#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 2.39 0.00 1.43 1.02 -1.26 -4.90 119.74 118.42 2a5m s LYS 2 Ca 0.00 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.81 2a5m s LYS 2 Cb 0.00 -4.52 0.00 0.00 -0.52 0.00 0.00 37.83 32.79 2a5m s LYS 2 CO 0.00 -3.05 0.00 0.25 -0.92 0.00 0.00 175.35 171.63 2a5m n THR 3 N 7.60 0.00 0.00 2.17 -2.24 -1.26 -5.13 114.28 115.42 2a5m n THR 3 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2a5m n THR 3 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.52 3.81 3.38 0.00 -1.26 -5.15 105.19 109.45 2a5m n GLY 4 Ca 0.00 0.93 -0.34 0.00 0.00 0.00 0.00 46.02 46.61 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 2.50 -0.16 -0.02 0.00 -1.26 -4.72 107.32 103.66 2a5m s GLY 5 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.08 2a5m s GLY 5 CO 0.00 0.80 0.40 1.25 0.00 0.00 0.00 173.10 175.55 2a5m s LYS 6 N -2.98 0.44 -0.00 2.90 2.20 -0.65 -4.57 119.74 117.09 2a5m s LYS 6 Ca 0.61 0.63 0.04 0.00 -0.36 0.00 0.00 55.97 56.89 2a5m s LYS 6 Cb -0.13 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.33 2a5m s LYS 6 CO 0.17 -0.09 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.44 2a5m s ILE 7 N 0.59 1.01 -0.10 5.43 2.07 -0.84 -1.09 121.20 128.27 2a5m s ILE 7 Ca -0.03 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.66 2a5m s ILE 7 Cb -0.05 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.70 2a5m s ILE 7 CO -0.04 0.25 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.58 2a5m s SER 8 N -0.38 2.97 -0.08 4.50 0.01 0.80 -1.45 113.70 120.08 2a5m s SER 8 Ca 0.05 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 2a5m s SER 8 Cb -0.05 -1.36 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 2a5m s SER 8 CO -0.00 0.14 -0.05 -0.36 0.41 0.00 0.00 173.24 173.37 2a5m s PHE 9 N 0.44 3.00 -0.02 2.43 0.40 0.04 -0.27 117.98 124.01 2a5m s PHE 9 Ca -0.17 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 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 0.07 0.35 -0.21 0.71 0.70 0.00 0.00 175.22 176.85 2a5m s TYR 10 N -0.77 1.85 0.31 0.36 1.51 -0.52 -0.85 117.35 119.23 2a5m s TYR 10 Ca 0.12 -0.36 0.19 0.00 -1.01 0.00 0.00 57.07 56.00 2a5m s TYR 10 Cb -0.11 -1.19 0.90 0.00 -0.11 0.00 0.00 41.96 41.45 2a5m s TYR 10 CO 0.02 -0.04 1.86 0.93 -1.11 0.00 0.00 175.55 177.21 2a5m h GLU 11 N 5.67 0.00 -5.88 -0.62 5.08 -1.38 -0.25 114.58 117.20 2a5m h GLU 11 Ca -0.39 0.00 -0.57 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 0.48 0.30 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.78 2a5m s ASP 12 N -6.56 4.38 0.66 1.42 1.01 -0.59 -3.72 116.67 113.27 2a5m s ASP 12 Ca -0.02 -1.10 -0.12 0.00 0.71 0.00 0.00 52.55 52.02 2a5m s ASP 12 Cb 0.13 -0.47 -0.01 0.00 1.01 0.00 0.00 42.92 43.58 2a5m s ASP 12 CO 0.67 -0.54 1.06 -0.13 0.21 0.00 0.00 175.17 176.45 2a5m s ARG 13 N -3.89 3.06 -1.12 8.23 0.52 -1.26 -3.64 118.95 120.85 2a5m s ARG 13 Ca 0.41 1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 56.60 2a5m s ARG 13 Cb 0.04 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2a5m s ARG 13 CO 0.22 -1.00 0.39 0.09 0.02 0.00 0.00 175.30 175.02 2a5m n ASN 14 N -2.81 -4.78 -4.02 0.23 3.02 0.24 -2.97 115.26 104.17 2a5m n ASN 14 Ca 0.08 -0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 54.14 2a5m n ASN 14 Cb 0.53 -3.67 -0.01 0.00 -0.61 0.00 0.00 39.78 36.03 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2a5m n PHE 15 N -4.14 -1.86 -4.08 3.10 -1.74 -1.25 -4.97 117.46 102.52 2a5m n PHE 15 Ca -0.09 0.81 -0.23 0.00 -0.56 0.00 0.00 57.45 57.38 2a5m n PHE 15 Cb 0.59 -3.58 -0.06 0.00 1.52 0.00 0.00 39.48 37.95 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 -6.65 2.35 0.72 3.97 -0.21 -1.16 -5.01 119.66 113.67 2a5m s GLN 16 Ca 0.41 -1.59 0.00 0.00 0.02 0.00 0.00 55.36 54.20 2a5m s GLN 16 Cb -0.22 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.64 2a5m s GLN 16 CO 0.88 0.07 0.00 0.41 -2.12 0.00 0.00 175.29 174.53 2a5m n GLY 17 N -1.18 -1.87 3.77 3.09 0.00 -1.26 -1.55 105.19 106.20 2a5m n GLY 17 Ca -0.02 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 4.06 0.12 1.61 3.52 -1.26 -4.74 118.95 122.27 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 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 2a5m s ARG 18 CO 0.00 -0.36 -0.25 0.50 -0.81 0.00 0.00 175.30 174.38 2a5m s ARG 19 N -2.20 1.32 -0.05 5.12 3.00 -1.26 -1.49 118.95 123.38 2a5m s ARG 19 Ca 0.56 -1.29 0.01 0.00 -1.00 0.00 0.00 55.73 54.01 2a5m s ARG 19 Cb -0.34 -1.75 0.02 0.00 0.00 0.00 0.00 34.95 32.88 2a5m s ARG 19 CO 0.43 0.41 -0.05 -0.47 0.00 0.00 0.00 175.30 175.63 2a5m s TYR 20 N -1.09 0.87 -0.09 5.12 5.04 -0.03 -4.96 117.35 122.21 2a5m s TYR 20 Ca 0.12 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 2a5m s TYR 20 Cb -0.10 -0.76 -0.03 0.00 0.35 0.00 0.00 41.96 41.43 2a5m s TYR 20 CO 0.05 -0.23 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.44 2a5m s ASP 21 N 1.03 4.46 -0.02 4.32 1.01 -1.26 -0.78 116.67 125.43 2a5m s ASP 21 Ca -0.09 -0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.09 2a5m s ASP 21 Cb -0.14 -1.27 -0.00 0.00 1.01 0.00 0.00 42.92 42.51 2a5m s ASP 21 CO -0.00 0.30 -0.11 0.00 0.21 0.00 0.00 175.17 175.56 2a5m n ASP 23 N 3.05 2.33 -3.42 0.00 5.75 -1.26 -1.99 116.55 121.01 2a5m n ASP 23 Ca -0.16 -2.05 -0.09 0.00 -0.01 0.00 0.00 54.79 52.48 2a5m n ASP 23 Cb 0.55 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a5m s ASP 25 N -3.02 5.75 -0.13 0.00 1.47 -1.26 -4.74 116.67 114.74 2a5m s ASP 25 Ca 0.15 2.78 -0.01 0.00 1.18 0.00 0.00 52.55 56.66 2a5m s ASP 25 Cb -0.05 -2.64 0.03 0.00 -0.34 0.00 0.00 42.92 39.93 2a5m s ASP 25 CO 0.10 -1.25 -0.04 0.00 0.68 0.00 0.00 175.17 174.66 2a5m h ALA 27 N 8.20 0.80 -1.52 0.00 0.00 -1.90 -1.77 119.26 123.08 2a5m h ALA 27 Ca -0.24 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 2a5m h ALA 27 Cb 1.12 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.58 2a5m h ALA 27 CO 0.36 0.55 -0.48 0.34 0.00 0.00 0.00 179.25 180.02 2a5m s ASP 28 N -6.42 -0.19 0.00 0.00 -1.08 -1.26 -4.02 116.67 103.71 2a5m s ASP 28 Ca 0.02 -0.13 0.18 0.00 -0.52 0.00 0.00 52.55 52.11 2a5m s ASP 28 Cb 0.09 1.38 0.45 0.00 -1.46 0.00 0.00 42.92 43.37 2a5m s ASP 28 CO 0.72 -0.33 1.37 2.22 0.52 0.00 0.00 175.17 179.66 2a5m n PHE 29 N 5.37 0.64 0.29 -5.34 -1.74 -1.23 -4.50 117.46 110.95 2a5m n PHE 29 Ca 0.01 -0.42 0.17 0.00 -0.56 0.00 0.00 57.45 56.66 2a5m n PHE 29 Cb 0.51 -0.01 0.96 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 3.41 0.00 0.00 3.97 3.08 -1.80 0.08 114.38 123.12 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 1.03 -1.07 0.00 0.00 179.97 179.93 2a5m h SER 31 N 0.00 0.00 0.00 7.04 0.87 -1.99 -3.10 113.55 116.37 2a5m h SER 31 Ca 0.02 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2a5m h SER 31 Cb 0.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2a5m h SER 31 CO -0.00 0.00 -1.89 -1.22 -0.53 0.00 0.00 176.83 173.19 2a5m n TYR 32 N -2.54 0.00 -3.70 2.24 4.02 -0.05 -4.95 117.16 112.18 2a5m n TYR 32 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.81 2a5m n TYR 32 Cb 0.34 -0.50 -0.11 0.00 -0.02 0.00 0.00 39.34 39.05 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 -4.46 -0.03 0.00 7.72 2.96 -0.80 -4.84 118.68 119.24 2a5m s LEU 33 Ca -0.07 0.81 0.27 0.00 -0.22 0.00 0.00 54.13 54.91 2a5m s LEU 33 Cb 0.10 1.19 0.83 0.00 0.50 0.00 0.00 46.19 48.80 2a5m s LEU 33 CO 0.73 -0.19 1.64 -1.54 -1.32 0.00 0.00 176.35 175.67 2a5m n SER 34 N 4.38 0.28 -3.57 3.68 3.41 -1.26 -4.19 113.62 116.36 2a5m n SER 34 Ca -0.22 0.07 -0.06 0.00 -0.26 0.00 0.00 58.87 58.41 2a5m n SER 34 Cb 0.54 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2a5m n SER 34 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2a5m s ARG 35 N -3.00 0.63 -0.14 4.33 6.06 -1.26 -4.98 118.95 120.60 2a5m s ARG 35 Ca 0.12 -0.26 -0.04 0.00 -2.50 0.00 0.00 55.73 53.06 2a5m s ARG 35 Cb 0.18 0.27 0.06 0.00 0.06 0.00 0.00 34.95 35.53 2a5m s ARG 35 CO 0.63 -0.28 0.14 0.00 -2.50 0.00 0.00 175.30 173.29 2a5m n ASN 37 N 5.31 2.21 -3.58 0.00 4.13 -0.11 -4.50 115.26 118.72 2a5m n ASN 37 Ca -0.05 -1.60 -0.15 0.00 1.68 0.00 0.00 54.58 54.46 2a5m n ASN 37 Cb 0.50 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.66 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2a5m s SER 38 N -1.12 -0.46 -0.01 6.41 1.04 -1.19 0.13 113.70 118.50 2a5m s SER 38 Ca 0.17 0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.80 2a5m s SER 38 Cb 0.12 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2a5m s SER 38 CO 0.17 -0.68 0.17 -0.63 0.98 0.00 0.00 173.24 173.25 2a5m s ILE 39 N -2.10 0.07 -0.12 -1.02 1.01 -0.78 -1.44 121.20 116.82 2a5m s ILE 39 Ca -0.07 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2a5m s ILE 39 Cb -0.01 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2a5m s ILE 39 CO 0.01 -0.31 -0.17 -0.60 0.00 0.00 0.00 174.94 173.88 2a5m s ARG 40 N -1.16 2.39 -0.33 2.79 3.52 0.63 -1.05 118.95 125.75 2a5m s ARG 40 Ca -0.12 -0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 54.76 2a5m s ARG 40 Cb -0.06 -2.02 0.01 0.00 -1.56 0.00 0.00 34.95 31.32 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 4.38 0.03 7.11 1.01 0.12 -0.14 120.40 133.90 2a5m s VAL 41 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2a5m s VAL 41 Cb -0.15 -3.33 -0.26 0.00 0.00 0.00 0.00 36.38 32.64 2a5m s VAL 41 CO -0.02 -0.05 0.94 -0.08 0.00 0.00 0.00 175.10 175.89 2a5m h GLU 42 N 8.34 0.19 -1.92 2.72 4.22 -1.34 -1.58 114.58 125.21 2a5m h GLU 42 Ca -0.29 -0.32 -0.01 0.00 0.08 0.00 0.00 59.36 58.82 2a5m h GLU 42 Cb 1.12 0.12 -0.20 0.00 0.50 0.00 0.00 28.75 30.29 2a5m h GLU 42 CO 0.63 1.05 0.30 0.20 -2.18 0.00 0.00 179.01 179.01 2a5m s GLY 43 N -4.89 -0.49 0.00 1.92 0.00 -1.17 -4.83 107.32 97.86 2a5m s GLY 43 Ca -0.06 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.14 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 0.77 -1.28 3.74 0.20 0.00 -1.26 -1.63 105.19 105.73 2a5m n GLY 44 Ca -0.16 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.58 3.82 -0.04 2.61 2.01 -1.26 -3.17 115.64 118.03 2a5m s THR 45 Ca 0.00 -1.66 -0.12 0.00 0.31 0.00 0.00 61.69 60.22 2a5m s THR 45 Cb 0.00 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.43 2a5m s THR 45 CO 0.00 -0.34 0.27 0.26 -0.69 0.00 0.00 174.62 174.12 2a5m s TRP 46 N -2.26 -0.18 -0.14 4.92 0.52 -0.50 -1.77 118.94 119.54 2a5m s TRP 46 Ca 0.33 0.35 -0.03 0.00 0.02 0.00 0.00 56.10 56.77 2a5m s TRP 46 Cb -0.07 0.07 -0.03 0.00 -1.15 0.00 0.00 33.47 32.30 2a5m s TRP 46 CO 0.23 -0.30 -0.04 0.00 0.02 0.00 0.00 176.95 176.86 2a5m s ALA 47 N -0.88 3.02 0.04 0.98 0.00 0.18 0.47 121.76 125.56 2a5m s ALA 47 Ca -0.10 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.13 2a5m s ALA 47 Cb -0.05 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2a5m s ALA 47 CO 0.03 0.29 -0.26 0.14 0.00 0.00 0.00 175.76 175.95 2a5m s VAL 48 N 0.13 2.17 0.05 0.00 -7.23 -0.36 -1.02 120.40 114.14 2a5m s VAL 48 Ca -0.01 -1.34 0.09 0.00 -1.81 0.00 0.00 61.98 58.91 2a5m s VAL 48 Cb -0.14 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2a5m s VAL 48 CO 0.03 0.39 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.65 2a5m s TYR 49 N -0.79 2.23 0.29 2.82 1.51 -0.72 -1.71 117.35 120.98 2a5m s TYR 49 Ca 0.12 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2a5m s TYR 49 Cb -0.10 -1.33 0.44 0.00 -0.11 0.00 0.00 41.96 40.86 2a5m s TYR 49 CO 0.02 0.14 1.75 1.49 -1.11 0.00 0.00 175.55 177.83 2a5m h GLU 50 N 4.74 0.51 -5.92 -0.62 4.57 -1.35 -2.12 114.58 114.38 2a5m h GLU 50 Ca -0.46 -0.17 -0.52 0.00 -1.18 0.00 0.00 59.36 57.02 2a5m h GLU 50 Cb 1.15 -0.04 -0.16 0.00 -0.16 0.00 0.00 28.75 29.54 2a5m h GLU 50 CO 0.43 0.68 -0.77 1.03 -1.18 0.00 0.00 179.01 179.21 2a5m s ARG 51 N -4.61 1.38 1.05 1.92 0.52 -0.75 -3.11 118.95 115.36 2a5m s ARG 51 Ca -0.07 -1.54 -0.15 0.00 -0.52 0.00 0.00 55.73 53.45 2a5m s ARG 51 Cb 0.14 -1.38 0.10 0.00 0.52 0.00 0.00 34.95 34.33 2a5m s ARG 51 CO 0.79 0.26 0.30 -0.35 0.02 0.00 0.00 175.30 176.32 2a5m n PRO 52 N -0.08 -1.14 -3.09 3.54 -0.04 -1.26 -2.83 135.00 130.09 2a5m n PRO 52 Ca -0.10 -0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 62.87 2a5m n PRO 52 Cb 0.59 -1.83 0.04 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.96 -5.34 -4.06 3.54 4.05 -1.26 -3.11 115.26 107.13 2a5m n ASN 53 Ca 0.04 -0.32 -0.29 0.00 0.45 0.00 0.00 54.58 54.46 2a5m n ASN 53 Cb 0.58 -4.07 -0.04 0.00 1.23 0.00 0.00 39.78 37.47 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2a5m n PHE 54 N -4.37 -1.52 -4.40 1.20 3.72 -1.25 -4.96 117.46 105.88 2a5m n PHE 54 Ca -0.05 0.64 -0.20 0.00 -0.05 0.00 0.00 57.45 57.79 2a5m n PHE 54 Cb 0.58 -3.36 -0.10 0.00 -0.94 0.00 0.00 39.48 35.65 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 -4.26 2.72 0.00 4.37 1.04 -1.13 -5.05 113.70 111.39 2a5m s SER 55 Ca 0.06 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2a5m s SER 55 Cb -0.03 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2a5m s SER 55 CO 0.93 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2a5m n GLY 56 N -0.53 -1.71 3.76 7.32 0.00 -1.26 -1.81 105.19 110.97 2a5m n GLY 56 Ca -0.06 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 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 2.95 -0.06 1.61 3.76 -1.26 -4.70 115.29 117.59 2a5m s HIS 57 Ca 0.00 1.23 0.05 0.00 -0.15 0.00 0.00 55.06 56.19 2a5m s HIS 57 Cb 0.00 -3.79 -0.01 0.00 1.11 0.00 0.00 32.58 29.88 2a5m s HIS 57 CO 0.00 -2.36 -0.22 0.00 -0.85 0.00 0.00 174.74 171.31 2a5m s MET 58 N -1.35 2.59 -0.01 1.40 0.00 -1.26 -1.64 119.30 119.04 2a5m s MET 58 Ca 0.53 -0.86 0.02 0.00 0.00 0.00 0.00 55.69 55.39 2a5m s MET 58 Cb -0.42 -2.23 -0.01 0.00 0.00 0.00 0.00 34.83 32.18 2a5m s MET 58 CO 0.51 0.41 -0.07 0.71 0.00 0.00 0.00 175.02 176.59 2a5m s TYR 59 N -0.23 0.60 -0.13 3.16 2.02 -0.70 -3.92 117.35 118.16 2a5m s TYR 59 Ca -0.01 -0.11 -0.14 0.00 -0.37 0.00 0.00 57.07 56.43 2a5m s TYR 59 Cb -0.13 -0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 2a5m s TYR 59 CO 0.03 -0.01 0.32 0.42 -1.57 0.00 0.00 175.55 174.74 2a5m s ILE 60 N -0.15 5.26 -0.26 2.71 1.09 -1.26 -1.22 121.20 127.37 2a5m s ILE 60 Ca 0.03 0.61 0.01 0.00 -1.10 0.00 0.00 60.65 60.20 2a5m s ILE 60 Cb -0.03 -3.65 0.05 0.00 -1.06 0.00 0.00 42.46 37.78 2a5m s ILE 60 CO -0.00 0.43 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.41 2a5m s LEU 61 N 0.12 3.33 0.81 2.97 1.43 0.17 -4.97 118.68 122.55 2a5m s LEU 61 Ca 0.19 -1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 2a5m s LEU 61 Cb -0.14 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.58 2a5m s LEU 61 CO 0.06 -0.17 1.14 -2.16 0.23 0.00 0.00 176.35 175.45 2a5m s PRO 62 N 1.17 1.94 0.34 1.29 0.04 -1.26 -1.41 135.00 137.11 2a5m s PRO 62 Ca -0.06 0.31 -0.27 0.00 0.04 0.00 0.00 61.00 61.02 2a5m s PRO 62 Cb -0.19 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 2a5m s PRO 62 CO -0.05 -1.65 1.15 0.94 0.04 0.00 0.00 177.00 177.43 2a5m n GLN 63 N -3.39 1.73 -3.01 4.56 0.00 -1.19 -4.83 117.38 111.24 2a5m n GLN 63 Ca 0.07 0.61 0.00 0.00 -0.00 0.00 0.00 57.00 57.68 2a5m n GLN 63 Cb 0.59 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 28.71 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 0.99 -1.61 3.26 1.69 0.00 -0.59 -4.98 105.19 103.95 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 3.15 -0.40 1.61 2.56 -1.26 0.14 118.70 122.68 2a5m s GLU 65 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 54.97 54.19 2a5m s GLU 65 Cb 0.00 -2.42 0.11 0.00 2.00 0.00 0.00 34.13 33.82 2a5m s GLU 65 CO 0.00 0.16 0.12 0.71 -0.56 0.00 0.00 175.26 175.69 2a5m s TYR 66 N 0.41 3.52 -1.61 5.30 1.51 -0.21 -4.97 117.35 121.29 2a5m s TYR 66 Ca -0.15 -3.02 0.13 0.00 -1.01 0.00 0.00 57.07 53.02 2a5m s TYR 66 Cb -0.17 -2.85 0.72 0.00 -0.11 0.00 0.00 41.96 39.55 2a5m s TYR 66 CO 0.07 -0.88 1.31 -0.35 -1.11 0.00 0.00 175.55 174.59 2a5m n PRO 67 N 3.90 0.27 -3.56 -1.71 -0.04 -1.26 -1.86 135.00 130.74 2a5m n PRO 67 Ca 0.04 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 2a5m n PRO 67 Cb 0.39 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.39 1.05 0.31 0.54 2.02 -1.26 -0.59 118.70 118.37 2a5m s GLU 68 Ca 0.15 -0.18 -0.01 0.00 0.02 0.00 0.00 54.97 54.95 2a5m s GLU 68 Cb 0.09 0.48 0.48 0.00 0.10 0.00 0.00 34.13 35.28 2a5m s GLU 68 CO 0.19 -0.38 1.96 0.10 0.02 0.00 0.00 175.26 177.15 2a5m h TYR 69 N 2.79 0.96 0.00 1.61 -0.00 0.77 -1.38 116.97 121.72 2a5m h TYR 69 Ca -0.30 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.43 2a5m h TYR 69 Cb 1.21 -0.32 -0.00 0.00 -0.00 0.00 0.00 36.73 37.62 2a5m h TYR 69 CO 0.36 0.63 -0.01 1.96 -0.00 0.00 0.00 178.16 181.10 2a5m h GLN 70 N 1.02 0.00 0.00 0.10 4.20 -1.84 0.18 115.11 118.76 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 -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2a5m h GLN 70 CO -0.05 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 -0.49 1.46 9.65 -1.63 -1.17 114.38 122.20 2a5m h ARG 71 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2a5m h ARG 71 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2a5m h ARG 71 CO 0.00 0.00 0.00 1.87 2.80 0.00 0.00 179.97 184.64 2a5m n TRP 72 N -2.85 0.73 -1.74 2.20 -0.00 0.57 -4.93 117.44 111.43 2a5m n TRP 72 Ca 0.01 -0.53 -0.21 0.00 -0.00 0.00 0.00 57.50 56.77 2a5m n TRP 72 Cb 0.29 -0.05 -0.07 0.00 -0.00 0.00 0.00 31.31 31.47 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 0.85 -1.50 -1.75 5.87 2.81 -0.44 -4.92 117.12 118.05 2a5m n MET 73 Ca 0.17 1.18 -0.39 0.00 -1.81 0.00 0.00 57.70 56.85 2a5m n MET 73 Cb 0.55 -5.61 0.03 0.00 -0.71 0.00 0.00 33.22 27.49 2a5m n MET 73 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a5m n GLY 74 N -0.49 0.84 0.08 3.03 0.00 -0.84 -4.89 105.19 102.92 2a5m n GLY 74 Ca -0.21 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 1.71 0.04 0.00 0.99 6.46 -1.91 -3.42 115.31 119.18 2a5m h LEU 75 Ca -0.51 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.19 2a5m h LEU 75 Cb 1.29 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2a5m h LEU 75 CO 0.58 0.95 0.04 -3.20 -0.62 0.00 0.00 178.44 176.19 2a5m n ASN 76 N -3.47 -0.49 -1.98 1.25 4.05 -1.26 -5.03 115.26 108.33 2a5m n ASN 76 Ca -0.01 -1.40 -0.14 0.00 0.45 0.00 0.00 54.58 53.48 2a5m n ASN 76 Cb 0.87 0.83 0.21 0.00 1.23 0.00 0.00 39.78 42.93 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2a5m n ASP 77 N -1.38 4.07 -4.64 1.20 5.68 -1.26 -4.91 116.55 115.31 2a5m n ASP 77 Ca -0.01 -3.25 -0.38 0.00 -0.50 0.00 0.00 54.79 50.64 2a5m n ASP 77 Cb 0.14 -0.76 -0.09 0.00 -1.14 0.00 0.00 41.12 39.27 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 -2.80 4.08 -0.09 0.11 3.52 -1.26 -2.23 118.95 120.28 2a5m s ARG 78 Ca 0.49 0.04 -0.04 0.00 -0.13 0.00 0.00 55.73 56.10 2a5m s ARG 78 Cb 0.41 -3.59 0.05 0.00 -1.56 0.00 0.00 34.95 30.26 2a5m s ARG 78 CO 0.11 -0.13 0.19 -0.51 -0.81 0.00 0.00 175.30 174.15 2a5m s LEU 79 N 1.60 -0.10 -0.01 -0.88 1.43 -1.24 -4.31 118.68 115.17 2a5m s LEU 79 Ca 0.15 0.40 0.14 0.00 -1.03 0.00 0.00 54.13 53.79 2a5m s LEU 79 Cb -0.15 0.39 -0.19 0.00 0.03 0.00 0.00 46.19 46.27 2a5m s LEU 79 CO 0.08 -0.24 0.40 0.61 0.23 0.00 0.00 176.35 177.43 2a5m n GLY 80 N 5.27 -0.50 3.38 -3.19 0.00 -0.80 -4.83 105.19 104.52 2a5m n GLY 80 Ca -0.06 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.13 -0.41 -0.01 1.61 0.01 -1.24 -3.56 113.70 106.97 2a5m s SER 81 Ca -0.02 0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.25 2a5m s SER 81 Cb 0.09 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2a5m s SER 81 CO 0.57 -0.76 0.13 0.00 0.41 0.00 0.00 173.24 173.58 2a5m s ARG 83 N -0.95 0.52 0.04 0.00 0.52 -0.18 -0.69 118.95 118.21 2a5m s ARG 83 Ca -0.10 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 2a5m s ARG 83 Cb -0.06 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.86 2a5m s ARG 83 CO 0.01 0.14 1.06 0.00 0.02 0.00 0.00 175.30 176.53 2a5m s ALA 84 N -0.17 3.25 -0.19 2.13 0.00 -1.26 -0.65 121.76 124.87 2a5m s ALA 84 Ca 0.02 0.66 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 2a5m s ALA 84 Cb -0.03 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2a5m s ALA 84 CO -0.00 -0.28 0.49 0.08 0.00 0.00 0.00 175.76 176.05 2a5m s VAL 85 N 0.90 5.13 -0.01 0.00 1.01 -0.73 -4.88 120.40 121.83 2a5m s VAL 85 Ca 0.54 0.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 2a5m s VAL 85 Cb -0.24 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2a5m s VAL 85 CO 0.29 0.21 0.53 -1.00 0.00 0.00 0.00 175.10 175.12 2a5m s HIS 86 N 1.44 3.68 -0.13 5.22 3.76 -1.26 -4.04 115.29 123.96 2a5m s HIS 86 Ca 0.24 1.10 -0.08 0.00 -0.15 0.00 0.00 55.06 56.17 2a5m s HIS 86 Cb -0.15 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 2a5m s HIS 86 CO 0.09 0.41 0.15 -0.51 -0.85 0.00 0.00 174.74 174.04 2a5m s LEU 87 N -0.36 4.36 -0.16 0.89 1.43 -1.26 -4.63 118.68 118.95 2a5m s LEU 87 Ca 0.28 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 2a5m s LEU 87 Cb -0.17 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2a5m s LEU 87 CO 0.15 0.37 -0.10 -0.55 0.23 0.00 0.00 176.35 176.45 2a5m s SER 88 N -0.78 4.12 0.00 2.29 0.15 -1.26 -5.06 113.70 113.16 2a5m s SER 88 Ca 0.14 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2a5m s SER 88 Cb -0.12 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2a5m s SER 88 CO 0.03 0.10 0.00 -1.20 1.20 0.00 0.00 173.24 173.37 2a5m n SER 89 N 4.01 0.14 0.00 5.45 7.64 -1.26 -4.85 113.62 124.74 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 3.99 0.00 0.23 0.00 -1.26 -5.03 105.19 108.12 2a5m n GLY 90 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2a5m n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5m n GLY 91 N 0.00 -1.72 3.08 -0.02 0.00 -1.26 -5.12 105.19 100.15 2a5m n GLY 91 Ca 0.00 0.80 -0.32 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 2.72 0.05 1.61 0.74 -1.26 -5.10 119.66 118.42 2a5m s GLN 92 Ca 0.00 -0.75 -0.30 0.00 0.05 0.00 0.00 55.36 54.35 2a5m s GLN 92 Cb 0.00 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.64 2a5m s GLN 92 CO 0.00 -0.23 1.06 0.00 -0.55 0.00 0.00 175.29 175.57 2a5m s ALA 93 N 1.35 3.26 -0.01 1.58 0.00 -1.26 -5.04 121.76 121.65 2a5m s ALA 93 Ca 0.05 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2a5m s ALA 93 Cb -0.13 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2a5m s ALA 93 CO -0.12 -0.27 -0.12 0.21 0.00 0.00 0.00 175.76 175.47 2a5m s LYS 94 N 0.78 0.93 0.02 0.00 2.20 -1.26 -4.64 119.74 117.77 2a5m s LYS 94 Ca 0.53 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.76 2a5m s LYS 94 Cb -0.25 -0.90 -0.02 0.00 -1.51 0.00 0.00 37.83 35.15 2a5m s LYS 94 CO 0.29 0.25 -0.15 -1.50 -0.36 0.00 0.00 175.35 173.88 2a5m s ILE 95 N -0.31 1.20 -0.06 5.43 2.07 -0.90 -3.77 121.20 124.86 2a5m s ILE 95 Ca 0.04 -0.90 0.05 0.00 -1.41 0.00 0.00 60.65 58.43 2a5m s ILE 95 Cb -0.05 -1.05 -0.00 0.00 0.13 0.00 0.00 42.46 41.49 2a5m s ILE 95 CO -0.00 0.14 -0.22 0.00 -1.91 0.00 0.00 174.94 172.95 2a5m s GLN 96 N -0.87 2.40 0.07 3.50 -2.07 -0.92 -1.75 119.66 120.01 2a5m s GLN 96 Ca 0.04 -0.79 0.08 0.00 -1.82 0.00 0.00 55.36 52.87 2a5m s GLN 96 Cb -0.07 -1.98 -0.03 0.00 -1.09 0.00 0.00 33.01 29.84 2a5m s GLN 96 CO 0.01 0.27 -0.22 0.14 -1.32 0.00 0.00 175.29 174.17 2a5m s VAL 97 N 0.06 1.77 -0.01 3.63 -7.23 -0.26 -0.90 120.40 117.47 2a5m s VAL 97 Ca -0.08 -1.39 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 2a5m s VAL 97 Cb -0.14 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2a5m s VAL 97 CO 0.04 0.11 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.35 2a5m s PHE 98 N -0.96 2.42 0.39 2.82 0.40 -0.79 -1.62 117.98 120.64 2a5m s PHE 98 Ca 0.08 -0.37 0.15 0.00 -0.60 0.00 0.00 56.93 56.19 2a5m s PHE 98 Cb -0.09 -1.51 0.86 0.00 0.51 0.00 0.00 43.02 42.79 2a5m s PHE 98 CO 0.03 0.05 1.89 1.49 0.70 0.00 0.00 175.22 179.38 2a5m h GLU 99 N 5.31 0.00 -5.77 0.44 4.81 -1.14 -3.35 114.58 114.88 2a5m h GLU 99 Ca -0.44 0.00 -0.60 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 0.47 0.29 -0.54 0.15 -0.73 0.00 0.00 179.01 178.65 2a5m s LYS 100 N -4.30 2.10 0.91 1.92 1.02 0.42 -4.45 119.74 117.35 2a5m s LYS 100 Ca -0.03 -1.98 -0.12 0.00 0.02 0.00 0.00 55.97 53.86 2a5m s LYS 100 Cb 0.15 -1.81 0.13 0.00 -0.52 0.00 0.00 37.83 35.78 2a5m s LYS 100 CO 0.70 -0.09 1.09 0.20 -0.92 0.00 0.00 175.35 176.33 2a5m s GLY 101 N -3.81 1.61 -1.46 -3.33 0.00 -1.26 -3.42 107.32 95.65 2a5m s GLY 101 Ca 0.37 -0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.92 2a5m s GLY 101 CO 0.20 0.42 0.91 1.22 0.00 0.00 0.00 173.10 175.85 2a5m n ASP 102 N -3.92 -5.53 -3.67 1.64 8.00 -0.01 -2.79 116.55 110.28 2a5m n ASP 102 Ca 0.07 -0.55 -0.24 0.00 0.71 0.00 0.00 54.79 54.78 2a5m n ASP 102 Cb 0.55 -4.41 0.03 0.00 -0.02 0.00 0.00 41.12 37.28 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 -4.68 -1.94 -4.38 1.24 3.72 -1.25 -5.00 117.46 105.17 2a5m n PHE 103 Ca -0.01 0.70 -0.19 0.00 -0.05 0.00 0.00 57.45 57.90 2a5m n PHE 103 Cb 0.56 -3.96 -0.10 0.00 -0.94 0.00 0.00 39.48 35.04 2a5m n PHE 103 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2a5m s ASN 104 N -3.95 2.15 0.00 4.37 3.04 -1.12 -5.02 114.94 114.41 2a5m s ASN 104 Ca 0.21 -1.25 0.00 0.00 0.04 0.00 0.00 52.86 51.87 2a5m s ASN 104 Cb -0.06 -0.05 0.00 0.00 -1.54 0.00 0.00 41.25 39.60 2a5m s ASN 104 CO 0.83 -0.49 0.00 0.61 -3.04 0.00 0.00 177.10 175.01 2a5m n GLY 105 N -0.51 -1.79 3.78 1.21 0.00 -1.26 -0.44 105.19 106.17 2a5m n GLY 105 Ca -0.04 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 2a5m n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 106 N 0.00 4.29 -0.00 1.61 0.74 -1.26 -4.69 119.66 120.34 2a5m s GLN 106 Ca 0.00 1.57 0.06 0.00 0.05 0.00 0.00 55.36 57.05 2a5m s GLN 106 Cb 0.00 -2.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.38 2a5m s GLN 106 CO 0.00 -0.05 -0.19 1.41 -0.55 0.00 0.00 175.29 175.91 2a5m s MET 107 N -2.23 2.21 -0.03 1.67 -2.45 -1.26 -1.11 119.30 116.09 2a5m s MET 107 Ca 0.54 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 54.13 2a5m s MET 107 Cb -0.24 -2.20 0.00 0.00 1.25 0.00 0.00 34.83 33.64 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 -0.78 1.08 -0.06 4.11 2.02 -0.64 -4.98 117.35 118.11 2a5m s TYR 108 Ca 0.12 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 2a5m s TYR 108 Cb -0.10 -0.76 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 2a5m s TYR 108 CO 0.02 -0.12 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.64 2a5m s GLU 109 N 0.21 2.52 0.01 -0.62 2.12 -1.26 -1.10 118.70 120.57 2a5m s GLU 109 Ca -0.04 -0.88 -0.14 0.00 0.36 0.00 0.00 54.97 54.26 2a5m s GLU 109 Cb -0.09 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.19 2a5m s GLU 109 CO 0.01 0.36 0.31 -0.08 -0.54 0.00 0.00 175.26 175.32 2a5m s THR 110 N -0.13 0.07 -0.97 -1.70 -1.32 -0.72 -5.01 115.64 105.86 2a5m s THR 110 Ca -0.04 -0.55 0.12 0.00 -1.21 0.00 0.00 61.69 60.01 2a5m s THR 110 Cb -0.14 -0.72 0.33 0.00 -1.51 0.00 0.00 72.50 70.46 2a5m s THR 110 CO 0.04 -0.30 1.28 0.35 -2.21 0.00 0.00 174.62 173.78 2a5m n THR 111 N 1.04 1.04 -4.49 5.08 -2.24 -1.26 -2.11 114.28 111.33 2a5m n THR 111 Ca -0.21 -1.02 -0.24 0.00 -2.27 0.00 0.00 64.05 60.31 2a5m n THR 111 Cb 0.57 0.48 -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 -1.05 1.71 0.72 -0.78 2.02 -1.26 -4.92 118.70 115.13 2a5m s GLU 112 Ca 0.25 -1.84 -0.14 0.00 0.02 0.00 0.00 54.97 53.26 2a5m s GLU 112 Cb 0.14 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.77 2a5m s GLU 112 CO 0.17 0.20 1.14 0.16 0.02 0.00 0.00 175.26 176.94 2a5m s ASP 113 N -3.54 4.57 -0.24 -0.19 -4.77 -1.26 -4.95 116.67 106.29 2a5m s ASP 113 Ca 0.31 2.10 0.01 0.00 -3.30 0.00 0.00 52.55 51.67 2a5m s ASP 113 Cb -0.00 -2.56 0.06 0.00 -1.09 0.00 0.00 42.92 39.33 2a5m s ASP 113 CO 0.15 -2.00 -0.07 0.00 0.70 0.00 0.00 175.17 173.95 2a5m h PRO 115 N 7.90 0.19 -3.00 0.00 0.13 -1.89 -2.30 132.00 133.04 2a5m h PRO 115 Ca -0.18 -0.23 -0.49 0.00 -0.87 0.00 0.00 66.00 64.23 2a5m h PRO 115 Cb 1.06 0.07 -0.41 0.00 0.13 0.00 0.00 31.00 31.86 2a5m h PRO 115 CO 0.43 0.98 -0.76 -1.12 -0.23 0.00 0.00 178.00 177.30 2a5m s SER 116 N -6.93 2.76 0.20 1.44 0.01 -1.26 -1.84 113.70 108.08 2a5m s SER 116 Ca -0.03 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.31 2a5m s SER 116 Cb 0.10 -0.30 0.13 0.00 0.21 0.00 0.00 66.02 66.16 2a5m s SER 116 CO 0.83 -0.38 1.73 0.40 0.41 0.00 0.00 173.24 176.24 2a5m h ILE 117 N 6.42 1.26 -0.47 1.44 2.04 -1.25 -1.92 117.51 125.04 2a5m h ILE 117 Ca -0.17 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 64.65 2a5m h ILE 117 Cb 1.10 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2a5m h ILE 117 CO 0.34 0.37 -0.10 -0.03 0.00 0.00 0.00 178.15 178.73 2a5m h MET 118 N 1.10 0.86 -0.32 2.37 4.05 -1.81 0.27 114.93 121.44 2a5m h MET 118 Ca 0.23 -0.29 -0.16 0.00 -0.28 0.00 0.00 59.70 59.20 2a5m h MET 118 Cb 0.35 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2a5m h MET 118 CO -0.00 0.92 -0.44 1.49 0.23 0.00 0.00 176.91 179.10 2a5m h GLU 119 N 0.77 0.83 0.05 0.39 4.22 -1.85 0.74 114.58 119.74 2a5m h GLU 119 Ca 0.13 -0.47 -0.06 0.00 0.08 0.00 0.00 59.36 59.04 2a5m h GLU 119 Cb 0.61 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.89 2a5m h GLU 119 CO 0.04 1.10 -0.29 0.37 -2.18 0.00 0.00 179.01 178.06 2a5m h GLN 120 N 0.67 0.10 -0.01 1.92 4.15 -1.14 -3.39 115.11 117.40 2a5m h GLN 120 Ca 0.04 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2a5m h GLN 120 Cb 1.03 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2a5m h GLN 120 CO 0.10 1.08 -0.06 1.19 -1.93 0.00 0.00 178.83 179.22 2a5m n PHE 121 N -4.45 0.00 -2.79 3.99 3.72 0.92 -4.99 117.46 113.86 2a5m n PHE 121 Ca -0.12 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.08 2a5m n PHE 121 Cb 0.60 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.35 -1.56 -4.88 1.38 8.25 0.25 -4.96 115.22 114.05 2a5m n HIS 122 Ca 0.05 0.35 -0.33 0.00 -0.26 0.00 0.00 57.72 57.54 2a5m n HIS 122 Cb 0.24 -4.09 -0.14 0.00 1.12 0.00 0.00 29.99 27.12 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 -5.98 2.68 0.16 2.41 1.43 -1.25 -4.96 118.68 113.18 2a5m s LEU 123 Ca 0.20 -0.26 0.21 0.00 -1.03 0.00 0.00 54.13 53.25 2a5m s LEU 123 Cb -0.09 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2a5m s LEU 123 CO 0.25 0.27 0.98 -2.11 0.23 0.00 0.00 176.35 175.97 2a5m n ARG 124 N 2.79 0.61 -3.90 1.70 1.85 -1.26 -3.38 116.66 115.07 2a5m n ARG 124 Ca -0.18 0.14 -0.09 0.00 -1.00 0.00 0.00 57.85 56.72 2a5m n ARG 124 Cb 0.52 -1.82 -0.07 0.00 -1.05 0.00 0.00 32.46 30.05 2a5m n ARG 124 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2a5m s GLU 125 N -3.26 1.13 -0.08 2.89 2.02 -1.26 -4.60 118.70 115.55 2a5m s GLU 125 Ca -0.01 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2a5m s GLU 125 Cb 0.09 0.39 0.02 0.00 0.10 0.00 0.00 34.13 34.73 2a5m s GLU 125 CO 0.80 -0.42 -0.10 0.42 0.02 0.00 0.00 175.26 175.98 2a5m s ILE 126 N -3.93 1.07 -0.35 -1.63 -1.09 -0.93 -4.94 121.20 109.40 2a5m s ILE 126 Ca 0.14 -0.40 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 2a5m s ILE 126 Cb 0.03 -1.02 -0.13 0.00 -1.58 0.00 0.00 42.46 39.76 2a5m s ILE 126 CO -0.03 0.35 0.39 1.41 -1.23 0.00 0.00 174.94 175.83 2a5m n HIS 127 N 4.21 0.00 -3.49 3.97 8.25 -1.26 -4.69 115.22 122.21 2a5m n HIS 127 Ca -0.20 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.12 2a5m n HIS 127 Cb 0.51 -0.08 -0.04 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 -2.42 -0.58 -0.21 0.41 0.15 -1.26 -2.50 113.70 107.30 2a5m s SER 128 Ca 0.01 0.38 -0.29 0.00 0.70 0.00 0.00 55.95 56.76 2a5m s SER 128 Cb 0.08 0.53 0.14 0.00 -1.71 0.00 0.00 66.02 65.05 2a5m s SER 128 CO 0.45 -0.71 1.08 0.00 1.20 0.00 0.00 173.24 175.25 2a5m s LYS 130 N -0.74 2.24 -0.13 0.00 1.02 -0.08 -1.77 119.74 120.28 2a5m s LYS 130 Ca 0.01 -1.35 -0.01 0.00 0.02 0.00 0.00 55.97 54.64 2a5m s LYS 130 Cb -0.02 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 2a5m s LYS 130 CO -0.02 -0.58 -0.09 0.14 -0.92 0.00 0.00 175.35 173.88 2a5m s VAL 131 N 1.10 3.46 -0.43 3.17 -7.23 -1.24 -2.17 120.40 117.06 2a5m s VAL 131 Ca -0.09 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 2a5m s VAL 131 Cb -0.20 -2.47 0.13 0.00 0.56 0.00 0.00 36.38 34.40 2a5m s VAL 131 CO -0.05 0.53 0.21 -0.69 -0.31 0.00 0.00 175.10 174.79 2a5m s VAL 132 N 0.13 1.70 0.25 1.32 1.01 -1.25 -3.42 120.40 120.15 2a5m s VAL 132 Ca -0.04 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.36 2a5m s VAL 132 Cb -0.14 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2a5m s VAL 132 CO 0.04 -0.82 0.00 1.21 0.00 0.00 0.00 175.10 175.53 2a5m n GLU 133 N 3.66 0.00 0.00 2.72 0.00 -1.26 -4.54 120.64 121.22 2a5m n GLU 133 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 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 0.30 4.14 2.83 8.31 0.00 -1.26 -4.61 105.19 114.89 2a5m n GLY 134 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 1.17 0.02 2.61 -4.23 -1.26 -3.86 115.64 110.10 2a5m s THR 135 Ca 0.00 -1.30 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 2a5m s THR 135 Cb 0.00 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 2a5m s THR 135 CO 0.00 -0.41 -0.14 0.26 -0.54 0.00 0.00 174.62 173.79 2a5m s TRP 136 N 1.51 1.26 -0.08 3.99 0.52 -0.86 -2.10 118.94 123.18 2a5m s TRP 136 Ca 0.03 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.87 2a5m s TRP 136 Cb -0.18 -0.77 -0.01 0.00 -1.15 0.00 0.00 33.47 31.36 2a5m s TRP 136 CO -0.14 0.02 -0.22 0.42 0.02 0.00 0.00 176.95 177.05 2a5m s ILE 137 N -0.69 2.31 -0.04 2.03 1.01 -0.38 -0.49 121.20 124.95 2a5m s ILE 137 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2a5m s ILE 137 Cb -0.07 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2a5m s ILE 137 CO 0.01 0.56 -0.08 -0.36 0.00 0.00 0.00 174.94 175.07 2a5m s PHE 138 N 0.03 2.89 0.02 3.97 0.40 0.05 -0.94 117.98 124.41 2a5m s PHE 138 Ca -0.08 -0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.30 2a5m s PHE 138 Cb -0.15 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 2a5m s PHE 138 CO 0.05 0.33 -0.22 0.71 0.70 0.00 0.00 175.22 176.80 2a5m s TYR 139 N -0.87 1.94 0.23 0.36 1.51 0.12 -0.42 117.35 120.22 2a5m s TYR 139 Ca 0.14 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 2a5m s TYR 139 Cb -0.11 -1.19 0.20 0.00 -0.11 0.00 0.00 41.96 40.75 2a5m s TYR 139 CO 0.04 0.05 1.52 1.49 -1.11 0.00 0.00 175.55 177.54 2a5m h GLU 140 N 5.11 0.03 -6.44 -0.62 4.81 -1.35 -1.42 114.58 114.71 2a5m h GLU 140 Ca -0.42 -0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.16 2a5m h GLU 140 Cb 1.15 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.39 2a5m h GLU 140 CO 0.45 0.73 -0.73 -0.51 -0.73 0.00 0.00 179.01 178.22 2a5m s LEU 141 N -7.42 2.88 1.11 1.64 1.43 -0.13 -3.37 118.68 114.81 2a5m s LEU 141 Ca -0.01 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.29 2a5m s LEU 141 Cb 0.12 -1.55 0.19 0.00 0.03 0.00 0.00 46.19 44.97 2a5m s LEU 141 CO 0.78 0.09 0.63 -0.81 0.23 0.00 0.00 176.35 177.27 2a5m n PRO 142 N -0.03 -1.74 -2.55 1.29 -0.04 -1.26 -2.45 135.00 128.20 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 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 -3.41 -5.83 -3.53 3.54 5.15 -0.77 -2.76 115.26 107.66 2a5m n ASN 143 Ca 0.04 -0.07 -0.19 0.00 -0.60 0.00 0.00 54.58 53.76 2a5m n ASN 143 Cb 0.56 -4.82 0.07 0.00 -0.53 0.00 0.00 39.78 35.06 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 -4.09 -2.09 -4.46 1.20 4.01 -1.23 -5.01 117.16 105.49 2a5m n TYR 144 Ca -0.21 0.89 -0.22 0.00 -0.16 0.00 0.00 57.90 58.19 2a5m n TYR 144 Cb 0.67 -4.74 -0.10 0.00 -0.31 0.00 0.00 39.34 34.85 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 -5.56 1.62 0.82 -0.72 1.81 -1.03 -5.02 118.95 110.88 2a5m s ARG 145 Ca 0.03 -1.83 0.00 0.00 -1.72 0.00 0.00 55.73 52.21 2a5m s ARG 145 Cb -0.01 -1.28 0.00 0.00 -0.45 0.00 0.00 34.95 33.21 2a5m s ARG 145 CO 0.76 0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.84 2a5m n GLY 146 N -0.64 -1.82 3.77 -3.53 0.00 -1.26 -0.96 105.19 100.75 2a5m n GLY 146 Ca -0.05 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 2a5m n GLY 146 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 147 N 0.00 4.22 0.08 1.61 3.52 -1.26 -4.72 118.95 122.40 2a5m s ARG 147 Ca 0.00 1.97 0.07 0.00 -0.13 0.00 0.00 55.73 57.64 2a5m s ARG 147 Cb 0.00 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2a5m s ARG 147 CO 0.00 -0.22 -0.11 -0.65 -0.81 0.00 0.00 175.30 173.51 2a5m s GLN 148 N -2.02 2.17 -0.05 5.12 -0.21 -1.25 -1.63 119.66 121.79 2a5m s GLN 148 Ca 0.53 -0.98 0.04 0.00 0.02 0.00 0.00 55.36 54.97 2a5m s GLN 148 Cb -0.34 -2.31 -0.00 0.00 1.00 0.00 0.00 33.01 31.35 2a5m s GLN 148 CO 0.44 0.53 -0.19 0.71 -2.12 0.00 0.00 175.29 174.65 2a5m s TYR 149 N -1.14 1.94 -0.26 0.91 2.02 0.44 -4.60 117.35 116.65 2a5m s TYR 149 Ca 0.20 -0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 56.14 2a5m s TYR 149 Cb -0.11 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2a5m s TYR 149 CO 0.12 -0.22 0.36 -1.17 -1.57 0.00 0.00 175.55 173.07 2a5m s LEU 150 N 0.09 4.05 0.05 -1.29 2.96 -1.26 -0.77 118.68 122.50 2a5m s LEU 150 Ca -0.07 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2a5m s LEU 150 Cb -0.13 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2a5m s LEU 150 CO 0.03 -0.16 0.21 -0.76 -1.32 0.00 0.00 176.35 174.35 2a5m s LEU 151 N 1.96 4.36 0.00 -0.68 1.02 0.36 -4.96 118.68 120.74 2a5m s LEU 151 Ca 0.15 0.29 0.04 0.00 0.02 0.00 0.00 54.13 54.62 2a5m s LEU 151 Cb -0.16 -2.91 0.04 0.00 0.02 0.00 0.00 46.19 43.18 2a5m s LEU 151 CO 0.10 0.18 0.32 0.47 0.02 0.00 0.00 176.35 177.44 2a5m n ASP 152 N 0.40 2.31 -1.38 2.29 9.92 -1.26 -2.02 116.55 126.80 2a5m n ASP 152 Ca -0.06 -2.42 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 2a5m n ASP 152 Cb 0.51 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 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 -1.48 0.64 -4.01 -1.24 2.85 -1.25 -4.59 118.16 109.08 2a5m n LYS 153 Ca -0.01 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.98 2a5m n LYS 153 Cb 0.47 -1.18 -0.03 0.00 -0.65 0.00 0.00 35.03 33.64 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 0.56 2.27 -0.19 -1.58 1.02 -1.22 -4.70 119.74 115.89 2a5m s LYS 154 Ca 0.00 -1.99 -0.06 0.00 0.02 0.00 0.00 55.97 53.94 2a5m s LYS 154 Cb 0.00 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2a5m s LYS 154 CO 0.00 -0.46 0.04 -1.21 -0.92 0.00 0.00 175.35 172.80 2a5m s GLU 155 N -4.15 3.80 -0.38 1.68 2.02 -1.26 -3.71 118.70 116.70 2a5m s GLU 155 Ca 0.33 -0.43 -0.15 0.00 0.02 0.00 0.00 54.97 54.73 2a5m s GLU 155 Cb -0.01 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 31.07 2a5m s GLU 155 CO 0.20 0.13 0.35 0.71 0.02 0.00 0.00 175.26 176.66 2a5m s TYR 156 N 0.73 3.21 -0.07 1.61 1.51 -0.73 -4.93 117.35 118.68 2a5m s TYR 156 Ca 0.02 -0.32 0.14 0.00 -1.01 0.00 0.00 57.07 55.90 2a5m s TYR 156 Cb -0.14 -2.68 -0.17 0.00 -0.11 0.00 0.00 41.96 38.86 2a5m s TYR 156 CO 0.02 -0.54 0.83 0.07 -1.11 0.00 0.00 175.55 174.82 2a5m h ARG 157 N 8.59 0.00 -6.34 -0.62 0.11 -1.85 -2.09 114.38 112.18 2a5m h ARG 157 Ca -0.28 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.20 2a5m h ARG 157 Cb 1.13 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.02 2a5m h ARG 157 CO 0.72 0.44 -0.81 0.15 0.10 0.00 0.00 179.97 180.57 2a5m s LYS 158 N -2.77 1.36 0.20 0.08 1.02 -1.25 -0.83 119.74 117.55 2a5m s LYS 158 Ca -0.03 -1.41 -0.10 0.00 0.02 0.00 0.00 55.97 54.46 2a5m s LYS 158 Cb 0.08 -1.60 0.14 0.00 -0.52 0.00 0.00 37.83 35.93 2a5m s LYS 158 CO 0.81 0.35 1.80 -1.00 -0.92 0.00 0.00 175.35 176.39 2a5m h PRO 159 N 3.43 1.06 0.00 -1.68 0.13 -1.80 -1.31 132.00 131.83 2a5m h PRO 159 Ca -0.45 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2a5m h PRO 159 Cb 1.20 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2a5m h PRO 159 CO 0.47 0.82 0.00 0.28 -0.23 0.00 0.00 178.00 179.34 2a5m h VAL 160 N 1.04 0.00 0.00 1.56 2.07 -1.91 -2.06 116.25 116.95 2a5m h VAL 160 Ca 0.26 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2a5m h VAL 160 Cb 0.10 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2a5m h VAL 160 CO -0.03 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.78 2a5m h ASP 161 N 0.00 0.00 -0.61 0.57 3.58 -1.54 -2.04 116.42 116.39 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2a5m h ASP 161 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 173.69 2a5m n TRP 162 N -2.80 1.54 -0.71 0.28 2.14 -0.78 -4.92 117.44 112.19 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 0.18 -0.29 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 0.93 0.64 3.88 -1.67 0.00 -0.76 -4.68 105.19 103.53 2a5m n GLY 163 Ca 0.26 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 3.88 -1.36 4.61 0.00 -1.26 -4.97 121.76 120.67 2a5m s ALA 164 Ca 0.00 -0.65 0.28 0.00 0.00 0.00 0.00 51.96 51.59 2a5m s ALA 164 Cb 0.00 -1.96 1.11 0.00 0.00 0.00 0.00 23.12 22.27 2a5m s ALA 164 CO 0.00 0.63 1.80 0.00 0.00 0.00 0.00 175.76 178.19 2a5m n ALA 165 N 1.88 2.79 -2.96 0.00 0.00 -1.26 -3.95 120.51 117.00 2a5m n ALA 165 Ca -0.19 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 2a5m n ALA 165 Cb 0.55 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 2a5m n ALA 165 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2a5m s SER 166 N -2.71 0.23 0.00 0.00 1.04 -1.26 -5.00 113.70 106.00 2a5m s SER 166 Ca 0.22 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2a5m s SER 166 Cb 0.19 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2a5m s SER 166 CO 0.53 -0.32 0.51 -0.81 0.98 0.00 0.00 173.24 174.13 2a5m n PRO 167 N 1.53 0.73 -2.76 4.02 -0.04 -1.26 -4.79 135.00 132.43 2a5m n PRO 167 Ca -0.24 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 2a5m n PRO 167 Cb 0.55 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.39 3.67 -0.16 0.55 0.00 -1.26 -2.19 121.76 120.98 2a5m s ALA 168 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 2a5m s ALA 168 Cb 0.00 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.75 2a5m s ALA 168 CO 0.00 -1.01 0.34 0.42 0.00 0.00 0.00 175.76 175.51 2a5m s ILE 169 N 3.05 -0.35 -0.28 0.00 1.01 -1.26 -4.70 121.20 118.67 2a5m s ILE 169 Ca 0.40 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.32 2a5m s ILE 169 Cb -0.15 -0.54 -0.11 0.00 0.01 0.00 0.00 42.46 41.68 2a5m s ILE 169 CO 0.07 0.08 0.31 0.00 0.00 0.00 0.00 174.94 175.40 2a5m n GLN 170 N 4.96 2.93 -3.52 2.79 1.13 -0.56 -4.50 117.38 120.61 2a5m n GLN 170 Ca -0.13 -0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 54.79 2a5m n GLN 170 Cb 0.51 -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 -2.19 -0.41 0.03 1.08 1.04 -1.02 -0.83 113.70 111.40 2a5m s SER 171 Ca 0.01 -0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 2a5m s SER 171 Cb 0.06 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2a5m s SER 171 CO 0.36 -0.92 0.38 0.72 0.98 0.00 0.00 173.24 174.76 2a5m s PHE 172 N -3.78 -0.23 0.00 5.02 -0.12 -0.86 0.13 117.98 118.14 2a5m s PHE 172 Ca 0.02 0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 57.04 2a5m s PHE 172 Cb 0.00 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.57 2a5m s PHE 172 CO -0.12 -0.53 0.12 1.03 -0.05 0.00 0.00 175.22 175.67 2a5m s ARG 173 N -2.28 0.44 0.14 1.99 0.52 -0.11 -1.81 118.95 117.85 2a5m s ARG 173 Ca -0.07 -0.38 -0.21 0.00 -0.52 0.00 0.00 55.73 54.56 2a5m s ARG 173 Cb -0.01 0.18 -0.07 0.00 0.52 0.00 0.00 34.95 35.57 2a5m s ARG 173 CO -0.01 -0.10 0.66 -0.98 0.02 0.00 0.00 175.30 174.89 2a5m s ARG 174 N -1.29 4.30 -0.15 3.54 1.70 -1.26 -1.25 118.95 124.54 2a5m s ARG 174 Ca -0.14 0.87 -0.16 0.00 -0.47 0.00 0.00 55.73 55.83 2a5m s ARG 174 Cb -0.07 -3.14 -0.04 0.00 -0.57 0.00 0.00 34.95 31.13 2a5m s ARG 174 CO 0.01 0.55 0.40 0.42 -1.08 0.00 0.00 175.30 175.60 2a5m s ILE 175 N -1.25 5.23 0.03 4.99 1.01 -0.89 -4.93 121.20 125.39 2a5m s ILE 175 Ca 0.35 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.77 2a5m s ILE 175 Cb -0.20 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2a5m s ILE 175 CO 0.22 0.33 -0.05 0.68 0.00 0.00 0.00 174.94 176.11 2a5m s VAL 176 N 0.72 0.34 0.00 2.92 -7.23 -1.26 -4.86 120.40 111.03 2a5m s VAL 176 Ca 0.21 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2a5m s VAL 176 Cb -0.14 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.37 2a5m s VAL 176 CO 0.07 -0.39 0.00 1.21 -0.31 0.00 0.00 175.10 175.68