#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 -4.47 0.00 -1.46 5.02 -1.26 -5.06 118.16 110.93 2a5m n LYS 2 Ca 0.00 3.26 0.00 0.00 -2.02 0.00 0.00 58.31 59.55 2a5m n LYS 2 Cb 0.00 -4.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.76 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 1.87 0.00 0.00 -0.18 -1.04 -1.26 -5.14 114.28 108.53 2a5m n THR 3 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2a5m n THR 3 Cb 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 -1.38 3.80 3.41 0.00 -1.26 -5.15 105.19 109.60 2a5m n GLY 4 Ca 0.00 0.92 -0.35 0.00 0.00 0.00 0.00 46.02 46.59 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 2.60 -0.19 -0.02 0.00 -1.26 -4.66 107.32 103.79 2a5m s GLY 5 Ca 0.00 0.54 -0.17 0.00 0.00 0.00 0.00 44.72 45.09 2a5m s GLY 5 CO 0.00 0.90 0.51 1.25 0.00 0.00 0.00 173.10 175.76 2a5m s LYS 6 N -2.72 0.58 0.00 2.90 2.20 -0.53 -4.62 119.74 117.55 2a5m s LYS 6 Ca 0.59 0.74 0.04 0.00 -0.36 0.00 0.00 55.97 56.97 2a5m s LYS 6 Cb -0.16 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 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 0.44 1.01 -0.09 5.43 2.07 -0.84 -0.94 121.20 128.28 2a5m s ILE 7 Ca -0.01 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2a5m s ILE 7 Cb -0.04 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.69 2a5m s ILE 7 CO -0.01 0.22 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.58 2a5m s SER 8 N -0.47 2.82 -0.08 4.50 0.01 0.99 -1.40 113.70 120.07 2a5m s SER 8 Ca 0.04 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2a5m s SER 8 Cb -0.05 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 2a5m s SER 8 CO -0.00 0.14 -0.06 -0.36 0.41 0.00 0.00 173.24 173.36 2a5m s PHE 9 N 0.40 2.96 -0.02 2.43 0.40 0.07 -0.10 117.98 124.11 2a5m s PHE 9 Ca -0.18 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.23 2a5m s PHE 9 Cb -0.17 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 2a5m s PHE 9 CO 0.08 0.31 -0.22 0.71 0.70 0.00 0.00 175.22 176.80 2a5m s TYR 10 N -0.72 1.99 0.30 0.36 1.51 -0.71 -0.94 117.35 119.14 2a5m s TYR 10 Ca 0.11 -0.40 0.15 0.00 -1.01 0.00 0.00 57.07 55.92 2a5m s TYR 10 Cb -0.11 -1.29 0.70 0.00 -0.11 0.00 0.00 41.96 41.15 2a5m s TYR 10 CO 0.02 -0.05 1.77 0.93 -1.11 0.00 0.00 175.55 177.11 2a5m h GLU 11 N 5.66 0.00 -5.83 -0.62 4.39 -1.39 -1.89 114.58 114.91 2a5m h GLU 11 Ca -0.39 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.73 2a5m h GLU 11 Cb 1.14 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.70 2a5m h GLU 11 CO 0.48 0.41 -0.50 -0.51 -1.16 0.00 0.00 179.01 177.72 2a5m s ASP 12 N -6.70 4.34 0.64 1.42 1.01 -0.50 -3.89 116.67 112.98 2a5m s ASP 12 Ca -0.02 -1.15 -0.14 0.00 0.71 0.00 0.00 52.55 51.95 2a5m s ASP 12 Cb 0.13 -0.39 -0.01 0.00 1.01 0.00 0.00 42.92 43.66 2a5m s ASP 12 CO 0.71 -0.57 1.07 -0.13 0.21 0.00 0.00 175.17 176.46 2a5m s ARG 13 N -3.89 3.08 -1.20 8.23 0.52 -1.26 -3.63 118.95 120.79 2a5m s ARG 13 Ca 0.38 1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 56.74 2a5m s ARG 13 Cb 0.04 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2a5m s ARG 13 CO 0.21 -1.00 0.42 -1.71 0.02 0.00 0.00 175.30 173.24 2a5m n ASN 14 N -2.44 -5.00 -3.77 0.23 4.05 -0.93 -3.03 115.26 104.36 2a5m n ASN 14 Ca 0.09 -0.20 -0.26 0.00 0.45 0.00 0.00 54.58 54.66 2a5m n ASN 14 Cb 0.53 -3.88 0.05 0.00 1.23 0.00 0.00 39.78 37.71 2a5m n ASN 14 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2a5m n PHE 15 N -4.19 -2.39 -4.15 1.20 3.72 -1.25 -4.99 117.46 105.40 2a5m n PHE 15 Ca -0.10 0.93 -0.23 0.00 -0.05 0.00 0.00 57.45 58.00 2a5m n PHE 15 Cb 0.60 -4.40 -0.07 0.00 -0.94 0.00 0.00 39.48 34.67 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 -6.36 2.30 0.81 -1.08 -0.21 -1.17 -5.01 119.66 108.95 2a5m s GLN 16 Ca 0.49 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 54.26 2a5m s GLN 16 Cb -0.24 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.66 2a5m s GLN 16 CO 0.79 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 174.47 2a5m n GLY 17 N -1.11 -1.85 3.77 3.09 0.00 -1.26 -1.41 105.19 106.41 2a5m n GLY 17 Ca -0.03 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 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 4.18 0.10 1.61 3.52 -1.26 -4.74 118.95 122.36 2a5m s ARG 18 Ca 0.00 1.98 0.10 0.00 -0.13 0.00 0.00 55.73 57.68 2a5m s ARG 18 Cb 0.00 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2a5m s ARG 18 CO 0.00 -0.26 -0.25 0.50 -0.81 0.00 0.00 175.30 174.48 2a5m s ARG 19 N -2.07 1.60 -0.06 5.12 3.52 -1.26 -1.55 118.95 124.25 2a5m s ARG 19 Ca 0.54 -1.24 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 2a5m s ARG 19 Cb -0.34 -1.97 0.02 0.00 -1.56 0.00 0.00 34.95 31.10 2a5m s ARG 19 CO 0.44 0.48 -0.05 -0.47 -0.81 0.00 0.00 175.30 174.88 2a5m s TYR 20 N -1.00 0.95 -0.09 5.12 5.04 -0.11 -4.97 117.35 122.29 2a5m s TYR 20 Ca 0.14 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 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 0.06 -0.27 -0.10 -0.51 -1.34 0.00 0.00 175.55 173.39 2a5m s ASP 21 N 1.17 4.38 -0.02 4.32 1.11 -1.26 -0.75 116.67 125.61 2a5m s ASP 21 Ca -0.07 -0.15 0.03 0.00 0.18 0.00 0.00 52.55 52.55 2a5m s ASP 21 Cb -0.14 -1.27 -0.00 0.00 1.07 0.00 0.00 42.92 42.58 2a5m s ASP 21 CO -0.01 0.29 -0.12 0.00 1.18 0.00 0.00 175.17 176.51 2a5m n ASP 23 N 3.02 2.38 -3.48 0.00 2.03 -1.26 -1.98 116.55 117.26 2a5m n ASP 23 Ca -0.16 -2.14 -0.08 0.00 0.52 0.00 0.00 54.79 52.92 2a5m n ASP 23 Cb 0.55 -0.13 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 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 5.65 -0.13 0.00 1.11 -1.26 -4.77 116.67 114.25 2a5m s ASP 25 Ca 0.16 2.77 -0.01 0.00 0.18 0.00 0.00 52.55 55.65 2a5m s ASP 25 Cb -0.05 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.34 2a5m s ASP 25 CO 0.10 -1.31 -0.03 0.00 1.18 0.00 0.00 175.17 175.11 2a5m h ALA 27 N 8.21 0.78 -1.66 0.00 0.00 -1.89 -1.22 119.26 123.49 2a5m h ALA 27 Ca -0.23 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.08 2a5m h ALA 27 Cb 1.12 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.55 2a5m h ALA 27 CO 0.35 0.60 -0.52 0.34 0.00 0.00 0.00 179.25 180.02 2a5m s ASP 28 N -6.45 0.22 0.00 0.00 -1.08 -1.25 -3.61 116.67 104.49 2a5m s ASP 28 Ca 0.02 -0.30 0.18 0.00 -0.52 0.00 0.00 52.55 51.93 2a5m s ASP 28 Cb 0.09 1.18 0.48 0.00 -1.46 0.00 0.00 42.92 43.21 2a5m s ASP 28 CO 0.72 -0.35 1.40 2.22 0.52 0.00 0.00 175.17 179.68 2a5m n PHE 29 N 5.36 0.71 0.30 -5.34 -1.74 -1.12 -4.50 117.46 111.12 2a5m n PHE 29 Ca 0.01 -0.47 0.18 0.00 -0.56 0.00 0.00 57.45 56.61 2a5m n PHE 29 Cb 0.50 -0.01 1.00 0.00 1.52 0.00 0.00 39.48 42.48 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 3.33 0.00 0.00 3.97 3.08 -1.76 -0.16 114.38 122.84 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 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2a5m h ARG 30 CO 0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 2a5m h SER 31 N 0.00 0.00 0.00 7.04 4.64 -1.97 -3.14 113.55 120.12 2a5m h SER 31 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2a5m h SER 31 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2a5m h SER 31 CO -0.00 0.00 -1.89 -1.22 -0.87 0.00 0.00 176.83 172.85 2a5m n TYR 32 N -2.57 0.00 -3.70 4.77 4.02 -0.13 -4.95 117.16 114.61 2a5m n TYR 32 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.82 2a5m n TYR 32 Cb 0.37 -0.49 -0.11 0.00 -0.02 0.00 0.00 39.34 39.09 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 -4.44 -0.05 0.00 7.72 2.96 -0.86 -4.84 118.68 119.17 2a5m s LEU 33 Ca -0.07 0.83 0.27 0.00 -0.22 0.00 0.00 54.13 54.94 2a5m s LEU 33 Cb 0.11 1.23 0.79 0.00 0.50 0.00 0.00 46.19 48.82 2a5m s LEU 33 CO 0.75 -0.19 1.62 -0.24 -1.32 0.00 0.00 176.35 176.97 2a5m n SER 34 N 4.35 0.31 -3.58 3.68 2.88 -1.26 -4.19 113.62 115.81 2a5m n SER 34 Ca -0.22 0.04 -0.05 0.00 -1.33 0.00 0.00 58.87 57.30 2a5m n SER 34 Cb 0.54 -0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 2a5m n SER 34 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2a5m s ARG 35 N -3.00 0.62 -0.13 -1.46 3.52 -1.26 -4.96 118.95 112.28 2a5m s ARG 35 Ca 0.12 -0.26 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 2a5m s ARG 35 Cb 0.18 0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.89 2a5m s ARG 35 CO 0.63 -0.27 0.11 0.00 -0.81 0.00 0.00 175.30 174.96 2a5m n ASN 37 N 5.30 2.22 -3.57 0.00 5.15 -0.71 -4.53 115.26 119.12 2a5m n ASN 37 Ca -0.05 -1.61 -0.14 0.00 -0.60 0.00 0.00 54.58 52.17 2a5m n ASN 37 Cb 0.49 0.02 -0.05 0.00 -0.53 0.00 0.00 39.78 39.71 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2a5m s SER 38 N -1.26 -0.47 -0.02 1.20 0.15 -1.21 0.26 113.70 112.36 2a5m s SER 38 Ca 0.17 0.24 -0.10 0.00 0.70 0.00 0.00 55.95 56.97 2a5m s SER 38 Cb 0.12 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 2a5m s SER 38 CO 0.19 -0.70 0.20 -0.63 1.20 0.00 0.00 173.24 173.50 2a5m s ILE 39 N -2.27 0.06 -0.11 6.45 1.01 -0.78 -1.73 121.20 123.83 2a5m s ILE 39 Ca -0.06 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2a5m s ILE 39 Cb -0.01 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.01 2a5m s ILE 39 CO -0.00 -0.29 -0.16 -0.60 0.00 0.00 0.00 174.94 173.89 2a5m s ARG 40 N -1.13 2.30 -0.33 2.79 3.52 0.85 -1.00 118.95 125.95 2a5m s ARG 40 Ca -0.12 -0.59 -0.09 0.00 -0.13 0.00 0.00 55.73 54.80 2a5m s ARG 40 Cb -0.06 -1.95 0.01 0.00 -1.56 0.00 0.00 34.95 31.39 2a5m s ARG 40 CO 0.02 -0.07 0.15 0.08 -0.81 0.00 0.00 175.30 174.67 2a5m s VAL 41 N 0.99 4.39 0.03 7.11 1.01 0.16 -0.00 120.40 134.08 2a5m s VAL 41 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2a5m s VAL 41 Cb -0.15 -3.32 -0.26 0.00 0.00 0.00 0.00 36.38 32.65 2a5m s VAL 41 CO -0.02 -0.03 0.94 -0.33 0.00 0.00 0.00 175.10 175.66 2a5m h GLU 42 N 8.34 0.19 -1.90 2.72 4.39 -1.26 -0.97 114.58 126.08 2a5m h GLU 42 Ca -0.30 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 2a5m h GLU 42 Cb 1.13 0.12 -0.20 0.00 -0.10 0.00 0.00 28.75 29.69 2a5m h GLU 42 CO 0.63 1.04 0.29 0.20 -1.16 0.00 0.00 179.01 180.01 2a5m s GLY 43 N -4.90 -0.49 0.00 -3.84 0.00 -1.13 -4.81 107.32 92.15 2a5m s GLY 43 Ca -0.06 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.16 2a5m s GLY 43 CO 0.85 0.96 0.00 0.61 0.00 0.00 0.00 173.10 175.52 2a5m n GLY 44 N 0.83 -1.29 3.29 0.20 0.00 -1.26 -1.46 105.19 105.50 2a5m n GLY 44 Ca -0.16 -1.59 -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 2.05 0.13 2.61 2.01 -1.26 -2.73 115.64 116.80 2a5m s THR 45 Ca 0.00 -1.09 0.07 0.00 0.31 0.00 0.00 61.69 60.99 2a5m s THR 45 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2a5m s THR 45 CO 0.00 0.57 -0.18 0.26 -0.69 0.00 0.00 174.62 174.59 2a5m s TRP 46 N -0.36 1.65 -0.13 4.92 0.52 -0.63 0.55 118.94 125.46 2a5m s TRP 46 Ca 0.02 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 2a5m s TRP 46 Cb -0.12 -0.87 -0.03 0.00 -1.15 0.00 0.00 33.47 31.30 2a5m s TRP 46 CO 0.02 0.22 -0.01 0.00 0.02 0.00 0.00 176.95 177.20 2a5m s ALA 47 N -1.72 3.17 0.01 0.98 0.00 0.63 -0.19 121.76 124.64 2a5m s ALA 47 Ca 0.10 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2a5m s ALA 47 Cb -0.07 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2a5m s ALA 47 CO 0.05 0.35 -0.21 0.14 0.00 0.00 0.00 175.76 176.08 2a5m s VAL 48 N -0.11 2.49 0.03 0.00 -7.23 -0.38 -0.92 120.40 114.28 2a5m s VAL 48 Ca 0.04 -1.15 0.09 0.00 -1.81 0.00 0.00 61.98 59.15 2a5m s VAL 48 Cb -0.13 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2a5m s VAL 48 CO 0.02 0.44 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.68 2a5m s TYR 49 N -0.79 2.33 0.31 2.82 1.51 -0.63 -1.99 117.35 120.92 2a5m s TYR 49 Ca 0.12 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2a5m s TYR 49 Cb -0.10 -1.41 0.50 0.00 -0.11 0.00 0.00 41.96 40.83 2a5m s TYR 49 CO 0.02 0.11 1.78 1.49 -1.11 0.00 0.00 175.55 177.84 2a5m h GLU 50 N 4.89 0.47 -5.80 -0.62 4.81 -1.46 -2.22 114.58 114.66 2a5m h GLU 50 Ca -0.46 -0.15 -0.50 0.00 -0.13 0.00 0.00 59.36 58.13 2a5m h GLU 50 Cb 1.14 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.31 2a5m h GLU 50 CO 0.44 0.63 -0.76 1.03 -0.73 0.00 0.00 179.01 179.62 2a5m s ARG 51 N -4.65 1.32 1.08 1.92 0.52 -0.82 -3.13 118.95 115.20 2a5m s ARG 51 Ca -0.07 -1.50 -0.16 0.00 -0.52 0.00 0.00 55.73 53.48 2a5m s ARG 51 Cb 0.14 -1.27 0.13 0.00 0.52 0.00 0.00 34.95 34.47 2a5m s ARG 51 CO 0.78 0.24 0.34 -0.35 0.02 0.00 0.00 175.30 176.33 2a5m n PRO 52 N -0.03 -1.41 -2.98 3.54 -0.04 -1.26 -2.88 135.00 129.94 2a5m n PRO 52 Ca -0.11 -0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 62.79 2a5m n PRO 52 Cb 0.59 -1.86 0.04 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.33 -5.22 -4.03 3.54 3.02 -1.24 -3.13 115.26 105.87 2a5m n ASN 53 Ca 0.03 -0.27 -0.29 0.00 -0.03 0.00 0.00 54.58 54.02 2a5m n ASN 53 Cb 0.58 -4.01 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2a5m n PHE 54 N -4.30 -1.56 -4.39 3.10 3.72 -1.25 -4.96 117.46 107.82 2a5m n PHE 54 Ca -0.07 0.63 -0.20 0.00 -0.05 0.00 0.00 57.45 57.77 2a5m n PHE 54 Cb 0.58 -3.41 -0.10 0.00 -0.94 0.00 0.00 39.48 35.62 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 -4.22 2.49 0.00 4.37 1.04 -1.14 -5.06 113.70 111.18 2a5m s SER 55 Ca 0.09 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2a5m s SER 55 Cb -0.04 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2a5m s SER 55 CO 0.92 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.39 2a5m n GLY 56 N -0.51 -1.73 3.77 7.32 0.00 -1.26 -1.94 105.19 110.84 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 2.63 -0.07 1.61 5.65 -1.26 -4.70 115.29 119.14 2a5m s HIS 57 Ca 0.00 1.33 0.04 0.00 0.25 0.00 0.00 55.06 56.69 2a5m s HIS 57 Cb 0.00 -3.80 -0.01 0.00 -1.18 0.00 0.00 32.58 27.59 2a5m s HIS 57 CO 0.00 -2.54 -0.21 -1.64 -0.65 0.00 0.00 174.74 169.70 2a5m s MET 58 N -2.36 2.74 -0.02 2.88 1.00 -1.26 -2.04 119.30 120.24 2a5m s MET 58 Ca 0.59 -0.83 0.01 0.00 0.00 0.00 0.00 55.69 55.47 2a5m s MET 58 Cb -0.41 -2.30 0.01 0.00 0.00 0.00 0.00 34.83 32.13 2a5m s MET 58 CO 0.53 0.38 -0.05 0.71 0.00 0.00 0.00 175.02 176.58 2a5m s TYR 59 N -0.13 0.59 -0.14 -0.03 2.02 -0.84 -3.84 117.35 114.99 2a5m s TYR 59 Ca -0.04 -0.13 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 2a5m s TYR 59 Cb -0.14 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 2a5m s TYR 59 CO 0.04 -0.09 0.28 0.42 -1.57 0.00 0.00 175.55 174.63 2a5m s ILE 60 N 0.36 5.30 -0.24 2.71 -1.09 -1.26 -1.26 121.20 125.72 2a5m s ILE 60 Ca -0.04 0.52 0.02 0.00 -2.23 0.00 0.00 60.65 58.92 2a5m s ILE 60 Cb -0.08 -3.61 0.06 0.00 -1.58 0.00 0.00 42.46 37.25 2a5m s ILE 60 CO -0.00 0.44 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.31 2a5m s LEU 61 N 0.12 2.93 0.92 2.97 1.43 0.73 -4.98 118.68 122.80 2a5m s LEU 61 Ca 0.17 -1.26 -0.13 0.00 -1.03 0.00 0.00 54.13 51.88 2a5m s LEU 61 Cb -0.13 -1.34 0.15 0.00 0.03 0.00 0.00 46.19 44.90 2a5m s LEU 61 CO 0.05 -0.21 1.16 -2.16 0.23 0.00 0.00 176.35 175.41 2a5m s PRO 62 N 1.27 1.03 0.31 1.29 0.04 -1.26 -1.61 135.00 136.06 2a5m s PRO 62 Ca -0.07 0.16 -0.28 0.00 0.04 0.00 0.00 61.00 60.85 2a5m s PRO 62 Cb -0.19 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 2a5m s PRO 62 CO -0.06 -2.25 1.14 0.00 0.04 0.00 0.00 177.00 175.87 2a5m n GLN 63 N -3.78 1.68 -3.27 4.56 0.00 -1.10 -4.82 117.38 110.64 2a5m n GLN 63 Ca 0.08 0.59 0.00 0.00 0.00 0.00 0.00 57.00 57.67 2a5m n GLN 63 Cb 0.60 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 28.78 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 1.09 -1.98 3.24 2.61 0.00 -0.37 -4.98 105.19 104.81 2a5m n GLY 64 Ca 0.08 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 2a5m n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a5m s GLU 65 N -1.85 3.09 -0.40 1.61 2.12 -1.26 0.36 118.70 122.37 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 0.12 0.71 -0.54 0.00 0.00 175.26 175.74 2a5m s TYR 66 N 0.33 3.43 -1.49 5.30 1.51 -0.17 -4.98 117.35 121.29 2a5m s TYR 66 Ca -0.18 -2.98 0.16 0.00 -1.01 0.00 0.00 57.07 53.06 2a5m s TYR 66 Cb -0.18 -2.80 0.84 0.00 -0.11 0.00 0.00 41.96 39.71 2a5m s TYR 66 CO 0.08 -0.88 1.47 -0.35 -1.11 0.00 0.00 175.55 174.77 2a5m n PRO 67 N 3.89 0.26 -3.71 -1.71 -0.04 -1.26 -1.86 135.00 130.58 2a5m n PRO 67 Ca 0.04 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2a5m n PRO 67 Cb 0.39 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.51 0.82 0.30 0.54 0.41 -1.26 -2.20 118.70 114.79 2a5m s GLU 68 Ca 0.16 -0.27 -0.02 0.00 -0.41 0.00 0.00 54.97 54.44 2a5m s GLU 68 Cb 0.11 0.36 0.44 0.00 -1.78 0.00 0.00 34.13 33.27 2a5m s GLU 68 CO 0.24 -0.26 1.94 0.10 -0.49 0.00 0.00 175.26 176.80 2a5m h TYR 69 N 3.37 0.99 -0.00 1.61 -0.00 -0.49 -1.12 116.97 121.33 2a5m h TYR 69 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.43 2a5m h TYR 69 Cb 1.19 -0.33 -0.00 0.00 -0.00 0.00 0.00 36.73 37.59 2a5m h TYR 69 CO 0.46 0.66 0.00 1.96 -0.00 0.00 0.00 178.16 181.25 2a5m h GLN 70 N 1.04 0.00 0.00 0.10 4.20 -1.85 0.33 115.11 118.93 2a5m h GLN 70 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2a5m h GLN 70 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2a5m h GLN 70 CO -0.05 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.02 2a5m h ARG 71 N 0.00 0.00 -0.46 1.46 9.65 -1.59 -1.41 114.38 122.04 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 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 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 -2.89 0.60 -1.75 2.20 -0.00 0.11 -4.93 117.44 110.78 2a5m n TRP 72 Ca 0.01 -0.42 -0.21 0.00 -0.00 0.00 0.00 57.50 56.88 2a5m n TRP 72 Cb 0.32 -0.01 -0.08 0.00 -0.00 0.00 0.00 31.31 31.54 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 1.05 -1.50 -1.75 5.87 2.81 -0.53 -4.92 117.12 118.16 2a5m n MET 73 Ca 0.17 1.20 -0.40 0.00 -1.81 0.00 0.00 57.70 56.86 2a5m n MET 73 Cb 0.51 -5.64 0.03 0.00 -0.71 0.00 0.00 33.22 27.41 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 -0.50 0.85 0.08 3.03 0.00 -0.86 -4.89 105.19 102.91 2a5m n GLY 74 Ca -0.22 0.13 -0.07 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 1.95 0.07 0.00 0.99 5.85 -1.91 -3.43 115.31 118.83 2a5m h LEU 75 Ca -0.50 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 2a5m h LEU 75 Cb 1.29 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2a5m h LEU 75 CO 0.59 0.98 0.03 -0.46 -0.34 0.00 0.00 178.44 179.24 2a5m n ASN 76 N -3.47 -0.44 -1.99 1.25 0.23 -1.26 -5.04 115.26 104.54 2a5m n ASN 76 Ca -0.01 -1.38 -0.14 0.00 -0.53 0.00 0.00 54.58 52.52 2a5m n ASN 76 Cb 0.88 0.76 0.21 0.00 -2.08 0.00 0.00 39.78 39.56 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 -1.42 4.05 -4.63 0.53 8.00 -1.26 -4.92 116.55 116.91 2a5m n ASP 77 Ca -0.01 -3.27 -0.38 0.00 0.71 0.00 0.00 54.79 51.84 2a5m n ASP 77 Cb 0.13 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 40.38 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2a5m s ARG 78 N -2.81 4.06 -0.10 -1.24 6.06 -1.26 -2.20 118.95 121.46 2a5m s ARG 78 Ca 0.50 0.03 -0.04 0.00 -2.50 0.00 0.00 55.73 53.71 2a5m s ARG 78 Cb 0.41 -3.61 0.05 0.00 0.06 0.00 0.00 34.95 31.86 2a5m s ARG 78 CO 0.11 -0.16 0.20 -0.51 -2.50 0.00 0.00 175.30 172.43 2a5m s LEU 79 N 1.72 -0.13 -0.01 -0.88 1.43 -1.25 -4.31 118.68 115.24 2a5m s LEU 79 Ca 0.15 0.43 0.12 0.00 -1.03 0.00 0.00 54.13 53.80 2a5m s LEU 79 Cb -0.15 0.44 -0.16 0.00 0.03 0.00 0.00 46.19 46.34 2a5m s LEU 79 CO 0.09 -0.24 0.36 0.61 0.23 0.00 0.00 176.35 177.40 2a5m n GLY 80 N 5.29 -0.38 3.38 -3.19 0.00 -0.83 -4.80 105.19 104.66 2a5m n GLY 80 Ca -0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.89 -0.41 -0.01 1.61 1.04 -1.24 -2.80 113.70 109.00 2a5m s SER 81 Ca -0.01 0.03 -0.07 0.00 0.48 0.00 0.00 55.95 56.37 2a5m s SER 81 Cb 0.08 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2a5m s SER 81 CO 0.50 -0.79 0.15 0.00 0.98 0.00 0.00 173.24 174.07 2a5m s ARG 83 N -1.19 0.39 0.06 0.00 0.52 -0.10 -0.60 118.95 118.02 2a5m s ARG 83 Ca -0.13 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 2a5m s ARG 83 Cb -0.07 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.00 2a5m s ARG 83 CO 0.01 0.10 1.01 0.00 0.02 0.00 0.00 175.30 176.44 2a5m s ALA 84 N -0.22 3.23 -0.19 2.13 0.00 -1.26 -0.27 121.76 125.18 2a5m s ALA 84 Ca 0.01 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 2a5m s ALA 84 Cb -0.02 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2a5m s ALA 84 CO -0.00 -0.19 0.56 0.08 0.00 0.00 0.00 175.76 176.21 2a5m s VAL 85 N 0.60 5.08 -0.03 0.00 1.01 0.19 -4.89 120.40 122.36 2a5m s VAL 85 Ca 0.51 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 2a5m s VAL 85 Cb -0.23 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2a5m s VAL 85 CO 0.29 0.16 0.57 -1.00 0.00 0.00 0.00 175.10 175.12 2a5m s HIS 86 N 1.70 3.65 -0.12 5.22 3.76 -1.26 -4.22 115.29 124.01 2a5m s HIS 86 Ca 0.26 1.14 -0.07 0.00 -0.15 0.00 0.00 55.06 56.24 2a5m s HIS 86 Cb -0.16 -2.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.90 2a5m s HIS 86 CO 0.10 0.32 0.13 -0.51 -0.85 0.00 0.00 174.74 173.93 2a5m s LEU 87 N -0.03 4.30 -0.20 0.89 1.43 -1.26 -4.76 118.68 119.05 2a5m s LEU 87 Ca 0.30 0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 2a5m s LEU 87 Cb -0.18 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 2a5m s LEU 87 CO 0.16 0.39 -0.04 -0.94 0.23 0.00 0.00 176.35 176.15 2a5m s SER 88 N -0.92 4.42 -0.10 2.29 1.04 -1.26 -5.10 113.70 114.06 2a5m s SER 88 Ca 0.14 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.26 2a5m s SER 88 Cb -0.12 -1.75 -0.02 0.00 0.10 0.00 0.00 66.02 64.24 2a5m s SER 88 CO 0.03 0.03 -0.13 -0.44 0.98 0.00 0.00 173.24 173.71 2a5m s SER 89 N 1.19 4.03 0.00 7.02 0.01 -1.26 -4.94 113.70 119.75 2a5m s SER 89 Ca 0.02 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2a5m s SER 89 Cb -0.14 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.71 2a5m s SER 89 CO -0.01 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2a5m n GLY 90 N 3.13 -0.35 0.00 3.44 0.00 -1.26 -5.15 105.19 105.00 2a5m n GLY 90 Ca -0.18 -0.01 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 -1.49 -0.33 3.10 -0.02 0.00 -1.26 -5.12 105.19 100.07 2a5m n GLY 91 Ca 0.00 0.54 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 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 1.31 2.83 0.09 1.61 0.74 -1.26 -5.10 119.66 119.89 2a5m s GLN 92 Ca 0.00 -0.88 -0.30 0.00 0.05 0.00 0.00 55.36 54.23 2a5m s GLN 92 Cb 0.00 -2.57 -0.06 0.00 1.10 0.00 0.00 33.01 31.47 2a5m s GLN 92 CO 0.00 -0.26 1.20 0.00 -0.55 0.00 0.00 175.29 175.68 2a5m s ALA 93 N 1.28 3.41 -0.02 1.58 0.00 -1.26 -5.03 121.76 121.72 2a5m s ALA 93 Ca 0.03 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.89 2a5m s ALA 93 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2a5m s ALA 93 CO -0.12 -0.42 -0.09 0.21 0.00 0.00 0.00 175.76 175.34 2a5m s LYS 94 N 0.76 0.94 0.04 0.00 2.20 -1.26 -4.46 119.74 117.95 2a5m s LYS 94 Ca 0.57 -0.31 0.06 0.00 -0.36 0.00 0.00 55.97 55.93 2a5m s LYS 94 Cb -0.30 -0.88 -0.02 0.00 -1.51 0.00 0.00 37.83 35.11 2a5m s LYS 94 CO 0.31 0.12 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.76 2a5m s ILE 95 N 0.14 1.33 -0.07 5.43 2.07 -0.90 -4.29 121.20 124.91 2a5m s ILE 95 Ca -0.02 -1.08 0.05 0.00 -1.41 0.00 0.00 60.65 58.19 2a5m s ILE 95 Cb -0.08 -1.18 -0.00 0.00 0.13 0.00 0.00 42.46 41.33 2a5m s ILE 95 CO 0.00 0.08 -0.22 0.00 -1.91 0.00 0.00 174.94 172.89 2a5m s GLN 96 N -1.15 2.53 0.07 3.50 -2.07 -1.15 -1.94 119.66 119.44 2a5m s GLN 96 Ca 0.04 -0.81 0.08 0.00 -1.82 0.00 0.00 55.36 52.85 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 0.01 0.26 -0.21 0.14 -1.32 0.00 0.00 175.29 174.17 2a5m s VAL 97 N 0.10 1.74 -0.01 3.63 -7.23 -0.33 -1.50 120.40 116.81 2a5m s VAL 97 Ca -0.10 -1.38 0.08 0.00 -1.81 0.00 0.00 61.98 58.77 2a5m s VAL 97 Cb -0.15 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2a5m s VAL 97 CO 0.05 0.10 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.33 2a5m s PHE 98 N -0.96 2.37 0.38 2.82 0.40 -0.84 -1.60 117.98 120.56 2a5m s PHE 98 Ca 0.08 -0.40 0.14 0.00 -0.60 0.00 0.00 56.93 56.15 2a5m s PHE 98 Cb -0.09 -1.49 0.82 0.00 0.51 0.00 0.00 43.02 42.77 2a5m s PHE 98 CO 0.03 0.03 1.87 1.49 0.70 0.00 0.00 175.22 179.34 2a5m h GLU 99 N 5.29 0.00 -5.87 0.44 4.81 -1.15 -3.34 114.58 114.77 2a5m h GLU 99 Ca -0.44 0.00 -0.58 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 30.41 2a5m h GLU 99 CO 0.47 0.32 -0.54 0.15 -0.73 0.00 0.00 179.01 178.67 2a5m s LYS 100 N -4.27 2.14 0.89 1.92 -0.14 0.40 -4.29 119.74 116.40 2a5m s LYS 100 Ca -0.03 -1.88 -0.11 0.00 -1.36 0.00 0.00 55.97 52.58 2a5m s LYS 100 Cb 0.14 -1.90 0.12 0.00 -1.68 0.00 0.00 37.83 34.52 2a5m s LYS 100 CO 0.71 -0.05 1.09 0.20 -0.76 0.00 0.00 175.35 176.54 2a5m s GLY 101 N -3.83 1.62 -1.44 -3.33 0.00 -1.26 -3.40 107.32 95.67 2a5m s GLY 101 Ca 0.39 -0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 2a5m s GLY 101 CO 0.21 0.43 1.05 1.22 0.00 0.00 0.00 173.10 176.00 2a5m n ASP 102 N -3.86 -5.73 -3.70 1.64 8.00 -0.30 -2.80 116.55 109.80 2a5m n ASP 102 Ca 0.07 -0.60 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 2a5m n ASP 102 Cb 0.55 -4.54 0.03 0.00 -0.02 0.00 0.00 41.12 37.14 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 -4.82 -1.91 -4.36 1.24 3.72 -1.25 -5.00 117.46 105.08 2a5m n PHE 103 Ca 0.01 0.69 -0.18 0.00 -0.05 0.00 0.00 57.45 57.93 2a5m n PHE 103 Cb 0.55 -3.93 -0.10 0.00 -0.94 0.00 0.00 39.48 35.06 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 -3.99 2.09 0.00 4.37 0.02 -1.12 -5.02 114.94 111.28 2a5m s ASN 104 Ca 0.20 -1.22 0.00 0.00 -1.02 0.00 0.00 52.86 50.82 2a5m s ASN 104 Cb -0.06 -0.04 0.00 0.00 0.02 0.00 0.00 41.25 41.17 2a5m s ASN 104 CO 0.84 -0.47 0.00 0.61 0.02 0.00 0.00 177.10 178.09 2a5m n GLY 105 N -0.47 -1.80 3.77 0.66 0.00 -1.26 -0.45 105.19 105.65 2a5m n GLY 105 Ca -0.05 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 2a5m n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 106 N 0.00 4.31 0.00 1.61 2.00 -1.26 -4.69 119.66 121.63 2a5m s GLN 106 Ca 0.00 1.59 0.06 0.00 -2.00 0.00 0.00 55.36 55.02 2a5m s GLN 106 Cb 0.00 -2.74 -0.03 0.00 0.80 0.00 0.00 33.01 31.04 2a5m s GLN 106 CO 0.00 -0.03 -0.19 1.41 -0.50 0.00 0.00 175.29 175.98 2a5m s MET 107 N -2.17 2.18 -0.03 1.67 -2.45 -1.26 -1.09 119.30 116.16 2a5m s MET 107 Ca 0.54 -0.90 0.03 0.00 -1.25 0.00 0.00 55.69 54.11 2a5m s MET 107 Cb -0.25 -2.20 0.00 0.00 1.25 0.00 0.00 34.83 33.63 2a5m s MET 107 CO 0.31 0.57 -0.10 0.71 1.05 0.00 0.00 175.02 177.56 2a5m s TYR 108 N -0.80 1.04 -0.05 4.11 2.02 -0.63 -4.97 117.35 118.07 2a5m s TYR 108 Ca 0.13 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 2a5m s TYR 108 Cb -0.10 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.72 2a5m s TYR 108 CO 0.02 -0.10 -0.25 -2.00 -1.57 0.00 0.00 175.55 171.66 2a5m s GLU 109 N 0.12 2.46 0.02 -0.62 -6.30 -1.26 -1.19 118.70 111.92 2a5m s GLU 109 Ca -0.02 -0.89 -0.14 0.00 -2.50 0.00 0.00 54.97 51.42 2a5m s GLU 109 Cb -0.08 -2.11 0.02 0.00 0.00 0.00 0.00 34.13 31.96 2a5m s GLU 109 CO 0.01 0.39 0.29 -0.08 0.02 0.00 0.00 175.26 175.89 2a5m s THR 110 N -0.19 0.07 -0.85 -1.70 -1.32 -0.82 -4.99 115.64 105.84 2a5m s THR 110 Ca -0.02 -0.60 0.09 0.00 -1.21 0.00 0.00 61.69 59.95 2a5m s THR 110 Cb -0.13 -0.77 0.24 0.00 -1.51 0.00 0.00 72.50 70.33 2a5m s THR 110 CO 0.03 -0.33 1.17 0.35 -2.21 0.00 0.00 174.62 173.63 2a5m n THR 111 N 0.93 0.88 -4.49 5.08 -2.24 -1.26 -2.11 114.28 111.06 2a5m n THR 111 Ca -0.20 -0.94 -0.24 0.00 -2.27 0.00 0.00 64.05 60.40 2a5m n THR 111 Cb 0.58 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.71 0.72 -0.78 2.02 -1.26 -4.85 118.70 115.28 2a5m s GLU 112 Ca 0.19 -1.85 -0.13 0.00 0.02 0.00 0.00 54.97 53.20 2a5m s GLU 112 Cb 0.10 -1.58 0.03 0.00 0.10 0.00 0.00 34.13 32.78 2a5m s GLU 112 CO 0.13 0.17 1.12 0.16 0.02 0.00 0.00 175.26 176.86 2a5m s ASP 113 N -3.54 4.62 -0.21 -0.19 1.47 -1.26 -4.94 116.67 112.62 2a5m s ASP 113 Ca 0.31 2.02 0.01 0.00 1.18 0.00 0.00 52.55 56.06 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 0.15 -1.96 -0.08 0.00 0.68 0.00 0.00 175.17 173.95 2a5m h PRO 115 N 7.98 0.00 -2.53 0.00 0.13 -1.88 -2.33 132.00 133.37 2a5m h PRO 115 Ca -0.24 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.55 2a5m h PRO 115 Cb 1.09 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.86 2a5m h PRO 115 CO 0.45 0.60 -0.64 -1.54 -0.23 0.00 0.00 178.00 176.64 2a5m s SER 116 N -6.63 1.56 0.23 1.44 1.04 -1.25 -2.04 113.70 108.04 2a5m s SER 116 Ca 0.00 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.02 2a5m s SER 116 Cb 0.11 0.32 0.22 0.00 0.10 0.00 0.00 66.02 66.77 2a5m s SER 116 CO 0.75 -0.34 1.82 0.40 0.98 0.00 0.00 173.24 176.84 2a5m h ILE 117 N 6.32 1.25 -0.36 -1.02 2.04 -1.07 -1.94 117.51 122.72 2a5m h ILE 117 Ca -0.17 -0.75 -0.12 0.00 1.00 0.00 0.00 64.86 64.82 2a5m h ILE 117 Cb 1.14 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2a5m h ILE 117 CO 0.30 0.32 -0.25 -0.03 0.00 0.00 0.00 178.15 178.48 2a5m h MET 118 N 1.15 0.74 -0.31 2.37 4.05 -1.81 0.80 114.93 121.92 2a5m h MET 118 Ca 0.27 -0.31 -0.16 0.00 -0.28 0.00 0.00 59.70 59.22 2a5m h MET 118 Cb 0.16 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2a5m h MET 118 CO -0.03 0.91 -0.46 0.93 0.23 0.00 0.00 176.91 178.49 2a5m h GLU 119 N 0.64 0.81 0.05 0.39 5.08 -1.83 0.85 114.58 120.58 2a5m h GLU 119 Ca 0.08 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2a5m h GLU 119 Cb 0.76 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2a5m h GLU 119 CO 0.06 1.10 -0.34 0.37 -1.00 0.00 0.00 179.01 179.20 2a5m h GLN 120 N 0.64 0.11 -0.01 2.33 4.15 -1.22 -3.39 115.11 117.72 2a5m h GLN 120 Ca 0.04 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2a5m h GLN 120 Cb 1.04 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2a5m h GLN 120 CO 0.10 1.09 -0.03 1.19 -1.93 0.00 0.00 178.83 179.25 2a5m n PHE 121 N -4.42 0.00 -2.81 3.99 3.72 0.26 -4.98 117.46 113.22 2a5m n PHE 121 Ca -0.12 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.06 2a5m n PHE 121 Cb 0.62 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.49 -1.64 -4.74 1.38 8.25 0.29 -4.97 115.22 114.29 2a5m n HIS 122 Ca 0.06 0.35 -0.33 0.00 -0.26 0.00 0.00 57.72 57.54 2a5m n HIS 122 Cb 0.27 -4.30 -0.13 0.00 1.12 0.00 0.00 29.99 26.94 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 -6.38 2.87 0.11 2.41 1.43 -1.25 -4.97 118.68 112.91 2a5m s LEU 123 Ca 0.20 -0.21 0.20 0.00 -1.03 0.00 0.00 54.13 53.30 2a5m s LEU 123 Cb -0.09 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.40 2a5m s LEU 123 CO 0.25 0.25 0.86 -2.11 0.23 0.00 0.00 176.35 175.84 2a5m n ARG 124 N 2.96 0.62 -3.88 1.70 0.00 -1.26 -3.40 116.66 113.40 2a5m n ARG 124 Ca -0.18 0.11 -0.09 0.00 -0.00 0.00 0.00 57.85 57.69 2a5m n ARG 124 Cb 0.53 -1.77 -0.06 0.00 -0.00 0.00 0.00 32.46 31.15 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 -3.21 1.13 -0.05 2.89 2.02 -1.26 -4.58 118.70 115.64 2a5m s GLU 125 Ca -0.03 -1.05 0.01 0.00 0.02 0.00 0.00 54.97 53.93 2a5m s GLU 125 Cb 0.10 0.40 0.02 0.00 0.10 0.00 0.00 34.13 34.75 2a5m s GLU 125 CO 0.81 -0.42 -0.06 0.42 0.02 0.00 0.00 175.26 176.03 2a5m s ILE 126 N -3.92 0.66 -0.45 -1.63 1.01 -0.92 -4.90 121.20 111.04 2a5m s ILE 126 Ca 0.13 -0.19 0.12 0.00 0.00 0.00 0.00 60.65 60.70 2a5m s ILE 126 Cb 0.03 -0.66 -0.14 0.00 0.01 0.00 0.00 42.46 41.69 2a5m s ILE 126 CO -0.03 0.25 0.46 1.41 0.00 0.00 0.00 174.94 177.03 2a5m n HIS 127 N 4.03 0.00 -3.48 3.97 8.25 -1.25 -4.70 115.22 122.04 2a5m n HIS 127 Ca -0.24 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.07 2a5m n HIS 127 Cb 0.51 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.52 2a5m n HIS 127 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2a5m s SER 128 N -2.41 -0.62 -0.23 0.41 1.04 -1.25 -2.98 113.70 107.67 2a5m s SER 128 Ca 0.03 0.40 -0.27 0.00 0.48 0.00 0.00 55.95 56.59 2a5m s SER 128 Cb 0.09 0.56 0.11 0.00 0.10 0.00 0.00 66.02 66.88 2a5m s SER 128 CO 0.50 -0.76 0.94 0.00 0.98 0.00 0.00 173.24 174.89 2a5m s LYS 130 N -0.17 1.75 -0.11 0.00 2.20 -0.56 -1.47 119.74 121.37 2a5m s LYS 130 Ca 0.00 -1.65 -0.00 0.00 -0.36 0.00 0.00 55.97 53.96 2a5m s LYS 130 Cb -0.04 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 2a5m s LYS 130 CO -0.02 -0.80 -0.10 0.54 -0.36 0.00 0.00 175.35 174.62 2a5m s VAL 131 N 1.00 3.40 -0.52 4.02 0.11 -1.26 -2.95 120.40 124.20 2a5m s VAL 131 Ca 0.03 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 2a5m s VAL 131 Cb -0.19 -2.42 0.14 0.00 -1.53 0.00 0.00 36.38 32.38 2a5m s VAL 131 CO -0.07 0.54 0.30 -0.69 -3.33 0.00 0.00 175.10 171.85 2a5m s VAL 132 N -0.08 2.04 0.16 2.04 1.01 -1.26 -3.99 120.40 120.32 2a5m s VAL 132 Ca -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 61.98 58.81 2a5m s VAL 132 Cb -0.14 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2a5m s VAL 132 CO 0.03 -0.90 0.00 -0.62 0.00 0.00 0.00 175.10 173.61 2a5m n GLU 133 N 3.04 0.00 0.00 2.72 -0.58 -1.26 -4.80 120.64 119.76 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 0.44 0.55 2.65 0.62 0.00 -1.26 -4.73 105.19 103.46 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 -1.27 2.45 -4.58 2.61 -2.24 -1.26 -4.83 114.28 105.16 2a5m n THR 135 Ca 0.00 -5.06 -0.22 0.00 -2.27 0.00 0.00 64.05 56.51 2a5m n THR 135 Cb 0.00 -1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 66.92 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 -3.44 1.17 -0.02 4.78 0.52 -1.26 0.29 118.94 120.98 2a5m s TRP 136 Ca 0.47 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 56.42 2a5m s TRP 136 Cb 0.36 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.89 2a5m s TRP 136 CO -0.15 -0.04 -0.24 0.42 0.02 0.00 0.00 176.95 176.96 2a5m s ILE 137 N -0.21 1.87 -0.03 2.03 1.01 -0.48 -1.84 121.20 123.56 2a5m s ILE 137 Ca 0.03 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2a5m s ILE 137 Cb -0.06 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2a5m s ILE 137 CO -0.00 0.53 -0.10 -0.36 0.00 0.00 0.00 174.94 175.01 2a5m s PHE 138 N -0.53 2.83 0.02 3.97 0.40 -0.10 -1.38 117.98 123.20 2a5m s PHE 138 Ca 0.08 -0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.42 2a5m s PHE 138 Cb -0.09 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2a5m s PHE 138 CO -0.01 0.30 -0.23 0.71 0.70 0.00 0.00 175.22 176.69 2a5m s TYR 139 N -0.86 2.03 0.21 0.36 1.51 0.21 -0.49 117.35 120.34 2a5m s TYR 139 Ca 0.14 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2a5m s TYR 139 Cb -0.11 -1.24 0.15 0.00 -0.11 0.00 0.00 41.96 40.64 2a5m s TYR 139 CO 0.03 0.06 1.49 1.49 -1.11 0.00 0.00 175.55 177.51 2a5m h GLU 140 N 5.07 0.09 -6.39 -0.62 4.81 -1.33 -1.75 114.58 114.46 2a5m h GLU 140 Ca -0.43 -0.08 -0.61 0.00 -0.13 0.00 0.00 59.36 58.10 2a5m h GLU 140 Cb 1.15 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 140 CO 0.45 0.79 -0.72 -0.51 -0.73 0.00 0.00 179.01 178.29 2a5m s LEU 141 N -7.46 2.94 1.10 1.64 1.43 -0.09 -3.10 118.68 115.13 2a5m s LEU 141 Ca -0.02 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 2a5m s LEU 141 Cb 0.11 -1.58 0.21 0.00 0.03 0.00 0.00 46.19 44.96 2a5m s LEU 141 CO 0.80 0.08 0.80 -0.81 0.23 0.00 0.00 176.35 177.45 2a5m n PRO 142 N -0.16 -1.78 -2.55 1.29 -0.04 -1.26 -2.51 135.00 127.99 2a5m n PRO 142 Ca -0.10 -0.48 -0.21 0.00 -0.04 0.00 0.00 63.50 62.67 2a5m n PRO 142 Cb 0.56 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 -3.94 -6.00 -3.47 3.54 5.15 -0.87 -2.85 115.26 106.83 2a5m n ASN 143 Ca 0.05 -0.09 -0.18 0.00 -0.60 0.00 0.00 54.58 53.76 2a5m n ASN 143 Cb 0.55 -4.95 0.08 0.00 -0.53 0.00 0.00 39.78 34.93 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 -4.15 -2.16 -4.43 1.20 4.01 -1.23 -5.02 117.16 105.38 2a5m n TYR 144 Ca -0.22 0.91 -0.21 0.00 -0.16 0.00 0.00 57.90 58.22 2a5m n TYR 144 Cb 0.67 -4.84 -0.10 0.00 -0.31 0.00 0.00 39.34 34.76 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 -5.38 1.56 0.90 -0.72 1.81 -1.04 -5.02 118.95 111.05 2a5m s ARG 145 Ca 0.05 -1.81 0.00 0.00 -1.72 0.00 0.00 55.73 52.26 2a5m s ARG 145 Cb -0.01 -1.11 0.00 0.00 -0.45 0.00 0.00 34.95 33.39 2a5m s ARG 145 CO 0.75 -0.00 0.00 0.41 -0.68 0.00 0.00 175.30 175.78 2a5m n GLY 146 N -0.60 -1.81 3.77 -3.53 0.00 -1.26 -0.92 105.19 100.84 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 4.24 0.07 1.61 3.52 -1.26 -4.71 118.95 122.42 2a5m s ARG 147 Ca 0.00 2.01 0.06 0.00 -0.13 0.00 0.00 55.73 57.67 2a5m s ARG 147 Cb 0.00 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 2a5m s ARG 147 CO 0.00 -0.21 -0.10 -0.65 -0.81 0.00 0.00 175.30 173.53 2a5m s GLN 148 N -1.97 2.25 -0.06 5.12 -0.21 -1.25 -1.59 119.66 121.95 2a5m s GLN 148 Ca 0.52 -0.93 0.04 0.00 0.02 0.00 0.00 55.36 55.01 2a5m s GLN 148 Cb -0.35 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.31 2a5m s GLN 148 CO 0.45 0.54 -0.19 0.71 -2.12 0.00 0.00 175.29 174.68 2a5m s TYR 149 N -1.12 1.97 -0.25 0.91 1.51 0.36 -4.54 117.35 116.19 2a5m s TYR 149 Ca 0.20 -0.66 -0.14 0.00 -1.01 0.00 0.00 57.07 55.46 2a5m s TYR 149 Cb -0.11 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2a5m s TYR 149 CO 0.11 -0.25 0.32 -1.17 -1.11 0.00 0.00 175.55 173.45 2a5m s LEU 150 N 0.18 4.07 0.14 -1.29 2.96 -1.26 -0.92 118.68 122.55 2a5m s LEU 150 Ca -0.09 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.98 2a5m s LEU 150 Cb -0.14 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 2a5m s LEU 150 CO 0.04 -0.10 0.46 -0.76 -1.32 0.00 0.00 176.35 174.67 2a5m s LEU 151 N 1.72 4.30 0.00 -0.68 1.43 -0.76 -5.02 118.68 119.66 2a5m s LEU 151 Ca 0.13 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 2a5m s LEU 151 Cb -0.15 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.83 2a5m s LEU 151 CO 0.09 0.09 0.07 0.47 0.23 0.00 0.00 176.35 177.29 2a5m n ASP 152 N 0.54 1.12 -0.98 2.29 8.00 -1.26 -4.21 116.55 122.05 2a5m n ASP 152 Ca -0.05 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.18 2a5m n ASP 152 Cb 0.52 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.76 0.77 -4.08 -1.24 2.85 -1.26 -4.31 118.16 110.13 2a5m n LYS 153 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 2a5m n LYS 153 Cb 0.09 -1.12 -0.06 0.00 -0.65 0.00 0.00 35.03 33.28 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 0.18 2.25 -0.13 -1.58 1.02 -1.26 -4.82 119.74 115.41 2a5m s LYS 154 Ca 0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 55.97 54.10 2a5m s LYS 154 Cb 0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 2a5m s LYS 154 CO 0.00 -0.17 0.02 -1.83 -0.92 0.00 0.00 175.35 172.45 2a5m s GLU 155 N -3.95 3.42 -0.36 1.68 -1.05 -1.26 -4.09 118.70 113.10 2a5m s GLU 155 Ca 0.40 -0.39 -0.13 0.00 -0.15 0.00 0.00 54.97 54.70 2a5m s GLU 155 Cb 0.03 -2.96 -0.01 0.00 -0.44 0.00 0.00 34.13 30.75 2a5m s GLU 155 CO 0.22 0.51 0.25 0.71 0.95 0.00 0.00 175.26 177.90 2a5m s TYR 156 N -0.32 3.23 -0.06 4.83 1.51 -0.54 -4.95 117.35 121.05 2a5m s TYR 156 Ca 0.07 -0.33 0.14 0.00 -1.01 0.00 0.00 57.07 55.94 2a5m s TYR 156 Cb -0.12 -2.50 -0.18 0.00 -0.11 0.00 0.00 41.96 39.05 2a5m s TYR 156 CO 0.02 -0.42 0.83 0.07 -1.11 0.00 0.00 175.55 174.93 2a5m h ARG 157 N 8.52 0.00 -5.98 -0.62 0.11 -1.85 -1.90 114.38 112.66 2a5m h ARG 157 Ca -0.30 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.25 2a5m h ARG 157 Cb 1.15 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.05 2a5m h ARG 157 CO 0.66 0.47 -0.78 0.15 0.10 0.00 0.00 179.97 180.56 2a5m s LYS 158 N -2.75 1.30 0.24 0.08 1.02 -1.25 -1.15 119.74 117.23 2a5m s LYS 158 Ca -0.03 -1.42 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 2a5m s LYS 158 Cb 0.08 -1.37 0.25 0.00 -0.52 0.00 0.00 37.83 36.28 2a5m s LYS 158 CO 0.81 0.28 1.85 -1.00 -0.92 0.00 0.00 175.35 176.38 2a5m h PRO 159 N 3.23 1.18 0.00 -1.68 0.13 -1.85 -1.67 132.00 131.35 2a5m h PRO 159 Ca -0.42 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2a5m h PRO 159 Cb 1.21 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2a5m h PRO 159 CO 0.51 0.89 0.00 0.28 -0.23 0.00 0.00 178.00 179.44 2a5m h VAL 160 N 1.17 0.00 0.00 1.56 2.07 -1.92 -2.37 116.25 116.76 2a5m h VAL 160 Ca 0.29 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2a5m h VAL 160 Cb 0.08 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2a5m h VAL 160 CO -0.04 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.99 2a5m h ASP 161 N 0.00 0.00 -0.59 0.57 5.19 -1.60 -2.23 116.42 117.77 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2a5m h ASP 161 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -3.12 0.00 0.00 179.24 173.45 2a5m n TRP 162 N -2.97 1.54 -0.77 4.55 2.14 -0.89 -4.92 117.44 116.13 2a5m n TRP 162 Ca -0.01 -0.66 0.00 0.00 2.07 0.00 0.00 57.50 58.91 2a5m n TRP 162 Cb 0.20 -0.31 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 0.84 0.61 3.86 -1.67 0.00 -0.84 -4.73 105.19 103.26 2a5m n GLY 163 Ca 0.25 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 3.82 -1.28 4.61 0.00 -1.25 -4.98 121.76 120.67 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 -1.89 1.04 0.00 0.00 0.00 0.00 23.12 22.27 2a5m s ALA 164 CO 0.00 0.64 1.76 0.00 0.00 0.00 0.00 175.76 178.16 2a5m n ALA 165 N 1.83 2.83 -3.04 0.00 0.00 -1.26 -3.84 120.51 117.03 2a5m n ALA 165 Ca -0.18 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2a5m n ALA 165 Cb 0.54 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.77 0.14 0.00 0.00 0.01 -1.26 -4.98 113.70 104.84 2a5m s SER 166 Ca 0.20 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2a5m s SER 166 Cb 0.19 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2a5m s SER 166 CO 0.55 -0.33 0.45 -0.81 0.41 0.00 0.00 173.24 173.51 2a5m n PRO 167 N 1.53 0.77 -2.77 12.44 -0.04 -1.26 -4.81 135.00 140.85 2a5m n PRO 167 Ca -0.23 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 2a5m n PRO 167 Cb 0.55 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.18 3.55 -0.13 0.55 0.00 -1.26 -2.17 121.76 121.11 2a5m s ALA 168 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 2a5m s ALA 168 Cb 0.00 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.80 2a5m s ALA 168 CO 0.00 -0.78 0.30 0.42 0.00 0.00 0.00 175.76 175.70 2a5m s ILE 169 N 2.47 -0.21 -0.13 0.00 1.01 -1.26 -4.69 121.20 118.39 2a5m s ILE 169 Ca 0.42 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.33 2a5m s ILE 169 Cb -0.16 -0.47 -0.09 0.00 0.01 0.00 0.00 42.46 41.75 2a5m s ILE 169 CO 0.12 0.08 0.20 0.00 0.00 0.00 0.00 174.94 175.34 2a5m n GLN 170 N 4.71 1.98 -3.53 2.79 1.13 -0.69 -4.75 117.38 119.02 2a5m n GLN 170 Ca -0.17 -0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 54.73 2a5m n GLN 170 Cb 0.52 -1.03 -0.04 0.00 0.11 0.00 0.00 30.24 29.80 2a5m n GLN 170 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2a5m s SER 171 N -2.35 -0.43 0.04 1.08 1.04 -1.04 -0.53 113.70 111.52 2a5m s SER 171 Ca -0.01 -0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.17 2a5m s SER 171 Cb 0.05 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2a5m s SER 171 CO 0.28 -0.88 0.40 0.72 0.98 0.00 0.00 173.24 174.74 2a5m s PHE 172 N -3.52 -0.25 0.01 5.02 -0.12 -0.88 0.68 117.98 118.92 2a5m s PHE 172 Ca 0.01 0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 57.03 2a5m s PHE 172 Cb 0.00 0.20 -0.00 0.00 -0.63 0.00 0.00 43.02 42.59 2a5m s PHE 172 CO -0.10 -0.56 0.12 1.03 -0.05 0.00 0.00 175.22 175.65 2a5m s ARG 173 N -2.44 0.48 0.18 1.99 0.52 -0.48 -1.83 118.95 117.37 2a5m s ARG 173 Ca -0.06 -0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 54.50 2a5m s ARG 173 Cb -0.01 0.20 -0.08 0.00 0.52 0.00 0.00 34.95 35.58 2a5m s ARG 173 CO -0.02 -0.11 0.67 -0.98 0.02 0.00 0.00 175.30 174.88 2a5m s ARG 174 N -1.54 4.23 -0.17 3.54 1.70 -1.26 -1.38 118.95 124.07 2a5m s ARG 174 Ca -0.14 0.81 -0.15 0.00 -0.47 0.00 0.00 55.73 55.78 2a5m s ARG 174 Cb -0.07 -2.99 -0.04 0.00 -0.57 0.00 0.00 34.95 31.28 2a5m s ARG 174 CO 0.01 0.47 0.37 0.42 -1.08 0.00 0.00 175.30 175.48 2a5m s ILE 175 N -1.41 5.24 0.03 4.99 1.01 0.14 -4.94 121.20 126.26 2a5m s ILE 175 Ca 0.39 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.74 2a5m s ILE 175 Cb -0.18 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2a5m s ILE 175 CO 0.21 0.32 -0.06 0.54 0.00 0.00 0.00 174.94 175.95 2a5m s VAL 176 N 0.86 0.39 0.00 2.92 0.11 -1.26 -4.86 120.40 118.56 2a5m s VAL 176 Ca 0.19 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2a5m s VAL 176 Cb -0.14 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2a5m s VAL 176 CO 0.07 -0.27 0.00 1.21 -3.33 0.00 0.00 175.10 172.77