#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 0.50 0.00 4.33 5.02 -1.26 -4.84 118.16 121.91 2a5m n LYS 2 Ca 0.00 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2a5m n LYS 2 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 2a5m n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2a5m n THR 3 N 7.66 0.00 0.00 -0.18 -1.04 -1.26 -5.13 114.28 114.32 2a5m n THR 3 Ca 0.52 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 2a5m n THR 3 Cb 0.31 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 5.00 -1.48 3.81 3.41 0.00 -1.26 -5.15 105.19 109.52 2a5m n GLY 4 Ca 0.00 0.92 -0.34 0.00 0.00 0.00 0.00 46.02 46.60 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 2.49 -0.15 -0.02 0.00 -1.26 -4.71 107.32 103.67 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 0.80 0.38 1.25 0.00 0.00 0.00 173.10 175.53 2a5m s LYS 6 N -3.02 0.41 -0.02 2.90 2.20 -0.81 -4.57 119.74 116.84 2a5m s LYS 6 Ca 0.62 0.60 0.04 0.00 -0.36 0.00 0.00 55.97 56.87 2a5m s LYS 6 Cb -0.13 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.30 2a5m s LYS 6 CO 0.17 -0.09 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.42 2a5m s ILE 7 N 0.63 1.13 -0.09 5.43 2.07 -0.84 -1.53 121.20 128.00 2a5m s ILE 7 Ca -0.03 -0.60 0.04 0.00 -1.41 0.00 0.00 60.65 58.64 2a5m s ILE 7 Cb -0.05 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2a5m s ILE 7 CO -0.04 0.32 -0.22 -0.55 -1.91 0.00 0.00 174.94 172.55 2a5m s SER 8 N -0.26 2.82 -0.09 4.50 0.15 0.60 -1.40 113.70 120.02 2a5m s SER 8 Ca 0.04 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.18 2a5m s SER 8 Cb -0.06 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 2a5m s SER 8 CO -0.00 0.14 -0.03 -0.36 1.20 0.00 0.00 173.24 174.18 2a5m s PHE 9 N 0.37 3.05 -0.03 3.44 0.40 0.07 -0.16 117.98 125.13 2a5m s PHE 9 Ca -0.17 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 2a5m s PHE 9 Cb -0.17 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 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 -0.65 2.05 0.25 0.36 1.51 0.29 -1.11 117.35 120.05 2a5m s TYR 10 Ca 0.10 -0.46 0.15 0.00 -1.01 0.00 0.00 57.07 55.85 2a5m s TYR 10 Cb -0.12 -1.33 0.58 0.00 -0.11 0.00 0.00 41.96 40.98 2a5m s TYR 10 CO 0.02 -0.08 1.71 0.93 -1.11 0.00 0.00 175.55 177.01 2a5m h GLU 11 N 5.76 0.00 -5.97 -0.62 5.08 -1.38 -1.04 114.58 116.41 2a5m h GLU 11 Ca -0.38 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.42 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 0.46 -0.52 0.34 -1.00 0.00 0.00 179.01 178.77 2a5m s ASP 12 N -6.66 4.45 0.65 1.42 2.15 -0.44 -3.93 116.67 114.31 2a5m s ASP 12 Ca -0.01 -0.99 -0.13 0.00 0.43 0.00 0.00 52.55 51.85 2a5m s ASP 12 Cb 0.12 -0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 42.19 2a5m s ASP 12 CO 0.72 -0.44 1.07 -0.13 -0.17 0.00 0.00 175.17 176.21 2a5m s ARG 13 N -3.87 3.03 -1.07 4.34 0.52 -1.26 -3.54 118.95 117.10 2a5m s ARG 13 Ca 0.39 1.12 -0.03 0.00 -0.52 0.00 0.00 55.73 56.70 2a5m s ARG 13 Cb 0.02 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.49 2a5m s ARG 13 CO 0.22 -1.03 0.43 -1.71 0.02 0.00 0.00 175.30 173.22 2a5m n ASN 14 N -2.61 -4.71 -3.96 0.23 4.05 -0.53 -3.07 115.26 104.65 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 -3.57 -0.00 0.00 1.23 0.00 0.00 39.78 37.97 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 -4.12 -1.87 -4.14 1.20 1.16 -1.25 -4.98 117.46 103.46 2a5m n PHE 15 Ca -0.08 0.81 -0.24 0.00 -1.87 0.00 0.00 57.45 56.08 2a5m n PHE 15 Cb 0.58 -3.73 -0.07 0.00 -1.61 0.00 0.00 39.48 34.65 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2a5m s GLN 16 N -6.56 2.28 0.80 3.97 -0.21 -1.18 -5.01 119.66 113.76 2a5m s GLN 16 Ca 0.32 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 54.05 2a5m s GLN 16 Cb -0.17 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.75 2a5m s GLN 16 CO 0.87 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 174.52 2a5m n GLY 17 N -1.13 -1.85 3.77 3.09 0.00 -1.26 -1.33 105.19 106.47 2a5m n GLY 17 Ca -0.03 -1.65 -0.40 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 4.36 0.11 1.61 3.52 -1.26 -4.74 118.95 122.55 2a5m s ARG 18 Ca 0.00 2.04 0.10 0.00 -0.13 0.00 0.00 55.73 57.74 2a5m s ARG 18 Cb 0.00 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 2a5m s ARG 18 CO 0.00 -0.12 -0.26 0.50 -0.81 0.00 0.00 175.30 174.62 2a5m s ARG 19 N -1.81 1.41 -0.06 5.12 3.52 -1.26 -1.52 118.95 124.35 2a5m s ARG 19 Ca 0.49 -1.28 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 2a5m s ARG 19 Cb -0.36 -1.82 0.02 0.00 -1.56 0.00 0.00 34.95 31.23 2a5m s ARG 19 CO 0.47 0.44 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.87 2a5m s TYR 20 N -1.03 0.97 -0.09 5.12 5.04 -0.26 -4.96 117.35 122.13 2a5m s TYR 20 Ca 0.12 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2a5m s TYR 20 Cb -0.10 -0.83 -0.03 0.00 0.35 0.00 0.00 41.96 41.35 2a5m s TYR 20 CO 0.05 -0.27 -0.09 0.16 -1.34 0.00 0.00 175.55 174.06 2a5m s ASP 21 N 1.12 4.40 -0.02 4.32 -4.77 -1.26 -0.75 116.67 119.71 2a5m s ASP 21 Ca -0.07 -0.13 0.03 0.00 -3.30 0.00 0.00 52.55 49.07 2a5m s ASP 21 Cb -0.14 -1.25 -0.00 0.00 -1.09 0.00 0.00 42.92 40.44 2a5m s ASP 21 CO -0.01 0.30 -0.11 0.00 0.70 0.00 0.00 175.17 176.05 2a5m n ASP 23 N 3.00 2.37 -3.43 0.00 5.68 -1.26 -1.99 116.55 120.91 2a5m n ASP 23 Ca -0.16 -2.09 -0.09 0.00 -0.50 0.00 0.00 54.79 51.95 2a5m n ASP 23 Cb 0.55 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.41 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 -3.02 5.70 -0.13 0.00 1.11 -1.26 -4.74 116.67 114.32 2a5m s ASP 25 Ca 0.16 2.73 -0.01 0.00 0.18 0.00 0.00 52.55 55.61 2a5m s ASP 25 Cb -0.04 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.35 2a5m s ASP 25 CO 0.10 -1.28 -0.02 0.00 1.18 0.00 0.00 175.17 175.16 2a5m h ALA 27 N 8.23 0.82 -1.56 0.00 0.00 -1.87 -0.95 119.26 123.92 2a5m h ALA 27 Ca -0.22 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 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 0.34 0.48 -0.50 0.34 0.00 0.00 0.00 179.25 179.91 2a5m s ASP 28 N -6.37 -0.03 0.00 0.00 2.15 -1.25 -2.31 116.67 108.86 2a5m s ASP 28 Ca 0.03 -0.24 0.16 0.00 0.43 0.00 0.00 52.55 52.93 2a5m s ASP 28 Cb 0.08 1.30 0.46 0.00 -0.30 0.00 0.00 42.92 44.46 2a5m s ASP 28 CO 0.71 -0.34 1.38 2.22 -0.17 0.00 0.00 175.17 178.96 2a5m n PHE 29 N 5.37 0.69 0.30 -5.34 -1.74 -1.04 -4.52 117.46 111.17 2a5m n PHE 29 Ca 0.01 -0.49 0.19 0.00 -0.56 0.00 0.00 57.45 56.60 2a5m n PHE 29 Cb 0.50 -0.01 1.02 0.00 1.52 0.00 0.00 39.48 42.51 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 3.05 0.00 0.00 3.97 2.47 -1.77 -0.19 114.38 121.92 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 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 2a5m h ARG 30 CO 0.00 0.00 0.00 1.03 0.56 0.00 0.00 179.97 181.56 2a5m h SER 31 N 0.00 0.00 0.00 7.04 0.87 -1.98 -3.11 113.55 116.38 2a5m h SER 31 Ca 0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2a5m h SER 31 Cb 0.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2a5m h SER 31 CO -0.00 0.00 -1.95 -1.22 -0.53 0.00 0.00 176.83 173.13 2a5m n TYR 32 N -2.55 0.00 -3.70 2.24 4.01 -0.12 -4.94 117.16 112.09 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 0.35 -0.53 -0.11 0.00 -0.31 0.00 0.00 39.34 38.74 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 -4.53 -0.00 0.00 7.72 2.96 -0.94 -4.83 118.68 119.05 2a5m s LEU 33 Ca -0.07 0.81 0.27 0.00 -0.22 0.00 0.00 54.13 54.91 2a5m s LEU 33 Cb 0.11 1.19 0.87 0.00 0.50 0.00 0.00 46.19 48.87 2a5m s LEU 33 CO 0.79 -0.19 1.67 -1.54 -1.32 0.00 0.00 176.35 175.76 2a5m n SER 34 N 4.32 0.28 -3.56 3.68 3.41 -1.26 -4.21 113.62 116.29 2a5m n SER 34 Ca -0.23 0.06 -0.06 0.00 -0.26 0.00 0.00 58.87 58.37 2a5m n SER 34 Cb 0.54 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 2a5m n SER 34 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2a5m s ARG 35 N -2.97 0.71 -0.15 4.33 3.52 -1.26 -4.98 118.95 118.15 2a5m s ARG 35 Ca 0.13 -0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.41 2a5m s ARG 35 Cb 0.18 0.31 0.06 0.00 -1.56 0.00 0.00 34.95 33.95 2a5m s ARG 35 CO 0.61 -0.31 0.13 0.00 -0.81 0.00 0.00 175.30 174.92 2a5m n ASN 37 N 5.30 1.85 -3.67 0.00 2.04 -0.42 -4.40 115.26 115.96 2a5m n ASN 37 Ca -0.06 -1.42 -0.14 0.00 -0.44 0.00 0.00 54.58 52.52 2a5m n ASN 37 Cb 0.49 0.06 -0.07 0.00 -2.53 0.00 0.00 39.78 37.73 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2a5m s SER 38 N -0.99 -0.33 -0.02 0.53 0.15 -1.04 0.11 113.70 112.11 2a5m s SER 38 Ca 0.13 0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.85 2a5m s SER 38 Cb 0.09 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.82 2a5m s SER 38 CO 0.16 -0.58 0.20 -0.63 1.20 0.00 0.00 173.24 173.59 2a5m s ILE 39 N -1.85 0.06 -0.10 6.45 1.01 -0.76 -0.55 121.20 125.47 2a5m s ILE 39 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2a5m s ILE 39 Cb -0.02 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 41.99 2a5m s ILE 39 CO 0.02 -0.28 -0.14 -0.60 0.00 0.00 0.00 174.94 173.93 2a5m s ARG 40 N -1.13 2.11 -0.30 2.79 3.52 0.78 -0.88 118.95 125.84 2a5m s ARG 40 Ca -0.12 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 54.88 2a5m s ARG 40 Cb -0.06 -1.80 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 2a5m s ARG 40 CO 0.02 -0.06 0.10 0.08 -0.81 0.00 0.00 175.30 174.64 2a5m s VAL 41 N 0.97 4.21 0.03 7.11 1.01 0.17 -0.29 120.40 133.60 2a5m s VAL 41 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2a5m s VAL 41 Cb -0.15 -3.15 -0.26 0.00 0.00 0.00 0.00 36.38 32.82 2a5m s VAL 41 CO -0.01 0.09 0.95 -0.08 0.00 0.00 0.00 175.10 176.05 2a5m h GLU 42 N 8.28 0.17 -1.95 2.72 4.81 -1.50 -1.05 114.58 126.06 2a5m h GLU 42 Ca -0.32 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2a5m h GLU 42 Cb 1.14 0.11 -0.19 0.00 0.63 0.00 0.00 28.75 30.43 2a5m h GLU 42 CO 0.61 1.03 0.34 0.20 -0.73 0.00 0.00 179.01 180.45 2a5m s GLY 43 N -4.89 -0.46 0.00 1.92 0.00 -1.23 -4.81 107.32 97.84 2a5m s GLY 43 Ca -0.06 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.14 2a5m s GLY 43 CO 0.85 0.87 0.00 0.61 0.00 0.00 0.00 173.10 175.42 2a5m n GLY 44 N 0.65 -1.30 3.73 0.20 0.00 -1.26 -1.92 105.19 105.29 2a5m n GLY 44 Ca -0.15 -1.59 -0.22 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 -1.52 3.81 -0.03 2.61 2.01 -1.26 -2.52 115.64 118.73 2a5m s THR 45 Ca 0.00 -1.67 -0.12 0.00 0.31 0.00 0.00 61.69 60.21 2a5m s THR 45 Cb 0.00 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2a5m s THR 45 CO 0.00 -0.34 0.26 0.26 -0.69 0.00 0.00 174.62 174.11 2a5m s TRP 46 N -2.26 -0.15 -0.14 4.92 0.52 -0.26 -2.12 118.94 119.45 2a5m s TRP 46 Ca 0.33 0.27 -0.03 0.00 0.02 0.00 0.00 56.10 56.69 2a5m s TRP 46 Cb -0.07 0.06 -0.03 0.00 -1.15 0.00 0.00 33.47 32.29 2a5m s TRP 46 CO 0.22 -0.31 -0.04 0.00 0.02 0.00 0.00 176.95 176.84 2a5m s ALA 47 N -1.02 2.99 0.02 0.98 0.00 -0.04 0.40 121.76 125.09 2a5m s ALA 47 Ca -0.11 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.10 2a5m s ALA 47 Cb -0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 2a5m s ALA 47 CO 0.03 0.28 -0.24 0.14 0.00 0.00 0.00 175.76 175.97 2a5m s VAL 48 N 0.16 2.30 0.06 0.00 -7.23 -0.37 -0.88 120.40 114.45 2a5m s VAL 48 Ca -0.02 -1.25 0.09 0.00 -1.81 0.00 0.00 61.98 58.99 2a5m s VAL 48 Cb -0.14 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2a5m s VAL 48 CO 0.03 0.42 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.68 2a5m s TYR 49 N -0.78 2.22 0.32 2.82 1.51 -0.46 -1.62 117.35 121.37 2a5m s TYR 49 Ca 0.12 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2a5m s TYR 49 Cb -0.10 -1.31 0.56 0.00 -0.11 0.00 0.00 41.96 41.01 2a5m s TYR 49 CO 0.02 0.15 1.81 1.49 -1.11 0.00 0.00 175.55 177.91 2a5m h GLU 50 N 4.64 0.39 -5.91 -0.62 4.81 -1.30 -1.93 114.58 114.67 2a5m h GLU 50 Ca -0.46 -0.12 -0.52 0.00 -0.13 0.00 0.00 59.36 58.12 2a5m h GLU 50 Cb 1.15 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.33 2a5m h GLU 50 CO 0.43 0.56 -0.77 1.03 -0.73 0.00 0.00 179.01 179.53 2a5m s ARG 51 N -4.63 1.38 1.07 1.92 0.52 -0.65 -2.98 118.95 115.57 2a5m s ARG 51 Ca -0.06 -1.53 -0.16 0.00 -0.52 0.00 0.00 55.73 53.45 2a5m s ARG 51 Cb 0.15 -1.37 0.10 0.00 0.52 0.00 0.00 34.95 34.34 2a5m s ARG 51 CO 0.77 0.26 0.25 -0.35 0.02 0.00 0.00 175.30 176.25 2a5m n PRO 52 N -0.07 -1.26 -2.99 3.54 -0.04 -1.26 -2.76 135.00 130.16 2a5m n PRO 52 Ca -0.10 -0.34 -0.18 0.00 -0.04 0.00 0.00 63.50 62.84 2a5m n PRO 52 Cb 0.58 -1.81 0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.94 -5.30 -4.08 3.54 4.13 -0.98 -3.06 115.26 107.58 2a5m n ASN 53 Ca 0.03 -0.28 -0.29 0.00 1.68 0.00 0.00 54.58 55.72 2a5m n ASN 53 Cb 0.59 -4.08 -0.04 0.00 -1.54 0.00 0.00 39.78 34.70 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2a5m n PHE 54 N -4.33 -1.51 -4.41 3.10 3.72 -1.25 -4.96 117.46 107.83 2a5m n PHE 54 Ca -0.07 0.65 -0.21 0.00 -0.05 0.00 0.00 57.45 57.78 2a5m n PHE 54 Cb 0.58 -3.35 -0.10 0.00 -0.94 0.00 0.00 39.48 35.67 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 -4.30 2.74 0.00 4.37 0.01 -1.11 -5.04 113.70 110.37 2a5m s SER 55 Ca 0.04 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2a5m s SER 55 Cb -0.02 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2a5m s SER 55 CO 0.93 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.90 2a5m n GLY 56 N -0.54 -1.73 3.76 3.44 0.00 -1.26 -1.64 105.19 107.22 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 -1.58 0.00 0.00 0.00 173.32 171.74 2a5m s HIS 57 N 0.00 3.04 -0.05 1.61 5.65 -1.26 -4.69 115.29 119.60 2a5m s HIS 57 Ca 0.00 1.29 0.06 0.00 0.25 0.00 0.00 55.06 56.67 2a5m s HIS 57 Cb 0.00 -3.72 -0.02 0.00 -1.18 0.00 0.00 32.58 27.66 2a5m s HIS 57 CO 0.00 -2.10 -0.24 0.00 -0.65 0.00 0.00 174.74 171.76 2a5m s MET 58 N -1.31 2.43 -0.01 2.88 0.00 -1.26 -1.48 119.30 120.55 2a5m s MET 58 Ca 0.52 -0.88 0.03 0.00 0.00 0.00 0.00 55.69 55.36 2a5m s MET 58 Cb -0.40 -2.16 -0.01 0.00 0.00 0.00 0.00 34.83 32.26 2a5m s MET 58 CO 0.50 0.46 -0.10 0.71 0.00 0.00 0.00 175.02 176.59 2a5m s TYR 59 N -0.36 0.91 -0.15 3.16 2.02 -0.64 -3.76 117.35 118.54 2a5m s TYR 59 Ca 0.02 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 2a5m s TYR 59 Cb -0.12 -0.59 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 2a5m s TYR 59 CO 0.02 -0.01 0.28 0.42 -1.57 0.00 0.00 175.55 174.68 2a5m s ILE 60 N -0.27 5.31 -0.22 2.71 -1.09 -1.26 -1.23 121.20 125.14 2a5m s ILE 60 Ca 0.04 0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 2a5m s ILE 60 Cb -0.04 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 2a5m s ILE 60 CO -0.00 0.43 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.26 2a5m s LEU 61 N 0.21 2.60 0.87 2.97 1.43 0.16 -4.97 118.68 121.96 2a5m s LEU 61 Ca 0.16 -1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 2a5m s LEU 61 Cb -0.13 -1.34 0.11 0.00 0.03 0.00 0.00 46.19 44.86 2a5m s LEU 61 CO 0.04 -0.15 1.16 -2.16 0.23 0.00 0.00 176.35 175.47 2a5m s PRO 62 N 1.30 1.50 0.34 1.29 0.04 -1.26 -1.10 135.00 137.11 2a5m s PRO 62 Ca -0.03 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 60.96 2a5m s PRO 62 Cb -0.17 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 2a5m s PRO 62 CO -0.08 -1.94 1.05 0.00 0.04 0.00 0.00 177.00 176.08 2a5m n GLN 63 N -3.57 1.49 -3.07 4.56 0.00 -1.05 -4.84 117.38 110.90 2a5m n GLN 63 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 57.00 57.60 2a5m n GLN 63 Cb 0.60 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 1.13 -1.73 3.24 2.61 0.00 -0.40 -4.98 105.19 105.07 2a5m n GLY 64 Ca 0.09 -1.45 -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 -1.83 3.10 -0.41 1.61 2.12 -1.26 0.42 118.70 122.45 2a5m s GLU 65 Ca 0.00 -0.85 0.04 0.00 0.36 0.00 0.00 54.97 54.52 2a5m s GLU 65 Cb 0.00 -2.35 0.11 0.00 0.26 0.00 0.00 34.13 32.15 2a5m s GLU 65 CO 0.00 0.19 0.14 0.71 -0.54 0.00 0.00 175.26 175.76 2a5m s TYR 66 N 0.34 3.41 -1.63 5.30 1.51 -0.06 -4.97 117.35 121.25 2a5m s TYR 66 Ca -0.18 -3.01 0.13 0.00 -1.01 0.00 0.00 57.07 53.00 2a5m s TYR 66 Cb -0.18 -2.81 0.70 0.00 -0.11 0.00 0.00 41.96 39.56 2a5m s TYR 66 CO 0.08 -0.86 1.28 -0.35 -1.11 0.00 0.00 175.55 174.60 2a5m n PRO 67 N 3.80 0.27 -3.54 -1.71 -0.05 -1.26 -1.84 135.00 130.67 2a5m n PRO 67 Ca 0.04 0.11 -0.14 0.00 -0.05 0.00 0.00 63.50 63.46 2a5m n PRO 67 Cb 0.38 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.28 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 -2.37 1.08 0.26 0.54 2.02 -1.26 -1.45 118.70 117.52 2a5m s GLU 68 Ca 0.15 -0.19 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 2a5m s GLU 68 Cb 0.09 0.50 0.31 0.00 0.10 0.00 0.00 34.13 35.12 2a5m s GLU 68 CO 0.18 -0.40 1.92 0.10 0.02 0.00 0.00 175.26 177.08 2a5m h TYR 69 N 2.69 1.18 -0.02 1.61 -0.00 0.48 -1.46 116.97 121.45 2a5m h TYR 69 Ca -0.31 0.01 0.01 0.00 -0.00 0.00 0.00 58.73 58.44 2a5m h TYR 69 Cb 1.22 -0.39 -0.00 0.00 -0.00 0.00 0.00 36.73 37.55 2a5m h TYR 69 CO 0.34 0.77 0.03 1.96 -0.00 0.00 0.00 178.16 181.26 2a5m h GLN 70 N 1.25 0.00 0.00 0.10 4.20 -1.84 0.33 115.11 119.14 2a5m h GLN 70 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2a5m h GLN 70 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 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 -0.46 1.46 9.65 -1.65 -1.51 114.38 121.87 2a5m h ARG 71 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2a5m h ARG 71 Cb 0.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 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 -2.86 0.62 -1.72 2.20 -0.00 0.11 -4.93 117.44 110.84 2a5m n TRP 72 Ca 0.01 -0.45 -0.20 0.00 -0.00 0.00 0.00 57.50 56.86 2a5m n TRP 72 Cb 0.31 -0.01 -0.07 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 0.98 -1.45 -1.74 5.87 2.81 -0.57 -4.92 117.12 118.11 2a5m n MET 73 Ca 0.16 1.18 -0.40 0.00 -1.81 0.00 0.00 57.70 56.84 2a5m n MET 73 Cb 0.50 -5.59 0.02 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 -0.56 0.79 0.08 3.03 0.00 -0.87 -4.89 105.19 102.77 2a5m n GLY 74 Ca -0.21 0.13 -0.06 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 1.94 0.01 0.00 0.99 6.46 -1.91 -3.43 115.31 119.38 2a5m h LEU 75 Ca -0.50 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.23 2a5m h LEU 75 Cb 1.29 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2a5m h LEU 75 CO 0.59 0.91 0.03 -0.46 -0.62 0.00 0.00 178.44 178.89 2a5m n ASN 76 N -3.47 -0.42 -2.02 1.25 0.23 -1.26 -5.04 115.26 104.53 2a5m n ASN 76 Ca -0.00 -1.35 -0.15 0.00 -0.53 0.00 0.00 54.58 52.54 2a5m n ASN 76 Cb 0.86 0.72 0.21 0.00 -2.08 0.00 0.00 39.78 39.48 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 -1.39 4.02 -4.64 0.53 8.00 -1.26 -4.92 116.55 116.89 2a5m n ASP 77 Ca -0.01 -3.30 -0.38 0.00 0.71 0.00 0.00 54.79 51.81 2a5m n ASP 77 Cb 0.12 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 40.36 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2a5m s ARG 78 N -2.86 4.08 -0.10 -1.24 0.52 -1.26 -1.34 118.95 116.75 2a5m s ARG 78 Ca 0.50 0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.68 2a5m s ARG 78 Cb 0.42 -3.59 0.05 0.00 0.52 0.00 0.00 34.95 32.35 2a5m s ARG 78 CO 0.11 -0.12 0.20 -0.51 0.02 0.00 0.00 175.30 175.00 2a5m s LEU 79 N 1.58 -0.16 -0.01 2.53 1.43 -1.24 -4.30 118.68 118.51 2a5m s LEU 79 Ca 0.14 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.80 2a5m s LEU 79 Cb -0.15 0.46 -0.15 0.00 0.03 0.00 0.00 46.19 46.38 2a5m s LEU 79 CO 0.08 -0.24 0.33 0.61 0.23 0.00 0.00 176.35 177.36 2a5m n GLY 80 N 5.32 -0.29 3.37 -3.19 0.00 -0.73 -4.78 105.19 104.88 2a5m n GLY 80 Ca -0.05 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.74 -0.38 -0.01 1.61 1.04 -1.23 -2.50 113.70 109.49 2a5m s SER 81 Ca -0.01 0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.38 2a5m s SER 81 Cb 0.07 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2a5m s SER 81 CO 0.45 -0.75 0.15 0.00 0.98 0.00 0.00 173.24 174.07 2a5m s ARG 83 N -1.15 0.70 0.06 0.00 0.52 -0.06 -0.24 118.95 118.78 2a5m s ARG 83 Ca -0.12 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 2a5m s ARG 83 Cb -0.06 -0.68 -0.05 0.00 0.52 0.00 0.00 34.95 34.68 2a5m s ARG 83 CO 0.02 0.14 1.02 0.00 0.02 0.00 0.00 175.30 176.50 2a5m s ALA 84 N -0.05 3.24 -0.20 2.13 0.00 -1.26 -0.86 121.76 124.75 2a5m s ALA 84 Ca 0.01 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 2a5m s ALA 84 Cb -0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 2a5m s ALA 84 CO -0.00 -0.21 0.54 0.08 0.00 0.00 0.00 175.76 176.17 2a5m s VAL 85 N 0.63 5.09 -0.05 0.00 1.01 -0.90 -4.90 120.40 121.28 2a5m s VAL 85 Ca 0.52 0.99 -0.17 0.00 0.00 0.00 0.00 61.98 63.32 2a5m s VAL 85 Cb -0.24 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2a5m s VAL 85 CO 0.29 0.16 0.46 -1.00 0.00 0.00 0.00 175.10 175.01 2a5m s HIS 86 N 1.72 3.63 -0.10 5.22 3.76 -1.26 -4.21 115.29 124.05 2a5m s HIS 86 Ca 0.25 0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 56.03 2a5m s HIS 86 Cb -0.15 -2.44 -0.05 0.00 1.11 0.00 0.00 32.58 31.05 2a5m s HIS 86 CO 0.10 0.41 0.22 -0.51 -0.85 0.00 0.00 174.74 174.10 2a5m s LEU 87 N -0.25 4.37 -0.17 0.89 1.43 -1.26 -4.64 118.68 119.05 2a5m s LEU 87 Ca 0.25 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2a5m s LEU 87 Cb -0.16 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 2a5m s LEU 87 CO 0.12 0.33 -0.06 -0.44 0.23 0.00 0.00 176.35 176.54 2a5m s SER 88 N -0.73 4.47 0.00 2.29 0.01 -1.26 -5.06 113.70 113.42 2a5m s SER 88 Ca 0.16 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2a5m s SER 88 Cb -0.13 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.37 2a5m s SER 88 CO 0.06 0.11 0.00 -1.54 0.41 0.00 0.00 173.24 172.28 2a5m n SER 89 N 3.90 0.19 0.00 2.44 3.41 -1.26 -4.86 113.62 117.44 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 3.92 0.00 5.00 0.00 -1.26 -5.03 105.19 112.82 2a5m n GLY 90 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.68 3.11 -0.02 0.00 -1.26 -5.12 105.19 100.22 2a5m n GLY 91 Ca 0.00 0.79 -0.33 0.00 0.00 0.00 0.00 46.02 46.48 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 2.88 0.05 1.61 0.74 -1.26 -5.10 119.66 118.59 2a5m s GLN 92 Ca 0.00 -0.90 -0.30 0.00 0.05 0.00 0.00 55.36 54.20 2a5m s GLN 92 Cb 0.00 -2.62 -0.05 0.00 1.10 0.00 0.00 33.01 31.45 2a5m s GLN 92 CO 0.00 -0.26 1.09 0.00 -0.55 0.00 0.00 175.29 175.57 2a5m s ALA 93 N 1.26 3.29 -0.02 1.58 0.00 -1.26 -5.03 121.76 121.58 2a5m s ALA 93 Ca 0.03 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.74 2a5m s ALA 93 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2a5m s ALA 93 CO -0.12 -0.31 -0.12 0.21 0.00 0.00 0.00 175.76 175.43 2a5m s LYS 94 N 0.82 1.07 0.03 0.00 2.20 -1.26 -4.60 119.74 117.99 2a5m s LYS 94 Ca 0.54 -0.42 0.05 0.00 -0.36 0.00 0.00 55.97 55.78 2a5m s LYS 94 Cb -0.26 -1.01 -0.02 0.00 -1.51 0.00 0.00 37.83 35.03 2a5m s LYS 94 CO 0.29 0.23 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.85 2a5m s ILE 95 N -0.14 1.28 -0.06 5.43 2.07 -0.96 -3.76 121.20 125.05 2a5m s ILE 95 Ca 0.02 -0.95 0.05 0.00 -1.41 0.00 0.00 60.65 58.36 2a5m s ILE 95 Cb -0.06 -1.12 -0.00 0.00 0.13 0.00 0.00 42.46 41.40 2a5m s ILE 95 CO -0.00 0.15 -0.22 0.00 -1.91 0.00 0.00 174.94 172.96 2a5m s GLN 96 N -0.92 2.41 0.07 3.50 -2.07 -1.06 -1.89 119.66 119.69 2a5m s GLN 96 Ca 0.04 -0.79 0.08 0.00 -1.82 0.00 0.00 55.36 52.87 2a5m s GLN 96 Cb -0.07 -1.98 -0.03 0.00 -1.09 0.00 0.00 33.01 29.83 2a5m s GLN 96 CO 0.01 0.28 -0.22 0.14 -1.32 0.00 0.00 175.29 174.17 2a5m s VAL 97 N 0.06 1.78 0.01 3.63 -7.23 -0.30 -1.21 120.40 117.14 2a5m s VAL 97 Ca -0.08 -1.36 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 2a5m s VAL 97 Cb -0.14 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2a5m s VAL 97 CO 0.05 0.15 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.37 2a5m s PHE 98 N -0.91 2.26 0.40 2.82 0.40 -0.85 -1.61 117.98 120.48 2a5m s PHE 98 Ca 0.08 -0.42 0.13 0.00 -0.60 0.00 0.00 56.93 56.12 2a5m s PHE 98 Cb -0.09 -1.41 0.81 0.00 0.51 0.00 0.00 43.02 42.84 2a5m s PHE 98 CO 0.03 0.02 1.88 1.49 0.70 0.00 0.00 175.22 179.34 2a5m h GLU 99 N 5.23 0.00 -5.87 0.44 4.81 -1.15 -3.36 114.58 114.68 2a5m h GLU 99 Ca -0.44 -0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.20 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 0.46 0.31 -0.57 0.15 -0.73 0.00 0.00 179.01 178.62 2a5m s LYS 100 N -4.34 2.08 0.91 1.92 1.02 0.12 -4.43 119.74 117.02 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 0.15 -1.86 0.14 0.00 -0.52 0.00 0.00 37.83 35.74 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 -1.45 -3.33 0.00 -1.26 -3.01 107.32 96.13 2a5m s GLY 101 Ca 0.37 0.13 -0.10 0.00 0.00 0.00 0.00 44.72 45.12 2a5m s GLY 101 CO 0.20 0.60 0.98 1.34 0.00 0.00 0.00 173.10 176.22 2a5m n ASP 102 N -4.02 -5.67 -3.64 1.64 2.03 -0.63 -2.79 116.55 103.47 2a5m n ASP 102 Ca 0.08 -0.57 -0.26 0.00 0.52 0.00 0.00 54.79 54.56 2a5m n ASP 102 Cb 0.54 -4.51 0.04 0.00 -0.72 0.00 0.00 41.12 36.47 2a5m n ASP 102 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2a5m n PHE 103 N -4.75 -1.97 -4.37 -0.67 3.72 -1.24 -5.00 117.46 103.17 2a5m n PHE 103 Ca -0.00 0.63 -0.19 0.00 -0.05 0.00 0.00 57.45 57.84 2a5m n PHE 103 Cb 0.56 -3.79 -0.10 0.00 -0.94 0.00 0.00 39.48 35.20 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 -3.75 2.23 0.00 4.37 0.01 -1.12 -5.01 114.94 111.67 2a5m s ASN 104 Ca 0.32 -1.21 0.00 0.00 -0.71 0.00 0.00 52.86 51.25 2a5m s ASN 104 Cb -0.10 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.50 2a5m s ASN 104 CO 0.83 -0.45 0.00 0.61 -1.51 0.00 0.00 177.10 176.58 2a5m n GLY 105 N -0.50 -1.79 3.77 0.66 0.00 -1.26 0.16 105.19 106.24 2a5m n GLY 105 Ca -0.05 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 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 4.31 -0.00 1.61 2.00 -1.26 -4.68 119.66 121.64 2a5m s GLN 106 Ca 0.00 1.66 0.06 0.00 -2.00 0.00 0.00 55.36 55.08 2a5m s GLN 106 Cb 0.00 -2.78 -0.03 0.00 0.80 0.00 0.00 33.01 31.00 2a5m s GLN 106 CO 0.00 -0.05 -0.19 1.41 -0.50 0.00 0.00 175.29 175.96 2a5m s MET 107 N -2.11 2.20 -0.03 1.67 -2.45 -1.26 -1.23 119.30 116.09 2a5m s MET 107 Ca 0.53 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 54.11 2a5m s MET 107 Cb -0.27 -2.21 0.00 0.00 1.25 0.00 0.00 34.83 33.61 2a5m s MET 107 CO 0.34 0.57 -0.10 0.71 1.05 0.00 0.00 175.02 177.59 2a5m s TYR 108 N -0.79 1.03 -0.06 4.11 2.02 -0.63 -4.97 117.35 118.06 2a5m s TYR 108 Ca 0.13 -0.27 0.06 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 -0.12 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.65 2a5m s GLU 109 N 0.22 2.46 0.04 -0.62 2.12 -1.26 -1.15 118.70 120.51 2a5m s GLU 109 Ca -0.04 -0.87 -0.14 0.00 0.36 0.00 0.00 54.97 54.28 2a5m s GLU 109 Cb -0.09 -2.09 0.02 0.00 0.26 0.00 0.00 34.13 32.23 2a5m s GLU 109 CO 0.01 0.36 0.32 -0.08 -0.54 0.00 0.00 175.26 175.32 2a5m s THR 110 N -0.12 0.08 -0.87 -1.70 -1.32 -0.79 -5.00 115.64 105.91 2a5m s THR 110 Ca -0.04 -0.63 0.10 0.00 -1.21 0.00 0.00 61.69 59.91 2a5m s THR 110 Cb -0.14 -0.91 0.28 0.00 -1.51 0.00 0.00 72.50 70.23 2a5m s THR 110 CO 0.04 -0.35 1.23 0.35 -2.21 0.00 0.00 174.62 173.68 2a5m n THR 111 N 0.64 0.99 -4.48 5.08 -2.24 -1.26 -2.26 114.28 110.75 2a5m n THR 111 Ca -0.19 -0.99 -0.24 0.00 -2.27 0.00 0.00 64.05 60.36 2a5m n THR 111 Cb 0.59 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.67 0.71 -0.78 0.41 -1.26 -4.93 118.70 113.52 2a5m s GLU 112 Ca 0.21 -1.83 -0.14 0.00 -0.41 0.00 0.00 54.97 52.80 2a5m s GLU 112 Cb 0.11 -1.51 0.02 0.00 -1.78 0.00 0.00 34.13 30.98 2a5m s GLU 112 CO 0.15 0.15 1.13 0.16 -0.49 0.00 0.00 175.26 176.35 2a5m s ASP 113 N -3.52 4.72 -0.22 -0.19 1.47 -1.26 -4.93 116.67 112.74 2a5m s ASP 113 Ca 0.30 2.04 0.01 0.00 1.18 0.00 0.00 52.55 56.09 2a5m s ASP 113 Cb 0.01 -2.55 0.05 0.00 -0.34 0.00 0.00 42.92 40.09 2a5m s ASP 113 CO 0.14 -1.90 -0.09 0.00 0.68 0.00 0.00 175.17 174.01 2a5m h PRO 115 N 7.94 0.23 -2.96 0.00 0.13 -1.90 -2.37 132.00 133.09 2a5m h PRO 115 Ca -0.23 -0.27 -0.47 0.00 -0.87 0.00 0.00 66.00 64.15 2a5m h PRO 115 Cb 1.08 0.08 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 2a5m h PRO 115 CO 0.45 1.01 -0.75 0.45 -0.23 0.00 0.00 178.00 178.93 2a5m s SER 116 N -6.97 2.58 0.20 1.44 0.15 -1.26 -2.09 113.70 107.75 2a5m s SER 116 Ca -0.03 -0.76 -0.08 0.00 0.70 0.00 0.00 55.95 55.78 2a5m s SER 116 Cb 0.09 -0.23 0.13 0.00 -1.71 0.00 0.00 66.02 64.30 2a5m s SER 116 CO 0.84 -0.37 1.72 0.40 1.20 0.00 0.00 173.24 177.03 2a5m h ILE 117 N 6.41 1.26 -0.46 6.45 2.04 -1.31 -1.84 117.51 130.06 2a5m h ILE 117 Ca -0.16 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.63 2a5m h ILE 117 Cb 1.12 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2a5m h ILE 117 CO 0.33 0.38 -0.10 -0.03 0.00 0.00 0.00 178.15 178.72 2a5m h MET 118 N 1.08 0.82 -0.31 2.37 4.05 -1.81 0.37 114.93 121.52 2a5m h MET 118 Ca 0.23 -0.27 -0.17 0.00 -0.28 0.00 0.00 59.70 59.21 2a5m h MET 118 Cb 0.37 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2a5m h MET 118 CO 0.00 0.89 -0.46 1.49 0.23 0.00 0.00 176.91 179.06 2a5m h GLU 119 N 0.75 0.82 0.05 0.39 4.22 -1.85 0.85 114.58 119.80 2a5m h GLU 119 Ca 0.13 -0.47 -0.08 0.00 0.08 0.00 0.00 59.36 59.02 2a5m h GLU 119 Cb 0.59 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2a5m h GLU 119 CO 0.04 1.10 -0.35 0.37 -2.18 0.00 0.00 179.01 177.99 2a5m h GLN 120 N 0.65 0.10 -0.01 1.92 4.15 -1.09 -3.40 115.11 117.43 2a5m h GLN 120 Ca 0.04 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2a5m h GLN 120 Cb 1.04 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.80 2a5m h GLN 120 CO 0.10 1.08 -0.09 1.19 -1.93 0.00 0.00 178.83 179.19 2a5m n PHE 121 N -4.43 0.00 -2.80 3.99 3.72 0.13 -4.99 117.46 113.08 2a5m n PHE 121 Ca -0.13 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 2a5m n PHE 121 Cb 0.61 0.00 0.02 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 0.17 -1.57 -4.85 1.38 8.25 0.29 -4.96 115.22 113.94 2a5m n HIS 122 Ca 0.05 0.36 -0.33 0.00 -0.26 0.00 0.00 57.72 57.54 2a5m n HIS 122 Cb 0.22 -4.08 -0.14 0.00 1.12 0.00 0.00 29.99 27.11 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 -5.96 2.72 0.15 2.41 1.43 -1.25 -4.95 118.68 113.23 2a5m s LEU 123 Ca 0.21 -0.26 0.21 0.00 -1.03 0.00 0.00 54.13 53.26 2a5m s LEU 123 Cb -0.09 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 2a5m s LEU 123 CO 0.26 0.26 0.94 -2.11 0.23 0.00 0.00 176.35 175.93 2a5m n ARG 124 N 2.85 0.61 -3.91 1.70 1.85 -1.26 -3.48 116.66 115.02 2a5m n ARG 124 Ca -0.18 0.12 -0.09 0.00 -1.00 0.00 0.00 57.85 56.70 2a5m n ARG 124 Cb 0.52 -1.80 -0.07 0.00 -1.05 0.00 0.00 32.46 30.07 2a5m n ARG 124 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2a5m s GLU 125 N -3.27 1.10 -0.10 2.89 2.02 -1.26 -4.54 118.70 115.55 2a5m s GLU 125 Ca -0.02 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.88 2a5m s GLU 125 Cb 0.10 0.38 0.02 0.00 0.10 0.00 0.00 34.13 34.73 2a5m s GLU 125 CO 0.81 -0.40 -0.11 0.42 0.02 0.00 0.00 175.26 176.00 2a5m s ILE 126 N -3.94 1.16 -0.36 -1.63 -1.09 -0.77 -4.94 121.20 109.64 2a5m s ILE 126 Ca 0.14 -0.42 0.12 0.00 -2.23 0.00 0.00 60.65 58.26 2a5m s ILE 126 Cb 0.03 -1.11 -0.16 0.00 -1.58 0.00 0.00 42.46 39.64 2a5m s ILE 126 CO -0.03 0.38 0.42 1.41 -1.23 0.00 0.00 174.94 175.89 2a5m n HIS 127 N 4.43 0.00 -3.50 3.97 8.25 -1.26 -4.67 115.22 122.44 2a5m n HIS 127 Ca -0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.12 2a5m n HIS 127 Cb 0.51 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 -2.67 -0.62 -0.21 0.41 0.15 -1.26 -2.59 113.70 106.91 2a5m s SER 128 Ca 0.01 0.53 -0.28 0.00 0.70 0.00 0.00 55.95 56.92 2a5m s SER 128 Cb 0.09 0.54 0.12 0.00 -1.71 0.00 0.00 66.02 65.05 2a5m s SER 128 CO 0.51 -0.68 0.97 0.00 1.20 0.00 0.00 173.24 175.25 2a5m s LYS 130 N -0.45 1.61 -0.09 0.00 2.20 -0.35 -2.30 119.74 120.35 2a5m s LYS 130 Ca -0.00 -1.32 -0.00 0.00 -0.36 0.00 0.00 55.97 54.28 2a5m s LYS 130 Cb -0.03 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 2a5m s LYS 130 CO -0.01 -0.73 -0.07 0.54 -0.36 0.00 0.00 175.35 174.72 2a5m s VAL 131 N 1.22 3.67 -0.43 4.02 0.11 -1.25 -2.57 120.40 125.17 2a5m s VAL 131 Ca -0.00 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 2a5m s VAL 131 Cb -0.19 -2.53 0.13 0.00 -1.53 0.00 0.00 36.38 32.26 2a5m s VAL 131 CO -0.09 0.57 0.21 -0.69 -3.33 0.00 0.00 175.10 171.77 2a5m s VAL 132 N -0.43 1.71 0.03 2.04 1.01 -1.25 -3.70 120.40 119.81 2a5m s VAL 132 Ca 0.06 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 59.47 2a5m s VAL 132 Cb -0.12 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.05 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 3.68 0.00 0.00 2.72 2.13 -1.26 -4.55 120.64 123.35 2a5m n GLU 133 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2a5m n GLU 133 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.07 2a5m n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a5m n GLY 134 N 0.45 3.57 2.80 8.31 0.00 -1.26 -4.66 105.19 114.40 2a5m n GLY 134 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 1.10 0.03 2.61 -4.23 -1.26 -3.86 115.64 110.04 2a5m s THR 135 Ca 0.00 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2a5m s THR 135 Cb 0.00 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 2a5m s THR 135 CO 0.00 -0.49 -0.12 0.26 -0.54 0.00 0.00 174.62 173.73 2a5m s TRP 136 N 1.53 1.07 -0.07 3.99 0.52 -0.88 -2.03 118.94 123.07 2a5m s TRP 136 Ca 0.05 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.89 2a5m s TRP 136 Cb -0.18 -0.64 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 2a5m s TRP 136 CO -0.17 0.01 -0.23 0.42 0.02 0.00 0.00 176.95 177.00 2a5m s ILE 137 N -0.81 2.22 -0.05 2.03 1.01 -0.43 -0.27 121.20 124.89 2a5m s ILE 137 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2a5m s ILE 137 Cb -0.07 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2a5m s ILE 137 CO 0.01 0.57 -0.06 -0.36 0.00 0.00 0.00 174.94 175.09 2a5m s PHE 138 N -0.07 2.94 0.03 3.97 0.40 -0.03 -1.08 117.98 124.14 2a5m s PHE 138 Ca -0.06 0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.36 2a5m s PHE 138 Cb -0.14 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 2a5m s PHE 138 CO 0.05 0.36 -0.22 0.71 0.70 0.00 0.00 175.22 176.81 2a5m s TYR 139 N -0.88 1.97 0.23 0.36 2.02 0.20 -0.50 117.35 120.74 2a5m s TYR 139 Ca 0.14 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 2a5m s TYR 139 Cb -0.11 -1.20 0.22 0.00 -0.40 0.00 0.00 41.96 40.47 2a5m s TYR 139 CO 0.04 0.06 1.53 1.49 -1.57 0.00 0.00 175.55 177.10 2a5m h GLU 140 N 5.08 0.16 -6.47 -0.62 4.81 -1.33 -1.26 114.58 114.96 2a5m h GLU 140 Ca -0.43 -0.13 -0.63 0.00 -0.13 0.00 0.00 59.36 58.05 2a5m h GLU 140 Cb 1.15 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 2a5m h GLU 140 CO 0.45 0.77 -0.75 -0.51 -0.73 0.00 0.00 179.01 178.24 2a5m s LEU 141 N -7.73 2.83 1.11 1.64 1.43 -0.11 -3.36 118.68 114.50 2a5m s LEU 141 Ca -0.03 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.26 2a5m s LEU 141 Cb 0.12 -1.52 0.19 0.00 0.03 0.00 0.00 46.19 45.01 2a5m s LEU 141 CO 0.79 0.10 0.62 -0.81 0.23 0.00 0.00 176.35 177.28 2a5m n PRO 142 N 0.04 -1.77 -2.61 1.29 -0.04 -1.26 -2.48 135.00 128.17 2a5m n PRO 142 Ca -0.11 -0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 62.66 2a5m n PRO 142 Cb 0.56 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2a5m n PRO 142 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2a5m n ASN 143 N -3.39 -5.80 -3.48 3.54 3.02 -0.89 -2.87 115.26 105.38 2a5m n ASN 143 Ca 0.03 -0.09 -0.18 0.00 -0.03 0.00 0.00 54.58 54.31 2a5m n ASN 143 Cb 0.57 -4.79 0.07 0.00 -0.61 0.00 0.00 39.78 35.01 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2a5m n TYR 144 N -4.12 -2.15 -4.41 3.10 4.01 -1.23 -5.02 117.16 107.35 2a5m n TYR 144 Ca -0.20 0.88 -0.20 0.00 -0.16 0.00 0.00 57.90 58.22 2a5m n TYR 144 Cb 0.66 -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 1.51 0.92 -0.72 1.81 -1.04 -5.02 118.95 111.02 2a5m s ARG 145 Ca 0.09 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.32 2a5m s ARG 145 Cb -0.02 -1.01 0.00 0.00 -0.45 0.00 0.00 34.95 33.48 2a5m s ARG 145 CO 0.76 -0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.77 2a5m n GLY 146 N -0.56 -1.80 3.77 -3.53 0.00 -1.26 -0.93 105.19 100.88 2a5m n GLY 146 Ca -0.05 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 4.29 0.09 1.61 3.52 -1.26 -4.72 118.95 122.48 2a5m s ARG 147 Ca 0.00 2.03 0.07 0.00 -0.13 0.00 0.00 55.73 57.70 2a5m s ARG 147 Cb 0.00 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2a5m s ARG 147 CO 0.00 -0.18 -0.12 -0.65 -0.81 0.00 0.00 175.30 173.54 2a5m s GLN 148 N -1.90 2.10 -0.05 5.12 -0.21 -1.25 -1.56 119.66 121.91 2a5m s GLN 148 Ca 0.51 -1.02 0.04 0.00 0.02 0.00 0.00 55.36 54.92 2a5m s GLN 148 Cb -0.36 -2.28 -0.00 0.00 1.00 0.00 0.00 33.01 31.37 2a5m s GLN 148 CO 0.46 0.52 -0.19 0.71 -2.12 0.00 0.00 175.29 174.67 2a5m s TYR 149 N -1.15 1.90 -0.26 0.91 2.02 0.35 -4.66 117.35 116.46 2a5m s TYR 149 Ca 0.20 -0.59 -0.15 0.00 -0.37 0.00 0.00 57.07 56.16 2a5m s TYR 149 Cb -0.11 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 2a5m s TYR 149 CO 0.11 -0.21 0.35 -1.17 -1.57 0.00 0.00 175.55 173.07 2a5m s LEU 150 N 0.08 4.06 0.00 -1.29 2.96 -1.26 -0.85 118.68 122.38 2a5m s LEU 150 Ca -0.06 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 2a5m s LEU 150 Cb -0.13 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2a5m s LEU 150 CO 0.03 -0.15 0.21 -0.76 -1.32 0.00 0.00 176.35 174.36 2a5m s LEU 151 N 1.89 4.37 0.54 -0.68 1.02 0.62 -4.96 118.68 121.48 2a5m s LEU 151 Ca 0.15 0.39 0.05 0.00 0.02 0.00 0.00 54.13 54.74 2a5m s LEU 151 Cb -0.16 -2.67 0.03 0.00 0.02 0.00 0.00 46.19 43.42 2a5m s LEU 151 CO 0.09 0.25 0.37 -1.81 0.02 0.00 0.00 176.35 175.27 2a5m s ASP 152 N -1.94 4.59 0.00 2.29 1.11 -1.26 -2.06 116.67 119.40 2a5m s ASP 152 Ca 0.28 -1.27 0.00 0.00 0.18 0.00 0.00 52.55 51.74 2a5m s ASP 152 Cb -0.13 0.42 0.00 0.00 1.07 0.00 0.00 42.92 44.28 2a5m s ASP 152 CO 0.19 -1.08 1.15 2.29 1.18 0.00 0.00 175.17 178.90 2a5m n LYS 153 N -1.72 0.58 -3.63 8.23 2.85 -1.25 -4.60 118.16 118.62 2a5m n LYS 153 Ca -0.03 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.99 2a5m n LYS 153 Cb 0.64 -1.21 -0.00 0.00 -0.65 0.00 0.00 35.03 33.81 2a5m n LYS 153 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2a5m n LYS 154 N 1.69 0.77 -3.75 -1.58 5.02 -1.24 -4.75 118.16 114.31 2a5m n LYS 154 Ca 0.00 -3.10 -0.36 0.00 -2.02 0.00 0.00 58.31 52.83 2a5m n LYS 154 Cb 0.29 0.36 -0.13 0.00 -0.02 0.00 0.00 35.03 35.53 2a5m n LYS 154 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2a5m s GLU 155 N -4.01 3.66 -0.42 1.97 2.02 -1.26 -3.95 118.70 116.71 2a5m s GLU 155 Ca 0.27 -0.48 -0.16 0.00 0.02 0.00 0.00 54.97 54.62 2a5m s GLU 155 Cb -0.02 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.90 2a5m s GLU 155 CO 0.17 -0.19 0.38 0.71 0.02 0.00 0.00 175.26 176.35 2a5m s TYR 156 N 1.62 3.20 -0.10 1.61 2.02 -0.97 -4.92 117.35 119.80 2a5m s TYR 156 Ca 0.06 -0.46 0.16 0.00 -0.37 0.00 0.00 57.07 56.46 2a5m s TYR 156 Cb -0.15 -2.77 -0.21 0.00 -0.40 0.00 0.00 41.96 38.43 2a5m s TYR 156 CO 0.04 -0.65 0.57 0.54 -1.57 0.00 0.00 175.55 174.47 2a5m n ARG 157 N 5.42 0.64 -4.34 -0.62 3.00 -1.26 -2.08 116.66 117.42 2a5m n ARG 157 Ca -0.09 0.18 -0.24 0.00 -0.01 0.00 0.00 57.85 57.69 2a5m n ARG 157 Cb 0.47 -1.72 -0.12 0.00 0.00 0.00 0.00 32.46 31.09 2a5m n ARG 157 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2a5m s LYS 158 N -2.73 1.27 0.25 5.56 -0.14 -1.26 -1.60 119.74 121.10 2a5m s LYS 158 Ca -0.05 -1.32 -0.06 0.00 -1.36 0.00 0.00 55.97 53.18 2a5m s LYS 158 Cb 0.08 -1.52 0.28 0.00 -1.68 0.00 0.00 37.83 34.99 2a5m s LYS 158 CO 0.83 0.34 1.91 -1.00 -0.76 0.00 0.00 175.35 176.66 2a5m h PRO 159 N 3.65 1.26 0.00 -1.68 0.13 -1.82 -0.93 132.00 132.61 2a5m h PRO 159 Ca -0.46 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2a5m h PRO 159 Cb 1.19 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2a5m h PRO 159 CO 0.44 0.87 0.00 0.28 -0.23 0.00 0.00 178.00 179.36 2a5m h VAL 160 N 1.29 0.00 0.00 1.56 2.07 -1.91 -2.11 116.25 117.14 2a5m h VAL 160 Ca 0.34 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2a5m h VAL 160 Cb -0.08 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2a5m h VAL 160 CO -0.07 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.96 2a5m h ASP 161 N 0.00 0.00 -0.59 0.57 3.32 -1.47 -2.11 116.42 116.14 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a5m h ASP 161 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 174.85 2a5m n TRP 162 N -2.87 1.53 -0.75 4.55 2.14 -0.79 -4.92 117.44 116.33 2a5m n TRP 162 Ca -0.01 -0.65 0.00 0.00 2.07 0.00 0.00 57.50 58.91 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 0.88 0.62 3.86 -1.67 0.00 -0.79 -4.61 105.19 103.47 2a5m n GLY 163 Ca 0.25 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.81 -1.32 4.61 0.00 -1.25 -4.98 121.76 120.62 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 0.98 0.00 0.00 0.00 0.00 23.12 22.20 2a5m s ALA 164 CO 0.00 0.63 1.72 0.00 0.00 0.00 0.00 175.76 178.11 2a5m n ALA 165 N 1.90 2.92 -2.92 0.00 0.00 -1.26 -3.87 120.51 117.28 2a5m n ALA 165 Ca -0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 2a5m n ALA 165 Cb 0.55 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.75 0.26 0.00 0.00 1.04 -1.26 -5.00 113.70 106.00 2a5m s SER 166 Ca 0.20 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2a5m s SER 166 Cb 0.19 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2a5m s SER 166 CO 0.56 -0.32 0.63 -0.81 0.98 0.00 0.00 173.24 174.27 2a5m n PRO 167 N 1.49 0.80 -2.78 4.02 -0.04 -1.26 -4.81 135.00 132.41 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 0.55 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.57 3.57 -0.18 0.55 0.00 -1.26 -1.84 121.76 121.03 2a5m s ALA 168 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 2a5m s ALA 168 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.81 2a5m s ALA 168 CO 0.00 -0.82 0.41 0.42 0.00 0.00 0.00 175.76 175.77 2a5m s ILE 169 N 2.58 -0.32 -0.31 0.00 1.09 -1.26 -4.68 121.20 118.30 2a5m s ILE 169 Ca 0.41 0.13 0.08 0.00 -1.10 0.00 0.00 60.65 60.18 2a5m s ILE 169 Cb -0.16 -0.63 -0.10 0.00 -1.06 0.00 0.00 42.46 40.51 2a5m s ILE 169 CO 0.10 0.06 0.32 0.00 -0.10 0.00 0.00 174.94 175.32 2a5m n GLN 170 N 4.81 3.46 -3.53 2.79 3.00 -0.50 -4.54 117.38 122.87 2a5m n GLN 170 Ca -0.16 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.70 2a5m n GLN 170 Cb 0.52 -0.95 -0.04 0.00 0.00 0.00 0.00 30.24 29.77 2a5m n GLN 170 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2a5m s SER 171 N -2.02 -0.42 0.04 1.08 0.15 -1.04 -0.95 113.70 110.54 2a5m s SER 171 Ca 0.02 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.41 2a5m s SER 171 Cb 0.06 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 2a5m s SER 171 CO 0.34 -0.88 0.38 0.72 1.20 0.00 0.00 173.24 175.01 2a5m s PHE 172 N -3.52 -0.23 0.00 3.44 -0.12 -0.89 0.58 117.98 117.24 2a5m s PHE 172 Ca 0.01 0.20 -0.05 0.00 -0.05 0.00 0.00 56.93 57.04 2a5m s PHE 172 Cb 0.00 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.57 2a5m s PHE 172 CO -0.10 -0.54 0.08 1.03 -0.05 0.00 0.00 175.22 175.64 2a5m s ARG 173 N -2.34 0.38 0.15 1.99 0.52 -0.24 -1.75 118.95 117.65 2a5m s ARG 173 Ca -0.06 -0.37 -0.22 0.00 -0.52 0.00 0.00 55.73 54.56 2a5m s ARG 173 Cb -0.01 0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.53 2a5m s ARG 173 CO -0.02 -0.08 0.69 -0.98 0.02 0.00 0.00 175.30 174.93 2a5m s ARG 174 N -1.18 4.36 -0.15 3.54 1.70 -1.26 -1.32 118.95 124.63 2a5m s ARG 174 Ca -0.13 0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 55.92 2a5m s ARG 174 Cb -0.07 -3.16 -0.05 0.00 -0.57 0.00 0.00 34.95 31.10 2a5m s ARG 174 CO 0.01 0.55 0.34 0.42 -1.08 0.00 0.00 175.30 175.54 2a5m s ILE 175 N -1.23 5.28 0.03 4.99 1.01 -0.86 -4.94 121.20 125.48 2a5m s ILE 175 Ca 0.35 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.67 2a5m s ILE 175 Cb -0.20 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2a5m s ILE 175 CO 0.22 0.37 -0.07 0.68 0.00 0.00 0.00 174.94 176.15 2a5m s VAL 176 N 0.53 0.46 0.00 2.92 -7.23 -1.26 -4.85 120.40 110.98 2a5m s VAL 176 Ca 0.19 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2a5m s VAL 176 Cb -0.13 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.29 2a5m s VAL 176 CO 0.05 -0.29 0.00 -0.62 -0.31 0.00 0.00 175.10 173.93