#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5m s LYS 2 N 0.00 2.82 0.00 4.33 1.02 -1.26 -4.91 119.74 121.74 2a5m s LYS 2 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2a5m s LYS 2 Cb 0.00 -4.67 0.00 0.00 -0.52 0.00 0.00 37.83 32.64 2a5m s LYS 2 CO 0.00 -2.76 0.00 0.25 -0.92 0.00 0.00 175.35 171.92 2a5m n THR 3 N 7.23 0.00 0.00 2.17 -2.24 -1.26 -5.13 114.28 115.05 2a5m n THR 3 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2a5m n THR 3 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2a5m n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5m n GLY 4 N 5.00 -1.57 3.81 3.38 0.00 -1.26 -5.15 105.19 109.39 2a5m n GLY 4 Ca 0.00 0.93 -0.34 0.00 0.00 0.00 0.00 46.02 46.61 2a5m n GLY 4 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a5m s GLY 5 N 0.00 2.46 -0.14 -0.02 0.00 -1.26 -4.73 107.32 103.63 2a5m s GLY 5 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 2a5m s GLY 5 CO 0.00 0.78 0.36 1.25 0.00 0.00 0.00 173.10 175.49 2a5m s LYS 6 N -3.12 0.39 -0.00 2.90 2.20 -0.80 -4.52 119.74 116.79 2a5m s LYS 6 Ca 0.63 0.59 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 2a5m s LYS 6 Cb -0.12 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 2a5m s LYS 6 CO 0.16 -0.09 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.43 2a5m s ILE 7 N 0.66 1.01 -0.09 5.43 2.07 -0.88 -1.75 121.20 127.65 2a5m s ILE 7 Ca -0.04 -0.61 0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2a5m s ILE 7 Cb -0.05 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.68 2a5m s ILE 7 CO -0.04 0.24 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.57 2a5m s SER 8 N -0.42 2.89 -0.08 4.50 0.01 0.10 -1.51 113.70 119.21 2a5m s SER 8 Ca 0.04 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2a5m s SER 8 Cb -0.05 -1.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.83 2a5m s SER 8 CO -0.00 0.14 -0.05 -0.36 0.41 0.00 0.00 173.24 173.38 2a5m s PHE 9 N 0.38 2.99 -0.02 2.43 0.40 -0.17 -1.03 117.98 122.96 2a5m s PHE 9 Ca -0.18 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2a5m s PHE 9 Cb -0.18 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 2a5m s PHE 9 CO 0.08 0.33 -0.22 0.71 0.70 0.00 0.00 175.22 176.82 2a5m s TYR 10 N -0.74 1.97 0.30 0.36 1.51 -0.65 -1.23 117.35 118.89 2a5m s TYR 10 Ca 0.11 -0.41 0.16 0.00 -1.01 0.00 0.00 57.07 55.93 2a5m s TYR 10 Cb -0.11 -1.28 0.76 0.00 -0.11 0.00 0.00 41.96 41.22 2a5m s TYR 10 CO 0.02 -0.06 1.80 0.93 -1.11 0.00 0.00 175.55 177.13 2a5m h GLU 11 N 5.68 0.00 -5.86 -0.62 5.08 -1.42 0.06 114.58 117.51 2a5m h GLU 11 Ca -0.39 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.40 2a5m h GLU 11 Cb 1.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2a5m h GLU 11 CO 0.48 0.37 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.84 2a5m s ASP 12 N -6.66 4.35 0.66 1.42 1.01 -0.54 -3.84 116.67 113.07 2a5m s ASP 12 Ca -0.02 -1.13 -0.13 0.00 0.71 0.00 0.00 52.55 51.99 2a5m s ASP 12 Cb 0.13 -0.44 -0.01 0.00 1.01 0.00 0.00 42.92 43.61 2a5m s ASP 12 CO 0.70 -0.54 1.06 -0.13 0.21 0.00 0.00 175.17 176.47 2a5m s ARG 13 N -3.89 3.03 -1.12 8.23 0.52 -1.26 -3.60 118.95 120.86 2a5m s ARG 13 Ca 0.40 1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 56.66 2a5m s ARG 13 Cb 0.05 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2a5m s ARG 13 CO 0.22 -1.04 0.43 -1.71 0.02 0.00 0.00 175.30 173.22 2a5m n ASN 14 N -2.70 -4.84 -3.95 0.23 4.05 0.13 -3.08 115.26 105.11 2a5m n ASN 14 Ca 0.08 -0.20 -0.28 0.00 0.45 0.00 0.00 54.58 54.63 2a5m n ASN 14 Cb 0.53 -3.70 -0.00 0.00 1.23 0.00 0.00 39.78 37.84 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 2a5m n PHE 15 N -4.16 -1.88 -4.12 1.20 -1.74 -1.25 -4.98 117.46 100.54 2a5m n PHE 15 Ca -0.08 0.81 -0.23 0.00 -0.56 0.00 0.00 57.45 57.39 2a5m n PHE 15 Cb 0.59 -3.77 -0.07 0.00 1.52 0.00 0.00 39.48 37.75 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2a5m s GLN 16 N -6.53 2.32 0.76 3.97 -0.21 -1.18 -5.01 119.66 113.78 2a5m s GLN 16 Ca 0.31 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.08 2a5m s GLN 16 Cb -0.16 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2a5m s GLN 16 CO 0.87 0.07 0.00 0.41 -2.12 0.00 0.00 175.29 174.52 2a5m n GLY 17 N -1.15 -1.86 3.77 3.09 0.00 -1.26 -1.47 105.19 106.32 2a5m n GLY 17 Ca -0.03 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 2a5m n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 18 N 0.00 4.10 0.09 1.61 3.52 -1.26 -4.73 118.95 122.28 2a5m s ARG 18 Ca 0.00 1.99 0.10 0.00 -0.13 0.00 0.00 55.73 57.70 2a5m s ARG 18 Cb 0.00 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 2a5m s ARG 18 CO 0.00 -0.33 -0.26 0.50 -0.81 0.00 0.00 175.30 174.40 2a5m s ARG 19 N -2.15 1.59 -0.06 5.12 3.52 -1.26 -1.69 118.95 124.01 2a5m s ARG 19 Ca 0.55 -1.24 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2a5m s ARG 19 Cb -0.34 -1.95 0.02 0.00 -1.56 0.00 0.00 34.95 31.12 2a5m s ARG 19 CO 0.44 0.48 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.88 2a5m s TYR 20 N -0.96 1.00 -0.08 5.12 5.04 -0.36 -4.97 117.35 122.14 2a5m s TYR 20 Ca 0.13 -0.35 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 2a5m s TYR 20 Cb -0.10 -0.86 -0.03 0.00 0.35 0.00 0.00 41.96 41.32 2a5m s TYR 20 CO 0.05 -0.28 -0.11 0.34 -1.34 0.00 0.00 175.55 174.21 2a5m s ASP 21 N 1.15 4.31 -0.02 4.32 2.15 -1.26 -1.00 116.67 126.33 2a5m s ASP 21 Ca -0.07 -0.14 0.03 0.00 0.43 0.00 0.00 52.55 52.80 2a5m s ASP 21 Cb -0.14 -1.15 -0.01 0.00 -0.30 0.00 0.00 42.92 41.33 2a5m s ASP 21 CO -0.01 0.31 -0.11 0.00 -0.17 0.00 0.00 175.17 175.19 2a5m n ASP 23 N 2.95 2.42 -3.45 0.00 5.68 -1.26 -2.07 116.55 120.83 2a5m n ASP 23 Ca -0.15 -2.09 -0.09 0.00 -0.50 0.00 0.00 54.79 51.96 2a5m n ASP 23 Cb 0.55 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.40 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a5m s ASP 25 N -3.03 5.61 -0.14 0.00 -1.08 -1.26 -4.80 116.67 111.97 2a5m s ASP 25 Ca 0.17 2.84 -0.01 0.00 -0.52 0.00 0.00 52.55 55.03 2a5m s ASP 25 Cb -0.04 -2.64 0.04 0.00 -1.46 0.00 0.00 42.92 38.81 2a5m s ASP 25 CO 0.11 -1.35 -0.02 0.00 0.52 0.00 0.00 175.17 174.43 2a5m h ALA 27 N 8.21 0.82 -1.51 0.00 0.00 -1.88 -1.48 119.26 123.41 2a5m h ALA 27 Ca -0.22 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2a5m h ALA 27 Cb 1.12 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.59 2a5m h ALA 27 CO 0.35 0.45 -0.48 0.16 0.00 0.00 0.00 179.25 179.73 2a5m s ASP 28 N -6.36 -0.21 -0.01 0.00 -4.77 -1.25 -2.06 116.67 102.01 2a5m s ASP 28 Ca 0.03 -0.12 0.17 0.00 -3.30 0.00 0.00 52.55 49.33 2a5m s ASP 28 Cb 0.08 1.39 0.49 0.00 -1.09 0.00 0.00 42.92 43.79 2a5m s ASP 28 CO 0.70 -0.33 1.41 2.22 0.70 0.00 0.00 175.17 179.87 2a5m n PHE 29 N 5.37 0.76 0.31 2.11 -1.74 -1.05 -4.52 117.46 118.71 2a5m n PHE 29 Ca 0.01 -0.51 0.18 0.00 -0.56 0.00 0.00 57.45 56.57 2a5m n PHE 29 Cb 0.51 -0.03 1.04 0.00 1.52 0.00 0.00 39.48 42.52 2a5m n PHE 29 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a5m h ARG 30 N 3.17 0.00 0.00 3.97 2.47 -1.76 -0.98 114.38 121.25 2a5m h ARG 30 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2a5m h ARG 30 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2a5m h ARG 30 CO 0.01 0.00 0.00 0.77 0.56 0.00 0.00 179.97 181.32 2a5m h SER 31 N 0.00 0.00 0.00 7.04 0.02 -1.98 -3.14 113.55 115.50 2a5m h SER 31 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2a5m h SER 31 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2a5m h SER 31 CO 0.00 0.00 -1.92 -1.22 -1.14 0.00 0.00 176.83 172.55 2a5m n TYR 32 N -2.61 0.00 -3.70 3.45 4.02 -0.43 -4.94 117.16 112.96 2a5m n TYR 32 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.82 2a5m n TYR 32 Cb 0.39 -0.49 -0.11 0.00 -0.02 0.00 0.00 39.34 39.11 2a5m n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2a5m s LEU 33 N -4.45 0.01 0.02 7.72 2.96 -0.86 -4.82 118.68 119.26 2a5m s LEU 33 Ca -0.07 0.79 0.27 0.00 -0.22 0.00 0.00 54.13 54.90 2a5m s LEU 33 Cb 0.12 1.17 0.81 0.00 0.50 0.00 0.00 46.19 48.79 2a5m s LEU 33 CO 0.80 -0.19 1.64 -1.54 -1.32 0.00 0.00 176.35 175.74 2a5m n SER 34 N 4.33 0.34 -3.57 3.68 3.41 -1.26 -4.19 113.62 116.36 2a5m n SER 34 Ca -0.23 0.14 -0.06 0.00 -0.26 0.00 0.00 58.87 58.47 2a5m n SER 34 Cb 0.54 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 2a5m n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a5m s ARG 35 N -3.02 0.68 -0.14 4.33 1.70 -1.26 -4.97 118.95 116.27 2a5m s ARG 35 Ca 0.12 -0.28 -0.04 0.00 -0.47 0.00 0.00 55.73 55.06 2a5m s ARG 35 Cb 0.17 0.29 0.06 0.00 -0.57 0.00 0.00 34.95 34.91 2a5m s ARG 35 CO 0.63 -0.30 0.17 0.00 -1.08 0.00 0.00 175.30 174.72 2a5m n ASN 37 N 5.32 2.09 -3.56 0.00 5.03 0.00 -4.46 115.26 119.68 2a5m n ASN 37 Ca -0.05 -1.55 -0.14 0.00 0.87 0.00 0.00 54.58 53.71 2a5m n ASN 37 Cb 0.50 -0.03 -0.05 0.00 -1.02 0.00 0.00 39.78 39.18 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2a5m s SER 38 N -0.97 -0.47 -0.03 6.41 0.15 -1.20 0.14 113.70 117.73 2a5m s SER 38 Ca 0.15 0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.91 2a5m s SER 38 Cb 0.10 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2a5m s SER 38 CO 0.15 -0.73 0.21 -0.63 1.20 0.00 0.00 173.24 173.44 2a5m s ILE 39 N -2.45 0.05 -0.13 6.45 1.01 -0.80 -1.63 121.20 123.70 2a5m s ILE 39 Ca -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.19 2a5m s ILE 39 Cb -0.01 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 42.03 2a5m s ILE 39 CO -0.02 -0.23 -0.18 -0.60 0.00 0.00 0.00 174.94 173.91 2a5m s ARG 40 N -0.91 2.58 -0.31 2.79 3.52 -0.19 -0.88 118.95 125.56 2a5m s ARG 40 Ca -0.10 -0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 2a5m s ARG 40 Cb -0.05 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 2a5m s ARG 40 CO 0.02 -0.08 0.12 0.08 -0.81 0.00 0.00 175.30 174.63 2a5m s VAL 41 N 1.01 4.26 0.03 7.11 1.01 0.77 -0.72 120.40 133.87 2a5m s VAL 41 Ca -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2a5m s VAL 41 Cb -0.15 -3.20 -0.26 0.00 0.00 0.00 0.00 36.38 32.78 2a5m s VAL 41 CO -0.04 0.05 0.94 -0.33 0.00 0.00 0.00 175.10 175.73 2a5m h GLU 42 N 8.29 0.17 -1.88 2.72 3.07 -1.59 -2.03 114.58 123.33 2a5m h GLU 42 Ca -0.31 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.36 58.24 2a5m h GLU 42 Cb 1.13 0.11 -0.20 0.00 -0.84 0.00 0.00 28.75 28.95 2a5m h GLU 42 CO 0.61 1.02 0.28 0.20 -1.40 0.00 0.00 179.01 179.72 2a5m s GLY 43 N -4.90 -0.50 0.00 -3.84 0.00 -1.24 -4.85 107.32 92.00 2a5m s GLY 43 Ca -0.06 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.18 2a5m s GLY 43 CO 0.84 0.99 0.00 0.61 0.00 0.00 0.00 173.10 175.55 2a5m n GLY 44 N 0.90 -1.14 3.30 0.20 0.00 -1.26 -1.91 105.19 105.27 2a5m n GLY 44 Ca -0.17 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 2a5m n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5m s THR 45 N -1.61 2.11 0.14 2.61 2.01 -1.26 -2.84 115.64 116.81 2a5m s THR 45 Ca 0.00 -1.06 0.08 0.00 0.31 0.00 0.00 61.69 61.02 2a5m s THR 45 Cb 0.00 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2a5m s THR 45 CO 0.00 0.57 -0.18 0.26 -0.69 0.00 0.00 174.62 174.59 2a5m s TRP 46 N -0.36 1.71 -0.13 4.92 0.52 -0.55 0.11 118.94 125.16 2a5m s TRP 46 Ca 0.02 -0.48 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 2a5m s TRP 46 Cb -0.12 -0.88 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 2a5m s TRP 46 CO 0.02 0.26 -0.02 0.00 0.02 0.00 0.00 176.95 177.23 2a5m s ALA 47 N -1.87 3.12 -0.00 0.98 0.00 0.86 0.24 121.76 125.08 2a5m s ALA 47 Ca 0.12 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2a5m s ALA 47 Cb -0.06 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 2a5m s ALA 47 CO 0.05 0.34 -0.20 0.14 0.00 0.00 0.00 175.76 176.09 2a5m s VAL 48 N -0.06 2.62 0.02 0.00 -7.23 -0.28 -0.69 120.40 114.78 2a5m s VAL 48 Ca 0.03 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.25 2a5m s VAL 48 Cb -0.13 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2a5m s VAL 48 CO 0.02 0.49 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.74 2a5m s TYR 49 N -0.77 2.21 0.33 2.82 1.51 0.48 -1.95 117.35 121.99 2a5m s TYR 49 Ca 0.12 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 2a5m s TYR 49 Cb -0.10 -1.36 0.58 0.00 -0.11 0.00 0.00 41.96 40.97 2a5m s TYR 49 CO 0.02 0.07 1.85 1.49 -1.11 0.00 0.00 175.55 177.87 2a5m h GLU 50 N 5.04 0.50 -5.84 -0.62 4.81 -1.36 -0.64 114.58 116.47 2a5m h GLU 50 Ca -0.44 -0.12 -0.51 0.00 -0.13 0.00 0.00 59.36 58.16 2a5m h GLU 50 Cb 1.14 -0.07 -0.16 0.00 0.63 0.00 0.00 28.75 30.30 2a5m h GLU 50 CO 0.45 0.57 -0.76 1.03 -0.73 0.00 0.00 179.01 179.56 2a5m s ARG 51 N -4.87 1.36 1.07 1.92 0.52 -0.60 -2.63 118.95 115.72 2a5m s ARG 51 Ca -0.07 -1.54 -0.16 0.00 -0.52 0.00 0.00 55.73 53.44 2a5m s ARG 51 Cb 0.15 -1.32 0.10 0.00 0.52 0.00 0.00 34.95 34.40 2a5m s ARG 51 CO 0.77 0.25 0.23 -0.35 0.02 0.00 0.00 175.30 176.21 2a5m n PRO 52 N -0.12 -1.22 -3.11 3.54 -0.04 -1.26 -2.69 135.00 130.10 2a5m n PRO 52 Ca -0.10 -0.33 -0.19 0.00 -0.04 0.00 0.00 63.50 62.84 2a5m n PRO 52 Cb 0.59 -1.80 0.05 0.00 -0.04 0.00 0.00 33.50 32.30 2a5m n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2a5m n ASN 53 N -1.85 -5.43 -4.06 3.54 3.02 -0.88 -3.10 115.26 106.51 2a5m n ASN 53 Ca 0.03 -0.32 -0.30 0.00 -0.03 0.00 0.00 54.58 53.95 2a5m n ASN 53 Cb 0.59 -4.17 -0.03 0.00 -0.61 0.00 0.00 39.78 35.56 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2a5m n PHE 54 N -4.40 -1.52 -4.41 3.10 3.72 -1.25 -4.96 117.46 107.75 2a5m n PHE 54 Ca -0.05 0.59 -0.20 0.00 -0.05 0.00 0.00 57.45 57.74 2a5m n PHE 54 Cb 0.58 -3.30 -0.10 0.00 -0.94 0.00 0.00 39.48 35.72 2a5m n PHE 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2a5m s SER 55 N -4.19 2.66 0.00 4.37 0.15 -1.10 -5.04 113.70 110.57 2a5m s SER 55 Ca 0.11 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.60 2a5m s SER 55 Cb -0.05 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2a5m s SER 55 CO 0.93 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.66 2a5m n GLY 56 N -0.53 -1.73 3.75 9.45 0.00 -1.26 -1.55 105.19 113.32 2a5m n GLY 56 Ca -0.06 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2a5m n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a5m s HIS 57 N 0.00 2.89 -0.06 1.61 3.76 -1.26 -4.67 115.29 117.56 2a5m s HIS 57 Ca 0.00 1.03 0.05 0.00 -0.15 0.00 0.00 55.06 56.00 2a5m s HIS 57 Cb 0.00 -3.89 -0.01 0.00 1.11 0.00 0.00 32.58 29.78 2a5m s HIS 57 CO 0.00 -2.84 -0.22 0.00 -0.85 0.00 0.00 174.74 170.82 2a5m s MET 58 N -0.83 2.61 0.00 1.40 0.00 -1.26 -1.80 119.30 119.41 2a5m s MET 58 Ca 0.58 -0.86 0.02 0.00 0.00 0.00 0.00 55.69 55.43 2a5m s MET 58 Cb -0.44 -2.23 -0.01 0.00 0.00 0.00 0.00 34.83 32.15 2a5m s MET 58 CO 0.48 0.41 -0.06 0.71 0.00 0.00 0.00 175.02 176.56 2a5m s TYR 59 N -0.21 0.54 -0.13 3.16 2.02 -0.82 -3.99 117.35 117.91 2a5m s TYR 59 Ca -0.02 -0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.42 2a5m s TYR 59 Cb -0.13 -0.35 -0.05 0.00 -0.40 0.00 0.00 41.96 41.03 2a5m s TYR 59 CO 0.03 -0.02 0.28 0.42 -1.57 0.00 0.00 175.55 174.69 2a5m s ILE 60 N -0.27 5.30 -0.23 2.71 1.09 -1.26 -1.13 121.20 127.41 2a5m s ILE 60 Ca 0.01 0.52 0.01 0.00 -1.10 0.00 0.00 60.65 60.10 2a5m s ILE 60 Cb -0.03 -3.60 0.05 0.00 -1.06 0.00 0.00 42.46 37.82 2a5m s ILE 60 CO -0.00 0.45 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.45 2a5m s LEU 61 N 0.01 2.67 0.92 2.97 1.43 0.14 -4.97 118.68 121.84 2a5m s LEU 61 Ca 0.17 -1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 2a5m s LEU 61 Cb -0.13 -1.29 0.15 0.00 0.03 0.00 0.00 46.19 44.94 2a5m s LEU 61 CO 0.05 -0.19 1.16 -2.16 0.23 0.00 0.00 176.35 175.44 2a5m s PRO 62 N 1.32 1.06 0.33 1.29 0.04 -1.26 -1.49 135.00 136.29 2a5m s PRO 62 Ca -0.05 0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.88 2a5m s PRO 62 Cb -0.18 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 2a5m s PRO 62 CO -0.07 -2.23 1.05 0.94 0.04 0.00 0.00 177.00 176.74 2a5m n GLN 63 N -3.76 1.48 -3.06 4.56 0.00 -1.13 -4.84 117.38 110.62 2a5m n GLN 63 Ca 0.08 0.52 0.00 0.00 -0.00 0.00 0.00 57.00 57.60 2a5m n GLN 63 Cb 0.60 -1.96 0.00 0.00 0.00 0.00 0.00 30.24 28.88 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2a5m n GLY 64 N 1.14 -1.85 3.22 1.69 0.00 -0.76 -4.98 105.19 103.65 2a5m n GLY 64 Ca 0.09 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 2a5m n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a5m s GLU 65 N -1.80 2.88 -0.41 1.61 2.56 -1.26 -0.16 118.70 122.12 2a5m s GLU 65 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 54.97 54.14 2a5m s GLU 65 Cb 0.00 -2.23 0.11 0.00 2.00 0.00 0.00 34.13 34.01 2a5m s GLU 65 CO 0.00 0.22 0.15 0.71 -0.56 0.00 0.00 175.26 175.78 2a5m s TYR 66 N 0.24 3.16 -1.65 5.30 2.02 -0.06 -4.98 117.35 121.38 2a5m s TYR 66 Ca -0.15 -2.88 0.09 0.00 -0.37 0.00 0.00 57.07 53.75 2a5m s TYR 66 Cb -0.17 -2.66 0.47 0.00 -0.40 0.00 0.00 41.96 39.21 2a5m s TYR 66 CO 0.08 -0.85 1.08 -2.30 -1.57 0.00 0.00 175.55 171.99 2a5m n PRO 67 N 3.82 0.19 -3.53 -1.71 -0.02 -1.26 -1.91 135.00 130.56 2a5m n PRO 67 Ca 0.04 0.12 -0.14 0.00 -2.02 0.00 0.00 63.50 61.50 2a5m n PRO 67 Cb 0.38 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.31 2a5m n PRO 67 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2a5m s GLU 68 N -2.35 1.09 0.28 -0.52 2.02 -1.26 -0.69 118.70 117.27 2a5m s GLU 68 Ca 0.10 -0.19 -0.03 0.00 0.02 0.00 0.00 54.97 54.87 2a5m s GLU 68 Cb 0.06 0.50 0.37 0.00 0.10 0.00 0.00 34.13 35.17 2a5m s GLU 68 CO 0.12 -0.40 1.92 0.10 0.02 0.00 0.00 175.26 177.02 2a5m h TYR 69 N 2.66 1.08 -0.02 1.61 -0.00 0.95 -1.63 116.97 121.62 2a5m h TYR 69 Ca -0.31 -0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.43 2a5m h TYR 69 Cb 1.22 -0.36 -0.00 0.00 0.00 0.00 0.00 36.73 37.59 2a5m h TYR 69 CO 0.34 0.72 0.02 1.96 -0.00 0.00 0.00 178.16 181.20 2a5m h GLN 70 N 1.13 0.00 0.00 0.10 4.20 -1.85 0.26 115.11 118.95 2a5m h GLN 70 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2a5m h GLN 70 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2a5m h GLN 70 CO -0.06 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.10 2a5m h ARG 71 N 0.00 0.00 -0.49 1.46 2.47 -1.68 -1.23 114.38 114.92 2a5m h ARG 71 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2a5m h ARG 71 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2a5m h ARG 71 CO -0.00 0.00 0.00 1.87 0.56 0.00 0.00 179.97 182.40 2a5m n TRP 72 N -2.80 0.65 -1.70 3.04 -0.00 0.85 -4.93 117.44 112.54 2a5m n TRP 72 Ca 0.01 -0.49 -0.20 0.00 -0.00 0.00 0.00 57.50 56.82 2a5m n TRP 72 Cb 0.29 -0.02 -0.07 0.00 -0.00 0.00 0.00 31.31 31.51 2a5m n TRP 72 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 2a5m n MET 73 N 0.93 -1.43 -1.76 5.87 2.81 -0.46 -4.92 117.12 118.16 2a5m n MET 73 Ca 0.16 1.17 -0.39 0.00 -1.81 0.00 0.00 57.70 56.84 2a5m n MET 73 Cb 0.50 -5.57 0.03 0.00 -0.71 0.00 0.00 33.22 27.48 2a5m n MET 73 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2a5m s GLY 74 N -2.69 2.90 0.15 3.03 0.00 -0.86 -4.89 107.32 104.96 2a5m s GLY 74 Ca 0.00 1.41 0.08 0.00 0.00 0.00 0.00 44.72 46.21 2a5m s GLY 74 CO 0.00 1.97 1.34 1.41 0.00 0.00 0.00 173.10 177.82 2a5m h LEU 75 N 1.75 0.00 0.00 0.66 4.07 -1.91 -3.43 115.31 116.45 2a5m h LEU 75 Ca -0.51 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.43 2a5m h LEU 75 Cb 1.29 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.03 2a5m h LEU 75 CO 0.59 0.93 0.03 0.59 -1.08 0.00 0.00 178.44 179.49 2a5m n ASN 76 N -3.43 -0.32 -2.01 -0.43 3.02 -1.26 -5.03 115.26 105.79 2a5m n ASN 76 Ca -0.00 -1.26 -0.17 0.00 -0.03 0.00 0.00 54.58 53.12 2a5m n ASN 76 Cb 0.88 0.55 0.18 0.00 -0.61 0.00 0.00 39.78 40.78 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2a5m n ASP 77 N -1.34 3.86 -4.62 6.41 5.68 -1.26 -4.91 116.55 120.37 2a5m n ASP 77 Ca -0.01 -3.30 -0.39 0.00 -0.50 0.00 0.00 54.79 50.59 2a5m n ASP 77 Cb 0.09 -0.77 -0.09 0.00 -1.14 0.00 0.00 41.12 39.21 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2a5m s ARG 78 N -2.80 4.04 -0.10 0.11 1.81 -1.26 -2.01 118.95 118.75 2a5m s ARG 78 Ca 0.49 0.00 -0.04 0.00 -1.72 0.00 0.00 55.73 54.46 2a5m s ARG 78 Cb 0.41 -3.62 0.05 0.00 -0.45 0.00 0.00 34.95 31.33 2a5m s ARG 78 CO 0.10 -0.19 0.19 -0.51 -0.68 0.00 0.00 175.30 174.21 2a5m s LEU 79 N 1.81 -0.13 -0.01 2.53 1.43 -1.24 -4.33 118.68 118.73 2a5m s LEU 79 Ca 0.14 0.38 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2a5m s LEU 79 Cb -0.15 0.38 -0.13 0.00 0.03 0.00 0.00 46.19 46.32 2a5m s LEU 79 CO 0.09 -0.25 0.29 0.61 0.23 0.00 0.00 176.35 177.32 2a5m n GLY 80 N 5.33 -0.21 3.37 -3.19 0.00 -0.26 -4.79 105.19 105.45 2a5m n GLY 80 Ca -0.05 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2a5m n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a5m s SER 81 N -2.61 -0.39 -0.01 1.61 0.15 -1.16 -2.52 113.70 108.77 2a5m s SER 81 Ca -0.01 0.07 -0.09 0.00 0.70 0.00 0.00 55.95 56.63 2a5m s SER 81 Cb 0.07 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2a5m s SER 81 CO 0.39 -0.73 0.18 0.00 1.20 0.00 0.00 173.24 174.28 2a5m s ARG 83 N -1.19 0.48 0.04 0.00 0.52 0.13 -0.72 118.95 118.21 2a5m s ARG 83 Ca -0.13 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 2a5m s ARG 83 Cb -0.06 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.91 2a5m s ARG 83 CO 0.02 0.12 1.04 0.00 0.02 0.00 0.00 175.30 176.50 2a5m s ALA 84 N -0.20 3.24 -0.20 2.13 0.00 -1.26 -0.09 121.76 125.37 2a5m s ALA 84 Ca 0.02 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2a5m s ALA 84 Cb -0.03 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2a5m s ALA 84 CO -0.00 -0.25 0.62 0.08 0.00 0.00 0.00 175.76 176.21 2a5m s VAL 85 N 0.81 5.02 -0.03 0.00 1.01 0.30 -4.88 120.40 122.63 2a5m s VAL 85 Ca 0.53 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 63.49 2a5m s VAL 85 Cb -0.24 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2a5m s VAL 85 CO 0.29 0.11 0.52 -1.00 0.00 0.00 0.00 175.10 175.02 2a5m s HIS 86 N 1.92 3.66 -0.13 5.22 3.76 -1.26 -4.11 115.29 124.35 2a5m s HIS 86 Ca 0.28 1.08 -0.08 0.00 -0.15 0.00 0.00 55.06 56.19 2a5m s HIS 86 Cb -0.16 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 2a5m s HIS 86 CO 0.10 0.38 0.14 -0.51 -0.85 0.00 0.00 174.74 174.01 2a5m s LEU 87 N -0.23 4.36 -0.18 0.89 1.43 -1.26 -4.74 118.68 118.96 2a5m s LEU 87 Ca 0.28 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.79 2a5m s LEU 87 Cb -0.17 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 2a5m s LEU 87 CO 0.15 0.37 -0.06 -0.55 0.23 0.00 0.00 176.35 176.49 2a5m s SER 88 N -0.82 4.38 0.00 2.29 0.15 -1.26 -5.04 113.70 113.39 2a5m s SER 88 Ca 0.14 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2a5m s SER 88 Cb -0.12 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2a5m s SER 88 CO 0.03 0.08 0.00 -1.54 1.20 0.00 0.00 173.24 173.01 2a5m n SER 89 N 4.11 0.16 0.00 5.45 3.41 -1.26 -4.90 113.62 120.59 2a5m n SER 89 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2a5m n SER 89 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2a5m n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a5m n GLY 90 N 5.00 4.14 0.00 5.00 0.00 -1.26 -5.03 105.19 113.04 2a5m n GLY 90 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2a5m n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5m n GLY 91 N 0.00 -1.80 3.09 -0.02 0.00 -1.26 -5.12 105.19 100.08 2a5m n GLY 91 Ca 0.00 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.50 2a5m n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 92 N 0.00 2.77 0.09 1.61 0.74 -1.26 -5.10 119.66 118.50 2a5m s GLN 92 Ca 0.00 -0.74 -0.30 0.00 0.05 0.00 0.00 55.36 54.36 2a5m s GLN 92 Cb 0.00 -2.41 -0.06 0.00 1.10 0.00 0.00 33.01 31.64 2a5m s GLN 92 CO 0.00 -0.20 1.16 0.00 -0.55 0.00 0.00 175.29 175.69 2a5m s ALA 93 N 1.31 3.37 -0.02 1.58 0.00 -1.26 -5.03 121.76 121.71 2a5m s ALA 93 Ca 0.04 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.85 2a5m s ALA 93 Cb -0.13 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 2a5m s ALA 93 CO -0.11 -0.36 -0.11 0.21 0.00 0.00 0.00 175.76 175.38 2a5m s LYS 94 N 0.68 1.02 0.02 0.00 2.20 -1.26 -4.63 119.74 117.77 2a5m s LYS 94 Ca 0.56 -0.38 0.05 0.00 -0.36 0.00 0.00 55.97 55.84 2a5m s LYS 94 Cb -0.29 -0.96 -0.02 0.00 -1.51 0.00 0.00 37.83 35.06 2a5m s LYS 94 CO 0.31 0.19 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.82 2a5m s ILE 95 N -0.03 1.30 -0.05 5.43 2.07 -0.88 -4.50 121.20 124.53 2a5m s ILE 95 Ca 0.00 -0.88 0.04 0.00 -1.41 0.00 0.00 60.65 58.40 2a5m s ILE 95 Cb -0.07 -1.12 -0.00 0.00 0.13 0.00 0.00 42.46 41.40 2a5m s ILE 95 CO 0.00 0.22 -0.18 0.00 -1.91 0.00 0.00 174.94 173.07 2a5m s GLN 96 N -0.77 1.93 0.08 3.50 0.00 -1.26 -1.68 119.66 121.46 2a5m s GLN 96 Ca 0.05 -0.64 0.08 0.00 -0.00 0.00 0.00 55.36 54.84 2a5m s GLN 96 Cb -0.07 -1.65 -0.03 0.00 0.00 0.00 0.00 33.01 31.26 2a5m s GLN 96 CO 0.00 0.24 -0.20 0.14 0.00 0.00 0.00 175.29 175.47 2a5m s VAL 97 N 0.08 1.62 -0.01 3.63 -7.23 -0.45 -3.31 120.40 114.73 2a5m s VAL 97 Ca -0.05 -1.41 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 2a5m s VAL 97 Cb -0.12 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2a5m s VAL 97 CO 0.03 -0.00 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.23 2a5m s PHE 98 N -1.06 2.43 0.38 2.82 0.40 -0.89 -1.72 117.98 120.34 2a5m s PHE 98 Ca 0.06 -0.35 0.13 0.00 -0.60 0.00 0.00 56.93 56.17 2a5m s PHE 98 Cb -0.10 -1.51 0.78 0.00 0.51 0.00 0.00 43.02 42.70 2a5m s PHE 98 CO 0.03 0.06 1.86 1.49 0.70 0.00 0.00 175.22 179.36 2a5m h GLU 99 N 5.26 0.00 -5.87 0.44 4.81 -1.11 -3.35 114.58 114.75 2a5m h GLU 99 Ca -0.45 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.19 2a5m h GLU 99 Cb 1.13 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 99 CO 0.47 0.34 -0.58 0.15 -0.73 0.00 0.00 179.01 178.66 2a5m s LYS 100 N -4.25 2.08 0.93 1.92 1.02 0.14 -4.37 119.74 117.21 2a5m s LYS 100 Ca -0.03 -1.89 -0.11 0.00 0.02 0.00 0.00 55.97 53.96 2a5m s LYS 100 Cb 0.14 -1.85 0.15 0.00 -0.52 0.00 0.00 37.83 35.75 2a5m s LYS 100 CO 0.72 0.00 1.09 0.20 -0.92 0.00 0.00 175.35 176.44 2a5m s GLY 101 N -3.77 1.63 -1.46 -3.33 0.00 -1.26 -2.99 107.32 96.14 2a5m s GLY 101 Ca 0.37 0.11 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 2a5m s GLY 101 CO 0.20 0.60 1.03 1.22 0.00 0.00 0.00 173.10 176.15 2a5m n ASP 102 N -4.09 -5.56 -3.67 1.64 9.92 -0.54 -2.67 116.55 111.58 2a5m n ASP 102 Ca 0.08 -0.63 -0.25 0.00 -0.53 0.00 0.00 54.79 53.45 2a5m n ASP 102 Cb 0.54 -4.41 0.04 0.00 -0.64 0.00 0.00 41.12 36.65 2a5m n ASP 102 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2a5m n PHE 103 N -4.79 -1.95 -4.38 1.24 3.72 -1.24 -5.00 117.46 105.06 2a5m n PHE 103 Ca 0.02 0.66 -0.19 0.00 -0.05 0.00 0.00 57.45 57.89 2a5m n PHE 103 Cb 0.55 -3.87 -0.10 0.00 -0.94 0.00 0.00 39.48 35.11 2a5m n PHE 103 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2a5m s ASN 104 N -3.86 2.23 0.00 4.37 0.01 -1.09 -5.01 114.94 111.59 2a5m s ASN 104 Ca 0.26 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 2a5m s ASN 104 Cb -0.08 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2a5m s ASN 104 CO 0.83 -0.46 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 2a5m n GLY 105 N -0.51 -1.79 3.77 0.66 0.00 -1.26 0.24 105.19 106.30 2a5m n GLY 105 Ca -0.05 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 2a5m n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 106 N 0.00 4.25 -0.00 1.61 2.00 -1.26 -4.68 119.66 121.58 2a5m s GLN 106 Ca 0.00 1.61 0.06 0.00 -2.00 0.00 0.00 55.36 55.03 2a5m s GLN 106 Cb 0.00 -2.69 -0.03 0.00 0.80 0.00 0.00 33.01 31.09 2a5m s GLN 106 CO 0.00 -0.09 -0.19 1.41 -0.50 0.00 0.00 175.29 175.92 2a5m s MET 107 N -2.25 2.19 -0.02 1.67 -2.45 -1.26 -1.12 119.30 116.06 2a5m s MET 107 Ca 0.55 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 54.13 2a5m s MET 107 Cb -0.25 -2.20 -0.00 0.00 1.25 0.00 0.00 34.83 33.63 2a5m s MET 107 CO 0.32 0.57 -0.11 0.71 1.05 0.00 0.00 175.02 177.56 2a5m s TYR 108 N -0.78 1.07 -0.08 4.11 2.02 -0.70 -4.98 117.35 118.00 2a5m s TYR 108 Ca 0.12 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 2a5m s TYR 108 Cb -0.10 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 2a5m s TYR 108 CO 0.02 -0.09 -0.23 -2.00 -1.57 0.00 0.00 175.55 171.68 2a5m s GLU 109 N 0.08 2.76 -0.02 -0.62 2.56 -1.26 -1.34 118.70 120.85 2a5m s GLU 109 Ca -0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 54.97 53.95 2a5m s GLU 109 Cb -0.08 -2.26 0.02 0.00 2.00 0.00 0.00 34.13 33.81 2a5m s GLU 109 CO 0.00 0.33 0.29 -0.08 -0.56 0.00 0.00 175.26 175.24 2a5m s THR 110 N -0.02 0.06 -1.11 -1.70 -1.32 -0.68 -5.02 115.64 105.86 2a5m s THR 110 Ca -0.07 -0.47 0.13 0.00 -1.21 0.00 0.00 61.69 60.07 2a5m s THR 110 Cb -0.15 -0.58 0.38 0.00 -1.51 0.00 0.00 72.50 70.63 2a5m s THR 110 CO 0.05 -0.26 1.32 0.35 -2.21 0.00 0.00 174.62 173.87 2a5m n THR 111 N 1.39 1.03 -4.50 5.08 -2.24 -1.26 -2.08 114.28 111.70 2a5m n THR 111 Ca -0.21 -1.02 -0.25 0.00 -2.27 0.00 0.00 64.05 60.30 2a5m n THR 111 Cb 0.56 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 2a5m n THR 111 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a5m s GLU 112 N -1.04 1.73 0.70 -0.78 8.01 -1.26 -4.91 118.70 121.14 2a5m s GLU 112 Ca 0.29 -1.85 -0.15 0.00 0.01 0.00 0.00 54.97 53.26 2a5m s GLU 112 Cb 0.15 -1.65 0.02 0.00 -4.31 0.00 0.00 34.13 28.35 2a5m s GLU 112 CO 0.19 0.19 1.16 0.16 0.01 0.00 0.00 175.26 176.97 2a5m s ASP 113 N -3.55 4.57 -0.25 -0.19 1.47 -1.26 -4.94 116.67 112.52 2a5m s ASP 113 Ca 0.31 2.19 0.02 0.00 1.18 0.00 0.00 52.55 56.24 2a5m s ASP 113 Cb -0.00 -2.57 0.06 0.00 -0.34 0.00 0.00 42.92 40.07 2a5m s ASP 113 CO 0.15 -2.00 -0.09 0.00 0.68 0.00 0.00 175.17 173.91 2a5m h PRO 115 N 7.85 0.11 -2.79 0.00 0.13 -1.89 -2.52 132.00 132.89 2a5m h PRO 115 Ca -0.19 -0.13 -0.42 0.00 -0.87 0.00 0.00 66.00 64.39 2a5m h PRO 115 Cb 1.06 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.84 2a5m h PRO 115 CO 0.44 0.93 -0.71 0.45 -0.23 0.00 0.00 178.00 178.88 2a5m s SER 116 N -6.86 2.18 0.22 1.44 0.15 -1.26 -2.08 113.70 107.49 2a5m s SER 116 Ca -0.02 -0.60 -0.07 0.00 0.70 0.00 0.00 55.95 55.97 2a5m s SER 116 Cb 0.10 -0.02 0.20 0.00 -1.71 0.00 0.00 66.02 64.59 2a5m s SER 116 CO 0.82 -0.36 1.78 0.40 1.20 0.00 0.00 173.24 177.08 2a5m h ILE 117 N 6.38 1.26 -0.44 6.45 2.04 -1.28 -1.98 117.51 129.94 2a5m h ILE 117 Ca -0.16 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 2a5m h ILE 117 Cb 1.13 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2a5m h ILE 117 CO 0.31 0.34 -0.11 -0.03 0.00 0.00 0.00 178.15 178.66 2a5m h MET 118 N 1.09 0.78 -0.29 2.37 4.05 -1.82 0.25 114.93 121.37 2a5m h MET 118 Ca 0.24 -0.26 -0.17 0.00 -0.28 0.00 0.00 59.70 59.23 2a5m h MET 118 Cb 0.26 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2a5m h MET 118 CO -0.01 0.86 -0.50 1.49 0.23 0.00 0.00 176.91 178.98 2a5m h GLU 119 N 0.71 0.83 0.04 0.39 4.57 -1.84 0.19 114.58 119.48 2a5m h GLU 119 Ca 0.12 -0.50 -0.08 0.00 -1.18 0.00 0.00 59.36 57.73 2a5m h GLU 119 Cb 0.59 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2a5m h GLU 119 CO 0.04 1.13 -0.35 0.37 -1.18 0.00 0.00 179.01 179.02 2a5m h GLN 120 N 0.65 0.09 -0.01 1.92 4.15 -1.15 -3.40 115.11 117.36 2a5m h GLN 120 Ca 0.03 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2a5m h GLN 120 Cb 1.09 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2a5m h GLN 120 CO 0.11 1.08 -0.06 1.19 -1.93 0.00 0.00 178.83 179.22 2a5m n PHE 121 N -4.44 0.00 -2.89 3.99 3.72 0.87 -4.99 117.46 113.73 2a5m n PHE 121 Ca -0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.06 2a5m n PHE 121 Cb 0.60 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.17 2a5m n PHE 121 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2a5m n HIS 122 N 0.29 -1.73 -4.85 1.38 8.25 0.06 -4.96 115.22 113.65 2a5m n HIS 122 Ca 0.05 0.42 -0.33 0.00 -0.26 0.00 0.00 57.72 57.61 2a5m n HIS 122 Cb 0.23 -4.27 -0.14 0.00 1.12 0.00 0.00 29.99 26.93 2a5m n HIS 122 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a5m s LEU 123 N -6.27 2.72 0.16 2.41 1.43 -1.24 -4.95 118.68 112.93 2a5m s LEU 123 Ca 0.25 -0.26 0.21 0.00 -1.03 0.00 0.00 54.13 53.30 2a5m s LEU 123 Cb -0.11 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2a5m s LEU 123 CO 0.30 0.26 0.97 0.54 0.23 0.00 0.00 176.35 178.66 2a5m n ARG 124 N 2.85 0.61 -3.90 1.70 1.74 -1.26 -3.40 116.66 115.01 2a5m n ARG 124 Ca -0.18 0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 2a5m n ARG 124 Cb 0.52 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.46 30.08 2a5m n ARG 124 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2a5m s GLU 125 N -3.25 1.09 -0.09 5.56 2.02 -1.26 -4.59 118.70 118.18 2a5m s GLU 125 Ca -0.01 -1.07 0.01 0.00 0.02 0.00 0.00 54.97 53.92 2a5m s GLU 125 Cb 0.09 0.39 0.02 0.00 0.10 0.00 0.00 34.13 34.73 2a5m s GLU 125 CO 0.80 -0.40 -0.11 0.42 0.02 0.00 0.00 175.26 175.99 2a5m s ILE 126 N -3.92 1.15 -0.32 -1.63 -1.09 -0.87 -4.91 121.20 109.61 2a5m s ILE 126 Ca 0.13 -0.44 0.11 0.00 -2.23 0.00 0.00 60.65 58.22 2a5m s ILE 126 Cb 0.03 -1.09 -0.14 0.00 -1.58 0.00 0.00 42.46 39.68 2a5m s ILE 126 CO -0.04 0.37 0.37 1.41 -1.23 0.00 0.00 174.94 175.83 2a5m n HIS 127 N 4.29 0.00 -3.49 3.97 8.25 -1.26 -4.69 115.22 122.29 2a5m n HIS 127 Ca -0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.13 2a5m n HIS 127 Cb 0.51 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 2a5m n HIS 127 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2a5m s SER 128 N -2.51 -0.57 -0.24 0.41 0.01 -1.25 -2.98 113.70 106.58 2a5m s SER 128 Ca 0.01 0.38 -0.26 0.00 1.31 0.00 0.00 55.95 57.39 2a5m s SER 128 Cb 0.08 0.51 0.11 0.00 0.21 0.00 0.00 66.02 66.93 2a5m s SER 128 CO 0.45 -0.69 0.95 0.00 0.41 0.00 0.00 173.24 174.36 2a5m s LYS 130 N -0.08 1.74 -0.10 0.00 -2.85 -1.21 -1.39 119.74 115.85 2a5m s LYS 130 Ca 0.01 -2.10 -0.02 0.00 -1.00 0.00 0.00 55.97 52.85 2a5m s LYS 130 Cb -0.04 -3.31 -0.03 0.00 -2.06 0.00 0.00 37.83 32.38 2a5m s LYS 130 CO -0.02 -1.01 -0.01 0.54 0.10 0.00 0.00 175.35 174.94 2a5m s VAL 131 N 0.57 4.17 -0.47 1.79 0.11 -1.26 -4.25 120.40 121.06 2a5m s VAL 131 Ca 0.13 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2a5m s VAL 131 Cb -0.21 -2.77 0.13 0.00 -1.53 0.00 0.00 36.38 32.00 2a5m s VAL 131 CO -0.05 0.58 0.24 -0.69 -3.33 0.00 0.00 175.10 171.85 2a5m s VAL 132 N -0.58 1.89 0.09 2.04 1.01 -1.26 -3.84 120.40 119.74 2a5m s VAL 132 Ca 0.09 -2.85 0.00 0.00 0.00 0.00 0.00 61.98 59.23 2a5m s VAL 132 Cb -0.12 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2a5m s VAL 132 CO 0.02 -0.85 0.00 -0.62 0.00 0.00 0.00 175.10 173.65 2a5m n GLU 133 N 3.40 0.00 0.00 2.72 -0.58 -1.26 -4.84 120.64 120.07 2a5m n GLU 133 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2a5m n GLU 133 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 2a5m n GLU 133 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a5m n GLY 134 N 0.08 0.76 2.82 0.62 0.00 -1.26 -4.60 105.19 103.60 2a5m n GLY 134 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2a5m n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a5m n THR 135 N -0.99 2.72 -4.50 2.61 -2.24 -1.26 -4.71 114.28 105.91 2a5m n THR 135 Ca 0.00 -5.39 -0.22 0.00 -2.27 0.00 0.00 64.05 56.17 2a5m n THR 135 Cb 0.00 -1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 66.80 2a5m n THR 135 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2a5m s TRP 136 N -3.41 1.14 -0.04 4.78 0.52 -1.26 -0.14 118.94 120.54 2a5m s TRP 136 Ca 0.48 -0.30 0.07 0.00 0.02 0.00 0.00 56.10 56.36 2a5m s TRP 136 Cb 0.30 -0.80 -0.02 0.00 -1.15 0.00 0.00 33.47 31.80 2a5m s TRP 136 CO -0.14 -0.12 -0.25 0.42 0.02 0.00 0.00 176.95 176.87 2a5m s ILE 137 N 0.19 2.09 -0.05 2.03 1.01 -0.48 -1.17 121.20 124.82 2a5m s ILE 137 Ca -0.04 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.55 2a5m s ILE 137 Cb -0.10 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2a5m s ILE 137 CO 0.01 0.58 -0.07 -0.36 0.00 0.00 0.00 174.94 175.09 2a5m s PHE 138 N -0.40 2.91 0.01 3.97 0.40 -0.16 -1.34 117.98 123.38 2a5m s PHE 138 Ca 0.03 -0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 2a5m s PHE 138 Cb -0.12 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2a5m s PHE 138 CO 0.01 0.34 -0.23 0.71 0.70 0.00 0.00 175.22 176.75 2a5m s TYR 139 N -0.86 2.04 0.21 0.36 1.51 0.11 -0.50 117.35 120.22 2a5m s TYR 139 Ca 0.14 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2a5m s TYR 139 Cb -0.11 -1.27 0.13 0.00 -0.11 0.00 0.00 41.96 40.60 2a5m s TYR 139 CO 0.03 0.04 1.47 1.49 -1.11 0.00 0.00 175.55 177.47 2a5m h GLU 140 N 5.20 0.09 -6.45 -0.62 4.81 -1.28 -1.48 114.58 114.85 2a5m h GLU 140 Ca -0.42 -0.09 -0.63 0.00 -0.13 0.00 0.00 59.36 58.09 2a5m h GLU 140 Cb 1.14 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 2a5m h GLU 140 CO 0.46 0.81 -0.74 -0.51 -0.73 0.00 0.00 179.01 178.29 2a5m s LEU 141 N -7.44 2.86 1.08 1.64 1.43 0.02 -3.40 118.68 114.88 2a5m s LEU 141 Ca -0.02 -0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 2a5m s LEU 141 Cb 0.11 -1.54 0.14 0.00 0.03 0.00 0.00 46.19 44.94 2a5m s LEU 141 CO 0.80 0.10 0.46 -0.81 0.23 0.00 0.00 176.35 177.12 2a5m n PRO 142 N -0.01 -1.44 -2.67 1.29 -0.04 -1.26 -2.43 135.00 128.44 2a5m n PRO 142 Ca -0.11 -0.39 -0.20 0.00 -0.04 0.00 0.00 63.50 62.77 2a5m n PRO 142 Cb 0.56 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2a5m n PRO 142 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2a5m n ASN 143 N -2.69 -5.33 -3.43 3.54 0.23 -0.88 -2.79 115.26 103.91 2a5m n ASN 143 Ca 0.04 -0.08 -0.17 0.00 -0.53 0.00 0.00 54.58 53.84 2a5m n ASN 143 Cb 0.57 -4.41 0.08 0.00 -2.08 0.00 0.00 39.78 33.95 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2a5m n TYR 144 N -4.00 -2.21 -4.42 -2.53 4.01 -1.22 -5.02 117.16 101.76 2a5m n TYR 144 Ca -0.17 0.91 -0.21 0.00 -0.16 0.00 0.00 57.90 58.28 2a5m n TYR 144 Cb 0.64 -4.84 -0.10 0.00 -0.31 0.00 0.00 39.34 34.72 2a5m n TYR 144 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2a5m s ARG 145 N -5.25 1.55 0.90 -0.72 1.81 -1.02 -5.02 118.95 111.20 2a5m s ARG 145 Ca 0.09 -1.81 0.00 0.00 -1.72 0.00 0.00 55.73 52.29 2a5m s ARG 145 Cb -0.01 -1.01 0.00 0.00 -0.45 0.00 0.00 34.95 33.48 2a5m s ARG 145 CO 0.74 -0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.73 2a5m n GLY 146 N -0.59 -1.82 3.77 -3.53 0.00 -1.26 -0.80 105.19 100.96 2a5m n GLY 146 Ca -0.05 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 2a5m n GLY 146 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 147 N 0.00 4.23 0.10 1.61 3.52 -1.26 -4.71 118.95 122.43 2a5m s ARG 147 Ca 0.00 2.01 0.08 0.00 -0.13 0.00 0.00 55.73 57.69 2a5m s ARG 147 Cb 0.00 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 2a5m s ARG 147 CO 0.00 -0.22 -0.15 -0.65 -0.81 0.00 0.00 175.30 173.47 2a5m s GLN 148 N -1.99 1.97 -0.06 5.12 -0.21 -1.26 -1.42 119.66 121.81 2a5m s GLN 148 Ca 0.52 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 54.87 2a5m s GLN 148 Cb -0.35 -2.21 -0.00 0.00 1.00 0.00 0.00 33.01 31.45 2a5m s GLN 148 CO 0.45 0.50 -0.20 0.71 -2.12 0.00 0.00 175.29 174.64 2a5m s TYR 149 N -1.14 2.04 -0.24 0.91 2.02 0.35 -4.61 117.35 116.68 2a5m s TYR 149 Ca 0.19 -0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 56.07 2a5m s TYR 149 Cb -0.11 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 2a5m s TYR 149 CO 0.11 -0.24 0.40 -1.17 -1.57 0.00 0.00 175.55 173.08 2a5m s LEU 150 N 0.10 4.09 0.17 -1.29 2.96 -1.26 -0.99 118.68 122.46 2a5m s LEU 150 Ca -0.08 0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 2a5m s LEU 150 Cb -0.14 -2.49 -0.06 0.00 0.50 0.00 0.00 46.19 44.00 2a5m s LEU 150 CO 0.04 -0.15 0.46 -0.76 -1.32 0.00 0.00 176.35 174.61 2a5m s LEU 151 N 1.77 4.24 0.00 -0.68 1.02 -0.32 -5.00 118.68 119.72 2a5m s LEU 151 Ca 0.17 0.77 0.03 0.00 0.02 0.00 0.00 54.13 55.13 2a5m s LEU 151 Cb -0.15 -3.40 0.03 0.00 0.02 0.00 0.00 46.19 42.69 2a5m s LEU 151 CO 0.09 0.02 0.28 0.47 0.02 0.00 0.00 176.35 177.23 2a5m n ASP 152 N 0.16 1.96 -0.87 2.29 9.92 -1.26 -4.07 116.55 124.68 2a5m n ASP 152 Ca -0.02 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.12 2a5m n ASP 152 Cb 0.52 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 2a5m n ASP 152 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2a5m n LYS 153 N -1.35 0.72 -4.09 -1.24 2.85 -1.26 -4.11 118.16 109.68 2a5m n LYS 153 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 2a5m n LYS 153 Cb 0.38 -1.20 -0.04 0.00 -0.65 0.00 0.00 35.03 33.51 2a5m n LYS 153 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2a5m s LYS 154 N -0.06 2.26 -0.10 -1.58 1.02 -1.25 -4.63 119.74 115.40 2a5m s LYS 154 Ca 0.00 -1.98 -0.03 0.00 0.02 0.00 0.00 55.97 53.98 2a5m s LYS 154 Cb 0.00 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2a5m s LYS 154 CO 0.00 -0.36 0.01 -1.21 -0.92 0.00 0.00 175.35 172.87 2a5m s GLU 155 N -4.06 3.16 -0.34 1.68 8.01 -1.26 -4.03 118.70 121.86 2a5m s GLU 155 Ca 0.33 -0.40 -0.12 0.00 0.01 0.00 0.00 54.97 54.79 2a5m s GLU 155 Cb 0.01 -2.86 -0.01 0.00 -4.31 0.00 0.00 34.13 26.96 2a5m s GLU 155 CO 0.19 0.62 0.22 0.71 0.01 0.00 0.00 175.26 177.01 2a5m s TYR 156 N -0.65 3.22 -0.03 1.61 1.51 -0.49 -4.95 117.35 117.57 2a5m s TYR 156 Ca 0.11 -0.44 0.12 0.00 -1.01 0.00 0.00 57.07 55.85 2a5m s TYR 156 Cb -0.12 -2.45 -0.17 0.00 -0.11 0.00 0.00 41.96 39.11 2a5m s TYR 156 CO 0.02 -0.45 0.94 0.00 -1.11 0.00 0.00 175.55 174.95 2a5m h ARG 157 N 8.46 0.00 -6.24 -0.62 3.08 -1.87 -2.39 114.38 114.80 2a5m h ARG 157 Ca -0.30 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.17 2a5m h ARG 157 Cb 1.14 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.00 2a5m h ARG 157 CO 0.64 0.58 -0.81 0.15 -1.07 0.00 0.00 179.97 179.46 2a5m s LYS 158 N -2.74 1.33 0.20 0.04 1.02 -1.26 -1.47 119.74 116.86 2a5m s LYS 158 Ca -0.02 -1.40 -0.10 0.00 0.02 0.00 0.00 55.97 54.47 2a5m s LYS 158 Cb 0.09 -1.53 0.13 0.00 -0.52 0.00 0.00 37.83 36.00 2a5m s LYS 158 CO 0.81 0.33 1.81 -1.00 -0.92 0.00 0.00 175.35 176.38 2a5m h PRO 159 N 3.42 1.02 0.00 -1.68 0.13 -1.86 -0.90 132.00 132.12 2a5m h PRO 159 Ca -0.45 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2a5m h PRO 159 Cb 1.20 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2a5m h PRO 159 CO 0.47 0.77 0.00 0.28 -0.23 0.00 0.00 178.00 179.29 2a5m h VAL 160 N 1.00 0.00 0.00 1.56 2.07 -1.91 -1.84 116.25 117.12 2a5m h VAL 160 Ca 0.25 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2a5m h VAL 160 Cb 0.06 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2a5m h VAL 160 CO -0.04 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.77 2a5m h ASP 161 N 0.00 0.00 -0.61 0.57 3.58 -1.46 -1.98 116.42 116.52 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2a5m h ASP 161 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 173.69 2a5m n TRP 162 N -2.82 1.40 -0.68 0.28 2.14 -0.69 -4.92 117.44 112.15 2a5m n TRP 162 Ca -0.00 -0.62 0.00 0.00 2.07 0.00 0.00 57.50 58.94 2a5m n TRP 162 Cb 0.19 -0.24 0.00 0.00 -0.81 0.00 0.00 31.31 30.45 2a5m n TRP 162 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2a5m n GLY 163 N 0.99 0.65 3.85 -1.67 0.00 -0.74 -4.69 105.19 103.57 2a5m n GLY 163 Ca 0.25 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2a5m n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5m s ALA 164 N -2.00 3.79 -1.38 4.61 0.00 -1.25 -4.97 121.76 120.54 2a5m s ALA 164 Ca 0.00 -0.68 0.28 0.00 0.00 0.00 0.00 51.96 51.56 2a5m s ALA 164 Cb 0.00 -1.88 1.14 0.00 0.00 0.00 0.00 23.12 22.38 2a5m s ALA 164 CO 0.00 0.63 1.82 0.00 0.00 0.00 0.00 175.76 178.21 2a5m n ALA 165 N 1.92 2.76 -2.99 0.00 0.00 -1.26 -3.87 120.51 117.07 2a5m n ALA 165 Ca -0.19 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 2a5m n ALA 165 Cb 0.55 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 2a5m n ALA 165 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2a5m s SER 166 N -2.68 0.20 0.00 0.00 1.04 -1.26 -4.99 113.70 106.01 2a5m s SER 166 Ca 0.23 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2a5m s SER 166 Cb 0.19 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2a5m s SER 166 CO 0.52 -0.32 0.48 -0.81 0.98 0.00 0.00 173.24 174.09 2a5m n PRO 167 N 1.54 0.72 -2.76 4.02 -0.04 -1.26 -4.79 135.00 132.42 2a5m n PRO 167 Ca -0.24 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 2a5m n PRO 167 Cb 0.55 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 2a5m n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a5m s ALA 168 N -1.34 3.66 -0.16 0.55 0.00 -1.26 -2.06 121.76 121.16 2a5m s ALA 168 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 2a5m s ALA 168 Cb 0.00 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.76 2a5m s ALA 168 CO 0.00 -0.98 0.34 0.42 0.00 0.00 0.00 175.76 175.54 2a5m s ILE 169 N 3.00 -0.32 -0.29 0.00 1.01 -1.26 -4.72 121.20 118.63 2a5m s ILE 169 Ca 0.40 0.18 0.08 0.00 0.00 0.00 0.00 60.65 61.31 2a5m s ILE 169 Cb -0.15 -0.54 -0.10 0.00 0.01 0.00 0.00 42.46 41.67 2a5m s ILE 169 CO 0.07 0.07 0.31 0.00 0.00 0.00 0.00 174.94 175.39 2a5m n GLN 170 N 4.89 3.13 -3.53 2.79 1.13 -0.59 -4.51 117.38 120.70 2a5m n GLN 170 Ca -0.15 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 54.78 2a5m n GLN 170 Cb 0.52 -0.98 -0.03 0.00 0.11 0.00 0.00 30.24 29.86 2a5m n GLN 170 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2a5m s SER 171 N -2.13 -0.43 0.02 1.08 0.01 -1.01 -0.88 113.70 110.36 2a5m s SER 171 Ca 0.01 -0.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.95 2a5m s SER 171 Cb 0.06 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.88 2a5m s SER 171 CO 0.35 -0.96 0.37 0.72 0.41 0.00 0.00 173.24 174.13 2a5m s PHE 172 N -3.78 -0.22 0.01 2.43 -0.12 -0.95 0.09 117.98 115.44 2a5m s PHE 172 Ca 0.03 0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 57.07 2a5m s PHE 172 Cb -0.00 0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.54 2a5m s PHE 172 CO -0.11 -0.50 0.10 1.03 -0.05 0.00 0.00 175.22 175.68 2a5m s ARG 173 N -2.09 0.44 0.16 1.99 0.52 -0.45 -1.69 118.95 117.84 2a5m s ARG 173 Ca -0.08 -0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 54.49 2a5m s ARG 173 Cb -0.02 0.18 -0.08 0.00 0.52 0.00 0.00 34.95 35.55 2a5m s ARG 173 CO -0.00 -0.10 0.65 -0.98 0.02 0.00 0.00 175.30 174.89 2a5m s ARG 174 N -1.41 4.21 -0.17 3.54 1.70 -1.26 -1.39 118.95 124.17 2a5m s ARG 174 Ca -0.15 0.78 -0.14 0.00 -0.47 0.00 0.00 55.73 55.75 2a5m s ARG 174 Cb -0.08 -3.01 -0.04 0.00 -0.57 0.00 0.00 34.95 31.24 2a5m s ARG 174 CO 0.01 0.49 0.32 0.42 -1.08 0.00 0.00 175.30 175.46 2a5m s ILE 175 N -1.37 5.28 0.03 4.99 1.01 0.80 -4.95 121.20 126.98 2a5m s ILE 175 Ca 0.38 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.62 2a5m s ILE 175 Cb -0.18 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2a5m s ILE 175 CO 0.21 0.35 -0.05 -0.69 0.00 0.00 0.00 174.94 174.75 2a5m s VAL 176 N 0.73 0.35 0.00 2.92 1.01 -1.26 -4.85 120.40 119.30 2a5m s VAL 176 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2a5m s VAL 176 Cb -0.14 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2a5m s VAL 176 CO 0.05 -0.32 0.00 1.21 0.00 0.00 0.00 175.10 176.04