#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 4.62 0.00 1.43 -0.14 -1.26 -5.00 119.74 119.39 2a5m s LYS 2 Ca 0.00 1.28 0.00 0.00 -1.36 0.00 0.00 55.97 55.89 2a5m s LYS 2 Cb 0.00 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.79 2a5m s LYS 2 CO 0.00 0.29 0.00 2.41 -0.76 0.00 0.00 175.35 177.29 2a5m n THR 3 N 2.62 0.00 0.00 2.17 -1.04 -1.26 -5.15 114.28 111.61 2a5m n THR 3 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a5m n THR 3 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 0.35 -0.72 3.79 3.41 0.00 -1.26 -5.15 105.19 105.61 2a5m n GLY 4 Ca 0.00 0.78 -0.36 0.00 0.00 0.00 0.00 46.02 46.44 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 2.67 -0.17 -0.02 0.00 -1.26 -4.67 107.32 103.87 2a5m s GLY 5 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 44.72 45.16 2a5m s GLY 5 CO 0.00 0.97 0.44 1.25 0.00 0.00 0.00 173.10 175.76 2a5m s LYS 6 N -2.55 0.49 -0.01 2.90 2.20 -0.61 -4.57 119.74 117.59 2a5m s LYS 6 Ca 0.57 0.67 0.04 0.00 -0.36 0.00 0.00 55.97 56.89 2a5m s LYS 6 Cb -0.18 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 2a5m s LYS 6 CO 0.23 -0.09 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.50 2a5m s ILE 7 N 0.54 1.04 -0.10 5.43 2.07 -0.75 -0.97 121.20 128.47 2a5m s ILE 7 Ca -0.02 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.67 2a5m s ILE 7 Cb -0.04 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.67 2a5m s ILE 7 CO -0.03 0.28 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.61 2a5m s SER 8 N -0.36 2.95 -0.09 4.50 0.01 0.87 -1.31 113.70 120.28 2a5m s SER 8 Ca 0.05 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 2a5m s SER 8 Cb -0.05 -1.34 -0.03 0.00 0.21 0.00 0.00 66.02 64.81 2a5m s SER 8 CO -0.00 0.15 -0.04 -0.36 0.41 0.00 0.00 173.24 173.40 2a5m s PHE 9 N 0.36 3.03 -0.03 2.43 0.40 -0.06 -0.05 117.98 124.06 2a5m s PHE 9 Ca -0.18 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.26 2a5m s PHE 9 Cb -0.18 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2a5m s PHE 9 CO 0.08 0.34 -0.23 0.71 0.70 0.00 0.00 175.22 176.82 2a5m s TYR 10 N -0.69 2.09 0.32 0.36 1.51 0.32 -1.03 117.35 120.24 2a5m s TYR 10 Ca 0.11 -0.48 0.18 0.00 -1.01 0.00 0.00 57.07 55.86 2a5m s TYR 10 Cb -0.11 -1.36 0.87 0.00 -0.11 0.00 0.00 41.96 41.24 2a5m s TYR 10 CO 0.02 -0.09 1.85 0.93 -1.11 0.00 0.00 175.55 177.15 2a5m h GLU 11 N 5.78 0.00 -5.85 -0.62 5.08 -1.37 0.55 114.58 118.15 2a5m h GLU 11 Ca -0.38 0.00 -0.58 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 0.32 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.78 2a5m s ASP 12 N -6.62 4.33 0.74 1.42 1.01 -0.49 -3.47 116.67 113.59 2a5m s ASP 12 Ca -0.02 -1.13 -0.11 0.00 0.71 0.00 0.00 52.55 52.00 2a5m s ASP 12 Cb 0.13 -0.45 0.03 0.00 1.01 0.00 0.00 42.92 43.64 2a5m s ASP 12 CO 0.68 -0.54 1.07 -0.13 0.21 0.00 0.00 175.17 176.47 2a5m s ARG 13 N -3.88 2.60 -1.38 8.23 0.52 -1.26 -3.57 118.95 120.22 2a5m s ARG 13 Ca 0.40 0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 56.42 2a5m s ARG 13 Cb 0.05 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.56 2a5m s ARG 13 CO 0.22 -1.31 0.51 -1.71 0.02 0.00 0.00 175.30 173.03 2a5m n ASN 14 N -3.26 -5.58 -4.04 0.23 2.85 0.15 -2.47 115.26 103.15 2a5m n ASN 14 Ca 0.07 -0.24 -0.31 0.00 -0.11 0.00 0.00 54.58 53.99 2a5m n ASN 14 Cb 0.54 -4.42 -0.01 0.00 1.24 0.00 0.00 39.78 37.14 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2a5m n PHE 15 N -4.35 -1.90 -3.94 1.20 1.16 -1.25 -4.97 117.46 103.41 2a5m n PHE 15 Ca -0.11 0.82 -0.22 0.00 -1.87 0.00 0.00 57.45 56.07 2a5m n PHE 15 Cb 0.61 -3.52 -0.05 0.00 -1.61 0.00 0.00 39.48 34.91 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 -6.70 2.50 0.66 3.97 -1.52 -1.03 -5.00 119.66 112.53 2a5m s GLN 16 Ca 0.51 -1.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.45 2a5m s GLN 16 Cb -0.27 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 2a5m s GLN 16 CO 0.88 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 176.39 2a5m n GLY 17 N -1.28 -1.87 3.77 3.09 0.00 -1.26 -1.40 105.19 106.24 2a5m n GLY 17 Ca -0.02 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 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 3.98 0.12 1.61 3.52 -1.26 -4.73 118.95 122.18 2a5m s ARG 18 Ca 0.00 1.93 0.10 0.00 -0.13 0.00 0.00 55.73 57.62 2a5m s ARG 18 Cb 0.00 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 2a5m s ARG 18 CO 0.00 -0.41 -0.24 0.50 -0.81 0.00 0.00 175.30 174.34 2a5m s ARG 19 N -2.33 1.28 -0.05 5.12 3.52 -1.26 -1.46 118.95 123.77 2a5m s ARG 19 Ca 0.58 -1.27 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2a5m s ARG 19 Cb -0.33 -1.68 0.02 0.00 -1.56 0.00 0.00 34.95 31.40 2a5m s ARG 19 CO 0.41 0.40 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.77 2a5m s TYR 20 N -1.11 0.90 -0.10 5.12 5.04 -0.20 -4.97 117.35 122.04 2a5m s TYR 20 Ca 0.11 -0.29 -0.00 0.00 -2.44 0.00 0.00 57.07 54.45 2a5m s TYR 20 Cb -0.10 -0.77 -0.03 0.00 0.35 0.00 0.00 41.96 41.41 2a5m s TYR 20 CO 0.05 -0.23 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.45 2a5m s ASP 21 N 0.98 4.53 -0.02 4.32 1.01 -1.26 -0.89 116.67 125.34 2a5m s ASP 21 Ca -0.10 -0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.09 2a5m s ASP 21 Cb -0.14 -1.36 -0.00 0.00 1.01 0.00 0.00 42.92 42.42 2a5m s ASP 21 CO 0.00 0.28 -0.12 0.00 0.21 0.00 0.00 175.17 175.54 2a5m n ASP 23 N 3.00 2.37 -3.44 0.00 2.03 -1.26 -1.81 116.55 117.43 2a5m n ASP 23 Ca -0.16 -2.10 -0.08 0.00 0.52 0.00 0.00 54.79 52.97 2a5m n ASP 23 Cb 0.55 -0.11 -0.00 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 -3.01 5.64 -0.13 0.00 -4.77 -1.26 -4.76 116.67 108.38 2a5m s ASP 25 Ca 0.15 2.78 -0.01 0.00 -3.30 0.00 0.00 52.55 52.17 2a5m s ASP 25 Cb -0.05 -2.64 0.03 0.00 -1.09 0.00 0.00 42.92 39.17 2a5m s ASP 25 CO 0.10 -1.32 -0.04 0.00 0.70 0.00 0.00 175.17 174.61 2a5m h ALA 27 N 8.21 0.73 -1.63 0.00 0.00 -1.88 -0.56 119.26 124.13 2a5m h ALA 27 Ca -0.24 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 2a5m h ALA 27 Cb 1.12 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.56 2a5m h ALA 27 CO 0.36 0.58 -0.50 -0.51 0.00 0.00 0.00 179.25 179.19 2a5m s ASP 28 N -6.44 0.06 0.00 0.00 1.11 -1.25 -3.85 116.67 106.30 2a5m s ASP 28 Ca 0.03 -0.14 0.21 0.00 0.18 0.00 0.00 52.55 52.83 2a5m s ASP 28 Cb 0.08 1.26 0.54 0.00 1.07 0.00 0.00 42.92 45.87 2a5m s ASP 28 CO 0.73 -0.33 1.46 2.22 1.18 0.00 0.00 175.17 180.43 2a5m n PHE 29 N 5.37 0.78 0.26 4.23 -1.74 -1.24 -4.51 117.46 120.60 2a5m n PHE 29 Ca 0.00 -0.42 0.14 0.00 -0.56 0.00 0.00 57.45 56.61 2a5m n PHE 29 Cb 0.50 -0.00 0.82 0.00 1.52 0.00 0.00 39.48 42.32 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 4.05 0.00 0.00 3.97 3.08 -1.84 -0.81 114.38 122.84 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 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 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 -2.01 -3.18 113.55 115.43 2a5m h SER 31 Ca 0.03 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2a5m h SER 31 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2a5m h SER 31 CO -0.00 0.00 -1.81 -1.22 -1.14 0.00 0.00 176.83 172.66 2a5m n TYR 32 N -2.67 0.00 -3.70 3.45 4.02 -0.41 -4.96 117.16 112.89 2a5m n TYR 32 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.81 2a5m n TYR 32 Cb 0.36 -0.45 -0.11 0.00 -0.02 0.00 0.00 39.34 39.11 2a5m n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2a5m s LEU 33 N -4.35 -0.05 0.00 7.72 2.96 -0.60 -4.90 118.68 119.46 2a5m s LEU 33 Ca -0.06 0.80 0.27 0.00 -0.22 0.00 0.00 54.13 54.92 2a5m s LEU 33 Cb 0.09 1.16 0.94 0.00 0.50 0.00 0.00 46.19 48.88 2a5m s LEU 33 CO 0.66 -0.19 1.71 -1.20 -1.32 0.00 0.00 176.35 176.01 2a5m n SER 34 N 4.45 0.28 -3.61 3.68 7.64 -1.26 -4.13 113.62 120.68 2a5m n SER 34 Ca -0.21 0.03 -0.04 0.00 1.01 0.00 0.00 58.87 59.66 2a5m n SER 34 Cb 0.54 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2a5m n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a5m s ARG 35 N -2.92 0.67 -0.14 1.43 1.70 -1.26 -5.00 118.95 113.43 2a5m s ARG 35 Ca 0.15 -0.31 -0.04 0.00 -0.47 0.00 0.00 55.73 55.06 2a5m s ARG 35 Cb 0.19 0.27 0.06 0.00 -0.57 0.00 0.00 34.95 34.89 2a5m s ARG 35 CO 0.59 -0.30 0.14 0.00 -1.08 0.00 0.00 175.30 174.65 2a5m n ASN 37 N 5.31 1.94 -3.64 0.00 5.03 0.14 -4.50 115.26 119.54 2a5m n ASN 37 Ca -0.05 -1.47 -0.13 0.00 0.87 0.00 0.00 54.58 53.79 2a5m n ASN 37 Cb 0.49 0.09 -0.06 0.00 -1.02 0.00 0.00 39.78 39.29 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2a5m s SER 38 N -1.18 -0.34 -0.03 6.41 0.15 -0.94 0.25 113.70 118.02 2a5m s SER 38 Ca 0.14 0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.82 2a5m s SER 38 Cb 0.11 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2a5m s SER 38 CO 0.19 -0.65 0.18 -0.63 1.20 0.00 0.00 173.24 173.54 2a5m s ILE 39 N -2.23 0.05 -0.11 6.45 1.01 -0.78 -0.52 121.20 125.06 2a5m s ILE 39 Ca -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2a5m s ILE 39 Cb -0.01 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.06 2a5m s ILE 39 CO -0.00 -0.24 -0.16 -0.60 0.00 0.00 0.00 174.94 173.94 2a5m s ARG 40 N -0.89 2.32 -0.34 2.79 3.52 0.93 -0.77 118.95 126.51 2a5m s ARG 40 Ca -0.10 -0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 54.80 2a5m s ARG 40 Cb -0.05 -1.96 0.01 0.00 -1.56 0.00 0.00 34.95 31.38 2a5m s ARG 40 CO 0.02 -0.06 0.18 0.08 -0.81 0.00 0.00 175.30 174.71 2a5m s VAL 41 N 0.98 4.64 0.03 7.11 1.01 0.12 -0.09 120.40 134.20 2a5m s VAL 41 Ca -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2a5m s VAL 41 Cb -0.15 -3.46 -0.27 0.00 0.00 0.00 0.00 36.38 32.50 2a5m s VAL 41 CO -0.02 -0.07 0.97 -0.08 0.00 0.00 0.00 175.10 175.90 2a5m h GLU 42 N 8.40 0.21 -1.89 2.72 4.57 -1.30 -2.51 114.58 124.79 2a5m h GLU 42 Ca -0.29 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.51 2a5m h GLU 42 Cb 1.13 0.13 -0.20 0.00 -0.16 0.00 0.00 28.75 29.65 2a5m h GLU 42 CO 0.64 1.09 0.28 0.20 -1.18 0.00 0.00 179.01 180.03 2a5m s GLY 43 N -4.85 -0.50 0.00 1.92 0.00 -1.14 -4.87 107.32 97.88 2a5m s GLY 43 Ca -0.06 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.18 2a5m s GLY 43 CO 0.86 1.01 0.00 0.61 0.00 0.00 0.00 173.10 175.58 2a5m n GLY 44 N 0.93 -1.19 3.30 0.20 0.00 -1.26 -1.58 105.19 105.60 2a5m n GLY 44 Ca -0.17 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 2a5m n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5m s THR 45 N -1.64 2.22 0.15 2.61 2.01 -1.26 -3.09 115.64 116.65 2a5m s THR 45 Ca 0.00 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.08 2a5m s THR 45 Cb 0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2a5m s THR 45 CO 0.00 0.57 -0.20 0.26 -0.69 0.00 0.00 174.62 174.56 2a5m s TRP 46 N -0.19 1.92 -0.13 4.92 0.52 -0.52 0.10 118.94 125.56 2a5m s TRP 46 Ca -0.02 -0.43 -0.03 0.00 0.02 0.00 0.00 56.10 55.64 2a5m s TRP 46 Cb -0.14 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 2a5m s TRP 46 CO 0.03 0.33 -0.03 0.00 0.02 0.00 0.00 176.95 177.30 2a5m s ALA 47 N -1.74 3.05 0.01 0.98 0.00 -0.05 0.32 121.76 124.33 2a5m s ALA 47 Ca 0.14 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2a5m s ALA 47 Cb -0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2a5m s ALA 47 CO 0.07 0.34 -0.23 0.14 0.00 0.00 0.00 175.76 176.07 2a5m s VAL 48 N -0.04 2.34 0.07 0.00 -7.23 -0.27 -1.17 120.40 114.10 2a5m s VAL 48 Ca 0.02 -1.19 0.09 0.00 -1.81 0.00 0.00 61.98 59.09 2a5m s VAL 48 Cb -0.13 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2a5m s VAL 48 CO 0.03 0.45 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.71 2a5m s TYR 49 N -0.76 2.21 0.28 2.82 1.51 -0.45 -1.50 117.35 121.45 2a5m s TYR 49 Ca 0.12 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2a5m s TYR 49 Cb -0.10 -1.28 0.40 0.00 -0.11 0.00 0.00 41.96 40.87 2a5m s TYR 49 CO 0.01 0.18 1.75 1.49 -1.11 0.00 0.00 175.55 177.88 2a5m h GLU 50 N 4.51 0.62 -5.95 -0.62 4.57 -1.30 -1.44 114.58 114.97 2a5m h GLU 50 Ca -0.47 -0.19 -0.54 0.00 -1.18 0.00 0.00 59.36 56.98 2a5m h GLU 50 Cb 1.15 -0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.53 2a5m h GLU 50 CO 0.42 0.72 -0.76 1.03 -1.18 0.00 0.00 179.01 179.25 2a5m s ARG 51 N -4.76 1.45 1.12 1.92 3.00 -0.82 -2.62 118.95 118.24 2a5m s ARG 51 Ca -0.08 -1.61 -0.16 0.00 0.00 0.00 0.00 55.73 53.88 2a5m s ARG 51 Cb 0.14 -1.45 0.16 0.00 0.00 0.00 0.00 34.95 33.81 2a5m s ARG 51 CO 0.80 0.27 0.39 -0.35 0.00 0.00 0.00 175.30 176.41 2a5m n PRO 52 N -0.27 -1.75 -3.16 3.54 -0.04 -1.26 -2.93 135.00 129.12 2a5m n PRO 52 Ca -0.08 -0.49 -0.20 0.00 -0.04 0.00 0.00 63.50 62.69 2a5m n PRO 52 Cb 0.59 -1.88 0.05 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.77 -5.67 -4.06 3.54 5.15 -1.25 -3.06 115.26 107.13 2a5m n ASN 53 Ca 0.02 -0.35 -0.30 0.00 -0.60 0.00 0.00 54.58 53.35 2a5m n ASN 53 Cb 0.59 -4.40 -0.04 0.00 -0.53 0.00 0.00 39.78 35.40 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2a5m n PHE 54 N -4.50 -1.51 -4.40 1.20 3.72 -1.25 -4.96 117.46 105.76 2a5m n PHE 54 Ca -0.05 0.59 -0.20 0.00 -0.05 0.00 0.00 57.45 57.74 2a5m n PHE 54 Cb 0.58 -3.29 -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 0.45 -0.05 0.00 0.00 176.76 177.16 2a5m s SER 55 N -4.20 2.60 0.00 4.37 0.15 -1.15 -5.05 113.70 110.42 2a5m s SER 55 Ca 0.10 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2a5m s SER 55 Cb -0.05 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2a5m s SER 55 CO 0.93 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.64 2a5m n GLY 56 N -0.53 -1.70 3.76 9.45 0.00 -1.26 -1.94 105.19 112.97 2a5m n GLY 56 Ca -0.06 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2a5m n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a5m s HIS 57 N 0.00 3.05 -0.04 1.61 3.76 -1.26 -4.70 115.29 117.71 2a5m s HIS 57 Ca 0.00 1.24 0.06 0.00 -0.15 0.00 0.00 55.06 56.22 2a5m s HIS 57 Cb 0.00 -3.73 -0.02 0.00 1.11 0.00 0.00 32.58 29.94 2a5m s HIS 57 CO 0.00 -2.19 -0.24 0.00 -0.85 0.00 0.00 174.74 171.46 2a5m s MET 58 N -1.10 2.39 -0.01 1.40 0.00 -1.26 -1.51 119.30 119.22 2a5m s MET 58 Ca 0.54 -0.89 0.03 0.00 0.00 0.00 0.00 55.69 55.37 2a5m s MET 58 Cb -0.40 -2.15 -0.00 0.00 0.00 0.00 0.00 34.83 32.27 2a5m s MET 58 CO 0.48 0.47 -0.10 0.71 0.00 0.00 0.00 175.02 176.59 2a5m s TYR 59 N -0.39 0.91 -0.14 3.16 2.02 -0.57 -3.64 117.35 118.70 2a5m s TYR 59 Ca 0.03 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 2a5m s TYR 59 Cb -0.12 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2a5m s TYR 59 CO 0.02 -0.04 0.29 0.42 -1.57 0.00 0.00 175.55 174.67 2a5m s ILE 60 N -0.12 5.29 -0.25 2.71 -1.09 -1.26 -1.11 121.20 125.36 2a5m s ILE 60 Ca 0.02 0.55 0.02 0.00 -2.23 0.00 0.00 60.65 59.01 2a5m s ILE 60 Cb -0.05 -3.62 0.06 0.00 -1.58 0.00 0.00 42.46 37.27 2a5m s ILE 60 CO -0.00 0.43 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.28 2a5m s LEU 61 N 0.16 3.21 0.92 2.97 1.43 0.15 -4.97 118.68 122.54 2a5m s LEU 61 Ca 0.17 -1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 51.81 2a5m s LEU 61 Cb -0.13 -1.45 0.14 0.00 0.03 0.00 0.00 46.19 44.78 2a5m s LEU 61 CO 0.05 -0.20 1.15 -2.16 0.23 0.00 0.00 176.35 175.42 2a5m s PRO 62 N 1.18 1.05 0.27 1.29 0.04 -1.26 -1.44 135.00 136.13 2a5m s PRO 62 Ca -0.08 0.23 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 2a5m s PRO 62 Cb -0.20 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 2a5m s PRO 62 CO -0.05 -2.25 1.09 0.94 0.04 0.00 0.00 177.00 176.77 2a5m n GLN 63 N -3.79 1.44 -3.21 4.56 -0.06 -1.18 -4.85 117.38 110.29 2a5m n GLN 63 Ca 0.07 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 2a5m n GLN 63 Cb 0.59 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2a5m n GLY 64 N 1.38 -2.07 3.25 1.69 0.00 -0.94 -4.99 105.19 103.52 2a5m n GLY 64 Ca 0.10 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.82 3.03 -0.44 1.61 2.12 -1.26 0.12 118.70 122.07 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 -2.33 0.12 0.00 0.26 0.00 0.00 34.13 32.17 2a5m s GLU 65 CO 0.00 0.22 0.17 0.71 -0.54 0.00 0.00 175.26 175.82 2a5m s TYR 66 N 0.26 3.31 -1.55 5.30 1.51 0.05 -4.97 117.35 121.26 2a5m s TYR 66 Ca -0.15 -3.03 0.11 0.00 -1.01 0.00 0.00 57.07 52.99 2a5m s TYR 66 Cb -0.17 -2.78 0.57 0.00 -0.11 0.00 0.00 41.96 39.47 2a5m s TYR 66 CO 0.08 -0.83 1.21 -0.35 -1.11 0.00 0.00 175.55 174.55 2a5m n PRO 67 N 3.64 0.20 -3.61 -1.71 -0.05 -1.26 -1.87 135.00 130.33 2a5m n PRO 67 Ca 0.05 0.14 -0.14 0.00 -0.05 0.00 0.00 63.50 63.50 2a5m n PRO 67 Cb 0.36 -1.50 -0.06 0.00 -0.05 0.00 0.00 33.50 32.26 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 -2.45 0.98 0.27 0.54 2.02 -1.26 0.34 118.70 119.14 2a5m s GLU 68 Ca 0.12 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 2a5m s GLU 68 Cb 0.07 0.44 0.35 0.00 0.10 0.00 0.00 34.13 35.09 2a5m s GLU 68 CO 0.16 -0.34 1.91 0.10 0.02 0.00 0.00 175.26 177.10 2a5m h TYR 69 N 2.91 1.10 0.00 1.61 -0.00 -0.49 -1.44 116.97 120.66 2a5m h TYR 69 Ca -0.31 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.41 2a5m h TYR 69 Cb 1.21 -0.36 -0.00 0.00 -0.00 0.00 0.00 36.73 37.58 2a5m h TYR 69 CO 0.39 0.74 -0.01 1.96 -0.00 0.00 0.00 178.16 181.24 2a5m h GLN 70 N 1.14 0.00 0.00 0.10 1.08 -1.85 0.25 115.11 115.83 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 -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2a5m h GLN 70 CO -0.05 0.01 0.00 -0.09 -0.95 0.00 0.00 178.83 177.75 2a5m h ARG 71 N 0.00 0.00 -0.50 1.46 9.65 -1.64 -0.88 114.38 122.47 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 -2.79 0.67 -1.74 2.20 -0.00 0.84 -4.93 117.44 111.69 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 0.28 -0.02 -0.07 0.00 -0.00 0.00 0.00 31.31 31.49 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 -1.50 -1.76 5.87 2.81 -0.34 -4.91 117.12 118.24 2a5m n MET 73 Ca 0.17 1.15 -0.39 0.00 -1.81 0.00 0.00 57.70 56.81 2a5m n MET 73 Cb 0.51 -5.58 0.03 0.00 -0.71 0.00 0.00 33.22 27.47 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 0.92 0.08 3.03 0.00 -0.85 -4.89 105.19 102.98 2a5m n GLY 74 Ca -0.21 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 1.87 0.00 0.00 0.99 5.85 -1.91 -3.43 115.31 118.69 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 1.29 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2a5m h LEU 75 CO 0.59 0.92 0.02 -0.46 -0.34 0.00 0.00 178.44 179.17 2a5m n ASN 76 N -3.45 -0.25 -2.06 1.25 2.04 -1.26 -5.04 115.26 106.49 2a5m n ASN 76 Ca -0.00 -1.20 -0.17 0.00 -0.44 0.00 0.00 54.58 52.77 2a5m n ASN 76 Cb 0.87 0.43 0.20 0.00 -2.53 0.00 0.00 39.78 38.75 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 2a5m n ASP 77 N -1.24 3.97 -4.63 0.53 5.75 -1.26 -4.92 116.55 114.73 2a5m n ASP 77 Ca -0.01 -3.36 -0.38 0.00 -0.01 0.00 0.00 54.79 51.03 2a5m n ASP 77 Cb 0.07 -0.79 -0.09 0.00 -1.03 0.00 0.00 41.12 39.28 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2a5m s ARG 78 N -2.94 4.06 -0.07 0.11 1.81 -1.26 -2.19 118.95 118.47 2a5m s ARG 78 Ca 0.52 -0.09 -0.03 0.00 -1.72 0.00 0.00 55.73 54.41 2a5m s ARG 78 Cb 0.43 -3.59 0.04 0.00 -0.45 0.00 0.00 34.95 31.38 2a5m s ARG 78 CO 0.11 -0.10 0.12 -0.51 -0.68 0.00 0.00 175.30 174.25 2a5m s LEU 79 N 1.51 0.16 -0.02 2.53 1.43 -1.25 -4.36 118.68 118.69 2a5m s LEU 79 Ca 0.12 0.25 0.14 0.00 -1.03 0.00 0.00 54.13 53.60 2a5m s LEU 79 Cb -0.15 0.16 -0.20 0.00 0.03 0.00 0.00 46.19 46.03 2a5m s LEU 79 CO 0.08 -0.23 0.35 0.61 0.23 0.00 0.00 176.35 177.39 2a5m n GLY 80 N 5.09 -0.56 3.38 -3.19 0.00 -0.54 -4.87 105.19 104.51 2a5m n GLY 80 Ca -0.09 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.33 -0.42 -0.01 1.61 0.15 -1.23 -3.69 113.70 106.78 2a5m s SER 81 Ca -0.03 0.09 -0.06 0.00 0.70 0.00 0.00 55.95 56.64 2a5m s SER 81 Cb 0.09 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2a5m s SER 81 CO 0.57 -0.75 0.13 0.00 1.20 0.00 0.00 173.24 174.38 2a5m s ARG 83 N -1.05 0.53 0.13 0.00 0.52 -0.32 -0.59 118.95 118.17 2a5m s ARG 83 Ca -0.11 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 2a5m s ARG 83 Cb -0.06 -0.51 -0.06 0.00 0.52 0.00 0.00 34.95 34.84 2a5m s ARG 83 CO 0.01 0.14 1.00 0.00 0.02 0.00 0.00 175.30 176.47 2a5m s ALA 84 N -0.18 3.28 -0.22 2.13 0.00 -1.26 -0.88 121.76 124.63 2a5m s ALA 84 Ca 0.02 0.65 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 2a5m s ALA 84 Cb -0.03 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2a5m s ALA 84 CO -0.00 -0.08 0.46 0.08 0.00 0.00 0.00 175.76 176.22 2a5m s VAL 85 N -0.06 5.14 -0.01 0.00 1.01 0.28 -4.89 120.40 121.87 2a5m s VAL 85 Ca 0.48 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 2a5m s VAL 85 Cb -0.25 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2a5m s VAL 85 CO 0.31 0.18 0.53 -1.00 0.00 0.00 0.00 175.10 175.12 2a5m s HIS 86 N 1.73 3.69 -0.13 5.22 3.76 -1.26 -4.04 115.29 124.25 2a5m s HIS 86 Ca 0.21 1.11 -0.08 0.00 -0.15 0.00 0.00 55.06 56.14 2a5m s HIS 86 Cb -0.15 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 2a5m s HIS 86 CO 0.09 0.43 0.16 -0.51 -0.85 0.00 0.00 174.74 174.06 2a5m s LEU 87 N -0.42 4.35 -0.17 0.89 1.43 -1.26 -4.64 118.68 118.85 2a5m s LEU 87 Ca 0.28 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2a5m s LEU 87 Cb -0.18 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2a5m s LEU 87 CO 0.15 0.34 -0.08 -0.44 0.23 0.00 0.00 176.35 176.56 2a5m s SER 88 N -0.65 4.30 0.00 2.29 0.01 -1.26 -5.06 113.70 113.33 2a5m s SER 88 Ca 0.14 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2a5m s SER 88 Cb -0.12 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.41 2a5m s SER 88 CO 0.03 0.10 0.00 -1.54 0.41 0.00 0.00 173.24 172.24 2a5m n SER 89 N 3.99 0.16 0.00 2.44 3.41 -1.26 -4.83 113.62 117.53 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 3.96 0.00 5.00 0.00 -1.26 -5.04 105.19 112.86 2a5m n GLY 90 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.71 3.10 -0.02 0.00 -1.26 -5.12 105.19 100.18 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 2.83 0.01 1.61 0.74 -1.26 -5.10 119.66 118.49 2a5m s GLN 92 Ca 0.00 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.31 2a5m s GLN 92 Cb 0.00 -2.50 -0.04 0.00 1.10 0.00 0.00 33.01 31.58 2a5m s GLN 92 CO 0.00 -0.23 1.05 0.00 -0.55 0.00 0.00 175.29 175.56 2a5m s ALA 93 N 1.32 3.25 0.00 1.58 0.00 -1.26 -5.04 121.76 121.61 2a5m s ALA 93 Ca 0.04 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.66 2a5m s ALA 93 Cb -0.13 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2a5m s ALA 93 CO -0.12 -0.33 -0.12 0.21 0.00 0.00 0.00 175.76 175.40 2a5m s LYS 94 N 1.12 0.94 0.03 0.00 2.20 -1.26 -4.64 119.74 118.14 2a5m s LYS 94 Ca 0.54 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.71 2a5m s LYS 94 Cb -0.23 -0.91 -0.02 0.00 -1.51 0.00 0.00 37.83 35.15 2a5m s LYS 94 CO 0.28 0.25 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.87 2a5m s ILE 95 N -0.39 1.13 -0.06 5.43 2.07 -0.91 -3.72 121.20 124.74 2a5m s ILE 95 Ca 0.04 -0.94 0.05 0.00 -1.41 0.00 0.00 60.65 58.39 2a5m s ILE 95 Cb -0.05 -1.01 -0.01 0.00 0.13 0.00 0.00 42.46 41.52 2a5m s ILE 95 CO -0.00 0.06 -0.23 0.00 -1.91 0.00 0.00 174.94 172.86 2a5m s GLN 96 N -1.02 2.40 0.07 3.50 0.00 -1.09 -1.81 119.66 121.72 2a5m s GLN 96 Ca 0.02 -0.81 0.08 0.00 -0.00 0.00 0.00 55.36 54.65 2a5m s GLN 96 Cb -0.07 -2.01 -0.03 0.00 0.00 0.00 0.00 33.01 30.90 2a5m s GLN 96 CO 0.01 0.31 -0.22 0.14 0.00 0.00 0.00 175.29 175.53 2a5m s VAL 97 N -0.02 1.76 0.00 3.63 -7.23 -0.28 -1.33 120.40 116.94 2a5m s VAL 97 Ca -0.06 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 2a5m s VAL 97 Cb -0.14 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 2a5m s VAL 97 CO 0.04 0.14 -0.26 -0.36 -0.31 0.00 0.00 175.10 174.35 2a5m s PHE 98 N -0.92 2.30 0.39 2.82 0.40 -0.80 -1.58 117.98 120.60 2a5m s PHE 98 Ca 0.08 -0.43 0.13 0.00 -0.60 0.00 0.00 56.93 56.11 2a5m s PHE 98 Cb -0.09 -1.44 0.79 0.00 0.51 0.00 0.00 43.02 42.78 2a5m s PHE 98 CO 0.03 0.02 1.87 1.49 0.70 0.00 0.00 175.22 179.33 2a5m h GLU 99 N 5.23 0.01 -5.88 0.44 4.81 -1.18 -3.32 114.58 114.69 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 -0.10 0.00 0.63 0.00 0.00 28.75 30.40 2a5m h GLU 99 CO 0.46 0.33 -0.57 0.15 -0.73 0.00 0.00 179.01 178.64 2a5m s LYS 100 N -4.31 2.10 0.92 1.92 1.02 0.10 -4.35 119.74 117.14 2a5m s LYS 100 Ca -0.03 -1.88 -0.11 0.00 0.02 0.00 0.00 55.97 53.97 2a5m s LYS 100 Cb 0.15 -1.87 0.14 0.00 -0.52 0.00 0.00 37.83 35.73 2a5m s LYS 100 CO 0.72 -0.01 1.09 0.20 -0.92 0.00 0.00 175.35 176.43 2a5m s GLY 101 N -3.78 1.63 -1.45 -3.33 0.00 -1.26 -3.05 107.32 96.06 2a5m s GLY 101 Ca 0.37 0.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.07 2a5m s GLY 101 CO 0.20 0.57 1.00 1.22 0.00 0.00 0.00 173.10 176.10 2a5m n ASP 102 N -4.05 -5.58 -3.69 1.64 8.00 -0.40 -2.72 116.55 109.76 2a5m n ASP 102 Ca 0.07 -0.61 -0.27 0.00 0.71 0.00 0.00 54.79 54.70 2a5m n ASP 102 Cb 0.54 -4.43 0.03 0.00 -0.02 0.00 0.00 41.12 37.24 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 -4.77 -1.92 -4.38 1.24 3.72 -1.24 -5.00 117.46 105.10 2a5m n PHE 103 Ca 0.01 0.62 -0.19 0.00 -0.05 0.00 0.00 57.45 57.84 2a5m n PHE 103 Cb 0.55 -3.75 -0.10 0.00 -0.94 0.00 0.00 39.48 35.24 2a5m n PHE 103 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2a5m s ASN 104 N -3.79 2.28 0.00 4.37 2.47 -1.10 -5.01 114.94 114.15 2a5m s ASN 104 Ca 0.30 -1.22 0.00 0.00 0.42 0.00 0.00 52.86 52.36 2a5m s ASN 104 Cb -0.10 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.63 2a5m s ASN 104 CO 0.84 -0.45 0.00 0.61 -3.72 0.00 0.00 177.10 174.38 2a5m n GLY 105 N -0.51 -1.79 3.77 1.21 0.00 -1.26 0.01 105.19 106.62 2a5m n GLY 105 Ca -0.05 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 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 4.27 -0.01 1.61 2.00 -1.26 -4.69 119.66 121.59 2a5m s GLN 106 Ca 0.00 1.61 0.06 0.00 -2.00 0.00 0.00 55.36 55.03 2a5m s GLN 106 Cb 0.00 -2.72 -0.03 0.00 0.80 0.00 0.00 33.01 31.07 2a5m s GLN 106 CO 0.00 -0.07 -0.19 1.41 -0.50 0.00 0.00 175.29 175.95 2a5m s MET 107 N -2.21 2.24 -0.03 1.67 -2.45 -1.26 -1.27 119.30 115.99 2a5m s MET 107 Ca 0.54 -0.86 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 2a5m s MET 107 Cb -0.25 -2.22 0.00 0.00 1.25 0.00 0.00 34.83 33.61 2a5m s MET 107 CO 0.32 0.58 -0.10 0.71 1.05 0.00 0.00 175.02 177.58 2a5m s TYR 108 N -0.76 1.02 -0.06 4.11 2.02 -0.61 -4.97 117.35 118.09 2a5m s TYR 108 Ca 0.12 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 2a5m s TYR 108 Cb -0.10 -0.72 -0.01 0.00 -0.40 0.00 0.00 41.96 40.72 2a5m s TYR 108 CO 0.02 -0.11 -0.23 -2.00 -1.57 0.00 0.00 175.55 171.66 2a5m s GLU 109 N 0.18 2.64 0.00 -0.62 -6.30 -1.26 -1.13 118.70 112.21 2a5m s GLU 109 Ca -0.03 -0.87 -0.14 0.00 -2.50 0.00 0.00 54.97 51.43 2a5m s GLU 109 Cb -0.09 -2.23 0.02 0.00 0.00 0.00 0.00 34.13 31.84 2a5m s GLU 109 CO 0.01 0.38 0.31 -0.08 0.02 0.00 0.00 175.26 175.90 2a5m s THR 110 N -0.16 0.07 -0.91 -1.70 -1.32 -0.75 -5.01 115.64 105.86 2a5m s THR 110 Ca -0.03 -0.54 0.10 0.00 -1.21 0.00 0.00 61.69 60.01 2a5m s THR 110 Cb -0.14 -0.72 0.29 0.00 -1.51 0.00 0.00 72.50 70.42 2a5m s THR 110 CO 0.04 -0.30 1.23 0.35 -2.21 0.00 0.00 174.62 173.73 2a5m n THR 111 N 1.05 0.97 -4.50 5.08 -2.24 -1.26 -2.14 114.28 111.24 2a5m n THR 111 Ca -0.21 -0.98 -0.24 0.00 -2.27 0.00 0.00 64.05 60.35 2a5m n THR 111 Cb 0.57 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.73 0.71 -0.78 8.01 -1.26 -4.92 118.70 121.18 2a5m s GLU 112 Ca 0.22 -1.87 -0.14 0.00 0.01 0.00 0.00 54.97 53.19 2a5m s GLU 112 Cb 0.12 -1.59 0.03 0.00 -4.31 0.00 0.00 34.13 28.37 2a5m s GLU 112 CO 0.15 0.16 1.13 -0.51 0.01 0.00 0.00 175.26 176.20 2a5m s ASP 113 N -3.55 4.68 -0.22 -0.19 1.11 -1.26 -4.94 116.67 112.29 2a5m s ASP 113 Ca 0.31 2.05 0.01 0.00 0.18 0.00 0.00 52.55 55.10 2a5m s ASP 113 Cb 0.01 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.50 2a5m s ASP 113 CO 0.15 -1.92 -0.07 0.00 1.18 0.00 0.00 175.17 174.50 2a5m h PRO 115 N 7.95 0.12 -2.84 0.00 0.13 -1.89 -2.56 132.00 132.91 2a5m h PRO 115 Ca -0.21 -0.14 -0.44 0.00 -0.87 0.00 0.00 66.00 64.33 2a5m h PRO 115 Cb 1.08 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.85 2a5m h PRO 115 CO 0.44 0.91 -0.73 0.45 -0.23 0.00 0.00 178.00 178.83 2a5m s SER 116 N -6.87 2.43 0.21 1.44 0.15 -1.26 -2.12 113.70 107.68 2a5m s SER 116 Ca -0.02 -0.72 -0.07 0.00 0.70 0.00 0.00 55.95 55.85 2a5m s SER 116 Cb 0.10 -0.12 0.17 0.00 -1.71 0.00 0.00 66.02 64.47 2a5m s SER 116 CO 0.82 -0.37 1.72 0.40 1.20 0.00 0.00 173.24 177.01 2a5m h ILE 117 N 6.39 1.26 -0.45 6.45 2.04 -1.36 -2.28 117.51 129.56 2a5m h ILE 117 Ca -0.16 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.59 2a5m h ILE 117 Cb 1.11 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2a5m h ILE 117 CO 0.33 0.37 -0.15 -0.03 0.00 0.00 0.00 178.15 178.67 2a5m h MET 118 N 1.00 0.86 -0.36 2.37 4.05 -1.81 0.12 114.93 121.16 2a5m h MET 118 Ca 0.20 -0.32 -0.14 0.00 -0.28 0.00 0.00 59.70 59.16 2a5m h MET 118 Cb 0.41 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2a5m h MET 118 CO 0.01 0.95 -0.34 1.49 0.23 0.00 0.00 176.91 179.25 2a5m h GLU 119 N 0.76 0.82 0.06 0.39 4.22 -1.85 0.24 114.58 119.22 2a5m h GLU 119 Ca 0.12 -0.40 -0.09 0.00 0.08 0.00 0.00 59.36 59.07 2a5m h GLU 119 Cb 0.67 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2a5m h GLU 119 CO 0.05 1.03 -0.38 0.37 -2.18 0.00 0.00 179.01 177.91 2a5m h GLN 120 N 0.69 0.15 -0.01 1.92 5.75 -1.23 -3.39 115.11 118.98 2a5m h GLN 120 Ca 0.07 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 2a5m h GLN 120 Cb 0.89 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.53 2a5m h GLN 120 CO 0.08 1.10 -0.02 1.19 -2.65 0.00 0.00 178.83 178.53 2a5m n PHE 121 N -4.39 0.00 -2.80 3.99 3.72 0.42 -4.99 117.46 113.41 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 0.63 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.45 -1.58 -4.83 1.38 8.25 0.83 -4.97 115.22 114.75 2a5m n HIS 122 Ca 0.05 0.35 -0.33 0.00 -0.26 0.00 0.00 57.72 57.54 2a5m n HIS 122 Cb 0.23 -4.13 -0.13 0.00 1.12 0.00 0.00 29.99 27.07 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 -6.05 2.76 0.17 2.41 1.43 -1.25 -4.97 118.68 113.18 2a5m s LEU 123 Ca 0.21 -0.23 0.21 0.00 -1.03 0.00 0.00 54.13 53.28 2a5m s LEU 123 Cb -0.09 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2a5m s LEU 123 CO 0.25 0.28 1.01 0.08 0.23 0.00 0.00 176.35 178.20 2a5m h ARG 124 N 5.85 0.00 -3.69 1.70 0.11 -1.94 -3.23 114.38 113.18 2a5m h ARG 124 Ca -0.39 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.62 2a5m h ARG 124 Cb 1.18 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.14 2a5m h ARG 124 CO 0.53 0.09 -0.20 -1.21 0.10 0.00 0.00 179.97 179.28 2a5m s GLU 125 N -3.23 1.27 -0.08 0.08 2.02 -1.26 -4.63 118.70 112.87 2a5m s GLU 125 Ca -0.01 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.90 2a5m s GLU 125 Cb 0.09 0.43 0.02 0.00 0.10 0.00 0.00 34.13 34.77 2a5m s GLU 125 CO 0.79 -0.50 -0.09 0.42 0.02 0.00 0.00 175.26 175.90 2a5m s ILE 126 N -3.95 1.01 -0.39 -1.63 -1.09 -1.21 -4.91 121.20 109.03 2a5m s ILE 126 Ca 0.16 -0.36 0.12 0.00 -2.23 0.00 0.00 60.65 58.33 2a5m s ILE 126 Cb 0.02 -0.97 -0.14 0.00 -1.58 0.00 0.00 42.46 39.78 2a5m s ILE 126 CO 0.00 0.34 0.43 1.41 -1.23 0.00 0.00 174.94 175.89 2a5m n HIS 127 N 4.23 0.00 -3.54 3.97 8.25 -1.25 -4.78 115.22 122.10 2a5m n HIS 127 Ca -0.20 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 2a5m n HIS 127 Cb 0.51 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 2a5m n HIS 127 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2a5m s SER 128 N -2.48 -0.55 -0.24 0.41 0.01 -1.25 -2.93 113.70 106.66 2a5m s SER 128 Ca 0.02 0.44 -0.27 0.00 1.31 0.00 0.00 55.95 57.46 2a5m s SER 128 Cb 0.09 0.51 0.11 0.00 0.21 0.00 0.00 66.02 66.94 2a5m s SER 128 CO 0.49 -0.66 0.96 0.00 0.41 0.00 0.00 173.24 174.43 2a5m s LYS 130 N -0.13 1.60 -0.11 0.00 2.20 -0.44 -2.00 119.74 120.86 2a5m s LYS 130 Ca 0.01 -1.39 -0.01 0.00 -0.36 0.00 0.00 55.97 54.22 2a5m s LYS 130 Cb -0.04 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 2a5m s LYS 130 CO -0.02 -0.76 -0.05 0.54 -0.36 0.00 0.00 175.35 174.70 2a5m s VAL 131 N 1.19 3.83 -0.44 4.02 0.11 -1.26 -2.67 120.40 125.18 2a5m s VAL 131 Ca 0.01 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 2a5m s VAL 131 Cb -0.19 -2.62 0.13 0.00 -1.53 0.00 0.00 36.38 32.17 2a5m s VAL 131 CO -0.09 0.56 0.21 -0.69 -3.33 0.00 0.00 175.10 171.76 2a5m s VAL 132 N -0.32 1.78 0.09 2.04 1.01 -1.24 -4.15 120.40 119.60 2a5m s VAL 132 Ca 0.05 -2.63 0.00 0.00 0.00 0.00 0.00 61.98 59.40 2a5m s VAL 132 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.00 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 3.63 0.00 0.00 2.72 2.13 -1.26 -4.53 120.64 123.33 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 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 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 0.54 3.65 2.84 8.31 0.00 -1.26 -4.64 105.19 114.62 2a5m n GLY 134 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 1.16 0.03 2.61 -4.23 -1.26 -3.83 115.64 110.12 2a5m s THR 135 Ca 0.00 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 2a5m s THR 135 Cb 0.00 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.18 2a5m s THR 135 CO 0.00 -0.32 -0.10 0.26 -0.54 0.00 0.00 174.62 173.91 2a5m s TRP 136 N 1.53 0.91 -0.06 3.99 0.52 -0.88 -2.03 118.94 122.92 2a5m s TRP 136 Ca 0.01 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.85 2a5m s TRP 136 Cb -0.18 -0.55 -0.01 0.00 -1.15 0.00 0.00 33.47 31.58 2a5m s TRP 136 CO -0.12 -0.01 -0.23 0.42 0.02 0.00 0.00 176.95 177.03 2a5m s ILE 137 N -0.83 2.23 -0.03 2.03 1.01 -0.48 -0.37 121.20 124.77 2a5m s ILE 137 Ca -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2a5m s ILE 137 Cb -0.07 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 2a5m s ILE 137 CO 0.01 0.57 -0.08 -0.36 0.00 0.00 0.00 174.94 175.08 2a5m s PHE 138 N -0.22 2.87 0.03 3.97 0.40 0.35 -1.17 117.98 124.22 2a5m s PHE 138 Ca -0.02 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.36 2a5m s PHE 138 Cb -0.13 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 2a5m s PHE 138 CO 0.03 0.33 -0.24 0.71 0.70 0.00 0.00 175.22 176.76 2a5m s TYR 139 N -0.89 2.07 0.19 0.36 1.51 0.12 -0.45 117.35 120.26 2a5m s TYR 139 Ca 0.15 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.90 2a5m s TYR 139 Cb -0.11 -1.26 0.04 0.00 -0.11 0.00 0.00 41.96 40.51 2a5m s TYR 139 CO 0.04 0.08 1.42 1.49 -1.11 0.00 0.00 175.55 177.47 2a5m h GLU 140 N 5.00 0.00 -6.52 -0.62 4.81 -1.32 -1.71 114.58 114.22 2a5m h GLU 140 Ca -0.44 -0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.15 2a5m h GLU 140 Cb 1.15 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.37 2a5m h GLU 140 CO 0.45 0.84 -0.74 -0.51 -0.73 0.00 0.00 179.01 178.31 2a5m s LEU 141 N -7.10 2.95 1.06 1.64 1.43 0.33 -3.53 118.68 115.44 2a5m s LEU 141 Ca -0.00 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 2a5m s LEU 141 Cb 0.11 -1.68 0.11 0.00 0.03 0.00 0.00 46.19 44.76 2a5m s LEU 141 CO 0.80 0.13 0.35 -2.65 0.23 0.00 0.00 176.35 175.21 2a5m n PRO 142 N 0.33 -1.20 -2.60 1.29 -0.01 -1.26 -2.24 135.00 129.30 2a5m n PRO 142 Ca -0.12 -0.32 -0.21 0.00 -0.01 0.00 0.00 63.50 62.84 2a5m n PRO 142 Cb 0.54 -1.86 0.00 0.00 -0.01 0.00 0.00 33.50 32.18 2a5m n PRO 142 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 2a5m n ASN 143 N -2.15 -5.96 -3.49 2.55 4.05 -0.90 -2.92 115.26 106.44 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 0.58 -4.92 0.07 0.00 1.23 0.00 0.00 39.78 36.74 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 -4.17 -2.15 -4.41 1.20 4.01 -1.22 -5.02 117.16 105.41 2a5m n TYR 144 Ca -0.20 0.88 -0.20 0.00 -0.16 0.00 0.00 57.90 58.21 2a5m n TYR 144 Cb 0.67 -4.66 -0.10 0.00 -0.31 0.00 0.00 39.34 34.93 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 -5.39 1.52 0.81 -0.72 1.81 -0.95 -5.01 118.95 111.01 2a5m s ARG 145 Ca 0.10 -1.78 0.00 0.00 -1.72 0.00 0.00 55.73 52.33 2a5m s ARG 145 Cb -0.02 -1.02 0.00 0.00 -0.45 0.00 0.00 34.95 33.46 2a5m s ARG 145 CO 0.76 -0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.78 2a5m n GLY 146 N -0.56 -1.81 3.77 -3.53 0.00 -1.26 -0.52 105.19 101.28 2a5m n GLY 146 Ca -0.05 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 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 4.07 0.10 1.61 3.52 -1.26 -4.71 118.95 122.28 2a5m s ARG 147 Ca 0.00 1.89 0.07 0.00 -0.13 0.00 0.00 55.73 57.56 2a5m s ARG 147 Cb 0.00 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2a5m s ARG 147 CO 0.00 -0.32 -0.10 -0.65 -0.81 0.00 0.00 175.30 173.42 2a5m s GLN 148 N -2.24 2.13 -0.06 5.12 -0.21 -1.24 -1.63 119.66 121.53 2a5m s GLN 148 Ca 0.56 -1.02 0.04 0.00 0.02 0.00 0.00 55.36 54.97 2a5m s GLN 148 Cb -0.32 -2.30 -0.00 0.00 1.00 0.00 0.00 33.01 31.39 2a5m s GLN 148 CO 0.41 0.51 -0.18 0.71 -2.12 0.00 0.00 175.29 174.61 2a5m s TYR 149 N -1.19 1.88 -0.25 0.91 2.02 0.41 -4.63 117.35 116.49 2a5m s TYR 149 Ca 0.21 -0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 56.15 2a5m s TYR 149 Cb -0.11 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2a5m s TYR 149 CO 0.13 -0.23 0.35 -1.17 -1.57 0.00 0.00 175.55 173.07 2a5m s LEU 150 N 0.17 4.07 -0.05 -1.29 2.96 -1.26 -0.49 118.68 122.78 2a5m s LEU 150 Ca -0.08 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.07 2a5m s LEU 150 Cb -0.13 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2a5m s LEU 150 CO 0.04 -0.13 0.22 -0.76 -1.32 0.00 0.00 176.35 174.39 2a5m s LEU 151 N 1.81 4.39 0.00 -0.68 1.02 0.50 -4.97 118.68 120.76 2a5m s LEU 151 Ca 0.15 0.55 0.01 0.00 0.02 0.00 0.00 54.13 54.86 2a5m s LEU 151 Cb -0.15 -2.41 0.01 0.00 0.02 0.00 0.00 46.19 43.66 2a5m s LEU 151 CO 0.09 0.33 0.10 0.47 0.02 0.00 0.00 176.35 177.36 2a5m n ASP 152 N 1.54 1.49 -1.53 2.29 8.00 -1.26 -2.08 116.55 125.00 2a5m n ASP 152 Ca -0.15 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 53.85 2a5m n ASP 152 Cb 0.54 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -0.82 0.58 -4.04 -1.24 2.85 -1.25 -4.62 118.16 109.62 2a5m n LYS 153 Ca -0.01 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 2a5m n LYS 153 Cb 0.16 -1.21 -0.06 0.00 -0.65 0.00 0.00 35.03 33.27 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 0.73 2.30 -0.20 -1.58 -0.14 -1.26 -4.90 119.74 114.69 2a5m s LYS 154 Ca 0.00 -1.73 -0.07 0.00 -1.36 0.00 0.00 55.97 52.81 2a5m s LYS 154 Cb 0.00 -2.09 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 2a5m s LYS 154 CO 0.00 -0.07 0.07 -1.21 -0.76 0.00 0.00 175.35 173.38 2a5m s GLU 155 N -3.92 3.88 -0.38 1.68 2.02 -1.26 -4.18 118.70 116.54 2a5m s GLU 155 Ca 0.41 -0.38 -0.14 0.00 0.02 0.00 0.00 54.97 54.88 2a5m s GLU 155 Cb 0.01 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2a5m s GLU 155 CO 0.23 0.14 0.29 0.71 0.02 0.00 0.00 175.26 176.65 2a5m s TYR 156 N 0.75 3.23 -0.09 1.61 1.51 -0.85 -4.93 117.35 118.58 2a5m s TYR 156 Ca 0.03 -0.39 0.15 0.00 -1.01 0.00 0.00 57.07 55.86 2a5m s TYR 156 Cb -0.13 -2.57 -0.16 0.00 -0.11 0.00 0.00 41.96 38.98 2a5m s TYR 156 CO 0.02 -0.50 0.81 0.00 -1.11 0.00 0.00 175.55 174.78 2a5m h ARG 157 N 8.57 0.00 -6.12 -0.62 3.08 -1.86 -2.23 114.38 115.20 2a5m h ARG 157 Ca -0.29 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.21 2a5m h ARG 157 Cb 1.14 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.99 2a5m h ARG 157 CO 0.69 0.39 -0.81 0.15 -1.07 0.00 0.00 179.97 179.33 2a5m s LYS 158 N -2.80 1.24 0.24 0.04 1.02 -1.25 -1.27 119.74 116.95 2a5m s LYS 158 Ca -0.03 -1.32 -0.07 0.00 0.02 0.00 0.00 55.97 54.58 2a5m s LYS 158 Cb 0.08 -1.42 0.22 0.00 -0.52 0.00 0.00 37.83 36.20 2a5m s LYS 158 CO 0.81 0.31 1.89 -1.00 -0.92 0.00 0.00 175.35 176.44 2a5m h PRO 159 N 3.60 1.27 0.00 -1.68 0.13 -1.84 -1.07 132.00 132.41 2a5m h PRO 159 Ca -0.44 -0.11 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 32.06 2a5m h PRO 159 CO 0.46 0.88 0.00 0.28 -0.23 0.00 0.00 178.00 179.39 2a5m h VAL 160 N 1.29 0.00 0.00 1.56 2.07 -1.90 -2.10 116.25 117.16 2a5m h VAL 160 Ca 0.34 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2a5m h VAL 160 Cb -0.06 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2a5m h VAL 160 CO -0.06 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.75 2a5m h ASP 161 N 0.00 0.00 -0.60 0.57 3.58 -1.49 -1.99 116.42 116.49 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 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 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 -2.71 1.64 -0.72 0.28 2.14 -0.79 -4.91 117.44 112.37 2a5m n TRP 162 Ca -0.00 -0.66 0.00 0.00 2.07 0.00 0.00 57.50 58.90 2a5m n TRP 162 Cb 0.17 -0.34 0.00 0.00 -0.81 0.00 0.00 31.31 30.33 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 0.86 0.64 3.87 -1.67 0.00 -0.75 -4.63 105.19 103.51 2a5m n GLY 163 Ca 0.26 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.29 4.61 0.00 -1.26 -4.97 121.76 120.71 2a5m s ALA 164 Ca 0.00 -0.59 0.28 0.00 0.00 0.00 0.00 51.96 51.65 2a5m s ALA 164 Cb 0.00 -2.03 1.04 0.00 0.00 0.00 0.00 23.12 22.13 2a5m s ALA 164 CO 0.00 0.59 1.76 0.00 0.00 0.00 0.00 175.76 178.12 2a5m n ALA 165 N 1.99 2.84 -2.80 0.00 0.00 -1.26 -3.98 120.51 117.30 2a5m n ALA 165 Ca -0.19 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 2a5m n ALA 165 Cb 0.55 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.77 0.45 0.00 0.00 1.04 -1.26 -5.00 113.70 106.16 2a5m s SER 166 Ca 0.20 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2a5m s SER 166 Cb 0.19 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2a5m s SER 166 CO 0.55 -0.33 0.61 -0.81 0.98 0.00 0.00 173.24 174.24 2a5m n PRO 167 N 1.30 0.74 -2.73 4.02 -0.04 -1.26 -4.79 135.00 132.23 2a5m n PRO 167 Ca -0.22 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 2a5m n PRO 167 Cb 0.56 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.64 3.66 -0.17 0.55 0.00 -1.26 -3.33 121.76 119.57 2a5m s ALA 168 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 2a5m s ALA 168 Cb 0.00 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.72 2a5m s ALA 168 CO 0.00 -1.06 0.37 0.42 0.00 0.00 0.00 175.76 175.50 2a5m s ILE 169 N 3.13 -0.47 -0.27 0.00 1.01 -1.26 -4.69 121.20 118.65 2a5m s ILE 169 Ca 0.41 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.31 2a5m s ILE 169 Cb -0.15 -0.59 -0.08 0.00 0.01 0.00 0.00 42.46 41.65 2a5m s ILE 169 CO 0.07 0.08 0.26 0.00 0.00 0.00 0.00 174.94 175.35 2a5m n GLN 170 N 5.16 4.07 -3.54 2.79 3.00 -0.67 -4.56 117.38 123.63 2a5m n GLN 170 Ca -0.11 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.76 2a5m n GLN 170 Cb 0.50 -0.87 -0.04 0.00 0.00 0.00 0.00 30.24 29.84 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 -1.81 -0.39 0.04 1.08 0.01 -1.05 -1.06 113.70 110.51 2a5m s SER 171 Ca 0.02 -0.11 -0.18 0.00 1.31 0.00 0.00 55.95 56.99 2a5m s SER 171 Cb 0.05 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.84 2a5m s SER 171 CO 0.28 -0.87 0.40 0.72 0.41 0.00 0.00 173.24 174.18 2a5m s PHE 172 N -3.53 -0.25 0.00 2.43 -0.12 -0.97 0.13 117.98 115.68 2a5m s PHE 172 Ca 0.01 0.23 -0.07 0.00 -0.05 0.00 0.00 56.93 57.05 2a5m s PHE 172 Cb 0.00 0.20 -0.00 0.00 -0.63 0.00 0.00 43.02 42.60 2a5m s PHE 172 CO -0.10 -0.55 0.12 1.03 -0.05 0.00 0.00 175.22 175.66 2a5m s ARG 173 N -2.38 0.46 0.15 1.99 0.52 -0.31 -1.92 118.95 117.46 2a5m s ARG 173 Ca -0.06 -0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 54.53 2a5m s ARG 173 Cb -0.01 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.58 2a5m s ARG 173 CO -0.02 -0.11 0.66 -0.98 0.02 0.00 0.00 175.30 174.88 2a5m s ARG 174 N -1.39 4.28 -0.14 3.54 1.70 -1.26 -1.38 118.95 124.30 2a5m s ARG 174 Ca -0.15 0.85 -0.16 0.00 -0.47 0.00 0.00 55.73 55.80 2a5m s ARG 174 Cb -0.08 -3.10 -0.04 0.00 -0.57 0.00 0.00 34.95 31.16 2a5m s ARG 174 CO 0.01 0.53 0.40 0.42 -1.08 0.00 0.00 175.30 175.58 2a5m s ILE 175 N -1.29 5.23 0.03 4.99 1.01 -0.86 -4.94 121.20 125.38 2a5m s ILE 175 Ca 0.36 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.80 2a5m s ILE 175 Cb -0.19 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2a5m s ILE 175 CO 0.21 0.34 -0.05 0.68 0.00 0.00 0.00 174.94 176.13 2a5m s VAL 176 N 0.64 0.28 0.00 2.92 -7.23 -1.26 -4.86 120.40 110.89 2a5m s VAL 176 Ca 0.22 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 2a5m s VAL 176 Cb -0.14 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.41 2a5m s VAL 176 CO 0.08 -0.41 0.00 1.21 -0.31 0.00 0.00 175.10 175.67