#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 3.19 0.00 1.43 1.02 -1.26 -4.92 119.74 119.20 2a5m s LYS 2 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2a5m s LYS 2 Cb 0.00 -4.87 0.00 0.00 -0.52 0.00 0.00 37.83 32.44 2a5m s LYS 2 CO 0.00 -2.46 0.00 0.25 -0.92 0.00 0.00 175.35 172.22 2a5m n THR 3 N 6.96 0.00 0.00 2.17 -2.24 -1.26 -5.13 114.28 114.78 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 -1.55 3.81 3.38 0.00 -1.26 -5.15 105.19 109.41 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 2.47 -0.13 -0.02 0.00 -1.26 -4.72 107.32 103.66 2a5m s GLY 5 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 44.72 45.10 2a5m s GLY 5 CO 0.00 0.79 0.33 1.25 0.00 0.00 0.00 173.10 175.47 2a5m s LYS 6 N -3.07 0.36 -0.01 2.90 2.20 -0.83 -4.50 119.74 116.78 2a5m s LYS 6 Ca 0.62 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.80 2a5m s LYS 6 Cb -0.12 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 2a5m s LYS 6 CO 0.16 -0.09 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.44 2a5m s ILE 7 N 0.60 0.98 -0.09 5.43 2.07 -0.74 -1.24 121.20 128.21 2a5m s ILE 7 Ca -0.03 -0.52 0.04 0.00 -1.41 0.00 0.00 60.65 58.73 2a5m s ILE 7 Cb -0.05 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.71 2a5m s ILE 7 CO -0.04 0.28 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.62 2a5m s SER 8 N -0.18 2.86 -0.07 4.50 0.01 0.66 -1.39 113.70 120.09 2a5m s SER 8 Ca 0.03 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2a5m s SER 8 Cb -0.06 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 2a5m s SER 8 CO -0.00 0.14 -0.06 -0.36 0.41 0.00 0.00 173.24 173.37 2a5m s PHE 9 N 0.36 2.97 -0.03 2.43 0.40 -0.14 -0.18 117.98 123.79 2a5m s PHE 9 Ca -0.17 0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.26 2a5m s PHE 9 Cb -0.17 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2a5m s PHE 9 CO 0.08 0.34 -0.23 0.71 0.70 0.00 0.00 175.22 176.83 2a5m s TYR 10 N -0.79 2.08 0.26 0.36 1.51 -0.57 -1.28 117.35 118.92 2a5m s TYR 10 Ca 0.12 -0.47 0.17 0.00 -1.01 0.00 0.00 57.07 55.88 2a5m s TYR 10 Cb -0.11 -1.35 0.73 0.00 -0.11 0.00 0.00 41.96 41.12 2a5m s TYR 10 CO 0.02 -0.09 1.78 0.93 -1.11 0.00 0.00 175.55 177.07 2a5m h GLU 11 N 5.76 0.00 -5.91 -0.62 5.08 -1.47 -1.62 114.58 115.80 2a5m h GLU 11 Ca -0.38 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.41 2a5m h GLU 11 Cb 1.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 2a5m h GLU 11 CO 0.47 0.38 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.84 2a5m s ASP 12 N -6.59 4.40 0.64 1.42 1.11 -0.59 -4.04 116.67 113.02 2a5m s ASP 12 Ca -0.01 -1.06 -0.13 0.00 0.18 0.00 0.00 52.55 51.52 2a5m s ASP 12 Cb 0.12 -0.50 -0.01 0.00 1.07 0.00 0.00 42.92 43.60 2a5m s ASP 12 CO 0.70 -0.50 1.06 -0.13 1.18 0.00 0.00 175.17 177.47 2a5m s ARG 13 N -3.88 3.12 -1.07 8.23 0.52 -1.26 -3.63 118.95 120.98 2a5m s ARG 13 Ca 0.40 1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 56.68 2a5m s ARG 13 Cb 0.03 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.50 2a5m s ARG 13 CO 0.22 -0.97 0.34 0.09 0.02 0.00 0.00 175.30 175.00 2a5m n ASN 14 N -2.56 -4.56 -3.76 0.23 3.02 -0.92 -3.17 115.26 103.53 2a5m n ASN 14 Ca 0.08 -0.16 -0.26 0.00 -0.03 0.00 0.00 54.58 54.21 2a5m n ASN 14 Cb 0.53 -3.48 0.05 0.00 -0.61 0.00 0.00 39.78 36.27 2a5m n ASN 14 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2a5m n PHE 15 N -4.08 -2.37 -4.17 3.10 3.72 -1.25 -4.99 117.46 107.41 2a5m n PHE 15 Ca -0.09 0.93 -0.24 0.00 -0.05 0.00 0.00 57.45 57.99 2a5m n PHE 15 Cb 0.59 -4.40 -0.07 0.00 -0.94 0.00 0.00 39.48 34.66 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2a5m s GLN 16 N -6.34 2.24 0.72 -1.08 -0.21 -1.19 -5.02 119.66 108.78 2a5m s GLN 16 Ca 0.48 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 54.16 2a5m s GLN 16 Cb -0.23 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2a5m s GLN 16 CO 0.80 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 174.42 2a5m n GLY 17 N -1.12 -1.87 3.77 3.09 0.00 -1.26 -1.54 105.19 106.25 2a5m n GLY 17 Ca -0.03 -1.67 -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 4.17 0.11 1.61 3.52 -1.26 -4.75 118.95 122.36 2a5m s ARG 18 Ca 0.00 1.90 0.11 0.00 -0.13 0.00 0.00 55.73 57.60 2a5m s ARG 18 Cb 0.00 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2a5m s ARG 18 CO 0.00 -0.23 -0.27 0.50 -0.81 0.00 0.00 175.30 174.49 2a5m s ARG 19 N -2.11 1.46 -0.07 5.12 3.52 -1.26 -1.85 118.95 123.75 2a5m s ARG 19 Ca 0.54 -1.30 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 2a5m s ARG 19 Cb -0.32 -1.89 0.02 0.00 -1.56 0.00 0.00 34.95 31.20 2a5m s ARG 19 CO 0.41 0.46 -0.08 -0.47 -0.81 0.00 0.00 175.30 174.81 2a5m s TYR 20 N -1.02 1.18 -0.08 5.12 5.04 -0.40 -4.97 117.35 122.22 2a5m s TYR 20 Ca 0.13 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.32 2a5m s TYR 20 Cb -0.10 -0.97 -0.03 0.00 0.35 0.00 0.00 41.96 41.22 2a5m s TYR 20 CO 0.05 -0.32 -0.11 0.16 -1.34 0.00 0.00 175.55 174.00 2a5m s ASP 21 N 1.14 4.30 -0.02 4.32 1.47 -1.26 -0.97 116.67 125.65 2a5m s ASP 21 Ca -0.07 -0.16 0.03 0.00 1.18 0.00 0.00 52.55 53.54 2a5m s ASP 21 Cb -0.14 -1.19 -0.00 0.00 -0.34 0.00 0.00 42.92 41.25 2a5m s ASP 21 CO -0.01 0.30 -0.11 0.00 0.68 0.00 0.00 175.17 176.03 2a5m n ASP 23 N 3.02 2.30 -3.42 0.00 9.92 -1.26 -1.79 116.55 125.32 2a5m n ASP 23 Ca -0.16 -2.04 -0.09 0.00 -0.53 0.00 0.00 54.79 51.98 2a5m n ASP 23 Cb 0.55 -0.08 -0.01 0.00 -0.64 0.00 0.00 41.12 40.94 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a5m s ASP 25 N -3.02 5.88 -0.13 0.00 1.11 -1.26 -4.74 116.67 114.51 2a5m s ASP 25 Ca 0.16 2.87 -0.01 0.00 0.18 0.00 0.00 52.55 55.74 2a5m s ASP 25 Cb -0.05 -2.65 0.04 0.00 1.07 0.00 0.00 42.92 41.33 2a5m s ASP 25 CO 0.10 -1.17 -0.04 0.00 1.18 0.00 0.00 175.17 175.25 2a5m h ALA 27 N 8.20 0.74 -1.50 0.00 0.00 -1.89 -0.93 119.26 123.89 2a5m h ALA 27 Ca -0.24 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 2a5m h ALA 27 Cb 1.12 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.57 2a5m h ALA 27 CO 0.36 0.63 -0.48 0.34 0.00 0.00 0.00 179.25 180.09 2a5m s ASP 28 N -6.46 -0.23 0.00 0.00 2.15 -1.26 -3.97 116.67 106.90 2a5m s ASP 28 Ca 0.03 -0.16 0.17 0.00 0.43 0.00 0.00 52.55 53.01 2a5m s ASP 28 Cb 0.09 1.39 0.48 0.00 -0.30 0.00 0.00 42.92 44.58 2a5m s ASP 28 CO 0.73 -0.33 1.40 2.22 -0.17 0.00 0.00 175.17 179.01 2a5m n PHE 29 N 5.37 0.72 0.26 -5.34 -1.74 -1.25 -4.52 117.46 110.96 2a5m n PHE 29 Ca 0.02 -0.49 0.17 0.00 -0.56 0.00 0.00 57.45 56.59 2a5m n PHE 29 Cb 0.51 -0.01 0.92 0.00 1.52 0.00 0.00 39.48 42.42 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 3.19 0.00 0.00 3.97 2.47 -1.84 0.71 114.38 122.89 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 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2a5m h ARG 30 CO 0.00 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.19 2a5m h SER 31 N 0.00 0.00 0.00 7.04 4.64 -2.00 -3.13 113.55 120.09 2a5m h SER 31 Ca 0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2a5m h SER 31 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2a5m h SER 31 CO -0.00 0.00 -1.79 -1.22 -0.87 0.00 0.00 176.83 172.95 2a5m n TYR 32 N -2.60 0.00 -3.69 4.77 4.01 0.16 -4.96 117.16 114.84 2a5m n TYR 32 Ca 0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 2a5m n TYR 32 Cb 0.34 -0.45 -0.12 0.00 -0.31 0.00 0.00 39.34 38.81 2a5m n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2a5m s LEU 33 N -4.33 -0.04 0.02 7.72 2.96 -0.69 -4.82 118.68 119.50 2a5m s LEU 33 Ca -0.06 0.69 0.26 0.00 -0.22 0.00 0.00 54.13 54.80 2a5m s LEU 33 Cb 0.09 0.95 0.73 0.00 0.50 0.00 0.00 46.19 48.46 2a5m s LEU 33 CO 0.65 -0.20 1.58 -1.20 -1.32 0.00 0.00 176.35 175.86 2a5m n SER 34 N 4.69 0.38 -3.55 3.68 7.64 -1.26 -4.18 113.62 121.02 2a5m n SER 34 Ca -0.17 0.06 -0.06 0.00 1.01 0.00 0.00 58.87 59.70 2a5m n SER 34 Cb 0.52 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 2a5m n SER 34 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2a5m s ARG 35 N -3.02 0.62 -0.15 1.43 3.52 -1.26 -5.00 118.95 115.09 2a5m s ARG 35 Ca 0.11 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.44 2a5m s ARG 35 Cb 0.17 0.28 0.06 0.00 -1.56 0.00 0.00 34.95 33.91 2a5m s ARG 35 CO 0.64 -0.27 0.13 0.00 -0.81 0.00 0.00 175.30 175.00 2a5m n ASN 37 N 5.30 2.38 -3.61 0.00 2.04 -0.62 -4.49 115.26 116.27 2a5m n ASN 37 Ca -0.06 -1.68 -0.15 0.00 -0.44 0.00 0.00 54.58 52.26 2a5m n ASN 37 Cb 0.49 -0.08 -0.06 0.00 -2.53 0.00 0.00 39.78 37.60 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 2a5m s SER 38 N -1.06 -0.43 -0.02 0.53 0.01 -1.20 0.14 113.70 111.67 2a5m s SER 38 Ca 0.19 0.27 -0.10 0.00 1.31 0.00 0.00 55.95 57.62 2a5m s SER 38 Cb 0.12 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.82 2a5m s SER 38 CO 0.17 -0.63 0.21 -0.63 0.41 0.00 0.00 173.24 172.77 2a5m s ILE 39 N -1.91 0.06 -0.11 1.44 1.01 -0.73 -1.52 121.20 119.45 2a5m s ILE 39 Ca -0.08 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.10 2a5m s ILE 39 Cb -0.01 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.00 2a5m s ILE 39 CO 0.02 -0.27 -0.16 -0.60 0.00 0.00 0.00 174.94 173.94 2a5m s ARG 40 N -1.06 2.30 -0.31 2.79 3.52 0.75 -0.90 118.95 126.03 2a5m s ARG 40 Ca -0.11 -0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 54.81 2a5m s ARG 40 Cb -0.06 -1.94 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 2a5m s ARG 40 CO 0.02 -0.05 0.12 0.08 -0.81 0.00 0.00 175.30 174.66 2a5m s VAL 41 N 0.96 4.21 0.04 7.11 1.01 0.14 -0.24 120.40 133.62 2a5m s VAL 41 Ca -0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2a5m s VAL 41 Cb -0.15 -3.20 -0.26 0.00 0.00 0.00 0.00 36.38 32.77 2a5m s VAL 41 CO -0.01 0.02 1.00 -0.08 0.00 0.00 0.00 175.10 176.03 2a5m h GLU 42 N 8.29 0.19 -1.96 2.72 4.81 -1.40 -1.62 114.58 125.62 2a5m h GLU 42 Ca -0.30 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2a5m h GLU 42 Cb 1.13 0.12 -0.19 0.00 0.63 0.00 0.00 28.75 30.44 2a5m h GLU 42 CO 0.61 1.08 0.33 0.20 -0.73 0.00 0.00 179.01 180.50 2a5m s GLY 43 N -4.84 -0.47 0.00 1.92 0.00 -1.23 -4.83 107.32 97.87 2a5m s GLY 43 Ca -0.05 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.13 2a5m s GLY 43 CO 0.85 0.88 0.00 0.61 0.00 0.00 0.00 173.10 175.44 2a5m n GLY 44 N 0.67 -1.32 3.73 0.20 0.00 -1.26 -1.97 105.19 105.24 2a5m n GLY 44 Ca -0.15 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.55 3.70 -0.03 2.61 2.01 -1.26 -2.78 115.64 118.34 2a5m s THR 45 Ca 0.00 -1.68 -0.12 0.00 0.31 0.00 0.00 61.69 60.20 2a5m s THR 45 Cb 0.00 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.46 2a5m s THR 45 CO 0.00 -0.32 0.26 0.26 -0.69 0.00 0.00 174.62 174.13 2a5m s TRP 46 N -2.28 -0.16 -0.13 4.92 0.52 -0.24 -1.95 118.94 119.62 2a5m s TRP 46 Ca 0.34 0.28 -0.02 0.00 0.02 0.00 0.00 56.10 56.72 2a5m s TRP 46 Cb -0.06 0.06 -0.03 0.00 -1.15 0.00 0.00 33.47 32.30 2a5m s TRP 46 CO 0.22 -0.31 -0.06 0.00 0.02 0.00 0.00 176.95 176.82 2a5m s ALA 47 N -1.01 2.92 0.00 0.98 0.00 -0.30 0.46 121.76 124.82 2a5m s ALA 47 Ca -0.11 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.08 2a5m s ALA 47 Cb -0.05 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2a5m s ALA 47 CO 0.03 0.30 -0.22 0.14 0.00 0.00 0.00 175.76 176.01 2a5m s VAL 48 N 0.11 2.47 0.05 0.00 -7.23 -0.46 -1.11 120.40 114.22 2a5m s VAL 48 Ca -0.02 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.12 2a5m s VAL 48 Cb -0.14 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 2a5m s VAL 48 CO 0.03 0.47 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.74 2a5m s TYR 49 N -0.76 2.15 0.33 2.82 1.51 0.31 -1.76 117.35 121.94 2a5m s TYR 49 Ca 0.12 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2a5m s TYR 49 Cb -0.10 -1.28 0.57 0.00 -0.11 0.00 0.00 41.96 41.04 2a5m s TYR 49 CO 0.02 0.12 1.88 1.49 -1.11 0.00 0.00 175.55 177.94 2a5m h GLU 50 N 4.80 0.59 -5.35 -0.62 4.81 -1.48 0.62 114.58 117.96 2a5m h GLU 50 Ca -0.45 -0.12 -0.43 0.00 -0.13 0.00 0.00 59.36 58.23 2a5m h GLU 50 Cb 1.15 -0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.30 2a5m h GLU 50 CO 0.44 0.58 -0.68 -0.98 -0.73 0.00 0.00 179.01 177.63 2a5m s ARG 51 N -5.06 1.39 1.12 1.92 1.70 -1.09 -2.05 118.95 116.89 2a5m s ARG 51 Ca -0.08 -1.68 -0.15 0.00 -0.47 0.00 0.00 55.73 53.35 2a5m s ARG 51 Cb 0.16 -0.94 0.19 0.00 -0.57 0.00 0.00 34.95 33.79 2a5m s ARG 51 CO 0.77 0.03 0.56 -0.35 -1.08 0.00 0.00 175.30 175.23 2a5m n PRO 52 N -0.46 -1.85 -3.08 3.89 -0.04 -1.26 -3.42 135.00 128.78 2a5m n PRO 52 Ca -0.06 -0.51 -0.19 0.00 -0.04 0.00 0.00 63.50 62.69 2a5m n PRO 52 Cb 0.63 -1.96 0.04 0.00 -0.04 0.00 0.00 33.50 32.17 2a5m n PRO 52 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2a5m n ASN 53 N -3.30 -5.53 -4.07 3.54 2.85 -1.25 -3.26 115.26 104.24 2a5m n ASN 53 Ca 0.03 -0.32 -0.30 0.00 -0.11 0.00 0.00 54.58 53.88 2a5m n ASN 53 Cb 0.57 -4.29 -0.04 0.00 1.24 0.00 0.00 39.78 37.27 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2a5m n PHE 54 N -4.43 -1.51 -4.40 1.20 3.72 -1.25 -4.96 117.46 105.83 2a5m n PHE 54 Ca -0.06 0.60 -0.20 0.00 -0.05 0.00 0.00 57.45 57.74 2a5m n PHE 54 Cb 0.58 -3.29 -0.10 0.00 -0.94 0.00 0.00 39.48 35.73 2a5m n PHE 54 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a5m s SER 55 N -4.21 2.60 0.00 4.37 0.01 -1.20 -5.07 113.70 110.21 2a5m s SER 55 Ca 0.10 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2a5m s SER 55 Cb -0.05 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2a5m s SER 55 CO 0.93 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.86 2a5m n GLY 56 N -0.52 -1.69 3.76 3.44 0.00 -1.26 -2.66 105.19 106.25 2a5m n GLY 56 Ca -0.06 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2a5m n GLY 56 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a5m s HIS 57 N 0.00 3.25 -0.05 1.61 5.65 -1.26 -4.75 115.29 119.74 2a5m s HIS 57 Ca 0.00 1.42 0.06 0.00 0.25 0.00 0.00 55.06 56.79 2a5m s HIS 57 Cb 0.00 -3.55 -0.01 0.00 -1.18 0.00 0.00 32.58 27.83 2a5m s HIS 57 CO 0.00 -1.54 -0.24 0.00 -0.65 0.00 0.00 174.74 172.32 2a5m s MET 58 N -1.11 2.50 -0.01 2.88 0.00 -1.26 -2.02 119.30 120.27 2a5m s MET 58 Ca 0.51 -0.88 0.05 0.00 0.00 0.00 0.00 55.69 55.36 2a5m s MET 58 Cb -0.37 -2.18 -0.01 0.00 0.00 0.00 0.00 34.83 32.27 2a5m s MET 58 CO 0.45 0.43 -0.15 0.71 0.00 0.00 0.00 175.02 176.46 2a5m s TYR 59 N -0.29 1.37 -0.15 3.16 1.51 -0.72 -3.87 117.35 118.36 2a5m s TYR 59 Ca 0.00 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 55.66 2a5m s TYR 59 Cb -0.13 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.79 2a5m s TYR 59 CO 0.03 -0.04 0.26 0.42 -1.11 0.00 0.00 175.55 175.11 2a5m s ILE 60 N -0.31 5.32 -0.23 2.71 -1.09 -1.26 -1.36 121.20 124.98 2a5m s ILE 60 Ca 0.05 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 58.97 2a5m s ILE 60 Cb -0.06 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 2a5m s ILE 60 CO -0.00 0.43 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.25 2a5m s LEU 61 N 0.18 2.97 0.84 2.97 1.43 0.17 -4.96 118.68 122.28 2a5m s LEU 61 Ca 0.15 -1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 2a5m s LEU 61 Cb -0.13 -1.48 0.10 0.00 0.03 0.00 0.00 46.19 44.71 2a5m s LEU 61 CO 0.04 -0.14 1.14 -2.16 0.23 0.00 0.00 176.35 175.46 2a5m s PRO 62 N 1.19 1.69 0.33 1.29 0.04 -1.26 -1.07 135.00 137.21 2a5m s PRO 62 Ca -0.05 0.28 -0.28 0.00 0.04 0.00 0.00 61.00 61.00 2a5m s PRO 62 Cb -0.18 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 2a5m s PRO 62 CO -0.07 -1.82 1.15 0.00 0.04 0.00 0.00 177.00 176.30 2a5m n GLN 63 N -3.51 1.74 -3.17 4.56 0.00 -1.12 -4.84 117.38 111.05 2a5m n GLN 63 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 57.00 57.68 2a5m n GLN 63 Cb 0.59 -2.11 0.00 0.00 0.00 0.00 0.00 30.24 28.72 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 0.98 -1.78 3.24 2.61 0.00 -0.61 -4.98 105.19 104.65 2a5m n GLY 64 Ca 0.07 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.85 3.08 -0.39 1.61 2.12 -1.26 0.25 118.70 122.25 2a5m s GLU 65 Ca 0.00 -0.86 0.04 0.00 0.36 0.00 0.00 54.97 54.51 2a5m s GLU 65 Cb 0.00 -2.34 0.11 0.00 0.26 0.00 0.00 34.13 32.16 2a5m s GLU 65 CO 0.00 0.19 0.12 0.71 -0.54 0.00 0.00 175.26 175.74 2a5m s TYR 66 N 0.32 3.45 -1.59 5.30 1.51 -0.08 -4.97 117.35 121.29 2a5m s TYR 66 Ca -0.17 -2.98 0.12 0.00 -1.01 0.00 0.00 57.07 53.02 2a5m s TYR 66 Cb -0.18 -2.81 0.65 0.00 -0.11 0.00 0.00 41.96 39.51 2a5m s TYR 66 CO 0.08 -0.88 1.26 -0.35 -1.11 0.00 0.00 175.55 174.56 2a5m n PRO 67 N 3.92 0.23 -3.54 -1.71 -0.05 -1.26 -1.77 135.00 130.83 2a5m n PRO 67 Ca 0.04 0.12 -0.14 0.00 -0.05 0.00 0.00 63.50 63.47 2a5m n PRO 67 Cb 0.39 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.29 2a5m n PRO 67 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 2a5m s GLU 68 N -2.41 1.09 0.27 0.54 2.02 -1.26 -2.17 118.70 116.78 2a5m s GLU 68 Ca 0.14 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.89 2a5m s GLU 68 Cb 0.08 0.50 0.36 0.00 0.10 0.00 0.00 34.13 35.17 2a5m s GLU 68 CO 0.17 -0.40 1.94 0.10 0.02 0.00 0.00 175.26 177.09 2a5m h TYR 69 N 2.66 1.13 -0.01 1.61 -0.00 0.89 -1.56 116.97 121.69 2a5m h TYR 69 Ca -0.31 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2a5m h TYR 69 Cb 1.22 -0.38 -0.00 0.00 -0.00 0.00 0.00 36.73 37.57 2a5m h TYR 69 CO 0.34 0.73 0.01 1.96 -0.00 0.00 0.00 178.16 181.20 2a5m h GLN 70 N 1.21 0.00 0.00 0.10 4.20 -1.84 0.21 115.11 118.99 2a5m h GLN 70 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2a5m h GLN 70 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2a5m h GLN 70 CO -0.07 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.00 2a5m h ARG 71 N 0.00 0.00 -0.49 1.46 9.65 -1.67 -1.45 114.38 121.88 2a5m h ARG 71 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2a5m h ARG 71 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2a5m h ARG 71 CO -0.00 0.00 0.00 1.87 2.80 0.00 0.00 179.97 184.64 2a5m n TRP 72 N -2.87 0.65 -1.70 2.20 -0.00 0.68 -4.93 117.44 111.47 2a5m n TRP 72 Ca 0.01 -0.50 -0.20 0.00 -0.00 0.00 0.00 57.50 56.81 2a5m n TRP 72 Cb 0.30 -0.02 -0.08 0.00 -0.00 0.00 0.00 31.31 31.52 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 0.94 -1.45 -1.75 5.87 2.81 -0.55 -4.92 117.12 118.08 2a5m n MET 73 Ca 0.16 1.19 -0.40 0.00 -1.81 0.00 0.00 57.70 56.85 2a5m n MET 73 Cb 0.50 -5.59 0.03 0.00 -0.71 0.00 0.00 33.22 27.45 2a5m n MET 73 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a5m n GLY 74 N -0.54 0.87 0.09 3.03 0.00 -0.85 -4.89 105.19 102.90 2a5m n GLY 74 Ca -0.21 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 2a5m n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a5m h LEU 75 N 1.94 0.00 0.00 0.99 5.85 -1.91 -3.43 115.31 118.76 2a5m h LEU 75 Ca -0.51 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2a5m h LEU 75 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2a5m h LEU 75 CO 0.59 0.86 0.03 -0.46 -0.34 0.00 0.00 178.44 179.13 2a5m n ASN 76 N -3.44 -0.36 -2.01 1.25 0.23 -1.26 -5.03 115.26 104.63 2a5m n ASN 76 Ca -0.00 -1.29 -0.15 0.00 -0.53 0.00 0.00 54.58 52.60 2a5m n ASN 76 Cb 0.84 0.61 0.20 0.00 -2.08 0.00 0.00 39.78 39.36 2a5m n ASN 76 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2a5m n ASP 77 N -1.33 3.99 -4.64 0.53 8.00 -1.26 -4.92 116.55 116.91 2a5m n ASP 77 Ca -0.01 -3.30 -0.37 0.00 0.71 0.00 0.00 54.79 51.82 2a5m n ASP 77 Cb 0.10 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 40.34 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2a5m s ARG 78 N -2.84 4.06 -0.08 -1.24 3.52 -1.26 -2.23 118.95 118.88 2a5m s ARG 78 Ca 0.50 -0.16 -0.03 0.00 -0.13 0.00 0.00 55.73 55.91 2a5m s ARG 78 Cb 0.41 -3.58 0.05 0.00 -1.56 0.00 0.00 34.95 30.27 2a5m s ARG 78 CO 0.11 -0.04 0.15 -0.51 -0.81 0.00 0.00 175.30 174.20 2a5m s LEU 79 N 1.36 0.02 -0.01 -0.88 1.43 -1.26 -4.42 118.68 114.92 2a5m s LEU 79 Ca 0.10 0.32 0.15 0.00 -1.03 0.00 0.00 54.13 53.67 2a5m s LEU 79 Cb -0.14 0.27 -0.21 0.00 0.03 0.00 0.00 46.19 46.13 2a5m s LEU 79 CO 0.07 -0.23 0.42 0.61 0.23 0.00 0.00 176.35 177.44 2a5m n GLY 80 N 5.21 -0.59 3.36 -3.19 0.00 0.20 -4.87 105.19 105.30 2a5m n GLY 80 Ca -0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.32 -0.37 -0.01 1.61 0.15 -1.12 -3.96 113.70 106.66 2a5m s SER 81 Ca -0.02 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.66 2a5m s SER 81 Cb 0.10 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2a5m s SER 81 CO 0.62 -0.70 0.13 0.00 1.20 0.00 0.00 173.24 174.49 2a5m s ARG 83 N -0.96 0.57 0.07 0.00 0.52 -0.26 -0.51 118.95 118.38 2a5m s ARG 83 Ca -0.11 -0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 2a5m s ARG 83 Cb -0.06 -0.55 -0.05 0.00 0.52 0.00 0.00 34.95 34.81 2a5m s ARG 83 CO 0.01 0.15 1.08 0.00 0.02 0.00 0.00 175.30 176.56 2a5m s ALA 84 N -0.17 3.29 -0.20 2.13 0.00 -1.26 -1.15 121.76 124.40 2a5m s ALA 84 Ca 0.03 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 2a5m s ALA 84 Cb -0.03 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2a5m s ALA 84 CO -0.00 -0.27 0.52 0.08 0.00 0.00 0.00 175.76 176.09 2a5m s VAL 85 N 0.65 5.10 -0.03 0.00 1.01 -0.82 -4.89 120.40 121.42 2a5m s VAL 85 Ca 0.53 0.95 -0.17 0.00 0.00 0.00 0.00 61.98 63.29 2a5m s VAL 85 Cb -0.26 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2a5m s VAL 85 CO 0.30 0.17 0.48 -1.00 0.00 0.00 0.00 175.10 175.05 2a5m s HIS 86 N 1.67 3.67 -0.14 5.22 3.76 -1.26 -4.13 115.29 124.07 2a5m s HIS 86 Ca 0.24 1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 56.10 2a5m s HIS 86 Cb -0.15 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 2a5m s HIS 86 CO 0.10 0.45 0.15 -0.51 -0.85 0.00 0.00 174.74 174.08 2a5m s LEU 87 N -0.44 4.34 -0.18 0.89 1.43 -1.26 -4.58 118.68 118.88 2a5m s LEU 87 Ca 0.26 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2a5m s LEU 87 Cb -0.17 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 2a5m s LEU 87 CO 0.14 0.34 -0.05 -0.44 0.23 0.00 0.00 176.35 176.56 2a5m s SER 88 N -0.61 4.50 0.00 2.29 0.01 -1.26 -5.05 113.70 113.58 2a5m s SER 88 Ca 0.13 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2a5m s SER 88 Cb -0.12 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.37 2a5m s SER 88 CO 0.03 0.10 0.00 -1.20 0.41 0.00 0.00 173.24 172.58 2a5m n SER 89 N 4.00 0.18 0.00 2.44 7.64 -1.26 -4.80 113.62 121.83 2a5m n SER 89 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2a5m n SER 89 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2a5m n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a5m n GLY 90 N 5.00 3.97 0.00 0.23 0.00 -1.26 -5.03 105.19 108.10 2a5m n GLY 90 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.70 3.08 -0.02 0.00 -1.26 -5.12 105.19 100.17 2a5m n GLY 91 Ca 0.00 0.79 -0.32 0.00 0.00 0.00 0.00 46.02 46.49 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 2.70 0.01 1.61 0.74 -1.26 -5.10 119.66 118.36 2a5m s GLN 92 Ca 0.00 -0.78 -0.30 0.00 0.05 0.00 0.00 55.36 54.33 2a5m s GLN 92 Cb 0.00 -2.44 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 2a5m s GLN 92 CO 0.00 -0.25 1.09 0.00 -0.55 0.00 0.00 175.29 175.58 2a5m s ALA 93 N 1.34 3.30 -0.01 1.58 0.00 -1.26 -5.03 121.76 121.68 2a5m s ALA 93 Ca 0.04 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2a5m s ALA 93 Cb -0.13 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2a5m s ALA 93 CO -0.12 -0.38 -0.13 0.21 0.00 0.00 0.00 175.76 175.34 2a5m s LYS 94 N 1.20 1.04 0.03 0.00 2.20 -1.26 -4.58 119.74 118.37 2a5m s LYS 94 Ca 0.55 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.72 2a5m s LYS 94 Cb -0.24 -1.01 -0.02 0.00 -1.51 0.00 0.00 37.83 35.05 2a5m s LYS 94 CO 0.27 0.27 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.90 2a5m s ILE 95 N -0.34 1.11 -0.06 5.43 2.07 -0.86 -3.64 121.20 124.92 2a5m s ILE 95 Ca 0.05 -0.96 0.05 0.00 -1.41 0.00 0.00 60.65 58.38 2a5m s ILE 95 Cb -0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 2a5m s ILE 95 CO -0.00 0.04 -0.23 0.00 -1.91 0.00 0.00 174.94 172.83 2a5m s GLN 96 N -1.06 2.38 0.07 3.50 -2.07 -1.06 -1.76 119.66 119.67 2a5m s GLN 96 Ca 0.02 -0.82 0.08 0.00 -1.82 0.00 0.00 55.36 52.82 2a5m s GLN 96 Cb -0.08 -2.01 -0.03 0.00 -1.09 0.00 0.00 33.01 29.81 2a5m s GLN 96 CO 0.01 0.32 -0.21 0.14 -1.32 0.00 0.00 175.29 174.24 2a5m s VAL 97 N -0.06 1.68 0.00 3.63 -7.23 -0.36 -1.35 120.40 116.72 2a5m s VAL 97 Ca -0.05 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 2a5m s VAL 97 Cb -0.14 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 2a5m s VAL 97 CO 0.04 0.08 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.29 2a5m s PHE 98 N -0.97 2.35 0.39 2.82 0.40 -0.90 -1.64 117.98 120.43 2a5m s PHE 98 Ca 0.07 -0.41 0.15 0.00 -0.60 0.00 0.00 56.93 56.14 2a5m s PHE 98 Cb -0.09 -1.47 0.89 0.00 0.51 0.00 0.00 43.02 42.86 2a5m s PHE 98 CO 0.03 0.04 1.90 1.49 0.70 0.00 0.00 175.22 179.37 2a5m h GLU 99 N 5.21 0.00 -5.82 0.44 4.81 -1.24 -3.34 114.58 114.65 2a5m h GLU 99 Ca -0.44 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 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 99 CO 0.46 0.29 -0.55 0.15 -0.73 0.00 0.00 179.01 178.63 2a5m s LYS 100 N -4.30 2.11 0.89 1.92 1.02 0.08 -4.41 119.74 117.06 2a5m s LYS 100 Ca -0.03 -1.94 -0.12 0.00 0.02 0.00 0.00 55.97 53.91 2a5m s LYS 100 Cb 0.14 -1.85 0.13 0.00 -0.52 0.00 0.00 37.83 35.73 2a5m s LYS 100 CO 0.70 -0.07 1.09 0.20 -0.92 0.00 0.00 175.35 176.35 2a5m s GLY 101 N -3.82 1.62 -1.46 -3.33 0.00 -1.26 -3.45 107.32 95.62 2a5m s GLY 101 Ca 0.38 -0.07 -0.09 0.00 0.00 0.00 0.00 44.72 44.94 2a5m s GLY 101 CO 0.21 0.41 0.88 1.22 0.00 0.00 0.00 173.10 175.82 2a5m n ASP 102 N -3.87 -5.61 -3.70 1.64 9.92 0.95 -2.78 116.55 113.11 2a5m n ASP 102 Ca 0.07 -0.51 -0.26 0.00 -0.53 0.00 0.00 54.79 53.57 2a5m n ASP 102 Cb 0.55 -4.48 0.03 0.00 -0.64 0.00 0.00 41.12 36.58 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 -4.66 -1.91 -4.38 1.24 3.72 -1.25 -5.00 117.46 105.22 2a5m n PHE 103 Ca -0.02 0.67 -0.19 0.00 -0.05 0.00 0.00 57.45 57.85 2a5m n PHE 103 Cb 0.57 -3.86 -0.10 0.00 -0.94 0.00 0.00 39.48 35.14 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 -3.91 2.24 0.00 4.37 0.01 -1.12 -5.02 114.94 111.51 2a5m s ASN 104 Ca 0.24 -1.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.17 2a5m s ASN 104 Cb -0.07 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.52 2a5m s ASN 104 CO 0.84 -0.45 0.00 0.61 -1.51 0.00 0.00 177.10 176.59 2a5m n GLY 105 N -0.50 -1.79 3.77 0.66 0.00 -1.26 -0.74 105.19 105.33 2a5m n GLY 105 Ca -0.05 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 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 4.33 0.01 1.61 0.74 -1.26 -4.71 119.66 120.39 2a5m s GLN 106 Ca 0.00 1.58 0.07 0.00 0.05 0.00 0.00 55.36 57.06 2a5m s GLN 106 Cb 0.00 -2.75 -0.03 0.00 1.10 0.00 0.00 33.01 31.33 2a5m s GLN 106 CO 0.00 -0.01 -0.19 1.41 -0.55 0.00 0.00 175.29 175.95 2a5m s MET 107 N -2.15 2.14 -0.03 1.67 -2.45 -1.26 -1.30 119.30 115.92 2a5m s MET 107 Ca 0.53 -0.93 0.03 0.00 -1.25 0.00 0.00 55.69 54.07 2a5m s MET 107 Cb -0.25 -2.18 0.00 0.00 1.25 0.00 0.00 34.83 33.65 2a5m s MET 107 CO 0.31 0.56 -0.10 0.71 1.05 0.00 0.00 175.02 177.55 2a5m s TYR 108 N -0.82 1.05 -0.07 4.11 2.02 -0.65 -4.97 117.35 118.01 2a5m s TYR 108 Ca 0.13 -0.27 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 40.70 2a5m s TYR 108 CO 0.03 -0.11 -0.22 -2.00 -1.57 0.00 0.00 175.55 171.68 2a5m s GLU 109 N 0.18 2.72 -0.01 -0.62 -6.30 -1.26 -1.22 118.70 112.18 2a5m s GLU 109 Ca -0.03 -0.84 -0.15 0.00 -2.50 0.00 0.00 54.97 51.45 2a5m s GLU 109 Cb -0.09 -2.27 0.02 0.00 0.00 0.00 0.00 34.13 31.79 2a5m s GLU 109 CO 0.01 0.37 0.31 -0.08 0.02 0.00 0.00 175.26 175.88 2a5m s THR 110 N -0.11 0.06 -1.04 -1.70 -1.32 -0.72 -5.01 115.64 105.80 2a5m s THR 110 Ca -0.04 -0.49 0.12 0.00 -1.21 0.00 0.00 61.69 60.06 2a5m s THR 110 Cb -0.14 -0.63 0.34 0.00 -1.51 0.00 0.00 72.50 70.56 2a5m s THR 110 CO 0.04 -0.27 1.28 0.35 -2.21 0.00 0.00 174.62 173.81 2a5m n THR 111 N 1.23 0.99 -4.50 5.08 -2.24 -1.26 -2.03 114.28 111.56 2a5m n THR 111 Ca -0.21 -1.00 -0.24 0.00 -2.27 0.00 0.00 64.05 60.33 2a5m n THR 111 Cb 0.56 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.00 1.71 0.71 -0.78 0.41 -1.26 -4.88 118.70 113.61 2a5m s GLU 112 Ca 0.26 -1.86 -0.14 0.00 -0.41 0.00 0.00 54.97 52.82 2a5m s GLU 112 Cb 0.14 -1.58 0.03 0.00 -1.78 0.00 0.00 34.13 30.93 2a5m s GLU 112 CO 0.18 0.16 1.15 0.16 -0.49 0.00 0.00 175.26 176.42 2a5m s ASP 113 N -3.54 4.58 -0.24 -0.19 1.47 -1.26 -4.94 116.67 112.55 2a5m s ASP 113 Ca 0.31 2.13 0.02 0.00 1.18 0.00 0.00 52.55 56.19 2a5m s ASP 113 Cb 0.01 -2.56 0.06 0.00 -0.34 0.00 0.00 42.92 40.08 2a5m s ASP 113 CO 0.15 -1.99 -0.09 0.00 0.68 0.00 0.00 175.17 173.91 2a5m h PRO 115 N 7.85 0.19 -2.81 0.00 0.13 -1.90 -2.60 132.00 132.86 2a5m h PRO 115 Ca -0.20 -0.24 -0.43 0.00 -0.87 0.00 0.00 66.00 64.25 2a5m h PRO 115 Cb 1.06 0.08 -0.39 0.00 0.13 0.00 0.00 31.00 31.87 2a5m h PRO 115 CO 0.45 1.01 -0.72 0.45 -0.23 0.00 0.00 178.00 178.96 2a5m s SER 116 N -6.94 2.34 0.21 1.44 0.15 -1.26 -2.09 113.70 107.54 2a5m s SER 116 Ca -0.03 -0.69 -0.08 0.00 0.70 0.00 0.00 55.95 55.86 2a5m s SER 116 Cb 0.09 -0.07 0.15 0.00 -1.71 0.00 0.00 66.02 64.48 2a5m s SER 116 CO 0.84 -0.37 1.73 0.40 1.20 0.00 0.00 173.24 177.04 2a5m h ILE 117 N 6.38 1.26 -0.46 6.45 2.04 -1.49 -2.04 117.51 129.65 2a5m h ILE 117 Ca -0.16 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 2a5m h ILE 117 Cb 1.11 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2a5m h ILE 117 CO 0.33 0.37 -0.09 -0.03 0.00 0.00 0.00 178.15 178.72 2a5m h MET 118 N 1.08 0.83 -0.33 2.37 4.05 -1.81 0.22 114.93 121.33 2a5m h MET 118 Ca 0.23 -0.27 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 2a5m h MET 118 Cb 0.35 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2a5m h MET 118 CO -0.00 0.89 -0.44 1.49 0.23 0.00 0.00 176.91 179.08 2a5m h GLU 119 N 0.75 0.84 0.05 0.39 4.22 -1.85 0.65 114.58 119.62 2a5m h GLU 119 Ca 0.13 -0.47 -0.07 0.00 0.08 0.00 0.00 59.36 59.03 2a5m h GLU 119 Cb 0.58 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2a5m h GLU 119 CO 0.04 1.11 -0.30 0.37 -2.18 0.00 0.00 179.01 178.04 2a5m h GLN 120 N 0.68 0.10 -0.01 1.92 4.15 -1.14 -3.40 115.11 117.41 2a5m h GLN 120 Ca 0.04 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2a5m h GLN 120 Cb 1.02 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2a5m h GLN 120 CO 0.10 1.08 -0.04 1.19 -1.93 0.00 0.00 178.83 179.23 2a5m n PHE 121 N -4.44 0.00 -2.85 3.99 3.72 0.74 -4.99 117.46 113.62 2a5m n PHE 121 Ca -0.12 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.08 2a5m n PHE 121 Cb 0.60 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.35 -1.64 -4.90 1.38 8.25 0.22 -4.97 115.22 113.91 2a5m n HIS 122 Ca 0.05 0.40 -0.33 0.00 -0.26 0.00 0.00 57.72 57.58 2a5m n HIS 122 Cb 0.23 -4.10 -0.14 0.00 1.12 0.00 0.00 29.99 27.09 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 -5.97 2.65 0.19 2.41 1.43 -1.25 -4.96 118.68 113.17 2a5m s LEU 123 Ca 0.23 -0.28 0.21 0.00 -1.03 0.00 0.00 54.13 53.26 2a5m s LEU 123 Cb -0.10 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2a5m s LEU 123 CO 0.29 0.27 1.03 0.08 0.23 0.00 0.00 176.35 178.24 2a5m h ARG 124 N 5.92 0.00 -3.77 1.70 -0.00 -1.93 -3.24 114.38 113.06 2a5m h ARG 124 Ca -0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.52 2a5m h ARG 124 Cb 1.18 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 31.02 2a5m h ARG 124 CO 0.52 0.07 -0.26 -1.21 -0.00 0.00 0.00 179.97 179.08 2a5m s GLU 125 N -3.26 1.15 -0.08 0.08 2.02 -1.26 -4.57 118.70 112.77 2a5m s GLU 125 Ca -0.01 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2a5m s GLU 125 Cb 0.09 0.40 0.02 0.00 0.10 0.00 0.00 34.13 34.74 2a5m s GLU 125 CO 0.79 -0.43 -0.10 0.42 0.02 0.00 0.00 175.26 175.96 2a5m s ILE 126 N -3.93 1.05 -0.40 -1.63 -1.09 -0.92 -4.91 121.20 109.37 2a5m s ILE 126 Ca 0.14 -0.38 0.11 0.00 -2.23 0.00 0.00 60.65 58.29 2a5m s ILE 126 Cb 0.03 -1.01 -0.14 0.00 -1.58 0.00 0.00 42.46 39.76 2a5m s ILE 126 CO -0.02 0.35 0.42 1.41 -1.23 0.00 0.00 174.94 175.87 2a5m n HIS 127 N 4.26 0.00 -3.50 3.97 8.25 -1.25 -4.67 115.22 122.28 2a5m n HIS 127 Ca -0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 2a5m n HIS 127 Cb 0.51 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 2a5m n HIS 127 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2a5m s SER 128 N -2.43 -0.61 -0.24 0.41 1.04 -1.25 -2.49 113.70 108.13 2a5m s SER 128 Ca 0.02 0.47 -0.27 0.00 0.48 0.00 0.00 55.95 56.65 2a5m s SER 128 Cb 0.08 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.87 2a5m s SER 128 CO 0.48 -0.71 0.99 0.00 0.98 0.00 0.00 173.24 174.97 2a5m s LYS 130 N -0.16 1.58 -0.08 0.00 2.20 -0.46 -1.76 119.74 121.06 2a5m s LYS 130 Ca 0.01 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 2a5m s LYS 130 Cb -0.04 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2a5m s LYS 130 CO -0.03 -0.70 -0.08 0.54 -0.36 0.00 0.00 175.35 174.72 2a5m s VAL 131 N 1.28 3.61 -0.41 4.02 0.11 -1.26 -2.57 120.40 125.17 2a5m s VAL 131 Ca -0.01 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2a5m s VAL 131 Cb -0.19 -2.49 0.12 0.00 -1.53 0.00 0.00 36.38 32.30 2a5m s VAL 131 CO -0.09 0.58 0.19 -0.69 -3.33 0.00 0.00 175.10 171.76 2a5m s VAL 132 N -0.52 1.48 0.08 2.04 1.01 -1.24 -4.33 120.40 118.92 2a5m s VAL 132 Ca 0.08 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 59.70 2a5m s VAL 132 Cb -0.12 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2a5m s VAL 132 CO 0.02 -0.81 0.00 1.21 0.00 0.00 0.00 175.10 175.52 2a5m n GLU 133 N 3.85 0.00 0.00 2.72 0.00 -1.26 -4.54 120.64 121.40 2a5m n GLU 133 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2a5m n GLU 133 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.80 2a5m n GLU 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2a5m n GLY 134 N 0.51 -1.91 3.12 8.31 0.00 -1.26 -4.74 105.19 109.22 2a5m n GLY 134 Ca 0.00 0.63 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 2a5m n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5m s THR 135 N 0.00 1.88 0.12 2.61 -4.23 -1.26 -2.25 115.64 112.51 2a5m s THR 135 Ca 0.00 -0.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.73 2a5m s THR 135 Cb 0.00 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 2a5m s THR 135 CO 0.00 0.51 -0.18 0.26 -0.54 0.00 0.00 174.62 174.67 2a5m s TRP 136 N 0.99 1.65 -0.07 3.99 0.52 -0.86 -3.13 118.94 122.03 2a5m s TRP 136 Ca -0.04 -0.46 0.06 0.00 0.02 0.00 0.00 56.10 55.67 2a5m s TRP 136 Cb -0.15 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.29 2a5m s TRP 136 CO -0.04 0.21 -0.24 0.42 0.02 0.00 0.00 176.95 177.31 2a5m s ILE 137 N -1.61 2.10 -0.02 2.03 1.01 -0.58 -0.54 121.20 123.59 2a5m s ILE 137 Ca 0.08 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2a5m s ILE 137 Cb -0.08 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2a5m s ILE 137 CO 0.04 0.57 -0.08 -0.36 0.00 0.00 0.00 174.94 175.11 2a5m s PHE 138 N -0.06 2.87 0.02 3.97 0.40 -0.20 -1.05 117.98 123.92 2a5m s PHE 138 Ca -0.06 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.30 2a5m s PHE 138 Cb -0.15 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 2a5m s PHE 138 CO 0.05 0.34 -0.23 0.71 0.70 0.00 0.00 175.22 176.78 2a5m s TYR 139 N -0.91 2.06 0.22 0.36 1.51 0.16 -0.70 117.35 120.05 2a5m s TYR 139 Ca 0.15 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 2a5m s TYR 139 Cb -0.11 -1.27 0.15 0.00 -0.11 0.00 0.00 41.96 40.62 2a5m s TYR 139 CO 0.05 0.04 1.49 1.49 -1.11 0.00 0.00 175.55 177.51 2a5m h GLU 140 N 5.17 0.02 -6.51 -0.62 4.57 -1.28 -1.80 114.58 114.12 2a5m h GLU 140 Ca -0.43 -0.02 -0.64 0.00 -1.18 0.00 0.00 59.36 57.09 2a5m h GLU 140 Cb 1.14 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.59 2a5m h GLU 140 CO 0.45 0.77 -0.74 -0.51 -1.18 0.00 0.00 179.01 177.80 2a5m s LEU 141 N -7.32 2.94 1.07 1.64 1.43 0.28 -3.55 118.68 115.16 2a5m s LEU 141 Ca -0.01 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 2a5m s LEU 141 Cb 0.12 -1.67 0.13 0.00 0.03 0.00 0.00 46.19 44.79 2a5m s LEU 141 CO 0.79 0.13 0.42 -0.81 0.23 0.00 0.00 176.35 177.11 2a5m n PRO 142 N 0.30 -1.32 -2.59 1.29 -0.04 -1.26 -2.26 135.00 129.12 2a5m n PRO 142 Ca -0.12 -0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 62.77 2a5m n PRO 142 Cb 0.54 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2a5m n PRO 142 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2a5m n ASN 143 N -2.48 -6.03 -3.48 3.54 4.05 -0.89 -2.92 115.26 107.04 2a5m n ASN 143 Ca 0.04 -0.10 -0.18 0.00 0.45 0.00 0.00 54.58 54.78 2a5m n ASN 143 Cb 0.57 -4.97 0.07 0.00 1.23 0.00 0.00 39.78 36.68 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2a5m n TYR 144 N -4.18 -2.15 -4.41 1.20 4.01 -1.22 -5.02 117.16 105.39 2a5m n TYR 144 Ca -0.21 0.88 -0.20 0.00 -0.16 0.00 0.00 57.90 58.21 2a5m n TYR 144 Cb 0.67 -4.70 -0.10 0.00 -0.31 0.00 0.00 39.34 34.89 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 -5.40 1.53 0.85 -0.72 1.81 -0.96 -5.01 118.95 111.05 2a5m s ARG 145 Ca 0.09 -1.79 0.00 0.00 -1.72 0.00 0.00 55.73 52.31 2a5m s ARG 145 Cb -0.02 -0.98 0.00 0.00 -0.45 0.00 0.00 34.95 33.51 2a5m s ARG 145 CO 0.76 -0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.75 2a5m n GLY 146 N -0.57 -1.81 3.77 -3.53 0.00 -1.26 -0.56 105.19 101.23 2a5m n GLY 146 Ca -0.05 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 4.14 0.09 1.61 3.52 -1.26 -4.70 118.95 122.35 2a5m s ARG 147 Ca 0.00 1.93 0.07 0.00 -0.13 0.00 0.00 55.73 57.61 2a5m s ARG 147 Cb 0.00 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2a5m s ARG 147 CO 0.00 -0.28 -0.12 -0.65 -0.81 0.00 0.00 175.30 173.44 2a5m s GLN 148 N -2.14 2.08 -0.06 5.12 -0.21 -1.25 -1.51 119.66 121.69 2a5m s GLN 148 Ca 0.55 -1.03 0.04 0.00 0.02 0.00 0.00 55.36 54.94 2a5m s GLN 148 Cb -0.33 -2.27 -0.00 0.00 1.00 0.00 0.00 33.01 31.41 2a5m s GLN 148 CO 0.42 0.51 -0.20 0.71 -2.12 0.00 0.00 175.29 174.62 2a5m s TYR 149 N -1.15 2.03 -0.25 0.91 2.02 0.13 -4.63 117.35 116.41 2a5m s TYR 149 Ca 0.20 -0.68 -0.14 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 40.04 2a5m s TYR 149 CO 0.12 -0.25 0.34 -1.17 -1.57 0.00 0.00 175.55 173.01 2a5m s LEU 150 N 0.16 4.08 0.07 -1.29 2.96 -1.26 -1.03 118.68 122.36 2a5m s LEU 150 Ca -0.09 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.06 2a5m s LEU 150 Cb -0.14 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 2a5m s LEU 150 CO 0.04 -0.12 0.33 -0.76 -1.32 0.00 0.00 176.35 174.52 2a5m s LEU 151 N 1.73 4.34 0.00 -0.68 1.02 0.30 -4.94 118.68 120.44 2a5m s LEU 151 Ca 0.15 0.61 0.00 0.00 0.02 0.00 0.00 54.13 54.91 2a5m s LEU 151 Cb -0.15 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.12 2a5m s LEU 151 CO 0.09 0.17 0.00 0.47 0.02 0.00 0.00 176.35 177.10 2a5m n ASP 152 N 0.74 0.56 -1.10 2.29 8.00 -1.26 -2.03 116.55 123.75 2a5m n ASP 152 Ca -0.08 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2a5m n ASP 152 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2a5m n ASP 152 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2a5m n LYS 153 N -0.66 0.91 -3.97 -1.24 -0.00 -0.95 -4.71 118.16 107.53 2a5m n LYS 153 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2a5m n LYS 153 Cb 0.00 -1.05 -0.05 0.00 -0.00 0.00 0.00 35.03 33.93 2a5m n LYS 153 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2a5m s LYS 154 N 0.11 2.31 -0.15 -1.58 1.02 -1.26 -4.89 119.74 115.30 2a5m s LYS 154 Ca 0.00 -1.80 -0.06 0.00 0.02 0.00 0.00 55.97 54.13 2a5m s LYS 154 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 2a5m s LYS 154 CO 0.00 -0.21 0.06 -1.83 -0.92 0.00 0.00 175.35 172.45 2a5m s GLU 155 N -4.01 3.67 -0.34 1.68 -1.05 -1.26 -4.28 118.70 113.10 2a5m s GLU 155 Ca 0.41 -0.33 -0.13 0.00 -0.15 0.00 0.00 54.97 54.77 2a5m s GLU 155 Cb 0.01 -3.11 -0.01 0.00 -0.44 0.00 0.00 34.13 30.58 2a5m s GLU 155 CO 0.23 0.44 0.24 0.71 0.95 0.00 0.00 175.26 177.84 2a5m s TYR 156 N -0.12 3.23 -0.08 4.83 1.51 -0.72 -4.94 117.35 121.06 2a5m s TYR 156 Ca 0.07 -0.25 0.14 0.00 -1.01 0.00 0.00 57.07 56.02 2a5m s TYR 156 Cb -0.12 -2.48 -0.20 0.00 -0.11 0.00 0.00 41.96 39.05 2a5m s TYR 156 CO 0.01 -0.38 0.70 0.54 -1.11 0.00 0.00 175.55 175.31 2a5m n ARG 157 N 5.10 0.63 -4.36 -0.62 1.74 -1.26 -2.00 116.66 115.89 2a5m n ARG 157 Ca -0.13 0.26 -0.24 0.00 -0.77 0.00 0.00 57.85 56.98 2a5m n ARG 157 Cb 0.49 -1.79 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 2a5m n ARG 157 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2a5m s LYS 158 N -2.72 1.34 0.20 5.56 1.02 -1.26 -0.03 119.74 123.85 2a5m s LYS 158 Ca -0.04 -1.42 -0.10 0.00 0.02 0.00 0.00 55.97 54.43 2a5m s LYS 158 Cb 0.08 -1.51 0.13 0.00 -0.52 0.00 0.00 37.83 36.02 2a5m s LYS 158 CO 0.82 0.32 1.80 -1.00 -0.92 0.00 0.00 175.35 176.37 2a5m h PRO 159 N 3.32 1.02 0.00 -1.68 0.13 -1.81 -1.58 132.00 131.41 2a5m h PRO 159 Ca -0.44 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 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 0.49 0.78 0.00 0.28 -0.23 0.00 0.00 178.00 179.32 2a5m h VAL 160 N 1.00 0.00 0.00 1.56 2.07 -1.91 -1.97 116.25 117.00 2a5m h VAL 160 Ca 0.25 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2a5m h VAL 160 Cb 0.08 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 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 -1.59 -2.10 116.42 116.27 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 -2.85 1.55 -0.71 0.28 2.14 -0.74 -4.92 117.44 112.20 2a5m n TRP 162 Ca -0.00 -0.65 0.00 0.00 2.07 0.00 0.00 57.50 58.92 2a5m n TRP 162 Cb 0.19 -0.29 0.00 0.00 -0.81 0.00 0.00 31.31 30.40 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 0.93 0.65 3.87 -1.67 0.00 -0.79 -4.68 105.19 103.50 2a5m n GLY 163 Ca 0.26 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 3.85 -1.37 4.61 0.00 -1.25 -4.98 121.76 120.62 2a5m s ALA 164 Ca 0.00 -0.67 0.28 0.00 0.00 0.00 0.00 51.96 51.57 2a5m s ALA 164 Cb 0.00 -1.92 1.05 0.00 0.00 0.00 0.00 23.12 22.25 2a5m s ALA 164 CO 0.00 0.63 1.76 0.00 0.00 0.00 0.00 175.76 178.16 2a5m n ALA 165 N 1.85 2.85 -2.90 0.00 0.00 -1.26 -3.89 120.51 117.16 2a5m n ALA 165 Ca -0.19 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 2a5m n ALA 165 Cb 0.55 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.71 0.24 0.00 0.00 1.04 -1.26 -4.99 113.70 106.02 2a5m s SER 166 Ca 0.21 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2a5m s SER 166 Cb 0.19 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2a5m s SER 166 CO 0.54 -0.34 0.55 -0.81 0.98 0.00 0.00 173.24 174.16 2a5m n PRO 167 N 1.42 0.76 -2.79 4.02 -0.04 -1.26 -4.80 135.00 132.32 2a5m n PRO 167 Ca -0.23 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 2a5m n PRO 167 Cb 0.56 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.45 3.65 -0.16 0.55 0.00 -1.26 -2.16 121.76 120.93 2a5m s ALA 168 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 2a5m s ALA 168 Cb 0.00 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2a5m s ALA 168 CO 0.00 -0.94 0.34 0.42 0.00 0.00 0.00 175.76 175.58 2a5m s ILE 169 N 2.90 -0.38 -0.27 0.00 1.01 -1.26 -4.72 121.20 118.47 2a5m s ILE 169 Ca 0.39 0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.32 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 0.08 0.08 0.30 0.00 0.00 0.00 0.00 174.94 175.40 2a5m n GLN 170 N 5.04 3.01 -3.53 2.79 3.00 -0.70 -4.42 117.38 122.56 2a5m n GLN 170 Ca -0.12 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.72 2a5m n GLN 170 Cb 0.51 -0.99 -0.04 0.00 0.00 0.00 0.00 30.24 29.72 2a5m n GLN 170 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2a5m s SER 171 N -2.16 -0.43 0.05 1.08 0.01 -1.04 -1.37 113.70 109.84 2a5m s SER 171 Ca 0.01 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 2a5m s SER 171 Cb 0.06 0.53 0.04 0.00 0.21 0.00 0.00 66.02 66.86 2a5m s SER 171 CO 0.35 -0.87 0.41 0.72 0.41 0.00 0.00 173.24 174.26 2a5m s PHE 172 N -3.44 -0.26 0.00 2.43 -0.12 -0.98 0.40 117.98 116.01 2a5m s PHE 172 Ca 0.00 0.22 -0.06 0.00 -0.05 0.00 0.00 56.93 57.04 2a5m s PHE 172 Cb 0.00 0.22 -0.00 0.00 -0.63 0.00 0.00 43.02 42.61 2a5m s PHE 172 CO -0.10 -0.57 0.12 1.03 -0.05 0.00 0.00 175.22 175.65 2a5m s ARG 173 N -2.50 0.45 0.18 1.99 0.52 -0.22 -1.83 118.95 117.55 2a5m s ARG 173 Ca -0.05 -0.40 -0.20 0.00 -0.52 0.00 0.00 55.73 54.57 2a5m s ARG 173 Cb -0.01 0.19 -0.08 0.00 0.52 0.00 0.00 34.95 35.57 2a5m s ARG 173 CO -0.03 -0.10 0.68 -0.98 0.02 0.00 0.00 175.30 174.90 2a5m s ARG 174 N -1.33 4.26 -0.16 3.54 1.70 -1.26 -1.53 118.95 124.17 2a5m s ARG 174 Ca -0.14 0.84 -0.16 0.00 -0.47 0.00 0.00 55.73 55.80 2a5m s ARG 174 Cb -0.08 -3.00 -0.04 0.00 -0.57 0.00 0.00 34.95 31.26 2a5m s ARG 174 CO 0.01 0.47 0.39 0.42 -1.08 0.00 0.00 175.30 175.51 2a5m s ILE 175 N -1.39 5.23 0.03 4.99 1.01 -1.18 -4.94 121.20 124.94 2a5m s ILE 175 Ca 0.39 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.79 2a5m s ILE 175 Cb -0.18 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2a5m s ILE 175 CO 0.21 0.32 -0.06 -0.69 0.00 0.00 0.00 174.94 174.72 2a5m s VAL 176 N 0.81 0.39 0.00 2.92 1.01 -1.26 -4.84 120.40 119.44 2a5m s VAL 176 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2a5m s VAL 176 Cb -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2a5m s VAL 176 CO 0.07 -0.29 0.00 1.21 0.00 0.00 0.00 175.10 176.09