#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5m n LYS 2 N 0.00 0.57 0.00 4.33 5.02 -1.26 -4.86 118.16 121.96 2a5m n LYS 2 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2a5m n LYS 2 Cb 0.00 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 2a5m n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2a5m n THR 3 N 7.67 0.00 0.00 -0.18 -1.04 -1.26 -5.13 114.28 114.34 2a5m n THR 3 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 2a5m n THR 3 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 -1.40 3.81 3.41 0.00 -1.26 -5.16 105.19 109.59 2a5m n GLY 4 Ca 0.00 0.90 -0.34 0.00 0.00 0.00 0.00 46.02 46.58 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 2.48 -0.16 -0.02 0.00 -1.26 -4.73 107.32 103.63 2a5m s GLY 5 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 44.72 45.05 2a5m s GLY 5 CO 0.00 0.78 0.43 1.25 0.00 0.00 0.00 173.10 175.55 2a5m s LYS 6 N -3.01 0.47 0.00 2.90 2.20 -0.69 -4.51 119.74 117.11 2a5m s LYS 6 Ca 0.61 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.91 2a5m s LYS 6 Cb -0.12 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 2a5m s LYS 6 CO 0.16 -0.09 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.43 2a5m s ILE 7 N 0.54 1.03 -0.11 5.43 2.07 -0.82 -0.91 121.20 128.45 2a5m s ILE 7 Ca -0.03 -0.68 0.03 0.00 -1.41 0.00 0.00 60.65 58.57 2a5m s ILE 7 Cb -0.04 -0.89 0.00 0.00 0.13 0.00 0.00 42.46 41.66 2a5m s ILE 7 CO -0.03 0.20 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.53 2a5m s SER 8 N -0.55 2.99 -0.10 4.50 0.01 0.96 -1.48 113.70 120.03 2a5m s SER 8 Ca 0.04 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 2a5m s SER 8 Cb -0.06 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 2a5m s SER 8 CO 0.00 0.13 -0.02 -0.36 0.41 0.00 0.00 173.24 173.40 2a5m s PHE 9 N 0.48 3.10 -0.03 2.43 0.40 -0.02 -0.43 117.98 123.91 2a5m s PHE 9 Ca -0.16 0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.32 2a5m s PHE 9 Cb -0.17 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2a5m s PHE 9 CO 0.06 0.35 -0.23 0.71 0.70 0.00 0.00 175.22 176.81 2a5m s TYR 10 N -0.62 2.12 0.34 0.36 1.51 -0.56 -1.05 117.35 119.44 2a5m s TYR 10 Ca 0.10 -0.49 0.17 0.00 -1.01 0.00 0.00 57.07 55.84 2a5m s TYR 10 Cb -0.12 -1.38 0.83 0.00 -0.11 0.00 0.00 41.96 41.19 2a5m s TYR 10 CO 0.02 -0.10 1.85 0.93 -1.11 0.00 0.00 175.55 177.14 2a5m h GLU 11 N 5.77 0.00 -5.84 -0.62 5.08 -1.37 -0.67 114.58 116.93 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 1.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2a5m h GLU 11 CO 0.47 0.33 -0.51 0.34 -1.00 0.00 0.00 179.01 178.65 2a5m s ASP 12 N -6.69 4.33 0.73 1.42 2.15 -0.57 -3.58 116.67 114.44 2a5m s ASP 12 Ca -0.02 -1.15 -0.11 0.00 0.43 0.00 0.00 52.55 51.70 2a5m s ASP 12 Cb 0.13 -0.41 0.03 0.00 -0.30 0.00 0.00 42.92 42.37 2a5m s ASP 12 CO 0.69 -0.55 1.07 -0.13 -0.17 0.00 0.00 175.17 176.08 2a5m s ARG 13 N -3.88 2.69 -1.43 4.34 0.52 -1.26 -3.63 118.95 116.30 2a5m s ARG 13 Ca 0.39 0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 56.38 2a5m s ARG 13 Cb 0.05 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.55 2a5m s ARG 13 CO 0.21 -1.24 0.37 -1.71 0.02 0.00 0.00 175.30 172.96 2a5m n ASN 14 N -3.20 -5.51 -3.82 0.23 2.85 -0.32 -2.48 115.26 103.01 2a5m n ASN 14 Ca 0.07 -0.18 -0.28 0.00 -0.11 0.00 0.00 54.58 54.08 2a5m n ASN 14 Cb 0.55 -4.41 0.04 0.00 1.24 0.00 0.00 39.78 37.20 2a5m n ASN 14 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2a5m n PHE 15 N -4.26 -2.48 -4.02 1.20 3.72 -1.25 -4.99 117.46 105.39 2a5m n PHE 15 Ca -0.14 0.94 -0.23 0.00 -0.05 0.00 0.00 57.45 57.98 2a5m n PHE 15 Cb 0.62 -4.31 -0.06 0.00 -0.94 0.00 0.00 39.48 34.80 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2a5m s GLN 16 N -6.52 2.47 0.72 -1.08 -0.21 -1.04 -5.01 119.66 108.99 2a5m s GLN 16 Ca 0.63 -1.48 0.00 0.00 0.02 0.00 0.00 55.36 54.52 2a5m s GLN 16 Cb -0.30 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.45 2a5m s GLN 16 CO 0.80 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 174.48 2a5m n GLY 17 N -1.22 -1.87 3.77 3.09 0.00 -1.26 -1.52 105.19 106.18 2a5m n GLY 17 Ca -0.03 -1.67 -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 4.06 0.12 1.61 3.52 -1.26 -4.74 118.95 122.27 2a5m s ARG 18 Ca 0.00 1.94 0.11 0.00 -0.13 0.00 0.00 55.73 57.65 2a5m s ARG 18 Cb 0.00 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 2a5m s ARG 18 CO 0.00 -0.34 -0.27 0.50 -0.81 0.00 0.00 175.30 174.38 2a5m s ARG 19 N -2.22 1.40 -0.06 5.12 3.52 -1.26 -1.46 118.95 123.98 2a5m s ARG 19 Ca 0.56 -1.33 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2a5m s ARG 19 Cb -0.33 -1.87 0.02 0.00 -1.56 0.00 0.00 34.95 31.21 2a5m s ARG 19 CO 0.42 0.44 -0.05 -0.47 -0.81 0.00 0.00 175.30 174.83 2a5m s TYR 20 N -1.05 0.95 -0.08 5.12 5.04 -0.22 -4.96 117.35 122.15 2a5m s TYR 20 Ca 0.13 -0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 2a5m s TYR 20 Cb -0.10 -0.83 -0.03 0.00 0.35 0.00 0.00 41.96 41.35 2a5m s TYR 20 CO 0.06 -0.27 -0.09 0.16 -1.34 0.00 0.00 175.55 174.06 2a5m s ASP 21 N 1.15 4.41 -0.02 4.32 1.47 -1.26 -0.84 116.67 125.90 2a5m s ASP 21 Ca -0.07 -0.12 0.03 0.00 1.18 0.00 0.00 52.55 53.57 2a5m s ASP 21 Cb -0.14 -1.20 -0.00 0.00 -0.34 0.00 0.00 42.92 41.23 2a5m s ASP 21 CO -0.01 0.31 -0.11 0.00 0.68 0.00 0.00 175.17 176.04 2a5m n ASP 23 N 3.00 2.33 -3.43 0.00 -0.08 -1.26 -1.94 116.55 115.17 2a5m n ASP 23 Ca -0.16 -2.05 -0.09 0.00 -1.51 0.00 0.00 54.79 50.99 2a5m n ASP 23 Cb 0.55 -0.09 -0.01 0.00 2.34 0.00 0.00 41.12 43.91 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a5m s ASP 25 N -3.02 5.81 -0.13 0.00 2.15 -1.26 -4.75 116.67 115.47 2a5m s ASP 25 Ca 0.16 2.88 -0.01 0.00 0.43 0.00 0.00 52.55 56.01 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 -1.21 -0.04 0.00 -0.17 0.00 0.00 175.17 173.85 2a5m h ALA 27 N 8.20 0.73 -1.64 0.00 0.00 -1.90 -1.59 119.26 123.05 2a5m h ALA 27 Ca -0.24 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 2a5m h ALA 27 Cb 1.12 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.55 2a5m h ALA 27 CO 0.36 0.68 -0.51 0.34 0.00 0.00 0.00 179.25 180.13 2a5m s ASP 28 N -6.50 0.15 0.00 0.00 2.15 -1.26 -3.92 116.67 107.29 2a5m s ASP 28 Ca 0.02 -0.25 0.18 0.00 0.43 0.00 0.00 52.55 52.92 2a5m s ASP 28 Cb 0.09 1.21 0.46 0.00 -0.30 0.00 0.00 42.92 44.38 2a5m s ASP 28 CO 0.74 -0.34 1.37 2.22 -0.17 0.00 0.00 175.17 178.99 2a5m n PHE 29 N 5.36 0.66 0.29 -5.34 -1.74 -1.23 -4.51 117.46 110.95 2a5m n PHE 29 Ca 0.01 -0.44 0.18 0.00 -0.56 0.00 0.00 57.45 56.64 2a5m n PHE 29 Cb 0.50 -0.01 0.97 0.00 1.52 0.00 0.00 39.48 42.46 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 3.34 0.00 0.00 3.97 3.08 -1.79 0.12 114.38 123.10 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 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 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 -1.98 -3.14 113.55 120.10 2a5m h SER 31 Ca 0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2a5m h SER 31 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2a5m h SER 31 CO -0.00 0.00 -1.89 -1.22 -0.87 0.00 0.00 176.83 172.85 2a5m n TYR 32 N -2.62 0.00 -3.70 4.77 4.01 -0.03 -4.95 117.16 114.64 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 0.36 -0.51 -0.12 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 -4.47 -0.03 0.00 7.72 2.96 -0.84 -4.81 118.68 119.21 2a5m s LEU 33 Ca -0.07 0.77 0.26 0.00 -0.22 0.00 0.00 54.13 54.87 2a5m s LEU 33 Cb 0.10 1.11 0.77 0.00 0.50 0.00 0.00 46.19 48.67 2a5m s LEU 33 CO 0.73 -0.19 1.60 -1.20 -1.32 0.00 0.00 176.35 175.96 2a5m n SER 34 N 4.48 0.33 -3.57 3.68 7.64 -1.26 -4.18 113.62 120.74 2a5m n SER 34 Ca -0.21 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.62 2a5m n SER 34 Cb 0.53 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 2a5m n SER 34 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2a5m s ARG 35 N -2.99 0.61 -0.13 1.43 3.52 -1.26 -4.97 118.95 115.16 2a5m s ARG 35 Ca 0.12 -0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.44 2a5m s ARG 35 Cb 0.18 0.27 0.06 0.00 -1.56 0.00 0.00 34.95 33.90 2a5m s ARG 35 CO 0.64 -0.27 0.16 0.00 -0.81 0.00 0.00 175.30 175.02 2a5m n ASN 37 N 5.32 2.33 -3.58 0.00 5.15 -0.26 -4.49 115.26 119.72 2a5m n ASN 37 Ca -0.05 -1.65 -0.15 0.00 -0.60 0.00 0.00 54.58 52.13 2a5m n ASN 37 Cb 0.50 -0.04 -0.06 0.00 -0.53 0.00 0.00 39.78 39.65 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2a5m s SER 38 N -1.16 -0.46 -0.01 1.20 0.15 -1.19 -0.14 113.70 112.09 2a5m s SER 38 Ca 0.18 0.26 -0.08 0.00 0.70 0.00 0.00 55.95 57.02 2a5m s SER 38 Cb 0.12 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2a5m s SER 38 CO 0.18 -0.68 0.17 -0.63 1.20 0.00 0.00 173.24 173.48 2a5m s ILE 39 N -2.13 0.06 -0.11 6.45 1.01 -0.81 -1.50 121.20 124.17 2a5m s ILE 39 Ca -0.07 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.07 2a5m s ILE 39 Cb -0.01 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.05 2a5m s ILE 39 CO 0.01 -0.29 -0.16 -0.60 0.00 0.00 0.00 174.94 173.90 2a5m s ARG 40 N -1.09 2.32 -0.32 2.79 3.52 0.43 -1.04 118.95 125.56 2a5m s ARG 40 Ca -0.12 -0.60 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 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 -0.06 0.15 0.08 -0.81 0.00 0.00 175.30 174.67 2a5m s VAL 41 N 0.97 4.42 0.03 7.11 1.01 0.86 -0.03 120.40 134.76 2a5m s VAL 41 Ca -0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 2a5m s VAL 41 Cb -0.15 -3.32 -0.26 0.00 0.00 0.00 0.00 36.38 32.65 2a5m s VAL 41 CO -0.02 -0.01 0.94 -0.08 0.00 0.00 0.00 175.10 175.93 2a5m h GLU 42 N 8.34 0.19 -1.90 2.72 4.22 -1.26 -1.99 114.58 124.91 2a5m h GLU 42 Ca -0.30 -0.33 -0.03 0.00 0.08 0.00 0.00 59.36 58.78 2a5m h GLU 42 Cb 1.13 0.12 -0.20 0.00 0.50 0.00 0.00 28.75 30.30 2a5m h GLU 42 CO 0.62 1.05 0.27 0.20 -2.18 0.00 0.00 179.01 178.98 2a5m s GLY 43 N -4.89 -0.50 0.00 1.92 0.00 -1.11 -4.84 107.32 97.89 2a5m s GLY 43 Ca -0.06 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2a5m s GLY 43 CO 0.85 1.06 0.00 0.61 0.00 0.00 0.00 173.10 175.62 2a5m n GLY 44 N 1.04 -1.17 3.28 0.20 0.00 -1.26 -1.70 105.19 105.58 2a5m n GLY 44 Ca -0.17 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 2a5m n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5m s THR 45 N -1.61 2.12 0.16 2.61 2.01 -1.26 -3.01 115.64 116.66 2a5m s THR 45 Ca 0.00 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.05 2a5m s THR 45 Cb 0.00 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2a5m s THR 45 CO 0.00 0.57 -0.21 0.26 -0.69 0.00 0.00 174.62 174.55 2a5m s TRP 46 N -0.22 1.97 -0.14 4.92 0.52 -0.57 0.14 118.94 125.55 2a5m s TRP 46 Ca -0.02 -0.42 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 2a5m s TRP 46 Cb -0.13 -1.01 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 2a5m s TRP 46 CO 0.03 0.35 -0.01 0.00 0.02 0.00 0.00 176.95 177.34 2a5m s ALA 47 N -1.69 3.14 0.01 0.98 0.00 0.73 0.41 121.76 125.33 2a5m s ALA 47 Ca 0.15 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2a5m s ALA 47 Cb -0.07 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2a5m s ALA 47 CO 0.07 0.30 -0.23 0.14 0.00 0.00 0.00 175.76 176.05 2a5m s VAL 48 N 0.05 2.39 0.07 0.00 -7.23 -0.17 -0.81 120.40 114.70 2a5m s VAL 48 Ca 0.02 -1.14 0.09 0.00 -1.81 0.00 0.00 61.98 59.13 2a5m s VAL 48 Cb -0.13 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 2a5m s VAL 48 CO 0.02 0.47 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.73 2a5m s TYR 49 N -0.75 2.15 0.28 2.82 1.51 -0.64 -1.49 117.35 121.22 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 -1.25 0.39 0.00 -0.11 0.00 0.00 41.96 40.89 2a5m s TYR 49 CO 0.01 0.16 1.72 1.49 -1.11 0.00 0.00 175.55 177.82 2a5m h GLU 50 N 4.58 0.51 -6.19 -0.62 4.81 -1.38 -1.97 114.58 114.32 2a5m h GLU 50 Ca -0.46 -0.19 -0.57 0.00 -0.13 0.00 0.00 59.36 58.01 2a5m h GLU 50 Cb 1.15 -0.03 -0.19 0.00 0.63 0.00 0.00 28.75 30.31 2a5m h GLU 50 CO 0.42 0.72 -0.81 1.03 -0.73 0.00 0.00 179.01 179.64 2a5m s ARG 51 N -4.51 1.30 1.08 1.92 1.81 -0.83 -3.08 118.95 116.64 2a5m s ARG 51 Ca -0.07 -1.38 -0.18 0.00 -1.72 0.00 0.00 55.73 52.39 2a5m s ARG 51 Cb 0.14 -1.49 0.08 0.00 -0.45 0.00 0.00 34.95 33.22 2a5m s ARG 51 CO 0.79 0.32 0.01 -2.30 -0.68 0.00 0.00 175.30 173.45 2a5m n PRO 52 N 0.50 -1.27 -3.08 3.54 -0.01 -1.26 -2.73 135.00 130.69 2a5m n PRO 52 Ca -0.15 -0.35 -0.19 0.00 -0.01 0.00 0.00 63.50 62.81 2a5m n PRO 52 Cb 0.56 -1.69 0.04 0.00 -0.01 0.00 0.00 33.50 32.40 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 -1.35 -5.41 -4.07 2.55 5.15 -1.25 -3.03 115.26 107.85 2a5m n ASN 53 Ca 0.02 -0.31 -0.28 0.00 -0.60 0.00 0.00 54.58 53.40 2a5m n ASN 53 Cb 0.61 -4.16 -0.04 0.00 -0.53 0.00 0.00 39.78 35.66 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 -4.39 -1.51 -4.42 1.20 3.72 -1.25 -4.95 117.46 105.86 2a5m n PHE 54 Ca -0.05 0.66 -0.21 0.00 -0.05 0.00 0.00 57.45 57.80 2a5m n PHE 54 Cb 0.58 -3.37 -0.10 0.00 -0.94 0.00 0.00 39.48 35.64 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 -4.31 2.83 0.00 4.37 0.15 -1.10 -5.05 113.70 110.58 2a5m s SER 55 Ca 0.04 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.54 2a5m s SER 55 Cb -0.02 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2a5m s SER 55 CO 0.93 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.70 2a5m n GLY 56 N -0.56 -1.71 3.76 9.45 0.00 -1.26 -1.96 105.19 112.90 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 3.12 -0.04 1.61 3.76 -1.26 -4.72 115.29 117.76 2a5m s HIS 57 Ca 0.00 1.32 0.06 0.00 -0.15 0.00 0.00 55.06 56.29 2a5m s HIS 57 Cb 0.00 -3.67 -0.02 0.00 1.11 0.00 0.00 32.58 30.00 2a5m s HIS 57 CO 0.00 -1.94 -0.24 0.00 -0.85 0.00 0.00 174.74 171.71 2a5m s MET 58 N -1.16 2.37 -0.01 1.40 0.00 -1.26 -1.67 119.30 118.97 2a5m s MET 58 Ca 0.52 -0.89 0.03 0.00 0.00 0.00 0.00 55.69 55.35 2a5m s MET 58 Cb -0.39 -2.15 -0.01 0.00 0.00 0.00 0.00 34.83 32.29 2a5m s MET 58 CO 0.47 0.49 -0.09 0.71 0.00 0.00 0.00 175.02 176.60 2a5m s TYR 59 N -0.42 0.83 -0.13 3.16 2.02 -0.56 -4.00 117.35 118.26 2a5m s TYR 59 Ca 0.04 -0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 56.44 2a5m s TYR 59 Cb -0.12 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 2a5m s TYR 59 CO 0.01 -0.01 0.32 0.42 -1.57 0.00 0.00 175.55 174.72 2a5m s ILE 60 N -0.22 5.26 -0.28 2.71 1.09 -1.26 -1.00 121.20 127.50 2a5m s ILE 60 Ca 0.03 0.62 0.03 0.00 -1.10 0.00 0.00 60.65 60.23 2a5m s ILE 60 Cb -0.04 -3.65 0.07 0.00 -1.06 0.00 0.00 42.46 37.78 2a5m s ILE 60 CO -0.00 0.43 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.43 2a5m s LEU 61 N 0.14 3.70 0.87 2.97 1.43 0.17 -4.97 118.68 122.99 2a5m s LEU 61 Ca 0.19 -1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 51.65 2a5m s LEU 61 Cb -0.14 -1.58 0.11 0.00 0.03 0.00 0.00 46.19 44.62 2a5m s LEU 61 CO 0.06 -0.23 1.13 -2.16 0.23 0.00 0.00 176.35 175.38 2a5m s PRO 62 N 1.08 1.49 0.32 1.29 0.04 -1.26 -1.52 135.00 136.44 2a5m s PRO 62 Ca -0.05 0.40 -0.28 0.00 0.04 0.00 0.00 61.00 61.10 2a5m s PRO 62 Cb -0.20 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.34 2a5m s PRO 62 CO -0.05 -1.98 1.18 0.94 0.04 0.00 0.00 177.00 177.13 2a5m n GLN 63 N -3.64 1.82 -3.00 4.56 7.27 -1.16 -4.82 117.38 118.40 2a5m n GLN 63 Ca 0.07 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.77 2a5m n GLN 63 Cb 0.58 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 31.10 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a5m n GLY 64 N 0.95 -1.58 3.26 1.69 0.00 -0.75 -4.98 105.19 103.77 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 3.12 -0.46 1.61 2.12 -1.26 -0.10 118.70 121.90 2a5m s GLU 65 Ca 0.00 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.53 2a5m s GLU 65 Cb 0.00 -2.37 0.12 0.00 0.26 0.00 0.00 34.13 32.14 2a5m s GLU 65 CO 0.00 0.19 0.20 0.71 -0.54 0.00 0.00 175.26 175.82 2a5m s TYR 66 N 0.34 3.24 -1.51 5.30 1.51 -0.20 -4.97 117.35 121.06 2a5m s TYR 66 Ca -0.17 -3.07 0.09 0.00 -1.01 0.00 0.00 57.07 52.91 2a5m s TYR 66 Cb -0.17 -2.78 0.45 0.00 -0.11 0.00 0.00 41.96 39.35 2a5m s TYR 66 CO 0.08 -0.80 1.13 -2.30 -1.11 0.00 0.00 175.55 172.55 2a5m n PRO 67 N 3.46 0.15 -3.56 -1.71 -0.02 -1.26 -1.92 135.00 130.14 2a5m n PRO 67 Ca 0.05 0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 2a5m n PRO 67 Cb 0.35 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 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 -2.49 1.03 0.31 -0.52 2.02 -1.26 -1.18 118.70 116.61 2a5m s GLU 68 Ca 0.09 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.95 2a5m s GLU 68 Cb 0.06 0.47 0.48 0.00 0.10 0.00 0.00 34.13 35.24 2a5m s GLU 68 CO 0.13 -0.36 1.96 0.10 0.02 0.00 0.00 175.26 177.10 2a5m h TYR 69 N 2.86 0.96 0.00 1.61 -0.00 -0.82 -1.67 116.97 119.91 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 1.20 -0.32 -0.00 0.00 -0.00 0.00 0.00 36.73 37.61 2a5m h TYR 69 CO 0.37 0.63 -0.01 1.96 -0.00 0.00 0.00 178.16 181.12 2a5m h GLN 70 N 1.02 0.00 0.00 0.10 1.08 -1.86 0.97 115.11 116.41 2a5m h GLN 70 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2a5m h GLN 70 Cb -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 2a5m h GLN 70 CO -0.05 0.01 0.00 -0.09 -0.95 0.00 0.00 178.83 177.74 2a5m h ARG 71 N 0.00 0.00 -0.46 1.46 1.12 -1.68 -1.78 114.38 113.04 2a5m h ARG 71 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2a5m h ARG 71 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 2a5m h ARG 71 CO 0.00 0.00 0.00 1.87 -3.11 0.00 0.00 179.97 178.73 2a5m n TRP 72 N -2.88 0.61 -1.72 2.20 -0.00 0.28 -4.94 117.44 110.98 2a5m n TRP 72 Ca 0.01 -0.50 -0.20 0.00 -0.00 0.00 0.00 57.50 56.82 2a5m n TRP 72 Cb 0.31 -0.02 -0.07 0.00 -0.00 0.00 0.00 31.31 31.53 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 0.84 -1.40 -1.74 5.87 2.81 -0.67 -4.92 117.12 117.91 2a5m n MET 73 Ca 0.15 1.15 -0.39 0.00 -1.81 0.00 0.00 57.70 56.79 2a5m n MET 73 Cb 0.48 -5.53 0.03 0.00 -0.71 0.00 0.00 33.22 27.50 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 -0.65 0.81 0.08 3.03 0.00 -0.85 -4.89 105.19 102.71 2a5m n GLY 74 Ca -0.20 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 1.83 0.06 0.00 0.99 5.85 -1.91 -3.43 115.31 118.70 2a5m h LEU 75 Ca -0.50 -0.06 -0.03 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 1.00 0.06 -3.20 -0.34 0.00 0.00 178.44 176.55 2a5m n ASN 76 N -3.43 -0.70 -2.03 1.25 5.15 -1.26 -5.03 115.26 109.21 2a5m n ASN 76 Ca -0.01 -1.55 -0.14 0.00 -0.60 0.00 0.00 54.58 52.28 2a5m n ASN 76 Cb 0.91 1.18 0.22 0.00 -0.53 0.00 0.00 39.78 41.56 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2a5m n ASP 77 N -1.34 4.11 -4.63 1.20 5.68 -1.26 -4.92 116.55 115.40 2a5m n ASP 77 Ca -0.02 -3.30 -0.38 0.00 -0.50 0.00 0.00 54.79 50.58 2a5m n ASP 77 Cb 0.20 -0.77 -0.09 0.00 -1.14 0.00 0.00 41.12 39.31 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2a5m s ARG 78 N -2.90 4.07 -0.10 0.11 1.81 -1.26 -2.32 118.95 118.35 2a5m s ARG 78 Ca 0.51 0.03 -0.04 0.00 -1.72 0.00 0.00 55.73 54.52 2a5m s ARG 78 Cb 0.42 -3.60 0.05 0.00 -0.45 0.00 0.00 34.95 31.37 2a5m s ARG 78 CO 0.11 -0.16 0.19 -0.51 -0.68 0.00 0.00 175.30 174.26 2a5m s LEU 79 N 1.70 -0.15 -0.01 2.53 1.43 -1.25 -4.32 118.68 118.60 2a5m s LEU 79 Ca 0.15 0.38 0.14 0.00 -1.03 0.00 0.00 54.13 53.77 2a5m s LEU 79 Cb -0.15 0.41 -0.19 0.00 0.03 0.00 0.00 46.19 46.28 2a5m s LEU 79 CO 0.09 -0.25 0.42 0.61 0.23 0.00 0.00 176.35 177.45 2a5m n GLY 80 N 5.33 -0.51 3.39 -3.19 0.00 -0.74 -4.84 105.19 104.63 2a5m n GLY 80 Ca -0.05 -0.36 -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 -0.45 0.00 0.00 0.00 173.32 172.87 2a5m s SER 81 N -3.11 -0.43 -0.01 1.61 0.15 -1.24 -3.51 113.70 107.16 2a5m s SER 81 Ca -0.01 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.68 2a5m s SER 81 Cb 0.10 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2a5m s SER 81 CO 0.58 -0.76 0.13 0.00 1.20 0.00 0.00 173.24 174.39 2a5m s ARG 83 N -1.04 0.58 0.04 0.00 0.52 0.01 -0.93 118.95 118.13 2a5m s ARG 83 Ca -0.11 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 2a5m s ARG 83 Cb -0.06 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 2a5m s ARG 83 CO 0.01 0.15 1.05 0.00 0.02 0.00 0.00 175.30 176.53 2a5m s ALA 84 N -0.17 3.25 -0.21 2.13 0.00 -1.26 -0.19 121.76 125.31 2a5m s ALA 84 Ca 0.03 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 2a5m s ALA 84 Cb -0.03 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 2a5m s ALA 84 CO -0.00 -0.26 0.57 0.08 0.00 0.00 0.00 175.76 176.14 2a5m s VAL 85 N 0.82 5.06 -0.07 0.00 1.01 0.37 -4.87 120.40 122.72 2a5m s VAL 85 Ca 0.53 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 63.39 2a5m s VAL 85 Cb -0.24 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2a5m s VAL 85 CO 0.29 0.14 0.47 -1.00 0.00 0.00 0.00 175.10 174.99 2a5m s HIS 86 N 1.84 3.60 -0.07 5.22 3.76 -1.26 -3.99 115.29 124.38 2a5m s HIS 86 Ca 0.26 0.95 -0.10 0.00 -0.15 0.00 0.00 55.06 56.02 2a5m s HIS 86 Cb -0.16 -2.48 -0.05 0.00 1.11 0.00 0.00 32.58 31.01 2a5m s HIS 86 CO 0.10 0.33 0.26 -0.51 -0.85 0.00 0.00 174.74 174.06 2a5m s LEU 87 N 0.02 4.42 -0.18 0.89 1.43 -1.26 -4.62 118.68 119.38 2a5m s LEU 87 Ca 0.26 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 54.01 2a5m s LEU 87 Cb -0.16 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 2a5m s LEU 87 CO 0.12 0.36 -0.06 -0.55 0.23 0.00 0.00 176.35 176.45 2a5m s SER 88 N -1.00 4.39 0.00 2.29 0.15 -1.26 -5.07 113.70 113.20 2a5m s SER 88 Ca 0.19 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2a5m s SER 88 Cb -0.14 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2a5m s SER 88 CO 0.08 0.08 0.00 -0.24 1.20 0.00 0.00 173.24 174.36 2a5m n SER 89 N 4.09 0.16 0.00 5.45 2.88 -1.26 -4.92 113.62 120.02 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 3.97 0.00 0.46 0.00 -1.26 -5.02 105.19 108.34 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 -1.79 3.07 -0.02 0.00 -1.26 -5.12 105.19 100.07 2a5m n GLY 91 Ca 0.00 0.82 -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 -5.11 119.66 118.34 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 -2.29 -0.05 0.00 1.10 0.00 0.00 33.01 31.77 2a5m s GLN 92 CO 0.00 -0.19 1.09 0.00 -0.55 0.00 0.00 175.29 175.63 2a5m s ALA 93 N 1.31 3.30 -0.01 1.58 0.00 -1.26 -5.04 121.76 121.65 2a5m s ALA 93 Ca 0.03 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.75 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 -0.10 -0.27 -0.11 0.21 0.00 0.00 0.00 175.76 175.49 2a5m s LYS 94 N 0.56 0.94 0.03 0.00 2.20 -1.26 -4.56 119.74 117.65 2a5m s LYS 94 Ca 0.53 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 2a5m s LYS 94 Cb -0.26 -0.90 -0.02 0.00 -1.51 0.00 0.00 37.83 35.13 2a5m s LYS 94 CO 0.30 0.22 -0.18 -1.50 -0.36 0.00 0.00 175.35 173.84 2a5m s ILE 95 N -0.19 1.45 -0.08 5.43 2.07 -0.87 -4.12 121.20 124.89 2a5m s ILE 95 Ca 0.03 -1.02 0.04 0.00 -1.41 0.00 0.00 60.65 58.29 2a5m s ILE 95 Cb -0.05 -1.25 0.00 0.00 0.13 0.00 0.00 42.46 41.29 2a5m s ILE 95 CO -0.00 0.21 -0.19 0.00 -1.91 0.00 0.00 174.94 173.04 2a5m s GLN 96 N -0.95 2.38 0.09 3.50 0.00 -1.25 -1.85 119.66 121.58 2a5m s GLN 96 Ca 0.06 -0.69 0.08 0.00 -0.00 0.00 0.00 55.36 54.81 2a5m s GLN 96 Cb -0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 33.01 31.01 2a5m s GLN 96 CO 0.01 0.16 -0.22 0.14 0.00 0.00 0.00 175.29 175.38 2a5m s VAL 97 N 0.36 1.77 -0.01 3.63 -7.23 -0.45 -2.00 120.40 116.46 2a5m s VAL 97 Ca -0.14 -1.46 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2a5m s VAL 97 Cb -0.16 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 2a5m s VAL 97 CO 0.06 0.04 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.30 2a5m s PHE 98 N -1.04 2.41 0.39 2.82 0.40 -0.46 -1.72 117.98 120.78 2a5m s PHE 98 Ca 0.08 -0.37 0.14 0.00 -0.60 0.00 0.00 56.93 56.18 2a5m s PHE 98 Cb -0.10 -1.50 0.84 0.00 0.51 0.00 0.00 43.02 42.78 2a5m s PHE 98 CO 0.04 0.06 1.88 1.49 0.70 0.00 0.00 175.22 179.39 2a5m h GLU 99 N 5.23 0.00 -5.81 0.44 4.81 -1.17 -3.32 114.58 114.76 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 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 99 CO 0.47 0.31 -0.54 0.15 -0.73 0.00 0.00 179.01 178.67 2a5m s LYS 100 N -4.28 2.12 0.91 1.92 1.02 0.13 -4.33 119.74 117.24 2a5m s LYS 100 Ca -0.03 -1.95 -0.12 0.00 0.02 0.00 0.00 55.97 53.90 2a5m s LYS 100 Cb 0.14 -1.84 0.14 0.00 -0.52 0.00 0.00 37.83 35.75 2a5m s LYS 100 CO 0.71 -0.08 1.09 0.20 -0.92 0.00 0.00 175.35 176.35 2a5m s GLY 101 N -3.82 1.61 -1.46 -3.33 0.00 -1.26 -3.44 107.32 95.62 2a5m s GLY 101 Ca 0.38 -0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 2a5m s GLY 101 CO 0.21 0.39 1.00 1.22 0.00 0.00 0.00 173.10 175.92 2a5m n ASP 102 N -3.93 -5.54 -3.71 1.64 8.00 0.16 -2.75 116.55 110.42 2a5m n ASP 102 Ca 0.07 -0.61 -0.25 0.00 0.71 0.00 0.00 54.79 54.70 2a5m n ASP 102 Cb 0.56 -4.40 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 -4.76 -1.90 -4.37 1.24 3.72 -1.25 -5.00 117.46 105.13 2a5m n PHE 103 Ca 0.01 0.68 -0.19 0.00 -0.05 0.00 0.00 57.45 57.90 2a5m n PHE 103 Cb 0.55 -3.88 -0.10 0.00 -0.94 0.00 0.00 39.48 35.10 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 2.09 0.00 4.37 2.47 -1.11 -5.03 114.94 113.78 2a5m s ASN 104 Ca 0.22 -1.25 0.00 0.00 0.42 0.00 0.00 52.86 52.25 2a5m s ASN 104 Cb -0.07 -0.04 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 2a5m s ASN 104 CO 0.84 -0.50 0.00 0.61 -3.72 0.00 0.00 177.10 174.33 2a5m n GLY 105 N -0.50 -1.79 3.78 1.21 0.00 -1.26 -0.69 105.19 105.93 2a5m n GLY 105 Ca -0.04 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 2a5m n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 106 N 0.00 4.27 0.00 1.61 0.74 -1.26 -4.70 119.66 120.33 2a5m s GLN 106 Ca 0.00 1.54 0.06 0.00 0.05 0.00 0.00 55.36 57.01 2a5m s GLN 106 Cb 0.00 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 2a5m s GLN 106 CO 0.00 -0.05 -0.20 1.41 -0.55 0.00 0.00 175.29 175.90 2a5m s MET 107 N -2.30 2.18 -0.04 1.67 -2.45 -1.26 -1.16 119.30 115.95 2a5m s MET 107 Ca 0.55 -0.90 0.03 0.00 -1.25 0.00 0.00 55.69 54.12 2a5m s MET 107 Cb -0.23 -2.19 0.00 0.00 1.25 0.00 0.00 34.83 33.67 2a5m s MET 107 CO 0.29 0.57 -0.11 0.71 1.05 0.00 0.00 175.02 177.53 2a5m s TYR 108 N -0.78 1.19 -0.05 4.11 2.02 -0.70 -4.97 117.35 118.16 2a5m s TYR 108 Ca 0.12 -0.33 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 2a5m s TYR 108 Cb -0.10 -0.84 -0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2a5m s TYR 108 CO 0.02 -0.14 -0.23 -2.00 -1.57 0.00 0.00 175.55 171.63 2a5m s GLU 109 N 0.25 2.34 0.02 -0.62 -6.30 -1.26 -1.34 118.70 111.79 2a5m s GLU 109 Ca -0.05 -0.84 -0.15 0.00 -2.50 0.00 0.00 54.97 51.43 2a5m s GLU 109 Cb -0.10 -2.01 0.02 0.00 0.00 0.00 0.00 34.13 32.04 2a5m s GLU 109 CO 0.01 0.36 0.32 -0.08 0.02 0.00 0.00 175.26 175.90 2a5m s THR 110 N -0.15 0.07 -1.06 -1.70 -1.32 -0.77 -5.00 115.64 105.71 2a5m s THR 110 Ca -0.03 -0.57 0.12 0.00 -1.21 0.00 0.00 61.69 60.00 2a5m s THR 110 Cb -0.13 -0.83 0.35 0.00 -1.51 0.00 0.00 72.50 70.38 2a5m s THR 110 CO 0.03 -0.32 1.29 0.35 -2.21 0.00 0.00 174.62 173.77 2a5m n THR 111 N 0.81 1.00 -4.50 5.08 -2.24 -1.26 -2.05 114.28 111.12 2a5m n THR 111 Ca -0.20 -1.00 -0.24 0.00 -2.27 0.00 0.00 64.05 60.34 2a5m n THR 111 Cb 0.58 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.71 -0.78 8.01 -1.26 -4.89 118.70 121.21 2a5m s GLU 112 Ca 0.27 -1.86 -0.15 0.00 0.01 0.00 0.00 54.97 53.25 2a5m s GLU 112 Cb 0.14 -1.63 0.03 0.00 -4.31 0.00 0.00 34.13 28.35 2a5m s GLU 112 CO 0.18 0.18 1.15 -0.51 0.01 0.00 0.00 175.26 176.27 2a5m s ASP 113 N -3.55 4.61 -0.23 -0.19 1.11 -1.26 -4.92 116.67 112.24 2a5m s ASP 113 Ca 0.31 2.14 0.01 0.00 0.18 0.00 0.00 52.55 55.19 2a5m s ASP 113 Cb 0.00 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.48 2a5m s ASP 113 CO 0.15 -1.97 -0.08 0.00 1.18 0.00 0.00 175.17 174.44 2a5m h PRO 115 N 7.92 0.20 -2.87 0.00 0.13 -1.89 -2.28 132.00 133.19 2a5m h PRO 115 Ca -0.21 -0.23 -0.44 0.00 -0.87 0.00 0.00 66.00 64.25 2a5m h PRO 115 Cb 1.07 0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2a5m h PRO 115 CO 0.44 0.98 -0.73 -1.54 -0.23 0.00 0.00 178.00 176.92 2a5m s SER 116 N -6.94 2.35 0.24 1.44 1.04 -1.26 -2.05 113.70 108.53 2a5m s SER 116 Ca -0.03 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.68 2a5m s SER 116 Cb 0.10 -0.12 0.26 0.00 0.10 0.00 0.00 66.02 66.36 2a5m s SER 116 CO 0.83 -0.36 1.79 0.40 0.98 0.00 0.00 173.24 176.88 2a5m h ILE 117 N 6.39 1.25 -0.47 -1.02 2.04 -0.97 -2.00 117.51 122.73 2a5m h ILE 117 Ca -0.16 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 2a5m h ILE 117 Cb 1.12 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2a5m h ILE 117 CO 0.32 0.33 -0.09 -0.03 0.00 0.00 0.00 178.15 178.68 2a5m h MET 118 N 1.01 0.84 -0.32 2.37 4.05 -1.79 0.40 114.93 121.49 2a5m h MET 118 Ca 0.23 -0.28 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 2a5m h MET 118 Cb 0.26 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2a5m h MET 118 CO -0.01 0.90 -0.45 1.49 0.23 0.00 0.00 176.91 179.07 2a5m h GLU 119 N 0.76 0.84 0.07 0.39 4.22 -1.83 0.16 114.58 119.20 2a5m h GLU 119 Ca 0.13 -0.47 -0.11 0.00 0.08 0.00 0.00 59.36 58.99 2a5m h GLU 119 Cb 0.58 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.87 2a5m h GLU 119 CO 0.04 1.11 -0.49 0.37 -2.18 0.00 0.00 179.01 177.86 2a5m h GLN 120 N 0.67 0.16 -0.01 1.92 4.15 -1.13 -3.39 115.11 117.48 2a5m h GLN 120 Ca 0.04 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2a5m h GLN 120 Cb 1.03 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2a5m h GLN 120 CO 0.10 1.13 -0.08 1.19 -1.93 0.00 0.00 178.83 179.24 2a5m n PHE 121 N -4.34 0.00 -2.78 3.99 3.72 0.14 -4.98 117.46 113.21 2a5m n PHE 121 Ca -0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.06 2a5m n PHE 121 Cb 0.67 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.23 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 0.33 -1.56 -4.86 1.38 8.25 0.57 -4.96 115.22 114.37 2a5m n HIS 122 Ca 0.06 0.33 -0.33 0.00 -0.26 0.00 0.00 57.72 57.52 2a5m n HIS 122 Cb 0.26 -4.17 -0.14 0.00 1.12 0.00 0.00 29.99 27.07 2a5m n HIS 122 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a5m s LEU 123 N -6.13 2.70 0.19 2.41 1.43 -1.25 -4.96 118.68 113.07 2a5m s LEU 123 Ca 0.19 -0.26 0.21 0.00 -1.03 0.00 0.00 54.13 53.24 2a5m s LEU 123 Cb -0.09 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2a5m s LEU 123 CO 0.24 0.26 1.04 0.03 0.23 0.00 0.00 176.35 178.15 2a5m h ARG 124 N 5.97 0.00 -3.80 1.70 3.08 -1.93 -3.20 114.38 116.20 2a5m h ARG 124 Ca -0.37 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.59 2a5m h ARG 124 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.10 2a5m h ARG 124 CO 0.52 0.06 -0.29 -1.21 -1.07 0.00 0.00 179.97 177.98 2a5m s GLU 125 N -3.27 1.09 -0.08 0.04 2.02 -1.26 -4.56 118.70 112.67 2a5m s GLU 125 Ca -0.01 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 53.92 2a5m s GLU 125 Cb 0.09 0.38 0.02 0.00 0.10 0.00 0.00 34.13 34.72 2a5m s GLU 125 CO 0.79 -0.40 -0.10 0.42 0.02 0.00 0.00 175.26 175.99 2a5m s ILE 126 N -3.93 1.06 -0.37 -1.63 -1.09 -0.94 -4.90 121.20 109.41 2a5m s ILE 126 Ca 0.13 -0.39 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 2a5m s ILE 126 Cb 0.03 -1.02 -0.14 0.00 -1.58 0.00 0.00 42.46 39.76 2a5m s ILE 126 CO -0.03 0.35 0.40 1.41 -1.23 0.00 0.00 174.94 175.84 2a5m n HIS 127 N 4.27 0.00 -3.49 3.97 8.25 -1.25 -4.69 115.22 122.28 2a5m n HIS 127 Ca -0.19 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.12 2a5m n HIS 127 Cb 0.51 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.43 -0.60 -0.24 0.41 1.04 -1.25 -2.08 113.70 108.55 2a5m s SER 128 Ca 0.02 0.45 -0.27 0.00 0.48 0.00 0.00 55.95 56.62 2a5m s SER 128 Cb 0.08 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.88 2a5m s SER 128 CO 0.46 -0.71 1.09 0.00 0.98 0.00 0.00 173.24 175.07 2a5m s LYS 130 N -0.37 1.04 -0.11 0.00 -2.85 -0.85 -1.84 119.74 114.77 2a5m s LYS 130 Ca 0.02 -1.25 -0.06 0.00 -1.00 0.00 0.00 55.97 53.68 2a5m s LYS 130 Cb -0.03 -2.41 -0.04 0.00 -2.06 0.00 0.00 37.83 33.29 2a5m s LYS 130 CO -0.05 -0.91 0.12 0.54 0.10 0.00 0.00 175.35 175.16 2a5m s VAL 131 N 1.40 5.29 -0.46 1.79 0.11 -1.25 -3.87 120.40 123.41 2a5m s VAL 131 Ca 0.07 0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2a5m s VAL 131 Cb -0.18 -3.30 0.13 0.00 -1.53 0.00 0.00 36.38 31.50 2a5m s VAL 131 CO -0.17 0.60 0.23 -0.69 -3.33 0.00 0.00 175.10 171.73 2a5m s VAL 132 N -1.02 1.98 0.00 2.04 1.01 -1.26 -3.66 120.40 119.49 2a5m s VAL 132 Ca 0.15 -2.84 0.00 0.00 0.00 0.00 0.00 61.98 59.29 2a5m s VAL 132 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2a5m s VAL 132 CO 0.05 -0.82 0.00 1.21 0.00 0.00 0.00 175.10 175.54 2a5m n GLU 133 N 3.45 0.00 0.00 2.72 2.13 -1.26 -4.73 120.64 122.95 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 0.34 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.05 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 0.47 3.86 2.81 8.31 0.00 -1.26 -4.65 105.19 114.74 2a5m n GLY 134 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2a5m n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5m s THR 135 N 0.00 1.16 0.02 2.61 -4.23 -1.26 -3.87 115.64 110.07 2a5m s THR 135 Ca 0.00 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2a5m s THR 135 Cb 0.00 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2a5m s THR 135 CO 0.00 -0.50 -0.10 0.26 -0.54 0.00 0.00 174.62 173.73 2a5m s TRP 136 N 1.50 0.91 -0.06 3.99 0.52 -0.85 -2.07 118.94 122.87 2a5m s TRP 136 Ca 0.06 -0.31 0.05 0.00 0.02 0.00 0.00 56.10 55.92 2a5m s TRP 136 Cb -0.18 -0.55 -0.01 0.00 -1.15 0.00 0.00 33.47 31.58 2a5m s TRP 136 CO -0.17 -0.01 -0.23 0.42 0.02 0.00 0.00 176.95 176.98 2a5m s ILE 137 N -0.74 2.19 -0.04 2.03 1.01 -0.45 -0.08 121.20 125.13 2a5m s ILE 137 Ca -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.65 2a5m s ILE 137 Cb -0.07 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2a5m s ILE 137 CO 0.01 0.57 -0.09 -0.36 0.00 0.00 0.00 174.94 175.07 2a5m s PHE 138 N -0.14 2.86 0.03 3.97 0.40 0.06 -0.98 117.98 124.19 2a5m s PHE 138 Ca -0.04 -0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.33 2a5m s PHE 138 Cb -0.14 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 2a5m s PHE 138 CO 0.04 0.32 -0.22 0.71 0.70 0.00 0.00 175.22 176.77 2a5m s TYR 139 N -0.87 1.93 0.22 0.36 1.51 0.88 -0.43 117.35 120.96 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 -1.17 0.16 0.00 -0.11 0.00 0.00 41.96 40.73 2a5m s TYR 139 CO 0.04 0.07 1.50 1.49 -1.11 0.00 0.00 175.55 177.53 2a5m h GLU 140 N 5.03 0.07 -6.44 -0.62 4.81 -1.35 -1.62 114.58 114.47 2a5m h GLU 140 Ca -0.43 -0.07 -0.62 0.00 -0.13 0.00 0.00 59.36 58.11 2a5m h GLU 140 Cb 1.15 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.40 2a5m h GLU 140 CO 0.45 0.78 -0.74 -0.51 -0.73 0.00 0.00 179.01 178.26 2a5m s LEU 141 N -7.46 2.88 1.10 1.64 1.43 -0.14 -3.40 118.68 114.73 2a5m s LEU 141 Ca -0.02 -0.66 -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 0.79 0.09 0.68 -0.81 0.23 0.00 0.00 176.35 177.34 2a5m n PRO 142 N -0.03 -1.69 -2.63 1.29 -0.04 -1.26 -2.50 135.00 128.13 2a5m n PRO 142 Ca -0.10 -0.46 -0.21 0.00 -0.04 0.00 0.00 63.50 62.68 2a5m n PRO 142 Cb 0.56 -2.03 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 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 -3.52 -5.96 -3.51 3.54 2.85 -0.87 -2.88 115.26 104.92 2a5m n ASN 143 Ca 0.04 -0.11 -0.19 0.00 -0.11 0.00 0.00 54.58 54.21 2a5m n ASN 143 Cb 0.56 -4.91 0.07 0.00 1.24 0.00 0.00 39.78 36.74 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 -4.18 -2.12 -4.41 1.20 4.01 -1.23 -5.02 117.16 105.40 2a5m n TYR 144 Ca -0.20 0.87 -0.21 0.00 -0.16 0.00 0.00 57.90 58.21 2a5m n TYR 144 Cb 0.66 -4.63 -0.10 0.00 -0.31 0.00 0.00 39.34 34.96 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 -5.46 1.52 0.88 -0.72 1.81 -1.04 -5.02 118.95 110.92 2a5m s ARG 145 Ca 0.09 -1.78 0.00 0.00 -1.72 0.00 0.00 55.73 52.32 2a5m s ARG 145 Cb -0.02 -1.05 0.00 0.00 -0.45 0.00 0.00 34.95 33.44 2a5m s ARG 145 CO 0.77 -0.00 0.00 0.41 -0.68 0.00 0.00 175.30 175.79 2a5m n GLY 146 N -0.57 -1.81 3.77 -3.53 0.00 -1.26 -0.97 105.19 100.83 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 0.09 1.61 3.52 -1.26 -4.72 118.95 122.45 2a5m s ARG 147 Ca 0.00 2.00 0.07 0.00 -0.13 0.00 0.00 55.73 57.67 2a5m s ARG 147 Cb 0.00 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2a5m s ARG 147 CO 0.00 -0.19 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.51 2a5m s GLN 148 N -1.96 2.07 -0.06 5.12 -0.21 -1.26 -1.63 119.66 121.74 2a5m s GLN 148 Ca 0.52 -1.03 0.05 0.00 0.02 0.00 0.00 55.36 54.92 2a5m s GLN 148 Cb -0.35 -2.26 -0.00 0.00 1.00 0.00 0.00 33.01 31.40 2a5m s GLN 148 CO 0.45 0.52 -0.20 0.71 -2.12 0.00 0.00 175.29 174.65 2a5m s TYR 149 N -1.13 2.01 -0.26 0.91 2.02 0.43 -4.50 117.35 116.83 2a5m s TYR 149 Ca 0.19 -0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 56.09 2a5m s TYR 149 Cb -0.11 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 2a5m s TYR 149 CO 0.11 -0.23 0.38 -1.17 -1.57 0.00 0.00 175.55 173.07 2a5m s LEU 150 N 0.10 4.06 0.00 -1.29 2.96 -1.26 -0.76 118.68 122.50 2a5m s LEU 150 Ca -0.07 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 2a5m s LEU 150 Cb -0.14 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2a5m s LEU 150 CO 0.04 -0.16 0.22 -0.76 -1.32 0.00 0.00 176.35 174.37 2a5m s LEU 151 N 1.92 4.37 0.00 -0.68 1.02 0.89 -4.96 118.68 121.23 2a5m s LEU 151 Ca 0.16 0.44 0.05 0.00 0.02 0.00 0.00 54.13 54.80 2a5m s LEU 151 Cb -0.15 -2.65 0.05 0.00 0.02 0.00 0.00 46.19 43.45 2a5m s LEU 151 CO 0.09 0.25 0.39 0.47 0.02 0.00 0.00 176.35 177.57 2a5m n ASP 152 N 1.01 2.70 -1.64 2.29 8.00 -1.26 -2.02 116.55 125.63 2a5m n ASP 152 Ca -0.11 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.57 2a5m n ASP 152 Cb 0.53 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.72 0.58 -4.06 -1.24 2.85 -1.25 -4.57 118.16 108.74 2a5m n LYS 153 Ca -0.02 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.97 2a5m n LYS 153 Cb 0.60 -1.21 -0.03 0.00 -0.65 0.00 0.00 35.03 33.74 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 0.80 2.25 -0.23 -1.58 1.02 -1.24 -4.74 119.74 116.02 2a5m s LYS 154 Ca 0.00 -2.05 -0.07 0.00 0.02 0.00 0.00 55.97 53.87 2a5m s LYS 154 Cb 0.00 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2a5m s LYS 154 CO 0.00 -0.49 0.06 -1.21 -0.92 0.00 0.00 175.35 172.79 2a5m s GLU 155 N -4.16 3.71 -0.36 1.68 8.01 -1.26 -3.81 118.70 122.51 2a5m s GLU 155 Ca 0.30 -0.46 -0.15 0.00 0.01 0.00 0.00 54.97 54.67 2a5m s GLU 155 Cb -0.01 -3.28 -0.00 0.00 -4.31 0.00 0.00 34.13 26.53 2a5m s GLU 155 CO 0.18 -0.08 0.35 0.71 0.01 0.00 0.00 175.26 176.43 2a5m s TYR 156 N 1.33 3.21 -0.10 1.61 1.51 -0.77 -4.94 117.35 119.20 2a5m s TYR 156 Ca 0.05 -0.17 0.16 0.00 -1.01 0.00 0.00 57.07 56.10 2a5m s TYR 156 Cb -0.15 -2.68 -0.20 0.00 -0.11 0.00 0.00 41.96 38.82 2a5m s TYR 156 CO 0.03 -0.49 0.62 2.89 -1.11 0.00 0.00 175.55 177.49 2a5m n ARG 157 N 5.37 0.64 -4.34 -0.62 1.85 -1.26 -1.98 116.66 116.31 2a5m n ARG 157 Ca -0.09 0.18 -0.22 0.00 -1.00 0.00 0.00 57.85 56.72 2a5m n ARG 157 Cb 0.49 -1.74 -0.11 0.00 -1.05 0.00 0.00 32.46 30.05 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 -2.77 1.31 0.22 2.89 1.02 -1.25 0.39 119.74 121.53 2a5m s LYS 158 Ca -0.05 -1.44 -0.08 0.00 0.02 0.00 0.00 55.97 54.42 2a5m s LYS 158 Cb 0.08 -1.37 0.18 0.00 -0.52 0.00 0.00 37.83 36.20 2a5m s LYS 158 CO 0.82 0.28 1.84 -1.00 -0.92 0.00 0.00 175.35 176.37 2a5m h PRO 159 N 3.17 1.15 0.00 -1.68 0.13 -1.73 -1.36 132.00 131.69 2a5m h PRO 159 Ca -0.42 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2a5m h PRO 159 Cb 1.21 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2a5m h PRO 159 CO 0.52 0.84 0.00 0.28 -0.23 0.00 0.00 178.00 179.41 2a5m h VAL 160 N 1.15 0.00 0.00 1.56 2.07 -1.90 -1.76 116.25 117.37 2a5m h VAL 160 Ca 0.29 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 2a5m h VAL 160 Cb 0.02 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2a5m h VAL 160 CO -0.05 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.98 2a5m h ASP 161 N 0.00 0.00 -0.60 0.57 5.19 -1.55 -2.09 116.42 117.94 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 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 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 -2.79 1.47 -0.70 4.55 2.14 -0.66 -4.92 117.44 116.53 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 0.19 -0.27 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 0.94 0.64 3.85 -1.67 0.00 -0.79 -4.60 105.19 103.57 2a5m n GLY 163 Ca 0.25 -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 3.80 -1.42 4.61 0.00 -1.25 -4.98 121.76 120.53 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 -1.89 1.07 0.00 0.00 0.00 0.00 23.12 22.30 2a5m s ALA 164 CO 0.00 0.63 1.78 0.00 0.00 0.00 0.00 175.76 178.16 2a5m n ALA 165 N 1.92 2.84 -2.94 0.00 0.00 -1.26 -3.91 120.51 117.16 2a5m n ALA 165 Ca -0.19 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 2a5m n ALA 165 Cb 0.55 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.67 0.29 0.00 0.00 1.04 -1.26 -5.00 113.70 106.10 2a5m s SER 166 Ca 0.23 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2a5m s SER 166 Cb 0.19 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2a5m s SER 166 CO 0.53 -0.30 0.57 -0.81 0.98 0.00 0.00 173.24 174.21 2a5m n PRO 167 N 1.54 0.70 -2.76 4.02 -0.04 -1.26 -4.78 135.00 132.42 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 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.63 3.67 -0.16 0.55 0.00 -1.26 -2.21 121.76 120.72 2a5m s ALA 168 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 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 -0.99 0.36 0.42 0.00 0.00 0.00 175.76 175.54 2a5m s ILE 169 N 3.04 -0.35 -0.30 0.00 1.01 -1.26 -4.68 121.20 118.65 2a5m s ILE 169 Ca 0.40 0.17 0.09 0.00 0.00 0.00 0.00 60.65 61.31 2a5m s ILE 169 Cb -0.15 -0.56 -0.11 0.00 0.01 0.00 0.00 42.46 41.65 2a5m s ILE 169 CO 0.07 0.07 0.32 0.00 0.00 0.00 0.00 174.94 175.40 2a5m n GLN 170 N 4.94 3.11 -3.52 2.79 1.13 -0.63 -4.46 117.38 120.73 2a5m n GLN 170 Ca -0.14 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 54.78 2a5m n GLN 170 Cb 0.51 -0.99 -0.03 0.00 0.11 0.00 0.00 30.24 29.84 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 -2.14 -0.42 0.02 1.08 1.04 -1.08 -0.36 113.70 111.84 2a5m s SER 171 Ca 0.02 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.16 2a5m s SER 171 Cb 0.06 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2a5m s SER 171 CO 0.36 -0.90 0.35 0.72 0.98 0.00 0.00 173.24 174.75 2a5m s PHE 172 N -3.69 -0.20 0.01 5.02 -0.12 -0.86 -0.08 117.98 118.05 2a5m s PHE 172 Ca 0.01 0.21 -0.04 0.00 -0.05 0.00 0.00 56.93 57.07 2a5m s PHE 172 Cb 0.00 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 2a5m s PHE 172 CO -0.12 -0.48 0.06 1.03 -0.05 0.00 0.00 175.22 175.66 2a5m s ARG 173 N -1.97 0.37 0.12 1.99 0.52 -0.16 -1.63 118.95 118.19 2a5m s ARG 173 Ca -0.09 -0.43 -0.22 0.00 -0.52 0.00 0.00 55.73 54.47 2a5m s ARG 173 Cb -0.02 0.14 -0.07 0.00 0.52 0.00 0.00 34.95 35.52 2a5m s ARG 173 CO 0.01 -0.08 0.67 -0.98 0.02 0.00 0.00 175.30 174.94 2a5m s ARG 174 N -1.25 4.37 -0.14 3.54 1.70 -1.26 -1.34 118.95 124.57 2a5m s ARG 174 Ca -0.14 0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 55.90 2a5m s ARG 174 Cb -0.08 -3.23 -0.05 0.00 -0.57 0.00 0.00 34.95 31.03 2a5m s ARG 174 CO 0.00 0.60 0.36 0.42 -1.08 0.00 0.00 175.30 175.60 2a5m s ILE 175 N -1.15 5.26 0.03 4.99 1.01 -0.88 -4.94 121.20 125.52 2a5m s ILE 175 Ca 0.33 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.68 2a5m s ILE 175 Cb -0.21 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2a5m s ILE 175 CO 0.22 0.38 -0.07 0.68 0.00 0.00 0.00 174.94 176.15 2a5m s VAL 176 N 0.44 0.52 0.00 2.92 -7.23 -1.26 -4.86 120.40 110.93 2a5m s VAL 176 Ca 0.20 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2a5m s VAL 176 Cb -0.14 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.25 2a5m s VAL 176 CO 0.06 -0.26 0.00 1.21 -0.31 0.00 0.00 175.10 175.81