#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mac s SER 2 N 0.00 7.19 -0.19 1.61 1.04 -1.26 -4.70 113.70 117.38 1mac s SER 2 Ca 0.00 1.99 -0.02 0.00 0.48 0.00 0.00 55.95 58.40 1mac s SER 2 Cb 0.00 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 1mac s SER 2 CO 0.00 -0.18 -0.10 -0.69 0.98 0.00 0.00 173.24 173.25 1mac s VAL 3 N -1.49 2.97 -0.32 5.02 1.01 -1.26 -0.97 120.40 125.36 1mac s VAL 3 Ca 0.50 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1mac s VAL 3 Cb -0.23 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1mac s VAL 3 CO 0.29 0.47 0.58 0.12 0.00 0.00 0.00 175.10 176.56 1mac s PHE 4 N 1.21 3.20 -0.31 5.22 5.36 0.95 -4.93 117.98 128.69 1mac s PHE 4 Ca 0.02 0.43 0.02 0.00 -0.96 0.00 0.00 56.93 56.44 1mac s PHE 4 Cb -0.14 -2.96 0.07 0.00 -0.34 0.00 0.00 43.02 39.65 1mac s PHE 4 CO -0.04 -0.49 -0.01 -0.46 -1.46 0.00 0.00 175.22 172.76 1mac s TRP 5 N 2.52 3.44 -0.33 10.12 -0.11 -1.26 -0.26 118.94 133.07 1mac s TRP 5 Ca 0.23 -2.44 -0.05 0.00 1.22 0.00 0.00 56.10 55.06 1mac s TRP 5 Cb -0.15 -2.39 0.04 0.00 -1.50 0.00 0.00 33.47 29.47 1mac s TRP 5 CO 0.12 -0.89 0.08 -2.00 -4.62 0.00 0.00 176.95 169.64 1mac s GLU 6 N 1.08 2.60 0.00 5.86 2.56 0.12 -4.98 118.70 125.94 1mac s GLU 6 Ca -0.01 -1.18 0.27 0.00 0.00 0.00 0.00 54.97 54.05 1mac s GLU 6 Cb -0.20 -3.39 1.03 0.00 2.00 0.00 0.00 34.13 33.57 1mac s GLU 6 CO -0.05 -0.65 1.73 -0.35 -0.56 0.00 0.00 175.26 175.38 1mac n PRO 7 N 4.77 1.65 -3.96 4.30 -0.04 -1.26 -0.58 135.00 139.88 1mac n PRO 7 Ca -0.13 -0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 62.10 1mac n PRO 7 Cb 0.44 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1mac n PRO 7 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mac n LEU 8 N 0.16 -2.33 0.02 1.53 4.77 -1.26 -4.66 117.00 115.24 1mac n LEU 8 Ca 0.19 -0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 55.13 1mac n LEU 8 Cb 0.34 -2.33 -0.13 0.00 -2.33 0.00 0.00 43.42 38.97 1mac n LEU 8 CO 0.16 0.41 -0.29 0.28 -1.33 0.00 0.00 177.39 176.62 1mac h SER 9 N -1.82 0.09 -5.01 -1.43 0.02 -1.90 -3.32 113.55 100.18 1mac h SER 9 Ca -0.61 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.24 1mac h SER 9 Cb 1.37 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.81 1mac h SER 9 CO 0.65 1.11 0.19 -0.72 -1.14 0.00 0.00 176.83 176.93 1mac s TYR 10 N -2.64 -0.28 -0.23 3.45 1.13 -1.26 -4.72 117.35 112.80 1mac s TYR 10 Ca -0.04 -0.08 -0.29 0.00 -1.41 0.00 0.00 57.07 55.24 1mac s TYR 10 Cb 0.08 0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 41.55 1mac s TYR 10 CO 0.83 -1.07 1.41 0.12 -2.51 0.00 0.00 175.55 174.32 1mac s PHE 11 N -3.86 2.51 -0.40 -3.49 5.36 -1.26 -4.97 117.98 111.86 1mac s PHE 11 Ca 0.08 0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 56.78 1mac s PHE 11 Cb -0.04 -3.84 0.11 0.00 -0.34 0.00 0.00 43.02 38.91 1mac s PHE 11 CO -0.00 -2.20 0.20 1.21 -1.46 0.00 0.00 175.22 172.96 1mac s ASN 12 N 3.05 5.24 0.22 6.13 2.47 -1.26 -4.98 114.94 125.82 1mac s ASN 12 Ca 0.61 -2.01 0.15 0.00 0.42 0.00 0.00 52.86 52.03 1mac s ASN 12 Cb -0.21 -1.82 0.79 0.00 -1.45 0.00 0.00 41.25 38.56 1mac s ASN 12 CO 0.23 -0.53 1.45 -2.65 -3.72 0.00 0.00 177.10 171.88 1mac n PRO 13 N 4.59 0.09 0.07 0.43 -0.02 -1.26 -1.31 135.00 137.59 1mac n PRO 13 Ca -0.02 0.59 -0.06 0.00 -2.02 0.00 0.00 63.50 61.99 1mac n PRO 13 Cb 0.41 -1.81 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1mac n PRO 13 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1mac h SER 14 N 0.00 0.00 0.00 2.55 4.64 -2.03 -3.37 113.55 115.35 1mac h SER 14 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1mac h SER 14 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1mac h SER 14 CO 0.00 0.95 -1.59 0.41 -0.87 0.00 0.00 176.83 175.73 1mac n THR 15 N -3.34 0.32 -4.25 2.95 -1.04 -0.87 -4.81 114.28 103.25 1mac n THR 15 Ca 0.00 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.05 61.52 1mac n THR 15 Cb 0.92 -0.21 -0.11 0.00 -1.82 0.00 0.00 70.33 69.11 1mac n THR 15 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1mac s TRP 16 N -2.51 1.34 -0.00 -1.42 0.52 -0.43 -1.44 118.94 114.99 1mac s TRP 16 Ca -0.04 -0.64 0.02 0.00 0.02 0.00 0.00 56.10 55.46 1mac s TRP 16 Cb 0.05 -0.69 -0.00 0.00 -1.15 0.00 0.00 33.47 31.68 1mac s TRP 16 CO 0.43 0.13 -0.05 -1.83 0.02 0.00 0.00 176.95 175.65 1mac s GLU 17 N -3.13 0.40 -0.24 4.98 -1.05 -0.03 -4.24 118.70 115.39 1mac s GLU 17 Ca 0.12 -0.21 -0.19 0.00 -0.15 0.00 0.00 54.97 54.55 1mac s GLU 17 Cb -0.02 -0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 33.27 1mac s GLU 17 CO 0.02 0.10 0.57 0.15 0.95 0.00 0.00 175.26 177.05 1mac s LYS 18 N -0.19 4.13 0.48 -4.83 1.02 -1.26 -1.55 119.74 117.53 1mac s LYS 18 Ca 0.01 0.45 -0.24 0.00 0.02 0.00 0.00 55.97 56.21 1mac s LYS 18 Cb -0.02 -3.62 -0.07 0.00 -0.52 0.00 0.00 37.83 33.59 1mac s LYS 18 CO -0.00 -0.31 1.43 0.00 -0.92 0.00 0.00 175.35 175.54 1mac n ALA 19 N 5.38 1.98 -3.41 5.17 0.00 -0.77 -4.81 120.51 124.04 1mac n ALA 19 Ca -0.03 0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1mac n ALA 19 Cb 0.50 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 1mac n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mac s ASP 20 N -0.58 -0.52 -1.74 0.00 2.15 -1.26 -3.08 116.67 111.65 1mac s ASP 20 Ca 0.64 0.45 0.00 0.00 0.43 0.00 0.00 52.55 54.07 1mac s ASP 20 Cb -0.44 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 1mac s ASP 20 CO 0.55 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 1mac n GLY 21 N 0.82 0.27 3.71 2.66 0.00 0.09 -4.94 105.19 107.80 1mac n GLY 21 Ca -0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1mac n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mac s TYR 22 N -2.87 -0.21 -0.02 1.61 1.13 -1.22 -4.96 117.35 110.81 1mac s TYR 22 Ca 0.00 -0.18 0.07 0.00 -1.41 0.00 0.00 57.07 55.55 1mac s TYR 22 Cb 0.00 0.60 -0.02 0.00 -1.10 0.00 0.00 41.96 41.45 1mac s TYR 22 CO 0.00 -1.11 -0.23 0.45 -2.51 0.00 0.00 175.55 172.15 1mac s SER 23 N -2.89 2.76 0.15 -0.18 0.15 -1.26 0.60 113.70 113.04 1mac s SER 23 Ca 0.10 -0.43 0.20 0.00 0.70 0.00 0.00 55.95 56.52 1mac s SER 23 Cb -0.04 -0.34 0.85 0.00 -1.71 0.00 0.00 66.02 64.78 1mac s SER 23 CO 0.02 0.28 1.63 0.59 1.20 0.00 0.00 173.24 176.96 1mac n ASN 24 N 2.54 0.41 -1.19 5.45 5.03 -1.26 -4.99 115.26 121.25 1mac n ASN 24 Ca -0.16 0.59 0.11 0.00 0.87 0.00 0.00 54.58 55.99 1mac n ASN 24 Cb 0.52 -0.68 -0.03 0.00 -1.02 0.00 0.00 39.78 38.57 1mac n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mac n GLY 25 N 0.11 -1.53 7.00 7.41 0.00 -1.26 -4.92 105.19 112.00 1mac n GLY 25 Ca 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1mac n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mac n GLY 26 N -2.34 1.05 0.31 -0.02 0.00 -1.26 -3.09 105.19 99.85 1mac n GLY 26 Ca 0.01 -0.67 0.20 0.00 0.00 0.00 0.00 46.02 45.56 1mac n GLY 26 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1mac h VAL 27 N 0.00 0.05 -3.00 1.61 -1.51 -1.92 -3.41 116.25 108.06 1mac h VAL 27 Ca 0.00 -0.20 -0.57 0.00 -1.23 0.00 0.00 66.70 64.70 1mac h VAL 27 Cb 0.00 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 30.31 1mac h VAL 27 CO 0.00 0.01 1.14 -0.36 -1.23 0.00 0.00 177.57 177.12 1mac s PHE 28 N -4.01 2.19 -0.70 5.19 0.40 -1.18 -0.34 117.98 119.53 1mac s PHE 28 Ca -0.03 0.65 -0.02 0.00 -0.60 0.00 0.00 56.93 56.93 1mac s PHE 28 Cb 0.12 -4.18 0.42 0.00 0.51 0.00 0.00 43.02 39.89 1mac s PHE 28 CO 0.47 -2.41 2.04 -1.71 0.70 0.00 0.00 175.22 174.31 1mac n ASN 29 N 9.13 7.65 -3.52 1.36 2.85 -0.75 -4.13 115.26 127.85 1mac n ASN 29 Ca 0.19 -3.78 -0.10 0.00 -0.11 0.00 0.00 54.58 50.78 1mac n ASN 29 Cb 0.47 -1.00 -0.02 0.00 1.24 0.00 0.00 39.78 40.47 1mac n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mac s THR 31 N -3.56 4.62 0.11 0.00 2.01 -0.51 -4.47 115.64 113.85 1mac s THR 31 Ca 0.04 -0.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.63 1mac s THR 31 Cb -0.02 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.37 1mac s THR 31 CO -0.08 0.50 1.40 0.26 -0.69 0.00 0.00 174.62 176.01 1mac s TRP 32 N 0.08 3.22 -0.08 4.92 0.23 0.20 -1.32 118.94 126.18 1mac s TRP 32 Ca 0.04 0.92 0.03 0.00 -2.03 0.00 0.00 56.10 55.07 1mac s TRP 32 Cb -0.12 -3.70 0.01 0.00 0.03 0.00 0.00 33.47 29.68 1mac s TRP 32 CO 0.01 -2.46 -0.19 1.03 0.96 0.00 0.00 176.95 176.30 1mac s ARG 33 N 1.15 2.46 0.59 4.98 1.81 -0.74 -0.73 118.95 128.47 1mac s ARG 33 Ca 0.65 -0.68 0.29 0.00 -1.72 0.00 0.00 55.73 54.27 1mac s ARG 33 Cb -0.37 -1.91 1.80 0.00 -0.45 0.00 0.00 34.95 34.01 1mac s ARG 33 CO 0.30 0.12 2.24 0.00 -0.68 0.00 0.00 175.30 177.28 1mac h ALA 34 N 6.80 1.57 0.00 2.13 0.00 -1.85 -0.67 119.26 127.23 1mac h ALA 34 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mac h ALA 34 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mac h ALA 34 CO 0.47 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.78 1mac n ASN 35 N -3.85 0.00 -1.04 0.00 5.03 -1.26 -2.07 115.26 112.06 1mac n ASN 35 Ca -0.02 0.22 0.12 0.00 0.87 0.00 0.00 54.58 55.77 1mac n ASN 35 Cb 0.11 -0.38 0.23 0.00 -1.02 0.00 0.00 39.78 38.72 1mac n ASN 35 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1mac n ASN 36 N -1.38 3.13 -4.33 6.41 4.13 -0.26 -4.75 115.26 118.21 1mac n ASN 36 Ca 0.07 -1.95 -0.45 0.00 1.68 0.00 0.00 54.58 53.93 1mac n ASN 36 Cb 0.18 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.16 1mac n ASN 36 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1mac s VAL 37 N -1.60 5.10 0.36 2.41 1.01 -0.88 -0.99 120.40 125.80 1mac s VAL 37 Ca 0.37 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1mac s VAL 37 Cb 0.22 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1mac s VAL 37 CO 0.31 -0.74 0.03 0.20 0.00 0.00 0.00 175.10 174.90 1mac s ASN 38 N 3.09 3.05 -0.10 3.32 0.01 0.73 -4.98 114.94 120.06 1mac s ASN 38 Ca 0.04 -1.36 0.02 0.00 -0.71 0.00 0.00 52.86 50.85 1mac s ASN 38 Cb -0.27 -0.23 0.01 0.00 0.41 0.00 0.00 41.25 41.18 1mac s ASN 38 CO 0.04 -0.51 -0.14 -0.36 -1.51 0.00 0.00 177.10 174.62 1mac s PHE 39 N -3.02 1.79 0.99 2.20 0.40 -1.26 0.92 117.98 120.00 1mac s PHE 39 Ca 0.35 -0.79 -0.14 0.00 -0.60 0.00 0.00 56.93 55.75 1mac s PHE 39 Cb 0.09 -1.31 0.18 0.00 0.51 0.00 0.00 43.02 42.49 1mac s PHE 39 CO 0.16 -0.42 1.13 0.95 0.70 0.00 0.00 175.22 177.75 1mac s THR 40 N 0.94 1.94 0.06 0.64 -4.23 0.93 -4.88 115.64 111.03 1mac s THR 40 Ca -0.08 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.72 1mac s THR 40 Cb -0.15 -2.65 0.34 0.00 1.34 0.00 0.00 72.50 71.38 1mac s THR 40 CO -0.00 0.00 1.90 -0.55 -0.54 0.00 0.00 174.62 175.43 1mac h ASN 41 N -1.79 0.00 -0.52 3.99 7.08 -1.96 -2.43 115.58 119.94 1mac h ASN 41 Ca -0.51 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 52.44 1mac h ASN 41 Cb 1.32 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 37.40 1mac h ASN 41 CO 0.55 0.07 0.11 -0.90 -2.08 0.00 0.00 177.43 175.17 1mac n ASP 42 N -3.18 2.79 -2.74 6.14 5.75 -1.26 -4.96 116.55 119.09 1mac n ASP 42 Ca 0.01 -3.75 -0.10 0.00 -0.01 0.00 0.00 54.79 50.94 1mac n ASP 42 Cb 0.36 -0.69 0.05 0.00 -1.03 0.00 0.00 41.12 39.81 1mac n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mac n GLY 43 N -1.13 -0.60 3.18 6.12 0.00 -0.91 -5.07 105.19 106.77 1mac n GLY 43 Ca 0.40 0.34 -0.27 0.00 0.00 0.00 0.00 46.02 46.49 1mac n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mac s LYS 44 N -3.92 1.88 -0.06 1.61 1.02 -1.25 -4.57 119.74 114.45 1mac s LYS 44 Ca 0.30 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1mac s LYS 44 Cb -0.04 -1.66 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1mac s LYS 44 CO 0.53 0.32 1.35 -1.17 -0.92 0.00 0.00 175.35 175.45 1mac s LEU 45 N -0.13 4.27 -0.38 3.17 0.20 0.56 -0.05 118.68 126.32 1mac s LEU 45 Ca -0.01 1.95 -0.02 0.00 0.69 0.00 0.00 54.13 56.74 1mac s LEU 45 Cb -0.11 -3.55 0.09 0.00 -0.43 0.00 0.00 46.19 42.19 1mac s LEU 45 CO 0.02 -0.72 0.15 -0.75 -0.29 0.00 0.00 176.35 174.75 1mac s LYS 46 N 2.83 2.08 -0.21 1.98 2.20 0.26 -0.54 119.74 128.34 1mac s LYS 46 Ca 0.61 -1.68 -0.21 0.00 -0.36 0.00 0.00 55.97 54.32 1mac s LYS 46 Cb -0.27 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1mac s LYS 46 CO 0.23 -0.95 0.66 -0.51 -0.36 0.00 0.00 175.35 174.42 1mac s LEU 47 N 1.16 4.13 -0.05 5.43 1.43 -0.84 -0.19 118.68 129.74 1mac s LEU 47 Ca 0.05 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 54.05 1mac s LEU 47 Cb -0.22 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 1mac s LEU 47 CO -0.04 -0.32 -0.21 -0.83 0.23 0.00 0.00 176.35 175.19 1mac s GLY 48 N 1.26 1.10 -0.39 -3.19 0.00 -0.16 -1.81 107.32 104.13 1mac s GLY 48 Ca 0.29 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 44.07 1mac s GLY 48 CO 0.10 -0.48 0.21 -2.27 0.00 0.00 0.00 173.10 170.65 1mac s LEU 49 N -0.04 4.82 0.39 0.66 2.96 0.70 -4.20 118.68 123.96 1mac s LEU 49 Ca -0.04 -1.27 0.05 0.00 -0.22 0.00 0.00 54.13 52.65 1mac s LEU 49 Cb -0.13 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1mac s LEU 49 CO 0.03 -0.44 0.04 0.42 -1.32 0.00 0.00 176.35 175.08 1mac s THR 50 N 1.46 1.41 -0.35 3.68 -4.23 0.12 -1.57 115.64 116.17 1mac s THR 50 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1mac s THR 50 Cb -0.21 -2.74 0.11 0.00 1.34 0.00 0.00 72.50 71.00 1mac s THR 50 CO 0.04 0.00 0.13 -0.55 -0.54 0.00 0.00 174.62 173.70 1mac s SER 51 N -3.63 3.95 0.00 3.99 0.15 -1.26 0.12 113.70 117.02 1mac s SER 51 Ca 0.31 -1.95 0.18 0.00 0.70 0.00 0.00 55.95 55.19 1mac s SER 51 Cb 0.08 -0.95 0.51 0.00 -1.71 0.00 0.00 66.02 63.95 1mac s SER 51 CO 0.15 -0.37 1.43 -1.20 1.20 0.00 0.00 173.24 174.44 1mac n SER 52 N 4.44 3.07 -3.60 5.45 7.64 -1.18 -4.82 113.62 124.61 1mac n SER 52 Ca 0.02 -1.99 -0.15 0.00 1.01 0.00 0.00 58.87 57.75 1mac n SER 52 Cb 0.40 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1mac n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mac s ALA 53 N -1.25 -1.35 0.00 -0.43 0.00 -1.25 -5.04 121.76 112.45 1mac s ALA 53 Ca 0.38 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1mac s ALA 53 Cb 0.20 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1mac s ALA 53 CO 0.26 -0.40 0.50 0.98 0.00 0.00 0.00 175.76 177.10 1mac n TYR 54 N 0.79 0.00 -1.45 0.00 9.36 -1.26 -1.87 117.16 122.73 1mac n TYR 54 Ca -0.19 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.79 1mac n TYR 54 Cb 0.58 -0.09 0.12 0.00 -0.63 0.00 0.00 39.34 39.32 1mac n TYR 54 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1mac n ASN 55 N -1.33 5.18 -4.60 2.98 6.94 -1.26 -4.90 115.26 118.27 1mac n ASN 55 Ca 0.00 -3.74 -0.34 0.00 -0.02 0.00 0.00 54.58 50.47 1mac n ASN 55 Cb 0.00 -0.77 -0.11 0.00 -2.36 0.00 0.00 39.78 36.55 1mac n ASN 55 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1mac s LYS 56 N -3.54 3.40 -0.11 -3.83 1.02 -0.78 -5.11 119.74 110.79 1mac s LYS 56 Ca 0.56 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 56.15 1mac s LYS 56 Cb 0.46 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1mac s LYS 56 CO 0.03 0.46 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.63 1mac s PHE 57 N -0.21 2.59 -0.23 3.18 0.08 -1.26 -3.13 117.98 119.00 1mac s PHE 57 Ca 0.05 -1.09 -0.08 0.00 0.12 0.00 0.00 56.93 55.93 1mac s PHE 57 Cb -0.12 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1mac s PHE 57 CO 0.02 -0.45 0.09 -0.51 -0.10 0.00 0.00 175.22 174.28 1mac s ASP 58 N 0.43 5.48 0.29 1.36 1.01 0.32 -1.42 116.67 124.14 1mac s ASP 58 Ca -0.17 -0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.03 1mac s ASP 58 Cb -0.17 -1.98 -0.00 0.00 1.01 0.00 0.00 42.92 41.78 1mac s ASP 58 CO 0.07 0.04 0.02 0.00 0.21 0.00 0.00 175.17 175.51 1mac s ALA 60 N -2.56 -0.50 -0.03 0.00 0.00 -1.15 -1.78 121.76 115.73 1mac s ALA 60 Ca 0.03 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1mac s ALA 60 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1mac s ALA 60 CO 0.02 -0.11 0.08 -2.00 0.00 0.00 0.00 175.76 173.75 1mac s GLU 61 N 0.29 0.07 -0.10 0.00 2.12 -1.26 -1.19 118.70 118.63 1mac s GLU 61 Ca -0.01 0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.50 1mac s GLU 61 Cb -0.03 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.34 1mac s GLU 61 CO -0.01 -0.05 -0.19 -0.47 -0.54 0.00 0.00 175.26 173.99 1mac s TYR 62 N 0.33 2.21 0.06 5.30 5.04 0.13 -1.85 117.35 128.57 1mac s TYR 62 Ca -0.02 -0.94 -0.05 0.00 -2.44 0.00 0.00 57.07 53.61 1mac s TYR 62 Cb -0.04 -1.52 -0.02 0.00 0.35 0.00 0.00 41.96 40.73 1mac s TYR 62 CO -0.01 -0.42 0.08 -0.98 -1.34 0.00 0.00 175.55 172.88 1mac s ARG 63 N 0.60 0.70 0.40 4.97 3.03 -0.59 -1.68 118.95 126.38 1mac s ARG 63 Ca -0.14 -1.04 -0.26 0.00 2.03 0.00 0.00 55.73 56.32 1mac s ARG 63 Cb -0.17 0.27 -0.09 0.00 -1.03 0.00 0.00 34.95 33.94 1mac s ARG 63 CO 0.04 -0.18 1.27 -1.54 -1.13 0.00 0.00 175.30 173.76 1mac s SER 64 N -2.77 6.39 0.14 -2.89 1.04 0.34 -0.85 113.70 115.09 1mac s SER 64 Ca 0.04 2.57 0.13 0.00 0.48 0.00 0.00 55.95 59.17 1mac s SER 64 Cb 0.05 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 1mac s SER 64 CO -0.10 -0.79 1.14 0.71 0.98 0.00 0.00 173.24 175.19 1mac h THR 65 N 2.45 0.99 -0.91 2.02 1.35 -1.56 -3.44 112.91 113.80 1mac h THR 65 Ca -0.49 -2.53 -0.48 0.00 -0.55 0.00 0.00 66.41 62.36 1mac h THR 65 Cb 1.24 2.43 0.02 0.00 -1.73 0.00 0.00 68.15 70.12 1mac h THR 65 CO 0.63 0.56 -0.14 0.20 -0.25 0.00 0.00 175.52 176.52 1mac s ASN 66 N -6.30 5.19 0.14 5.36 0.01 -1.26 -5.08 114.94 112.99 1mac s ASN 66 Ca 0.00 -0.78 0.10 0.00 -0.71 0.00 0.00 52.86 51.47 1mac s ASN 66 Cb 0.09 0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.82 1mac s ASN 66 CO 0.79 -1.22 -0.23 0.27 -1.51 0.00 0.00 177.10 175.20 1mac s ILE 67 N -2.61 2.04 0.13 0.60 -4.36 -1.26 -4.36 121.20 111.37 1mac s ILE 67 Ca 0.60 -1.77 0.05 0.00 -0.26 0.00 0.00 60.65 59.27 1mac s ILE 67 Cb -0.06 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 1mac s ILE 67 CO 0.37 -0.06 -0.12 -0.31 0.24 0.00 0.00 174.94 175.07 1mac s TYR 68 N -1.36 1.29 0.00 1.37 1.51 -0.41 -4.87 117.35 114.89 1mac s TYR 68 Ca 0.13 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1mac s TYR 68 Cb -0.09 -0.67 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 1mac s TYR 68 CO 0.06 0.10 0.00 0.41 -1.11 0.00 0.00 175.55 175.02 1mac n GLY 69 N 0.17 4.97 3.71 0.71 0.00 -1.26 -1.65 105.19 111.84 1mac n GLY 69 Ca -0.13 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1mac n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mac s TYR 70 N 3.70 1.94 -5.00 1.61 2.02 -1.26 -4.91 117.35 115.44 1mac s TYR 70 Ca 0.00 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.28 1mac s TYR 70 Cb 0.00 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.96 1mac s TYR 70 CO 0.00 -2.90 0.00 0.41 -1.57 0.00 0.00 175.55 171.49 1mac n GLY 71 N 0.71 0.72 3.66 0.71 0.00 0.94 -3.48 105.19 108.45 1mac n GLY 71 Ca 0.15 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1mac n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mac s LEU 72 N 0.00 4.13 -0.21 0.99 2.96 -0.83 0.12 118.68 125.83 1mac s LEU 72 Ca 0.00 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1mac s LEU 72 Cb 0.00 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.47 1mac s LEU 72 CO 0.00 0.02 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.64 1mac s TYR 73 N 1.13 2.92 0.10 5.38 1.51 -0.71 -0.88 117.35 126.79 1mac s TYR 73 Ca 0.11 -1.32 0.08 0.00 -1.01 0.00 0.00 57.07 54.93 1mac s TYR 73 Cb -0.14 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1mac s TYR 73 CO 0.05 -0.68 -0.20 -1.21 -1.11 0.00 0.00 175.55 172.41 1mac s GLU 74 N 1.38 1.09 -0.04 -0.62 2.02 -0.86 -1.70 118.70 119.96 1mac s GLU 74 Ca 0.04 -1.14 -0.11 0.00 0.02 0.00 0.00 54.97 53.78 1mac s GLU 74 Cb -0.14 -1.31 0.02 0.00 0.10 0.00 0.00 34.13 32.79 1mac s GLU 74 CO -0.07 0.30 0.25 0.54 0.02 0.00 0.00 175.26 176.30 1mac s VAL 75 N -1.21 0.04 -0.26 2.63 0.11 0.00 -1.67 120.40 120.04 1mac s VAL 75 Ca 0.06 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1mac s VAL 75 Cb -0.10 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1mac s VAL 75 CO 0.04 -0.20 -0.04 -0.55 -3.33 0.00 0.00 175.10 171.02 1mac s SER 76 N -0.81 4.46 0.24 3.54 0.15 -0.80 -0.99 113.70 119.49 1mac s SER 76 Ca -0.09 -0.90 -0.07 0.00 0.70 0.00 0.00 55.95 55.59 1mac s SER 76 Cb -0.05 -1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 1mac s SER 76 CO 0.02 -0.15 0.33 0.00 1.20 0.00 0.00 173.24 174.64 1mac s MET 77 N 1.33 1.44 -0.32 5.44 0.23 -0.71 -1.14 119.30 125.57 1mac s MET 77 Ca -0.00 -1.47 -0.02 0.00 -1.03 0.00 0.00 55.69 53.17 1mac s MET 77 Cb -0.17 0.38 0.12 0.00 -1.53 0.00 0.00 34.83 33.63 1mac s MET 77 CO -0.03 -0.55 0.16 0.21 -2.03 0.00 0.00 175.02 172.77 1mac s LYS 78 N -3.99 0.46 0.69 3.16 2.20 0.78 -2.65 119.74 120.39 1mac s LYS 78 Ca 0.30 -0.97 -0.13 0.00 -0.36 0.00 0.00 55.97 54.81 1mac s LYS 78 Cb 0.03 -1.41 0.01 0.00 -1.51 0.00 0.00 37.83 34.95 1mac s LYS 78 CO 0.12 -1.08 1.09 -1.25 -0.36 0.00 0.00 175.35 173.87 1mac s PRO 79 N 1.58 2.70 0.41 4.03 0.04 -1.26 0.14 135.00 142.64 1mac s PRO 79 Ca 0.13 1.26 -0.22 0.00 0.04 0.00 0.00 61.00 62.21 1mac s PRO 79 Cb -0.19 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 1mac s PRO 79 CO -0.21 -1.31 0.95 0.00 0.04 0.00 0.00 177.00 176.47 1mac s ALA 80 N -2.59 3.07 -0.26 8.56 0.00 -1.25 -4.39 121.76 124.91 1mac s ALA 80 Ca 0.64 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1mac s ALA 80 Cb -0.18 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1mac s ALA 80 CO 0.47 0.12 -0.01 0.21 0.00 0.00 0.00 175.76 176.55 1mac s LYS 81 N -2.95 3.00 -0.29 0.00 2.20 -1.26 -4.36 119.74 116.08 1mac s LYS 81 Ca 0.60 -0.88 -0.35 0.00 -0.36 0.00 0.00 55.97 54.97 1mac s LYS 81 Cb -0.11 -3.12 0.17 0.00 -1.51 0.00 0.00 37.83 33.26 1mac s LYS 81 CO 0.15 -0.38 1.38 1.21 -0.36 0.00 0.00 175.35 177.35 1mac s ASN 82 N 1.41 -0.01 0.39 1.43 3.84 0.22 -5.00 114.94 117.21 1mac s ASN 82 Ca 0.02 0.01 -0.24 0.00 0.21 0.00 0.00 52.86 52.85 1mac s ASN 82 Cb -0.16 0.01 -0.09 0.00 -0.55 0.00 0.00 41.25 40.46 1mac s ASN 82 CO -0.02 -0.02 1.05 0.28 -2.79 0.00 0.00 177.10 175.60 1mac s THR 83 N -1.67 3.70 0.00 -5.21 -1.32 -1.26 -1.18 115.64 108.69 1mac s THR 83 Ca 0.11 1.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.92 1mac s THR 83 Cb -0.01 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 1mac s THR 83 CO -0.04 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1mac n GLY 84 N 0.40 0.52 3.24 6.08 0.00 0.46 -4.25 105.19 111.65 1mac n GLY 84 Ca 0.05 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1mac n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mac s ILE 85 N -2.00 1.34 0.01 -0.61 -4.36 -1.25 -0.41 121.20 113.93 1mac s ILE 85 Ca 0.00 -1.73 0.09 0.00 -0.26 0.00 0.00 60.65 58.75 1mac s ILE 85 Cb 0.00 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 1mac s ILE 85 CO 0.00 -0.42 -0.26 -0.69 0.24 0.00 0.00 174.94 173.81 1mac s VAL 86 N -2.15 2.07 -0.14 8.37 1.01 -0.12 -0.29 120.40 129.15 1mac s VAL 86 Ca 0.09 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1mac s VAL 86 Cb -0.05 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1mac s VAL 86 CO 0.03 0.47 -0.20 -0.44 0.00 0.00 0.00 175.10 174.95 1mac s SER 87 N -0.92 2.98 0.24 3.32 0.01 -0.89 -1.67 113.70 116.78 1mac s SER 87 Ca 0.11 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1mac s SER 87 Cb -0.10 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 1mac s SER 87 CO 0.01 0.06 0.22 -0.94 0.41 0.00 0.00 173.24 173.00 1mac s SER 88 N 0.89 0.51 -0.10 2.44 1.04 -0.85 -1.56 113.70 116.08 1mac s SER 88 Ca -0.06 -1.43 -0.04 0.00 0.48 0.00 0.00 55.95 54.91 1mac s SER 88 Cb -0.15 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.48 1mac s SER 88 CO -0.03 -0.95 0.19 0.12 0.98 0.00 0.00 173.24 173.55 1mac s PHE 89 N -3.91 -0.24 0.22 5.02 5.36 -0.40 -3.40 117.98 120.62 1mac s PHE 89 Ca 0.37 0.71 -0.19 0.00 -0.96 0.00 0.00 56.93 56.86 1mac s PHE 89 Cb 0.05 -0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.56 1mac s PHE 89 CO 0.16 -0.29 0.59 -0.59 -1.46 0.00 0.00 175.22 173.63 1mac s PHE 90 N 2.29 -0.18 0.18 10.12 -0.71 0.12 -1.72 117.98 128.08 1mac s PHE 90 Ca 0.02 -0.17 -0.01 0.00 -1.04 0.00 0.00 56.93 55.73 1mac s PHE 90 Cb -0.12 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1mac s PHE 90 CO -0.06 -1.00 0.37 0.95 -1.34 0.00 0.00 175.22 174.13 1mac s THR 91 N -3.87 5.22 -0.26 -4.49 -4.23 -0.25 -0.45 115.64 107.31 1mac s THR 91 Ca 0.09 -0.34 -0.09 0.00 -1.18 0.00 0.00 61.69 60.17 1mac s THR 91 Cb -0.02 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.21 1mac s THR 91 CO -0.01 -0.12 0.56 -0.47 -0.54 0.00 0.00 174.62 174.04 1mac s TYR 92 N -1.81 -1.11 -0.03 3.99 5.04 -0.12 -3.02 117.35 120.29 1mac s TYR 92 Ca 0.38 2.00 0.03 0.00 -2.44 0.00 0.00 57.07 57.04 1mac s TYR 92 Cb -0.11 0.60 0.00 0.00 0.35 0.00 0.00 41.96 42.80 1mac s TYR 92 CO 0.28 -0.58 -0.10 -0.08 -1.34 0.00 0.00 175.55 173.73 1mac s THR 93 N 2.69 0.83 0.00 4.34 -1.32 -0.47 -2.34 115.64 119.38 1mac s THR 93 Ca -0.05 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1mac s THR 93 Cb -0.12 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1mac s THR 93 CO -0.17 0.26 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1mac n GLY 94 N 3.23 4.78 0.00 6.08 0.00 -1.25 -1.12 105.19 116.91 1mac n GLY 94 Ca -0.18 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.31 1mac n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mac n PRO 95 N 0.00 0.37 -0.29 1.61 -0.02 -1.16 -0.70 135.00 134.80 1mac n PRO 95 Ca 0.00 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1mac n PRO 95 Cb 0.00 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.25 1mac n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mac h ALA 96 N 3.22 1.27 -1.07 3.55 0.00 -1.89 0.16 119.26 124.49 1mac h ALA 96 Ca 0.00 0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.59 1mac h ALA 96 Cb 0.24 0.24 -0.42 0.00 0.00 0.00 0.00 17.79 17.85 1mac h ALA 96 CO 0.00 -0.39 -0.87 -2.39 0.00 0.00 0.00 179.25 175.60 1mac n HIS 97 N -5.14 2.64 -3.97 0.00 1.44 -1.23 -4.97 115.22 103.99 1mac n HIS 97 Ca 0.20 -2.67 -0.38 0.00 -2.01 0.00 0.00 57.72 52.87 1mac n HIS 97 Cb 0.63 -0.23 0.01 0.00 0.12 0.00 0.00 29.99 30.52 1mac n HIS 97 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1mac n GLY 98 N -0.51 -0.73 1.10 -1.39 0.00 0.55 -4.98 105.19 99.24 1mac n GLY 98 Ca 0.33 0.33 -0.07 0.00 0.00 0.00 0.00 46.02 46.61 1mac n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mac n THR 99 N -4.66 0.00 -1.76 2.61 -2.24 0.12 -4.96 114.28 103.40 1mac n THR 99 Ca -0.15 -0.82 -0.30 0.00 -2.27 0.00 0.00 64.05 60.51 1mac n THR 99 Cb 0.60 0.37 0.16 0.00 -2.10 0.00 0.00 70.33 69.36 1mac n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mac s GLN 100 N -2.48 0.77 -0.42 -0.78 1.03 -1.26 -3.01 119.66 113.50 1mac s GLN 100 Ca 0.11 -0.16 -0.17 0.00 0.04 0.00 0.00 55.36 55.18 1mac s GLN 100 Cb 0.01 -1.84 0.02 0.00 0.03 0.00 0.00 33.01 31.23 1mac s GLN 100 CO 0.08 -2.37 0.43 -0.46 -2.54 0.00 0.00 175.29 170.43 1mac s TRP 101 N -3.63 3.17 -0.08 9.60 -0.00 -1.26 -3.79 118.94 122.95 1mac s TRP 101 Ca 0.70 -0.38 0.03 0.00 -0.00 0.00 0.00 56.10 56.45 1mac s TRP 101 Cb -0.08 -2.88 -0.02 0.00 -0.00 0.00 0.00 33.47 30.50 1mac s TRP 101 CO 0.53 -0.69 -0.18 -0.51 -0.00 0.00 0.00 176.95 176.09 1mac s ASP 102 N 1.80 3.62 -0.15 5.86 1.11 -0.27 -1.34 116.67 127.30 1mac s ASP 102 Ca 0.12 -0.37 -0.18 0.00 0.18 0.00 0.00 52.55 52.29 1mac s ASP 102 Cb -0.17 -1.14 0.05 0.00 1.07 0.00 0.00 42.92 42.73 1mac s ASP 102 CO 0.13 0.24 0.49 -0.70 1.18 0.00 0.00 175.17 176.51 1mac s GLU 103 N -0.11 0.63 -0.08 8.23 2.12 0.14 -1.36 118.70 128.26 1mac s GLU 103 Ca -0.03 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.86 1mac s GLU 103 Cb -0.14 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.56 1mac s GLU 103 CO 0.04 -0.11 -0.18 0.42 -0.54 0.00 0.00 175.26 174.89 1mac s ILE 104 N -0.07 1.59 0.14 -3.70 1.01 -1.17 -0.16 121.20 118.85 1mac s ILE 104 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1mac s ILE 104 Cb -0.03 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1mac s ILE 104 CO 0.02 0.46 -0.16 -1.81 0.00 0.00 0.00 174.94 173.44 1mac s ASP 105 N 0.53 2.35 -0.23 3.58 1.01 0.18 -1.09 116.67 123.02 1mac s ASP 105 Ca -0.16 -0.83 -0.03 0.00 0.71 0.00 0.00 52.55 52.24 1mac s ASP 105 Cb -0.17 -0.11 0.07 0.00 1.01 0.00 0.00 42.92 43.72 1mac s ASP 105 CO 0.06 -0.08 0.07 -0.63 0.21 0.00 0.00 175.17 174.79 1mac s ILE 106 N -2.06 0.44 -0.05 0.77 1.01 -0.70 -3.30 121.20 117.31 1mac s ILE 106 Ca 0.12 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1mac s ILE 106 Cb -0.05 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.32 1mac s ILE 106 CO 0.05 -0.38 -0.17 -1.61 0.00 0.00 0.00 174.94 172.83 1mac s GLU 107 N 1.88 1.89 -0.32 2.79 2.02 -0.71 -1.27 118.70 124.98 1mac s GLU 107 Ca 0.03 -0.59 -0.07 0.00 0.02 0.00 0.00 54.97 54.35 1mac s GLU 107 Cb -0.17 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.49 1mac s GLU 107 CO -0.15 0.19 0.11 -0.06 0.02 0.00 0.00 175.26 175.37 1mac s PHE 108 N 0.20 3.19 -0.30 1.61 0.08 -0.60 0.23 117.98 122.39 1mac s PHE 108 Ca -0.08 -1.09 -0.29 0.00 0.12 0.00 0.00 56.93 55.59 1mac s PHE 108 Cb -0.13 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.04 1mac s PHE 108 CO 0.03 -0.63 1.20 -0.51 -0.10 0.00 0.00 175.22 175.22 1mac s LEU 109 N 1.48 3.93 0.63 -0.37 1.43 -1.26 -2.08 118.68 122.44 1mac s LEU 109 Ca 0.01 1.19 0.35 0.00 -1.03 0.00 0.00 54.13 54.65 1mac s LEU 109 Cb -0.18 -3.54 1.98 0.00 0.03 0.00 0.00 46.19 44.48 1mac s LEU 109 CO 0.03 -0.97 2.20 1.23 0.23 0.00 0.00 176.35 179.08 1mac h GLY 110 N 10.44 0.00 2.00 -3.19 0.00 -0.75 -1.75 103.07 109.82 1mac h GLY 110 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1mac h GLY 110 CO 1.03 0.00 0.00 0.07 0.00 0.00 0.00 176.54 177.64 1mac h LYS 111 N 0.00 0.00 -0.80 4.80 2.10 -1.38 0.64 116.57 121.92 1mac h LYS 111 Ca 0.02 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.34 1mac h LYS 111 Cb 0.26 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.35 1mac h LYS 111 CO -0.00 0.00 -0.71 -3.47 -2.00 0.00 0.00 179.45 173.27 1mac n ASP 112 N -2.82 -1.87 -0.29 7.07 2.03 -0.66 -4.91 116.55 115.10 1mac n ASP 112 Ca 0.01 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1mac n ASP 112 Cb 0.27 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 1mac n ASP 112 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1mac n THR 113 N 1.71 0.00 0.97 5.18 -2.24 -1.23 -1.43 114.28 117.24 1mac n THR 113 Ca 0.14 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 1mac n THR 113 Cb 0.59 -0.22 0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1mac n THR 113 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1mac n THR 114 N 0.03 0.00 -4.23 4.28 5.66 -1.26 -0.43 114.28 118.33 1mac n THR 114 Ca 0.00 -0.43 -0.13 0.00 -3.05 0.00 0.00 64.05 60.43 1mac n THR 114 Cb 0.03 1.42 -0.10 0.00 -1.55 0.00 0.00 70.33 70.12 1mac n THR 114 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1mac s LYS 115 N -2.07 0.99 0.17 1.09 1.02 -0.51 -0.49 119.74 119.94 1mac s LYS 115 Ca 0.24 -1.40 0.09 0.00 0.02 0.00 0.00 55.97 54.92 1mac s LYS 115 Cb 0.19 -0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 36.94 1mac s LYS 115 CO 0.36 0.05 -0.19 0.08 -0.92 0.00 0.00 175.35 174.74 1mac s VAL 116 N -3.33 1.90 -0.19 3.17 1.01 -0.88 -4.64 120.40 117.45 1mac s VAL 116 Ca 0.15 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 60.17 1mac s VAL 116 Cb 0.03 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1mac s VAL 116 CO -0.01 -0.31 -0.18 -1.58 0.00 0.00 0.00 175.10 173.02 1mac s GLN 117 N -2.84 2.99 0.14 2.72 0.74 0.13 -1.45 119.66 122.08 1mac s GLN 117 Ca 0.17 -0.84 -0.02 0.00 0.05 0.00 0.00 55.36 54.73 1mac s GLN 117 Cb -0.06 -2.62 -0.05 0.00 1.10 0.00 0.00 33.01 31.39 1mac s GLN 117 CO 0.07 -0.23 0.33 -0.06 -0.55 0.00 0.00 175.29 174.86 1mac s PHE 118 N 1.30 3.49 -0.17 1.67 0.08 0.61 -1.74 117.98 123.22 1mac s PHE 118 Ca 0.04 0.37 -0.34 0.00 0.12 0.00 0.00 56.93 57.13 1mac s PHE 118 Cb -0.13 -1.86 0.14 0.00 -0.57 0.00 0.00 43.02 40.59 1mac s PHE 118 CO -0.12 0.46 1.16 1.21 -0.10 0.00 0.00 175.22 177.84 1mac s ASN 119 N -2.76 -0.17 -0.02 1.36 2.47 -1.21 -0.62 114.94 113.98 1mac s ASN 119 Ca 0.38 0.02 -0.12 0.00 0.42 0.00 0.00 52.86 53.56 1mac s ASN 119 Cb -0.12 0.18 0.02 0.00 -1.45 0.00 0.00 41.25 39.88 1mac s ASN 119 CO 0.27 -0.28 0.25 -0.72 -3.72 0.00 0.00 177.10 172.90 1mac s TYR 120 N -2.41 -0.12 -0.10 0.43 1.13 -1.26 -0.64 117.35 114.37 1mac s TYR 120 Ca 0.08 0.20 0.02 0.00 -1.41 0.00 0.00 57.07 55.96 1mac s TYR 120 Cb -0.01 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.88 1mac s TYR 120 CO -0.05 -0.32 -0.15 0.71 -2.51 0.00 0.00 175.55 173.23 1mac s TYR 121 N -1.14 2.74 -0.15 -3.49 1.51 0.78 -4.43 117.35 113.18 1mac s TYR 121 Ca -0.12 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.41 1mac s TYR 121 Cb -0.06 -1.75 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1mac s TYR 121 CO 0.03 -0.09 0.02 0.99 -1.11 0.00 0.00 175.55 175.39 1mac s THR 122 N -0.03 0.47 -1.46 -0.71 2.01 -0.99 0.23 115.64 115.17 1mac s THR 122 Ca -0.04 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 1mac s THR 122 Cb -0.14 -0.84 0.04 0.00 0.01 0.00 0.00 72.50 71.57 1mac s THR 122 CO 0.04 -0.02 0.62 0.59 -0.69 0.00 0.00 174.62 175.16 1mac n ASN 123 N 5.09 -1.63 0.00 3.53 3.02 -0.63 -1.17 115.26 123.47 1mac n ASN 123 Ca -0.08 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1mac n ASN 123 Cb 0.48 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 1mac n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mac n GLY 124 N -1.77 0.67 3.56 7.41 0.00 -0.45 -4.78 105.19 109.84 1mac n GLY 124 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1mac n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mac s VAL 125 N -2.89 4.15 0.00 1.61 1.01 -0.32 -5.04 120.40 118.91 1mac s VAL 125 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1mac s VAL 125 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1mac s VAL 125 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1mac n GLY 126 N 3.27 2.66 2.82 4.51 0.00 -1.26 -2.33 105.19 114.85 1mac n GLY 126 Ca -0.17 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1mac n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mac n GLY 127 N 3.64 -0.37 0.08 -0.02 0.00 -1.26 -4.93 105.19 102.33 1mac n GLY 127 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1mac n GLY 127 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mac n HIS 128 N -3.12 0.00 -1.55 1.61 -0.00 -1.26 -5.08 115.22 105.82 1mac n HIS 128 Ca -0.15 -0.60 -0.43 0.00 -0.00 0.00 0.00 57.72 56.54 1mac n HIS 128 Cb 0.61 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1mac n HIS 128 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1mac n GLU 129 N -0.78 1.08 -3.65 -0.41 4.71 -1.26 -4.51 120.64 115.82 1mac n GLU 129 Ca 0.07 0.38 -0.15 0.00 -0.01 0.00 0.00 57.16 57.44 1mac n GLU 129 Cb 0.48 -1.77 -0.14 0.00 -1.01 0.00 0.00 31.44 29.00 1mac n GLU 129 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1mac s LYS 130 N -1.66 0.09 -0.16 3.49 2.47 0.20 -4.96 119.74 119.22 1mac s LYS 130 Ca 0.61 0.62 -0.04 0.00 -1.56 0.00 0.00 55.97 55.60 1mac s LYS 130 Cb -0.65 -0.24 -0.03 0.00 -1.46 0.00 0.00 37.83 35.45 1mac s LYS 130 CO 0.58 -0.32 -0.02 0.08 0.16 0.00 0.00 175.35 175.83 1mac s VAL 131 N 2.35 4.04 0.15 4.02 1.01 -1.26 -0.28 120.40 130.43 1mac s VAL 131 Ca 0.03 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1mac s VAL 131 Cb -0.12 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1mac s VAL 131 CO -0.07 0.49 -0.19 0.27 0.00 0.00 0.00 175.10 175.60 1mac s ILE 132 N 0.32 1.79 -0.11 2.22 -5.25 -0.53 -4.98 121.20 114.67 1mac s ILE 132 Ca -0.03 -1.83 -0.18 0.00 -0.99 0.00 0.00 60.65 57.62 1mac s ILE 132 Cb -0.14 -1.78 -0.04 0.00 2.95 0.00 0.00 42.46 43.45 1mac s ILE 132 CO 0.02 -0.26 0.48 -0.44 -1.79 0.00 0.00 174.94 172.96 1mac s SER 133 N -2.49 6.70 0.20 4.36 0.01 -1.26 -2.08 113.70 119.14 1mac s SER 133 Ca 0.14 0.84 0.03 0.00 1.31 0.00 0.00 55.95 58.27 1mac s SER 133 Cb -0.07 -2.29 0.12 0.00 0.21 0.00 0.00 66.02 63.99 1mac s SER 133 CO 0.06 0.01 1.47 -0.07 0.41 0.00 0.00 173.24 175.12 1mac h LEU 134 N 6.63 0.26 0.00 2.44 3.38 -1.14 -3.47 115.31 123.41 1mac h LEU 134 Ca -0.41 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1mac h LEU 134 Cb 1.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1mac h LEU 134 CO 0.75 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.80 1mac n GLY 135 N 0.58 1.23 3.33 0.83 0.00 -1.26 -4.97 105.19 104.92 1mac n GLY 135 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1mac n GLY 135 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mac s PHE 136 N -3.32 -0.02 -0.43 1.61 -0.12 -1.26 -5.13 117.98 109.31 1mac s PHE 136 Ca 0.00 -0.33 -0.21 0.00 -0.05 0.00 0.00 56.93 56.34 1mac s PHE 136 Cb 0.00 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1mac s PHE 136 CO 0.00 -0.71 0.66 0.34 -0.05 0.00 0.00 175.22 175.46 1mac s ASP 137 N -2.85 6.34 0.44 1.98 -1.08 -1.26 -4.45 116.67 115.79 1mac s ASP 137 Ca 0.07 -0.27 0.20 0.00 -0.52 0.00 0.00 52.55 52.03 1mac s ASP 137 Cb 0.02 -2.33 1.16 0.00 -1.46 0.00 0.00 42.92 40.32 1mac s ASP 137 CO -0.08 -0.78 1.86 0.00 0.52 0.00 0.00 175.17 176.69 1mac h ALA 138 N 8.85 2.33 0.00 3.66 0.00 -1.08 -2.24 119.26 130.78 1mac h ALA 138 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mac h ALA 138 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mac h ALA 138 CO 0.90 -0.61 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 1mac n SER 139 N -4.47 0.00 0.09 0.00 3.41 -1.26 -3.56 113.62 107.83 1mac n SER 139 Ca 0.19 0.33 0.03 0.00 -0.26 0.00 0.00 58.87 59.16 1mac n SER 139 Cb 0.76 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1mac n SER 139 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1mac h LYS 140 N 0.00 0.00 -2.74 4.33 1.57 -1.74 -3.46 116.57 114.53 1mac h LYS 140 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1mac h LYS 140 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1mac h LYS 140 CO 0.00 0.30 0.41 0.20 -0.57 0.00 0.00 179.45 179.78 1mac s GLY 141 N -4.58 0.13 0.09 3.86 0.00 -1.23 -5.15 107.32 100.44 1mac s GLY 141 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 1mac s GLY 141 CO 0.78 0.68 1.02 -1.36 0.00 0.00 0.00 173.10 174.21 1mac s PHE 142 N -2.62 3.70 0.27 1.90 0.40 -1.26 -4.56 117.98 115.80 1mac s PHE 142 Ca 0.17 1.69 0.02 0.00 -0.60 0.00 0.00 56.93 58.20 1mac s PHE 142 Cb -0.04 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 1mac s PHE 142 CO 0.07 -0.16 0.12 -1.01 0.70 0.00 0.00 175.22 174.95 1mac s HIS 143 N 0.28 1.51 -0.16 0.36 3.76 -1.09 -4.93 115.29 115.03 1mac s HIS 143 Ca 0.50 -1.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.12 1mac s HIS 143 Cb -0.25 -0.84 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 1mac s HIS 143 CO 0.30 -0.44 -0.11 0.99 -0.85 0.00 0.00 174.74 174.63 1mac s THR 144 N -3.75 3.10 -0.03 1.30 2.01 -1.26 -1.74 115.64 115.26 1mac s THR 144 Ca 0.37 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1mac s THR 144 Cb 0.07 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1mac s THR 144 CO 0.15 0.50 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.08 1mac s TYR 145 N 0.70 1.80 0.13 4.92 2.02 -0.16 0.24 117.35 127.01 1mac s TYR 145 Ca -0.05 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 56.07 1mac s TYR 145 Cb -0.15 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1mac s TYR 145 CO 0.02 -0.12 0.33 0.00 -1.57 0.00 0.00 175.55 174.21 1mac s ALA 146 N -0.17 -0.50 -0.02 3.71 0.00 -1.03 -0.82 121.76 122.93 1mac s ALA 146 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1mac s ALA 146 Cb -0.10 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1mac s ALA 146 CO 0.01 -0.63 -0.08 -0.59 0.00 0.00 0.00 175.76 174.48 1mac s PHE 147 N -3.87 0.79 -0.41 0.00 -0.12 -0.69 -0.43 117.98 113.25 1mac s PHE 147 Ca 0.08 -0.17 -0.15 0.00 -0.05 0.00 0.00 56.93 56.63 1mac s PHE 147 Cb 0.03 -0.55 0.02 0.00 -0.63 0.00 0.00 43.02 41.88 1mac s PHE 147 CO -0.08 -0.06 0.30 0.34 -0.05 0.00 0.00 175.22 175.67 1mac s ASP 148 N 0.06 6.11 -0.52 1.98 -1.08 0.15 -1.75 116.67 121.63 1mac s ASP 148 Ca -0.01 -0.89 -0.14 0.00 -0.52 0.00 0.00 52.55 50.99 1mac s ASP 148 Cb -0.06 -2.16 0.12 0.00 -1.46 0.00 0.00 42.92 39.36 1mac s ASP 148 CO -0.00 -0.45 0.45 0.86 0.52 0.00 0.00 175.17 176.55 1mac s TRP 149 N 1.69 3.30 0.42 -5.34 -0.00 0.12 -1.69 118.94 117.43 1mac s TRP 149 Ca 0.05 -1.45 0.07 0.00 -0.00 0.00 0.00 56.10 54.78 1mac s TRP 149 Cb -0.19 -3.69 -0.05 0.00 -0.00 0.00 0.00 33.47 29.54 1mac s TRP 149 CO 0.10 -1.00 0.19 -0.65 -0.00 0.00 0.00 176.95 175.58 1mac s GLN 150 N 1.53 2.23 0.31 5.86 -1.52 -0.85 -0.04 119.66 127.19 1mac s GLN 150 Ca 0.04 -1.85 0.23 0.00 -1.95 0.00 0.00 55.36 51.83 1mac s GLN 150 Cb -0.29 -1.98 1.14 0.00 -0.22 0.00 0.00 33.01 31.66 1mac s GLN 150 CO 0.02 -0.13 1.71 -1.35 -0.25 0.00 0.00 175.29 175.29 1mac h PRO 151 N 1.41 0.00 0.00 2.91 0.11 -1.97 -2.96 132.00 131.50 1mac h PRO 151 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1mac h PRO 151 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1mac h PRO 151 CO 0.70 0.00 -0.06 0.41 -0.21 0.00 0.00 178.00 178.84 1mac n GLY 152 N -0.76 1.65 3.54 -0.55 0.00 -1.26 -4.81 105.19 103.01 1mac n GLY 152 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1mac n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mac s TYR 153 N -1.03 -0.25 -0.02 1.61 -0.85 -1.12 -4.63 117.35 111.06 1mac s TYR 153 Ca 0.07 0.15 0.05 0.00 -0.52 0.00 0.00 57.07 56.82 1mac s TYR 153 Cb 0.06 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 1mac s TYR 153 CO 0.01 -0.40 -0.16 0.42 -1.52 0.00 0.00 175.55 173.90 1mac s ILE 154 N -2.82 1.28 -0.06 -3.49 1.01 -0.38 -2.00 121.20 114.74 1mac s ILE 154 Ca 0.07 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1mac s ILE 154 Cb -0.01 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.40 1mac s ILE 154 CO -0.07 0.36 -0.09 -0.54 0.00 0.00 0.00 174.94 174.60 1mac s LYS 155 N -0.31 1.42 -0.13 2.79 1.02 -0.68 -1.87 119.74 121.99 1mac s LYS 155 Ca 0.05 -0.31 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 1mac s LYS 155 Cb -0.07 -1.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 1mac s LYS 155 CO -0.00 -0.03 0.08 -1.58 -0.92 0.00 0.00 175.35 172.90 1mac s TRP 156 N 0.81 3.39 0.15 3.18 0.51 -0.59 0.34 118.94 126.74 1mac s TRP 156 Ca -0.12 0.33 0.06 0.00 -2.12 0.00 0.00 56.10 54.25 1mac s TRP 156 Cb -0.15 -1.93 -0.04 0.00 -0.81 0.00 0.00 33.47 30.53 1mac s TRP 156 CO 0.02 0.52 -0.13 0.71 -0.51 0.00 0.00 176.95 177.56 1mac s TYR 157 N -0.64 1.48 -0.04 -1.98 1.51 0.43 -0.39 117.35 117.72 1mac s TYR 157 Ca 0.12 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1mac s TYR 157 Cb -0.12 -0.74 0.03 0.00 -0.11 0.00 0.00 41.96 41.02 1mac s TYR 157 CO 0.02 0.20 0.02 0.08 -1.11 0.00 0.00 175.55 174.76 1mac s VAL 158 N -2.68 0.11 -0.65 0.71 1.01 -0.84 -2.46 120.40 115.60 1mac s VAL 158 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1mac s VAL 158 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1mac s VAL 158 CO 0.04 0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.77 1mac n ASP 159 N 4.57 -2.58 0.00 3.32 8.00 0.14 -0.27 116.55 129.72 1mac n ASP 159 Ca -0.18 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1mac n ASP 159 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.29 1mac n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mac n GLY 160 N -0.58 0.69 3.57 0.44 0.00 -1.26 -5.01 105.19 103.04 1mac n GLY 160 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1mac n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mac s VAL 161 N -2.14 5.21 -0.15 1.61 1.01 0.62 -5.03 120.40 121.52 1mac s VAL 161 Ca 0.00 0.23 -0.37 0.00 0.00 0.00 0.00 61.98 61.84 1mac s VAL 161 Cb 0.00 -3.71 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 1mac s VAL 161 CO 0.00 0.07 1.79 -0.11 0.00 0.00 0.00 175.10 176.85 1mac n LEU 162 N 5.28 2.94 -0.02 3.92 -0.00 -1.26 -1.98 117.00 125.89 1mac n LEU 162 Ca -0.10 1.02 -0.01 0.00 -0.00 0.00 0.00 56.01 56.92 1mac n LEU 162 Cb 0.50 -1.27 -0.04 0.00 -0.00 0.00 0.00 43.42 42.61 1mac n LEU 162 CO 0.37 -0.25 -0.64 0.29 -0.00 0.00 0.00 177.39 177.16 1mac n LYS 163 N 5.85 2.17 -3.64 1.96 4.76 0.47 -4.95 118.16 124.78 1mac n LYS 163 Ca 0.24 -0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.51 1mac n LYS 163 Cb 0.22 -1.14 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 1mac n LYS 163 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1mac s HIS 164 N -2.22 -0.54 -0.02 2.13 2.46 -1.16 -4.98 115.29 110.97 1mac s HIS 164 Ca -0.02 1.09 0.02 0.00 0.47 0.00 0.00 55.06 56.61 1mac s HIS 164 Cb 0.02 0.26 0.01 0.00 -0.13 0.00 0.00 32.58 32.74 1mac s HIS 164 CO 0.23 -0.44 -0.05 0.99 -2.47 0.00 0.00 174.74 173.00 1mac s THR 165 N -0.63 0.50 -0.08 0.89 2.01 -1.26 -1.54 115.64 115.54 1mac s THR 165 Ca -0.07 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1mac s THR 165 Cb -0.03 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1mac s THR 165 CO 0.05 0.17 -0.21 0.00 -0.69 0.00 0.00 174.62 173.95 1mac s ALA 166 N 0.30 1.89 -0.08 7.40 0.00 -0.78 -4.97 121.76 125.52 1mac s ALA 166 Ca -0.04 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1mac s ALA 166 Cb -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1mac s ALA 166 CO -0.00 0.27 0.08 0.25 0.00 0.00 0.00 175.76 176.36 1mac n THR 167 N 3.44 0.00 -3.93 0.00 -2.24 -1.26 -1.25 114.28 109.03 1mac n THR 167 Ca -0.19 -0.39 -0.37 0.00 -2.27 0.00 0.00 64.05 60.83 1mac n THR 167 Cb 0.53 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1mac n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mac s ALA 168 N -1.34 3.81 -1.51 6.98 0.00 -1.26 -4.58 121.76 123.87 1mac s ALA 168 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1mac s ALA 168 Cb 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1mac s ALA 168 CO 0.08 0.61 0.02 0.09 0.00 0.00 0.00 175.76 176.56 1mac n ASN 169 N 2.02 0.77 -4.72 0.00 4.13 -1.26 -4.86 115.26 111.34 1mac n ASN 169 Ca -0.20 -1.25 -0.42 0.00 1.68 0.00 0.00 54.58 54.39 1mac n ASN 169 Cb 0.55 -1.56 -0.03 0.00 -1.54 0.00 0.00 39.78 37.20 1mac n ASN 169 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1mac s ILE 170 N -4.33 2.44 1.05 2.41 -1.09 -1.26 -4.72 121.20 115.69 1mac s ILE 170 Ca 0.02 0.29 -0.16 0.00 -2.23 0.00 0.00 60.65 58.57 1mac s ILE 170 Cb -0.01 -3.18 0.09 0.00 -1.58 0.00 0.00 42.46 37.77 1mac s ILE 170 CO 0.98 0.02 0.24 -2.65 -1.23 0.00 0.00 174.94 172.30 1mac n PRO 171 N 4.14 -1.08 0.00 2.79 -0.02 -1.26 -4.99 135.00 134.59 1mac n PRO 171 Ca 0.15 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1mac n PRO 171 Cb 0.37 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1mac n PRO 171 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mac n SER 172 N -1.73 0.00 -4.82 2.55 3.41 -1.26 -4.93 113.62 106.83 1mac n SER 172 Ca 0.03 -0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.10 1mac n SER 172 Cb 0.58 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 1mac n SER 172 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1mac s THR 173 N 0.00 4.53 0.68 6.66 2.01 -1.26 -5.01 115.64 123.25 1mac s THR 173 Ca 0.00 1.27 -0.12 0.00 0.31 0.00 0.00 61.69 63.15 1mac s THR 173 Cb 0.00 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1mac s THR 173 CO 0.00 -0.06 1.07 -2.84 -0.69 0.00 0.00 174.62 172.10 1mac s PRO 174 N -2.61 2.90 0.37 4.92 0.02 -1.26 -4.91 135.00 134.44 1mac s PRO 174 Ca 0.52 1.06 -0.08 0.00 0.02 0.00 0.00 61.00 62.53 1mac s PRO 174 Cb -0.13 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.44 1mac s PRO 174 CO 0.18 -1.13 0.62 0.20 -0.33 0.00 0.00 177.00 176.54 1mac s GLY 175 N -3.46 1.07 0.49 0.52 0.00 -0.66 -4.63 107.32 100.65 1mac s GLY 175 Ca 0.60 -1.23 -0.08 0.00 0.00 0.00 0.00 44.72 44.01 1mac s GLY 175 CO 0.51 -0.72 0.83 0.54 0.00 0.00 0.00 173.10 174.26 1mac s LYS 176 N -2.63 3.63 -0.13 2.90 1.02 -0.99 -1.28 119.74 122.26 1mac s LYS 176 Ca 0.24 0.40 -0.20 0.00 0.02 0.00 0.00 55.97 56.43 1mac s LYS 176 Cb -0.03 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1mac s LYS 176 CO 0.17 -0.23 0.56 0.42 -0.92 0.00 0.00 175.35 175.35 1mac s ILE 177 N -2.72 5.12 0.03 2.17 1.01 -1.26 -0.94 121.20 124.61 1mac s ILE 177 Ca 0.50 1.10 0.03 0.00 0.00 0.00 0.00 60.65 62.28 1mac s ILE 177 Cb -0.10 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1mac s ILE 177 CO 0.43 0.26 -0.09 -0.04 0.00 0.00 0.00 174.94 175.50 1mac s MET 178 N 0.96 0.63 -0.04 2.79 -1.94 0.40 -0.51 119.30 121.59 1mac s MET 178 Ca 0.29 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1mac s MET 178 Cb -0.16 -0.54 0.02 0.00 2.01 0.00 0.00 34.83 36.17 1mac s MET 178 CO 0.12 0.13 -0.05 -1.64 -0.01 0.00 0.00 175.02 173.57 1mac s MET 179 N -1.05 0.84 0.11 2.03 -1.94 -0.68 0.11 119.30 118.72 1mac s MET 179 Ca -0.03 -0.11 -0.19 0.00 -1.71 0.00 0.00 55.69 53.65 1mac s MET 179 Cb -0.07 -0.84 0.05 0.00 2.01 0.00 0.00 34.83 35.97 1mac s MET 179 CO 0.01 -0.08 0.47 0.54 -0.01 0.00 0.00 175.02 175.95 1mac s ASN 180 N 0.91 -0.36 -0.07 3.03 2.20 -1.22 0.18 114.94 119.62 1mac s ASN 180 Ca -0.11 -0.12 0.02 0.00 -0.94 0.00 0.00 52.86 51.71 1mac s ASN 180 Cb -0.14 0.50 0.02 0.00 -2.00 0.00 0.00 41.25 39.62 1mac s ASN 180 CO 0.00 -0.84 -0.11 -0.22 -2.94 0.00 0.00 177.10 173.00 1mac s LEU 181 N -2.55 1.55 0.12 3.54 2.96 -0.34 -2.02 118.68 121.94 1mac s LEU 181 Ca 0.00 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.43 1mac s LEU 181 Cb 0.00 -0.77 0.06 0.00 0.50 0.00 0.00 46.19 45.98 1mac s LEU 181 CO -0.09 0.00 0.52 -1.66 -1.32 0.00 0.00 176.35 173.81 1mac s TRP 182 N 0.81 -0.42 -0.21 5.38 1.48 -0.67 -2.92 118.94 122.40 1mac s TRP 182 Ca -0.12 0.25 -0.10 0.00 -1.06 0.00 0.00 56.10 55.07 1mac s TRP 182 Cb -0.15 0.41 -0.05 0.00 -1.16 0.00 0.00 33.47 32.52 1mac s TRP 182 CO 0.02 -0.75 0.15 0.54 -4.06 0.00 0.00 176.95 172.85 1mac s ASN 183 N -2.54 6.21 0.33 -2.66 6.03 -1.26 -0.95 114.94 120.10 1mac s ASN 183 Ca -0.00 0.22 -0.02 0.00 -1.03 0.00 0.00 52.86 52.03 1mac s ASN 183 Cb -0.00 -2.10 -0.04 0.00 -3.03 0.00 0.00 41.25 36.08 1mac s ASN 183 CO -0.09 0.14 0.57 -0.83 -2.03 0.00 0.00 177.10 174.86 1mac s GLY 184 N 0.54 1.60 -0.11 0.45 0.00 0.46 -1.80 107.32 108.45 1mac s GLY 184 Ca 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1mac s GLY 184 CO 0.00 -0.63 -0.12 -0.51 0.00 0.00 0.00 173.10 171.84 1mac s THR 185 N -2.24 1.28 -0.81 0.90 -4.23 0.53 -4.63 115.64 106.44 1mac s THR 185 Ca 0.42 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1mac s THR 185 Cb -0.10 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.53 1mac s THR 185 CO 0.34 0.40 0.68 0.61 -0.54 0.00 0.00 174.62 176.11 1mac n GLY 186 N 4.46 0.06 0.06 3.99 0.00 -1.26 -4.58 105.19 107.92 1mac n GLY 186 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1mac n GLY 186 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mac n VAL 187 N -3.99 0.10 -0.32 1.61 0.24 -1.26 -4.93 118.33 109.79 1mac n VAL 187 Ca -0.00 -0.11 0.21 0.00 -2.04 0.00 0.00 64.34 62.41 1mac n VAL 187 Cb 0.54 0.89 0.41 0.00 -1.47 0.00 0.00 33.84 34.20 1mac n VAL 187 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mac n ASP 188 N -0.06 0.09 -0.24 -1.34 9.92 -1.26 0.29 116.55 123.95 1mac n ASP 188 Ca 0.00 1.60 0.19 0.00 -0.53 0.00 0.00 54.79 56.05 1mac n ASP 188 Cb 0.51 -0.67 0.51 0.00 -0.64 0.00 0.00 41.12 40.82 1mac n ASP 188 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1mac h ASP 189 N 0.00 0.41 0.00 -2.24 2.03 -1.91 0.68 116.42 115.39 1mac h ASP 189 Ca 0.68 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 57.02 1mac h ASP 189 Cb 1.62 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 40.08 1mac h ASP 189 CO -0.82 0.17 -0.16 -0.25 -1.03 0.00 0.00 179.24 177.15 1mac h TRP 190 N 0.42 0.00 -0.00 4.15 7.01 0.38 -3.42 115.95 124.48 1mac h TRP 190 Ca 0.46 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.46 1mac h TRP 190 Cb 1.13 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1mac h TRP 190 CO -0.00 0.00 -0.81 1.28 -2.79 0.00 0.00 178.44 176.12 1mac n LEU 191 N -4.48 0.91 -0.14 0.65 4.32 -0.35 -5.07 117.00 112.83 1mac n LEU 191 Ca -0.02 -0.36 0.02 0.00 -0.02 0.00 0.00 56.01 55.62 1mac n LEU 191 Cb 0.08 -0.08 -0.01 0.00 -1.62 0.00 0.00 43.42 41.80 1mac n LEU 191 CO 0.03 0.22 -0.06 0.61 -1.22 0.00 0.00 177.39 176.97 1mac n GLY 192 N 1.49 -2.63 3.75 -0.72 0.00 0.24 -0.40 105.19 106.92 1mac n GLY 192 Ca 0.05 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1mac n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mac s SER 193 N -4.40 7.54 -0.16 1.61 0.01 -1.26 -3.38 113.70 113.66 1mac s SER 193 Ca 0.00 1.83 -0.24 0.00 1.31 0.00 0.00 55.95 58.85 1mac s SER 193 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1mac s SER 193 CO 0.00 0.11 0.77 -0.47 0.41 0.00 0.00 173.24 174.06 1mac s TYR 194 N -0.85 3.43 -2.06 2.43 5.04 -1.26 -3.85 117.35 120.23 1mac s TYR 194 Ca 0.41 1.19 0.14 0.00 -2.44 0.00 0.00 57.07 56.37 1mac s TYR 194 Cb -0.25 -2.94 0.42 0.00 0.35 0.00 0.00 41.96 39.54 1mac s TYR 194 CO 0.30 -0.18 1.34 0.27 -1.34 0.00 0.00 175.55 175.93 1mac n ASN 195 N 5.00 1.95 0.00 4.32 0.23 -1.26 -4.91 115.26 120.59 1mac n ASN 195 Ca 0.03 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 1mac n ASN 195 Cb 0.49 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1mac n ASN 195 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mac n GLY 196 N 1.11 1.06 3.61 4.83 0.00 -1.26 -4.99 105.19 109.55 1mac n GLY 196 Ca 0.13 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.65 1mac n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mac n ALA 197 N 0.48 -0.52 -3.60 4.61 0.00 -1.26 -4.95 120.51 115.28 1mac n ALA 197 Ca 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 53.44 53.88 1mac n ALA 197 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 1mac n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mac s ASN 198 N 0.56 -0.22 0.33 0.00 2.20 -1.26 -4.63 114.94 111.92 1mac s ASN 198 Ca 0.83 0.19 -0.09 0.00 -0.94 0.00 0.00 52.86 52.85 1mac s ASN 198 Cb -0.90 0.19 -0.07 0.00 -2.00 0.00 0.00 41.25 38.48 1mac s ASN 198 CO 0.45 -0.24 0.66 -2.16 -2.94 0.00 0.00 177.10 172.88 1mac s PRO 199 N -1.42 3.77 0.03 3.55 0.04 -1.26 -5.02 135.00 134.68 1mac s PRO 199 Ca 0.04 0.33 0.09 0.00 0.04 0.00 0.00 61.00 61.50 1mac s PRO 199 Cb -0.01 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1mac s PRO 199 CO -0.03 0.12 -0.26 -0.51 0.04 0.00 0.00 177.00 176.36 1mac s LEU 200 N -3.47 2.15 0.01 -3.56 1.43 -0.61 -4.97 118.68 109.66 1mac s LEU 200 Ca 0.49 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1mac s LEU 200 Cb -0.11 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 1mac s LEU 200 CO 0.27 0.28 -0.06 -0.31 0.23 0.00 0.00 176.35 176.76 1mac s TYR 201 N -0.75 0.53 -0.05 0.29 2.02 -1.26 -0.22 117.35 117.91 1mac s TYR 201 Ca 0.11 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.68 1mac s TYR 201 Cb -0.10 -0.33 -0.02 0.00 -0.40 0.00 0.00 41.96 41.11 1mac s TYR 201 CO 0.01 -0.03 -0.23 0.00 -1.57 0.00 0.00 175.55 173.73 1mac s ALA 202 N -0.45 2.25 -0.03 3.71 0.00 -0.75 -3.75 121.76 122.74 1mac s ALA 202 Ca -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.97 1mac s ALA 202 Cb -0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1mac s ALA 202 CO -0.00 0.46 -0.23 -1.21 0.00 0.00 0.00 175.76 174.77 1mac s GLU 203 N -0.33 2.20 -0.11 0.00 2.02 0.12 -1.99 118.70 120.62 1mac s GLU 203 Ca 0.02 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.15 1mac s GLU 203 Cb -0.12 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.00 1mac s GLU 203 CO 0.02 0.57 -0.20 0.71 0.02 0.00 0.00 175.26 176.38 1mac s TYR 204 N -0.63 2.36 -0.19 1.61 1.51 0.29 -0.16 117.35 122.15 1mac s TYR 204 Ca 0.10 -1.09 -0.23 0.00 -1.01 0.00 0.00 57.07 54.84 1mac s TYR 204 Cb -0.10 -1.62 -0.20 0.00 -0.11 0.00 0.00 41.96 39.92 1mac s TYR 204 CO -0.01 -0.50 0.35 0.22 -1.11 0.00 0.00 175.55 174.50 1mac h ASP 205 N 7.15 0.00 -5.10 2.29 1.82 -1.43 0.16 116.42 121.32 1mac h ASP 205 Ca -0.28 -0.62 0.00 0.00 -0.39 0.00 0.00 57.03 55.74 1mac h ASP 205 Cb 1.20 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.13 1mac h ASP 205 CO 0.51 1.34 0.06 -1.66 -1.61 0.00 0.00 179.24 177.89 1mac s TRP 206 N -2.32 -0.03 0.01 0.28 1.48 -1.25 -4.26 118.94 112.87 1mac s TRP 206 Ca -0.26 -0.36 0.03 0.00 -1.06 0.00 0.00 56.10 54.45 1mac s TRP 206 Cb 0.03 0.45 -0.01 0.00 -1.16 0.00 0.00 33.47 32.78 1mac s TRP 206 CO 0.61 -1.05 -0.09 0.08 -4.06 0.00 0.00 176.95 172.43 1mac s VAL 207 N -3.92 0.73 -0.04 -0.66 1.01 0.25 -1.90 120.40 115.87 1mac s VAL 207 Ca 0.13 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1mac s VAL 207 Cb -0.03 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1mac s VAL 207 CO 0.03 0.06 0.01 -0.75 0.00 0.00 0.00 175.10 174.45 1mac s LYS 208 N -0.60 0.36 -0.20 2.72 2.20 -0.67 -0.70 119.74 122.84 1mac s LYS 208 Ca 0.01 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.73 1mac s LYS 208 Cb -0.05 -0.64 0.01 0.00 -1.51 0.00 0.00 37.83 35.63 1mac s LYS 208 CO 0.00 -0.21 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.19 1mac s TYR 209 N 1.45 2.88 -0.33 4.03 5.04 0.65 -2.03 117.35 129.04 1mac s TYR 209 Ca -0.04 -1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 53.19 1mac s TYR 209 Cb -0.13 -2.01 0.04 0.00 0.35 0.00 0.00 41.96 40.21 1mac s TYR 209 CO -0.03 -0.69 0.10 0.99 -1.34 0.00 0.00 175.55 174.58 1mac s THR 210 N 1.37 3.78 0.97 4.34 2.01 -0.06 -0.03 115.64 128.02 1mac s THR 210 Ca 0.05 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 1mac s THR 210 Cb -0.14 -3.11 0.17 0.00 0.01 0.00 0.00 72.50 69.43 1mac s THR 210 CO -0.08 -0.14 1.09 -0.94 -0.69 0.00 0.00 174.62 173.85 1mac s SER 211 N 1.41 2.79 0.00 3.53 1.04 -0.14 -1.97 113.70 120.36 1mac s SER 211 Ca -0.01 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1mac s SER 211 Cb -0.19 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1mac s SER 211 CO 0.03 -3.06 0.00 0.59 0.98 0.00 0.00 173.24 171.77