.06 6.18 0.00 0.83 -1.08 107.32 116.72 3ixj s GLY 401 Ca -0.01 -0.32 0.04 0.00 0.00 0.00 0.00 44.72 44.42 3ixj s GLY 401 CO -0.07 -0.01 -0.17 -1.36 0.00 0.00 0.00 173.10 171.50 3ixj s PHE 402 N -1.14 1.79 0.02 1.90 0.40 0.54 -0.38 117.98 121.11 3ixj s PHE 402 Ca 0.24 -0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 3ixj s PHE 402 Cb -0.15 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 3ixj s PHE 402 CO 0.13 -0.24 0.03 0.00 0.70 0.00 0.00 175.22 175.84 3ixj s ALA 403 N 0.27 -0.02 0.11 5.36 0.00 -0.86 -0.71 121.76 125.92 3ixj s ALA 403 Ca -0.10 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 3ixj s ALA 403 Cb -0.14 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.03 3ixj s ALA 403 CO 0.04 -0.19 1.76 0.14 0.00 0.00 0.00 175.76 177.50 3ixj s VAL 404 N -1.61 2.70 0.29 0.00 -7.23 -1.24 -0.14 120.40 113.17 3ixj s VAL 404 Ca -0.14 0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 3ixj s VAL 404 Cb -0.08 -3.14 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 3ixj s VAL 404 CO -0.01 0.00 1.26 -0.55 -0.31 0.00 0.00 175.10 175.49 3ixj s SER 405 N 2.54 6.92 0.00 4.85 0.15 -0.77 -1.86 113.70 125.53 3ixj s SER 405 Ca 0.78 2.52 0.15 0.00 0.70 0.00 0.00 55.95 60.10 3ixj s SER 405 Cb -0.44 -2.63 0.73 0.00 -1.71 0.00 0.00 66.02 61.97 3ixj s SER 405 CO 0.35 -0.44 1.44 0.00 1.20 0.00 0.00 173.24 175.78 3ixj n ALA 406 N 1.35 1.80 -0.93 5.45 0.00 -0.60 -3.07 120.51 124.51 3ixj n ALA 406 Ca 0.01 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3ixj n ALA 406 Cb 0.43 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.71 3ixj n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ixj s HIS 408 N -1.81 3.05 -0.08 0.00 -0.00 -1.18 -4.58 115.29 110.70 3ixj s HIS 408 Ca 0.17 1.59 -0.30 0.00 -0.00 0.00 0.00 55.06 56.52 3ixj s HIS 408 Cb 0.15 -3.23 -0.02 0.00 -0.00 0.00 0.00 32.58 29.48 3ixj s HIS 408 CO 0.02 -1.05 1.06 0.08 -0.00 0.00 0.00 174.74 174.84 3ixj s VAL 409 N -1.65 4.64 0.26 -5.38 1.01 -1.26 -5.02 120.40 113.01 3ixj s VAL 409 Ca 0.62 1.92 -0.12 0.00 0.00 0.00 0.00 61.98 64.40 3ixj s VAL 409 Cb -0.24 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 3ixj s VAL 409 CO 0.30 0.02 0.49 -1.38 0.00 0.00 0.00 175.10 174.52 3ixj s HIS 410 N 1.96 0.44 0.49 5.22 -0.00 -1.26 -4.70 115.29 117.43 3ixj s HIS 410 Ca 0.51 -0.80 0.05 0.00 -0.00 0.00 0.00 55.06 54.81 3ixj s HIS 410 Cb -0.20 0.18 0.05 0.00 -0.00 0.00 0.00 32.58 32.61 3ixj s HIS 410 CO 0.20 -1.04 0.40 -0.40 -0.00 0.00 0.00 174.74 173.91 3ixj n ASP 411 N -0.55 2.47 -0.50 7.38 5.68 -1.21 -5.03 116.55 124.79 3ixj n ASP 411 Ca -0.02 -2.64 0.03 0.00 -0.50 0.00 0.00 54.79 51.67 3ixj n ASP 411 Cb 0.62 -0.07 0.10 0.00 -1.14 0.00 0.00 41.12 40.63 3ixj n ASP 411 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ixj n GLU 412 N -1.69 1.63 -0.08 0.11 -0.00 -1.26 -3.75 120.64 115.59 3ixj n GLU 412 Ca 0.00 -0.85 -0.11 0.00 -0.00 0.00 0.00 57.16 56.21 3ixj n GLU 412 Cb 0.55 -1.26 -0.09 0.00 -0.00 0.00 0.00 31.44 30.64 3ixj n GLU 412 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3ixj n PHE 413 N 0.18 0.00 -4.08 -1.84 3.72 -1.26 -5.07 117.46 109.11 3ixj n PHE 413 Ca 0.08 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.34 3ixj n PHE 413 Cb 0.24 -0.69 -0.12 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.35 0.53 0.16 -1.08 0.52 -1.25 -5.17 118.95 110.31 3ixj s ARG 414 Ca -0.18 -0.70 0.05 0.00 -0.52 0.00 0.00 55.73 54.38 3ixj s ARG 414 Cb 0.06 -0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 3ixj s ARG 414 CO 0.47 0.06 -0.12 0.95 0.02 0.00 0.00 175.30 176.69 3ixj s THR 415 N -1.22 1.33 0.55 0.02 -4.23 -1.26 -3.35 115.64 107.48 3ixj s THR 415 Ca -0.08 -2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 58.17 3ixj s THR 415 Cb -0.09 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.85 3ixj s THR 415 CO 0.00 -0.66 1.29 0.00 -0.54 0.00 0.00 174.62 174.71 3ixj s ALA 416 N -3.07 2.74 0.01 3.99 0.00 -1.26 -4.88 121.76 119.29 3ixj s ALA 416 Ca 0.17 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3ixj s ALA 416 Cb 0.01 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3ixj s ALA 416 CO 0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 175.76 174.48 3ixj s ALA 417 N -1.41 0.53 -0.23 0.00 0.00 -0.91 -4.94 121.76 114.81 3ixj s ALA 417 Ca 0.73 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3ixj s ALA 417 Cb -0.36 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 22.74 3ixj s ALA 417 CO 0.42 0.08 -0.09 0.08 0.00 0.00 0.00 175.76 176.25 3ixj s VAL 418 N -0.54 1.73 0.01 0.00 1.01 -1.26 -0.76 120.40 120.59 3ixj s VAL 418 Ca -0.02 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.77 3ixj s VAL 418 Cb -0.05 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3ixj s VAL 418 CO 0.00 0.02 -0.12 -1.61 0.00 0.00 0.00 175.10 173.39 3ixj s GLU 419 N 1.33 0.91 -0.02 2.72 2.02 -0.61 -4.89 118.70 120.16 3ixj s GLU 419 Ca -0.05 -0.57 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 3ixj s GLU 419 Cb -0.18 -0.89 0.04 0.00 0.10 0.00 0.00 34.13 33.21 3ixj s GLU 419 CO -0.07 0.23 0.61 0.41 0.02 0.00 0.00 175.26 176.47 3ixj n GLY 420 N 2.35 0.40 3.87 -1.39 0.00 -1.26 -1.05 105.19 108.10 3ixj n GLY 420 Ca -0.16 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 3ixj n GLY 420 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ixj s PRO 421 N -2.01 3.22 0.20 1.61 0.04 -1.26 -5.10 135.00 131.71 3ixj s PRO 421 Ca 0.14 0.68 0.08 0.00 0.04 0.00 0.00 61.00 61.94 3ixj s PRO 421 Cb -0.00 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3ixj s PRO 421 CO -0.01 -0.82 -0.15 -0.06 0.04 0.00 0.00 177.00 176.00 3ixj s PHE 422 N -3.22 1.72 -0.18 0.56 0.08 0.52 -4.97 117.98 112.49 3ixj s PHE 422 Ca 0.57 -0.56 -0.07 0.00 0.12 0.00 0.00 56.93 56.99 3ixj s PHE 422 Cb -0.11 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 3ixj s PHE 422 CO 0.53 0.36 0.05 0.08 -0.10 0.00 0.00 175.22 176.14 3ixj s VAL 423 N -2.89 4.63 -0.05 -0.44 1.01 -1.26 -0.34 120.40 121.05 3ixj s VAL 423 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 3ixj s VAL 423 Cb -0.01 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.33 3ixj s VAL 423 CO 0.07 0.46 0.11 -0.89 0.00 0.00 0.00 175.10 174.85 3ixj s THR 424 N 0.42 -0.11 0.34 3.92 2.01 -0.84 -4.91 115.64 116.47 3ixj s THR 424 Ca 0.02 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 3ixj s THR 424 Cb -0.13 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 3ixj s THR 424 CO 0.01 0.11 0.64 -0.76 -0.69 0.00 0.00 174.62 173.93 3ixj s LEU 425 N 1.52 3.96 -1.39 4.42 1.43 -1.26 -4.34 118.68 123.01 3ixj s LEU 425 Ca -0.05 0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 3ixj s LEU 425 Cb -0.12 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.42 3ixj s LEU 425 CO -0.05 -0.29 0.78 0.47 0.23 0.00 0.00 176.35 177.50 3ixj n ASP 426 N -1.14 -2.38 0.01 2.29 10.43 -1.26 -4.90 116.55 119.60 3ixj n ASP 426 Ca -0.00 -0.81 -0.00 0.00 2.57 0.00 0.00 54.79 56.54 3ixj n ASP 426 Cb 0.54 -3.95 0.30 0.00 1.84 0.00 0.00 41.12 39.84 3ixj n ASP 426 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 3ixj h MET 427 N -1.95 0.51 0.00 -1.24 2.86 -2.01 -2.34 114.93 110.76 3ixj h MET 427 Ca -0.60 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 56.88 3ixj h MET 427 Cb 1.37 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 3ixj h MET 427 CO 0.60 0.55 -0.22 0.93 1.06 0.00 0.00 176.91 179.84 3ixj h GLU 428 N 0.48 0.00 0.00 1.72 4.39 -1.97 -2.46 114.58 116.74 3ixj h GLU 428 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3ixj h GLU 428 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ixj h GLU 428 CO 0.01 0.22 0.00 -0.25 -1.16 0.00 0.00 179.01 177.83 3ixj n ASP 429 N -4.18 0.38 0.20 1.42 8.00 -0.88 -2.66 116.55 118.84 3ixj n ASP 429 Ca -0.02 0.61 0.09 0.00 0.71 0.00 0.00 54.79 56.18 3ixj n ASP 429 Cb 0.28 -0.68 0.17 0.00 -0.02 0.00 0.00 41.12 40.87 3ixj n ASP 429 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ixj s GLY 431 N -4.28 2.90 0.25 0.00 0.00 -1.09 -3.61 107.32 101.48 3ixj s GLY 431 Ca 0.06 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 3ixj s GLY 431 CO 0.68 1.59 1.06 -0.47 0.00 0.00 0.00 173.10 175.96 3ixj s TYR 432 N 0.09 3.68 0.00 1.90 5.04 -1.25 -4.98 117.35 121.82 3ixj s TYR 432 Ca 0.49 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.85 3ixj s TYR 432 Cb -0.26 -3.21 0.00 0.00 0.35 0.00 0.00 41.96 38.84 3ixj s TYR 432 CO 0.31 -0.32 0.29 0.09 -1.34 0.00 0.00 175.55 174.58