#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5m n LYS 2 N 0.00 1.37 0.00 1.43 4.76 -1.26 -4.94 118.16 119.52 2a5m n LYS 2 Ca 0.00 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 2a5m n LYS 2 Cb 0.00 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 2a5m n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2a5m n THR 3 N 0.68 0.00 0.00 -0.18 -1.04 -1.26 -5.15 114.28 107.33 2a5m n THR 3 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2a5m n THR 3 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2a5m n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2a5m n GLY 4 N 0.44 -0.70 3.80 3.41 0.00 -1.26 -5.16 105.19 105.72 2a5m n GLY 4 Ca 0.00 0.78 -0.35 0.00 0.00 0.00 0.00 46.02 46.45 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 2.59 -0.18 -0.02 0.00 -1.26 -4.64 107.32 103.82 2a5m s GLY 5 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 44.72 45.10 2a5m s GLY 5 CO 0.00 0.89 0.46 1.25 0.00 0.00 0.00 173.10 175.70 2a5m s LYS 6 N -2.73 0.52 -0.01 2.90 2.20 -0.83 -4.59 119.74 117.19 2a5m s LYS 6 Ca 0.59 0.68 0.04 0.00 -0.36 0.00 0.00 55.97 56.92 2a5m s LYS 6 Cb -0.16 0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 2a5m s LYS 6 CO 0.20 -0.08 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.48 2a5m s ILE 7 N 0.48 1.00 -0.08 5.43 2.07 -0.86 -1.31 121.20 127.93 2a5m s ILE 7 Ca -0.02 -0.54 0.04 0.00 -1.41 0.00 0.00 60.65 58.72 2a5m s ILE 7 Cb -0.04 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.72 2a5m s ILE 7 CO -0.02 0.28 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.64 2a5m s SER 8 N -0.30 2.70 -0.06 4.50 0.01 0.70 -1.43 113.70 119.82 2a5m s SER 8 Ca 0.05 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2a5m s SER 8 Cb -0.05 -1.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 2a5m s SER 8 CO -0.00 0.13 -0.07 -0.36 0.41 0.00 0.00 173.24 173.35 2a5m s PHE 9 N 0.37 2.93 -0.02 2.43 0.40 -0.26 -0.16 117.98 123.66 2a5m s PHE 9 Ca -0.16 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 2a5m s PHE 9 Cb -0.17 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2a5m s PHE 9 CO 0.07 0.33 -0.23 0.71 0.70 0.00 0.00 175.22 176.80 2a5m s TYR 10 N -0.82 2.07 0.32 0.36 1.51 -0.50 -1.35 117.35 118.95 2a5m s TYR 10 Ca 0.13 -0.44 0.16 0.00 -1.01 0.00 0.00 57.07 55.91 2a5m s TYR 10 Cb -0.11 -1.34 0.77 0.00 -0.11 0.00 0.00 41.96 41.18 2a5m s TYR 10 CO 0.02 -0.07 1.82 0.93 -1.11 0.00 0.00 175.55 177.14 2a5m h GLU 11 N 5.69 0.00 -5.84 -0.62 5.08 -1.37 0.42 114.58 117.93 2a5m h GLU 11 Ca -0.39 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.39 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 0.47 0.36 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.83 2a5m s ASP 12 N -6.72 4.33 0.65 1.42 1.01 -0.55 -3.72 116.67 113.09 2a5m s ASP 12 Ca -0.02 -1.15 -0.13 0.00 0.71 0.00 0.00 52.55 51.96 2a5m s ASP 12 Cb 0.13 -0.42 -0.01 0.00 1.01 0.00 0.00 42.92 43.63 2a5m s ASP 12 CO 0.70 -0.55 1.06 -0.13 0.21 0.00 0.00 175.17 176.46 2a5m s ARG 13 N -3.88 3.13 -1.12 8.23 0.52 -1.26 -3.65 118.95 120.92 2a5m s ARG 13 Ca 0.39 1.06 -0.02 0.00 -0.52 0.00 0.00 55.73 56.64 2a5m s ARG 13 Cb 0.05 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2a5m s ARG 13 CO 0.21 -0.95 0.31 -1.71 0.02 0.00 0.00 175.30 173.18 2a5m n ASN 14 N -2.62 -4.64 -3.73 0.23 5.15 -0.57 -3.16 115.26 105.92 2a5m n ASN 14 Ca 0.08 -0.15 -0.26 0.00 -0.60 0.00 0.00 54.58 53.65 2a5m n ASN 14 Cb 0.53 -3.58 0.05 0.00 -0.53 0.00 0.00 39.78 36.26 2a5m n ASN 14 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2a5m n PHE 15 N -4.10 -2.44 -4.18 1.20 3.72 -1.25 -5.00 117.46 105.42 2a5m n PHE 15 Ca -0.10 0.94 -0.24 0.00 -0.05 0.00 0.00 57.45 58.00 2a5m n PHE 15 Cb 0.60 -4.50 -0.07 0.00 -0.94 0.00 0.00 39.48 34.56 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 -6.31 2.24 0.79 -1.08 -0.21 -1.19 -5.02 119.66 108.88 2a5m s GLN 16 Ca 0.48 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 54.17 2a5m s GLN 16 Cb -0.23 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.74 2a5m s GLN 16 CO 0.79 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 174.42 2a5m n GLY 17 N -1.11 -1.88 3.77 3.09 0.00 -1.26 -1.48 105.19 106.32 2a5m n GLY 17 Ca -0.03 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 4.20 0.11 1.61 3.52 -1.26 -4.72 118.95 122.41 2a5m s ARG 18 Ca 0.00 2.00 0.10 0.00 -0.13 0.00 0.00 55.73 57.70 2a5m s ARG 18 Cb 0.00 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2a5m s ARG 18 CO 0.00 -0.24 -0.25 0.50 -0.81 0.00 0.00 175.30 174.49 2a5m s ARG 19 N -2.03 1.35 -0.06 5.12 3.52 -1.26 -1.55 118.95 124.04 2a5m s ARG 19 Ca 0.53 -1.27 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2a5m s ARG 19 Cb -0.35 -1.76 0.02 0.00 -1.56 0.00 0.00 34.95 31.31 2a5m s ARG 19 CO 0.45 0.42 -0.07 -0.47 -0.81 0.00 0.00 175.30 174.82 2a5m s TYR 20 N -1.06 1.07 -0.08 5.12 5.04 -0.46 -4.97 117.35 122.01 2a5m s TYR 20 Ca 0.12 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 2a5m s TYR 20 Cb -0.10 -0.89 -0.03 0.00 0.35 0.00 0.00 41.96 41.30 2a5m s TYR 20 CO 0.05 -0.28 -0.10 0.16 -1.34 0.00 0.00 175.55 174.04 2a5m s ASP 21 N 1.05 4.33 -0.02 4.32 1.47 -1.26 -1.10 116.67 125.47 2a5m s ASP 21 Ca -0.08 -0.14 0.03 0.00 1.18 0.00 0.00 52.55 53.53 2a5m s ASP 21 Cb -0.14 -1.18 -0.00 0.00 -0.34 0.00 0.00 42.92 41.25 2a5m s ASP 21 CO -0.00 0.31 -0.11 0.00 0.68 0.00 0.00 175.17 176.04 2a5m n ASP 23 N 2.98 2.39 -3.46 0.00 2.03 -1.26 -2.03 116.55 117.20 2a5m n ASP 23 Ca -0.15 -2.06 -0.09 0.00 0.52 0.00 0.00 54.79 53.01 2a5m n ASP 23 Cb 0.55 -0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.83 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a5m s ASP 25 N -3.03 5.68 -0.13 0.00 1.11 -1.26 -4.80 116.67 114.24 2a5m s ASP 25 Ca 0.17 2.82 -0.01 0.00 0.18 0.00 0.00 52.55 55.70 2a5m s ASP 25 Cb -0.04 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.34 2a5m s ASP 25 CO 0.10 -1.30 -0.02 0.00 1.18 0.00 0.00 175.17 175.13 2a5m h ALA 27 N 8.22 0.83 -1.56 0.00 0.00 -1.87 -1.40 119.26 123.48 2a5m h ALA 27 Ca -0.22 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 2a5m h ALA 27 Cb 1.12 -0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.58 2a5m h ALA 27 CO 0.35 0.45 -0.50 0.34 0.00 0.00 0.00 179.25 179.89 2a5m s ASP 28 N -6.35 -0.05 0.00 0.00 -1.08 -1.25 -3.54 116.67 104.39 2a5m s ASP 28 Ca 0.03 -0.22 0.15 0.00 -0.52 0.00 0.00 52.55 52.00 2a5m s ASP 28 Cb 0.08 1.31 0.39 0.00 -1.46 0.00 0.00 42.92 43.24 2a5m s ASP 28 CO 0.70 -0.34 1.31 2.22 0.52 0.00 0.00 175.17 179.58 2a5m n PHE 29 N 5.37 0.56 0.33 -5.34 -1.74 -1.11 -4.52 117.46 111.01 2a5m n PHE 29 Ca 0.01 -0.42 0.21 0.00 -0.56 0.00 0.00 57.45 56.69 2a5m n PHE 29 Cb 0.50 -0.01 1.14 0.00 1.52 0.00 0.00 39.48 42.63 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 2.94 0.00 0.00 3.97 3.08 -1.77 -0.07 114.38 122.53 2a5m h ARG 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a5m h ARG 30 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2a5m h ARG 30 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 179.67 2a5m h SER 31 N 0.00 0.00 0.00 7.04 0.02 -1.98 -3.09 113.55 115.55 2a5m h SER 31 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2a5m h SER 31 Cb 0.02 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 -1.94 -1.22 -1.14 0.00 0.00 176.83 172.53 2a5m n TYR 32 N -2.53 0.00 -3.70 3.45 4.01 -0.08 -4.94 117.16 113.36 2a5m n TYR 32 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 2a5m n TYR 32 Cb 0.36 -0.51 -0.11 0.00 -0.31 0.00 0.00 39.34 38.76 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 -4.50 0.02 0.06 7.72 2.96 -0.95 -4.78 118.68 119.20 2a5m s LEU 33 Ca -0.07 0.80 0.25 0.00 -0.22 0.00 0.00 54.13 54.89 2a5m s LEU 33 Cb 0.11 1.19 0.60 0.00 0.50 0.00 0.00 46.19 48.59 2a5m s LEU 33 CO 0.79 -0.19 1.50 -0.24 -1.32 0.00 0.00 176.35 176.90 2a5m n SER 34 N 4.29 0.51 -3.53 3.68 2.88 -1.26 -4.23 113.62 115.97 2a5m n SER 34 Ca -0.23 0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.32 2a5m n SER 34 Cb 0.54 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 2a5m n SER 34 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2a5m s ARG 35 N -3.07 0.86 -0.13 -1.46 0.52 -1.26 -4.98 118.95 109.43 2a5m s ARG 35 Ca 0.10 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 2a5m s ARG 35 Cb 0.16 0.38 0.06 0.00 0.52 0.00 0.00 34.95 36.07 2a5m s ARG 35 CO 0.67 -0.38 0.17 0.00 0.02 0.00 0.00 175.30 175.78 2a5m n ASN 37 N 5.32 2.34 -3.55 0.00 4.13 0.13 -4.52 115.26 119.11 2a5m n ASN 37 Ca -0.05 -1.66 -0.14 0.00 1.68 0.00 0.00 54.58 54.41 2a5m n ASN 37 Cb 0.50 -0.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.66 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2a5m s SER 38 N -1.25 -0.47 -0.02 6.41 1.04 -1.20 0.15 113.70 118.37 2a5m s SER 38 Ca 0.19 0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 2a5m s SER 38 Cb 0.13 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.77 2a5m s SER 38 CO 0.19 -0.75 0.18 -0.63 0.98 0.00 0.00 173.24 173.21 2a5m s ILE 39 N -2.55 0.06 -0.13 -1.02 1.01 -0.70 -1.41 121.20 116.46 2a5m s ILE 39 Ca -0.05 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2a5m s ILE 39 Cb -0.01 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.06 2a5m s ILE 39 CO -0.03 -0.26 -0.17 -0.60 0.00 0.00 0.00 174.94 173.88 2a5m s ARG 40 N -0.98 2.52 -0.32 2.79 3.52 0.77 -0.73 118.95 126.52 2a5m s ARG 40 Ca -0.11 -0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 54.74 2a5m s ARG 40 Cb -0.06 -2.12 0.01 0.00 -1.56 0.00 0.00 34.95 31.22 2a5m s ARG 40 CO 0.02 -0.08 0.13 0.08 -0.81 0.00 0.00 175.30 174.64 2a5m s VAL 41 N 1.01 4.29 0.04 7.11 1.01 0.12 -0.21 120.40 133.76 2a5m s VAL 41 Ca -0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2a5m s VAL 41 Cb -0.15 -3.25 -0.26 0.00 0.00 0.00 0.00 36.38 32.72 2a5m s VAL 41 CO -0.03 0.01 1.00 -0.08 0.00 0.00 0.00 175.10 175.99 2a5m h GLU 42 N 8.31 0.19 -1.97 2.72 4.57 -1.43 -1.28 114.58 125.69 2a5m h GLU 42 Ca -0.30 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.54 2a5m h GLU 42 Cb 1.13 0.12 -0.19 0.00 -0.16 0.00 0.00 28.75 29.65 2a5m h GLU 42 CO 0.62 1.08 0.30 0.20 -1.18 0.00 0.00 179.01 180.03 2a5m s GLY 43 N -4.84 -0.49 0.00 1.92 0.00 -1.23 -4.82 107.32 97.87 2a5m s GLY 43 Ca -0.05 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.10 2a5m s GLY 43 CO 0.85 0.89 0.00 0.61 0.00 0.00 0.00 173.10 175.45 2a5m n GLY 44 N 0.70 -1.27 3.29 0.20 0.00 -1.26 -1.96 105.19 104.89 2a5m n GLY 44 Ca -0.16 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.66 2.08 0.14 2.61 2.01 -1.26 -2.62 115.64 116.94 2a5m s THR 45 Ca 0.00 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 61.01 2a5m s THR 45 Cb 0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2a5m s THR 45 CO 0.00 0.57 -0.18 0.26 -0.69 0.00 0.00 174.62 174.58 2a5m s TRP 46 N -0.37 1.75 -0.13 4.92 0.52 -0.50 0.10 118.94 125.24 2a5m s TRP 46 Ca 0.03 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 2a5m s TRP 46 Cb -0.12 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 2a5m s TRP 46 CO 0.02 0.27 -0.02 0.00 0.02 0.00 0.00 176.95 177.23 2a5m s ALA 47 N -1.80 3.10 0.00 0.98 0.00 0.44 0.12 121.76 124.60 2a5m s ALA 47 Ca 0.12 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2a5m s ALA 47 Cb -0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2a5m s ALA 47 CO 0.05 0.35 -0.21 0.14 0.00 0.00 0.00 175.76 176.09 2a5m s VAL 48 N -0.09 2.54 0.04 0.00 -7.23 -0.21 -1.07 120.40 114.38 2a5m s VAL 48 Ca 0.03 -1.09 0.09 0.00 -1.81 0.00 0.00 61.98 59.20 2a5m s VAL 48 Cb -0.13 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2a5m s VAL 48 CO 0.02 0.47 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.72 2a5m s TYR 49 N -0.77 2.35 0.29 2.82 1.51 -0.70 -1.97 117.35 120.89 2a5m s TYR 49 Ca 0.12 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2a5m s TYR 49 Cb -0.10 -1.41 0.45 0.00 -0.11 0.00 0.00 41.96 40.79 2a5m s TYR 49 CO 0.02 0.13 1.77 1.49 -1.11 0.00 0.00 175.55 177.85 2a5m h GLU 50 N 4.82 0.55 -5.83 -0.62 4.57 -1.46 -2.37 114.58 114.25 2a5m h GLU 50 Ca -0.46 -0.17 -0.50 0.00 -1.18 0.00 0.00 59.36 57.04 2a5m h GLU 50 Cb 1.14 -0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 29.51 2a5m h GLU 50 CO 0.44 0.67 -0.76 1.03 -1.18 0.00 0.00 179.01 179.21 2a5m s ARG 51 N -4.72 1.32 1.09 1.92 0.52 -0.78 -3.19 118.95 115.11 2a5m s ARG 51 Ca -0.08 -1.50 -0.16 0.00 -0.52 0.00 0.00 55.73 53.48 2a5m s ARG 51 Cb 0.14 -1.29 0.13 0.00 0.52 0.00 0.00 34.95 34.45 2a5m s ARG 51 CO 0.79 0.25 0.31 -0.35 0.02 0.00 0.00 175.30 176.31 2a5m n PRO 52 N -0.00 -1.50 -3.09 3.54 -0.04 -1.26 -2.83 135.00 129.82 2a5m n PRO 52 Ca -0.11 -0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 62.76 2a5m n PRO 52 Cb 0.58 -1.84 0.04 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.34 -5.36 -4.04 3.54 5.03 -1.23 -3.11 115.26 107.74 2a5m n ASN 53 Ca 0.03 -0.32 -0.30 0.00 0.87 0.00 0.00 54.58 54.86 2a5m n ASN 53 Cb 0.59 -4.10 -0.03 0.00 -1.02 0.00 0.00 39.78 35.21 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2a5m n PHE 54 N -4.37 -1.53 -4.38 3.10 3.72 -1.25 -4.96 117.46 107.78 2a5m n PHE 54 Ca -0.05 0.60 -0.19 0.00 -0.05 0.00 0.00 57.45 57.75 2a5m n PHE 54 Cb 0.58 -3.33 -0.10 0.00 -0.94 0.00 0.00 39.48 35.68 2a5m n PHE 54 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2a5m s SER 55 N -4.18 2.44 0.00 4.37 1.04 -1.13 -5.06 113.70 111.18 2a5m s SER 55 Ca 0.11 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2a5m s SER 55 Cb -0.05 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2a5m s SER 55 CO 0.93 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2a5m n GLY 56 N -0.50 -1.73 3.77 7.32 0.00 -1.26 -1.87 105.19 110.91 2a5m n GLY 56 Ca -0.06 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 2.65 -0.08 1.61 5.65 -1.26 -4.69 115.29 119.17 2a5m s HIS 57 Ca 0.00 1.34 0.03 0.00 0.25 0.00 0.00 55.06 56.68 2a5m s HIS 57 Cb 0.00 -3.79 -0.01 0.00 -1.18 0.00 0.00 32.58 27.59 2a5m s HIS 57 CO 0.00 -2.50 -0.19 -1.64 -0.65 0.00 0.00 174.74 169.77 2a5m s MET 58 N -2.33 2.82 -0.02 2.88 1.00 -1.26 -2.10 119.30 120.28 2a5m s MET 58 Ca 0.58 -0.79 0.01 0.00 0.00 0.00 0.00 55.69 55.50 2a5m s MET 58 Cb -0.41 -2.36 0.01 0.00 0.00 0.00 0.00 34.83 32.07 2a5m s MET 58 CO 0.53 0.38 -0.05 0.71 0.00 0.00 0.00 175.02 176.59 2a5m s TYR 59 N -0.12 0.59 -0.15 -0.03 2.02 -0.83 -3.65 117.35 115.17 2a5m s TYR 59 Ca -0.03 -0.13 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 2a5m s TYR 59 Cb -0.14 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 2a5m s TYR 59 CO 0.04 -0.10 0.26 0.42 -1.57 0.00 0.00 175.55 174.60 2a5m s ILE 60 N 0.45 5.32 -0.23 2.71 -1.09 -1.26 -1.05 121.20 126.04 2a5m s ILE 60 Ca -0.05 0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.87 2a5m s ILE 60 Cb -0.09 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2a5m s ILE 60 CO -0.00 0.43 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.29 2a5m s LEU 61 N 0.20 2.83 0.92 2.97 1.43 0.12 -4.97 118.68 122.16 2a5m s LEU 61 Ca 0.16 -1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 51.95 2a5m s LEU 61 Cb -0.13 -1.35 0.14 0.00 0.03 0.00 0.00 46.19 44.89 2a5m s LEU 61 CO 0.04 -0.19 1.16 -2.16 0.23 0.00 0.00 176.35 175.43 2a5m s PRO 62 N 1.28 1.10 0.32 1.29 0.04 -1.26 -1.40 135.00 136.36 2a5m s PRO 62 Ca -0.06 0.16 -0.28 0.00 0.04 0.00 0.00 61.00 60.87 2a5m s PRO 62 Cb -0.18 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 2a5m s PRO 62 CO -0.06 -2.20 1.08 0.94 0.04 0.00 0.00 177.00 176.80 2a5m n GLN 63 N -3.74 1.56 -3.19 4.56 0.00 -1.08 -4.83 117.38 110.66 2a5m n GLN 63 Ca 0.08 0.55 0.00 0.00 -0.00 0.00 0.00 57.00 57.63 2a5m n GLN 63 Cb 0.60 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.84 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 1.10 -1.92 3.24 1.69 0.00 -0.48 -4.98 105.19 103.83 2a5m n GLY 64 Ca 0.08 -1.44 -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 -1.83 2.94 -0.35 1.61 2.12 -1.26 0.11 118.70 122.04 2a5m s GLU 65 Ca 0.00 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.49 2a5m s GLU 65 Cb 0.00 -2.28 0.10 0.00 0.26 0.00 0.00 34.13 32.21 2a5m s GLU 65 CO 0.00 0.23 0.07 0.71 -0.54 0.00 0.00 175.26 175.72 2a5m s TYR 66 N 0.22 3.55 -1.58 5.30 1.51 0.09 -4.98 117.35 121.47 2a5m s TYR 66 Ca -0.15 -2.91 0.16 0.00 -1.01 0.00 0.00 57.07 53.16 2a5m s TYR 66 Cb -0.17 -2.81 0.84 0.00 -0.11 0.00 0.00 41.96 39.71 2a5m s TYR 66 CO 0.08 -0.93 1.43 -0.35 -1.11 0.00 0.00 175.55 174.67 2a5m n PRO 67 N 4.24 0.30 -3.54 -1.71 -0.04 -1.26 -1.72 135.00 131.26 2a5m n PRO 67 Ca 0.04 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 2a5m n PRO 67 Cb 0.41 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2a5m n PRO 67 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2a5m s GLU 68 N -2.42 1.08 0.29 0.54 2.02 -1.26 -1.51 118.70 117.45 2a5m s GLU 68 Ca 0.17 -0.23 -0.02 0.00 0.02 0.00 0.00 54.97 54.92 2a5m s GLU 68 Cb 0.11 0.50 0.43 0.00 0.10 0.00 0.00 34.13 35.26 2a5m s GLU 68 CO 0.23 -0.40 1.95 0.10 0.02 0.00 0.00 175.26 177.16 2a5m h TYR 69 N 2.65 1.04 -0.01 1.61 -0.00 0.11 -1.34 116.97 121.04 2a5m h TYR 69 Ca -0.31 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2a5m h TYR 69 Cb 1.22 -0.35 -0.00 0.00 -0.00 0.00 0.00 36.73 37.61 2a5m h TYR 69 CO 0.34 0.67 0.01 1.96 -0.00 0.00 0.00 178.16 181.14 2a5m h GLN 70 N 1.10 0.00 0.00 0.10 1.08 -1.85 0.29 115.11 115.84 2a5m h GLN 70 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2a5m h GLN 70 Cb -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2a5m h GLN 70 CO -0.06 0.00 0.00 -0.09 -0.95 0.00 0.00 178.83 177.73 2a5m h ARG 71 N 0.00 0.00 -0.50 1.46 9.65 -1.63 -1.41 114.38 121.95 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 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 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 0.66 -1.73 2.20 -0.00 0.96 -4.93 117.44 111.74 2a5m n TRP 72 Ca 0.01 -0.46 -0.21 0.00 -0.00 0.00 0.00 57.50 56.84 2a5m n TRP 72 Cb 0.32 -0.01 -0.08 0.00 -0.00 0.00 0.00 31.31 31.53 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 1.06 -1.49 -1.76 5.87 2.81 -0.53 -4.91 117.12 118.17 2a5m n MET 73 Ca 0.17 1.20 -0.39 0.00 -1.81 0.00 0.00 57.70 56.87 2a5m n MET 73 Cb 0.52 -5.63 0.03 0.00 -0.71 0.00 0.00 33.22 27.42 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 -0.49 0.93 0.09 3.03 0.00 -0.86 -4.89 105.19 103.01 2a5m n GLY 74 Ca -0.21 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 1.96 0.00 0.00 0.99 5.85 -1.91 -3.43 115.31 118.77 2a5m h LEU 75 Ca -0.51 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2a5m h LEU 75 Cb 1.28 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 0.01 -0.46 -0.34 0.00 0.00 178.44 179.11 2a5m n ASN 76 N -3.47 -0.18 -2.07 1.25 0.23 -1.26 -5.03 115.26 104.73 2a5m n ASN 76 Ca -0.00 -1.15 -0.19 0.00 -0.53 0.00 0.00 54.58 52.71 2a5m n ASN 76 Cb 0.83 0.30 0.18 0.00 -2.08 0.00 0.00 39.78 39.01 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2a5m n ASP 77 N -1.34 3.79 -4.63 0.53 5.68 -1.26 -4.92 116.55 114.40 2a5m n ASP 77 Ca -0.01 -3.39 -0.38 0.00 -0.50 0.00 0.00 54.79 50.52 2a5m n ASP 77 Cb 0.05 -0.79 -0.10 0.00 -1.14 0.00 0.00 41.12 39.14 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2a5m s ARG 78 N -2.91 4.04 -0.10 0.11 6.06 -1.26 -2.17 118.95 122.71 2a5m s ARG 78 Ca 0.51 -0.14 -0.04 0.00 -2.50 0.00 0.00 55.73 53.55 2a5m s ARG 78 Cb 0.42 -3.60 0.05 0.00 0.06 0.00 0.00 34.95 31.88 2a5m s ARG 78 CO 0.10 -0.10 0.19 -0.51 -2.50 0.00 0.00 175.30 172.48 2a5m s LEU 79 N 1.54 -0.00 -0.01 -0.88 1.43 -1.26 -4.43 118.68 115.06 2a5m s LEU 79 Ca 0.11 0.42 0.13 0.00 -1.03 0.00 0.00 54.13 53.75 2a5m s LEU 79 Cb -0.15 0.44 -0.18 0.00 0.03 0.00 0.00 46.19 46.33 2a5m s LEU 79 CO 0.08 -0.23 0.37 0.61 0.23 0.00 0.00 176.35 177.42 2a5m n GLY 80 N 5.11 -0.45 3.38 -3.19 0.00 -0.89 -4.76 105.19 104.39 2a5m n GLY 80 Ca -0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2a5m n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a5m s SER 81 N -3.03 -0.41 -0.01 1.61 1.04 -1.24 -2.73 113.70 108.94 2a5m s SER 81 Ca -0.01 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 2a5m s SER 81 Cb 0.09 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2a5m s SER 81 CO 0.53 -0.81 0.15 0.00 0.98 0.00 0.00 173.24 174.09 2a5m s ARG 83 N -1.15 0.38 0.07 0.00 0.52 -0.23 -0.77 118.95 117.77 2a5m s ARG 83 Ca -0.12 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 2a5m s ARG 83 Cb -0.07 -0.35 -0.05 0.00 0.52 0.00 0.00 34.95 35.00 2a5m s ARG 83 CO 0.01 0.10 0.99 0.00 0.02 0.00 0.00 175.30 176.42 2a5m s ALA 84 N -0.20 3.23 -0.20 2.13 0.00 -1.26 -0.42 121.76 125.04 2a5m s ALA 84 Ca 0.01 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 2a5m s ALA 84 Cb -0.02 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2a5m s ALA 84 CO -0.00 -0.13 0.54 0.08 0.00 0.00 0.00 175.76 176.25 2a5m s VAL 85 N 0.41 5.09 0.00 0.00 1.01 0.28 -4.89 120.40 122.30 2a5m s VAL 85 Ca 0.49 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 2a5m s VAL 85 Cb -0.23 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2a5m s VAL 85 CO 0.29 0.16 0.59 -1.00 0.00 0.00 0.00 175.10 175.14 2a5m s HIS 86 N 1.73 3.70 -0.12 5.22 3.76 -1.26 -4.12 115.29 124.20 2a5m s HIS 86 Ca 0.25 1.20 -0.06 0.00 -0.15 0.00 0.00 55.06 56.30 2a5m s HIS 86 Cb -0.15 -2.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.90 2a5m s HIS 86 CO 0.10 0.38 0.11 -0.51 -0.85 0.00 0.00 174.74 173.97 2a5m s LEU 87 N -0.29 4.22 -0.20 0.89 1.43 -1.26 -4.75 118.68 118.71 2a5m s LEU 87 Ca 0.31 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 2a5m s LEU 87 Cb -0.18 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2a5m s LEU 87 CO 0.17 0.38 -0.06 -0.94 0.23 0.00 0.00 176.35 176.14 2a5m s SER 88 N -0.87 4.30 -0.10 2.29 1.04 -1.26 -5.09 113.70 114.01 2a5m s SER 88 Ca 0.14 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.22 2a5m s SER 88 Cb -0.12 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 2a5m s SER 88 CO 0.03 0.02 -0.14 -0.94 0.98 0.00 0.00 173.24 173.20 2a5m s SER 89 N 1.21 4.00 0.00 7.02 1.04 -1.26 -4.92 113.70 120.78 2a5m s SER 89 Ca 0.02 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.17 2a5m s SER 89 Cb -0.14 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.66 2a5m s SER 89 CO -0.01 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2a5m n GLY 90 N 3.05 -0.32 0.00 7.32 0.00 -1.26 -5.13 105.19 108.85 2a5m n GLY 90 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.48 -0.28 3.12 -0.02 0.00 -1.26 -5.12 105.19 100.14 2a5m n GLY 91 Ca 0.00 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 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 1.30 2.93 0.05 1.61 -0.44 -1.26 -5.10 119.66 118.76 2a5m s GLN 92 Ca 0.00 -0.87 -0.30 0.00 -2.50 0.00 0.00 55.36 51.69 2a5m s GLN 92 Cb 0.00 -2.60 -0.05 0.00 -1.64 0.00 0.00 33.01 28.72 2a5m s GLN 92 CO 0.00 -0.24 1.16 0.00 0.50 0.00 0.00 175.29 176.72 2a5m s ALA 93 N 1.28 3.35 -0.02 1.58 0.00 -1.26 -5.03 121.76 121.67 2a5m s ALA 93 Ca 0.04 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.83 2a5m s ALA 93 Cb -0.14 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 2a5m s ALA 93 CO -0.12 -0.40 -0.10 0.21 0.00 0.00 0.00 175.76 175.35 2a5m s LYS 94 N 1.06 0.89 0.04 0.00 2.20 -1.26 -4.52 119.74 118.15 2a5m s LYS 94 Ca 0.58 -0.34 0.06 0.00 -0.36 0.00 0.00 55.97 55.91 2a5m s LYS 94 Cb -0.28 -0.85 -0.02 0.00 -1.51 0.00 0.00 37.83 35.17 2a5m s LYS 94 CO 0.29 0.17 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.78 2a5m s ILE 95 N -0.05 1.39 -0.08 5.43 2.07 -0.88 -4.45 121.20 124.63 2a5m s ILE 95 Ca 0.01 -1.11 0.04 0.00 -1.41 0.00 0.00 60.65 58.18 2a5m s ILE 95 Cb -0.06 -1.23 -0.00 0.00 0.13 0.00 0.00 42.46 41.30 2a5m s ILE 95 CO -0.00 0.10 -0.22 0.00 -1.91 0.00 0.00 174.94 172.91 2a5m s GLN 96 N -1.18 2.60 0.07 3.50 -2.07 -1.22 -1.96 119.66 119.40 2a5m s GLN 96 Ca 0.04 -0.78 0.08 0.00 -1.82 0.00 0.00 55.36 52.88 2a5m s GLN 96 Cb -0.08 -2.05 -0.03 0.00 -1.09 0.00 0.00 33.01 29.76 2a5m s GLN 96 CO 0.02 0.20 -0.22 0.14 -1.32 0.00 0.00 175.29 174.11 2a5m s VAL 97 N 0.26 1.81 -0.02 3.63 -7.23 -0.32 -1.62 120.40 116.91 2a5m s VAL 97 Ca -0.14 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2a5m s VAL 97 Cb -0.16 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 2a5m s VAL 97 CO 0.06 0.14 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.41 2a5m s PHE 98 N -0.93 2.44 0.41 2.82 0.40 -0.70 -1.64 117.98 120.78 2a5m s PHE 98 Ca 0.08 -0.35 0.14 0.00 -0.60 0.00 0.00 56.93 56.20 2a5m s PHE 98 Cb -0.09 -1.52 0.86 0.00 0.51 0.00 0.00 43.02 42.77 2a5m s PHE 98 CO 0.03 0.06 1.90 1.49 0.70 0.00 0.00 175.22 179.40 2a5m h GLU 99 N 5.30 0.00 -5.85 0.44 4.81 -1.13 -3.34 114.58 114.82 2a5m h GLU 99 Ca -0.45 0.00 -0.60 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 30.40 2a5m h GLU 99 CO 0.47 0.28 -0.57 0.15 -0.73 0.00 0.00 179.01 178.61 2a5m s LYS 100 N -4.40 2.07 1.07 1.92 1.02 0.12 -4.20 119.74 117.35 2a5m s LYS 100 Ca -0.03 -1.92 -0.12 0.00 0.02 0.00 0.00 55.97 53.92 2a5m s LYS 100 Cb 0.15 -1.83 0.23 0.00 -0.52 0.00 0.00 37.83 35.86 2a5m s LYS 100 CO 0.71 -0.01 1.06 0.20 -0.92 0.00 0.00 175.35 176.39 2a5m s GLY 101 N -3.77 1.56 -1.56 -3.33 0.00 -1.26 -3.00 107.32 95.95 2a5m s GLY 101 Ca 0.37 -0.21 -0.15 0.00 0.00 0.00 0.00 44.72 44.73 2a5m s GLY 101 CO 0.20 0.44 0.96 1.22 0.00 0.00 0.00 173.10 175.91 2a5m n ASP 102 N -4.51 -4.59 -3.76 1.64 8.00 -0.86 -2.00 116.55 110.46 2a5m n ASP 102 Ca 0.04 -0.82 -0.24 0.00 0.71 0.00 0.00 54.79 54.49 2a5m n ASP 102 Cb 0.56 -3.70 0.02 0.00 -0.02 0.00 0.00 41.12 37.97 2a5m n ASP 102 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2a5m n PHE 103 N -4.64 -1.85 -4.45 1.24 3.72 -1.25 -4.99 117.46 105.24 2a5m n PHE 103 Ca 0.05 0.75 -0.22 0.00 -0.05 0.00 0.00 57.45 57.98 2a5m n PHE 103 Cb 0.52 -4.03 -0.10 0.00 -0.94 0.00 0.00 39.48 34.92 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 -4.19 2.91 0.00 4.37 0.02 -0.85 -5.01 114.94 112.19 2a5m s ASN 104 Ca 0.09 -1.21 0.00 0.00 -1.02 0.00 0.00 52.86 50.72 2a5m s ASN 104 Cb -0.03 -0.20 0.00 0.00 0.02 0.00 0.00 41.25 41.04 2a5m s ASN 104 CO 0.84 -0.34 0.00 0.61 0.02 0.00 0.00 177.10 178.23 2a5m n GLY 105 N -0.63 -1.80 3.78 0.66 0.00 -1.26 0.16 105.19 106.10 2a5m n GLY 105 Ca -0.05 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 4.21 -0.00 1.61 0.74 -1.26 -4.67 119.66 120.29 2a5m s GLN 106 Ca 0.00 1.54 0.06 0.00 0.05 0.00 0.00 55.36 57.01 2a5m s GLN 106 Cb 0.00 -2.61 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 2a5m s GLN 106 CO 0.00 -0.10 -0.19 1.41 -0.55 0.00 0.00 175.29 175.86 2a5m s MET 107 N -2.39 2.21 -0.03 1.67 -2.45 -1.26 -1.12 119.30 115.93 2a5m s MET 107 Ca 0.56 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 2a5m s MET 107 Cb -0.23 -2.21 0.00 0.00 1.25 0.00 0.00 34.83 33.64 2a5m s MET 107 CO 0.29 0.57 -0.11 0.71 1.05 0.00 0.00 175.02 177.53 2a5m s TYR 108 N -0.79 1.12 -0.05 4.11 2.02 -0.65 -4.97 117.35 118.14 2a5m s TYR 108 Ca 0.12 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.58 2a5m s TYR 108 Cb -0.10 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 2a5m s TYR 108 CO 0.02 -0.12 -0.22 -2.00 -1.57 0.00 0.00 175.55 171.66 2a5m s GLU 109 N 0.20 2.22 0.04 -0.62 2.12 -1.26 -1.17 118.70 120.23 2a5m s GLU 109 Ca -0.04 -0.80 -0.13 0.00 0.36 0.00 0.00 54.97 54.37 2a5m s GLU 109 Cb -0.10 -1.92 0.02 0.00 0.26 0.00 0.00 34.13 32.39 2a5m s GLU 109 CO 0.01 0.35 0.28 -0.08 -0.54 0.00 0.00 175.26 175.27 2a5m s THR 110 N -0.13 0.09 -0.94 -1.70 -1.32 -0.83 -5.00 115.64 105.81 2a5m s THR 110 Ca -0.02 -0.71 0.10 0.00 -1.21 0.00 0.00 61.69 59.84 2a5m s THR 110 Cb -0.12 -0.90 0.25 0.00 -1.51 0.00 0.00 72.50 70.21 2a5m s THR 110 CO 0.03 -0.39 1.17 0.35 -2.21 0.00 0.00 174.62 173.57 2a5m n THR 111 N 0.66 0.84 -4.50 5.08 -2.24 -1.26 -2.07 114.28 110.79 2a5m n THR 111 Ca -0.19 -0.92 -0.24 0.00 -2.27 0.00 0.00 64.05 60.43 2a5m n THR 111 Cb 0.59 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.98 1.72 0.71 -0.78 2.02 -1.26 -4.86 118.70 115.26 2a5m s GLU 112 Ca 0.20 -1.86 -0.14 0.00 0.02 0.00 0.00 54.97 53.19 2a5m s GLU 112 Cb 0.11 -1.61 0.03 0.00 0.10 0.00 0.00 34.13 32.76 2a5m s GLU 112 CO 0.14 0.17 1.13 0.16 0.02 0.00 0.00 175.26 176.89 2a5m s ASP 113 N -3.55 4.70 -0.21 -0.19 1.47 -1.26 -4.97 116.67 112.67 2a5m s ASP 113 Ca 0.31 2.05 0.00 0.00 1.18 0.00 0.00 52.55 56.10 2a5m s ASP 113 Cb 0.01 -2.55 0.05 0.00 -0.34 0.00 0.00 42.92 40.08 2a5m s ASP 113 CO 0.15 -1.91 -0.07 0.00 0.68 0.00 0.00 175.17 174.02 2a5m h PRO 115 N 8.00 0.00 -2.76 0.00 0.13 -1.88 -2.34 132.00 133.14 2a5m h PRO 115 Ca -0.22 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.51 2a5m h PRO 115 Cb 1.09 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.83 2a5m h PRO 115 CO 0.43 0.64 -0.69 -1.54 -0.23 0.00 0.00 178.00 176.61 2a5m s SER 116 N -6.69 2.01 0.26 1.44 1.04 -1.25 -2.06 113.70 108.45 2a5m s SER 116 Ca 0.00 -0.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2a5m s SER 116 Cb 0.11 0.05 0.33 0.00 0.10 0.00 0.00 66.02 66.61 2a5m s SER 116 CO 0.76 -0.35 1.85 0.40 0.98 0.00 0.00 173.24 176.88 2a5m h ILE 117 N 6.37 1.23 -0.33 -1.02 2.04 -1.19 -2.22 117.51 122.39 2a5m h ILE 117 Ca -0.16 -0.71 -0.13 0.00 1.00 0.00 0.00 64.86 64.86 2a5m h ILE 117 Cb 1.14 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2a5m h ILE 117 CO 0.30 0.29 -0.32 -0.03 0.00 0.00 0.00 178.15 178.39 2a5m h MET 118 N 1.00 0.73 -0.35 2.37 4.05 -1.81 0.13 114.93 121.04 2a5m h MET 118 Ca 0.24 -0.34 -0.16 0.00 -0.28 0.00 0.00 59.70 59.16 2a5m h MET 118 Cb 0.16 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2a5m h MET 118 CO -0.02 0.95 -0.40 0.93 0.23 0.00 0.00 176.91 178.59 2a5m h GLU 119 N 0.62 0.87 0.06 0.39 5.08 -1.82 0.17 114.58 119.95 2a5m h GLU 119 Ca 0.07 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 2a5m h GLU 119 Cb 0.84 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.12 2a5m h GLU 119 CO 0.07 1.11 -0.39 0.37 -1.00 0.00 0.00 179.01 179.17 2a5m h GLN 120 N 0.71 0.16 -0.01 2.33 4.15 -1.32 -3.39 115.11 117.74 2a5m h GLN 120 Ca 0.05 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2a5m h GLN 120 Cb 0.99 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2a5m h GLN 120 CO 0.10 1.10 -0.00 1.19 -1.93 0.00 0.00 178.83 179.28 2a5m n PHE 121 N -4.38 0.00 -2.85 3.99 3.72 0.02 -4.98 117.46 112.98 2a5m n PHE 121 Ca -0.12 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 2a5m n PHE 121 Cb 0.63 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.20 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 0.54 -1.66 -4.76 1.38 8.25 0.59 -4.97 115.22 114.59 2a5m n HIS 122 Ca 0.06 0.39 -0.33 0.00 -0.26 0.00 0.00 57.72 57.58 2a5m n HIS 122 Cb 0.25 -4.21 -0.13 0.00 1.12 0.00 0.00 29.99 27.02 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 -6.17 2.82 0.14 2.41 1.43 -1.25 -4.97 118.68 113.10 2a5m s LEU 123 Ca 0.23 -0.23 0.21 0.00 -1.03 0.00 0.00 54.13 53.30 2a5m s LEU 123 Cb -0.10 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 2a5m s LEU 123 CO 0.28 0.24 0.93 -2.11 0.23 0.00 0.00 176.35 175.92 2a5m n ARG 124 N 3.01 0.61 -3.88 1.70 0.00 -1.26 -3.25 116.66 113.58 2a5m n ARG 124 Ca -0.18 0.12 -0.09 0.00 -0.00 0.00 0.00 57.85 57.70 2a5m n ARG 124 Cb 0.53 -1.80 -0.06 0.00 -0.00 0.00 0.00 32.46 31.13 2a5m n ARG 124 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2a5m s GLU 125 N -3.25 1.19 -0.06 2.89 2.02 -1.26 -4.64 118.70 115.59 2a5m s GLU 125 Ca -0.02 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 53.92 2a5m s GLU 125 Cb 0.10 0.42 0.02 0.00 0.10 0.00 0.00 34.13 34.76 2a5m s GLU 125 CO 0.81 -0.45 -0.07 0.42 0.02 0.00 0.00 175.26 175.98 2a5m s ILE 126 N -3.93 0.79 -0.46 -1.63 1.01 -0.92 -4.93 121.20 111.13 2a5m s ILE 126 Ca 0.14 -0.25 0.14 0.00 0.00 0.00 0.00 60.65 60.67 2a5m s ILE 126 Cb 0.02 -0.77 -0.17 0.00 0.01 0.00 0.00 42.46 41.55 2a5m s ILE 126 CO -0.02 0.29 0.50 1.41 0.00 0.00 0.00 174.94 177.11 2a5m n HIS 127 N 4.08 0.00 -3.48 3.97 8.25 -1.25 -4.64 115.22 122.15 2a5m n HIS 127 Ca -0.22 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.10 2a5m n HIS 127 Cb 0.51 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.49 2a5m n HIS 127 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a5m s SER 128 N -2.66 -0.57 -0.21 0.41 0.15 -1.25 -3.18 113.70 106.39 2a5m s SER 128 Ca 0.02 0.33 -0.27 0.00 0.70 0.00 0.00 55.95 56.72 2a5m s SER 128 Cb 0.10 0.53 0.11 0.00 -1.71 0.00 0.00 66.02 65.05 2a5m s SER 128 CO 0.56 -0.74 0.95 0.00 1.20 0.00 0.00 173.24 175.21 2a5m s LYS 130 N -0.36 1.67 -0.13 0.00 2.20 -0.64 -3.67 119.74 118.80 2a5m s LYS 130 Ca -0.00 -1.77 -0.02 0.00 -0.36 0.00 0.00 55.97 53.81 2a5m s LYS 130 Cb -0.03 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2a5m s LYS 130 CO -0.01 -0.88 -0.05 0.54 -0.36 0.00 0.00 175.35 174.59 2a5m s VAL 131 N 0.96 3.84 -0.52 4.02 0.11 -1.26 -3.41 120.40 124.15 2a5m s VAL 131 Ca 0.07 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2a5m s VAL 131 Cb -0.19 -2.65 0.14 0.00 -1.53 0.00 0.00 36.38 32.15 2a5m s VAL 131 CO -0.07 0.53 0.30 -0.69 -3.33 0.00 0.00 175.10 171.85 2a5m s VAL 132 N -0.05 2.00 0.13 2.04 1.01 -1.26 -4.33 120.40 119.95 2a5m s VAL 132 Ca 0.01 -3.16 0.00 0.00 0.00 0.00 0.00 61.98 58.83 2a5m s VAL 132 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2a5m s VAL 132 CO 0.03 -0.91 0.00 -0.62 0.00 0.00 0.00 175.10 173.59 2a5m n GLU 133 N 3.03 0.00 0.00 2.72 -0.58 -1.26 -4.84 120.64 119.71 2a5m n GLU 133 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2a5m n GLU 133 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 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 0.45 0.62 2.57 0.62 0.00 -1.26 -4.66 105.19 103.53 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 -1.40 2.37 -4.66 2.61 -2.24 -1.26 -4.80 114.28 104.90 2a5m n THR 135 Ca 0.00 -4.93 -0.22 0.00 -2.27 0.00 0.00 64.05 56.63 2a5m n THR 135 Cb 0.00 -1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 66.94 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 -3.48 1.28 -0.03 4.78 0.52 -1.26 0.67 118.94 121.42 2a5m s TRP 136 Ca 0.47 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 56.41 2a5m s TRP 136 Cb 0.38 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.86 2a5m s TRP 136 CO -0.16 -0.02 -0.24 0.42 0.02 0.00 0.00 176.95 176.96 2a5m s ILE 137 N -0.33 1.93 -0.03 2.03 1.01 -0.21 -1.98 121.20 123.63 2a5m s ILE 137 Ca 0.05 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2a5m s ILE 137 Cb -0.06 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2a5m s ILE 137 CO -0.01 0.55 -0.09 -0.36 0.00 0.00 0.00 174.94 175.03 2a5m s PHE 138 N -0.47 2.83 0.04 3.97 0.40 0.04 -1.05 117.98 123.75 2a5m s PHE 138 Ca 0.06 -0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.41 2a5m s PHE 138 Cb -0.10 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 2a5m s PHE 138 CO 0.00 0.31 -0.22 0.71 0.70 0.00 0.00 175.22 176.72 2a5m s TYR 139 N -0.87 1.97 0.21 0.36 1.51 0.16 -0.30 117.35 120.39 2a5m s TYR 139 Ca 0.14 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 2a5m s TYR 139 Cb -0.11 -1.19 0.14 0.00 -0.11 0.00 0.00 41.96 40.69 2a5m s TYR 139 CO 0.04 0.08 1.48 1.49 -1.11 0.00 0.00 175.55 177.53 2a5m h GLU 140 N 4.95 0.02 -6.42 -0.62 4.22 -1.39 -1.47 114.58 113.87 2a5m h GLU 140 Ca -0.43 -0.02 -0.62 0.00 0.08 0.00 0.00 59.36 58.37 2a5m h GLU 140 Cb 1.15 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 2a5m h GLU 140 CO 0.44 0.77 -0.73 -0.51 -2.18 0.00 0.00 179.01 176.81 2a5m s LEU 141 N -7.30 2.92 1.11 1.64 1.43 -0.21 -3.16 118.68 115.11 2a5m s LEU 141 Ca -0.01 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 2a5m s LEU 141 Cb 0.12 -1.58 0.20 0.00 0.03 0.00 0.00 46.19 44.96 2a5m s LEU 141 CO 0.79 0.09 0.70 -0.81 0.23 0.00 0.00 176.35 177.34 2a5m n PRO 142 N -0.10 -1.81 -2.61 1.29 -0.04 -1.26 -2.50 135.00 127.98 2a5m n PRO 142 Ca -0.10 -0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 62.66 2a5m n PRO 142 Cb 0.56 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 -3.65 -5.79 -3.52 3.54 5.15 -0.87 -2.77 115.26 107.35 2a5m n ASN 143 Ca 0.04 -0.09 -0.19 0.00 -0.60 0.00 0.00 54.58 53.74 2a5m n ASN 143 Cb 0.56 -4.78 0.07 0.00 -0.53 0.00 0.00 39.78 35.10 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2a5m n TYR 144 N -4.11 -2.11 -4.44 1.20 4.01 -1.23 -5.01 117.16 105.47 2a5m n TYR 144 Ca -0.20 0.88 -0.22 0.00 -0.16 0.00 0.00 57.90 58.21 2a5m n TYR 144 Cb 0.66 -4.70 -0.10 0.00 -0.31 0.00 0.00 39.34 34.88 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 -5.51 1.58 0.83 -0.72 1.81 -1.04 -5.02 118.95 110.87 2a5m s ARG 145 Ca 0.06 -1.81 0.00 0.00 -1.72 0.00 0.00 55.73 52.26 2a5m s ARG 145 Cb -0.01 -1.18 0.00 0.00 -0.45 0.00 0.00 34.95 33.31 2a5m s ARG 145 CO 0.76 0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.83 2a5m n GLY 146 N -0.61 -1.81 3.77 -3.53 0.00 -1.26 -1.05 105.19 100.70 2a5m n GLY 146 Ca -0.05 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 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 0.07 1.61 3.52 -1.26 -4.73 118.95 122.30 2a5m s ARG 147 Ca 0.00 1.91 0.06 0.00 -0.13 0.00 0.00 55.73 57.57 2a5m s ARG 147 Cb 0.00 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 2a5m s ARG 147 CO 0.00 -0.27 -0.08 -0.65 -0.81 0.00 0.00 175.30 173.49 2a5m s GLN 148 N -2.14 2.31 -0.06 5.12 -0.21 -1.24 -1.77 119.66 121.67 2a5m s GLN 148 Ca 0.55 -0.90 0.04 0.00 0.02 0.00 0.00 55.36 55.07 2a5m s GLN 148 Cb -0.33 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.30 2a5m s GLN 148 CO 0.42 0.54 -0.19 0.71 -2.12 0.00 0.00 175.29 174.65 2a5m s TYR 149 N -1.14 1.93 -0.25 0.91 2.02 0.59 -4.52 117.35 116.90 2a5m s TYR 149 Ca 0.20 -0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 2a5m s TYR 149 Cb -0.11 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2a5m s TYR 149 CO 0.12 -0.23 0.26 -1.17 -1.57 0.00 0.00 175.55 172.96 2a5m s LEU 150 N 0.14 4.08 0.09 -1.29 2.96 -1.26 -0.78 118.68 122.62 2a5m s LEU 150 Ca -0.08 0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 53.89 2a5m s LEU 150 Cb -0.13 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.23 2a5m s LEU 150 CO 0.04 -0.05 0.49 -0.76 -1.32 0.00 0.00 176.35 174.74 2a5m s LEU 151 N 1.52 4.39 0.00 -0.68 1.43 -0.84 -5.02 118.68 119.48 2a5m s LEU 151 Ca 0.11 1.00 0.05 0.00 -1.03 0.00 0.00 54.13 54.27 2a5m s LEU 151 Cb -0.15 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 43.11 2a5m s LEU 151 CO 0.08 0.18 0.44 0.47 0.23 0.00 0.00 176.35 177.75 2a5m n ASP 152 N 1.13 2.52 -1.39 2.29 8.00 -1.26 -4.22 116.55 123.62 2a5m n ASP 152 Ca -0.08 -2.70 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2a5m n ASP 152 Cb 0.52 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.77 0.76 -4.05 -1.24 2.85 -1.26 -4.32 118.16 109.12 2a5m n LYS 153 Ca 0.01 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.00 2a5m n LYS 153 Cb 0.58 -1.12 -0.02 0.00 -0.65 0.00 0.00 35.03 33.81 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 0.39 2.25 -0.23 -1.58 1.02 -1.26 -4.88 119.74 115.44 2a5m s LYS 154 Ca 0.00 -2.06 -0.07 0.00 0.02 0.00 0.00 55.97 53.86 2a5m s LYS 154 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 2a5m s LYS 154 CO 0.00 -0.52 0.06 -1.21 -0.92 0.00 0.00 175.35 172.76 2a5m s GLU 155 N -4.17 3.69 -0.37 1.68 0.41 -1.26 -4.46 118.70 114.21 2a5m s GLU 155 Ca 0.30 -0.46 -0.15 0.00 -0.41 0.00 0.00 54.97 54.25 2a5m s GLU 155 Cb -0.01 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2a5m s GLU 155 CO 0.18 -0.10 0.31 0.71 -0.49 0.00 0.00 175.26 175.87 2a5m s TYR 156 N 1.38 3.22 -0.13 1.61 1.51 -1.24 -4.93 117.35 118.77 2a5m s TYR 156 Ca 0.05 -0.31 0.18 0.00 -1.01 0.00 0.00 57.07 55.99 2a5m s TYR 156 Cb -0.15 -2.61 -0.20 0.00 -0.11 0.00 0.00 41.96 38.90 2a5m s TYR 156 CO 0.03 -0.49 0.59 0.54 -1.11 0.00 0.00 175.55 175.12 2a5m n ARG 157 N 5.25 0.64 -4.33 -0.62 1.74 -1.26 -3.41 116.66 114.67 2a5m n ARG 157 Ca -0.11 0.09 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 2a5m n ARG 157 Cb 0.48 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.94 1.26 0.22 5.56 1.02 -1.26 -2.04 119.74 121.57 2a5m s LYS 158 Ca -0.05 -1.37 -0.08 0.00 0.02 0.00 0.00 55.97 54.48 2a5m s LYS 158 Cb 0.09 -1.37 0.19 0.00 -0.52 0.00 0.00 37.83 36.22 2a5m s LYS 158 CO 0.83 0.29 1.84 -1.00 -0.92 0.00 0.00 175.35 176.39 2a5m h PRO 159 N 3.38 1.18 0.00 -1.68 0.13 -1.88 -0.88 132.00 132.25 2a5m h PRO 159 Ca -0.43 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2a5m h PRO 159 Cb 1.20 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2a5m h PRO 159 CO 0.49 0.87 0.00 0.28 -0.23 0.00 0.00 178.00 179.41 2a5m h VAL 160 N 1.18 0.00 0.00 1.56 2.07 -1.91 -1.56 116.25 117.59 2a5m h VAL 160 Ca 0.30 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2a5m h VAL 160 Cb 0.03 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2a5m h VAL 160 CO -0.05 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.76 2a5m h ASP 161 N 0.00 0.00 -0.58 0.57 3.58 -1.46 -1.83 116.42 116.70 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 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 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 -2.86 1.27 -0.59 0.28 2.14 -0.59 -4.93 117.44 112.16 2a5m n TRP 162 Ca -0.00 -0.61 0.00 0.00 2.07 0.00 0.00 57.50 58.95 2a5m n TRP 162 Cb 0.20 -0.20 0.00 0.00 -0.81 0.00 0.00 31.31 30.49 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 0.94 0.71 3.86 -1.67 0.00 -0.69 -4.72 105.19 103.62 2a5m n GLY 163 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.03 3.82 -1.35 4.61 0.00 -1.24 -4.97 121.76 120.60 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 -1.90 1.12 0.00 0.00 0.00 0.00 23.12 22.34 2a5m s ALA 164 CO 0.00 0.63 1.81 0.00 0.00 0.00 0.00 175.76 178.20 2a5m n ALA 165 N 1.85 2.78 -2.99 0.00 0.00 -1.26 -3.72 120.51 117.17 2a5m n ALA 165 Ca -0.19 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2a5m n ALA 165 Cb 0.54 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 2a5m n ALA 165 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2a5m s SER 166 N -2.71 0.14 0.00 0.00 0.01 -1.26 -4.99 113.70 104.89 2a5m s SER 166 Ca 0.22 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2a5m s SER 166 Cb 0.19 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2a5m s SER 166 CO 0.53 -0.36 0.47 -0.81 0.41 0.00 0.00 173.24 173.48 2a5m n PRO 167 N 1.41 0.77 -2.78 12.44 -0.04 -1.26 -4.83 135.00 140.72 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 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.23 3.51 -0.14 0.55 0.00 -1.26 -2.16 121.76 121.03 2a5m s ALA 168 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 2a5m s ALA 168 Cb 0.00 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.82 2a5m s ALA 168 CO 0.00 -0.71 0.32 0.42 0.00 0.00 0.00 175.76 175.79 2a5m s ILE 169 N 2.29 -0.16 -0.13 0.00 1.01 -1.26 -4.72 121.20 118.23 2a5m s ILE 169 Ca 0.43 0.15 0.07 0.00 0.00 0.00 0.00 60.65 61.30 2a5m s ILE 169 Cb -0.17 -0.49 -0.10 0.00 0.01 0.00 0.00 42.46 41.71 2a5m s ILE 169 CO 0.13 0.06 0.21 0.00 0.00 0.00 0.00 174.94 175.35 2a5m n GLN 170 N 4.54 1.86 -3.52 2.79 1.13 -0.59 -4.71 117.38 118.88 2a5m n GLN 170 Ca -0.20 -0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 54.70 2a5m n GLN 170 Cb 0.53 -1.05 -0.03 0.00 0.11 0.00 0.00 30.24 29.80 2a5m n GLN 170 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2a5m s SER 171 N -2.41 -0.43 0.02 1.08 0.15 -0.99 -0.73 113.70 110.40 2a5m s SER 171 Ca -0.01 -0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.38 2a5m s SER 171 Cb 0.05 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 2a5m s SER 171 CO 0.30 -0.90 0.35 0.72 1.20 0.00 0.00 173.24 174.91 2a5m s PHE 172 N -3.64 -0.20 0.01 3.44 -0.12 -0.88 0.39 117.98 116.98 2a5m s PHE 172 Ca 0.01 0.19 -0.07 0.00 -0.05 0.00 0.00 56.93 57.01 2a5m s PHE 172 Cb 0.00 0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.53 2a5m s PHE 172 CO -0.12 -0.48 0.14 1.03 -0.05 0.00 0.00 175.22 175.74 2a5m s ARG 173 N -2.03 0.52 0.16 1.99 0.52 -0.22 -2.07 118.95 117.83 2a5m s ARG 173 Ca -0.08 -0.47 -0.18 0.00 -0.52 0.00 0.00 55.73 54.47 2a5m s ARG 173 Cb -0.02 0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.58 2a5m s ARG 173 CO 0.00 -0.13 0.63 -0.98 0.02 0.00 0.00 175.30 174.85 2a5m s ARG 174 N -1.66 4.16 -0.16 3.54 1.70 -1.26 -1.04 118.95 124.22 2a5m s ARG 174 Ca -0.13 0.72 -0.15 0.00 -0.47 0.00 0.00 55.73 55.71 2a5m s ARG 174 Cb -0.06 -2.99 -0.04 0.00 -0.57 0.00 0.00 34.95 31.28 2a5m s ARG 174 CO 0.00 0.48 0.35 0.42 -1.08 0.00 0.00 175.30 175.48 2a5m s ILE 175 N -1.40 5.26 0.02 4.99 1.01 0.21 -4.93 121.20 126.36 2a5m s ILE 175 Ca 0.38 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.71 2a5m s ILE 175 Cb -0.17 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2a5m s ILE 175 CO 0.20 0.34 -0.06 0.54 0.00 0.00 0.00 174.94 175.96 2a5m s VAL 176 N 0.73 0.43 0.00 2.92 0.11 -1.26 -4.87 120.40 118.46 2a5m s VAL 176 Ca 0.19 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2a5m s VAL 176 Cb -0.14 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2a5m s VAL 176 CO 0.06 -0.23 0.00 -0.62 -3.33 0.00 0.00 175.10 170.98