#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 2.33 0.00 -1.46 1.02 -1.26 -4.89 119.74 115.47 2a5m s LYS 2 Ca 0.00 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.16 2a5m s LYS 2 Cb 0.00 -4.51 0.00 0.00 -0.52 0.00 0.00 37.83 32.80 2a5m s LYS 2 CO 0.00 -3.04 0.00 2.41 -0.92 0.00 0.00 175.35 173.80 2a5m n THR 3 N 7.72 0.00 0.00 2.17 -1.04 -1.26 -5.13 114.28 116.74 2a5m n THR 3 Ca 0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 2a5m n THR 3 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2a5m n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2a5m n GLY 4 N 5.00 -1.48 3.80 3.41 0.00 -1.26 -5.15 105.19 109.51 2a5m n GLY 4 Ca 0.00 0.93 -0.35 0.00 0.00 0.00 0.00 46.02 46.60 2a5m n GLY 4 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a5m s GLY 5 N 0.00 2.56 -0.17 -0.02 0.00 -1.26 -4.70 107.32 103.73 2a5m s GLY 5 Ca 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 44.72 45.10 2a5m s GLY 5 CO 0.00 0.86 0.44 1.25 0.00 0.00 0.00 173.10 175.65 2a5m s LYS 6 N -2.84 0.48 -0.00 2.90 2.20 -0.66 -4.59 119.74 117.23 2a5m s LYS 6 Ca 0.60 0.67 0.04 0.00 -0.36 0.00 0.00 55.97 56.92 2a5m s LYS 6 Cb -0.15 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.33 2a5m s LYS 6 CO 0.19 -0.09 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.46 2a5m s ILE 7 N 0.58 1.02 -0.10 5.43 2.07 -0.86 -0.86 121.20 128.48 2a5m s ILE 7 Ca -0.03 -0.61 0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2a5m s ILE 7 Cb -0.05 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.69 2a5m s ILE 7 CO -0.04 0.24 -0.22 -0.55 -1.91 0.00 0.00 174.94 172.46 2a5m s SER 8 N -0.43 2.94 -0.08 4.50 0.15 0.89 -1.43 113.70 120.25 2a5m s SER 8 Ca 0.04 -0.54 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 2a5m s SER 8 Cb -0.05 -1.35 -0.03 0.00 -1.71 0.00 0.00 66.02 62.88 2a5m s SER 8 CO -0.00 0.13 -0.05 -0.36 1.20 0.00 0.00 173.24 174.16 2a5m s PHE 9 N 0.45 3.00 -0.03 3.44 0.40 0.13 -0.43 117.98 124.95 2a5m s PHE 9 Ca -0.17 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2a5m s PHE 9 Cb -0.17 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 2a5m s PHE 9 CO 0.07 0.36 -0.22 0.71 0.70 0.00 0.00 175.22 176.84 2a5m s TYR 10 N -0.79 2.01 0.35 0.36 1.51 -0.72 -0.78 117.35 119.29 2a5m s TYR 10 Ca 0.12 -0.46 0.18 0.00 -1.01 0.00 0.00 57.07 55.91 2a5m s TYR 10 Cb -0.11 -1.31 0.97 0.00 -0.11 0.00 0.00 41.96 41.40 2a5m s TYR 10 CO 0.02 -0.09 1.90 0.93 -1.11 0.00 0.00 175.55 177.20 2a5m h GLU 11 N 5.79 0.00 -5.89 -0.62 4.39 -1.31 -1.43 114.58 115.51 2a5m h GLU 11 Ca -0.37 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.76 2a5m h GLU 11 Cb 1.15 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.71 2a5m h GLU 11 CO 0.48 0.27 -0.50 0.34 -1.16 0.00 0.00 179.01 178.43 2a5m s ASP 12 N -6.61 4.40 0.73 1.42 -1.08 -0.54 -3.81 116.67 111.18 2a5m s ASP 12 Ca -0.02 -1.09 -0.11 0.00 -0.52 0.00 0.00 52.55 50.81 2a5m s ASP 12 Cb 0.14 -0.48 0.03 0.00 -1.46 0.00 0.00 42.92 41.14 2a5m s ASP 12 CO 0.67 -0.53 1.08 -0.13 0.52 0.00 0.00 175.17 176.78 2a5m s ARG 13 N -3.89 2.61 -1.37 4.34 0.52 -1.26 -3.59 118.95 116.31 2a5m s ARG 13 Ca 0.41 0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 56.36 2a5m s ARG 13 Cb 0.04 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.55 2a5m s ARG 13 CO 0.22 -1.28 0.46 0.09 0.02 0.00 0.00 175.30 174.81 2a5m n ASN 14 N -3.23 -5.47 -4.04 0.23 5.03 0.73 -2.49 115.26 106.02 2a5m n ASN 14 Ca 0.07 -0.22 -0.31 0.00 0.87 0.00 0.00 54.58 54.99 2a5m n ASN 14 Cb 0.55 -4.34 -0.00 0.00 -1.02 0.00 0.00 39.78 34.97 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2a5m n PHE 15 N -4.30 -1.92 -3.94 3.10 -1.74 -1.25 -4.97 117.46 102.43 2a5m n PHE 15 Ca -0.11 0.83 -0.22 0.00 -0.56 0.00 0.00 57.45 57.38 2a5m n PHE 15 Cb 0.61 -3.52 -0.05 0.00 1.52 0.00 0.00 39.48 38.04 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2a5m s GLN 16 N -6.70 2.48 0.70 3.97 -0.21 -1.04 -5.01 119.66 113.86 2a5m s GLN 16 Ca 0.53 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 54.41 2a5m s GLN 16 Cb -0.28 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.46 2a5m s GLN 16 CO 0.88 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 174.50 2a5m n GLY 17 N -1.28 -1.87 3.77 3.09 0.00 -1.26 -1.46 105.19 106.17 2a5m n GLY 17 Ca -0.02 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 2a5m n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 18 N 0.00 3.97 0.11 1.61 3.52 -1.26 -4.73 118.95 122.18 2a5m s ARG 18 Ca 0.00 1.97 0.10 0.00 -0.13 0.00 0.00 55.73 57.67 2a5m s ARG 18 Cb 0.00 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 2a5m s ARG 18 CO 0.00 -0.43 -0.25 0.50 -0.81 0.00 0.00 175.30 174.31 2a5m s ARG 19 N -2.31 1.38 -0.05 5.12 3.00 -1.26 -1.30 118.95 123.53 2a5m s ARG 19 Ca 0.58 -1.27 0.01 0.00 -1.00 0.00 0.00 55.73 54.05 2a5m s ARG 19 Cb -0.34 -1.78 0.02 0.00 0.00 0.00 0.00 34.95 32.86 2a5m s ARG 19 CO 0.43 0.43 -0.05 -0.47 0.00 0.00 0.00 175.30 175.63 2a5m s TYR 20 N -1.04 0.88 -0.09 5.12 5.04 0.04 -4.96 117.35 122.34 2a5m s TYR 20 Ca 0.12 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.47 2a5m s TYR 20 Cb -0.10 -0.76 -0.03 0.00 0.35 0.00 0.00 41.96 41.42 2a5m s TYR 20 CO 0.05 -0.23 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.43 2a5m s ASP 21 N 0.98 4.42 -0.02 4.32 1.01 -1.26 -0.69 116.67 125.43 2a5m s ASP 21 Ca -0.10 -0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.06 2a5m s ASP 21 Cb -0.14 -1.28 -0.00 0.00 1.01 0.00 0.00 42.92 42.50 2a5m s ASP 21 CO -0.00 0.29 -0.12 0.00 0.21 0.00 0.00 175.17 175.55 2a5m n ASP 23 N 3.03 2.36 -3.42 0.00 8.00 -1.26 -2.04 116.55 123.22 2a5m n ASP 23 Ca -0.16 -2.12 -0.09 0.00 0.71 0.00 0.00 54.79 53.13 2a5m n ASP 23 Cb 0.55 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 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 5.80 -0.14 0.00 2.15 -1.26 -4.78 116.67 115.42 2a5m s ASP 25 Ca 0.15 2.91 -0.01 0.00 0.43 0.00 0.00 52.55 56.03 2a5m s ASP 25 Cb -0.05 -2.65 0.04 0.00 -0.30 0.00 0.00 42.92 39.96 2a5m s ASP 25 CO 0.10 -1.23 -0.04 0.00 -0.17 0.00 0.00 175.17 173.83 2a5m h ALA 27 N 8.17 0.85 -1.36 0.00 0.00 -1.91 -2.27 119.26 122.73 2a5m h ALA 27 Ca -0.24 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2a5m h ALA 27 Cb 1.12 -0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.61 2a5m h ALA 27 CO 0.38 0.40 -0.45 0.34 0.00 0.00 0.00 179.25 179.92 2a5m s ASP 28 N -6.32 -0.61 0.00 0.00 -1.08 -1.26 -3.74 116.67 103.66 2a5m s ASP 28 Ca 0.03 -0.04 0.17 0.00 -0.52 0.00 0.00 52.55 52.19 2a5m s ASP 28 Cb 0.08 1.57 0.44 0.00 -1.46 0.00 0.00 42.92 43.56 2a5m s ASP 28 CO 0.69 -0.32 1.36 2.22 0.52 0.00 0.00 175.17 179.64 2a5m n PHE 29 N 5.39 0.64 0.29 -5.34 -1.74 -1.24 -4.51 117.46 110.94 2a5m n PHE 29 Ca 0.02 -0.44 0.17 0.00 -0.56 0.00 0.00 57.45 56.64 2a5m n PHE 29 Cb 0.52 -0.01 0.95 0.00 1.52 0.00 0.00 39.48 42.45 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 3.24 0.00 0.00 3.97 3.08 -1.80 -0.00 114.38 122.86 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 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 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 -1.99 -3.12 113.55 120.12 2a5m h SER 31 Ca 0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2a5m h SER 31 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2a5m h SER 31 CO -0.00 0.00 -1.80 -1.22 -0.87 0.00 0.00 176.83 172.94 2a5m n TYR 32 N -2.56 0.00 -3.69 4.77 4.01 -0.11 -4.95 117.16 114.63 2a5m n TYR 32 Ca 0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 2a5m n TYR 32 Cb 0.35 -0.44 -0.12 0.00 -0.31 0.00 0.00 39.34 38.82 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 -4.30 -0.03 0.04 7.72 2.96 -0.65 -4.83 118.68 119.58 2a5m s LEU 33 Ca -0.06 0.66 0.26 0.00 -0.22 0.00 0.00 54.13 54.77 2a5m s LEU 33 Cb 0.09 0.90 0.72 0.00 0.50 0.00 0.00 46.19 48.40 2a5m s LEU 33 CO 0.67 -0.20 1.58 -1.20 -1.32 0.00 0.00 176.35 175.88 2a5m n SER 34 N 4.74 0.42 -3.57 3.68 7.64 -1.26 -4.17 113.62 121.09 2a5m n SER 34 Ca -0.17 0.11 -0.05 0.00 1.01 0.00 0.00 58.87 59.77 2a5m n SER 34 Cb 0.52 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 2a5m n SER 34 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2a5m s ARG 35 N -3.04 0.58 -0.13 1.43 0.52 -1.26 -4.96 118.95 112.09 2a5m s ARG 35 Ca 0.11 -0.24 -0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2a5m s ARG 35 Cb 0.17 0.25 0.06 0.00 0.52 0.00 0.00 34.95 35.94 2a5m s ARG 35 CO 0.64 -0.25 0.12 0.00 0.02 0.00 0.00 175.30 175.83 2a5m n ASN 37 N 5.30 2.16 -3.59 0.00 4.13 -0.54 -4.50 115.26 118.21 2a5m n ASN 37 Ca -0.05 -1.58 -0.15 0.00 1.68 0.00 0.00 54.58 54.48 2a5m n ASN 37 Cb 0.49 0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.69 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 -1.20 -0.46 -0.01 6.41 0.15 -1.22 0.22 113.70 117.58 2a5m s SER 38 Ca 0.16 0.32 -0.07 0.00 0.70 0.00 0.00 55.95 57.07 2a5m s SER 38 Cb 0.12 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2a5m s SER 38 CO 0.18 -0.64 0.15 -0.63 1.20 0.00 0.00 173.24 173.51 2a5m s ILE 39 N -1.87 0.06 -0.14 6.45 1.01 -0.80 -1.75 121.20 124.17 2a5m s ILE 39 Ca -0.08 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.07 2a5m s ILE 39 Cb -0.01 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.08 2a5m s ILE 39 CO 0.03 -0.28 -0.18 -0.60 0.00 0.00 0.00 174.94 173.91 2a5m s ARG 40 N -1.01 2.62 -0.34 2.79 3.52 0.42 -0.92 118.95 126.04 2a5m s ARG 40 Ca -0.11 -0.70 -0.10 0.00 -0.13 0.00 0.00 55.73 54.69 2a5m s ARG 40 Cb -0.06 -2.23 0.01 0.00 -1.56 0.00 0.00 34.95 31.11 2a5m s ARG 40 CO 0.01 -0.11 0.17 0.08 -0.81 0.00 0.00 175.30 174.64 2a5m s VAL 41 N 1.10 4.50 0.03 7.11 1.01 0.10 -0.08 120.40 134.17 2a5m s VAL 41 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2a5m s VAL 41 Cb -0.14 -3.39 -0.26 0.00 0.00 0.00 0.00 36.38 32.58 2a5m s VAL 41 CO -0.06 -0.06 0.95 -0.33 0.00 0.00 0.00 175.10 175.60 2a5m h GLU 42 N 8.37 0.19 -1.93 2.72 4.39 -1.24 -2.11 114.58 124.96 2a5m h GLU 42 Ca -0.29 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 2a5m h GLU 42 Cb 1.12 0.12 -0.20 0.00 -0.10 0.00 0.00 28.75 29.70 2a5m h GLU 42 CO 0.63 1.05 0.29 0.20 -1.16 0.00 0.00 179.01 180.02 2a5m s GLY 43 N -4.88 -0.50 0.00 -3.84 0.00 -1.13 -4.86 107.32 92.11 2a5m s GLY 43 Ca -0.06 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.12 2a5m s GLY 43 CO 0.85 0.93 0.00 0.61 0.00 0.00 0.00 173.10 175.49 2a5m n GLY 44 N 0.79 -1.29 3.29 0.20 0.00 -1.26 -1.65 105.19 105.27 2a5m n GLY 44 Ca -0.16 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 2a5m n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5m s THR 45 N -1.65 2.08 0.14 2.61 2.01 -1.26 -3.10 115.64 116.47 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 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 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 -0.30 1.73 -0.13 4.92 0.52 -0.64 0.94 118.94 125.98 2a5m s TRP 46 Ca 0.01 -0.47 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 2a5m s TRP 46 Cb -0.13 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 2a5m s TRP 46 CO 0.02 0.27 -0.02 0.00 0.02 0.00 0.00 176.95 177.23 2a5m s ALA 47 N -1.85 3.10 0.01 0.98 0.00 0.67 0.38 121.76 125.05 2a5m s ALA 47 Ca 0.12 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.34 2a5m s ALA 47 Cb -0.07 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2a5m s ALA 47 CO 0.05 0.35 -0.22 0.14 0.00 0.00 0.00 175.76 176.09 2a5m s VAL 48 N -0.11 2.44 0.04 0.00 -7.23 -0.14 -0.88 120.40 114.53 2a5m s VAL 48 Ca 0.03 -1.13 0.09 0.00 -1.81 0.00 0.00 61.98 59.15 2a5m s VAL 48 Cb -0.13 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 2a5m s VAL 48 CO 0.02 0.47 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.73 2a5m s TYR 49 N -0.76 2.14 0.27 2.82 1.51 0.37 -1.59 117.35 122.11 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 0.39 0.00 -0.11 0.00 0.00 41.96 40.86 2a5m s TYR 49 CO 0.02 0.11 1.74 1.49 -1.11 0.00 0.00 175.55 177.80 2a5m h GLU 50 N 4.83 0.60 -6.12 -0.62 4.81 -1.43 0.45 114.58 117.11 2a5m h GLU 50 Ca -0.45 -0.20 -0.56 0.00 -0.13 0.00 0.00 59.36 58.03 2a5m h GLU 50 Cb 1.15 -0.05 -0.19 0.00 0.63 0.00 0.00 28.75 30.29 2a5m h GLU 50 CO 0.44 0.73 -0.80 1.03 -0.73 0.00 0.00 179.01 179.68 2a5m s ARG 51 N -4.70 1.29 1.06 1.92 1.81 -0.84 -2.64 118.95 116.85 2a5m s ARG 51 Ca -0.08 -1.38 -0.18 0.00 -1.72 0.00 0.00 55.73 52.38 2a5m s ARG 51 Cb 0.14 -1.44 0.05 0.00 -0.45 0.00 0.00 34.95 33.24 2a5m s ARG 51 CO 0.80 0.31 -0.05 -2.30 -0.68 0.00 0.00 175.30 173.38 2a5m n PRO 52 N 0.46 -1.02 -3.13 3.54 -0.01 -1.26 -2.74 135.00 130.85 2a5m n PRO 52 Ca -0.14 -0.27 -0.19 0.00 -0.01 0.00 0.00 63.50 62.88 2a5m n PRO 52 Cb 0.56 -1.65 0.05 0.00 -0.01 0.00 0.00 33.50 32.44 2a5m n PRO 52 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 2a5m n ASN 53 N -0.90 -5.43 -4.10 2.55 5.15 -1.25 -3.09 115.26 108.19 2a5m n ASN 53 Ca 0.02 -0.33 -0.31 0.00 -0.60 0.00 0.00 54.58 53.36 2a5m n ASN 53 Cb 0.61 -4.16 -0.04 0.00 -0.53 0.00 0.00 39.78 35.65 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 -4.41 -1.48 -4.42 1.20 3.72 -1.25 -4.95 117.46 105.87 2a5m n PHE 54 Ca -0.04 0.59 -0.21 0.00 -0.05 0.00 0.00 57.45 57.74 2a5m n PHE 54 Cb 0.57 -3.23 -0.10 0.00 -0.94 0.00 0.00 39.48 35.79 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 -4.22 2.86 0.00 4.37 0.15 -1.11 -5.05 113.70 110.70 2a5m s SER 55 Ca 0.09 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.61 2a5m s SER 55 Cb -0.04 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2a5m s SER 55 CO 0.94 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.74 2a5m n GLY 56 N -0.55 -1.70 3.77 9.45 0.00 -1.26 -1.98 105.19 112.91 2a5m n GLY 56 Ca -0.06 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 3.10 -0.05 1.61 3.76 -1.26 -4.73 115.29 117.73 2a5m s HIS 57 Ca 0.00 1.40 0.06 0.00 -0.15 0.00 0.00 55.06 56.37 2a5m s HIS 57 Cb 0.00 -3.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.02 2a5m s HIS 57 CO 0.00 -1.80 -0.23 0.00 -0.85 0.00 0.00 174.74 171.86 2a5m s MET 58 N -1.58 2.43 -0.01 1.40 0.00 -1.26 -1.86 119.30 118.42 2a5m s MET 58 Ca 0.50 -0.87 0.03 0.00 0.00 0.00 0.00 55.69 55.34 2a5m s MET 58 Cb -0.39 -2.18 -0.00 0.00 0.00 0.00 0.00 34.83 32.26 2a5m s MET 58 CO 0.50 0.47 -0.09 0.71 0.00 0.00 0.00 175.02 176.62 2a5m s TYR 59 N -0.38 0.84 -0.13 3.16 1.51 -0.62 -4.14 117.35 117.59 2a5m s TYR 59 Ca 0.03 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 55.77 2a5m s TYR 59 Cb -0.12 -0.57 -0.05 0.00 -0.11 0.00 0.00 41.96 41.12 2a5m s TYR 59 CO 0.02 -0.04 0.33 0.42 -1.11 0.00 0.00 175.55 175.16 2a5m s ILE 60 N -0.05 5.26 -0.26 2.71 1.09 -1.26 -0.97 121.20 127.72 2a5m s ILE 60 Ca 0.01 0.64 0.03 0.00 -1.10 0.00 0.00 60.65 60.22 2a5m s ILE 60 Cb -0.05 -3.66 0.06 0.00 -1.06 0.00 0.00 42.46 37.75 2a5m s ILE 60 CO -0.00 0.42 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.40 2a5m s LEU 61 N 0.17 3.51 0.85 2.97 1.43 0.16 -4.98 118.68 122.79 2a5m s LEU 61 Ca 0.19 -1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 51.75 2a5m s LEU 61 Cb -0.14 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.63 2a5m s LEU 61 CO 0.06 -0.20 1.14 -2.16 0.23 0.00 0.00 176.35 175.42 2a5m s PRO 62 N 1.10 1.62 0.32 1.29 0.04 -1.26 -1.62 135.00 136.49 2a5m s PRO 62 Ca -0.08 0.32 -0.28 0.00 0.04 0.00 0.00 61.00 61.00 2a5m s PRO 62 Cb -0.20 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 2a5m s PRO 62 CO -0.05 -1.87 1.11 0.94 0.04 0.00 0.00 177.00 177.16 2a5m n GLN 63 N -3.55 1.63 -2.98 4.56 0.00 -1.18 -4.84 117.38 111.02 2a5m n GLN 63 Ca 0.07 0.57 0.00 0.00 -0.00 0.00 0.00 57.00 57.64 2a5m n GLN 63 Cb 0.59 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 1.06 -1.65 3.23 1.69 0.00 -0.79 -4.98 105.19 103.74 2a5m n GLY 64 Ca 0.08 -1.47 -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 -1.81 2.95 -0.49 1.61 2.12 -1.26 0.02 118.70 121.84 2a5m s GLU 65 Ca 0.00 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.48 2a5m s GLU 65 Cb 0.00 -2.27 0.13 0.00 0.26 0.00 0.00 34.13 32.25 2a5m s GLU 65 CO 0.00 0.21 0.24 0.71 -0.54 0.00 0.00 175.26 175.89 2a5m s TYR 66 N 0.25 2.96 -1.55 5.30 1.51 -0.09 -4.96 117.35 120.77 2a5m s TYR 66 Ca -0.16 -3.01 0.07 0.00 -1.01 0.00 0.00 57.07 52.95 2a5m s TYR 66 Cb -0.17 -2.64 0.36 0.00 -0.11 0.00 0.00 41.96 39.40 2a5m s TYR 66 CO 0.08 -0.76 1.03 -2.30 -1.11 0.00 0.00 175.55 172.49 2a5m n PRO 67 N 3.26 0.12 -3.65 -1.71 -0.02 -1.26 -1.90 135.00 129.85 2a5m n PRO 67 Ca 0.06 0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.56 2a5m n PRO 67 Cb 0.33 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.24 2a5m n PRO 67 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2a5m s GLU 68 N -2.45 0.87 0.31 -0.52 2.02 -1.26 -0.19 118.70 117.47 2a5m s GLU 68 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 2a5m s GLU 68 Cb 0.05 0.40 0.47 0.00 0.10 0.00 0.00 34.13 35.14 2a5m s GLU 68 CO 0.10 -0.26 1.97 0.10 0.02 0.00 0.00 175.26 177.18 2a5m h TYR 69 N 3.39 0.99 0.00 1.61 -0.00 -0.50 -1.98 116.97 120.47 2a5m h TYR 69 Ca -0.29 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.45 2a5m h TYR 69 Cb 1.17 -0.33 -0.00 0.00 -0.00 0.00 0.00 36.73 37.56 2a5m h TYR 69 CO 0.45 0.64 -0.02 1.96 -0.00 0.00 0.00 178.16 181.19 2a5m h GLN 70 N 1.06 0.00 0.00 0.10 4.20 -1.86 0.23 115.11 118.83 2a5m h GLN 70 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 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 0.02 0.00 -0.09 -0.67 0.00 0.00 178.83 178.03 2a5m h ARG 71 N 0.00 0.00 -0.49 1.46 2.43 -1.74 -1.68 114.38 114.36 2a5m h ARG 71 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2a5m h ARG 71 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2a5m h ARG 71 CO 0.00 0.00 0.00 1.87 -1.51 0.00 0.00 179.97 180.33 2a5m n TRP 72 N -2.54 0.68 -1.70 2.20 -0.00 0.01 -4.93 117.44 111.16 2a5m n TRP 72 Ca 0.02 -0.51 -0.19 0.00 -0.00 0.00 0.00 57.50 56.82 2a5m n TRP 72 Cb 0.31 -0.03 -0.07 0.00 -0.00 0.00 0.00 31.31 31.52 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 0.89 -1.36 -1.76 5.87 2.81 -0.63 -4.93 117.12 118.00 2a5m n MET 73 Ca 0.17 1.13 -0.39 0.00 -1.81 0.00 0.00 57.70 56.79 2a5m n MET 73 Cb 0.52 -5.48 0.03 0.00 -0.71 0.00 0.00 33.22 27.58 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 -2.68 2.91 0.12 3.03 0.00 -0.84 -4.90 107.32 104.96 2a5m s GLY 74 Ca 0.00 1.42 0.06 0.00 0.00 0.00 0.00 44.72 46.20 2a5m s GLY 74 CO 0.00 1.99 1.28 -2.00 0.00 0.00 0.00 173.10 174.38 2a5m h LEU 75 N 1.84 0.06 0.00 0.66 5.85 -1.91 -3.43 115.31 118.38 2a5m h LEU 75 Ca -0.51 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 2a5m h LEU 75 Cb 1.29 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2a5m h LEU 75 CO 0.59 1.02 0.05 0.59 -0.34 0.00 0.00 178.44 180.35 2a5m n ASN 76 N -3.40 -0.51 -2.01 1.25 3.02 -1.26 -5.04 115.26 107.31 2a5m n ASN 76 Ca -0.01 -1.40 -0.14 0.00 -0.03 0.00 0.00 54.58 53.00 2a5m n ASN 76 Cb 0.93 0.87 0.22 0.00 -0.61 0.00 0.00 39.78 41.19 2a5m n ASN 76 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2a5m n ASP 77 N -1.31 4.12 -4.64 6.41 8.00 -1.26 -4.92 116.55 122.95 2a5m n ASP 77 Ca -0.02 -3.27 -0.38 0.00 0.71 0.00 0.00 54.79 51.83 2a5m n ASP 77 Cb 0.14 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 40.39 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2a5m s ARG 78 N -2.85 4.08 -0.08 -1.24 1.81 -1.26 -2.19 118.95 117.20 2a5m s ARG 78 Ca 0.50 0.00 -0.03 0.00 -1.72 0.00 0.00 55.73 54.48 2a5m s ARG 78 Cb 0.41 -3.59 0.05 0.00 -0.45 0.00 0.00 34.95 31.37 2a5m s ARG 78 CO 0.11 -0.12 0.16 -0.51 -0.68 0.00 0.00 175.30 174.27 2a5m s LEU 79 N 1.58 0.04 -0.01 2.53 1.43 -1.26 -4.37 118.68 118.62 2a5m s LEU 79 Ca 0.14 0.35 0.12 0.00 -1.03 0.00 0.00 54.13 53.71 2a5m s LEU 79 Cb -0.15 0.32 -0.17 0.00 0.03 0.00 0.00 46.19 46.21 2a5m s LEU 79 CO 0.08 -0.23 0.32 0.61 0.23 0.00 0.00 176.35 177.36 2a5m n GLY 80 N 5.14 -0.45 3.37 -3.19 0.00 0.14 -4.86 105.19 105.34 2a5m n GLY 80 Ca -0.08 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 2a5m n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a5m s SER 81 N -3.10 -0.38 -0.02 1.61 0.01 -1.15 -3.72 113.70 106.95 2a5m s SER 81 Ca -0.02 0.07 -0.07 0.00 1.31 0.00 0.00 55.95 57.23 2a5m s SER 81 Cb 0.08 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.79 2a5m s SER 81 CO 0.50 -0.72 0.16 0.00 0.41 0.00 0.00 173.24 173.58 2a5m s ARG 83 N -0.94 0.47 0.04 0.00 0.52 -0.06 -1.06 118.95 117.93 2a5m s ARG 83 Ca -0.10 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 2a5m s ARG 83 Cb -0.06 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 2a5m s ARG 83 CO 0.01 0.11 1.05 0.00 0.02 0.00 0.00 175.30 176.50 2a5m s ALA 84 N -0.31 3.26 -0.20 2.13 0.00 -1.26 -0.24 121.76 125.14 2a5m s ALA 84 Ca 0.01 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2a5m s ALA 84 Cb -0.03 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2a5m s ALA 84 CO -0.00 -0.27 0.64 0.08 0.00 0.00 0.00 175.76 176.21 2a5m s VAL 85 N 0.82 5.01 -0.05 0.00 1.01 0.27 -4.88 120.40 122.57 2a5m s VAL 85 Ca 0.53 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 63.55 2a5m s VAL 85 Cb -0.25 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2a5m s VAL 85 CO 0.29 0.10 0.51 -1.00 0.00 0.00 0.00 175.10 175.00 2a5m s HIS 86 N 1.93 3.62 -0.12 5.22 3.76 -1.26 -4.16 115.29 124.27 2a5m s HIS 86 Ca 0.29 1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 56.15 2a5m s HIS 86 Cb -0.16 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 2a5m s HIS 86 CO 0.10 0.33 0.16 -0.51 -0.85 0.00 0.00 174.74 173.97 2a5m s LEU 87 N -0.03 4.38 -0.17 0.89 1.43 -1.26 -4.64 118.68 119.28 2a5m s LEU 87 Ca 0.27 0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2a5m s LEU 87 Cb -0.17 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2a5m s LEU 87 CO 0.13 0.39 -0.07 -0.94 0.23 0.00 0.00 176.35 176.09 2a5m s SER 88 N -0.95 4.31 0.00 2.29 1.04 -1.26 -5.08 113.70 114.06 2a5m s SER 88 Ca 0.15 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2a5m s SER 88 Cb -0.12 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2a5m s SER 88 CO 0.04 0.09 0.00 -0.24 0.98 0.00 0.00 173.24 174.11 2a5m n SER 89 N 4.07 0.13 0.00 7.02 2.88 -1.26 -4.94 113.62 121.52 2a5m n SER 89 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2a5m n SER 89 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2a5m n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a5m n GLY 90 N 5.00 4.01 0.00 0.46 0.00 -1.26 -5.03 105.19 108.38 2a5m n GLY 90 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.80 3.08 -0.02 0.00 -1.26 -5.12 105.19 100.06 2a5m n GLY 91 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 46.02 46.53 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 2.61 0.08 1.61 0.74 -1.26 -5.11 119.66 118.33 2a5m s GLN 92 Ca 0.00 -0.69 -0.30 0.00 0.05 0.00 0.00 55.36 54.42 2a5m s GLN 92 Cb 0.00 -2.27 -0.05 0.00 1.10 0.00 0.00 33.01 31.79 2a5m s GLN 92 CO 0.00 -0.17 1.07 0.00 -0.55 0.00 0.00 175.29 175.63 2a5m s ALA 93 N 1.26 3.29 -0.01 1.58 0.00 -1.26 -5.04 121.76 121.58 2a5m s ALA 93 Ca 0.02 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.71 2a5m s ALA 93 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2a5m s ALA 93 CO -0.09 -0.24 -0.10 0.21 0.00 0.00 0.00 175.76 175.53 2a5m s LYS 94 N 0.51 0.85 0.03 0.00 2.20 -1.26 -4.61 119.74 117.46 2a5m s LYS 94 Ca 0.52 -0.36 0.06 0.00 -0.36 0.00 0.00 55.97 55.83 2a5m s LYS 94 Cb -0.26 -0.82 -0.02 0.00 -1.51 0.00 0.00 37.83 35.22 2a5m s LYS 94 CO 0.30 0.21 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.83 2a5m s ILE 95 N -0.19 1.35 -0.06 5.43 2.07 -0.89 -4.36 121.20 124.56 2a5m s ILE 95 Ca 0.03 -0.99 0.04 0.00 -1.41 0.00 0.00 60.65 58.32 2a5m s ILE 95 Cb -0.05 -1.18 -0.00 0.00 0.13 0.00 0.00 42.46 41.37 2a5m s ILE 95 CO -0.00 0.17 -0.18 0.00 -1.91 0.00 0.00 174.94 173.01 2a5m s GLN 96 N -0.95 2.06 0.08 3.50 0.00 -1.26 -1.73 119.66 121.35 2a5m s GLN 96 Ca 0.05 -0.65 0.08 0.00 -0.00 0.00 0.00 55.36 54.84 2a5m s GLN 96 Cb -0.08 -1.72 -0.03 0.00 0.00 0.00 0.00 33.01 31.19 2a5m s GLN 96 CO 0.01 0.21 -0.21 0.14 0.00 0.00 0.00 175.29 175.44 2a5m s VAL 97 N 0.17 1.71 -0.02 3.63 -7.23 -0.36 -3.18 120.40 115.11 2a5m s VAL 97 Ca -0.08 -1.40 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 2a5m s VAL 97 Cb -0.14 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2a5m s VAL 97 CO 0.04 0.06 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.31 2a5m s PHE 98 N -1.01 2.48 0.40 2.82 0.40 -0.85 -1.72 117.98 120.51 2a5m s PHE 98 Ca 0.07 -0.32 0.14 0.00 -0.60 0.00 0.00 56.93 56.22 2a5m s PHE 98 Cb -0.09 -1.54 0.86 0.00 0.51 0.00 0.00 43.02 42.76 2a5m s PHE 98 CO 0.03 0.08 1.90 1.49 0.70 0.00 0.00 175.22 179.42 2a5m h GLU 99 N 5.31 0.00 -5.71 0.44 4.81 -1.19 -3.35 114.58 114.89 2a5m h GLU 99 Ca -0.45 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.17 2a5m h GLU 99 Cb 1.14 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 99 CO 0.48 0.29 -0.54 0.15 -0.73 0.00 0.00 179.01 178.66 2a5m s LYS 100 N -4.35 2.10 1.03 1.92 1.02 0.01 -4.46 119.74 117.01 2a5m s LYS 100 Ca -0.03 -2.04 -0.13 0.00 0.02 0.00 0.00 55.97 53.79 2a5m s LYS 100 Cb 0.15 -1.77 0.21 0.00 -0.52 0.00 0.00 37.83 35.89 2a5m s LYS 100 CO 0.71 -0.13 1.09 0.20 -0.92 0.00 0.00 175.35 176.30 2a5m s GLY 101 N -3.82 1.56 -1.54 -3.33 0.00 -1.26 -3.47 107.32 95.45 2a5m s GLY 101 Ca 0.34 -0.39 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 2a5m s GLY 101 CO 0.18 0.25 0.93 1.34 0.00 0.00 0.00 173.10 175.80 2a5m n ASP 102 N -4.29 -4.67 -3.80 1.64 2.03 -0.07 -2.03 116.55 105.36 2a5m n ASP 102 Ca 0.05 -0.76 -0.23 0.00 0.52 0.00 0.00 54.79 54.37 2a5m n ASP 102 Cb 0.57 -3.74 0.01 0.00 -0.72 0.00 0.00 41.12 37.25 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 -4.61 -1.83 -4.49 -0.67 3.72 -1.25 -4.99 117.46 103.34 2a5m n PHE 103 Ca 0.04 0.81 -0.23 0.00 -0.05 0.00 0.00 57.45 58.02 2a5m n PHE 103 Cb 0.52 -4.14 -0.11 0.00 -0.94 0.00 0.00 39.48 34.81 2a5m n PHE 103 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2a5m s ASN 104 N -4.31 3.11 0.00 4.37 -0.87 -0.86 -5.03 114.94 111.35 2a5m s ASN 104 Ca 0.04 -1.24 0.00 0.00 -1.57 0.00 0.00 52.86 50.09 2a5m s ASN 104 Cb -0.02 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 2a5m s ASN 104 CO 0.84 -0.36 0.00 0.61 -2.57 0.00 0.00 177.10 175.62 2a5m n GLY 105 N -0.70 -1.80 3.78 0.66 0.00 -1.26 -0.81 105.19 105.06 2a5m n GLY 105 Ca -0.05 -1.80 -0.37 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 4.30 0.01 1.61 0.74 -1.26 -4.70 119.66 120.36 2a5m s GLN 106 Ca 0.00 1.54 0.07 0.00 0.05 0.00 0.00 55.36 57.02 2a5m s GLN 106 Cb 0.00 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 2a5m s GLN 106 CO 0.00 -0.03 -0.20 1.41 -0.55 0.00 0.00 175.29 175.93 2a5m s MET 107 N -2.25 2.14 -0.03 1.67 -2.45 -1.26 -1.16 119.30 115.96 2a5m s MET 107 Ca 0.54 -0.93 0.03 0.00 -1.25 0.00 0.00 55.69 54.09 2a5m s MET 107 Cb -0.23 -2.18 0.00 0.00 1.25 0.00 0.00 34.83 33.67 2a5m s MET 107 CO 0.30 0.56 -0.11 0.71 1.05 0.00 0.00 175.02 177.53 2a5m s TYR 108 N -0.81 1.12 -0.06 4.11 2.02 -0.70 -4.97 117.35 118.06 2a5m s TYR 108 Ca 0.13 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 2a5m s TYR 108 Cb -0.10 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 2a5m s TYR 108 CO 0.03 -0.11 -0.22 -2.00 -1.57 0.00 0.00 175.55 171.67 2a5m s GLU 109 N 0.16 2.33 0.02 -0.62 2.12 -1.26 -1.22 118.70 120.23 2a5m s GLU 109 Ca -0.03 -0.81 -0.14 0.00 0.36 0.00 0.00 54.97 54.35 2a5m s GLU 109 Cb -0.09 -1.97 0.02 0.00 0.26 0.00 0.00 34.13 32.35 2a5m s GLU 109 CO 0.01 0.33 0.30 -0.08 -0.54 0.00 0.00 175.26 175.28 2a5m s THR 110 N -0.07 0.07 -1.03 -1.70 -1.32 -0.71 -5.00 115.64 105.89 2a5m s THR 110 Ca -0.05 -0.61 0.12 0.00 -1.21 0.00 0.00 61.69 59.95 2a5m s THR 110 Cb -0.13 -0.82 0.36 0.00 -1.51 0.00 0.00 72.50 70.39 2a5m s THR 110 CO 0.03 -0.34 1.30 0.35 -2.21 0.00 0.00 174.62 173.76 2a5m n THR 111 N 0.82 1.05 -4.50 5.08 -2.24 -1.26 -2.09 114.28 111.15 2a5m n THR 111 Ca -0.20 -1.03 -0.24 0.00 -2.27 0.00 0.00 64.05 60.31 2a5m n THR 111 Cb 0.58 0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.07 1.71 0.70 -0.78 2.02 -1.26 -4.92 118.70 115.10 2a5m s GLU 112 Ca 0.27 -1.85 -0.15 0.00 0.02 0.00 0.00 54.97 53.26 2a5m s GLU 112 Cb 0.15 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.81 2a5m s GLU 112 CO 0.18 0.17 1.16 -0.51 0.02 0.00 0.00 175.26 176.27 2a5m s ASP 113 N -3.54 4.64 -0.23 -0.19 1.11 -1.26 -4.93 116.67 112.27 2a5m s ASP 113 Ca 0.31 2.17 0.02 0.00 0.18 0.00 0.00 52.55 55.22 2a5m s ASP 113 Cb 0.01 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.48 2a5m s ASP 113 CO 0.15 -1.95 -0.09 0.00 1.18 0.00 0.00 175.17 174.46 2a5m h PRO 115 N 7.90 0.24 -2.92 0.00 0.13 -1.89 -2.34 132.00 133.12 2a5m h PRO 115 Ca -0.22 -0.30 -0.44 0.00 -0.87 0.00 0.00 66.00 64.17 2a5m h PRO 115 Cb 1.07 0.10 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 2a5m h PRO 115 CO 0.45 1.05 -0.73 -1.12 -0.23 0.00 0.00 178.00 177.42 2a5m s SER 116 N -6.99 2.34 0.22 1.44 0.01 -1.26 -2.10 113.70 107.36 2a5m s SER 116 Ca -0.03 -0.65 -0.07 0.00 1.31 0.00 0.00 55.95 56.51 2a5m s SER 116 Cb 0.09 -0.14 0.18 0.00 0.21 0.00 0.00 66.02 66.36 2a5m s SER 116 CO 0.85 -0.36 1.78 0.40 0.41 0.00 0.00 173.24 176.32 2a5m h ILE 117 N 6.40 1.26 -0.47 1.44 2.04 -1.22 -1.98 117.51 124.98 2a5m h ILE 117 Ca -0.16 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 2a5m h ILE 117 Cb 1.13 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2a5m h ILE 117 CO 0.31 0.34 -0.09 -0.03 0.00 0.00 0.00 178.15 178.68 2a5m h MET 118 N 1.12 0.84 -0.32 2.37 4.05 -1.81 0.40 114.93 121.58 2a5m h MET 118 Ca 0.25 -0.28 -0.17 0.00 -0.28 0.00 0.00 59.70 59.23 2a5m h MET 118 Cb 0.24 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2a5m h MET 118 CO -0.02 0.90 -0.45 0.93 0.23 0.00 0.00 176.91 178.50 2a5m h GLU 119 N 0.76 0.85 0.05 0.39 5.08 -1.85 0.71 114.58 120.58 2a5m h GLU 119 Ca 0.13 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 2a5m h GLU 119 Cb 0.58 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2a5m h GLU 119 CO 0.04 1.12 -0.45 0.37 -1.00 0.00 0.00 179.01 179.09 2a5m h GLN 120 N 0.68 0.11 -0.01 2.33 4.15 -1.14 -3.40 115.11 117.84 2a5m h GLN 120 Ca 0.04 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2a5m h GLN 120 Cb 1.04 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.80 2a5m h GLN 120 CO 0.10 1.09 -0.10 1.19 -1.93 0.00 0.00 178.83 179.18 2a5m n PHE 121 N -4.40 0.00 -2.81 3.99 3.72 0.14 -4.99 117.46 113.11 2a5m n PHE 121 Ca -0.14 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.06 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 0.11 -1.59 -4.89 1.38 8.25 0.24 -4.95 115.22 113.77 2a5m n HIS 122 Ca 0.05 0.37 -0.33 0.00 -0.26 0.00 0.00 57.72 57.55 2a5m n HIS 122 Cb 0.22 -4.08 -0.14 0.00 1.12 0.00 0.00 29.99 27.11 2a5m n HIS 122 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a5m s LEU 123 N -5.95 2.66 0.18 2.41 1.43 -1.24 -4.95 118.68 113.23 2a5m s LEU 123 Ca 0.21 -0.28 0.22 0.00 -1.03 0.00 0.00 54.13 53.25 2a5m s LEU 123 Cb -0.09 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2a5m s LEU 123 CO 0.26 0.27 1.01 0.08 0.23 0.00 0.00 176.35 178.20 2a5m h ARG 124 N 5.93 0.00 -3.76 1.70 0.11 -1.93 -3.21 114.38 113.22 2a5m h ARG 124 Ca -0.37 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.62 2a5m h ARG 124 Cb 1.18 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.14 2a5m h ARG 124 CO 0.52 0.05 -0.25 -1.21 0.10 0.00 0.00 179.97 179.18 2a5m s GLU 125 N -3.30 1.19 -0.10 0.08 2.02 -1.26 -4.52 118.70 112.81 2a5m s GLU 125 Ca -0.01 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.89 2a5m s GLU 125 Cb 0.09 0.41 0.02 0.00 0.10 0.00 0.00 34.13 34.75 2a5m s GLU 125 CO 0.79 -0.45 -0.12 0.42 0.02 0.00 0.00 175.26 175.93 2a5m s ILE 126 N -3.94 1.25 -0.25 -1.63 -1.09 -0.83 -4.90 121.20 109.80 2a5m s ILE 126 Ca 0.15 -0.48 0.10 0.00 -2.23 0.00 0.00 60.65 58.19 2a5m s ILE 126 Cb 0.02 -1.18 -0.13 0.00 -1.58 0.00 0.00 42.46 39.59 2a5m s ILE 126 CO -0.01 0.39 0.33 1.41 -1.23 0.00 0.00 174.94 175.83 2a5m n HIS 127 N 4.39 0.00 -3.50 3.97 8.25 -1.26 -4.69 115.22 122.39 2a5m n HIS 127 Ca -0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 2a5m n HIS 127 Cb 0.51 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 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 -2.50 -0.51 -0.25 0.41 1.04 -1.25 -2.76 113.70 107.87 2a5m s SER 128 Ca 0.00 0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.44 2a5m s SER 128 Cb 0.07 0.48 0.14 0.00 0.10 0.00 0.00 66.02 66.81 2a5m s SER 128 CO 0.41 -0.67 1.12 0.00 0.98 0.00 0.00 173.24 175.08 2a5m s LYS 130 N -0.24 1.57 -0.09 0.00 -2.85 -1.19 -1.87 119.74 115.06 2a5m s LYS 130 Ca 0.03 -1.95 -0.03 0.00 -1.00 0.00 0.00 55.97 53.02 2a5m s LYS 130 Cb -0.04 -3.25 -0.03 0.00 -2.06 0.00 0.00 37.83 32.45 2a5m s LYS 130 CO -0.06 -0.97 0.03 0.54 0.10 0.00 0.00 175.35 175.00 2a5m s VAL 131 N 0.80 4.58 -0.44 1.79 0.11 -1.26 -4.21 120.40 121.77 2a5m s VAL 131 Ca 0.11 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2a5m s VAL 131 Cb -0.20 -2.94 0.13 0.00 -1.53 0.00 0.00 36.38 31.83 2a5m s VAL 131 CO -0.07 0.61 0.21 -0.69 -3.33 0.00 0.00 175.10 171.83 2a5m s VAL 132 N -0.91 1.80 0.00 2.04 1.01 -1.26 -3.87 120.40 119.21 2a5m s VAL 132 Ca 0.14 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.47 2a5m s VAL 132 Cb -0.11 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2a5m s VAL 132 CO 0.03 -0.81 0.00 1.21 0.00 0.00 0.00 175.10 175.53 2a5m n GLU 133 N 3.62 0.00 0.00 2.72 2.13 -1.26 -4.78 120.64 123.07 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 0.48 3.52 2.81 8.31 0.00 -1.26 -4.62 105.19 114.41 2a5m n GLY 134 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 1.21 0.02 2.61 -4.23 -1.26 -3.90 115.64 110.09 2a5m s THR 135 Ca 0.00 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 2a5m s THR 135 Cb 0.00 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2a5m s THR 135 CO 0.00 -0.63 -0.14 0.26 -0.54 0.00 0.00 174.62 173.58 2a5m s TRP 136 N 1.45 1.23 -0.08 3.99 0.52 -0.89 -2.20 118.94 122.96 2a5m s TRP 136 Ca 0.09 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 55.95 2a5m s TRP 136 Cb -0.18 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.38 2a5m s TRP 136 CO -0.20 0.02 -0.22 0.42 0.02 0.00 0.00 176.95 176.98 2a5m s ILE 137 N -0.66 2.28 -0.03 2.03 1.01 -0.45 -0.34 121.20 125.04 2a5m s ILE 137 Ca 0.03 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2a5m s ILE 137 Cb -0.07 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2a5m s ILE 137 CO 0.01 0.56 -0.09 -0.36 0.00 0.00 0.00 174.94 175.06 2a5m s PHE 138 N -0.01 2.86 0.04 3.97 0.40 0.05 -1.01 117.98 124.28 2a5m s PHE 138 Ca -0.07 -0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 2a5m s PHE 138 Cb -0.15 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2a5m s PHE 138 CO 0.05 0.32 -0.22 0.71 0.70 0.00 0.00 175.22 176.78 2a5m s TYR 139 N -0.88 1.90 0.22 0.36 1.51 0.83 -0.42 117.35 120.87 2a5m s TYR 139 Ca 0.14 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 2a5m s TYR 139 Cb -0.11 -1.14 0.17 0.00 -0.11 0.00 0.00 41.96 40.77 2a5m s TYR 139 CO 0.04 0.09 1.50 1.49 -1.11 0.00 0.00 175.55 177.56 2a5m h GLU 140 N 4.92 0.11 -6.43 -0.62 4.81 -1.36 -1.52 114.58 114.49 2a5m h GLU 140 Ca -0.43 -0.10 -0.62 0.00 -0.13 0.00 0.00 59.36 58.08 2a5m h GLU 140 Cb 1.15 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 2a5m h GLU 140 CO 0.44 0.78 -0.73 -0.51 -0.73 0.00 0.00 179.01 178.27 2a5m s LEU 141 N -7.55 2.91 1.10 1.64 1.43 -0.01 -3.41 118.68 114.79 2a5m s LEU 141 Ca -0.02 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.30 2a5m s LEU 141 Cb 0.12 -1.58 0.19 0.00 0.03 0.00 0.00 46.19 44.95 2a5m s LEU 141 CO 0.79 0.09 0.68 -0.81 0.23 0.00 0.00 176.35 177.33 2a5m n PRO 142 N -0.05 -1.68 -2.53 1.29 -0.04 -1.26 -2.44 135.00 128.29 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 -2.03 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2a5m n PRO 142 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2a5m n ASN 143 N -3.50 -6.01 -3.47 3.54 2.85 -0.89 -2.89 115.26 104.89 2a5m n ASN 143 Ca 0.04 -0.08 -0.18 0.00 -0.11 0.00 0.00 54.58 54.25 2a5m n ASN 143 Cb 0.56 -4.97 0.07 0.00 1.24 0.00 0.00 39.78 36.68 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2a5m n TYR 144 N -4.13 -2.16 -4.41 1.20 4.01 -1.23 -5.02 117.16 105.42 2a5m n TYR 144 Ca -0.22 0.89 -0.20 0.00 -0.16 0.00 0.00 57.90 58.20 2a5m n TYR 144 Cb 0.68 -4.71 -0.10 0.00 -0.31 0.00 0.00 39.34 34.89 2a5m n TYR 144 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2a5m s ARG 145 N -5.36 1.52 0.83 -0.72 1.81 -1.02 -5.02 118.95 110.99 2a5m s ARG 145 Ca 0.09 -1.78 0.00 0.00 -1.72 0.00 0.00 55.73 52.33 2a5m s ARG 145 Cb -0.02 -1.03 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 0.00 175.30 175.77 2a5m n GLY 146 N -0.56 -1.81 3.77 -3.53 0.00 -1.26 -0.83 105.19 100.96 2a5m n GLY 146 Ca -0.05 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 2a5m n GLY 146 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 147 N 0.00 4.17 0.06 1.61 3.52 -1.26 -4.71 118.95 122.33 2a5m s ARG 147 Ca 0.00 1.96 0.06 0.00 -0.13 0.00 0.00 55.73 57.62 2a5m s ARG 147 Cb 0.00 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 2a5m s ARG 147 CO 0.00 -0.26 -0.10 -0.65 -0.81 0.00 0.00 175.30 173.48 2a5m s GLN 148 N -2.09 2.25 -0.06 5.12 -0.21 -1.26 -1.72 119.66 121.70 2a5m s GLN 148 Ca 0.54 -0.92 0.05 0.00 0.02 0.00 0.00 55.36 55.05 2a5m s GLN 148 Cb -0.34 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.32 2a5m s GLN 148 CO 0.43 0.54 -0.20 0.71 -2.12 0.00 0.00 175.29 174.66 2a5m s TYR 149 N -1.09 2.03 -0.26 0.91 2.02 0.44 -4.57 117.35 116.82 2a5m s TYR 149 Ca 0.19 -0.64 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 2a5m s TYR 149 Cb -0.11 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 2a5m s TYR 149 CO 0.10 -0.23 0.33 -1.17 -1.57 0.00 0.00 175.55 173.02 2a5m s LEU 150 N 0.07 4.05 -0.01 -1.29 2.96 -1.26 -0.77 118.68 122.43 2a5m s LEU 150 Ca -0.07 0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 2a5m s LEU 150 Cb -0.13 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2a5m s LEU 150 CO 0.04 -0.13 0.23 -0.76 -1.32 0.00 0.00 176.35 174.41 2a5m s LEU 151 N 1.86 4.37 0.00 -0.68 1.02 0.54 -4.96 118.68 120.83 2a5m s LEU 151 Ca 0.14 0.49 0.03 0.00 0.02 0.00 0.00 54.13 54.80 2a5m s LEU 151 Cb -0.16 -2.61 0.03 0.00 0.02 0.00 0.00 46.19 43.48 2a5m s LEU 151 CO 0.09 0.27 0.25 0.47 0.02 0.00 0.00 176.35 177.45 2a5m n ASP 152 N 1.14 1.85 -1.16 2.29 9.92 -1.26 -2.09 116.55 127.24 2a5m n ASP 152 Ca -0.12 -2.01 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 2a5m n ASP 152 Cb 0.53 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 2a5m n ASP 152 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2a5m n LYS 153 N -1.26 0.65 -3.88 -1.24 2.85 -1.25 -4.51 118.16 109.52 2a5m n LYS 153 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 2a5m n LYS 153 Cb 0.34 -1.17 -0.03 0.00 -0.65 0.00 0.00 35.03 33.51 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 0.43 2.32 -0.18 -1.58 2.20 -1.25 -4.72 119.74 116.97 2a5m s LYS 154 Ca 0.00 -1.84 -0.06 0.00 -0.36 0.00 0.00 55.97 53.71 2a5m s LYS 154 Cb 0.00 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.15 2a5m s LYS 154 CO 0.00 -0.34 0.03 -1.21 -0.36 0.00 0.00 175.35 173.47 2a5m s GLU 155 N -4.12 3.86 -0.39 4.03 0.41 -1.26 -4.02 118.70 117.21 2a5m s GLU 155 Ca 0.39 -0.41 -0.14 0.00 -0.41 0.00 0.00 54.97 54.41 2a5m s GLU 155 Cb -0.01 -3.13 0.01 0.00 -1.78 0.00 0.00 34.13 29.23 2a5m s GLU 155 CO 0.23 0.24 0.28 0.71 -0.49 0.00 0.00 175.26 176.22 2a5m s TYR 156 N 0.44 3.24 -0.10 1.61 1.51 -0.78 -4.94 117.35 118.33 2a5m s TYR 156 Ca 0.01 -0.51 0.16 0.00 -1.01 0.00 0.00 57.07 55.72 2a5m s TYR 156 Cb -0.13 -2.55 -0.15 0.00 -0.11 0.00 0.00 41.96 39.02 2a5m s TYR 156 CO 0.01 -0.53 0.81 0.07 -1.11 0.00 0.00 175.55 174.81 2a5m h ARG 157 N 8.57 0.00 -6.08 -0.62 -0.00 -1.85 -2.03 114.38 112.37 2a5m h ARG 157 Ca -0.28 0.00 -0.55 0.00 -0.00 0.00 0.00 59.98 59.15 2a5m h ARG 157 Cb 1.13 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 30.92 2a5m h ARG 157 CO 0.70 0.35 -0.79 0.15 -0.00 0.00 0.00 179.97 180.38 2a5m s LYS 158 N -2.84 1.34 0.23 0.08 1.02 -1.25 -0.89 119.74 117.42 2a5m s LYS 158 Ca -0.03 -1.45 -0.06 0.00 0.02 0.00 0.00 55.97 54.45 2a5m s LYS 158 Cb 0.08 -1.45 0.21 0.00 -0.52 0.00 0.00 37.83 36.15 2a5m s LYS 158 CO 0.81 0.30 1.80 -1.00 -0.92 0.00 0.00 175.35 176.34 2a5m h PRO 159 N 3.19 1.15 0.00 -1.68 0.13 -1.83 -1.83 132.00 131.12 2a5m h PRO 159 Ca -0.43 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2a5m h PRO 159 Cb 1.21 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2a5m h PRO 159 CO 0.51 0.92 0.00 0.28 -0.23 0.00 0.00 178.00 179.48 2a5m h VAL 160 N 1.12 0.00 0.00 1.56 2.07 -1.92 -2.30 116.25 116.78 2a5m h VAL 160 Ca 0.26 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2a5m h VAL 160 Cb 0.20 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2a5m h VAL 160 CO -0.02 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.01 2a5m h ASP 161 N 0.00 0.00 -0.62 0.57 5.19 -1.63 -2.12 116.42 117.81 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 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 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 -2.83 1.53 -0.73 4.55 2.14 -0.86 -4.92 117.44 116.31 2a5m n TRP 162 Ca -0.00 -0.64 0.00 0.00 2.07 0.00 0.00 57.50 58.93 2a5m n TRP 162 Cb 0.20 -0.28 0.00 0.00 -0.81 0.00 0.00 31.31 30.42 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 0.97 0.62 3.86 -1.67 0.00 -0.80 -4.66 105.19 103.51 2a5m n GLY 163 Ca 0.26 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.36 4.61 0.00 -1.25 -4.98 121.76 120.60 2a5m s ALA 164 Ca 0.00 -0.68 0.28 0.00 0.00 0.00 0.00 51.96 51.56 2a5m s ALA 164 Cb 0.00 -1.90 1.08 0.00 0.00 0.00 0.00 23.12 22.31 2a5m s ALA 164 CO 0.00 0.63 1.79 0.00 0.00 0.00 0.00 175.76 178.18 2a5m n ALA 165 N 1.88 2.81 -3.03 0.00 0.00 -1.26 -3.86 120.51 117.05 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 -1.12 0.00 0.00 0.00 177.50 176.38 2a5m s SER 166 N -2.71 0.15 0.00 0.00 0.01 -1.26 -4.99 113.70 104.89 2a5m s SER 166 Ca 0.22 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2a5m s SER 166 Cb 0.19 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2a5m s SER 166 CO 0.53 -0.32 0.48 -0.81 0.41 0.00 0.00 173.24 173.54 2a5m n PRO 167 N 1.58 0.74 -2.74 12.44 -0.04 -1.26 -4.80 135.00 140.91 2a5m n PRO 167 Ca -0.23 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 2a5m n PRO 167 Cb 0.55 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.31 3.64 -0.17 0.55 0.00 -1.26 -1.97 121.76 121.24 2a5m s ALA 168 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 2a5m s ALA 168 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.75 2a5m s ALA 168 CO 0.00 -0.95 0.38 0.42 0.00 0.00 0.00 175.76 175.61 2a5m s ILE 169 N 2.93 -0.36 -0.34 0.00 1.09 -1.26 -4.66 121.20 118.60 2a5m s ILE 169 Ca 0.41 0.16 0.09 0.00 -1.10 0.00 0.00 60.65 60.22 2a5m s ILE 169 Cb -0.15 -0.59 -0.11 0.00 -1.06 0.00 0.00 42.46 40.55 2a5m s ILE 169 CO 0.08 0.07 0.35 0.00 -0.10 0.00 0.00 174.94 175.33 2a5m n GLN 170 N 4.92 3.12 -3.53 2.79 1.13 -0.59 -4.48 117.38 120.75 2a5m n GLN 170 Ca -0.14 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 54.79 2a5m n GLN 170 Cb 0.52 -1.00 -0.03 0.00 0.11 0.00 0.00 30.24 29.83 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 -2.15 -0.41 0.02 1.08 1.04 -1.10 -0.75 113.70 111.45 2a5m s SER 171 Ca 0.02 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 2a5m s SER 171 Cb 0.07 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2a5m s SER 171 CO 0.38 -0.92 0.38 0.72 0.98 0.00 0.00 173.24 174.78 2a5m s PHE 172 N -3.78 -0.23 0.00 5.02 -0.12 -0.88 -0.12 117.98 117.88 2a5m s PHE 172 Ca 0.02 0.23 -0.06 0.00 -0.05 0.00 0.00 56.93 57.07 2a5m s PHE 172 Cb 0.00 0.17 -0.00 0.00 -0.63 0.00 0.00 43.02 42.56 2a5m s PHE 172 CO -0.12 -0.52 0.10 1.03 -0.05 0.00 0.00 175.22 175.66 2a5m s ARG 173 N -2.16 0.43 0.17 1.99 0.52 -0.18 -1.75 118.95 117.98 2a5m s ARG 173 Ca -0.07 -0.40 -0.21 0.00 -0.52 0.00 0.00 55.73 54.52 2a5m s ARG 173 Cb -0.02 0.17 -0.08 0.00 0.52 0.00 0.00 34.95 35.55 2a5m s ARG 173 CO -0.00 -0.10 0.70 -0.98 0.02 0.00 0.00 175.30 174.94 2a5m s ARG 174 N -1.30 4.32 -0.15 3.54 1.70 -1.26 -1.34 118.95 124.46 2a5m s ARG 174 Ca -0.14 0.90 -0.17 0.00 -0.47 0.00 0.00 55.73 55.86 2a5m s ARG 174 Cb -0.08 -3.07 -0.04 0.00 -0.57 0.00 0.00 34.95 31.19 2a5m s ARG 174 CO 0.01 0.50 0.42 0.42 -1.08 0.00 0.00 175.30 175.57 2a5m s ILE 175 N -1.32 5.21 0.02 4.99 1.01 -0.94 -4.93 121.20 125.25 2a5m s ILE 175 Ca 0.38 0.81 0.01 0.00 0.00 0.00 0.00 60.65 61.84 2a5m s ILE 175 Cb -0.19 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2a5m s ILE 175 CO 0.22 0.31 -0.04 0.68 0.00 0.00 0.00 174.94 176.11 2a5m s VAL 176 N 0.80 0.23 0.00 2.92 -7.23 -1.26 -4.89 120.40 110.98 2a5m s VAL 176 Ca 0.22 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 2a5m s VAL 176 Cb -0.15 -0.34 0.00 0.00 0.56 0.00 0.00 36.38 36.45 2a5m s VAL 176 CO 0.08 -0.41 0.00 1.21 -0.31 0.00 0.00 175.10 175.67