#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6l n GLY 40 N 0.00 -1.91 3.39 1.09 0.00 -1.26 -0.64 105.19 105.86 3g6l n GLY 40 Ca 0.00 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 3g6l n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6l s SER 41 N -4.00 3.24 0.24 1.61 0.01 -0.58 -4.51 113.70 109.71 3g6l s SER 41 Ca 0.00 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.17 3g6l s SER 41 Cb 0.00 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 3g6l s SER 41 CO 0.00 0.13 1.23 -0.63 0.41 0.00 0.00 173.24 174.38 3g6l s ILE 42 N -1.36 3.28 -0.37 1.44 1.01 -0.44 -0.84 121.20 123.92 3g6l s ILE 42 Ca 0.16 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.97 3g6l s ILE 42 Cb -0.09 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.78 3g6l s ILE 42 CO 0.07 0.22 0.21 0.21 0.00 0.00 0.00 174.94 175.65 3g6l s ASN 43 N -0.17 3.27 -0.08 3.58 3.04 -1.24 -0.34 114.94 123.00 3g6l s ASN 43 Ca 0.51 -2.24 -0.04 0.00 0.04 0.00 0.00 52.86 51.12 3g6l s ASN 43 Cb -0.35 -0.62 -0.04 0.00 -1.54 0.00 0.00 41.25 38.71 3g6l s ASN 43 CO 0.41 -0.31 0.11 0.00 -3.04 0.00 0.00 177.10 174.27 3g6l s ALA 44 N 0.93 3.73 -0.03 1.71 0.00 -0.06 -1.07 121.76 126.97 3g6l s ALA 44 Ca 0.17 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 3g6l s ALA 44 Cb -0.23 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.11 3g6l s ALA 44 CO -0.03 0.64 0.01 0.08 0.00 0.00 0.00 175.76 176.47 3g6l s VAL 45 N -1.06 0.14 0.15 0.00 1.01 0.96 -1.03 120.40 120.57 3g6l s VAL 45 Ca 0.17 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 3g6l s VAL 45 Cb -0.12 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 35.93 3g6l s VAL 45 CO 0.07 0.15 1.11 -0.31 0.00 0.00 0.00 175.10 176.13 3g6l s TYR 46 N 1.24 3.57 -0.11 5.22 2.02 -0.03 0.25 117.35 129.51 3g6l s TYR 46 Ca -0.07 1.56 -0.01 0.00 -0.37 0.00 0.00 57.07 58.18 3g6l s TYR 46 Cb -0.13 -3.29 0.03 0.00 -0.40 0.00 0.00 41.96 38.17 3g6l s TYR 46 CO -0.02 -0.69 -0.03 0.12 -1.57 0.00 0.00 175.55 173.35 3g6l s PHE 47 N 0.01 1.16 -0.05 2.71 5.36 -0.82 -0.84 117.98 125.52 3g6l s PHE 47 Ca 0.51 -0.58 -0.15 0.00 -0.96 0.00 0.00 56.93 55.74 3g6l s PHE 47 Cb -0.29 -1.06 -0.05 0.00 -0.34 0.00 0.00 43.02 41.27 3g6l s PHE 47 CO 0.34 -0.47 0.41 0.95 -1.46 0.00 0.00 175.22 174.99 3g6l s THR 48 N 1.81 5.10 -0.06 0.12 -4.23 -1.26 -1.75 115.64 115.37 3g6l s THR 48 Ca 0.04 0.83 0.31 0.00 -1.18 0.00 0.00 61.69 61.68 3g6l s THR 48 Cb -0.13 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.33 3g6l s THR 48 CO -0.07 0.50 1.91 -0.55 -0.54 0.00 0.00 174.62 175.87 3g6l h ASN 49 N 5.41 0.00 0.26 3.99 -1.07 -1.04 -1.81 115.58 121.32 3g6l h ASN 49 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 3g6l h ASN 49 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 3g6l h ASN 49 CO 0.66 0.00 -0.18 -2.67 0.07 0.00 0.00 177.43 175.31 3g6l n TRP 50 N -2.82 0.00 0.27 4.14 2.14 -1.26 -3.62 117.44 116.29 3g6l n TRP 50 Ca 0.01 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.67 3g6l n TRP 50 Cb 0.27 -0.13 0.43 0.00 -0.81 0.00 0.00 31.31 31.07 3g6l n TRP 50 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3g6l n GLY 51 N 1.30 -0.98 0.05 -1.67 0.00 -0.68 -2.60 105.19 100.61 3g6l n GLY 51 Ca 0.14 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3g6l n GLY 51 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3g6l n ILE 52 N -2.04 0.39 0.00 -0.61 -5.35 -1.23 -1.02 119.36 109.50 3g6l n ILE 52 Ca 0.01 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3g6l n ILE 52 Cb 0.12 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 3g6l n ILE 52 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3g6l n TYR 53 N -1.87 0.00 -0.29 4.28 4.01 -1.07 -4.27 117.16 117.95 3g6l n TYR 53 Ca 0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 3g6l n TYR 53 Cb 0.35 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.67 3g6l n TYR 53 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3g6l h GLY 54 N 0.00 1.31 2.00 2.72 0.00 -1.82 0.88 103.07 108.16 3g6l h GLY 54 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3g6l h GLY 54 CO 0.00 0.21 0.00 3.21 0.00 0.00 0.00 176.54 179.96 3g6l h ARG 55 N 0.90 0.00 -6.40 4.80 3.08 -1.83 -3.47 114.38 111.46 3g6l h ARG 55 Ca 0.42 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.98 3g6l h ARG 55 Cb 0.40 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 3g6l h ARG 55 CO -0.18 0.00 -0.81 -1.71 -1.07 0.00 0.00 179.97 176.20 3g6l n ASN 56 N -2.43 -2.91 -4.11 7.04 5.15 0.30 -4.95 115.26 113.36 3g6l n ASN 56 Ca 0.03 -0.88 -0.33 0.00 -0.60 0.00 0.00 54.58 52.80 3g6l n ASN 56 Cb 0.31 -3.50 -0.15 0.00 -0.53 0.00 0.00 39.78 35.92 3g6l n ASN 56 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3g6l s PHE 57 N -3.50 3.18 0.26 1.20 5.36 -0.19 -5.00 117.98 119.29 3g6l s PHE 57 Ca 0.43 -2.07 0.06 0.00 -0.96 0.00 0.00 56.93 54.40 3g6l s PHE 57 Cb -0.22 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 3g6l s PHE 57 CO 0.86 -0.84 0.28 -0.65 -1.46 0.00 0.00 175.22 173.41 3g6l s GLN 58 N 1.18 3.09 0.34 10.12 -1.52 -1.26 -3.48 119.66 128.12 3g6l s GLN 58 Ca -0.05 -0.97 0.08 0.00 -1.95 0.00 0.00 55.36 52.46 3g6l s GLN 58 Cb -0.19 -2.68 0.77 0.00 -0.22 0.00 0.00 33.01 30.70 3g6l s GLN 58 CO -0.05 0.36 1.85 -1.35 -0.25 0.00 0.00 175.29 175.84 3g6l h PRO 59 N 1.32 0.72 0.00 2.91 0.11 -1.93 -2.45 132.00 132.69 3g6l h PRO 59 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3g6l h PRO 59 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3g6l h PRO 59 CO 0.60 0.48 0.00 0.00 -0.21 0.00 0.00 178.00 178.87 3g6l h ALA 60 N 1.59 1.00 0.00 -0.75 0.00 -1.96 -1.66 119.26 117.49 3g6l h ALA 60 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3g6l h ALA 60 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3g6l h ALA 60 CO -0.24 0.00 -0.05 -0.25 0.00 0.00 0.00 179.25 178.70 3g6l n ASP 61 N -2.51 0.42 -4.72 0.00 8.00 -0.92 -4.87 116.55 111.96 3g6l n ASP 61 Ca -0.00 0.48 -0.39 0.00 0.71 0.00 0.00 54.79 55.59 3g6l n ASP 61 Cb 0.14 -0.57 0.04 0.00 -0.02 0.00 0.00 41.12 40.71 3g6l n ASP 61 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g6l n LEU 62 N -1.87 5.00 -4.04 0.64 4.77 -0.63 -4.90 117.00 115.98 3g6l n LEU 62 Ca 0.06 0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 56.61 3g6l n LEU 62 Cb 0.39 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 3g6l n LEU 62 CO 0.29 -0.71 2.40 0.00 -1.33 0.00 0.00 177.39 178.04 3g6l n GLN 63 N -0.75 3.00 0.24 3.23 6.02 -1.26 -4.81 117.38 123.05 3g6l n GLN 63 Ca 0.10 -2.89 0.17 0.00 -0.01 0.00 0.00 57.00 54.38 3g6l n GLN 63 Cb 0.44 -3.35 0.88 0.00 1.02 0.00 0.00 30.24 29.23 3g6l n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g6l h ALA 64 N 6.55 1.65 -0.00 -1.58 0.00 -1.92 0.86 119.26 124.82 3g6l h ALA 64 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3g6l h ALA 64 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3g6l h ALA 64 CO 1.72 -0.24 -0.01 -1.13 0.00 0.00 0.00 179.25 179.59 3g6l n SER 65 N -3.65 0.05 -0.28 0.00 3.41 -1.26 -3.48 113.62 108.41 3g6l n SER 65 Ca 0.00 -0.25 0.03 0.00 -0.26 0.00 0.00 58.87 58.40 3g6l n SER 65 Cb 0.28 -0.24 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 3g6l n SER 65 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g6l n LYS 66 N -1.23 0.91 -4.99 4.33 5.02 0.29 -5.00 118.16 117.48 3g6l n LYS 66 Ca 0.15 -1.19 -0.32 0.00 -2.02 0.00 0.00 58.31 54.93 3g6l n LYS 66 Cb 0.24 -1.13 -0.15 0.00 -0.02 0.00 0.00 35.03 33.96 3g6l n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g6l s ILE 67 N -0.68 2.62 -0.07 -0.18 1.01 -1.20 -4.80 121.20 117.90 3g6l s ILE 67 Ca 0.09 -0.83 0.22 0.00 0.00 0.00 0.00 60.65 60.12 3g6l s ILE 67 Cb 0.06 -2.04 -0.29 0.00 0.01 0.00 0.00 42.46 40.19 3g6l s ILE 67 CO 0.08 0.55 0.51 0.00 0.00 0.00 0.00 174.94 176.08 3g6l n LEU 68 N 3.29 0.11 -3.65 2.97 -0.00 -0.23 -4.26 117.00 115.23 3g6l n LEU 68 Ca -0.18 0.04 -0.19 0.00 -0.00 0.00 0.00 56.01 55.68 3g6l n LEU 68 Cb 0.53 0.04 -0.16 0.00 -0.00 0.00 0.00 43.42 43.82 3g6l n LEU 68 CO 0.28 0.03 -0.28 -1.00 -0.00 0.00 0.00 177.39 176.43 3g6l s HIS 69 N -3.39 -0.07 -0.24 1.47 3.76 -1.20 -0.27 115.29 115.35 3g6l s HIS 69 Ca -0.07 0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 55.04 3g6l s HIS 69 Cb 0.13 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.39 3g6l s HIS 69 CO 0.89 -0.30 0.43 0.08 -0.85 0.00 0.00 174.74 174.99 3g6l s VAL 70 N 2.24 5.15 -0.96 -0.90 1.01 0.31 -0.03 120.40 127.21 3g6l s VAL 70 Ca 0.04 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 3g6l s VAL 70 Cb -0.13 -3.75 0.15 0.00 0.00 0.00 0.00 36.38 32.65 3g6l s VAL 70 CO -0.06 0.16 1.12 -0.76 0.00 0.00 0.00 175.10 175.57 3g6l s LEU 71 N 1.91 5.34 -0.35 3.92 1.43 0.14 -0.42 118.68 130.64 3g6l s LEU 71 Ca 0.18 -2.32 -0.29 0.00 -1.03 0.00 0.00 54.13 50.67 3g6l s LEU 71 Cb -0.15 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 3g6l s LEU 71 CO 0.09 -0.92 1.52 -0.47 0.23 0.00 0.00 176.35 176.79 3g6l s TYR 72 N 2.05 2.25 0.03 0.29 5.04 0.08 -1.95 117.35 125.14 3g6l s TYR 72 Ca 0.32 0.66 0.06 0.00 -2.44 0.00 0.00 57.07 55.67 3g6l s TYR 72 Cb -0.05 -4.18 -0.02 0.00 0.35 0.00 0.00 41.96 38.05 3g6l s TYR 72 CO -0.08 -2.31 -0.17 -1.12 -1.34 0.00 0.00 175.55 170.53 3g6l s SER 73 N 4.35 2.06 0.18 4.32 0.01 -0.72 -0.45 113.70 123.45 3g6l s SER 73 Ca 0.66 -0.45 0.10 0.00 1.31 0.00 0.00 55.95 57.57 3g6l s SER 73 Cb -0.17 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 3g6l s SER 73 CO 0.31 0.12 -0.21 -0.36 0.41 0.00 0.00 173.24 173.51 3g6l s PHE 74 N -0.73 2.07 0.45 2.43 0.08 -1.26 -0.30 117.98 120.72 3g6l s PHE 74 Ca 0.05 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 3g6l s PHE 74 Cb -0.08 -1.03 -0.07 0.00 -0.57 0.00 0.00 43.02 41.27 3g6l s PHE 74 CO 0.01 0.42 0.86 -1.64 -0.10 0.00 0.00 175.22 174.77 3g6l s MET 75 N -2.70 3.84 0.48 0.44 -1.94 0.29 -4.34 119.30 115.36 3g6l s MET 75 Ca 0.18 0.66 0.08 0.00 -1.71 0.00 0.00 55.69 54.90 3g6l s MET 75 Cb -0.07 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.51 3g6l s MET 75 CO 0.08 -0.14 0.55 1.21 -0.01 0.00 0.00 175.02 176.71 3g6l s ASN 76 N -3.17 5.18 -0.09 3.03 3.84 -0.38 -1.99 114.94 121.37 3g6l s ASN 76 Ca 0.54 -0.75 -0.13 0.00 0.21 0.00 0.00 52.86 52.73 3g6l s ASN 76 Cb -0.10 -0.22 0.03 0.00 -0.55 0.00 0.00 41.25 40.41 3g6l s ASN 76 CO 0.32 -0.94 0.34 -1.48 -2.79 0.00 0.00 177.10 172.55 3g6l s LEU 77 N -4.36 0.72 0.39 3.21 2.34 -1.26 -1.38 118.68 118.34 3g6l s LEU 77 Ca 0.52 0.49 -0.07 0.00 0.06 0.00 0.00 54.13 55.13 3g6l s LEU 77 Cb -0.06 1.23 -0.05 0.00 -0.56 0.00 0.00 46.19 46.75 3g6l s LEU 77 CO 0.31 -0.24 0.70 -0.13 -1.06 0.00 0.00 176.35 175.94 3g6l s ARG 78 N -0.35 3.66 0.54 1.48 0.52 0.61 -4.73 118.95 120.68 3g6l s ARG 78 Ca -0.05 0.22 0.32 0.00 -0.52 0.00 0.00 55.73 55.70 3g6l s ARG 78 Cb -0.03 -2.47 1.49 0.00 0.52 0.00 0.00 34.95 34.45 3g6l s ARG 78 CO 0.02 -0.00 1.88 0.28 0.02 0.00 0.00 175.30 177.50 3g6l h VAL 79 N 0.91 0.54 -0.05 3.52 2.07 -1.89 -0.18 116.25 121.16 3g6l h VAL 79 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3g6l h VAL 79 Cb 1.19 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3g6l h VAL 79 CO 0.64 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.33 3g6l n ASP 80 N -4.24 0.70 0.00 0.57 5.75 -1.26 -2.78 116.55 115.29 3g6l n ASP 80 Ca 0.18 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 3g6l n ASP 80 Cb 0.97 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.02 3g6l n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g6l n GLY 81 N 0.97 0.21 3.64 6.12 0.00 -0.08 -4.32 105.19 111.73 3g6l n GLY 81 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3g6l n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6l s THR 82 N -2.04 3.66 0.07 2.61 2.01 -1.24 -3.02 115.64 117.68 3g6l s THR 82 Ca 0.00 0.77 -0.25 0.00 0.31 0.00 0.00 61.69 62.52 3g6l s THR 82 Cb 0.00 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 3g6l s THR 82 CO 0.00 -0.19 0.75 -0.69 -0.69 0.00 0.00 174.62 173.80 3g6l s VAL 83 N 4.78 4.67 0.05 3.82 1.01 -1.26 -0.29 120.40 133.18 3g6l s VAL 83 Ca 0.72 1.61 -0.09 0.00 0.00 0.00 0.00 61.98 64.22 3g6l s VAL 83 Cb -0.28 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3g6l s VAL 83 CO 0.29 0.41 0.18 -0.72 0.00 0.00 0.00 175.10 175.26 3g6l s TYR 84 N -0.32 0.09 0.16 5.22 -0.85 -0.48 -4.86 117.35 116.31 3g6l s TYR 84 Ca 0.37 -0.35 -0.32 0.00 -0.52 0.00 0.00 57.07 56.26 3g6l s TYR 84 Cb -0.21 -0.05 -0.10 0.00 0.38 0.00 0.00 41.96 41.98 3g6l s TYR 84 CO 0.23 -0.44 1.59 0.45 -1.52 0.00 0.00 175.55 175.86 3g6l s SER 85 N -2.20 6.57 0.00 -0.18 0.15 -1.26 -1.25 113.70 115.53 3g6l s SER 85 Ca -0.04 2.63 0.30 0.00 0.70 0.00 0.00 55.95 59.55 3g6l s SER 85 Cb -0.00 -2.59 1.49 0.00 -1.71 0.00 0.00 66.02 63.20 3g6l s SER 85 CO -0.05 -0.84 2.01 0.61 1.20 0.00 0.00 173.24 176.16 3g6l n GLY 86 N 3.79 -0.95 2.96 9.45 0.00 -1.26 -4.65 105.19 114.52 3g6l n GLY 86 Ca 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.94 3g6l n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g6l s ASP 87 N -2.31 -0.90 0.41 1.61 -1.08 -1.26 -5.03 116.67 108.11 3g6l s ASP 87 Ca 0.35 -0.50 0.22 0.00 -0.52 0.00 0.00 52.55 52.10 3g6l s ASP 87 Cb 0.21 1.16 0.74 0.00 -1.46 0.00 0.00 42.92 43.57 3g6l s ASP 87 CO 0.43 -0.09 1.75 0.71 0.52 0.00 0.00 175.17 178.48 3g6l h THR 88 N 4.15 0.57 -0.41 1.71 1.35 -1.98 -1.70 112.91 116.60 3g6l h THR 88 Ca 0.01 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.53 3g6l h THR 88 Cb 1.20 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 3g6l h THR 88 CO 0.00 0.25 0.10 0.22 -0.25 0.00 0.00 175.52 175.85 3g6l h TYR 89 N 0.00 0.69 -0.02 4.73 3.20 -1.95 0.81 116.97 124.43 3g6l h TYR 89 Ca -0.00 -0.08 -0.16 0.00 3.14 0.00 0.00 58.73 61.62 3g6l h TYR 89 Cb 0.87 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.96 3g6l h TYR 89 CO 0.00 0.66 -0.63 0.00 -1.64 0.00 0.00 178.16 176.55 3g6l h ALA 90 N 0.95 0.11 -0.39 1.82 0.00 -1.82 0.01 119.26 119.94 3g6l h ALA 90 Ca 0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3g6l h ALA 90 Cb 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3g6l h ALA 90 CO 0.00 0.39 -0.05 -0.44 0.00 0.00 0.00 179.25 179.15 3g6l h ASP 91 N -0.01 0.72 0.00 0.00 3.32 -1.33 0.14 116.42 119.26 3g6l h ASP 91 Ca -0.07 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3g6l h ASP 91 Cb 1.32 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3g6l h ASP 91 CO 0.12 0.89 -0.01 0.18 -1.72 0.00 0.00 179.24 178.70 3g6l n LEU 92 N -4.40 0.00 -0.02 1.55 4.77 0.24 -1.47 117.00 117.67 3g6l n LEU 92 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3g6l n LEU 92 Cb 0.32 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3g6l n LEU 92 CO 0.41 0.00 -0.64 -0.62 -1.33 0.00 0.00 177.39 175.21 3g6l n GLU 93 N -0.06 1.66 -1.81 3.23 1.02 -0.91 -1.01 120.64 122.77 3g6l n GLU 93 Ca 0.00 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 3g6l n GLU 93 Cb 0.00 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3g6l n GLU 93 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3g6l s LYS 94 N -2.30 4.16 -0.26 3.49 2.20 -0.06 -4.57 119.74 122.41 3g6l s LYS 94 Ca -0.03 2.50 -0.13 0.00 -0.36 0.00 0.00 55.97 57.95 3g6l s LYS 94 Cb 0.03 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 3g6l s LYS 94 CO 0.26 -0.74 0.28 -1.01 -0.36 0.00 0.00 175.35 173.78 3g6l s HIS 95 N 1.88 3.26 0.77 4.03 3.76 -1.26 0.02 115.29 127.75 3g6l s HIS 95 Ca 0.75 0.31 -0.09 0.00 -0.15 0.00 0.00 55.06 55.88 3g6l s HIS 95 Cb -0.46 -2.45 0.09 0.00 1.11 0.00 0.00 32.58 30.87 3g6l s HIS 95 CO 0.33 -0.14 1.10 0.71 -0.85 0.00 0.00 174.74 175.90 3g6l s TYR 96 N 1.72 2.65 0.52 1.40 2.02 -1.26 -4.92 117.35 119.48 3g6l s TYR 96 Ca 0.12 0.46 0.37 0.00 -0.37 0.00 0.00 57.07 57.65 3g6l s TYR 96 Cb -0.15 -3.39 1.98 0.00 -0.40 0.00 0.00 41.96 39.99 3g6l s TYR 96 CO 0.09 -1.70 2.24 0.66 -1.57 0.00 0.00 175.55 175.26 3g6l h SER 97 N -0.86 0.00 1.33 2.29 4.64 -2.05 -0.82 113.55 118.08 3g6l h SER 97 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3g6l h SER 97 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3g6l h SER 97 CO 0.57 0.02 0.00 -2.24 -0.87 0.00 0.00 176.83 174.32 3g6l h ASP 98 N 0.00 0.00 -3.30 4.97 2.03 -2.03 -3.46 116.42 114.62 3g6l h ASP 98 Ca -0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3g6l h ASP 98 Cb 0.15 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.59 3g6l h ASP 98 CO 0.00 0.00 -0.03 -1.81 -1.03 0.00 0.00 179.24 176.37 3g6l s ASP 99 N -5.39 6.93 0.25 4.15 1.01 -0.31 -5.08 116.67 118.22 3g6l s ASP 99 Ca 0.05 1.11 -0.05 0.00 0.71 0.00 0.00 52.55 54.36 3g6l s ASP 99 Cb 0.08 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 3g6l s ASP 99 CO 0.56 0.08 0.51 -0.55 0.21 0.00 0.00 175.17 175.98 3g6l s SER 100 N -0.04 6.47 0.00 0.27 0.15 -1.26 -4.82 113.70 114.47 3g6l s SER 100 Ca 0.30 0.69 0.24 0.00 0.70 0.00 0.00 55.95 57.89 3g6l s SER 100 Cb -0.18 -2.13 0.40 0.00 -1.71 0.00 0.00 66.02 62.39 3g6l s SER 100 CO 0.16 -0.13 1.34 0.79 1.20 0.00 0.00 173.24 176.60 3g6l n TRP 101 N -0.65 0.00 -1.75 3.44 7.02 -1.26 -4.39 117.44 119.86 3g6l n TRP 101 Ca -0.02 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.52 3g6l n TRP 101 Cb 0.53 -0.20 0.11 0.00 -2.42 0.00 0.00 31.31 29.33 3g6l n TRP 101 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3g6l n ASN 102 N -1.42 1.39 -4.46 -0.99 5.03 -1.26 -5.07 115.26 108.48 3g6l n ASN 102 Ca 0.06 -2.89 -0.40 0.00 0.87 0.00 0.00 54.58 52.21 3g6l n ASN 102 Cb 0.34 -0.39 0.02 0.00 -1.02 0.00 0.00 39.78 38.73 3g6l n ASN 102 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3g6l n ASP 103 N -0.61 -0.96 -4.68 6.41 8.00 -1.26 -4.91 116.55 118.54 3g6l n ASP 103 Ca 0.12 0.84 -0.42 0.00 0.71 0.00 0.00 54.79 56.04 3g6l n ASP 103 Cb 0.79 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 3g6l n ASP 103 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3g6l s ILE 104 N -1.58 3.85 0.00 0.53 1.10 -1.26 -4.87 121.20 118.98 3g6l s ILE 104 Ca 0.65 1.18 0.00 0.00 -0.51 0.00 0.00 60.65 61.96 3g6l s ILE 104 Cb -0.54 -3.76 0.00 0.00 0.15 0.00 0.00 42.46 38.31 3g6l s ILE 104 CO 0.57 -0.03 0.00 0.61 -2.11 0.00 0.00 174.94 173.98 3g6l n GLY 105 N 3.67 -1.20 3.52 1.50 0.00 -1.26 -4.85 105.19 106.56 3g6l n GLY 105 Ca 0.14 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 3g6l n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6l s THR 106 N 0.00 4.17 0.06 2.61 2.01 -1.26 -5.01 115.64 118.22 3g6l s THR 106 Ca 0.00 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.76 3g6l s THR 106 Cb 0.00 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3g6l s THR 106 CO 0.00 0.46 -0.06 0.20 -0.69 0.00 0.00 174.62 174.53 3g6l s ASN 107 N 0.57 0.78 -0.05 3.53 0.01 -1.26 -0.12 114.94 118.41 3g6l s ASN 107 Ca -0.00 -0.77 -0.03 0.00 -0.71 0.00 0.00 52.86 51.34 3g6l s ASN 107 Cb -0.14 0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 3g6l s ASN 107 CO 0.02 -0.37 0.12 0.00 -1.51 0.00 0.00 177.10 175.36 3g6l s ALA 108 N -2.57 3.76 0.00 0.60 0.00 -1.26 -4.99 121.76 117.30 3g6l s ALA 108 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3g6l s ALA 108 Cb -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3g6l s ALA 108 CO -0.03 0.68 0.00 0.66 0.00 0.00 0.00 175.76 177.07 3g6l n TYR 109 N 1.43 0.00 -2.19 0.00 4.01 -0.18 -4.59 117.16 115.64 3g6l n TYR 109 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3g6l n TYR 109 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3g6l n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g6l n GLY 110 N 1.32 0.76 0.25 2.72 0.00 0.10 -1.43 105.19 108.91 3g6l n GLY 110 Ca 0.00 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.33 3g6l n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6l h VAL 112 N 0.00 0.57 -0.51 0.00 2.07 -1.12 -0.25 116.25 117.01 3g6l h VAL 112 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 3g6l h VAL 112 Cb 0.40 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3g6l h VAL 112 CO 0.02 0.00 -0.03 0.50 0.02 0.00 0.00 177.57 178.08 3g6l h LYS 113 N -0.47 0.87 -0.61 1.57 3.64 -1.10 -1.76 116.57 118.71 3g6l h LYS 113 Ca -0.02 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 3g6l h LYS 113 Cb 0.41 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3g6l h LYS 113 CO -0.01 0.88 0.14 1.96 -2.27 0.00 0.00 179.45 180.15 3g6l h GLN 114 N 0.80 0.95 -0.00 1.90 1.08 -1.24 -1.29 115.11 117.31 3g6l h GLN 114 Ca 0.15 -0.21 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 3g6l h GLN 114 Cb 0.52 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3g6l h GLN 114 CO 0.03 0.86 -0.79 -0.07 -0.95 0.00 0.00 178.83 177.91 3g6l h LEU 115 N 0.91 0.02 -0.40 1.46 3.38 -0.89 -3.01 115.31 116.78 3g6l h LEU 115 Ca 0.19 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3g6l h LEU 115 Cb 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3g6l h LEU 115 CO 0.00 0.80 -0.41 0.22 0.09 0.00 0.00 178.44 179.14 3g6l h TYR 116 N 0.01 1.09 -0.67 1.13 3.20 -0.46 -1.86 116.97 119.42 3g6l h TYR 116 Ca -0.01 -0.34 0.12 0.00 3.14 0.00 0.00 58.73 61.64 3g6l h TYR 116 Cb 1.39 -0.23 -0.09 0.00 1.54 0.00 0.00 36.73 39.34 3g6l h TYR 116 CO 0.00 1.16 0.22 -0.22 -1.64 0.00 0.00 178.16 177.68 3g6l h LYS 117 N 0.73 0.36 -0.54 1.82 3.64 -1.25 -1.80 116.57 119.53 3g6l h LYS 117 Ca 0.05 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3g6l h LYS 117 Cb 1.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3g6l h LYS 117 CO 0.10 0.24 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.39 3g6l h LEU 118 N 0.37 0.98 -0.50 5.20 3.38 -1.36 -2.95 115.31 120.42 3g6l h LEU 118 Ca 0.35 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3g6l h LEU 118 Cb 0.51 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3g6l h LEU 118 CO -0.38 1.08 0.01 0.11 0.09 0.00 0.00 178.44 179.34 3g6l h LYS 119 N 0.86 0.12 -0.97 1.13 1.57 -0.88 0.17 116.57 118.57 3g6l h LYS 119 Ca 0.15 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3g6l h LYS 119 Cb 0.61 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3g6l h LYS 119 CO 0.04 0.08 0.62 0.87 -0.57 0.00 0.00 179.45 180.49 3g6l h LYS 120 N 0.13 1.11 0.00 3.15 1.57 -1.18 -2.97 116.57 118.38 3g6l h LYS 120 Ca 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3g6l h LYS 120 Cb 0.38 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3g6l h LYS 120 CO -0.41 0.74 -0.54 0.00 -0.57 0.00 0.00 179.45 178.66 3g6l h ALA 121 N 1.44 0.73 -2.97 3.86 0.00 -1.32 -3.42 119.26 117.57 3g6l h ALA 121 Ca 0.41 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.74 3g6l h ALA 121 Cb 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.53 3g6l h ALA 121 CO -0.17 0.00 -0.77 -0.80 0.00 0.00 0.00 179.25 177.52 3g6l s ASN 122 N -5.74 3.70 0.53 0.00 0.01 0.01 -5.01 114.94 108.44 3g6l s ASN 122 Ca 0.03 -1.90 0.32 0.00 -0.71 0.00 0.00 52.86 50.60 3g6l s ASN 122 Cb 0.07 -0.75 1.28 0.00 0.41 0.00 0.00 41.25 42.26 3g6l s ASN 122 CO 0.73 -0.37 1.95 0.03 -1.51 0.00 0.00 177.10 177.94 3g6l h ARG 123 N 7.65 0.00 -0.04 -0.60 2.47 -1.82 -0.86 114.38 121.18 3g6l h ARG 123 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3g6l h ARG 123 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3g6l h ARG 123 CO 0.44 0.04 0.00 0.43 0.56 0.00 0.00 179.97 181.44 3g6l n SER 124 N -3.16 0.46 -4.40 7.04 7.64 -1.26 0.32 113.62 120.25 3g6l n SER 124 Ca 0.00 -1.46 -0.44 0.00 1.01 0.00 0.00 58.87 57.98 3g6l n SER 124 Cb 0.33 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.45 3g6l n SER 124 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3g6l s LEU 125 N -1.62 5.24 -0.03 -3.43 2.96 -0.33 -4.38 118.68 117.10 3g6l s LEU 125 Ca 0.31 -1.21 -0.16 0.00 -0.22 0.00 0.00 54.13 52.84 3g6l s LEU 125 Cb 0.15 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 3g6l s LEU 125 CO 0.24 -0.99 0.45 -0.54 -1.32 0.00 0.00 176.35 174.19 3g6l s LYS 126 N 2.58 4.10 -0.24 1.98 3.01 0.63 -4.72 119.74 127.08 3g6l s LYS 126 Ca 0.12 0.46 -0.07 0.00 -1.01 0.00 0.00 55.97 55.48 3g6l s LYS 126 Cb -0.22 -3.29 -0.03 0.00 -1.01 0.00 0.00 37.83 33.28 3g6l s LYS 126 CO 0.09 0.51 0.05 0.42 0.51 0.00 0.00 175.35 176.93 3g6l s ILE 127 N -0.53 4.20 -0.14 2.17 -1.09 -1.26 -0.53 121.20 124.02 3g6l s ILE 127 Ca 0.25 -0.21 -0.05 0.00 -2.23 0.00 0.00 60.65 58.41 3g6l s ILE 127 Cb -0.17 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 3g6l s ILE 127 CO 0.13 0.36 0.04 -0.04 -1.23 0.00 0.00 174.94 174.20 3g6l s MET 128 N 1.52 3.51 -0.60 2.79 -1.94 0.44 -0.07 119.30 124.95 3g6l s MET 128 Ca 0.06 -0.36 -0.22 0.00 -1.71 0.00 0.00 55.69 53.46 3g6l s MET 128 Cb -0.15 -3.02 0.06 0.00 2.01 0.00 0.00 34.83 33.73 3g6l s MET 128 CO 0.03 0.50 0.90 -1.17 -0.01 0.00 0.00 175.02 175.26 3g6l s LEU 129 N -0.28 4.45 -0.16 -0.03 2.96 -0.02 -0.74 118.68 124.84 3g6l s LEU 129 Ca 0.08 -0.83 -0.23 0.00 -0.22 0.00 0.00 54.13 52.92 3g6l s LEU 129 Cb -0.12 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 3g6l s LEU 129 CO 0.02 -1.29 0.72 -0.44 -1.32 0.00 0.00 176.35 174.04 3g6l s SER 130 N 3.32 6.84 -0.13 3.68 0.01 0.40 -1.34 113.70 126.48 3g6l s SER 130 Ca 0.23 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.52 3g6l s SER 130 Cb -0.16 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 3g6l s SER 130 CO 0.13 -0.29 -0.15 -0.63 0.41 0.00 0.00 173.24 172.71 3g6l s ILE 131 N 1.81 2.90 0.00 1.44 1.01 -0.36 -0.55 121.20 127.45 3g6l s ILE 131 Ca 0.34 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3g6l s ILE 131 Cb -0.16 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.10 3g6l s ILE 131 CO 0.12 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.20 3g6l n GLY 132 N 3.56 0.87 0.00 6.18 0.00 -0.84 -0.10 105.19 114.85 3g6l n GLY 132 Ca -0.18 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3g6l n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6l n GLY 133 N 0.00 1.14 0.38 -0.02 0.00 0.34 -4.15 105.19 102.87 3g6l n GLY 133 Ca 0.00 -2.06 0.17 0.00 0.00 0.00 0.00 46.02 44.14 3g6l n GLY 133 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3g6l h TRP 134 N 0.00 0.81 0.03 1.61 2.91 -1.89 -2.92 115.95 116.51 3g6l h TRP 134 Ca 0.00 0.03 -0.28 0.00 1.13 0.00 0.00 58.89 59.76 3g6l h TRP 134 Cb 0.00 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.37 3g6l h TRP 134 CO 0.00 0.16 -1.56 1.15 -1.03 0.00 0.00 178.44 177.17 3g6l h THR 135 N 0.57 1.06 -1.05 2.65 2.02 -1.93 -3.38 112.91 112.85 3g6l h THR 135 Ca 0.55 -2.83 -0.62 0.00 0.77 0.00 0.00 66.41 64.28 3g6l h THR 135 Cb 1.13 2.58 -0.37 0.00 -1.74 0.00 0.00 68.15 69.75 3g6l h THR 135 CO -0.30 0.68 -0.06 0.79 0.37 0.00 0.00 175.52 177.00 3g6l n TRP 136 N -3.22 3.02 0.68 3.16 8.01 -1.11 -4.71 117.44 123.27 3g6l n TRP 136 Ca -0.15 -2.62 0.08 0.00 -1.31 0.00 0.00 57.50 53.51 3g6l n TRP 136 Cb 1.03 -0.76 0.07 0.00 -2.01 0.00 0.00 31.31 29.63 3g6l n TRP 136 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 3g6l n SER 137 N -0.74 2.36 0.25 -0.99 7.64 -1.17 -4.41 113.62 116.55 3g6l n SER 137 Ca 0.51 -1.68 0.14 0.00 1.01 0.00 0.00 58.87 58.85 3g6l n SER 137 Cb 0.76 0.01 0.54 0.00 -1.01 0.00 0.00 64.21 64.51 3g6l n SER 137 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3g6l h THR 138 N 3.20 0.18 -0.01 0.44 1.35 -1.90 -2.67 112.91 113.49 3g6l h THR 138 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3g6l h THR 138 Cb 0.68 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3g6l h THR 138 CO 0.00 0.07 -0.14 0.59 -0.25 0.00 0.00 175.52 175.79 3g6l n ASN 139 N -3.19 1.55 -0.10 5.36 5.03 -1.26 -4.54 115.26 118.11 3g6l n ASN 139 Ca 0.01 -1.33 -0.10 0.00 0.87 0.00 0.00 54.58 54.03 3g6l n ASN 139 Cb 0.38 0.10 -0.02 0.00 -1.02 0.00 0.00 39.78 39.21 3g6l n ASN 139 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 3g6l h PHE 140 N 2.21 0.46 -0.57 3.10 0.05 -1.79 -0.52 116.94 119.88 3g6l h PHE 140 Ca 0.00 -0.03 0.10 0.00 3.82 0.00 0.00 57.97 61.87 3g6l h PHE 140 Cb 0.58 -0.14 -0.08 0.00 2.00 0.00 0.00 35.95 38.31 3g6l h PHE 140 CO 0.00 0.43 0.12 -1.35 -0.18 0.00 0.00 178.31 177.32 3g6l h PRO 141 N 0.37 0.24 -0.31 1.51 0.11 -1.80 0.61 132.00 132.73 3g6l h PRO 141 Ca 0.11 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.05 3g6l h PRO 141 Cb 0.15 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3g6l h PRO 141 CO -0.01 0.16 -0.39 0.00 -0.21 0.00 0.00 178.00 177.55 3g6l h ALA 142 N 1.46 0.47 -0.37 -0.75 0.00 -1.82 -2.51 119.26 115.73 3g6l h ALA 142 Ca 0.30 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3g6l h ALA 142 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3g6l h ALA 142 CO -0.38 0.57 0.25 0.00 0.00 0.00 0.00 179.25 179.68 3g6l h ALA 143 N 0.71 1.83 -0.01 0.00 0.00 -0.05 -2.03 119.26 119.71 3g6l h ALA 143 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g6l h ALA 143 Cb 0.98 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3g6l h ALA 143 CO 0.09 0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.33 3g6l n ALA 144 N -2.50 2.85 0.10 0.00 0.00 0.11 -3.15 120.51 117.92 3g6l n ALA 144 Ca 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 3g6l n ALA 144 Cb 0.13 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.49 3g6l n ALA 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g6l h SER 145 N 1.73 0.15 -4.38 0.00 4.64 -0.92 -3.45 113.55 111.31 3g6l h SER 145 Ca 0.00 -0.11 -0.28 0.00 -0.47 0.00 0.00 61.79 60.94 3g6l h SER 145 Cb 0.51 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 62.41 3g6l h SER 145 CO 0.00 0.85 -0.69 0.42 -0.87 0.00 0.00 176.83 176.54 3g6l s THR 146 N -3.37 0.83 0.07 2.95 -4.23 -1.26 -5.03 115.64 105.60 3g6l s THR 146 Ca -0.02 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 3g6l s THR 146 Cb 0.11 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 3g6l s THR 146 CO 0.80 -0.70 0.75 1.21 -0.54 0.00 0.00 174.62 176.15 3g6l n GLU 147 N -0.16 -0.19 -0.05 3.99 0.00 -1.26 -1.65 120.64 121.32 3g6l n GLU 147 Ca -0.10 0.74 -0.12 0.00 0.00 0.00 0.00 57.16 57.69 3g6l n GLU 147 Cb 0.62 -1.09 -0.06 0.00 0.00 0.00 0.00 31.44 30.91 3g6l n GLU 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3g6l h ALA 148 N 0.13 0.21 -0.26 4.31 0.00 -1.97 -1.93 119.26 119.75 3g6l h ALA 148 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3g6l h ALA 148 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3g6l h ALA 148 CO -0.41 -0.10 -0.24 1.79 0.00 0.00 0.00 179.25 180.29 3g6l h THR 149 N 0.03 1.26 -0.04 0.00 1.35 -1.72 -0.61 112.91 113.18 3g6l h THR 149 Ca 0.05 -1.26 -0.21 0.00 -0.55 0.00 0.00 66.41 64.44 3g6l h THR 149 Cb 0.35 1.33 0.02 0.00 -1.73 0.00 0.00 68.15 68.11 3g6l h THR 149 CO 0.01 0.40 -0.81 0.03 -0.25 0.00 0.00 175.52 174.90 3g6l h ARG 150 N 0.44 0.62 -0.61 4.72 3.08 -1.26 -1.28 114.38 120.09 3g6l h ARG 150 Ca 0.07 -0.61 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 3g6l h ARG 150 Cb 0.66 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 3g6l h ARG 150 CO 0.05 1.22 0.37 0.00 -1.07 0.00 0.00 179.97 180.53 3g6l h ALA 151 N 0.41 0.77 -0.46 0.04 0.00 -1.18 -0.88 119.26 117.97 3g6l h ALA 151 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3g6l h ALA 151 Cb 1.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3g6l h ALA 151 CO 0.16 0.26 0.30 1.15 0.00 0.00 0.00 179.25 181.11 3g6l h THR 152 N 0.82 1.10 0.10 0.00 2.02 -1.06 -0.58 112.91 115.32 3g6l h THR 152 Ca 0.22 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.21 3g6l h THR 152 Cb -0.02 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3g6l h THR 152 CO -0.04 0.11 -0.27 0.15 0.37 0.00 0.00 175.52 175.84 3g6l h PHE 153 N 0.61 -0.72 -0.27 3.16 3.57 -0.84 0.78 116.94 123.22 3g6l h PHE 153 Ca 0.17 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3g6l h PHE 153 Cb -0.05 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3g6l h PHE 153 CO -0.05 -0.37 -0.02 0.00 -2.23 0.00 0.00 178.31 175.64 3g6l h ALA 154 N 0.27 0.22 -0.01 2.41 0.00 -0.97 -0.33 119.26 120.85 3g6l h ALA 154 Ca 0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g6l h ALA 154 Cb 0.51 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3g6l h ALA 154 CO -0.17 -0.43 0.00 0.87 0.00 0.00 0.00 179.25 179.52 3g6l h LYS 155 N 0.05 0.02 -0.70 0.00 1.57 -0.78 -1.39 116.57 115.35 3g6l h LYS 155 Ca 0.13 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3g6l h LYS 155 Cb 0.18 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3g6l h LYS 155 CO -0.24 0.23 0.26 1.79 -0.57 0.00 0.00 179.45 180.92 3g6l h THR 156 N -0.20 1.24 -0.19 -0.16 1.35 -0.73 -0.61 112.91 113.61 3g6l h THR 156 Ca 0.00 -0.79 -0.09 0.00 -0.55 0.00 0.00 66.41 64.98 3g6l h THR 156 Cb 0.22 0.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 3g6l h THR 156 CO -0.00 0.32 -0.24 0.00 -0.25 0.00 0.00 175.52 175.35 3g6l h ALA 157 N 1.26 0.29 -0.27 6.62 0.00 -0.74 -2.53 119.26 123.90 3g6l h ALA 157 Ca 0.23 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3g6l h ALA 157 Cb 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3g6l h ALA 157 CO -0.02 0.26 -0.15 0.28 0.00 0.00 0.00 179.25 179.62 3g6l h VAL 158 N 0.17 1.23 -0.19 0.00 2.07 -1.23 -2.03 116.25 116.27 3g6l h VAL 158 Ca 0.03 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.55 3g6l h VAL 158 Cb 0.80 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3g6l h VAL 158 CO 0.06 0.34 -0.12 -0.08 0.02 0.00 0.00 177.57 177.79 3g6l h GLU 159 N 0.42 -0.11 0.21 1.57 4.81 -0.76 0.11 114.58 120.84 3g6l h GLU 159 Ca 0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3g6l h GLU 159 Cb 0.52 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3g6l h GLU 159 CO 0.03 -0.07 -0.10 0.74 -0.73 0.00 0.00 179.01 178.88 3g6l h PHE 160 N -0.11 -0.26 -0.56 0.92 0.04 -1.19 -1.10 116.94 114.68 3g6l h PHE 160 Ca 0.11 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.99 3g6l h PHE 160 Cb 0.28 0.09 -0.10 0.00 2.20 0.00 0.00 35.95 38.42 3g6l h PHE 160 CO -0.27 -0.15 -0.05 1.98 -0.60 0.00 0.00 178.31 179.22 3g6l h MET 161 N -0.30 0.07 0.00 1.51 4.05 -0.88 0.25 114.93 119.63 3g6l h MET 161 Ca -0.03 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 3g6l h MET 161 Cb 0.23 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 3g6l h MET 161 CO 0.05 0.05 -0.25 1.57 0.23 0.00 0.00 176.91 178.55 3g6l h LYS 162 N 0.07 0.00 0.22 0.39 5.09 -0.69 -1.01 116.57 120.64 3g6l h LYS 162 Ca 0.28 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.67 3g6l h LYS 162 Cb 0.44 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.79 3g6l h LYS 162 CO -0.51 0.25 -1.63 -0.44 -2.09 0.00 0.00 179.45 175.03 3g6l h ASP 163 N 0.00 0.71 0.65 7.07 3.32 -0.38 -3.34 116.42 124.46 3g6l h ASP 163 Ca -0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 3g6l h ASP 163 Cb 0.97 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3g6l h ASP 163 CO 0.03 1.75 -0.44 0.79 -1.72 0.00 0.00 179.24 179.65 3g6l n TRP 164 N -3.64 0.11 -2.71 4.55 7.02 0.81 -4.59 117.44 118.99 3g6l n TRP 164 Ca -0.21 0.03 -0.05 0.00 -1.02 0.00 0.00 57.50 56.25 3g6l n TRP 164 Cb 1.09 -0.37 0.02 0.00 -2.42 0.00 0.00 31.31 29.63 3g6l n TRP 164 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3g6l n GLY 165 N 1.47 0.62 3.99 6.99 0.00 -0.69 -4.88 105.19 112.69 3g6l n GLY 165 Ca 0.05 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 3g6l n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g6l s PHE 166 N -3.07 2.90 -0.97 1.61 0.40 -0.47 -4.93 117.98 113.46 3g6l s PHE 166 Ca 0.12 -0.20 0.13 0.00 -0.60 0.00 0.00 56.93 56.38 3g6l s PHE 166 Cb -0.05 -2.44 -0.06 0.00 0.51 0.00 0.00 43.02 40.99 3g6l s PHE 166 CO 0.15 -0.50 0.67 -0.25 0.70 0.00 0.00 175.22 175.99 3g6l n ASP 167 N -1.99 1.10 0.00 1.36 8.00 0.90 -4.76 116.55 121.16 3g6l n ASP 167 Ca 0.06 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3g6l n ASP 167 Cb 0.59 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 3g6l n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g6l n GLY 168 N 1.14 -1.29 3.17 0.44 0.00 -1.17 -0.76 105.19 106.72 3g6l n GLY 168 Ca 0.04 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 3g6l n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g6l s ILE 169 N -2.76 1.49 -0.14 -0.61 1.01 -0.45 -0.84 121.20 118.89 3g6l s ILE 169 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3g6l s ILE 169 Cb 0.00 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.23 3g6l s ILE 169 CO 0.00 0.42 -0.20 -0.62 0.00 0.00 0.00 174.94 174.54 3g6l s ASP 170 N -0.28 2.99 -0.22 3.58 2.15 -0.45 -1.18 116.67 123.26 3g6l s ASP 170 Ca 0.03 -0.58 -0.06 0.00 0.43 0.00 0.00 52.55 52.37 3g6l s ASP 170 Cb -0.09 -1.38 -0.02 0.00 -0.30 0.00 0.00 42.92 41.12 3g6l s ASP 170 CO 0.00 0.04 0.03 -0.69 -0.17 0.00 0.00 175.17 174.39 3g6l s VAL 171 N 0.98 4.06 -0.67 1.11 1.01 0.91 -1.23 120.40 126.59 3g6l s VAL 171 Ca -0.04 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3g6l s VAL 171 Cb -0.15 -2.87 0.24 0.00 0.00 0.00 0.00 36.38 33.61 3g6l s VAL 171 CO -0.05 0.39 0.75 0.47 0.00 0.00 0.00 175.10 176.66 3g6l n ASP 172 N 4.57 3.79 -4.58 3.32 9.92 0.86 -2.67 116.55 131.75 3g6l n ASP 172 Ca -0.17 -3.42 -0.43 0.00 -0.53 0.00 0.00 54.79 50.25 3g6l n ASP 172 Cb 0.51 -0.71 -0.04 0.00 -0.64 0.00 0.00 41.12 40.25 3g6l n ASP 172 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 3g6l s TRP 173 N -2.36 3.02 -0.53 1.24 -0.11 -1.26 -0.51 118.94 118.42 3g6l s TRP 173 Ca 0.38 0.57 0.04 0.00 1.22 0.00 0.00 56.10 58.30 3g6l s TRP 173 Cb 0.12 -3.74 0.14 0.00 -1.50 0.00 0.00 33.47 28.50 3g6l s TRP 173 CO -0.03 -0.92 0.32 -1.21 -4.62 0.00 0.00 176.95 170.49 3g6l s GLU 174 N 3.52 1.80 -0.04 5.86 2.02 -1.26 -4.34 118.70 126.26 3g6l s GLU 174 Ca 0.36 -2.57 -0.17 0.00 0.02 0.00 0.00 54.97 52.61 3g6l s GLU 174 Cb -0.11 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 31.25 3g6l s GLU 174 CO 0.22 -1.19 0.38 0.71 0.02 0.00 0.00 175.26 175.40 3g6l s TYR 175 N -0.35 -0.30 0.27 1.61 2.02 -1.26 -4.77 117.35 114.56 3g6l s TYR 175 Ca 0.20 0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 57.14 3g6l s TYR 175 Cb -0.18 0.15 -0.13 0.00 -0.40 0.00 0.00 41.96 41.40 3g6l s TYR 175 CO -0.05 -0.39 1.37 -2.30 -1.57 0.00 0.00 175.55 172.61 3g6l n PRO 176 N 1.51 2.06 -0.06 -1.71 -0.02 -1.26 -4.92 135.00 130.59 3g6l n PRO 176 Ca -0.20 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3g6l n PRO 176 Cb 0.56 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3g6l n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6l n ALA 177 N 1.49 1.92 -2.71 3.55 0.00 -1.26 -4.91 120.51 118.58 3g6l n ALA 177 Ca 0.10 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.81 3g6l n ALA 177 Cb 0.33 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 3g6l n ALA 177 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g6l s SER 178 N -5.61 5.91 0.30 0.00 1.04 -1.26 -5.00 113.70 109.09 3g6l s SER 178 Ca -0.17 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.13 3g6l s SER 178 Cb 0.05 -1.45 0.60 0.00 0.10 0.00 0.00 66.02 65.33 3g6l s SER 178 CO 0.26 -0.22 1.85 -0.08 0.98 0.00 0.00 173.24 176.03 3g6l h GLU 179 N 1.15 0.92 0.22 4.02 4.57 -1.96 -1.28 114.58 122.21 3g6l h GLU 179 Ca -0.48 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 57.65 3g6l h GLU 179 Cb 1.24 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3g6l h GLU 179 CO 0.58 0.61 -0.27 1.15 -1.18 0.00 0.00 179.01 179.90 3g6l h THR 180 N 0.95 0.42 -0.72 0.32 2.02 -1.97 -1.65 112.91 112.28 3g6l h THR 180 Ca 0.47 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.81 3g6l h THR 180 Cb 0.49 0.42 -0.12 0.00 -1.74 0.00 0.00 68.15 67.20 3g6l h THR 180 CO -0.23 0.00 0.02 0.44 0.37 0.00 0.00 175.52 176.12 3g6l h ASP 181 N -0.54 -0.29 -0.68 4.18 3.32 -1.84 -0.40 116.42 120.18 3g6l h ASP 181 Ca 0.00 0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3g6l h ASP 181 Cb 0.52 0.31 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 3g6l h ASP 181 CO -0.09 -0.15 0.22 0.00 -1.72 0.00 0.00 179.24 177.50 3g6l h ALA 182 N 1.66 0.88 -0.27 3.45 0.00 -0.76 0.12 119.26 124.34 3g6l h ALA 182 Ca 0.39 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3g6l h ALA 182 Cb 0.67 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3g6l h ALA 182 CO -0.61 0.55 -0.44 -0.91 0.00 0.00 0.00 179.25 177.84 3g6l h ASN 183 N 0.98 0.72 0.10 0.00 -0.26 -1.01 -3.06 115.58 113.06 3g6l h ASN 183 Ca 0.22 -0.34 -0.04 0.00 -0.56 0.00 0.00 56.30 55.57 3g6l h ASN 183 Cb 0.28 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3g6l h ASN 183 CO -0.01 1.06 -0.15 0.78 -1.06 0.00 0.00 177.43 178.05 3g6l h ASN 184 N 0.54 0.11 -0.25 5.81 2.35 -0.65 -1.41 115.58 122.09 3g6l h ASN 184 Ca 0.04 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3g6l h ASN 184 Cb 0.98 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3g6l h ASN 184 CO 0.09 0.28 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.10 3g6l h MET 185 N 0.11 0.46 0.19 0.81 4.05 -0.69 -0.39 114.93 119.47 3g6l h MET 185 Ca 0.02 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 3g6l h MET 185 Cb 0.34 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3g6l h MET 185 CO 0.02 0.65 -0.15 0.28 0.23 0.00 0.00 176.91 177.94 3g6l h VAL 186 N 0.22 0.67 -0.95 -5.77 2.07 -1.39 -0.99 116.25 110.11 3g6l h VAL 186 Ca 0.07 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.78 3g6l h VAL 186 Cb 0.46 0.67 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 3g6l h VAL 186 CO 0.02 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.06 3g6l h LEU 187 N -0.35 0.63 -0.09 2.57 3.38 -1.19 0.19 115.31 120.44 3g6l h LEU 187 Ca -0.01 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3g6l h LEU 187 Cb 0.32 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3g6l h LEU 187 CO -0.01 0.19 -0.19 0.25 0.09 0.00 0.00 178.44 178.78 3g6l h LEU 188 N 0.64 0.32 -0.96 1.67 5.85 -0.66 -2.01 115.31 120.18 3g6l h LEU 188 Ca 0.56 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3g6l h LEU 188 Cb 0.91 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3g6l h LEU 188 CO -0.42 0.82 0.09 -0.07 -0.34 0.00 0.00 178.44 178.53 3g6l h LEU 189 N -0.17 0.80 -0.63 2.25 3.38 -0.77 -0.77 115.31 119.40 3g6l h LEU 189 Ca 0.00 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3g6l h LEU 189 Cb 0.77 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3g6l h LEU 189 CO 0.04 0.81 0.40 1.56 0.09 0.00 0.00 178.44 181.34 3g6l h GLN 190 N 0.81 0.76 -0.65 1.13 4.20 -0.90 0.23 115.11 120.70 3g6l h GLN 190 Ca 0.17 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3g6l h GLN 190 Cb 0.36 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3g6l h GLN 190 CO 0.01 0.50 0.12 -0.09 -0.67 0.00 0.00 178.83 178.70 3g6l h ARG 191 N 0.78 1.06 -0.14 1.46 9.65 -1.04 0.21 114.38 126.37 3g6l h ARG 191 Ca 0.25 -0.28 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3g6l h ARG 191 Cb 0.01 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 3g6l h ARG 191 CO -0.10 0.97 -0.01 0.28 2.80 0.00 0.00 179.97 183.92 3g6l h VAL 192 N 0.98 1.26 -0.53 0.20 2.07 -0.93 -1.63 116.25 117.68 3g6l h VAL 192 Ca 0.20 -0.86 0.10 0.00 0.82 0.00 0.00 66.70 66.96 3g6l h VAL 192 Cb 0.42 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 3g6l h VAL 192 CO 0.01 0.25 0.04 -0.09 0.02 0.00 0.00 177.57 177.80 3g6l h ARG 193 N -0.02 0.16 -0.85 1.57 9.65 -0.32 0.03 114.38 124.59 3g6l h ARG 193 Ca 0.04 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.97 3g6l h ARG 193 Cb 0.39 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 3g6l h ARG 193 CO 0.01 0.10 0.53 0.37 2.80 0.00 0.00 179.97 183.78 3g6l h GLN 194 N 0.16 0.93 -0.25 0.20 4.15 -0.39 -1.26 115.11 118.65 3g6l h GLN 194 Ca 0.27 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.45 3g6l h GLN 194 Cb 0.41 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3g6l h GLN 194 CO -0.41 0.61 -0.56 1.49 -1.93 0.00 0.00 178.83 178.03 3g6l h GLU 195 N 0.96 0.83 -0.36 1.69 4.57 -0.38 -1.17 114.58 120.71 3g6l h GLU 195 Ca 0.38 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3g6l h GLU 195 Cb 0.19 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3g6l h GLU 195 CO -0.18 1.18 0.23 -0.07 -1.18 0.00 0.00 179.01 178.99 3g6l h LEU 196 N 0.59 0.41 -0.43 1.64 3.38 -0.77 -0.13 115.31 120.00 3g6l h LEU 196 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3g6l h LEU 196 Cb 1.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3g6l h LEU 196 CO 0.12 0.32 0.26 0.44 0.09 0.00 0.00 178.44 179.66 3g6l h ASP 197 N 0.47 0.52 -0.33 -0.43 3.32 -1.04 -0.66 116.42 118.28 3g6l h ASP 197 Ca 0.13 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3g6l h ASP 197 Cb -0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3g6l h ASP 197 CO -0.03 0.43 -0.00 0.77 -1.72 0.00 0.00 179.24 178.69 3g6l h SER 198 N 0.57 0.57 -0.03 6.45 4.64 -1.17 -1.84 113.55 122.73 3g6l h SER 198 Ca 0.15 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3g6l h SER 198 Cb 0.00 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 3g6l h SER 198 CO -0.03 0.74 -0.14 0.22 -0.87 0.00 0.00 176.83 176.75 3g6l h TYR 199 N 0.38 -0.35 -0.61 4.77 3.20 -0.93 -2.51 116.97 120.92 3g6l h TYR 199 Ca 0.09 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 3g6l h TYR 199 Cb 0.45 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3g6l h TYR 199 CO 0.04 -0.21 0.40 1.03 -1.64 0.00 0.00 178.16 177.78 3g6l h SER 200 N -0.22 0.70 -0.70 -2.11 0.87 -1.08 -1.00 113.55 110.01 3g6l h SER 200 Ca 0.06 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 3g6l h SER 200 Cb 0.29 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3g6l h SER 200 CO -0.16 0.51 0.20 0.00 -0.53 0.00 0.00 176.83 176.85 3g6l h ALA 201 N 1.62 0.92 0.17 6.23 0.00 -1.01 -0.98 119.26 126.21 3g6l h ALA 201 Ca 0.22 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3g6l h ALA 201 Cb -0.09 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.45 3g6l h ALA 201 CO -0.05 0.61 -1.33 1.15 0.00 0.00 0.00 179.25 179.63 3g6l h THR 202 N 1.03 1.34 0.00 0.00 2.02 -1.11 -3.42 112.91 112.77 3g6l h THR 202 Ca 0.22 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 64.72 3g6l h THR 202 Cb 0.32 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3g6l h THR 202 CO -0.00 0.80 -0.18 -1.22 0.37 0.00 0.00 175.52 175.29 3g6l n TYR 203 N -3.70 0.00 -0.95 3.16 4.01 -0.41 -4.81 117.16 114.46 3g6l n TYR 203 Ca -0.13 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.63 3g6l n TYR 203 Cb 1.04 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.10 3g6l n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3g6l n ALA 204 N -0.79 1.82 -3.89 -0.72 0.00 -0.46 -4.51 120.51 111.96 3g6l n ALA 204 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 53.44 51.85 3g6l n ALA 204 Cb 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 19.45 19.27 3g6l n ALA 204 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3g6l n ASN 205 N -0.51 -4.68 0.00 0.00 3.02 -0.87 -2.16 115.26 110.06 3g6l n ASN 205 Ca 0.04 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 3g6l n ASN 205 Cb 0.51 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 3g6l n ASN 205 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g6l n GLY 206 N -1.71 0.39 3.59 7.41 0.00 -0.64 -5.00 105.19 109.22 3g6l n GLY 206 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.54 3g6l n GLY 206 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3g6l n TYR 207 N -2.70 1.43 -2.95 1.61 9.36 -0.92 -4.88 117.16 118.12 3g6l n TYR 207 Ca 0.00 0.65 -0.44 0.00 3.32 0.00 0.00 57.90 61.43 3g6l n TYR 207 Cb 0.13 -2.31 -0.03 0.00 -0.63 0.00 0.00 39.34 36.49 3g6l n TYR 207 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3g6l s HIS 208 N 0.13 2.97 0.61 2.98 5.65 -1.26 -4.84 115.29 121.52 3g6l s HIS 208 Ca 0.78 -1.05 -0.17 0.00 0.25 0.00 0.00 55.06 54.87 3g6l s HIS 208 Cb -0.89 -4.23 -0.03 0.00 -1.18 0.00 0.00 32.58 26.26 3g6l s HIS 208 CO 0.49 -1.50 1.14 -0.06 -0.65 0.00 0.00 174.74 174.16 3g6l s PHE 209 N 3.08 2.58 0.26 3.88 0.08 -1.26 -5.01 117.98 121.58 3g6l s PHE 209 Ca 0.25 1.55 0.06 0.00 0.12 0.00 0.00 56.93 58.91 3g6l s PHE 209 Cb -0.12 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 39.02 3g6l s PHE 209 CO -0.00 -1.76 0.27 -0.65 -0.10 0.00 0.00 175.22 172.98 3g6l s GLN 210 N -3.66 3.10 -0.05 0.44 -0.21 0.06 -4.96 119.66 114.39 3g6l s GLN 210 Ca 0.71 -0.96 -0.02 0.00 0.02 0.00 0.00 55.36 55.11 3g6l s GLN 210 Cb -0.24 -2.68 0.04 0.00 1.00 0.00 0.00 33.01 31.13 3g6l s GLN 210 CO 0.35 0.38 0.10 -1.17 -2.12 0.00 0.00 175.29 172.82 3g6l s LEU 211 N -3.91 0.53 0.15 2.90 2.96 -1.26 -1.34 118.68 118.70 3g6l s LEU 211 Ca 0.34 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3g6l s LEU 211 Cb -0.08 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.68 3g6l s LEU 211 CO 0.27 -0.19 0.05 -0.94 -1.32 0.00 0.00 176.35 174.22 3g6l s SER 212 N 1.60 0.53 0.14 3.68 1.04 -0.33 -0.40 113.70 119.96 3g6l s SER 212 Ca -0.04 -1.21 0.07 0.00 0.48 0.00 0.00 55.95 55.25 3g6l s SER 212 Cb -0.12 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3g6l s SER 212 CO -0.04 -0.70 -0.15 0.27 0.98 0.00 0.00 173.24 173.59 3g6l s ILE 213 N -3.96 1.51 -0.11 -1.02 -4.36 -1.10 -0.06 121.20 112.10 3g6l s ILE 213 Ca 0.25 -1.82 -0.26 0.00 -0.26 0.00 0.00 60.65 58.56 3g6l s ILE 213 Cb 0.07 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 42.09 3g6l s ILE 213 CO 0.03 -0.40 0.84 0.00 0.24 0.00 0.00 174.94 175.64 3g6l s ALA 214 N -2.19 3.41 0.04 2.27 0.00 -1.09 -0.59 121.76 123.61 3g6l s ALA 214 Ca 0.12 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.30 3g6l s ALA 214 Cb -0.05 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3g6l s ALA 214 CO 0.04 -0.45 -0.14 0.00 0.00 0.00 0.00 175.76 175.21 3g6l s ALA 215 N 1.64 2.75 0.26 0.00 0.00 0.46 -4.66 121.76 122.21 3g6l s ALA 215 Ca 0.41 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 3g6l s ALA 215 Cb -0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 3g6l s ALA 215 CO 0.16 0.59 1.24 -1.25 0.00 0.00 0.00 175.76 176.50 3g6l s PRO 216 N -1.50 4.46 0.00 0.00 0.04 -1.26 -0.71 135.00 136.02 3g6l s PRO 216 Ca 0.16 2.02 0.25 0.00 0.04 0.00 0.00 61.00 63.47 3g6l s PRO 216 Cb -0.11 -3.16 0.46 0.00 0.04 0.00 0.00 34.50 31.73 3g6l s PRO 216 CO 0.07 -0.08 1.40 0.00 0.04 0.00 0.00 177.00 178.42 3g6l n ALA 217 N 1.60 2.67 -2.70 8.56 0.00 -1.26 -4.63 120.51 124.75 3g6l n ALA 217 Ca 0.02 -0.59 -0.37 0.00 0.00 0.00 0.00 53.44 52.49 3g6l n ALA 217 Cb 0.43 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 3g6l n ALA 217 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g6l s GLY 218 N -2.09 2.18 0.42 0.00 0.00 -1.26 -4.63 107.32 101.93 3g6l s GLY 218 Ca 0.30 -0.45 0.08 0.00 0.00 0.00 0.00 44.72 44.64 3g6l s GLY 218 CO 0.36 0.65 2.05 -2.55 0.00 0.00 0.00 173.10 173.61 3g6l h PRO 219 N 7.01 0.47 -0.54 2.90 0.11 -1.97 -0.75 132.00 139.23 3g6l h PRO 219 Ca -0.39 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.75 3g6l h PRO 219 Cb 1.17 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3g6l h PRO 219 CO 0.74 0.34 0.36 0.66 -0.21 0.00 0.00 178.00 179.88 3g6l h SER 220 N 0.48 0.42 0.00 -2.05 4.64 -1.99 -0.80 113.55 114.25 3g6l h SER 220 Ca 0.13 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3g6l h SER 220 Cb -0.01 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3g6l h SER 220 CO -0.02 0.27 -0.51 0.45 -0.87 0.00 0.00 176.83 176.15 3g6l h HIS 221 N 0.48 0.00 0.00 4.77 3.86 -1.71 -3.38 115.15 119.17 3g6l h HIS 221 Ca 0.23 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3g6l h HIS 221 Cb 0.31 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 3g6l h HIS 221 CO -0.00 0.96 -0.16 0.10 0.86 0.00 0.00 177.93 179.69 3g6l h TYR 222 N -1.00 0.00 0.00 2.45 -0.00 -1.04 -0.65 116.97 116.73 3g6l h TYR 222 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.60 3g6l h TYR 222 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.67 3g6l h TYR 222 CO 0.13 0.16 0.00 0.09 -0.00 0.00 0.00 178.16 178.54 3g6l n ASN 223 N -3.56 0.67 0.04 0.10 5.03 -0.32 -2.26 115.26 114.96 3g6l n ASN 223 Ca -0.01 0.67 -0.05 0.00 0.87 0.00 0.00 54.58 56.05 3g6l n ASN 223 Cb 0.30 -0.81 -0.10 0.00 -1.02 0.00 0.00 39.78 38.15 3g6l n ASN 223 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3g6l h VAL 224 N 0.00 1.08 -4.10 2.41 2.07 -1.29 -3.48 116.25 112.93 3g6l h VAL 224 Ca 0.00 -2.76 -0.48 0.00 0.82 0.00 0.00 66.70 64.28 3g6l h VAL 224 Cb 0.36 2.49 0.04 0.00 -1.52 0.00 0.00 31.29 32.66 3g6l h VAL 224 CO 0.00 0.61 0.39 -0.76 0.02 0.00 0.00 177.57 177.84 3g6l s LEU 225 N -6.29 3.75 -1.24 2.57 1.43 -0.96 -4.70 118.68 113.23 3g6l s LEU 225 Ca -0.01 1.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.91 3g6l s LEU 225 Cb 0.09 -4.56 0.16 0.00 0.03 0.00 0.00 46.19 41.90 3g6l s LEU 225 CO 0.81 -0.96 1.59 0.29 0.23 0.00 0.00 176.35 178.31 3g6l n LYS 226 N -1.28 3.39 -0.20 1.70 4.76 -1.26 -4.86 118.16 120.41 3g6l n LYS 226 Ca 0.10 -3.68 -0.07 0.00 -2.87 0.00 0.00 58.31 51.79 3g6l n LYS 226 Cb 0.52 -3.07 0.03 0.00 -1.84 0.00 0.00 35.03 30.67 3g6l n LYS 226 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3g6l h LEU 227 N 9.63 0.68 0.04 -0.35 3.38 -1.92 -1.28 115.31 125.48 3g6l h LEU 227 Ca 0.36 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3g6l h LEU 227 Cb 0.81 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3g6l h LEU 227 CO 1.37 0.54 -0.02 0.00 0.09 0.00 0.00 178.44 180.42 3g6l h ALA 228 N 1.17 -0.06 -1.00 1.53 0.00 -1.88 -0.04 119.26 118.99 3g6l h ALA 228 Ca 0.20 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3g6l h ALA 228 Cb -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3g6l h ALA 228 CO -0.04 -0.52 0.65 1.96 0.00 0.00 0.00 179.25 181.30 3g6l h GLN 229 N -0.07 1.19 -0.28 0.00 4.20 -1.90 -1.23 115.11 117.01 3g6l h GLN 229 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3g6l h GLN 229 Cb 0.06 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3g6l h GLN 229 CO 0.01 0.78 0.17 -0.07 -0.67 0.00 0.00 178.83 179.06 3g6l h LEU 230 N 1.22 0.33 -1.36 1.46 3.38 -0.92 -2.45 115.31 116.96 3g6l h LEU 230 Ca 0.42 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.50 3g6l h LEU 230 Cb 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3g6l h LEU 230 CO -0.15 0.26 0.56 1.23 0.09 0.00 0.00 178.44 180.44 3g6l h GLY 231 N 0.36 1.08 0.62 0.83 0.00 -0.36 -2.33 103.07 103.27 3g6l h GLY 231 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3g6l h GLY 231 CO -0.02 0.07 -0.14 0.23 0.00 0.00 0.00 176.54 176.68 3g6l h SER 232 N 0.60 0.26 1.39 0.19 0.87 -0.90 -3.34 113.55 112.62 3g6l h SER 232 Ca 0.44 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3g6l h SER 232 Cb 0.81 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3g6l h SER 232 CO -0.19 0.76 -0.34 1.62 -0.53 0.00 0.00 176.83 178.15 3g6l h VAL 233 N -0.24 0.00 -3.20 2.23 3.04 -1.22 -3.47 116.25 113.40 3g6l h VAL 233 Ca 0.00 -0.73 -0.64 0.00 -1.01 0.00 0.00 66.70 64.33 3g6l h VAL 233 Cb 0.71 1.53 -0.09 0.00 -2.01 0.00 0.00 31.29 31.43 3g6l h VAL 233 CO 0.03 0.00 -0.61 -0.76 -1.01 0.00 0.00 177.57 175.22 3g6l s LEU 234 N -5.10 3.76 0.06 3.16 1.43 -0.90 -4.94 118.68 116.16 3g6l s LEU 234 Ca 0.06 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 3g6l s LEU 234 Cb 0.10 -2.45 -0.18 0.00 0.03 0.00 0.00 46.19 43.69 3g6l s LEU 234 CO 0.68 0.17 1.24 0.44 0.23 0.00 0.00 176.35 179.12 3g6l h ASP 235 N 3.31 0.73 -4.53 2.29 3.32 -1.07 -3.47 116.42 116.99 3g6l h ASP 235 Ca -0.47 -0.65 -0.16 0.00 0.02 0.00 0.00 57.03 55.78 3g6l h ASP 235 Cb 1.16 -0.22 -0.23 0.00 0.22 0.00 0.00 39.33 40.27 3g6l h ASP 235 CO 0.65 1.26 -0.49 0.20 -1.72 0.00 0.00 179.24 179.14 3g6l s ASN 236 N -6.83 -0.06 -0.25 6.45 -0.87 -1.22 -4.74 114.94 107.42 3g6l s ASN 236 Ca -0.12 0.01 0.02 0.00 -1.57 0.00 0.00 52.86 51.20 3g6l s ASN 236 Cb 0.06 0.27 0.05 0.00 -0.02 0.00 0.00 41.25 41.61 3g6l s ASN 236 CO 0.85 -0.25 -0.11 -0.63 -2.57 0.00 0.00 177.10 174.39 3g6l s ILE 237 N -0.82 2.31 -0.56 0.60 1.01 0.66 -2.70 121.20 121.70 3g6l s ILE 237 Ca -0.09 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 58.96 3g6l s ILE 237 Cb -0.05 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.25 3g6l s ILE 237 CO 0.01 0.09 0.64 0.20 0.00 0.00 0.00 174.94 175.88 3g6l s ASN 238 N 1.18 6.19 -0.06 3.58 0.01 0.25 -0.85 114.94 125.23 3g6l s ASN 238 Ca -0.05 -1.41 -0.30 0.00 -0.71 0.00 0.00 52.86 50.39 3g6l s ASN 238 Cb -0.18 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 3g6l s ASN 238 CO -0.06 -1.00 1.25 -0.22 -1.51 0.00 0.00 177.10 175.56 3g6l s LEU 239 N 2.42 4.28 -1.28 0.60 2.96 -0.00 -0.40 118.68 127.25 3g6l s LEU 239 Ca 0.10 1.86 -0.15 0.00 -0.22 0.00 0.00 54.13 55.72 3g6l s LEU 239 Cb -0.24 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.01 3g6l s LEU 239 CO 0.07 -0.63 1.69 0.23 -1.32 0.00 0.00 176.35 176.38 3g6l n MET 240 N 5.41 3.28 -2.01 1.98 2.81 0.11 -0.69 117.12 128.00 3g6l n MET 240 Ca 0.12 -3.46 -0.39 0.00 -1.81 0.00 0.00 57.70 52.16 3g6l n MET 240 Cb 0.45 -3.24 -0.01 0.00 -0.71 0.00 0.00 33.22 29.72 3g6l n MET 240 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g6l n ALA 241 N 6.61 6.69 -3.83 3.04 0.00 -1.25 -4.06 120.51 127.71 3g6l n ALA 241 Ca 0.44 -4.04 -0.07 0.00 0.00 0.00 0.00 53.44 49.77 3g6l n ALA 241 Cb 0.43 -2.63 -0.01 0.00 0.00 0.00 0.00 19.45 17.24 3g6l n ALA 241 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3g6l s TYR 242 N -1.61 -0.11 -1.21 0.00 -0.85 -1.26 -4.60 117.35 107.71 3g6l s TYR 242 Ca 0.53 -0.37 -0.05 0.00 -0.52 0.00 0.00 57.07 56.66 3g6l s TYR 242 Cb 0.21 0.72 0.01 0.00 0.38 0.00 0.00 41.96 43.28 3g6l s TYR 242 CO -0.12 -1.23 0.72 -0.25 -1.52 0.00 0.00 175.55 173.15 3g6l n ASP 243 N -0.68 -5.48 0.21 -0.18 8.00 -0.75 -4.92 116.55 112.76 3g6l n ASP 243 Ca -0.05 -0.33 0.10 0.00 0.71 0.00 0.00 54.79 55.22 3g6l n ASP 243 Cb 0.59 -4.21 0.15 0.00 -0.02 0.00 0.00 41.12 37.63 3g6l n ASP 243 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3g6l h TYR 244 N -1.64 0.00 -3.86 1.24 0.05 -1.45 -3.46 116.97 107.85 3g6l h TYR 244 Ca -0.45 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.17 3g6l h TYR 244 Cb 1.30 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.84 3g6l h TYR 244 CO 0.42 0.08 -0.64 0.00 -1.05 0.00 0.00 178.16 176.98 3g6l s ALA 245 N -3.17 0.01 0.00 3.88 0.00 -1.26 -4.69 121.76 116.53 3g6l s ALA 245 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3g6l s ALA 245 Cb 0.05 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3g6l s ALA 245 CO 0.68 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.67 3g6l n GLY 246 N 1.48 -0.82 0.35 0.00 0.00 -1.26 -4.76 105.19 100.18 3g6l n GLY 246 Ca -0.23 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.30 3g6l n GLY 246 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g6l h SER 247 N 0.00 0.00 0.27 1.61 4.64 -1.97 -2.44 113.55 115.66 3g6l h SER 247 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g6l h SER 247 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3g6l h SER 247 CO 0.00 0.00 -0.03 -2.67 -0.87 0.00 0.00 176.83 173.26 3g6l n TRP 248 N -3.56 0.00 -3.75 4.77 2.14 -1.26 -4.82 117.44 110.97 3g6l n TRP 248 Ca 0.03 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.27 3g6l n TRP 248 Cb 0.42 -0.14 -0.05 0.00 -0.81 0.00 0.00 31.31 30.74 3g6l n TRP 248 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3g6l s ASP 249 N -2.30 6.47 0.42 -0.67 1.01 -0.92 -5.00 116.67 115.68 3g6l s ASP 249 Ca 0.36 0.52 0.23 0.00 0.71 0.00 0.00 52.55 54.37 3g6l s ASP 249 Cb 0.21 -2.06 0.41 0.00 1.01 0.00 0.00 42.92 42.49 3g6l s ASP 249 CO 0.42 0.14 1.63 0.77 0.21 0.00 0.00 175.17 178.34 3g6l h SER 250 N 3.27 0.00 -4.43 0.27 4.64 -1.88 -3.45 113.55 111.96 3g6l h SER 250 Ca -0.47 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.56 3g6l h SER 250 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 3g6l h SER 250 CO 0.71 0.09 -0.72 0.68 -0.87 0.00 0.00 176.83 176.72 3g6l s VAL 251 N -3.23 0.86 0.71 0.95 -7.23 -1.26 -4.42 120.40 106.79 3g6l s VAL 251 Ca 0.06 -1.70 -0.16 0.00 -1.81 0.00 0.00 61.98 58.37 3g6l s VAL 251 Cb 0.06 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.62 3g6l s VAL 251 CO 0.67 -0.64 1.26 -0.94 -0.31 0.00 0.00 175.10 175.14 3g6l s SER 252 N -2.57 4.17 0.28 4.85 1.04 0.18 -4.81 113.70 116.85 3g6l s SER 252 Ca 0.06 2.52 -0.19 0.00 0.48 0.00 0.00 55.95 58.82 3g6l s SER 252 Cb -0.01 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.52 3g6l s SER 252 CO -0.01 -2.29 0.67 -0.83 0.98 0.00 0.00 173.24 171.76 3g6l s GLY 253 N -1.72 0.06 0.01 7.32 0.00 -1.26 -0.70 107.32 111.03 3g6l s GLY 253 Ca 0.79 -0.45 -0.28 0.00 0.00 0.00 0.00 44.72 44.78 3g6l s GLY 253 CO 0.44 -0.22 0.88 0.30 0.00 0.00 0.00 173.10 174.50 3g6l s HIS 254 N -3.90 3.68 -1.02 1.90 3.76 0.33 -4.80 115.29 115.24 3g6l s HIS 254 Ca 0.14 1.58 0.25 0.00 -0.15 0.00 0.00 55.06 56.88 3g6l s HIS 254 Cb -0.05 -2.99 0.55 0.00 1.11 0.00 0.00 32.58 31.20 3g6l s HIS 254 CO 0.08 0.10 1.44 0.00 -0.85 0.00 0.00 174.74 175.51 3g6l n GLN 255 N 3.50 0.02 -1.68 1.40 10.64 -1.26 -4.08 117.38 125.92 3g6l n GLN 255 Ca 0.02 -0.01 -0.04 0.00 -1.83 0.00 0.00 57.00 55.14 3g6l n GLN 255 Cb 0.51 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.39 3g6l n GLN 255 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 3g6l n THR 256 N -1.48 0.09 -2.33 -0.39 5.66 -1.26 -1.33 114.28 113.25 3g6l n THR 256 Ca 0.06 -0.63 -0.39 0.00 -3.05 0.00 0.00 64.05 60.03 3g6l n THR 256 Cb 0.34 0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 69.86 3g6l n THR 256 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3g6l s ASN 257 N -1.37 6.81 0.25 1.09 4.22 -1.26 -4.90 114.94 119.78 3g6l s ASN 257 Ca 0.09 2.37 -0.03 0.00 -2.14 0.00 0.00 52.86 53.15 3g6l s ASN 257 Cb 0.20 -2.62 0.31 0.00 1.28 0.00 0.00 41.25 40.42 3g6l s ASN 257 CO -0.06 -0.48 1.77 -0.07 -2.04 0.00 0.00 177.10 176.23 3g6l h LEU 258 N 3.12 0.84 -8.20 3.54 3.38 -0.91 -2.28 115.31 114.80 3g6l h LEU 258 Ca -0.48 -0.18 -0.22 0.00 0.09 0.00 0.00 57.88 57.09 3g6l h LEU 258 Cb 1.22 -0.22 -0.19 0.00 0.09 0.00 0.00 40.66 41.56 3g6l h LEU 258 CO 0.64 0.85 -0.71 -0.31 0.09 0.00 0.00 178.44 179.00 3g6l s TYR 259 N -5.14 0.61 0.45 1.13 2.02 0.13 -0.56 117.35 115.99 3g6l s TYR 259 Ca -0.10 -0.67 -0.25 0.00 -0.37 0.00 0.00 57.07 55.67 3g6l s TYR 259 Cb 0.15 -0.38 -0.08 0.00 -0.40 0.00 0.00 41.96 41.25 3g6l s TYR 259 CO 0.82 -0.16 1.44 -2.14 -1.57 0.00 0.00 175.55 173.93 3g6l s PRO 260 N -2.35 3.70 -0.49 -1.71 0.02 -1.26 -4.59 135.00 128.33 3g6l s PRO 260 Ca -0.04 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.16 3g6l s PRO 260 Cb -0.04 -2.67 0.03 0.00 0.02 0.00 0.00 34.50 31.83 3g6l s PRO 260 CO -0.02 -0.81 0.99 0.45 -0.33 0.00 0.00 177.00 177.27 3g6l s SER 261 N -0.47 6.49 0.48 2.53 0.15 -1.26 -4.55 113.70 117.07 3g6l s SER 261 Ca 0.61 0.11 0.27 0.00 0.70 0.00 0.00 55.95 57.64 3g6l s SER 261 Cb -0.44 -2.47 0.95 0.00 -1.71 0.00 0.00 66.02 62.34 3g6l s SER 261 CO 0.57 -1.15 1.83 0.71 1.20 0.00 0.00 173.24 176.40 3g6l h THR 262 N 6.11 0.23 0.14 6.45 1.35 -1.92 -1.88 112.91 123.40 3g6l h THR 262 Ca -0.24 -0.91 -0.29 0.00 -0.55 0.00 0.00 66.41 64.42 3g6l h THR 262 Cb 1.07 1.74 0.01 0.00 -1.73 0.00 0.00 68.15 69.24 3g6l h THR 262 CO 1.07 0.10 -1.35 0.77 -0.25 0.00 0.00 175.52 175.86 3g6l h SER 263 N 0.00 0.48 -2.02 5.36 4.64 -2.00 -3.41 113.55 116.60 3g6l h SER 263 Ca -0.00 -0.54 -0.56 0.00 -0.47 0.00 0.00 61.79 60.21 3g6l h SER 263 Cb 0.74 -0.16 -0.39 0.00 -0.31 0.00 0.00 62.40 62.28 3g6l h SER 263 CO 0.01 1.43 -1.09 -3.20 -0.87 0.00 0.00 176.83 173.12 3g6l n ASN 264 N -3.54 0.26 0.17 4.97 5.15 -1.20 -5.00 115.26 116.06 3g6l n ASN 264 Ca -0.12 -2.70 0.12 0.00 -0.60 0.00 0.00 54.58 51.29 3g6l n ASN 264 Cb 1.04 -0.64 0.66 0.00 -0.53 0.00 0.00 39.78 40.31 3g6l n ASN 264 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3g6l h PRO 265 N 4.07 0.00 0.00 1.20 0.11 -1.58 -1.31 132.00 134.48 3g6l h PRO 265 Ca 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3g6l h PRO 265 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3g6l h PRO 265 CO 0.47 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 178.82 3g6l h SER 266 N 0.00 0.00 0.89 -2.05 4.64 -1.92 -2.17 113.55 112.93 3g6l h SER 266 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3g6l h SER 266 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3g6l h SER 266 CO -0.00 0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 3g6l n SER 267 N -3.53 0.00 -3.44 4.97 3.41 -0.49 -4.31 113.62 110.23 3g6l n SER 267 Ca -0.02 0.48 -0.26 0.00 -0.26 0.00 0.00 58.87 58.81 3g6l n SER 267 Cb 0.24 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.60 3g6l n SER 267 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3g6l n THR 268 N -1.49 0.02 0.31 6.66 -2.24 -0.82 -0.52 114.28 116.21 3g6l n THR 268 Ca 0.07 -4.14 0.19 0.00 -2.27 0.00 0.00 64.05 57.89 3g6l n THR 268 Cb 0.30 -1.91 1.01 0.00 -2.10 0.00 0.00 70.33 67.64 3g6l n THR 268 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3g6l h PRO 269 N 4.91 0.00 -4.88 -0.78 0.13 -1.75 -3.45 132.00 126.18 3g6l h PRO 269 Ca 0.18 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.88 3g6l h PRO 269 Cb 0.83 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.83 3g6l h PRO 269 CO 0.53 0.02 -0.54 -0.06 -0.23 0.00 0.00 178.00 177.72 3g6l s PHE 270 N -4.23 1.62 -0.11 1.56 0.08 -1.26 -5.10 117.98 110.53 3g6l s PHE 270 Ca -0.04 -1.43 -0.23 0.00 0.12 0.00 0.00 56.93 55.35 3g6l s PHE 270 Cb 0.13 -0.83 0.05 0.00 -0.57 0.00 0.00 43.02 41.81 3g6l s PHE 270 CO 0.49 -0.59 0.56 -1.54 -0.10 0.00 0.00 175.22 174.04 3g6l s SER 271 N -3.38 -0.54 0.26 1.36 1.04 -1.26 -4.69 113.70 106.49 3g6l s SER 271 Ca 0.36 0.77 -0.05 0.00 0.48 0.00 0.00 55.95 57.52 3g6l s SER 271 Cb 0.04 0.76 0.30 0.00 0.10 0.00 0.00 66.02 67.23 3g6l s SER 271 CO 0.19 -0.41 1.88 0.74 0.98 0.00 0.00 173.24 176.62 3g6l h THR 272 N 3.69 1.24 -0.53 2.02 2.02 -1.39 -2.94 112.91 117.03 3g6l h THR 272 Ca -0.28 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.37 3g6l h THR 272 Cb 1.16 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3g6l h THR 272 CO 0.29 0.27 0.18 0.50 0.37 0.00 0.00 175.52 177.13 3g6l h LYS 273 N 1.15 0.34 -0.78 6.66 3.64 -1.09 0.98 116.57 127.48 3g6l h LYS 273 Ca 0.29 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3g6l h LYS 273 Cb 0.04 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3g6l h LYS 273 CO -0.05 0.23 0.45 0.00 -2.27 0.00 0.00 179.45 177.81 3g6l h ALA 274 N 1.37 0.99 0.36 5.00 0.00 -1.78 -1.46 119.26 123.73 3g6l h ALA 274 Ca 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3g6l h ALA 274 Cb 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g6l h ALA 274 CO -0.27 0.47 -0.17 0.00 0.00 0.00 0.00 179.25 179.28 3g6l h ALA 275 N 1.24 -0.48 -0.21 0.00 0.00 -1.26 -2.00 119.26 116.54 3g6l h ALA 275 Ca 0.28 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3g6l h ALA 275 Cb -0.01 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3g6l h ALA 275 CO -0.05 -0.59 -0.21 0.28 0.00 0.00 0.00 179.25 178.68 3g6l h VAL 276 N -0.83 0.45 -0.54 0.00 2.07 -0.80 -0.59 116.25 116.01 3g6l h VAL 276 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 3g6l h VAL 276 Cb 0.53 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3g6l h VAL 276 CO 0.08 0.00 0.05 0.44 0.02 0.00 0.00 177.57 178.17 3g6l h ASP 277 N -0.23 -0.12 -0.83 0.57 3.32 -1.33 -0.77 116.42 117.03 3g6l h ASP 277 Ca 0.13 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3g6l h ASP 277 Cb 0.42 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 3g6l h ASP 277 CO -0.35 -0.04 0.55 0.00 -1.72 0.00 0.00 179.24 177.69 3g6l h ALA 278 N 1.45 1.06 -0.27 3.45 0.00 -0.53 0.68 119.26 125.10 3g6l h ALA 278 Ca 0.28 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3g6l h ALA 278 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3g6l h ALA 278 CO -0.41 0.46 -0.08 1.88 0.00 0.00 0.00 179.25 181.10 3g6l h TYR 279 N 1.12 0.60 -0.69 0.00 -1.99 -0.77 -1.96 116.97 113.28 3g6l h TYR 279 Ca 0.31 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 3g6l h TYR 279 Cb -0.12 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.43 3g6l h TYR 279 CO -0.01 0.74 0.15 0.82 -0.00 0.00 0.00 178.16 179.86 3g6l h ILE 280 N 0.28 1.26 -0.40 -2.88 2.04 -0.99 -1.72 117.51 115.11 3g6l h ILE 280 Ca 0.07 -1.00 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 3g6l h ILE 280 Cb 0.56 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3g6l h ILE 280 CO 0.03 0.38 -0.07 0.00 0.00 0.00 0.00 178.15 178.49 3g6l h ALA 281 N 1.07 1.13 0.00 1.87 0.00 -0.88 -2.01 119.26 120.44 3g6l h ALA 281 Ca 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g6l h ALA 281 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g6l h ALA 281 CO 0.01 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3g6l h ALA 282 N 1.29 1.00 0.00 0.00 0.00 -1.10 -3.46 119.26 116.99 3g6l h ALA 282 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g6l h ALA 282 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3g6l h ALA 282 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3g6l n GLY 283 N -0.29 1.19 3.69 0.00 0.00 -0.75 -4.13 105.19 104.90 3g6l n GLY 283 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3g6l n GLY 283 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6l s VAL 284 N -2.00 4.50 0.19 1.61 1.01 -0.68 -4.81 120.40 120.23 3g6l s VAL 284 Ca 0.00 1.80 -0.32 0.00 0.00 0.00 0.00 61.98 63.46 3g6l s VAL 284 Cb 0.00 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.11 3g6l s VAL 284 CO 0.00 -0.00 1.72 -2.16 0.00 0.00 0.00 175.10 174.66 3g6l s PRO 285 N 2.13 4.14 0.37 2.72 0.04 -1.26 -4.34 135.00 138.79 3g6l s PRO 285 Ca 0.52 2.58 0.17 0.00 0.04 0.00 0.00 61.00 64.31 3g6l s PRO 285 Cb -0.22 -3.14 1.12 0.00 0.04 0.00 0.00 34.50 32.29 3g6l s PRO 285 CO 0.20 -0.75 1.70 0.00 0.04 0.00 0.00 177.00 178.19 3g6l h ALA 286 N 7.01 2.13 0.00 8.56 0.00 -1.88 -0.85 119.26 134.24 3g6l h ALA 286 Ca -0.43 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3g6l h ALA 286 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3g6l h ALA 286 CO 0.95 -0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 3g6l n SER 287 N -4.85 0.11 0.00 0.00 3.41 -1.18 -1.49 113.62 109.62 3g6l n SER 287 Ca 0.30 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 3g6l n SER 287 Cb 0.99 -0.55 0.12 0.00 -0.26 0.00 0.00 64.21 64.52 3g6l n SER 287 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g6l n LYS 288 N -1.62 0.02 -3.18 4.33 5.02 -0.32 -3.51 118.16 118.89 3g6l n LYS 288 Ca 0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 3g6l n LYS 288 Cb 0.26 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 3g6l n LYS 288 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g6l s ILE 289 N -3.01 5.05 -0.15 -0.18 1.01 -0.56 -0.24 121.20 123.12 3g6l s ILE 289 Ca 0.10 1.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.75 3g6l s ILE 289 Cb 0.17 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3g6l s ILE 289 CO 0.76 0.10 -0.07 -0.63 0.00 0.00 0.00 174.94 175.09 3g6l s ILE 290 N 2.12 3.53 -0.42 2.92 -1.09 -0.03 -0.61 121.20 127.61 3g6l s ILE 290 Ca 0.25 -0.49 -0.25 0.00 -2.23 0.00 0.00 60.65 57.93 3g6l s ILE 290 Cb -0.16 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 38.22 3g6l s ILE 290 CO 0.09 0.50 0.88 -0.22 -1.23 0.00 0.00 174.94 174.96 3g6l s LEU 291 N 0.43 4.06 0.32 2.97 2.96 -0.22 -0.82 118.68 128.39 3g6l s LEU 291 Ca -0.06 0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.79 3g6l s LEU 291 Cb -0.15 -3.14 -0.09 0.00 0.50 0.00 0.00 46.19 43.30 3g6l s LEU 291 CO 0.04 -0.94 1.03 -0.83 -1.32 0.00 0.00 176.35 174.33 3g6l s GLY 292 N 2.10 2.92 0.02 7.98 0.00 0.14 -0.61 107.32 119.86 3g6l s GLY 292 Ca 0.35 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.80 3g6l s GLY 292 CO 0.23 1.24 -0.04 1.06 0.00 0.00 0.00 173.10 175.58 3g6l s MET 293 N -1.87 0.32 0.18 2.90 -1.94 0.15 -3.81 119.30 115.24 3g6l s MET 293 Ca 0.49 -0.49 -0.29 0.00 -1.71 0.00 0.00 55.69 53.69 3g6l s MET 293 Cb -0.25 -0.07 -0.08 0.00 2.01 0.00 0.00 34.83 36.44 3g6l s MET 293 CO 0.32 0.00 0.92 -1.25 -0.01 0.00 0.00 175.02 175.00 3g6l s PRO 294 N -1.07 4.75 -0.84 2.03 0.04 -1.26 -2.58 135.00 136.07 3g6l s PRO 294 Ca -0.09 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3g6l s PRO 294 Cb -0.07 -3.32 0.34 0.00 0.04 0.00 0.00 34.50 31.49 3g6l s PRO 294 CO -0.00 0.41 1.70 -0.89 0.04 0.00 0.00 177.00 178.25 3g6l n ILE 295 N 2.02 4.47 -3.58 0.56 5.41 0.41 -4.43 119.36 124.22 3g6l n ILE 295 Ca -0.01 -5.27 -0.05 0.00 1.00 0.00 0.00 62.75 58.42 3g6l n ILE 295 Cb 0.48 -1.40 -0.02 0.00 -0.71 0.00 0.00 39.64 37.99 3g6l n ILE 295 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3g6l s TYR 296 N -4.05 -0.17 0.03 1.39 -0.85 -1.26 -2.29 117.35 110.15 3g6l s TYR 296 Ca 0.46 0.14 0.04 0.00 -0.52 0.00 0.00 57.07 57.19 3g6l s TYR 296 Cb 0.31 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 43.12 3g6l s TYR 296 CO -0.23 -0.25 -0.06 0.20 -1.52 0.00 0.00 175.55 173.69 3g6l s GLY 297 N -2.05 1.80 -0.27 5.49 0.00 0.21 -4.49 107.32 108.01 3g6l s GLY 297 Ca 0.08 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.64 3g6l s GLY 297 CO -0.05 -0.97 0.12 0.50 0.00 0.00 0.00 173.10 172.70 3g6l s ARG 298 N -1.70 3.70 0.26 2.90 0.52 0.14 -1.09 118.95 123.68 3g6l s ARG 298 Ca 0.19 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.83 3g6l s ARG 298 Cb -0.11 -3.47 -0.08 0.00 0.52 0.00 0.00 34.95 31.81 3g6l s ARG 298 CO 0.10 -0.22 0.61 0.00 0.02 0.00 0.00 175.30 175.82 3g6l s ALA 299 N 1.66 3.48 -0.23 2.13 0.00 -0.08 -1.53 121.76 127.19 3g6l s ALA 299 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 3g6l s ALA 299 Cb -0.16 -2.54 0.07 0.00 0.00 0.00 0.00 23.12 20.49 3g6l s ALA 299 CO 0.06 0.44 0.05 -0.06 0.00 0.00 0.00 175.76 176.25 3g6l s PHE 300 N -1.89 1.27 -0.15 0.00 0.08 0.40 -4.50 117.98 113.19 3g6l s PHE 300 Ca 0.50 -1.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.30 3g6l s PHE 300 Cb -0.11 -1.23 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 3g6l s PHE 300 CO 0.20 -0.70 0.18 0.08 -0.10 0.00 0.00 175.22 174.88 3g6l s VAL 301 N 1.77 5.40 -0.51 -0.44 1.01 0.17 -0.96 120.40 126.85 3g6l s VAL 301 Ca 0.02 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 3g6l s VAL 301 Cb -0.17 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3g6l s VAL 301 CO -0.13 0.50 0.44 0.61 0.00 0.00 0.00 175.10 176.52 3g6l n GLY 302 N 2.85 -0.06 3.09 4.51 0.00 -0.42 0.21 105.19 115.37 3g6l n GLY 302 Ca -0.17 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3g6l n GLY 302 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g6l s THR 303 N -3.18 0.63 -0.68 2.61 -1.32 0.76 -2.28 115.64 112.18 3g6l s THR 303 Ca 0.20 -1.22 0.25 0.00 -1.21 0.00 0.00 61.69 59.71 3g6l s THR 303 Cb -0.03 -0.80 0.22 0.00 -1.51 0.00 0.00 72.50 70.38 3g6l s THR 303 CO 0.35 -0.43 1.62 0.44 -2.21 0.00 0.00 174.62 174.39 3g6l h ASP 304 N 4.27 0.00 -1.23 8.08 3.32 -1.84 -3.40 116.42 125.61 3g6l h ASP 304 Ca -0.36 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3g6l h ASP 304 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3g6l h ASP 304 CO 0.44 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.60 3g6l n GLY 305 N 1.30 0.26 3.76 2.75 0.00 -1.26 -5.07 105.19 106.92 3g6l n GLY 305 Ca 0.05 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 3g6l n GLY 305 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3g6l s PRO 306 N -2.00 4.13 -0.66 1.61 0.02 -1.26 -3.31 135.00 133.53 3g6l s PRO 306 Ca 0.00 2.55 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 3g6l s PRO 306 Cb 0.00 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3g6l s PRO 306 CO 0.00 -0.57 0.25 0.41 -0.33 0.00 0.00 177.00 176.76 3g6l n GLY 307 N 1.47 0.17 3.24 0.52 0.00 0.12 -4.80 105.19 105.90 3g6l n GLY 307 Ca 0.05 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 3g6l n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6l s LYS 308 N -5.00 1.02 0.46 1.61 -0.14 -1.21 -4.82 119.74 111.67 3g6l s LYS 308 Ca 0.12 -1.22 -0.24 0.00 -1.36 0.00 0.00 55.97 53.28 3g6l s LYS 308 Cb -0.05 -0.95 -0.09 0.00 -1.68 0.00 0.00 37.83 35.06 3g6l s LYS 308 CO 0.15 0.19 1.14 -2.30 -0.76 0.00 0.00 175.35 173.77 3g6l n PRO 309 N 0.62 1.55 -4.17 -1.68 -0.02 -1.26 0.52 135.00 130.56 3g6l n PRO 309 Ca -0.16 0.56 -0.16 0.00 -2.02 0.00 0.00 63.50 61.72 3g6l n PRO 309 Cb 0.56 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 3g6l n PRO 309 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3g6l s TYR 310 N -1.28 1.09 -0.08 6.00 -0.85 -1.26 -4.29 117.35 116.69 3g6l s TYR 310 Ca 0.65 -0.57 -0.19 0.00 -0.52 0.00 0.00 57.07 56.44 3g6l s TYR 310 Cb -0.51 -0.60 -0.15 0.00 0.38 0.00 0.00 41.96 41.08 3g6l s TYR 310 CO 0.55 0.02 0.67 1.03 -1.52 0.00 0.00 175.55 176.31 3g6l h SER 311 N 3.89 -0.10 -5.04 -0.18 0.87 0.20 -3.49 113.55 109.71 3g6l h SER 311 Ca -0.38 -0.46 -0.06 0.00 -1.23 0.00 0.00 61.79 59.66 3g6l h SER 311 Cb 1.19 0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 63.03 3g6l h SER 311 CO 0.47 0.56 -0.01 0.28 -0.53 0.00 0.00 176.83 177.61 3g6l s THR 312 N -2.73 0.04 -0.04 2.23 -1.32 -0.86 -5.01 115.64 107.94 3g6l s THR 312 Ca -0.12 -0.36 0.31 0.00 -1.21 0.00 0.00 61.69 60.32 3g6l s THR 312 Cb -0.01 -1.02 0.36 0.00 -1.51 0.00 0.00 72.50 70.32 3g6l s THR 312 CO 0.44 -0.20 1.92 0.16 -2.21 0.00 0.00 174.62 174.73 3g6l h ILE 313 N 2.64 0.00 -0.25 5.08 3.07 -1.86 0.49 117.51 126.69 3g6l h ILE 313 Ca -0.32 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 65.64 3g6l h ILE 313 Cb 1.23 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 3g6l h ILE 313 CO 0.43 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.14 3g6l n GLY 314 N 0.04 -0.49 3.86 0.16 0.00 -1.26 -3.87 105.19 103.63 3g6l n GLY 314 Ca 0.01 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 3g6l n GLY 314 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6l s GLU 315 N 0.00 0.79 0.30 1.61 2.02 -1.26 -1.88 118.70 120.28 3g6l s GLU 315 Ca 0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.79 3g6l s GLU 315 Cb 0.00 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.41 3g6l s GLU 315 CO 0.00 -2.35 0.46 0.41 0.02 0.00 0.00 175.26 173.80 3g6l n GLY 316 N -3.12 2.01 0.16 -1.39 0.00 -1.23 -1.92 105.19 99.70 3g6l n GLY 316 Ca 0.12 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 3g6l n GLY 316 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3g6l h SER 317 N 1.63 0.55 0.00 1.61 0.02 -1.20 -3.42 113.55 112.73 3g6l h SER 317 Ca -0.24 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 3g6l h SER 317 Cb 0.99 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3g6l h SER 317 CO 0.32 1.08 -0.44 0.79 -1.14 0.00 0.00 176.83 177.44 3g6l n TRP 318 N -4.31 0.00 -3.86 3.45 7.02 -1.26 -5.04 117.44 113.44 3g6l n TRP 318 Ca -0.08 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.29 3g6l n TRP 318 Cb 0.55 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.35 3g6l n TRP 318 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3g6l s GLU 319 N -0.93 0.61 0.04 -0.99 -1.05 -1.26 -5.13 118.70 109.99 3g6l s GLU 319 Ca 0.00 -0.54 -0.37 0.00 -0.15 0.00 0.00 54.97 53.90 3g6l s GLU 319 Cb 0.00 0.25 -0.19 0.00 -0.44 0.00 0.00 34.13 33.75 3g6l s GLU 319 CO 0.00 -0.16 0.97 0.43 0.95 0.00 0.00 175.26 177.44 3g6l n SER 320 N 0.98 -0.21 0.00 0.83 7.64 -1.26 -2.89 113.62 118.71 3g6l n SER 320 Ca -0.20 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.83 3g6l n SER 320 Cb 0.58 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3g6l n SER 320 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g6l n GLY 321 N 1.62 0.87 2.90 0.23 0.00 -0.79 -4.79 105.19 105.23 3g6l n GLY 321 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3g6l n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g6l s ILE 322 N -3.44 0.57 -0.08 -0.61 1.01 -1.14 -0.91 121.20 116.61 3g6l s ILE 322 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.55 3g6l s ILE 322 Cb 0.00 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 3g6l s ILE 322 CO 0.00 0.23 -0.22 0.26 0.00 0.00 0.00 174.94 175.21 3g6l s TRP 323 N 0.87 2.32 0.31 3.97 0.52 -0.25 -0.56 118.94 126.12 3g6l s TRP 323 Ca -0.12 -0.85 -0.28 0.00 0.02 0.00 0.00 56.10 54.87 3g6l s TRP 323 Cb -0.14 -1.55 -0.13 0.00 -1.15 0.00 0.00 33.47 30.49 3g6l s TRP 323 CO 0.00 -0.32 1.19 -0.25 0.02 0.00 0.00 176.95 177.59 3g6l n ASP 324 N 3.35 2.17 -0.01 2.95 8.00 -1.26 0.65 116.55 132.40 3g6l n ASP 324 Ca -0.19 1.19 0.09 0.00 0.71 0.00 0.00 54.79 56.59 3g6l n ASP 324 Cb 0.53 -1.40 0.50 0.00 -0.02 0.00 0.00 41.12 40.73 3g6l n ASP 324 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3g6l h TYR 325 N 2.52 0.39 0.00 1.24 3.20 -1.47 -2.42 116.97 120.44 3g6l h TYR 325 Ca -0.43 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3g6l h TYR 325 Cb 1.31 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.45 3g6l h TYR 325 CO 0.50 0.21 0.00 0.36 -1.64 0.00 0.00 178.16 177.59 3g6l n LYS 326 N -4.48 0.01 -0.14 1.82 2.85 0.15 -1.56 118.16 116.81 3g6l n LYS 326 Ca 0.06 0.33 0.09 0.00 -1.05 0.00 0.00 58.31 57.75 3g6l n LYS 326 Cb 0.24 -1.52 0.16 0.00 -0.65 0.00 0.00 35.03 33.26 3g6l n LYS 326 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3g6l n VAL 327 N -1.55 0.48 -4.50 0.58 0.24 -0.91 -4.93 118.33 107.74 3g6l n VAL 327 Ca 0.02 -0.74 -0.31 0.00 -2.04 0.00 0.00 64.34 61.28 3g6l n VAL 327 Cb 0.12 0.96 -0.12 0.00 -1.47 0.00 0.00 33.84 33.34 3g6l n VAL 327 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g6l s LEU 328 N -1.29 2.81 0.57 1.34 1.43 -0.60 -4.00 118.68 118.94 3g6l s LEU 328 Ca 0.30 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 3g6l s LEU 328 Cb 0.18 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 3g6l s LEU 328 CO 0.25 0.24 1.02 -2.16 0.23 0.00 0.00 176.35 175.92 3g6l s PRO 329 N -1.65 3.67 0.39 1.29 0.04 -1.26 -5.00 135.00 132.48 3g6l s PRO 329 Ca 0.17 0.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.10 3g6l s PRO 329 Cb -0.11 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3g6l s PRO 329 CO 0.08 -0.51 0.67 0.15 0.04 0.00 0.00 177.00 177.43 3g6l s LYS 330 N -4.46 3.60 0.23 4.56 -0.14 -1.26 -5.01 119.74 117.26 3g6l s LYS 330 Ca 0.58 0.08 -0.31 0.00 -1.36 0.00 0.00 55.97 54.97 3g6l s LYS 330 Cb -0.11 -2.51 -0.14 0.00 -1.68 0.00 0.00 37.83 33.38 3g6l s LYS 330 CO 0.40 0.02 1.24 0.00 -0.76 0.00 0.00 175.35 176.25 3g6l n ALA 331 N -1.62 0.18 -0.10 5.17 0.00 -1.26 -1.95 120.51 120.93 3g6l n ALA 331 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3g6l n ALA 331 Cb 0.55 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3g6l n ALA 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6l n GLY 332 N 1.85 1.33 3.80 0.00 0.00 -1.26 -5.04 105.19 105.87 3g6l n GLY 332 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3g6l n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6l s ALA 333 N -2.59 3.64 -0.12 4.61 0.00 -0.82 -4.39 121.76 122.08 3g6l s ALA 333 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3g6l s ALA 333 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3g6l s ALA 333 CO 0.00 0.62 0.07 0.95 0.00 0.00 0.00 175.76 177.41 3g6l s THR 334 N -1.01 4.94 -0.09 0.00 -4.23 -0.33 -4.81 115.64 110.11 3g6l s THR 334 Ca 0.16 -0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 3g6l s THR 334 Cb -0.12 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 3g6l s THR 334 CO 0.05 0.58 0.96 -0.69 -0.54 0.00 0.00 174.62 174.98 3g6l s VAL 335 N -0.67 4.83 -0.07 2.29 1.01 -1.26 -0.64 120.40 125.88 3g6l s VAL 335 Ca 0.12 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.09 3g6l s VAL 335 Cb -0.12 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3g6l s VAL 335 CO 0.02 0.05 -0.18 -0.63 0.00 0.00 0.00 175.10 174.37 3g6l s ILE 336 N 1.77 2.72 -0.21 2.22 1.01 0.26 -4.99 121.20 123.98 3g6l s ILE 336 Ca 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 3g6l s ILE 336 Cb -0.19 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 3g6l s ILE 336 CO 0.19 0.57 -0.05 -0.89 0.00 0.00 0.00 174.94 174.76 3g6l s THR 337 N -0.26 3.37 -0.48 2.92 2.01 -1.26 -1.42 115.64 120.52 3g6l s THR 337 Ca 0.01 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 3g6l s THR 337 Cb -0.13 -2.52 0.09 0.00 0.01 0.00 0.00 72.50 69.96 3g6l s THR 337 CO 0.03 0.44 0.38 -0.62 -0.69 0.00 0.00 174.62 174.16 3g6l s ASP 338 N 1.30 6.00 0.36 3.53 -1.08 -0.17 -4.96 116.67 121.65 3g6l s ASP 338 Ca 0.04 -1.53 0.20 0.00 -0.52 0.00 0.00 52.55 50.73 3g6l s ASP 338 Cb -0.14 -2.13 0.46 0.00 -1.46 0.00 0.00 42.92 39.64 3g6l s ASP 338 CO -0.02 -0.68 1.62 0.77 0.52 0.00 0.00 175.17 177.39 3g6l h SER 339 N 8.68 0.00 -0.24 -0.34 4.64 -1.97 -0.68 113.55 123.63 3g6l h SER 339 Ca -0.27 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.91 3g6l h SER 339 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3g6l h SER 339 CO 0.89 0.33 -0.41 0.00 -0.87 0.00 0.00 176.83 176.77 3g6l h ALA 340 N 1.67 0.38 0.00 5.18 0.00 -1.95 -3.14 119.26 121.39 3g6l h ALA 340 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3g6l h ALA 340 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3g6l h ALA 340 CO 0.04 0.49 -0.32 0.00 0.00 0.00 0.00 179.25 179.46 3g6l n ALA 341 N -2.53 2.63 -2.80 0.00 0.00 -1.22 -4.70 120.51 111.89 3g6l n ALA 341 Ca -0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 3g6l n ALA 341 Cb 0.55 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.74 3g6l n ALA 341 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6l n GLY 342 N 1.33 -0.46 3.28 0.00 0.00 -0.34 -0.69 105.19 108.31 3g6l n GLY 342 Ca 0.04 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 3g6l n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6l s ALA 343 N -3.27 -0.82 0.18 4.61 0.00 -0.75 -1.35 121.76 120.35 3g6l s ALA 343 Ca 0.25 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.50 3g6l s ALA 343 Cb -0.03 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3g6l s ALA 343 CO 0.52 -0.39 -0.22 0.95 0.00 0.00 0.00 175.76 176.62 3g6l s THR 344 N -2.25 2.15 0.01 0.00 -4.23 -1.26 -1.00 115.64 109.06 3g6l s THR 344 Ca -0.07 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.19 3g6l s THR 344 Cb -0.02 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.87 3g6l s THR 344 CO -0.01 -0.19 0.60 -0.72 -0.54 0.00 0.00 174.62 173.76 3g6l s TYR 345 N -1.80 -0.55 -0.02 3.99 -0.85 -0.51 -3.38 117.35 114.23 3g6l s TYR 345 Ca 0.19 0.78 -0.09 0.00 -0.52 0.00 0.00 57.07 57.43 3g6l s TYR 345 Cb -0.07 0.40 -0.05 0.00 0.38 0.00 0.00 41.96 42.62 3g6l s TYR 345 CO 0.09 -0.64 0.28 -1.54 -1.52 0.00 0.00 175.55 172.21 3g6l s SER 346 N -1.64 6.55 -0.05 -0.18 1.04 -0.60 0.91 113.70 119.74 3g6l s SER 346 Ca -0.08 0.65 0.01 0.00 0.48 0.00 0.00 55.95 57.01 3g6l s SER 346 Cb -0.01 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 64.01 3g6l s SER 346 CO 0.03 0.31 -0.04 -0.47 0.98 0.00 0.00 173.24 174.04 3g6l s TYR 347 N -1.18 0.78 -0.38 5.02 5.04 0.18 -1.29 117.35 125.53 3g6l s TYR 347 Ca 0.23 -0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 3g6l s TYR 347 Cb -0.14 -0.70 0.04 0.00 0.35 0.00 0.00 41.96 41.51 3g6l s TYR 347 CO 0.12 -0.21 0.19 0.34 -1.34 0.00 0.00 175.55 174.65 3g6l s ASP 348 N 1.01 5.62 0.54 4.32 -1.08 -0.32 -1.18 116.67 125.58 3g6l s ASP 348 Ca -0.10 -1.13 0.27 0.00 -0.52 0.00 0.00 52.55 51.08 3g6l s ASP 348 Cb -0.14 -1.98 1.55 0.00 -1.46 0.00 0.00 42.92 40.89 3g6l s ASP 348 CO -0.00 -0.40 2.13 0.77 0.52 0.00 0.00 175.17 178.18 3g6l h SER 349 N 8.38 0.00 0.08 -0.34 4.64 -1.88 0.12 113.55 124.55 3g6l h SER 349 Ca -0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.90 3g6l h SER 349 Cb 1.09 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3g6l h SER 349 CO 0.67 0.08 -0.73 0.77 -0.87 0.00 0.00 176.83 176.76 3g6l h SER 350 N 0.00 0.51 0.03 4.97 4.64 -1.94 -3.29 113.55 118.46 3g6l h SER 350 Ca -0.00 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 3g6l h SER 350 Cb 0.22 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3g6l h SER 350 CO 0.01 1.32 -0.19 -1.54 -0.87 0.00 0.00 176.83 175.56 3g6l n SER 351 N -4.16 2.01 -3.85 4.97 3.41 -1.20 -4.97 113.62 109.82 3g6l n SER 351 Ca -0.12 -1.54 -0.24 0.00 -0.26 0.00 0.00 58.87 56.71 3g6l n SER 351 Cb 0.76 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 3g6l n SER 351 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3g6l n ARG 352 N 0.31 -4.08 -4.33 4.33 1.74 0.34 -3.79 116.66 111.19 3g6l n ARG 352 Ca 0.13 0.50 -0.34 0.00 -0.77 0.00 0.00 57.85 57.38 3g6l n ARG 352 Cb 0.46 -4.86 -0.14 0.00 -1.02 0.00 0.00 32.46 26.90 3g6l n ARG 352 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3g6l s THR 353 N -3.79 3.39 -0.09 0.55 2.01 -0.82 -0.17 115.64 116.73 3g6l s THR 353 Ca 0.06 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.54 3g6l s THR 353 Cb -0.03 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3g6l s THR 353 CO 0.85 0.48 -0.09 -0.32 -0.69 0.00 0.00 174.62 174.85 3g6l s MET 354 N 0.81 2.98 -0.16 4.92 0.00 -0.13 -1.17 119.30 126.55 3g6l s MET 354 Ca -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 55.69 55.07 3g6l s MET 354 Cb -0.15 -2.62 0.04 0.00 0.00 0.00 0.00 34.83 32.10 3g6l s MET 354 CO 0.01 0.50 -0.08 0.42 0.00 0.00 0.00 175.02 175.88 3g6l s ILE 355 N -0.38 1.27 -0.36 10.11 1.01 -0.41 -0.46 121.20 131.98 3g6l s ILE 355 Ca 0.05 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 3g6l s ILE 355 Cb -0.12 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3g6l s ILE 355 CO 0.02 0.20 0.75 -0.55 0.00 0.00 0.00 174.94 175.37 3g6l s SER 356 N 1.57 6.53 0.29 3.58 0.15 -0.58 -1.55 113.70 123.69 3g6l s SER 356 Ca 0.01 0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.85 3g6l s SER 356 Cb -0.15 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 3g6l s SER 356 CO -0.08 -0.69 0.60 -0.72 1.20 0.00 0.00 173.24 173.55 3g6l s TYR 357 N 3.01 0.22 -0.23 3.44 -0.85 -1.22 -0.68 117.35 121.04 3g6l s TYR 357 Ca 0.30 -0.65 -0.09 0.00 -0.52 0.00 0.00 57.07 56.11 3g6l s TYR 357 Cb -0.14 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 3g6l s TYR 357 CO 0.16 -1.18 0.11 -0.51 -1.52 0.00 0.00 175.55 172.62 3g6l s ASP 358 N -3.02 5.70 0.71 -0.18 1.01 -1.26 -4.22 116.67 115.41 3g6l s ASP 358 Ca 0.19 -0.00 -0.11 0.00 0.71 0.00 0.00 52.55 53.33 3g6l s ASP 358 Cb -0.03 -2.02 0.02 0.00 1.01 0.00 0.00 42.92 41.90 3g6l s ASP 358 CO 0.10 0.05 1.09 0.42 0.21 0.00 0.00 175.17 177.04 3g6l s THR 359 N 1.14 3.32 0.22 -1.27 -4.23 -1.26 -4.91 115.64 108.65 3g6l s THR 359 Ca 0.06 0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 60.87 3g6l s THR 359 Cb -0.14 -3.42 0.17 0.00 1.34 0.00 0.00 72.50 70.46 3g6l s THR 359 CO 0.04 -0.54 1.73 -0.65 -0.54 0.00 0.00 174.62 174.67 3g6l h PRO 360 N -0.66 0.39 -0.23 3.99 0.11 -1.94 -1.46 132.00 132.20 3g6l h PRO 360 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3g6l h PRO 360 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3g6l h PRO 360 CO 0.64 0.25 0.08 -0.44 -0.21 0.00 0.00 178.00 178.33 3g6l h ASP 361 N 0.40 0.28 -0.62 -2.05 5.19 -1.99 -1.76 116.42 115.87 3g6l h ASP 361 Ca 0.35 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.64 3g6l h ASP 361 Cb 0.48 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 3g6l h ASP 361 CO -0.36 0.27 0.02 -0.03 -3.12 0.00 0.00 179.24 176.02 3g6l h MET 362 N 0.32 1.08 -0.46 3.56 4.05 -1.70 -1.16 114.93 120.63 3g6l h MET 362 Ca 0.08 -0.33 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 3g6l h MET 362 Cb 0.08 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 3g6l h MET 362 CO -0.01 1.04 0.27 0.28 0.23 0.00 0.00 176.91 178.72 3g6l h VAL 363 N 0.99 1.15 -0.82 -5.77 2.07 -0.80 0.46 116.25 113.53 3g6l h VAL 363 Ca 0.18 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.42 3g6l h VAL 363 Cb 0.54 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3g6l h VAL 363 CO 0.03 0.15 0.49 0.03 0.02 0.00 0.00 177.57 178.29 3g6l h ARG 364 N 0.61 0.84 -0.32 1.57 3.08 -1.09 0.01 114.38 119.07 3g6l h ARG 364 Ca 0.16 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 3g6l h ARG 364 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3g6l h ARG 364 CO -0.03 0.56 -0.10 1.15 -1.07 0.00 0.00 179.97 180.47 3g6l h THR 365 N 0.87 1.28 -0.80 2.04 2.02 -0.63 -0.97 112.91 116.71 3g6l h THR 365 Ca 0.37 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3g6l h THR 365 Cb 0.25 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3g6l h THR 365 CO -0.20 0.38 0.45 0.11 0.37 0.00 0.00 175.52 176.63 3g6l h LYS 366 N 0.41 1.11 -0.44 6.66 1.57 -0.56 -1.23 116.57 124.10 3g6l h LYS 366 Ca 0.08 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3g6l h LYS 366 Cb 0.61 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3g6l h LYS 366 CO 0.04 0.81 0.21 0.28 -0.57 0.00 0.00 179.45 180.22 3g6l h VAL 367 N 1.11 1.18 -0.66 0.50 2.07 -0.80 -0.90 116.25 118.75 3g6l h VAL 367 Ca 0.28 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3g6l h VAL 367 Cb 0.01 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3g6l h VAL 367 CO -0.05 0.19 0.40 -1.28 0.02 0.00 0.00 177.57 176.86 3g6l h SER 368 N 0.56 0.65 -0.67 0.57 0.87 -0.93 0.13 113.55 114.73 3g6l h SER 368 Ca 0.15 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3g6l h SER 368 Cb 0.11 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3g6l h SER 368 CO -0.02 0.45 0.38 0.22 -0.53 0.00 0.00 176.83 177.33 3g6l h TYR 369 N 0.78 0.91 -0.51 2.24 3.20 -0.94 -2.92 116.97 119.74 3g6l h TYR 369 Ca 0.27 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 3g6l h TYR 369 Cb 0.05 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3g6l h TYR 369 CO -0.05 0.64 0.03 0.00 -1.64 0.00 0.00 178.16 177.14 3g6l h ALA 370 N 1.19 0.69 -0.99 1.82 0.00 -0.58 -2.79 119.26 118.60 3g6l h ALA 370 Ca 0.24 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3g6l h ALA 370 Cb 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 3g6l h ALA 370 CO -0.04 0.48 0.64 0.87 0.00 0.00 0.00 179.25 181.20 3g6l h LYS 371 N 0.76 1.13 0.00 0.00 1.57 -0.96 0.49 116.57 119.56 3g6l h LYS 371 Ca 0.15 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3g6l h LYS 371 Cb 0.48 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3g6l h LYS 371 CO 0.02 0.75 -0.25 0.78 -0.57 0.00 0.00 179.45 180.18 3g6l h GLY 372 N 1.17 0.00 -0.13 3.86 0.00 -1.30 -2.54 103.07 104.13 3g6l h GLY 372 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3g6l h GLY 372 CO -0.16 0.00 -0.49 1.04 0.00 0.00 0.00 176.54 176.93 3g6l n LEU 373 N -3.96 1.30 -2.50 3.11 4.77 -0.93 -5.00 117.00 113.79 3g6l n LEU 373 Ca -0.02 -0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 55.35 3g6l n LEU 373 Cb 0.33 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3g6l n LEU 373 CO 0.35 0.26 0.03 0.61 -1.33 0.00 0.00 177.39 177.31 3g6l n GLY 374 N 1.42 -0.26 3.64 -0.72 0.00 0.05 -4.85 105.19 104.46 3g6l n GLY 374 Ca 0.09 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3g6l n GLY 374 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g6l n LEU 375 N -3.36 2.72 0.18 0.99 4.77 -0.51 -3.12 117.00 118.69 3g6l n LEU 375 Ca -0.08 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.38 3g6l n LEU 375 Cb 0.59 -1.45 0.25 0.00 -2.33 0.00 0.00 43.42 40.48 3g6l n LEU 375 CO 0.39 -2.33 0.84 1.23 -1.33 0.00 0.00 177.39 176.19 3g6l h GLY 376 N -1.97 0.00 0.00 -0.72 0.00 -0.82 -3.45 103.07 96.10 3g6l h GLY 376 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3g6l h GLY 376 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.56 3g6l n GLY 377 N 1.16 -0.14 3.60 4.60 0.00 -1.26 -1.33 105.19 111.83 3g6l n GLY 377 Ca 0.04 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 3g6l n GLY 377 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6l s SER 378 N -4.00 4.39 0.03 1.61 0.01 0.54 -1.05 113.70 115.23 3g6l s SER 378 Ca 0.00 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.67 3g6l s SER 378 Cb 0.00 -0.78 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 3g6l s SER 378 CO 0.00 0.06 -0.06 -0.32 0.41 0.00 0.00 173.24 173.34 3g6l s MET 379 N -3.19 0.42 -0.02 12.44 0.00 0.22 -0.88 119.30 128.29 3g6l s MET 379 Ca 0.28 -0.67 0.02 0.00 0.00 0.00 0.00 55.69 55.32 3g6l s MET 379 Cb -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 34.83 34.64 3g6l s MET 379 CO 0.17 0.01 -0.05 -0.06 0.00 0.00 0.00 175.02 175.09 3g6l s PHE 380 N -1.36 0.63 -0.23 4.11 0.08 -0.19 0.34 117.98 121.35 3g6l s PHE 380 Ca -0.12 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.74 3g6l s PHE 380 Cb -0.10 -0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 3g6l s PHE 380 CO -0.00 -0.09 -0.01 -0.46 -0.10 0.00 0.00 175.22 174.56 3g6l s TRP 381 N 0.33 3.01 0.28 0.36 -0.11 -1.06 -0.85 118.94 120.90 3g6l s TRP 381 Ca -0.04 -0.88 0.03 0.00 1.22 0.00 0.00 56.10 56.44 3g6l s TRP 381 Cb -0.08 -2.14 -0.04 0.00 -1.50 0.00 0.00 33.47 29.71 3g6l s TRP 381 CO -0.00 -0.53 0.19 -1.83 -4.62 0.00 0.00 176.95 170.16 3g6l s GLU 382 N 1.50 1.53 0.18 5.86 4.04 -1.26 -0.44 118.70 130.10 3g6l s GLU 382 Ca 0.05 -1.86 -0.13 0.00 0.04 0.00 0.00 54.97 53.07 3g6l s GLU 382 Cb -0.15 0.15 0.12 0.00 0.02 0.00 0.00 34.13 34.27 3g6l s GLU 382 CO -0.01 -0.50 1.80 0.00 -1.84 0.00 0.00 175.26 174.70 3g6l h ALA 383 N 2.31 0.64 0.00 -0.84 0.00 -1.27 -3.27 119.26 116.84 3g6l h ALA 383 Ca -0.31 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3g6l h ALA 383 Cb 1.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3g6l h ALA 383 CO 0.47 -0.06 -0.27 0.66 0.00 0.00 0.00 179.25 180.06 3g6l h SER 384 N 0.54 0.00 0.23 0.00 4.64 -1.96 -2.82 113.55 114.18 3g6l h SER 384 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3g6l h SER 384 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3g6l h SER 384 CO -0.13 0.27 -0.05 0.00 -0.87 0.00 0.00 176.83 176.04 3g6l n ALA 385 N -2.46 2.68 -1.81 5.18 0.00 -1.23 -4.91 120.51 117.96 3g6l n ALA 385 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 3g6l n ALA 385 Cb 0.32 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3g6l n ALA 385 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g6l s ASP 386 N -2.29 6.64 0.98 0.00 2.15 -1.07 -0.68 116.67 122.41 3g6l s ASP 386 Ca 0.35 1.74 -0.12 0.00 0.43 0.00 0.00 52.55 54.95 3g6l s ASP 386 Cb 0.21 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.47 3g6l s ASP 386 CO 0.43 -0.57 1.09 -0.54 -0.17 0.00 0.00 175.17 175.41 3g6l s LYS 387 N -3.43 0.56 0.36 4.34 1.02 -1.26 -4.69 119.74 116.63 3g6l s LYS 387 Ca 0.63 0.57 0.08 0.00 0.02 0.00 0.00 55.97 57.27 3g6l s LYS 387 Cb -0.12 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 3g6l s LYS 387 CO 0.20 -2.66 0.31 0.95 -0.92 0.00 0.00 175.35 173.24 3g6l s THR 388 N -2.96 3.30 0.00 2.17 -4.23 -1.26 -3.86 115.64 108.81 3g6l s THR 388 Ca 0.65 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 3g6l s THR 388 Cb -0.18 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3g6l s THR 388 CO 0.57 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 3g6l n GLY 389 N -1.41 0.60 0.21 3.99 0.00 -1.26 -3.56 105.19 103.75 3g6l n GLY 389 Ca -0.00 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.25 3g6l n GLY 389 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g6l h SER 390 N 4.26 0.00 0.31 1.61 4.64 -1.99 -1.53 113.55 120.85 3g6l h SER 390 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g6l h SER 390 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3g6l h SER 390 CO 0.00 0.30 0.00 0.47 -0.87 0.00 0.00 176.83 176.73 3g6l n ASP 391 N -3.99 0.00 -4.66 4.97 8.00 -1.24 -4.32 116.55 115.30 3g6l n ASP 391 Ca -0.02 0.14 -0.47 0.00 0.71 0.00 0.00 54.79 55.16 3g6l n ASP 391 Cb 0.36 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 3g6l n ASP 391 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3g6l n SER 392 N -1.32 2.92 -0.14 -2.24 2.88 -0.58 -4.54 113.62 110.60 3g6l n SER 392 Ca 0.06 1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 58.58 3g6l n SER 392 Cb 0.13 -1.40 -0.01 0.00 -0.75 0.00 0.00 64.21 62.17 3g6l n SER 392 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3g6l h LEU 393 N 5.77 0.81 -0.25 2.46 3.38 -1.85 0.11 115.31 125.75 3g6l h LEU 393 Ca -0.45 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.17 3g6l h LEU 393 Cb 1.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3g6l h LEU 393 CO 0.87 0.99 0.14 0.40 0.09 0.00 0.00 178.44 180.93 3g6l h ILE 394 N 0.62 1.02 -0.58 1.22 2.04 -1.93 -0.17 117.51 119.74 3g6l h ILE 394 Ca 0.10 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3g6l h ILE 394 Cb 0.63 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3g6l h ILE 394 CO 0.04 0.05 0.35 1.23 0.00 0.00 0.00 178.15 179.82 3g6l h GLY 395 N 0.29 0.84 0.88 5.37 0.00 -1.89 -2.17 103.07 106.39 3g6l h GLY 395 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3g6l h GLY 395 CO -0.05 0.34 0.05 -0.84 0.00 0.00 0.00 176.54 176.04 3g6l h THR 396 N 0.78 1.15 -0.29 4.70 2.02 -0.73 -0.42 112.91 120.13 3g6l h THR 396 Ca 0.21 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 67.01 3g6l h THR 396 Cb -0.01 1.20 -0.08 0.00 -1.74 0.00 0.00 68.15 67.52 3g6l h THR 396 CO -0.04 0.13 -0.38 0.00 0.37 0.00 0.00 175.52 175.60 3g6l h ALA 397 N 0.90 -0.40 -0.93 6.16 0.00 -0.97 -0.01 119.26 124.00 3g6l h ALA 397 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3g6l h ALA 397 Cb 0.16 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3g6l h ALA 397 CO -0.00 -0.84 0.61 1.25 0.00 0.00 0.00 179.25 180.27 3g6l h LEU 398 N -0.36 1.04 -0.71 0.00 5.85 -1.29 0.70 115.31 120.53 3g6l h LEU 398 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3g6l h LEU 398 Cb 0.58 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3g6l h LEU 398 CO -0.48 0.74 0.46 0.28 -0.34 0.00 0.00 178.44 179.10 3g6l h SER 399 N 1.22 0.83 0.32 1.25 0.02 -0.39 -0.41 113.55 116.39 3g6l h SER 399 Ca 0.35 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.13 3g6l h SER 399 Cb -0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3g6l h SER 399 CO -0.09 0.61 -0.57 0.28 -1.14 0.00 0.00 176.83 175.92 3g6l h SER 400 N 0.97 0.29 0.30 3.07 0.02 -0.67 -3.26 113.55 114.28 3g6l h SER 400 Ca 0.26 -0.16 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 3g6l h SER 400 Cb -0.09 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3g6l h SER 400 CO -0.05 0.80 -0.94 0.24 -1.14 0.00 0.00 176.83 175.73 3g6l h MET 401 N 0.20 0.44 0.00 3.45 2.07 -0.22 -3.48 114.93 117.38 3g6l h MET 401 Ca -0.00 -0.47 0.00 0.00 -2.07 0.00 0.00 59.70 57.16 3g6l h MET 401 Cb 1.06 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.93 3g6l h MET 401 CO 0.09 1.12 0.00 0.41 1.07 0.00 0.00 176.91 179.60 3g6l n GLY 402 N 0.95 2.02 3.42 8.32 0.00 -0.22 -4.88 105.19 114.79 3g6l n GLY 402 Ca -0.07 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 3g6l n GLY 402 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g6l s SER 403 N -4.00 2.82 -0.08 1.61 1.04 -1.26 -4.89 113.70 108.94 3g6l s SER 403 Ca 0.00 -1.14 -0.13 0.00 0.48 0.00 0.00 55.95 55.16 3g6l s SER 403 Cb 0.00 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 3g6l s SER 403 CO 0.00 -0.27 0.33 -2.28 0.98 0.00 0.00 173.24 171.99 3g6l s HIS 404 N -2.95 3.61 -0.21 5.02 2.46 -1.26 -1.53 115.29 120.43 3g6l s HIS 404 Ca 0.28 0.77 -0.19 0.00 0.47 0.00 0.00 55.06 56.39 3g6l s HIS 404 Cb 0.02 -2.26 -0.08 0.00 -0.13 0.00 0.00 32.58 30.13 3g6l s HIS 404 CO 0.11 0.50 0.71 -3.47 -2.47 0.00 0.00 174.74 170.12 3g6l n ASP 405 N 2.53 0.46 -0.11 9.88 2.03 -0.02 -4.50 116.55 126.83 3g6l n ASP 405 Ca -0.14 0.45 0.14 0.00 0.52 0.00 0.00 54.79 55.77 3g6l n ASP 405 Cb 0.53 -0.37 0.64 0.00 -0.72 0.00 0.00 41.12 41.20 3g6l n ASP 405 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3g6l n SER 406 N 1.94 0.44 -4.60 1.67 3.41 0.19 -4.81 113.62 111.87 3g6l n SER 406 Ca 0.15 -0.61 -0.47 0.00 -0.26 0.00 0.00 58.87 57.68 3g6l n SER 406 Cb -0.02 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 3g6l n SER 406 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g6l n THR 407 N -0.93 0.43 -1.97 6.66 -1.04 -1.26 -4.87 114.28 111.29 3g6l n THR 407 Ca 0.15 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 3g6l n THR 407 Cb 0.27 -2.05 0.02 0.00 -1.82 0.00 0.00 70.33 66.74 3g6l n THR 407 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3g6l s GLN 408 N 5.30 3.19 0.79 -2.82 -1.52 -1.26 -4.43 119.66 118.91 3g6l s GLN 408 Ca 0.99 1.26 -0.06 0.00 -1.95 0.00 0.00 55.36 55.60 3g6l s GLN 408 Cb -0.61 -2.01 0.14 0.00 -0.22 0.00 0.00 33.01 30.31 3g6l s GLN 408 CO 0.46 -0.92 1.10 0.54 -0.25 0.00 0.00 175.29 176.21 3g6l s ASN 409 N -2.72 4.02 -0.19 5.90 2.20 0.15 -4.97 114.94 119.33 3g6l s ASN 409 Ca 0.65 -0.08 -0.09 0.00 -0.94 0.00 0.00 52.86 52.39 3g6l s ASN 409 Cb -0.17 -0.23 -0.05 0.00 -2.00 0.00 0.00 41.25 38.81 3g6l s ASN 409 CO 0.38 -2.10 0.11 0.00 -2.94 0.00 0.00 177.10 172.55 3g6l n LEU 411 N 3.44 2.56 -3.92 0.00 4.77 -1.26 -4.94 117.00 117.65 3g6l n LEU 411 Ca -0.16 -3.73 -0.29 0.00 -0.03 0.00 0.00 56.01 51.80 3g6l n LEU 411 Cb 0.52 -0.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 3g6l n LEU 411 CO 0.36 1.31 -0.43 -0.55 -1.33 0.00 0.00 177.39 176.75 3g6l s SER 412 N -3.13 3.06 -0.45 -1.43 0.15 -1.26 -4.80 113.70 105.85 3g6l s SER 412 Ca 0.37 -0.77 0.09 0.00 0.70 0.00 0.00 55.95 56.35 3g6l s SER 412 Cb 0.37 -1.01 0.32 0.00 -1.71 0.00 0.00 66.02 63.99 3g6l s SER 412 CO -0.07 -0.18 0.74 -1.22 1.20 0.00 0.00 173.24 173.71 3g6l n TYR 413 N 4.81 1.26 0.29 3.44 4.01 -1.26 -4.83 117.16 124.88 3g6l n TYR 413 Ca -0.13 -3.84 0.14 0.00 -0.16 0.00 0.00 57.90 53.91 3g6l n TYR 413 Cb 0.47 -0.43 0.85 0.00 -0.31 0.00 0.00 39.34 39.91 3g6l n TYR 413 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3g6l h PRO 414 N 3.30 0.00 -0.58 -0.72 0.13 -1.83 -2.11 132.00 130.19 3g6l h PRO 414 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3g6l h PRO 414 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3g6l h PRO 414 CO 0.60 0.02 0.00 -1.71 -0.23 0.00 0.00 178.00 176.68 3g6l n ASN 415 N -3.90 3.07 -4.75 1.44 4.05 -1.26 -4.95 115.26 108.96 3g6l n ASN 415 Ca -0.03 -2.00 -0.41 0.00 0.45 0.00 0.00 54.58 52.59 3g6l n ASN 415 Cb 0.11 -0.38 -0.02 0.00 1.23 0.00 0.00 39.78 40.72 3g6l n ASN 415 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 3g6l s SER 416 N -1.00 6.56 0.12 1.20 0.15 -0.79 -4.82 113.70 115.11 3g6l s SER 416 Ca 0.38 2.76 0.21 0.00 0.70 0.00 0.00 55.95 60.00 3g6l s SER 416 Cb 0.20 -2.63 0.85 0.00 -1.71 0.00 0.00 66.02 62.73 3g6l s SER 416 CO 0.26 -0.78 1.64 2.29 1.20 0.00 0.00 173.24 177.86 3g6l n LYS 417 N 2.37 0.10 -3.54 5.44 2.85 -1.26 -4.63 118.16 119.49 3g6l n LYS 417 Ca 0.08 0.28 -0.40 0.00 -1.05 0.00 0.00 58.31 57.21 3g6l n LYS 417 Cb 0.39 -1.67 -0.11 0.00 -0.65 0.00 0.00 35.03 33.00 3g6l n LYS 417 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3g6l s PHE 418 N -3.13 3.23 0.20 5.58 0.08 -1.26 -4.75 117.98 117.93 3g6l s PHE 418 Ca 0.07 -0.18 -0.11 0.00 0.12 0.00 0.00 56.93 56.83 3g6l s PHE 418 Cb 0.11 -2.47 0.24 0.00 -0.57 0.00 0.00 43.02 40.33 3g6l s PHE 418 CO 0.38 -0.34 1.72 -0.44 -0.10 0.00 0.00 175.22 176.44 3g6l h ASP 419 N 8.48 0.06 0.13 1.36 3.32 -0.78 -1.12 116.42 127.87 3g6l h ASP 419 Ca -0.32 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3g6l h ASP 419 Cb 1.16 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3g6l h ASP 419 CO 0.63 0.05 -0.22 -0.55 -1.72 0.00 0.00 179.24 177.43 3g6l h ASN 420 N 0.29 0.17 0.05 6.45 -1.07 -1.89 -1.36 115.58 118.21 3g6l h ASN 420 Ca 0.28 -0.04 -0.18 0.00 0.07 0.00 0.00 56.30 56.43 3g6l h ASN 420 Cb 0.38 -0.04 0.02 0.00 -2.07 0.00 0.00 38.32 36.61 3g6l h ASN 420 CO -0.34 0.40 -0.75 0.40 0.07 0.00 0.00 177.43 177.20 3g6l h ILE 421 N 0.16 1.42 0.00 6.14 1.08 -1.76 0.44 117.51 125.00 3g6l h ILE 421 Ca 0.03 -2.24 -0.02 0.00 -0.39 0.00 0.00 64.86 62.24 3g6l h ILE 421 Cb 0.48 2.75 -0.00 0.00 -3.07 0.00 0.00 36.82 36.98 3g6l h ILE 421 CO 0.03 0.65 -0.08 0.07 -0.69 0.00 0.00 178.15 178.14 3g6l h LYS 422 N -0.10 0.00 -0.29 2.37 2.10 -1.13 -0.58 116.57 118.94 3g6l h LYS 422 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 3g6l h LYS 422 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 3g6l h LYS 422 CO 0.15 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 177.76 3g6l n ASN 423 N -3.67 2.11 -3.50 7.07 5.03 -0.52 -4.66 115.26 117.11 3g6l n ASN 423 Ca -0.02 -1.85 -0.26 0.00 0.87 0.00 0.00 54.58 53.32 3g6l n ASN 423 Cb 0.18 -0.19 0.03 0.00 -1.02 0.00 0.00 39.78 38.78 3g6l n ASN 423 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3g6l n SER 424 N 0.62 -5.08 -2.24 6.41 2.88 -0.23 -1.65 113.62 114.35 3g6l n SER 424 Ca 0.16 -0.52 -0.16 0.00 -1.33 0.00 0.00 58.87 57.02 3g6l n SER 424 Cb 0.37 -4.09 -0.02 0.00 -0.75 0.00 0.00 64.21 59.73 3g6l n SER 424 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3g6l n LEU 425 N -4.31 -1.44 -0.59 2.46 4.77 0.15 -5.02 117.00 113.02 3g6l n LEU 425 Ca -0.02 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 3g6l n LEU 425 Cb 0.56 -2.47 0.43 0.00 -2.33 0.00 0.00 43.42 39.61 3g6l n LEU 425 CO 0.61 -0.30 0.81 -1.20 -1.33 0.00 0.00 177.39 175.98