#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5m s LYS 2 N 0.00 3.19 0.00 -1.46 1.02 -1.26 -4.91 119.74 116.32 2a5m s LYS 2 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2a5m s LYS 2 Cb 0.00 -5.00 0.00 0.00 -0.52 0.00 0.00 37.83 32.31 2a5m s LYS 2 CO 0.00 -2.52 0.00 0.25 -0.92 0.00 0.00 175.35 172.16 2a5m n THR 3 N 7.06 0.00 0.00 2.17 -2.24 -1.26 -5.12 114.28 114.89 2a5m n THR 3 Ca 0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2a5m n THR 3 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2a5m n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5m n GLY 4 N 5.00 -1.68 3.80 3.38 0.00 -1.26 -5.15 105.19 109.28 2a5m n GLY 4 Ca 0.00 0.97 -0.34 0.00 0.00 0.00 0.00 46.02 46.64 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 2.51 -0.15 -0.02 0.00 -1.26 -4.74 107.32 103.66 2a5m s GLY 5 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 44.72 45.11 2a5m s GLY 5 CO 0.00 0.83 0.39 1.25 0.00 0.00 0.00 173.10 175.57 2a5m s LYS 6 N -2.98 0.42 -0.01 2.90 2.20 -0.72 -4.52 119.74 117.02 2a5m s LYS 6 Ca 0.62 0.61 0.04 0.00 -0.36 0.00 0.00 55.97 56.87 2a5m s LYS 6 Cb -0.14 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 2a5m s LYS 6 CO 0.18 -0.09 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.45 2a5m s ILE 7 N 0.59 1.06 -0.09 5.43 2.07 -0.77 -0.96 121.20 128.54 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 -0.89 0.00 0.00 0.13 0.00 0.00 42.46 41.66 2a5m s ILE 7 CO -0.04 0.28 -0.21 -0.55 -1.91 0.00 0.00 174.94 172.51 2a5m s SER 8 N -0.37 2.81 -0.07 4.50 0.15 0.98 -1.38 113.70 120.30 2a5m s SER 8 Ca 0.05 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2a5m s SER 8 Cb -0.05 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 2a5m s SER 8 CO -0.00 0.13 -0.05 -0.36 1.20 0.00 0.00 173.24 174.15 2a5m s PHE 9 N 0.41 2.99 -0.03 3.44 0.40 -0.02 -0.08 117.98 125.10 2a5m s PHE 9 Ca -0.18 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.28 2a5m s PHE 9 Cb -0.18 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2a5m s PHE 9 CO 0.08 0.36 -0.23 0.71 0.70 0.00 0.00 175.22 176.84 2a5m s TYR 10 N -0.82 2.12 0.32 0.36 1.51 -0.44 -0.96 117.35 119.44 2a5m s TYR 10 Ca 0.13 -0.47 0.18 0.00 -1.01 0.00 0.00 57.07 55.90 2a5m s TYR 10 Cb -0.11 -1.37 0.88 0.00 -0.11 0.00 0.00 41.96 41.24 2a5m s TYR 10 CO 0.02 -0.08 1.86 0.93 -1.11 0.00 0.00 175.55 177.16 2a5m h GLU 11 N 5.72 0.00 -5.86 -0.62 5.08 -1.38 -0.98 114.58 116.55 2a5m h GLU 11 Ca -0.38 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.40 2a5m h GLU 11 Cb 1.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2a5m h GLU 11 CO 0.47 0.32 -0.50 0.34 -1.00 0.00 0.00 179.01 178.64 2a5m s ASP 12 N -6.61 4.36 0.72 1.42 2.15 -0.52 -3.69 116.67 114.50 2a5m s ASP 12 Ca -0.02 -1.13 -0.11 0.00 0.43 0.00 0.00 52.55 51.72 2a5m s ASP 12 Cb 0.13 -0.43 0.02 0.00 -0.30 0.00 0.00 42.92 42.35 2a5m s ASP 12 CO 0.68 -0.55 1.07 -0.13 -0.17 0.00 0.00 175.17 176.07 2a5m s ARG 13 N -3.89 2.75 -1.34 4.34 0.52 -1.26 -3.58 118.95 116.48 2a5m s ARG 13 Ca 0.39 0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 56.42 2a5m s ARG 13 Cb 0.04 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2a5m s ARG 13 CO 0.22 -1.20 0.50 0.09 0.02 0.00 0.00 175.30 174.92 2a5m n ASN 14 N -3.18 -5.47 -4.05 0.23 4.13 0.19 -2.47 115.26 104.64 2a5m n ASN 14 Ca 0.07 -0.24 -0.32 0.00 1.68 0.00 0.00 54.58 55.78 2a5m n ASN 14 Cb 0.54 -4.31 -0.01 0.00 -1.54 0.00 0.00 39.78 34.46 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2a5m n PHE 15 N -4.32 -1.92 -3.92 3.10 1.16 -1.25 -4.97 117.46 105.34 2a5m n PHE 15 Ca -0.10 0.83 -0.22 0.00 -1.87 0.00 0.00 57.45 56.08 2a5m n PHE 15 Cb 0.61 -3.51 -0.05 0.00 -1.61 0.00 0.00 39.48 34.92 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 -6.71 2.51 0.63 3.97 -0.21 -1.03 -5.00 119.66 113.82 2a5m s GLN 16 Ca 0.54 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.45 2a5m s GLN 16 Cb -0.28 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.42 2a5m s GLN 16 CO 0.88 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 174.51 2a5m n GLY 17 N -1.29 -1.87 3.77 3.09 0.00 -1.26 -1.44 105.19 106.20 2a5m n GLY 17 Ca -0.02 -1.71 -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 3.90 0.12 1.61 3.52 -1.26 -4.74 118.95 122.10 2a5m s ARG 18 Ca 0.00 1.81 0.11 0.00 -0.13 0.00 0.00 55.73 57.51 2a5m s ARG 18 Cb 0.00 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 2a5m s ARG 18 CO 0.00 -0.44 -0.26 0.50 -0.81 0.00 0.00 175.30 174.28 2a5m s ARG 19 N -2.51 1.43 -0.06 5.12 3.52 -1.26 -1.48 118.95 123.70 2a5m s ARG 19 Ca 0.60 -1.30 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 2a5m s ARG 19 Cb -0.30 -1.87 0.02 0.00 -1.56 0.00 0.00 34.95 31.24 2a5m s ARG 19 CO 0.37 0.45 -0.07 -0.47 -0.81 0.00 0.00 175.30 174.77 2a5m s TYR 20 N -1.03 1.06 -0.08 5.12 5.04 -0.13 -4.97 117.35 122.35 2a5m s TYR 20 Ca 0.13 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2a5m s TYR 20 Cb -0.10 -0.89 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 2a5m s TYR 20 CO 0.05 -0.29 -0.10 -0.51 -1.34 0.00 0.00 175.55 173.36 2a5m s ASP 21 N 1.10 4.32 -0.02 4.32 1.11 -1.26 -0.84 116.67 125.40 2a5m s ASP 21 Ca -0.08 -0.16 0.03 0.00 0.18 0.00 0.00 52.55 52.53 2a5m s ASP 21 Cb -0.14 -1.22 -0.00 0.00 1.07 0.00 0.00 42.92 42.62 2a5m s ASP 21 CO -0.01 0.29 -0.11 0.00 1.18 0.00 0.00 175.17 176.52 2a5m n ASP 23 N 3.02 2.38 -3.50 0.00 8.00 -1.26 -1.84 116.55 123.35 2a5m n ASP 23 Ca -0.16 -2.07 -0.09 0.00 0.71 0.00 0.00 54.79 53.18 2a5m n ASP 23 Cb 0.55 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.53 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a5m s ASP 25 N -3.02 5.64 -0.13 0.00 1.47 -1.26 -4.76 116.67 114.61 2a5m s ASP 25 Ca 0.16 2.85 -0.01 0.00 1.18 0.00 0.00 52.55 56.73 2a5m s ASP 25 Cb -0.04 -2.65 0.04 0.00 -0.34 0.00 0.00 42.92 39.93 2a5m s ASP 25 CO 0.10 -1.33 -0.03 0.00 0.68 0.00 0.00 175.17 174.59 2a5m h ALA 27 N 8.20 0.75 -1.59 0.00 0.00 -1.90 -1.56 119.26 123.17 2a5m h ALA 27 Ca -0.23 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 2a5m h ALA 27 Cb 1.12 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.56 2a5m h ALA 27 CO 0.36 0.63 -0.51 0.34 0.00 0.00 0.00 179.25 180.08 2a5m s ASP 28 N -6.47 0.03 0.00 0.00 2.15 -1.26 -3.67 116.67 107.45 2a5m s ASP 28 Ca 0.02 -0.25 0.18 0.00 0.43 0.00 0.00 52.55 52.93 2a5m s ASP 28 Cb 0.09 1.27 0.49 0.00 -0.30 0.00 0.00 42.92 44.47 2a5m s ASP 28 CO 0.73 -0.34 1.41 2.22 -0.17 0.00 0.00 175.17 179.02 2a5m n PHE 29 N 5.37 0.73 0.28 -5.34 -1.74 -1.24 -4.49 117.46 111.02 2a5m n PHE 29 Ca 0.01 -0.46 0.17 0.00 -0.56 0.00 0.00 57.45 56.61 2a5m n PHE 29 Cb 0.50 -0.01 0.95 0.00 1.52 0.00 0.00 39.48 42.44 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 3.47 0.00 0.00 3.97 3.08 -1.80 0.24 114.38 123.34 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 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2a5m h ARG 30 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 179.67 2a5m h SER 31 N 0.00 0.00 0.00 7.04 0.02 -1.99 -3.12 113.55 115.50 2a5m h SER 31 Ca 0.03 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2a5m h SER 31 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2a5m h SER 31 CO -0.00 0.00 -1.89 -1.22 -1.14 0.00 0.00 176.83 172.58 2a5m n TYR 32 N -2.59 0.00 -3.70 3.45 4.01 -0.00 -4.95 117.16 113.38 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 -0.50 -0.11 0.00 -0.31 0.00 0.00 39.34 38.77 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 -4.45 -0.03 0.00 7.72 2.96 -0.76 -4.84 118.68 119.27 2a5m s LEU 33 Ca -0.07 0.79 0.27 0.00 -0.22 0.00 0.00 54.13 54.90 2a5m s LEU 33 Cb 0.10 1.16 0.86 0.00 0.50 0.00 0.00 46.19 48.80 2a5m s LEU 33 CO 0.73 -0.19 1.66 -1.54 -1.32 0.00 0.00 176.35 175.69 2a5m n SER 34 N 4.43 0.27 -3.59 3.68 3.41 -1.26 -4.18 113.62 116.38 2a5m n SER 34 Ca -0.21 0.08 -0.04 0.00 -0.26 0.00 0.00 58.87 58.43 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 0.00 -0.16 0.00 0.00 175.04 174.88 2a5m s ARG 35 N -2.99 0.58 -0.13 4.33 1.04 -1.26 -4.95 118.95 115.57 2a5m s ARG 35 Ca 0.13 -0.25 -0.04 0.00 -1.04 0.00 0.00 55.73 54.53 2a5m s ARG 35 Cb 0.18 0.24 0.06 0.00 -2.04 0.00 0.00 34.95 33.39 2a5m s ARG 35 CO 0.62 -0.26 0.15 0.00 -0.04 0.00 0.00 175.30 175.77 2a5m n ASN 37 N 5.31 2.23 -3.57 0.00 4.13 -0.38 -4.48 115.26 118.49 2a5m n ASN 37 Ca -0.05 -1.61 -0.15 0.00 1.68 0.00 0.00 54.58 54.46 2a5m n ASN 37 Cb 0.50 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.65 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2a5m s SER 38 N -1.12 -0.47 -0.01 6.41 0.15 -1.18 0.10 113.70 117.57 2a5m s SER 38 Ca 0.17 0.28 -0.08 0.00 0.70 0.00 0.00 55.95 57.03 2a5m s SER 38 Cb 0.12 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.92 2a5m s SER 38 CO 0.17 -0.68 0.16 -0.63 1.20 0.00 0.00 173.24 173.46 2a5m s ILE 39 N -2.11 0.07 -0.12 6.45 1.01 -0.77 -1.33 121.20 124.40 2a5m s ILE 39 Ca -0.07 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.04 2a5m s ILE 39 Cb -0.01 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.06 2a5m s ILE 39 CO 0.01 -0.30 -0.16 -0.60 0.00 0.00 0.00 174.94 173.89 2a5m s ARG 40 N -1.11 2.29 -0.32 2.79 3.52 0.89 -0.88 118.95 126.13 2a5m s ARG 40 Ca -0.12 -0.58 -0.09 0.00 -0.13 0.00 0.00 55.73 54.80 2a5m s ARG 40 Cb -0.06 -1.96 0.01 0.00 -1.56 0.00 0.00 34.95 31.37 2a5m s ARG 40 CO 0.02 -0.08 0.15 0.08 -0.81 0.00 0.00 175.30 174.65 2a5m s VAL 41 N 1.04 4.42 0.02 7.11 1.01 0.11 -0.02 120.40 134.10 2a5m s VAL 41 Ca -0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2a5m s VAL 41 Cb -0.15 -3.31 -0.27 0.00 0.00 0.00 0.00 36.38 32.65 2a5m s VAL 41 CO -0.03 -0.00 0.93 -0.08 0.00 0.00 0.00 175.10 175.92 2a5m h GLU 42 N 8.34 0.20 -1.90 2.72 4.57 -1.28 -1.83 114.58 125.39 2a5m h GLU 42 Ca -0.30 -0.34 -0.03 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 0.62 1.06 0.26 0.20 -1.18 0.00 0.00 179.01 179.98 2a5m s GLY 43 N -4.89 -0.51 0.00 1.92 0.00 -1.15 -4.84 107.32 97.86 2a5m s GLY 43 Ca -0.07 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.18 2a5m s GLY 43 CO 0.85 1.03 0.00 0.61 0.00 0.00 0.00 173.10 175.59 2a5m n GLY 44 N 0.99 -1.18 3.27 0.20 0.00 -1.26 -1.76 105.19 105.46 2a5m n GLY 44 Ca -0.17 -1.62 -0.31 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 -1.67 2.05 0.16 2.61 2.01 -1.26 -2.93 115.64 116.61 2a5m s THR 45 Ca 0.00 -1.07 0.08 0.00 0.31 0.00 0.00 61.69 61.01 2a5m s THR 45 Cb 0.00 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2a5m s THR 45 CO 0.00 0.57 -0.18 0.26 -0.69 0.00 0.00 174.62 174.58 2a5m s TRP 46 N -0.24 1.80 -0.13 4.92 0.52 -0.60 0.99 118.94 126.20 2a5m s TRP 46 Ca -0.01 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 55.61 2a5m s TRP 46 Cb -0.13 -0.91 -0.03 0.00 -1.15 0.00 0.00 33.47 31.25 2a5m s TRP 46 CO 0.03 0.31 -0.02 0.00 0.02 0.00 0.00 176.95 177.29 2a5m s ALA 47 N -1.93 3.11 -0.02 0.98 0.00 0.35 0.18 121.76 124.43 2a5m s ALA 47 Ca 0.14 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.34 2a5m s ALA 47 Cb -0.06 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2a5m s ALA 47 CO 0.06 0.34 -0.18 0.14 0.00 0.00 0.00 175.76 176.12 2a5m s VAL 48 N -0.06 2.72 0.03 0.00 -7.23 -0.31 -0.90 120.40 114.64 2a5m s VAL 48 Ca 0.03 -0.93 0.09 0.00 -1.81 0.00 0.00 61.98 59.35 2a5m s VAL 48 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2a5m s VAL 48 CO 0.02 0.54 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.78 2a5m s TYR 49 N -0.74 2.26 0.29 2.82 1.51 0.37 -1.78 117.35 122.08 2a5m s TYR 49 Ca 0.12 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2a5m s TYR 49 Cb -0.10 -1.37 0.43 0.00 -0.11 0.00 0.00 41.96 40.80 2a5m s TYR 49 CO 0.01 0.09 1.76 1.49 -1.11 0.00 0.00 175.55 177.79 2a5m h GLU 50 N 4.94 0.57 -6.05 -0.62 4.57 -1.35 -1.20 114.58 115.44 2a5m h GLU 50 Ca -0.45 -0.18 -0.56 0.00 -1.18 0.00 0.00 59.36 56.99 2a5m h GLU 50 Cb 1.14 -0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 29.52 2a5m h GLU 50 CO 0.44 0.70 -0.77 1.03 -1.18 0.00 0.00 179.01 179.23 2a5m s ARG 51 N -4.72 1.48 1.08 1.92 3.00 -0.74 -2.36 118.95 118.61 2a5m s ARG 51 Ca -0.08 -1.61 -0.15 0.00 0.00 0.00 0.00 55.73 53.89 2a5m s ARG 51 Cb 0.14 -1.52 0.14 0.00 0.00 0.00 0.00 34.95 33.71 2a5m s ARG 51 CO 0.79 0.29 0.40 -0.35 0.00 0.00 0.00 175.30 176.44 2a5m n PRO 52 N -0.22 -1.44 -3.14 3.54 -0.04 -1.26 -2.87 135.00 129.57 2a5m n PRO 52 Ca -0.09 -0.39 -0.20 0.00 -0.04 0.00 0.00 63.50 62.79 2a5m n PRO 52 Cb 0.59 -1.89 0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.53 -5.58 -4.06 3.54 5.15 -1.24 -3.10 115.26 107.44 2a5m n ASN 53 Ca 0.03 -0.34 -0.31 0.00 -0.60 0.00 0.00 54.58 53.36 2a5m n ASN 53 Cb 0.58 -4.31 -0.03 0.00 -0.53 0.00 0.00 39.78 35.48 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 -4.47 -1.51 -4.40 1.20 3.72 -1.25 -4.96 117.46 105.80 2a5m n PHE 54 Ca -0.05 0.57 -0.20 0.00 -0.05 0.00 0.00 57.45 57.72 2a5m n PHE 54 Cb 0.58 -3.27 -0.10 0.00 -0.94 0.00 0.00 39.48 35.75 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 -4.16 2.63 0.00 4.37 0.15 -1.14 -5.05 113.70 110.51 2a5m s SER 55 Ca 0.13 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2a5m s SER 55 Cb -0.06 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2a5m s SER 55 CO 0.93 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.67 2a5m n GLY 56 N -0.52 -1.70 3.76 9.45 0.00 -1.26 -1.80 105.19 113.11 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 3.03 -0.05 1.61 3.76 -1.26 -4.70 115.29 117.68 2a5m s HIS 57 Ca 0.00 1.23 0.06 0.00 -0.15 0.00 0.00 55.06 56.21 2a5m s HIS 57 Cb 0.00 -3.74 -0.01 0.00 1.11 0.00 0.00 32.58 29.93 2a5m s HIS 57 CO 0.00 -2.23 -0.24 0.00 -0.85 0.00 0.00 174.74 171.42 2a5m s MET 58 N -1.10 2.28 0.01 1.40 0.00 -1.26 -1.62 119.30 119.01 2a5m s MET 58 Ca 0.54 -0.85 0.03 0.00 0.00 0.00 0.00 55.69 55.41 2a5m s MET 58 Cb -0.41 -2.00 -0.01 0.00 0.00 0.00 0.00 34.83 32.41 2a5m s MET 58 CO 0.48 0.40 -0.09 0.71 0.00 0.00 0.00 175.02 176.52 2a5m s TYR 59 N -0.24 0.81 -0.13 3.16 2.02 -0.73 -3.81 117.35 118.43 2a5m s TYR 59 Ca -0.00 -0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 56.35 2a5m s TYR 59 Cb -0.12 -0.51 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 2a5m s TYR 59 CO 0.02 -0.01 0.29 0.42 -1.57 0.00 0.00 175.55 174.70 2a5m s ILE 60 N -0.43 5.29 -0.25 2.71 -1.09 -1.26 -1.16 121.20 125.00 2a5m s ILE 60 Ca 0.01 0.56 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 0.44 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.30 2a5m s LEU 61 N 0.09 3.22 0.89 2.97 1.43 0.13 -4.98 118.68 122.43 2a5m s LEU 61 Ca 0.17 -1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 51.80 2a5m s LEU 61 Cb -0.13 -1.44 0.13 0.00 0.03 0.00 0.00 46.19 44.77 2a5m s LEU 61 CO 0.05 -0.21 1.14 -2.16 0.23 0.00 0.00 176.35 175.41 2a5m s PRO 62 N 1.18 1.32 0.32 1.29 0.04 -1.26 -1.56 135.00 136.34 2a5m s PRO 62 Ca -0.07 0.28 -0.28 0.00 0.04 0.00 0.00 61.00 60.96 2a5m s PRO 62 Cb -0.20 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 2a5m s PRO 62 CO -0.06 -2.07 1.15 0.00 0.04 0.00 0.00 177.00 176.07 2a5m n GLN 63 N -3.68 1.75 -3.04 4.56 10.64 -1.15 -4.83 117.38 121.64 2a5m n GLN 63 Ca 0.07 0.61 0.00 0.00 -1.83 0.00 0.00 57.00 55.85 2a5m n GLN 63 Cb 0.59 -2.10 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2a5m n GLY 64 N 0.98 -1.67 3.25 2.61 0.00 -0.69 -4.98 105.19 104.69 2a5m n GLY 64 Ca 0.07 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 3.11 -0.42 1.61 2.12 -1.26 0.08 118.70 122.11 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 -2.36 0.11 0.00 0.26 0.00 0.00 34.13 32.14 2a5m s GLU 65 CO 0.00 0.18 0.15 0.71 -0.54 0.00 0.00 175.26 175.76 2a5m s TYR 66 N 0.35 3.38 -1.61 5.30 1.51 -0.06 -4.97 117.35 121.25 2a5m s TYR 66 Ca -0.17 -3.01 0.11 0.00 -1.01 0.00 0.00 57.07 52.99 2a5m s TYR 66 Cb -0.18 -2.80 0.60 0.00 -0.11 0.00 0.00 41.96 39.48 2a5m s TYR 66 CO 0.08 -0.85 1.21 -0.35 -1.11 0.00 0.00 175.55 174.53 2a5m n PRO 67 N 3.77 0.22 -3.56 -1.71 -0.05 -1.26 -1.85 135.00 130.56 2a5m n PRO 67 Ca 0.04 0.12 -0.14 0.00 -0.05 0.00 0.00 63.50 63.47 2a5m n PRO 67 Cb 0.38 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.27 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 -2.39 1.04 0.28 0.54 2.02 -1.26 -0.64 118.70 118.29 2a5m s GLU 68 Ca 0.13 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 2a5m s GLU 68 Cb 0.08 0.48 0.39 0.00 0.10 0.00 0.00 34.13 35.17 2a5m s GLU 68 CO 0.16 -0.37 1.94 0.10 0.02 0.00 0.00 175.26 177.11 2a5m h TYR 69 N 2.80 1.08 0.00 1.61 -0.00 0.38 -1.51 116.97 121.33 2a5m h TYR 69 Ca -0.30 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2a5m h TYR 69 Cb 1.21 -0.36 -0.00 0.00 -0.00 0.00 0.00 36.73 37.57 2a5m h TYR 69 CO 0.36 0.70 -0.01 1.96 -0.00 0.00 0.00 178.16 181.17 2a5m h GLN 70 N 1.15 0.00 0.00 0.10 4.20 -1.85 0.15 115.11 118.86 2a5m h GLN 70 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 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 -0.06 0.01 0.00 -0.09 -0.67 0.00 0.00 178.83 178.02 2a5m h ARG 71 N 0.00 0.00 -0.44 1.46 9.65 -1.66 -0.70 114.38 122.69 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 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 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 -2.81 0.75 -1.82 2.20 -0.00 0.46 -4.93 117.44 111.29 2a5m n TRP 72 Ca 0.01 -0.56 -0.20 0.00 -0.00 0.00 0.00 57.50 56.74 2a5m n TRP 72 Cb 0.25 -0.09 -0.07 0.00 -0.00 0.00 0.00 31.31 31.41 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 0.66 -1.52 -1.78 5.87 2.81 -0.27 -4.92 117.12 117.98 2a5m n MET 73 Ca 0.17 1.15 -0.38 0.00 -1.81 0.00 0.00 57.70 56.82 2a5m n MET 73 Cb 0.58 -5.61 0.04 0.00 -0.71 0.00 0.00 33.22 27.52 2a5m n MET 73 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2a5m s GLY 74 N -2.54 2.89 0.12 3.03 0.00 -0.85 -4.90 107.32 105.06 2a5m s GLY 74 Ca 0.00 1.34 0.06 0.00 0.00 0.00 0.00 44.72 46.12 2a5m s GLY 74 CO 0.00 1.86 1.28 -2.00 0.00 0.00 0.00 173.10 174.24 2a5m h LEU 75 N 1.46 0.05 0.00 0.66 5.85 -1.91 -3.43 115.31 118.00 2a5m h LEU 75 Ca -0.51 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2a5m h LEU 75 Cb 1.30 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2a5m h LEU 75 CO 0.57 1.03 0.02 -0.46 -0.34 0.00 0.00 178.44 179.26 2a5m n ASN 76 N -3.39 -0.19 -2.08 1.25 6.94 -1.26 -5.04 115.26 111.49 2a5m n ASN 76 Ca -0.01 -1.15 -0.16 0.00 -0.02 0.00 0.00 54.58 53.24 2a5m n ASN 76 Cb 0.93 0.32 0.21 0.00 -2.36 0.00 0.00 39.78 38.89 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2a5m n ASP 77 N -1.26 4.08 -4.63 0.53 5.68 -1.26 -4.92 116.55 114.76 2a5m n ASP 77 Ca -0.01 -3.37 -0.38 0.00 -0.50 0.00 0.00 54.79 50.53 2a5m n ASP 77 Cb 0.05 -0.79 -0.09 0.00 -1.14 0.00 0.00 41.12 39.16 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2a5m s ARG 78 N -2.99 4.07 -0.08 0.11 3.00 -1.26 -2.21 118.95 119.59 2a5m s ARG 78 Ca 0.53 0.01 -0.03 0.00 -1.00 0.00 0.00 55.73 55.24 2a5m s ARG 78 Cb 0.44 -3.60 0.05 0.00 0.00 0.00 0.00 34.95 31.83 2a5m s ARG 78 CO 0.11 -0.14 0.16 -0.51 0.00 0.00 0.00 175.30 174.92 2a5m s LEU 79 N 1.64 0.13 -0.01 -0.88 1.43 -1.26 -4.51 118.68 115.22 2a5m s LEU 79 Ca 0.14 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.68 2a5m s LEU 79 Cb -0.15 0.31 -0.16 0.00 0.03 0.00 0.00 46.19 46.22 2a5m s LEU 79 CO 0.08 -0.22 0.29 0.61 0.23 0.00 0.00 176.35 177.34 2a5m n GLY 80 N 5.03 -0.39 3.38 -3.19 0.00 -0.47 -4.85 105.19 104.70 2a5m n GLY 80 Ca -0.10 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.99 -0.41 -0.02 1.61 0.15 -1.11 -3.66 113.70 107.27 2a5m s SER 81 Ca -0.02 0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.62 2a5m s SER 81 Cb 0.07 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 2a5m s SER 81 CO 0.45 -0.76 0.17 0.00 1.20 0.00 0.00 173.24 174.30 2a5m s ARG 83 N -1.02 0.47 0.07 0.00 0.52 -0.08 -0.61 118.95 118.30 2a5m s ARG 83 Ca -0.11 -0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 2a5m s ARG 83 Cb -0.06 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.93 2a5m s ARG 83 CO 0.02 0.12 1.04 0.00 0.02 0.00 0.00 175.30 176.50 2a5m s ALA 84 N -0.23 3.27 -0.20 2.13 0.00 -1.26 -0.49 121.76 124.97 2a5m s ALA 84 Ca 0.01 0.66 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 2a5m s ALA 84 Cb -0.03 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2a5m s ALA 84 CO -0.00 -0.21 0.49 0.08 0.00 0.00 0.00 175.76 176.12 2a5m s VAL 85 N 0.52 5.12 -0.04 0.00 1.01 0.28 -4.88 120.40 122.41 2a5m s VAL 85 Ca 0.52 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 2a5m s VAL 85 Cb -0.25 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2a5m s VAL 85 CO 0.30 0.19 0.49 -1.00 0.00 0.00 0.00 175.10 175.08 2a5m s HIS 86 N 1.61 3.63 -0.10 5.22 3.76 -1.26 -4.08 115.29 124.08 2a5m s HIS 86 Ca 0.23 1.02 -0.10 0.00 -0.15 0.00 0.00 55.06 56.05 2a5m s HIS 86 Cb -0.15 -2.49 -0.05 0.00 1.11 0.00 0.00 32.58 31.00 2a5m s HIS 86 CO 0.09 0.37 0.24 -0.51 -0.85 0.00 0.00 174.74 174.08 2a5m s LEU 87 N -0.17 4.38 -0.18 0.89 1.43 -1.26 -4.78 118.68 118.99 2a5m s LEU 87 Ca 0.27 0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 53.93 2a5m s LEU 87 Cb -0.17 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2a5m s LEU 87 CO 0.13 0.33 -0.05 -0.44 0.23 0.00 0.00 176.35 176.55 2a5m s SER 88 N -0.75 4.48 0.00 2.29 0.01 -1.26 -5.08 113.70 113.39 2a5m s SER 88 Ca 0.17 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2a5m s SER 88 Cb -0.13 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.35 2a5m s SER 88 CO 0.06 0.09 0.00 -1.20 0.41 0.00 0.00 173.24 172.60 2a5m n SER 89 N 4.09 0.16 0.00 2.44 7.64 -1.26 -4.87 113.62 121.82 2a5m n SER 89 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2a5m n SER 89 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2a5m n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a5m n GLY 90 N 5.00 3.91 0.00 0.23 0.00 -1.26 -5.02 105.19 108.05 2a5m n GLY 90 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2a5m n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5m n GLY 91 N 0.00 -1.74 3.07 -0.02 0.00 -1.26 -5.12 105.19 100.12 2a5m n GLY 91 Ca 0.00 0.80 -0.31 0.00 0.00 0.00 0.00 46.02 46.50 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 2.64 0.03 1.61 -0.44 -1.26 -5.10 119.66 117.14 2a5m s GLN 92 Ca 0.00 -0.69 -0.30 0.00 -2.50 0.00 0.00 55.36 51.86 2a5m s GLN 92 Cb 0.00 -2.33 -0.05 0.00 -1.64 0.00 0.00 33.01 28.99 2a5m s GLN 92 CO 0.00 -0.22 1.12 0.00 0.50 0.00 0.00 175.29 176.69 2a5m s ALA 93 N 1.38 3.31 -0.01 1.58 0.00 -1.26 -5.03 121.76 121.73 2a5m s ALA 93 Ca 0.05 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2a5m s ALA 93 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2a5m s ALA 93 CO -0.12 -0.37 -0.11 0.21 0.00 0.00 0.00 175.76 175.37 2a5m s LYS 94 N 1.08 0.92 0.04 0.00 2.20 -1.26 -4.54 119.74 118.17 2a5m s LYS 94 Ca 0.56 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.83 2a5m s LYS 94 Cb -0.26 -0.88 -0.02 0.00 -1.51 0.00 0.00 37.83 35.16 2a5m s LYS 94 CO 0.28 0.23 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.86 2a5m s ILE 95 N -0.21 1.13 -0.07 5.43 2.07 -0.91 -4.20 121.20 124.44 2a5m s ILE 95 Ca 0.03 -1.00 0.05 0.00 -1.41 0.00 0.00 60.65 58.33 2a5m s ILE 95 Cb -0.05 -1.02 -0.01 0.00 0.13 0.00 0.00 42.46 41.51 2a5m s ILE 95 CO -0.00 0.02 -0.23 0.00 -1.91 0.00 0.00 174.94 172.81 2a5m s GLN 96 N -1.12 2.57 0.07 3.50 -2.07 -0.94 -1.92 119.66 119.75 2a5m s GLN 96 Ca 0.02 -0.85 0.08 0.00 -1.82 0.00 0.00 55.36 52.80 2a5m s GLN 96 Cb -0.08 -2.10 -0.03 0.00 -1.09 0.00 0.00 33.01 29.71 2a5m s GLN 96 CO 0.01 0.30 -0.22 0.14 -1.32 0.00 0.00 175.29 174.20 2a5m s VAL 97 N 0.03 1.81 0.00 3.63 -7.23 -0.33 -0.79 120.40 117.52 2a5m s VAL 97 Ca -0.08 -1.40 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 2a5m s VAL 97 Cb -0.15 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 2a5m s VAL 97 CO 0.05 0.12 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.36 2a5m s PHE 98 N -0.95 2.37 0.39 2.82 0.40 -0.83 -1.70 117.98 120.49 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 -1.48 0.82 0.00 0.51 0.00 0.00 43.02 42.78 2a5m s PHE 98 CO 0.03 0.05 1.88 1.49 0.70 0.00 0.00 175.22 179.37 2a5m h GLU 99 N 5.21 0.00 -5.87 0.44 4.81 -1.13 -3.34 114.58 114.70 2a5m h GLU 99 Ca -0.45 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.19 2a5m h GLU 99 Cb 1.13 0.00 -0.11 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 0.00 179.01 178.63 2a5m s LYS 100 N -4.32 2.09 0.92 1.92 1.02 0.16 -4.35 119.74 117.18 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 0.15 0.00 -0.52 0.00 0.00 37.83 35.75 2a5m s LYS 100 CO 0.71 -0.00 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 -2.97 107.32 96.15 2a5m s GLY 101 Ca 0.37 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 45.08 2a5m s GLY 101 CO 0.20 0.59 1.03 1.34 0.00 0.00 0.00 173.10 176.26 2a5m n ASP 102 N -4.06 -5.60 -3.66 1.64 2.03 -0.18 -2.72 116.55 104.00 2a5m n ASP 102 Ca 0.08 -0.62 -0.25 0.00 0.52 0.00 0.00 54.79 54.51 2a5m n ASP 102 Cb 0.54 -4.44 0.04 0.00 -0.72 0.00 0.00 41.12 36.54 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 -4.80 -1.95 -4.38 -0.67 3.72 -1.24 -5.00 117.46 103.13 2a5m n PHE 103 Ca 0.02 0.67 -0.19 0.00 -0.05 0.00 0.00 57.45 57.90 2a5m n PHE 103 Cb 0.55 -3.90 -0.10 0.00 -0.94 0.00 0.00 39.48 35.09 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 -3.87 2.26 0.00 4.37 0.01 -1.10 -5.01 114.94 111.60 2a5m s ASN 104 Ca 0.25 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 2a5m s ASN 104 Cb -0.08 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2a5m s ASN 104 CO 0.83 -0.46 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 2a5m n GLY 105 N -0.52 -1.80 3.78 0.66 0.00 -1.26 0.39 105.19 106.44 2a5m n GLY 105 Ca -0.05 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 4.24 -0.00 1.61 0.74 -1.26 -4.66 119.66 120.33 2a5m s GLN 106 Ca 0.00 1.61 0.06 0.00 0.05 0.00 0.00 55.36 57.08 2a5m s GLN 106 Cb 0.00 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.40 2a5m s GLN 106 CO 0.00 -0.09 -0.19 1.41 -0.55 0.00 0.00 175.29 175.87 2a5m s MET 107 N -2.26 2.21 -0.03 1.67 -2.45 -1.26 -1.23 119.30 115.96 2a5m s MET 107 Ca 0.55 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 2a5m s MET 107 Cb -0.25 -2.21 0.00 0.00 1.25 0.00 0.00 34.83 33.62 2a5m s MET 107 CO 0.31 0.57 -0.10 0.71 1.05 0.00 0.00 175.02 177.57 2a5m s TYR 108 N -0.79 1.03 -0.06 4.11 2.02 -0.69 -4.97 117.35 118.01 2a5m s TYR 108 Ca 0.12 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 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 -0.10 -0.25 -2.00 -1.57 0.00 0.00 175.55 171.65 2a5m s GLU 109 N 0.15 2.52 0.01 -0.62 -6.30 -1.26 -1.19 118.70 112.01 2a5m s GLU 109 Ca -0.03 -0.89 -0.14 0.00 -2.50 0.00 0.00 54.97 51.41 2a5m s GLU 109 Cb -0.09 -2.14 0.02 0.00 0.00 0.00 0.00 34.13 31.93 2a5m s GLU 109 CO 0.01 0.38 0.29 -0.08 0.02 0.00 0.00 175.26 175.87 2a5m s THR 110 N -0.16 0.07 -0.96 -1.70 -1.32 -0.81 -5.00 115.64 105.76 2a5m s THR 110 Ca -0.04 -0.57 0.11 0.00 -1.21 0.00 0.00 61.69 59.98 2a5m s THR 110 Cb -0.14 -0.71 0.29 0.00 -1.51 0.00 0.00 72.50 70.43 2a5m s THR 110 CO 0.04 -0.31 1.23 0.35 -2.21 0.00 0.00 174.62 173.71 2a5m n THR 111 N 1.05 0.94 -4.50 5.08 -2.24 -1.26 -2.14 114.28 111.21 2a5m n THR 111 Ca -0.21 -0.97 -0.24 0.00 -2.27 0.00 0.00 64.05 60.36 2a5m n THR 111 Cb 0.57 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.72 0.70 -0.78 2.02 -1.26 -4.87 118.70 115.24 2a5m s GLU 112 Ca 0.23 -1.85 -0.14 0.00 0.02 0.00 0.00 54.97 53.22 2a5m s GLU 112 Cb 0.12 -1.62 0.02 0.00 0.10 0.00 0.00 34.13 32.75 2a5m s GLU 112 CO 0.16 0.18 1.14 -0.51 0.02 0.00 0.00 175.26 176.25 2a5m s ASP 113 N -3.54 4.67 -0.20 -0.19 1.11 -1.26 -4.95 116.67 112.31 2a5m s ASP 113 Ca 0.31 2.11 0.01 0.00 0.18 0.00 0.00 52.55 55.15 2a5m s ASP 113 Cb 0.00 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.48 2a5m s ASP 113 CO 0.15 -1.93 -0.08 0.00 1.18 0.00 0.00 175.17 174.49 2a5m h PRO 115 N 7.99 0.00 -2.79 0.00 0.13 -1.89 -2.22 132.00 133.23 2a5m h PRO 115 Ca -0.25 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.49 2a5m h PRO 115 Cb 1.09 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.84 2a5m h PRO 115 CO 0.45 0.70 -0.69 0.45 -0.23 0.00 0.00 178.00 178.67 2a5m s SER 116 N -6.72 1.88 0.24 1.44 0.15 -1.25 -2.03 113.70 107.41 2a5m s SER 116 Ca 0.00 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.16 2a5m s SER 116 Cb 0.11 0.06 0.23 0.00 -1.71 0.00 0.00 66.02 64.72 2a5m s SER 116 CO 0.77 -0.34 1.85 0.40 1.20 0.00 0.00 173.24 177.12 2a5m h ILE 117 N 6.37 1.25 -0.35 6.45 2.04 -0.62 -1.97 117.51 130.69 2a5m h ILE 117 Ca -0.16 -0.68 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 2a5m h ILE 117 Cb 1.15 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2a5m h ILE 117 CO 0.29 0.30 -0.29 -0.03 0.00 0.00 0.00 178.15 178.42 2a5m h MET 118 N 1.20 0.74 -0.32 2.37 4.05 -1.79 0.18 114.93 121.35 2a5m h MET 118 Ca 0.30 -0.33 -0.17 0.00 -0.28 0.00 0.00 59.70 59.22 2a5m h MET 118 Cb 0.08 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2a5m h MET 118 CO -0.04 0.94 -0.46 1.49 0.23 0.00 0.00 176.91 179.06 2a5m h GLU 119 N 0.63 0.86 0.05 0.39 4.81 -1.81 0.91 114.58 120.42 2a5m h GLU 119 Ca 0.08 -0.50 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 2a5m h GLU 119 Cb 0.81 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.23 2a5m h GLU 119 CO 0.07 1.14 -0.33 0.37 -0.73 0.00 0.00 179.01 179.52 2a5m h GLN 120 N 0.69 0.13 -0.03 1.92 4.15 -1.27 -3.39 115.11 117.31 2a5m h GLN 120 Ca 0.04 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2a5m h GLN 120 Cb 1.05 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2a5m h GLN 120 CO 0.11 1.08 0.00 1.19 -1.93 0.00 0.00 178.83 179.28 2a5m n PHE 121 N -4.42 0.02 -2.76 3.99 3.72 0.04 -4.98 117.46 113.08 2a5m n PHE 121 Ca -0.11 -0.03 -0.21 0.00 -0.05 0.00 0.00 57.45 57.05 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 0.62 -1.55 -4.79 1.38 8.25 0.31 -4.97 115.22 114.46 2a5m n HIS 122 Ca 0.07 0.31 -0.33 0.00 -0.26 0.00 0.00 57.72 57.51 2a5m n HIS 122 Cb 0.28 -4.23 -0.13 0.00 1.12 0.00 0.00 29.99 27.03 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 -6.26 2.79 0.18 2.41 1.43 -1.25 -4.97 118.68 113.02 2a5m s LEU 123 Ca 0.18 -0.23 0.21 0.00 -1.03 0.00 0.00 54.13 53.26 2a5m s LEU 123 Cb -0.08 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2a5m s LEU 123 CO 0.23 0.26 1.01 0.08 0.23 0.00 0.00 176.35 178.16 2a5m h ARG 124 N 5.98 0.00 -3.67 1.70 0.11 -1.93 -3.14 114.38 113.43 2a5m h ARG 124 Ca -0.37 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.64 2a5m h ARG 124 Cb 1.18 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.15 2a5m h ARG 124 CO 0.53 0.08 -0.18 -1.21 0.10 0.00 0.00 179.97 179.30 2a5m s GLU 125 N -3.24 1.29 -0.06 0.08 2.02 -1.26 -4.54 118.70 112.99 2a5m s GLU 125 Ca -0.01 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.90 2a5m s GLU 125 Cb 0.09 0.44 0.02 0.00 0.10 0.00 0.00 34.13 34.78 2a5m s GLU 125 CO 0.79 -0.51 -0.08 0.42 0.02 0.00 0.00 175.26 175.90 2a5m s ILE 126 N -3.95 0.81 -0.42 -1.63 1.01 -1.00 -4.92 121.20 111.10 2a5m s ILE 126 Ca 0.16 -0.27 0.12 0.00 0.00 0.00 0.00 60.65 60.65 2a5m s ILE 126 Cb 0.01 -0.79 -0.14 0.00 0.01 0.00 0.00 42.46 41.55 2a5m s ILE 126 CO 0.01 0.29 0.44 1.41 0.00 0.00 0.00 174.94 177.09 2a5m n HIS 127 N 4.06 0.00 -3.51 3.97 8.25 -1.25 -4.74 115.22 122.00 2a5m n HIS 127 Ca -0.22 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.07 2a5m n HIS 127 Cb 0.51 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 2a5m n HIS 127 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a5m s SER 128 N -2.43 -0.61 -0.17 0.41 0.15 -1.25 -2.55 113.70 107.25 2a5m s SER 128 Ca 0.02 0.50 -0.28 0.00 0.70 0.00 0.00 55.95 56.89 2a5m s SER 128 Cb 0.09 0.55 0.09 0.00 -1.71 0.00 0.00 66.02 65.03 2a5m s SER 128 CO 0.49 -0.70 0.82 0.00 1.20 0.00 0.00 173.24 175.05 2a5m s LYS 130 N -0.55 1.92 -0.15 0.00 1.02 0.03 -1.79 119.74 120.22 2a5m s LYS 130 Ca -0.04 -1.69 -0.01 0.00 0.02 0.00 0.00 55.97 54.26 2a5m s LYS 130 Cb -0.02 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2a5m s LYS 130 CO 0.03 -0.89 -0.11 0.54 -0.92 0.00 0.00 175.35 174.00 2a5m s VAL 131 N 1.07 3.14 -0.45 3.17 0.11 -1.26 -2.22 120.40 123.95 2a5m s VAL 131 Ca 0.05 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 2a5m s VAL 131 Cb -0.21 -2.34 0.14 0.00 -1.53 0.00 0.00 36.38 32.44 2a5m s VAL 131 CO -0.05 0.51 0.25 -0.69 -3.33 0.00 0.00 175.10 171.79 2a5m s VAL 132 N 0.53 1.50 0.21 2.04 1.01 -1.26 -3.95 120.40 120.48 2a5m s VAL 132 Ca -0.08 -2.66 0.00 0.00 0.00 0.00 0.00 61.98 59.24 2a5m s VAL 132 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2a5m s VAL 132 CO 0.04 -0.90 0.00 1.21 0.00 0.00 0.00 175.10 175.44 2a5m n GLU 133 N 3.44 0.00 0.00 2.72 0.00 -1.26 -4.75 120.64 120.79 2a5m n GLU 133 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 2a5m n GLU 133 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.79 2a5m n GLU 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2a5m n GLY 134 N -0.12 1.47 2.39 8.31 0.00 -1.26 -4.59 105.19 111.39 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 0.00 1.42 -4.20 2.61 -2.24 -1.26 -4.57 114.28 106.04 2a5m n THR 135 Ca 0.00 -4.83 -0.18 0.00 -2.27 0.00 0.00 64.05 56.77 2a5m n THR 135 Cb 0.00 -2.06 -0.15 0.00 -2.10 0.00 0.00 70.33 66.02 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 -2.01 0.63 -0.04 4.78 0.52 -1.13 -0.84 118.94 120.84 2a5m s TRP 136 Ca 0.38 -0.14 0.07 0.00 0.02 0.00 0.00 56.10 56.43 2a5m s TRP 136 Cb 0.14 -0.48 -0.01 0.00 -1.15 0.00 0.00 33.47 31.97 2a5m s TRP 136 CO -0.05 -0.08 -0.25 0.42 0.02 0.00 0.00 176.95 177.01 2a5m s ILE 137 N 0.27 2.04 -0.03 2.03 1.01 -0.34 0.00 121.20 126.18 2a5m s ILE 137 Ca -0.03 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.56 2a5m s ILE 137 Cb -0.07 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2a5m s ILE 137 CO -0.00 0.57 -0.08 -0.36 0.00 0.00 0.00 174.94 175.07 2a5m s PHE 138 N -0.36 2.87 0.03 3.97 0.40 -0.24 -1.19 117.98 123.47 2a5m s PHE 138 Ca 0.03 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.40 2a5m s PHE 138 Cb -0.12 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 2a5m s PHE 138 CO 0.02 0.33 -0.22 0.71 0.70 0.00 0.00 175.22 176.75 2a5m s TYR 139 N -0.89 1.95 0.22 0.36 1.51 0.16 -0.39 117.35 120.27 2a5m s TYR 139 Ca 0.14 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 2a5m s TYR 139 Cb -0.11 -1.18 0.18 0.00 -0.11 0.00 0.00 41.96 40.74 2a5m s TYR 139 CO 0.04 0.07 1.51 1.49 -1.11 0.00 0.00 175.55 177.55 2a5m h GLU 140 N 5.00 0.10 -6.42 -0.62 4.81 -1.34 -0.74 114.58 115.36 2a5m h GLU 140 Ca -0.43 -0.08 -0.62 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 0.77 -0.73 -0.51 -0.73 0.00 0.00 179.01 178.26 2a5m s LEU 141 N -7.53 2.91 1.10 1.64 1.43 -0.07 -3.29 118.68 114.86 2a5m s LEU 141 Ca -0.02 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.29 2a5m s LEU 141 Cb 0.12 -1.57 0.20 0.00 0.03 0.00 0.00 46.19 44.96 2a5m s LEU 141 CO 0.79 0.09 0.73 -0.81 0.23 0.00 0.00 176.35 177.38 2a5m n PRO 142 N -0.08 -1.70 -2.55 1.29 -0.04 -1.26 -2.47 135.00 128.19 2a5m n PRO 142 Ca -0.10 -0.46 -0.21 0.00 -0.04 0.00 0.00 63.50 62.69 2a5m n PRO 142 Cb 0.56 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -3.66 -5.96 -3.47 3.54 4.13 -0.86 -2.86 115.26 106.11 2a5m n ASN 143 Ca 0.04 -0.08 -0.18 0.00 1.68 0.00 0.00 54.58 56.04 2a5m n ASN 143 Cb 0.56 -4.93 0.07 0.00 -1.54 0.00 0.00 39.78 33.94 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2a5m n TYR 144 N -4.13 -2.16 -4.42 3.10 4.01 -1.23 -5.02 117.16 107.31 2a5m n TYR 144 Ca -0.21 0.88 -0.21 0.00 -0.16 0.00 0.00 57.90 58.20 2a5m n TYR 144 Cb 0.67 -4.68 -0.10 0.00 -0.31 0.00 0.00 39.34 34.92 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 -5.36 1.53 0.88 -0.72 1.81 -1.03 -5.02 118.95 111.04 2a5m s ARG 145 Ca 0.10 -1.78 0.00 0.00 -1.72 0.00 0.00 55.73 52.34 2a5m s ARG 145 Cb -0.02 -1.07 0.00 0.00 -0.45 0.00 0.00 34.95 33.41 2a5m s ARG 145 CO 0.76 0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.80 2a5m n GLY 146 N -0.57 -1.81 3.77 -3.53 0.00 -1.26 -0.89 105.19 100.90 2a5m n GLY 146 Ca -0.05 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 2a5m n GLY 146 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 147 N 0.00 4.26 0.11 1.61 3.52 -1.26 -4.71 118.95 122.48 2a5m s ARG 147 Ca 0.00 2.03 0.08 0.00 -0.13 0.00 0.00 55.73 57.70 2a5m s ARG 147 Cb 0.00 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2a5m s ARG 147 CO 0.00 -0.20 -0.12 -0.65 -0.81 0.00 0.00 175.30 173.52 2a5m s GLN 148 N -1.94 2.03 -0.06 5.12 -0.21 -1.25 -1.65 119.66 121.69 2a5m s GLN 148 Ca 0.52 -1.08 0.04 0.00 0.02 0.00 0.00 55.36 54.86 2a5m s GLN 148 Cb -0.36 -2.25 -0.00 0.00 1.00 0.00 0.00 33.01 31.41 2a5m s GLN 148 CO 0.46 0.50 -0.20 0.71 -2.12 0.00 0.00 175.29 174.64 2a5m s TYR 149 N -1.21 2.03 -0.26 0.91 2.02 0.47 -4.61 117.35 116.70 2a5m s TYR 149 Ca 0.21 -0.69 -0.16 0.00 -0.37 0.00 0.00 57.07 56.06 2a5m s TYR 149 Cb -0.11 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 2a5m s TYR 149 CO 0.13 -0.26 0.40 -1.17 -1.57 0.00 0.00 175.55 173.08 2a5m s LEU 150 N 0.20 4.05 -0.10 -1.29 2.96 -1.26 -1.08 118.68 122.15 2a5m s LEU 150 Ca -0.10 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2a5m s LEU 150 Cb -0.14 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2a5m s LEU 150 CO 0.05 -0.20 0.09 -0.76 -1.32 0.00 0.00 176.35 174.21 2a5m s LEU 151 N 2.09 4.10 0.00 -0.68 1.43 0.10 -5.01 118.68 120.70 2a5m s LEU 151 Ca 0.16 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2a5m s LEU 151 Cb -0.16 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2a5m s LEU 151 CO 0.10 0.39 0.00 0.47 0.23 0.00 0.00 176.35 177.54 2a5m n ASP 152 N 2.00 0.85 -1.67 2.29 8.00 -1.26 -2.86 116.55 123.90 2a5m n ASP 152 Ca -0.19 -0.33 -0.01 0.00 0.71 0.00 0.00 54.79 54.97 2a5m n ASP 152 Cb 0.54 0.00 -0.01 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 -0.19 0.83 -4.26 -1.24 2.85 -1.26 -4.13 118.16 110.75 2a5m n LYS 153 Ca 0.00 -0.07 -0.23 0.00 -1.05 0.00 0.00 58.31 56.95 2a5m n LYS 153 Cb 0.00 -1.20 -0.07 0.00 -0.65 0.00 0.00 35.03 33.11 2a5m n LYS 153 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2a5m s LYS 154 N 0.59 2.25 -0.18 -1.58 2.20 -1.25 -4.82 119.74 116.94 2a5m s LYS 154 Ca 0.05 -1.53 -0.08 0.00 -0.36 0.00 0.00 55.97 54.05 2a5m s LYS 154 Cb 0.02 -2.10 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 2a5m s LYS 154 CO 0.00 0.25 0.07 -1.21 -0.36 0.00 0.00 175.35 174.10 2a5m s GLU 155 N -3.72 3.97 -0.37 4.03 8.01 -1.26 -4.17 118.70 125.19 2a5m s GLU 155 Ca 0.34 -0.33 -0.12 0.00 0.01 0.00 0.00 54.97 54.87 2a5m s GLU 155 Cb -0.04 -3.22 0.01 0.00 -4.31 0.00 0.00 34.13 26.57 2a5m s GLU 155 CO 0.20 0.30 0.23 0.71 0.01 0.00 0.00 175.26 176.71 2a5m s TYR 156 N 0.30 3.23 -0.10 1.61 1.51 -0.74 -4.93 117.35 118.23 2a5m s TYR 156 Ca 0.04 -0.66 0.15 0.00 -1.01 0.00 0.00 57.07 55.59 2a5m s TYR 156 Cb -0.12 -2.47 -0.16 0.00 -0.11 0.00 0.00 41.96 39.10 2a5m s TYR 156 CO -0.00 -0.55 0.78 2.89 -1.11 0.00 0.00 175.55 177.56 2a5m n ARG 157 N 5.06 0.62 -4.35 -0.62 1.85 -1.26 -1.04 116.66 116.92 2a5m n ARG 157 Ca -0.12 0.25 -0.23 0.00 -1.00 0.00 0.00 57.85 56.75 2a5m n ARG 157 Cb 0.48 -1.81 -0.12 0.00 -1.05 0.00 0.00 32.46 29.96 2a5m n ARG 157 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2a5m s LYS 158 N -2.82 1.31 0.20 2.89 1.02 -1.25 -1.01 119.74 120.08 2a5m s LYS 158 Ca -0.03 -1.39 -0.09 0.00 0.02 0.00 0.00 55.97 54.47 2a5m s LYS 158 Cb 0.08 -1.47 0.14 0.00 -0.52 0.00 0.00 37.83 36.07 2a5m s LYS 158 CO 0.82 0.31 1.81 -1.00 -0.92 0.00 0.00 175.35 176.36 2a5m h PRO 159 N 3.40 1.07 0.00 -1.68 0.13 -1.79 -1.36 132.00 131.77 2a5m h PRO 159 Ca -0.44 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2a5m h PRO 159 Cb 1.20 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2a5m h PRO 159 CO 0.48 0.82 0.00 0.28 -0.23 0.00 0.00 178.00 179.34 2a5m h VAL 160 N 1.05 0.00 0.00 1.56 2.07 -1.91 -1.83 116.25 117.19 2a5m h VAL 160 Ca 0.26 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2a5m h VAL 160 Cb 0.08 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2a5m h VAL 160 CO -0.04 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.77 2a5m h ASP 161 N 0.00 0.00 -0.61 0.57 3.58 -1.55 -2.12 116.42 116.29 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 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 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 -2.91 1.57 -0.72 0.28 2.14 -0.69 -4.92 117.44 112.20 2a5m n TRP 162 Ca -0.01 -0.64 0.00 0.00 2.07 0.00 0.00 57.50 58.92 2a5m n TRP 162 Cb 0.19 -0.30 0.00 0.00 -0.81 0.00 0.00 31.31 30.39 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 0.95 0.63 3.86 -1.67 0.00 -0.79 -4.71 105.19 103.45 2a5m n GLY 163 Ca 0.26 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.37 4.61 0.00 -1.25 -4.97 121.76 120.58 2a5m s ALA 164 Ca 0.00 -0.67 0.28 0.00 0.00 0.00 0.00 51.96 51.57 2a5m s ALA 164 Cb 0.00 -1.90 1.10 0.00 0.00 0.00 0.00 23.12 22.32 2a5m s ALA 164 CO 0.00 0.62 1.80 0.00 0.00 0.00 0.00 175.76 178.18 2a5m n ALA 165 N 1.94 2.80 -2.86 0.00 0.00 -1.26 -3.93 120.51 117.20 2a5m n ALA 165 Ca -0.19 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 2a5m n ALA 165 Cb 0.55 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.69 0.36 0.00 0.00 0.01 -1.26 -5.00 113.70 105.11 2a5m s SER 166 Ca 0.22 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2a5m s SER 166 Cb 0.19 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2a5m s SER 166 CO 0.53 -0.32 0.59 -0.81 0.41 0.00 0.00 173.24 173.63 2a5m n PRO 167 N 1.40 0.77 -2.90 12.44 -0.04 -1.26 -4.81 135.00 140.60 2a5m n PRO 167 Ca -0.23 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.82 2a5m n PRO 167 Cb 0.56 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.53 3.58 -0.12 0.55 0.00 -1.26 -2.39 121.76 120.58 2a5m s ALA 168 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 2a5m s ALA 168 Cb 0.00 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.94 2a5m s ALA 168 CO 0.00 -0.76 0.28 0.42 0.00 0.00 0.00 175.76 175.70 2a5m s ILE 169 N 2.43 -0.15 -0.27 0.00 1.09 -1.26 -4.69 121.20 118.34 2a5m s ILE 169 Ca 0.36 0.17 0.10 0.00 -1.10 0.00 0.00 60.65 60.18 2a5m s ILE 169 Cb -0.16 -0.44 -0.13 0.00 -1.06 0.00 0.00 42.46 40.67 2a5m s ILE 169 CO 0.10 0.07 0.34 0.00 -0.10 0.00 0.00 174.94 175.35 2a5m n GLN 170 N 4.55 2.28 -3.54 2.79 1.13 -0.31 -4.70 117.38 119.56 2a5m n GLN 170 Ca -0.20 -0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 54.70 2a5m n GLN 170 Cb 0.52 -1.08 -0.04 0.00 0.11 0.00 0.00 30.24 29.75 2a5m n GLN 170 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2a5m s SER 171 N -2.46 -0.40 0.01 1.08 0.15 -1.02 0.09 113.70 111.13 2a5m s SER 171 Ca 0.01 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 2a5m s SER 171 Cb 0.07 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 2a5m s SER 171 CO 0.41 -0.86 0.33 0.72 1.20 0.00 0.00 173.24 175.04 2a5m s PHE 172 N -3.45 -0.18 0.01 3.44 -0.12 -0.84 0.40 117.98 117.24 2a5m s PHE 172 Ca 0.00 0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 57.03 2a5m s PHE 172 Cb 0.00 0.12 -0.00 0.00 -0.63 0.00 0.00 43.02 42.51 2a5m s PHE 172 CO -0.10 -0.45 0.11 1.03 -0.05 0.00 0.00 175.22 175.76 2a5m s ARG 173 N -1.80 0.46 0.16 1.99 0.52 -0.33 -1.86 118.95 118.10 2a5m s ARG 173 Ca -0.10 -0.46 -0.18 0.00 -0.52 0.00 0.00 55.73 54.46 2a5m s ARG 173 Cb -0.03 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.55 2a5m s ARG 173 CO 0.02 -0.11 0.64 -0.98 0.02 0.00 0.00 175.30 174.89 2a5m s ARG 174 N -1.48 4.18 -0.17 3.54 1.70 -1.26 -1.20 118.95 124.26 2a5m s ARG 174 Ca -0.14 0.75 -0.13 0.00 -0.47 0.00 0.00 55.73 55.73 2a5m s ARG 174 Cb -0.08 -3.00 -0.05 0.00 -0.57 0.00 0.00 34.95 31.25 2a5m s ARG 174 CO 0.01 0.49 0.27 0.42 -1.08 0.00 0.00 175.30 175.41 2a5m s ILE 175 N -1.39 5.32 0.03 4.99 1.01 -0.02 -4.95 121.20 126.19 2a5m s ILE 175 Ca 0.38 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.54 2a5m s ILE 175 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2a5m s ILE 175 CO 0.20 0.39 -0.06 -0.69 0.00 0.00 0.00 174.94 174.79 2a5m s VAL 176 N 0.47 0.39 0.00 2.92 1.01 -1.26 -4.82 120.40 119.11 2a5m s VAL 176 Ca 0.15 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2a5m s VAL 176 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2a5m s VAL 176 CO 0.03 -0.33 0.00 -1.84 0.00 0.00 0.00 175.10 172.96