#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 2.88 0.00 4.33 1.02 -1.26 -4.92 119.74 121.79 2a5m s LYS 2 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.04 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 -2.59 0.00 0.25 -0.92 0.00 0.00 175.35 172.09 2a5m n THR 3 N 7.01 0.00 0.00 2.17 -2.24 -1.26 -5.13 114.28 114.84 2a5m n THR 3 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2a5m n THR 3 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2a5m n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5m n GLY 4 N 5.00 -1.49 3.82 3.38 0.00 -1.26 -5.16 105.19 109.49 2a5m n GLY 4 Ca 0.00 0.91 -0.33 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 2.36 -0.16 -0.02 0.00 -1.26 -4.73 107.32 103.51 2a5m s GLY 5 Ca 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 44.72 44.99 2a5m s GLY 5 CO 0.00 0.68 0.41 1.25 0.00 0.00 0.00 173.10 175.44 2a5m s LYS 6 N -3.31 0.45 0.01 2.90 2.20 -0.42 -4.58 119.74 116.98 2a5m s LYS 6 Ca 0.62 0.64 0.04 0.00 -0.36 0.00 0.00 55.97 56.92 2a5m s LYS 6 Cb -0.10 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 2a5m s LYS 6 CO 0.16 -0.09 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.44 2a5m s ILE 7 N 0.60 0.98 -0.09 5.43 2.07 -0.92 -1.20 121.20 128.08 2a5m s ILE 7 Ca -0.03 -0.68 0.04 0.00 -1.41 0.00 0.00 60.65 58.56 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 0.16 -0.20 -0.55 -1.91 0.00 0.00 174.94 172.40 2a5m s SER 8 N -0.60 2.65 -0.07 4.50 0.15 0.60 -1.58 113.70 119.36 2a5m s SER 8 Ca 0.03 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2a5m s SER 8 Cb -0.06 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.05 2a5m s SER 8 CO 0.00 0.13 -0.05 -0.36 1.20 0.00 0.00 173.24 174.15 2a5m s PHE 9 N 0.40 2.98 -0.02 3.44 0.40 0.05 -0.31 117.98 124.92 2a5m s PHE 9 Ca -0.16 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 2a5m s PHE 9 Cb -0.17 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 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 -0.82 2.02 0.25 0.36 1.51 0.35 -1.08 117.35 119.95 2a5m s TYR 10 Ca 0.12 -0.42 0.19 0.00 -1.01 0.00 0.00 57.07 55.95 2a5m s TYR 10 Cb -0.11 -1.31 0.83 0.00 -0.11 0.00 0.00 41.96 41.26 2a5m s TYR 10 CO 0.02 -0.07 1.81 0.93 -1.11 0.00 0.00 175.55 177.13 2a5m h GLU 11 N 5.69 0.00 -5.89 -0.62 5.08 -1.48 0.48 114.58 117.84 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 0.33 -0.50 -0.51 -1.00 0.00 0.00 179.01 177.80 2a5m s ASP 12 N -6.49 4.40 0.65 1.42 1.11 -0.57 -3.46 116.67 113.73 2a5m s ASP 12 Ca -0.01 -1.09 -0.13 0.00 0.18 0.00 0.00 52.55 51.49 2a5m s ASP 12 Cb 0.12 -0.48 -0.01 0.00 1.07 0.00 0.00 42.92 43.62 2a5m s ASP 12 CO 0.68 -0.54 1.06 -0.13 1.18 0.00 0.00 175.17 177.42 2a5m s ARG 13 N -3.90 3.09 -1.06 8.23 0.52 -1.26 -3.62 118.95 120.95 2a5m s ARG 13 Ca 0.41 1.10 -0.04 0.00 -0.52 0.00 0.00 55.73 56.68 2a5m s ARG 13 Cb 0.04 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2a5m s ARG 13 CO 0.22 -0.99 0.47 0.09 0.02 0.00 0.00 175.30 175.12 2a5m n ASN 14 N -2.58 -4.76 -4.00 0.23 4.13 -0.64 -3.07 115.26 104.57 2a5m n ASN 14 Ca 0.08 -0.22 -0.29 0.00 1.68 0.00 0.00 54.58 55.83 2a5m n ASN 14 Cb 0.53 -3.59 -0.01 0.00 -1.54 0.00 0.00 39.78 35.17 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2a5m n PHE 15 N -4.14 -1.87 -4.11 3.10 -1.74 -1.25 -4.97 117.46 102.48 2a5m n PHE 15 Ca -0.07 0.81 -0.23 0.00 -0.56 0.00 0.00 57.45 57.40 2a5m n PHE 15 Cb 0.58 -3.63 -0.07 0.00 1.52 0.00 0.00 39.48 37.88 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 -6.62 2.32 0.63 3.97 -0.21 -1.17 -5.01 119.66 113.57 2a5m s GLN 16 Ca 0.39 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.15 2a5m s GLN 16 Cb -0.20 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 31.68 2a5m s GLN 16 CO 0.88 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 174.52 2a5m n GLY 17 N -1.16 -1.86 3.77 3.09 0.00 -1.26 -1.51 105.19 106.26 2a5m n GLY 17 Ca -0.03 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 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 4.01 0.13 1.61 3.52 -1.26 -4.75 118.95 122.21 2a5m s ARG 18 Ca 0.00 1.85 0.11 0.00 -0.13 0.00 0.00 55.73 57.56 2a5m s ARG 18 Cb 0.00 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2a5m s ARG 18 CO 0.00 -0.36 -0.26 0.50 -0.81 0.00 0.00 175.30 174.36 2a5m s ARG 19 N -2.35 1.37 -0.06 5.12 3.00 -1.26 -1.89 118.95 122.88 2a5m s ARG 19 Ca 0.58 -1.34 0.01 0.00 -1.00 0.00 0.00 55.73 53.98 2a5m s ARG 19 Cb -0.31 -1.83 0.02 0.00 0.00 0.00 0.00 34.95 32.83 2a5m s ARG 19 CO 0.39 0.43 -0.06 -0.47 0.00 0.00 0.00 175.30 175.59 2a5m s TYR 20 N -1.10 0.98 -0.07 5.12 5.04 -0.24 -4.96 117.35 122.11 2a5m s TYR 20 Ca 0.13 -0.33 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 2a5m s TYR 20 Cb -0.10 -0.83 -0.02 0.00 0.35 0.00 0.00 41.96 41.36 2a5m s TYR 20 CO 0.06 -0.26 -0.12 0.34 -1.34 0.00 0.00 175.55 174.23 2a5m s ASP 21 N 1.06 4.16 -0.01 4.32 2.15 -1.26 -0.77 116.67 126.32 2a5m s ASP 21 Ca -0.08 -0.19 0.03 0.00 0.43 0.00 0.00 52.55 52.74 2a5m s ASP 21 Cb -0.14 -1.10 -0.01 0.00 -0.30 0.00 0.00 42.92 41.37 2a5m s ASP 21 CO -0.01 0.30 -0.10 0.00 -0.17 0.00 0.00 175.17 175.19 2a5m n ASP 23 N 2.88 2.36 -3.41 0.00 9.92 -1.26 -2.17 116.55 124.87 2a5m n ASP 23 Ca -0.14 -2.14 -0.08 0.00 -0.53 0.00 0.00 54.79 51.90 2a5m n ASP 23 Cb 0.56 -0.12 -0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a5m s ASP 25 N -3.02 5.75 -0.13 0.00 1.11 -1.26 -4.73 116.67 114.39 2a5m s ASP 25 Ca 0.15 2.77 -0.01 0.00 0.18 0.00 0.00 52.55 55.64 2a5m s ASP 25 Cb -0.05 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.34 2a5m s ASP 25 CO 0.10 -1.24 -0.03 0.00 1.18 0.00 0.00 175.17 175.17 2a5m h ALA 27 N 8.20 0.75 -1.52 0.00 0.00 -1.90 -1.56 119.26 123.23 2a5m h ALA 27 Ca -0.24 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.07 2a5m h ALA 27 Cb 1.12 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.56 2a5m h ALA 27 CO 0.36 0.65 -0.49 0.34 0.00 0.00 0.00 179.25 180.11 2a5m s ASP 28 N -6.48 -0.15 0.00 0.00 2.15 -1.26 -3.87 116.67 107.06 2a5m s ASP 28 Ca 0.02 -0.21 0.17 0.00 0.43 0.00 0.00 52.55 52.97 2a5m s ASP 28 Cb 0.09 1.35 0.48 0.00 -0.30 0.00 0.00 42.92 44.55 2a5m s ASP 28 CO 0.73 -0.34 1.40 2.22 -0.17 0.00 0.00 175.17 179.02 2a5m n PHE 29 N 5.37 0.73 0.28 -5.34 -1.74 -1.24 -4.51 117.46 111.00 2a5m n PHE 29 Ca 0.02 -0.48 0.18 0.00 -0.56 0.00 0.00 57.45 56.60 2a5m n PHE 29 Cb 0.51 -0.01 0.95 0.00 1.52 0.00 0.00 39.48 42.44 2a5m n PHE 29 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a5m h ARG 30 N 3.29 0.00 0.00 3.97 3.08 -1.80 0.50 114.38 123.42 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 -3.13 113.55 116.34 2a5m h SER 31 Ca 0.03 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2a5m h SER 31 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2a5m h SER 31 CO -0.00 0.00 -1.80 -1.22 -0.53 0.00 0.00 176.83 173.28 2a5m n TYR 32 N -2.60 0.00 -3.69 2.24 4.02 0.08 -4.95 117.16 112.26 2a5m n TYR 32 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 2a5m n TYR 32 Cb 0.35 -0.44 -0.12 0.00 -0.02 0.00 0.00 39.34 39.11 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 -4.32 -0.04 0.03 7.72 2.96 -0.69 -4.82 118.68 119.51 2a5m s LEU 33 Ca -0.06 0.68 0.26 0.00 -0.22 0.00 0.00 54.13 54.79 2a5m s LEU 33 Cb 0.09 0.93 0.71 0.00 0.50 0.00 0.00 46.19 48.42 2a5m s LEU 33 CO 0.67 -0.20 1.57 -1.54 -1.32 0.00 0.00 176.35 175.52 2a5m n SER 34 N 4.73 0.40 -3.57 3.68 3.41 -1.26 -4.18 113.62 116.84 2a5m n SER 34 Ca -0.17 0.07 -0.06 0.00 -0.26 0.00 0.00 58.87 58.46 2a5m n SER 34 Cb 0.52 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 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 -3.03 0.63 -0.13 4.33 6.06 -1.26 -4.98 118.95 120.57 2a5m s ARG 35 Ca 0.11 -0.26 -0.04 0.00 -2.50 0.00 0.00 55.73 53.04 2a5m s ARG 35 Cb 0.17 0.28 0.05 0.00 0.06 0.00 0.00 34.95 35.51 2a5m s ARG 35 CO 0.65 -0.28 0.09 0.00 -2.50 0.00 0.00 175.30 173.26 2a5m n ASN 37 N 5.29 1.98 -3.63 0.00 2.85 0.16 -4.56 115.26 117.35 2a5m n ASN 37 Ca -0.06 -1.49 -0.13 0.00 -0.11 0.00 0.00 54.58 52.79 2a5m n ASN 37 Cb 0.49 0.23 -0.06 0.00 1.24 0.00 0.00 39.78 41.68 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2a5m s SER 38 N -1.60 -0.35 -0.02 1.20 0.01 -1.02 -0.49 113.70 111.44 2a5m s SER 38 Ca 0.16 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.46 2a5m s SER 38 Cb 0.13 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.81 2a5m s SER 38 CO 0.29 -0.67 0.15 -0.63 0.41 0.00 0.00 173.24 172.79 2a5m s ILE 39 N -2.31 0.06 -0.12 1.44 1.01 -0.78 -0.49 121.20 120.00 2a5m s ILE 39 Ca -0.06 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2a5m s ILE 39 Cb -0.01 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.10 2a5m s ILE 39 CO -0.01 -0.27 -0.16 -0.60 0.00 0.00 0.00 174.94 173.90 2a5m s ARG 40 N -0.94 2.33 -0.33 2.79 3.52 0.57 -0.82 118.95 126.08 2a5m s ARG 40 Ca -0.10 -0.60 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 2a5m s ARG 40 Cb -0.06 -1.98 0.01 0.00 -1.56 0.00 0.00 34.95 31.36 2a5m s ARG 40 CO 0.01 -0.07 0.15 0.08 -0.81 0.00 0.00 175.30 174.65 2a5m s VAL 41 N 1.01 4.40 0.03 7.11 1.01 0.11 -0.29 120.40 133.78 2a5m s VAL 41 Ca -0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2a5m s VAL 41 Cb -0.15 -3.32 -0.27 0.00 0.00 0.00 0.00 36.38 32.64 2a5m s VAL 41 CO -0.03 -0.03 0.96 -0.08 0.00 0.00 0.00 175.10 175.93 2a5m h GLU 42 N 8.34 0.21 -1.91 2.72 4.81 -1.39 -1.98 114.58 125.38 2a5m h GLU 42 Ca -0.30 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.54 2a5m h GLU 42 Cb 1.13 0.14 -0.20 0.00 0.63 0.00 0.00 28.75 30.44 2a5m h GLU 42 CO 0.63 1.09 0.27 0.20 -0.73 0.00 0.00 179.01 180.47 2a5m s GLY 43 N -4.86 -0.51 0.00 1.92 0.00 -1.17 -4.84 107.32 97.86 2a5m s GLY 43 Ca -0.06 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.13 2a5m s GLY 43 CO 0.86 0.97 0.00 0.61 0.00 0.00 0.00 173.10 175.53 2a5m n GLY 44 N 0.85 -1.23 3.73 0.20 0.00 -1.26 -1.31 105.19 106.17 2a5m n GLY 44 Ca -0.17 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.46 3.57 -0.04 2.61 2.01 -1.26 -2.94 115.64 118.14 2a5m s THR 45 Ca 0.00 -1.68 -0.11 0.00 0.31 0.00 0.00 61.69 60.21 2a5m s THR 45 Cb 0.00 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.48 2a5m s THR 45 CO 0.00 -0.30 0.25 0.26 -0.69 0.00 0.00 174.62 174.15 2a5m s TRP 46 N -2.31 -0.15 -0.13 4.92 0.52 -0.29 -1.85 118.94 119.65 2a5m s TRP 46 Ca 0.34 0.29 -0.02 0.00 0.02 0.00 0.00 56.10 56.73 2a5m s TRP 46 Cb -0.06 0.06 -0.03 0.00 -1.15 0.00 0.00 33.47 32.30 2a5m s TRP 46 CO 0.22 -0.29 -0.05 0.00 0.02 0.00 0.00 176.95 176.86 2a5m s ALA 47 N -0.91 2.98 0.02 0.98 0.00 0.13 0.53 121.76 125.48 2a5m s ALA 47 Ca -0.10 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.11 2a5m s ALA 47 Cb -0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2a5m s ALA 47 CO 0.02 0.30 -0.24 0.14 0.00 0.00 0.00 175.76 175.99 2a5m s VAL 48 N 0.08 2.27 0.05 0.00 -7.23 -0.21 -1.05 120.40 114.31 2a5m s VAL 48 Ca -0.01 -1.22 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 2a5m s VAL 48 Cb -0.14 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2a5m s VAL 48 CO 0.03 0.45 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.70 2a5m s TYR 49 N -0.75 2.34 0.29 2.82 1.51 -0.59 -1.80 117.35 121.17 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 -1.39 0.45 0.00 -0.11 0.00 0.00 41.96 40.81 2a5m s TYR 49 CO 0.01 0.15 1.76 1.49 -1.11 0.00 0.00 175.55 177.86 2a5m h GLU 50 N 4.71 0.53 -5.72 -0.62 4.57 -1.42 -1.87 114.58 114.76 2a5m h GLU 50 Ca -0.47 -0.17 -0.48 0.00 -1.18 0.00 0.00 59.36 57.06 2a5m h GLU 50 Cb 1.14 -0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 29.53 2a5m h GLU 50 CO 0.43 0.67 -0.75 1.03 -1.18 0.00 0.00 179.01 179.22 2a5m s ARG 51 N -4.68 1.33 1.09 1.92 0.52 -0.75 -2.80 118.95 115.58 2a5m s ARG 51 Ca -0.07 -1.54 -0.16 0.00 -0.52 0.00 0.00 55.73 53.44 2a5m s ARG 51 Cb 0.14 -1.23 0.14 0.00 0.52 0.00 0.00 34.95 34.52 2a5m s ARG 51 CO 0.79 0.22 0.38 -0.35 0.02 0.00 0.00 175.30 176.36 2a5m n PRO 52 N -0.16 -1.50 -3.04 3.54 -0.04 -1.26 -2.87 135.00 129.67 2a5m n PRO 52 Ca -0.10 -0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 62.77 2a5m n PRO 52 Cb 0.59 -1.88 0.04 0.00 -0.04 0.00 0.00 33.50 32.22 2a5m n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2a5m n ASN 53 N -2.52 -5.35 -4.01 3.54 3.02 -1.25 -3.14 115.26 105.55 2a5m n ASN 53 Ca 0.03 -0.30 -0.29 0.00 -0.03 0.00 0.00 54.58 53.99 2a5m n ASN 53 Cb 0.58 -4.12 -0.03 0.00 -0.61 0.00 0.00 39.78 35.61 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2a5m n PHE 54 N -4.36 -1.58 -4.39 3.10 3.72 -1.25 -4.97 117.46 107.74 2a5m n PHE 54 Ca -0.06 0.63 -0.20 0.00 -0.05 0.00 0.00 57.45 57.78 2a5m n PHE 54 Cb 0.58 -3.44 -0.10 0.00 -0.94 0.00 0.00 39.48 35.58 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 -4.21 2.47 0.00 4.37 0.15 -1.14 -5.05 113.70 110.29 2a5m s SER 55 Ca 0.09 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2a5m s SER 55 Cb -0.04 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2a5m s SER 55 CO 0.91 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.59 2a5m n GLY 56 N -0.52 -1.74 3.77 9.45 0.00 -1.26 -1.82 105.19 113.08 2a5m n GLY 56 Ca -0.06 -1.62 -0.40 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 2.65 -0.08 1.61 3.76 -1.26 -4.68 115.29 117.28 2a5m s HIS 57 Ca 0.00 1.31 0.03 0.00 -0.15 0.00 0.00 55.06 56.25 2a5m s HIS 57 Cb 0.00 -3.84 -0.02 0.00 1.11 0.00 0.00 32.58 29.84 2a5m s HIS 57 CO 0.00 -2.58 -0.17 -1.64 -0.85 0.00 0.00 174.74 169.50 2a5m s MET 58 N -2.27 2.83 -0.02 1.40 1.00 -1.26 -1.94 119.30 119.03 2a5m s MET 58 Ca 0.57 -0.76 0.01 0.00 0.00 0.00 0.00 55.69 55.52 2a5m s MET 58 Cb -0.42 -2.40 0.01 0.00 0.00 0.00 0.00 34.83 32.02 2a5m s MET 58 CO 0.55 0.41 -0.03 0.71 0.00 0.00 0.00 175.02 176.66 2a5m s TYR 59 N -0.19 0.49 -0.14 -0.03 2.02 -0.74 -3.74 117.35 115.02 2a5m s TYR 59 Ca -0.01 -0.09 -0.13 0.00 -0.37 0.00 0.00 57.07 56.46 2a5m s TYR 59 Cb -0.13 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.93 2a5m s TYR 59 CO 0.03 -0.11 0.29 0.42 -1.57 0.00 0.00 175.55 174.62 2a5m s ILE 60 N 0.59 5.29 -0.25 2.71 1.09 -1.26 -1.04 121.20 128.32 2a5m s ILE 60 Ca -0.07 0.56 0.03 0.00 -1.10 0.00 0.00 60.65 60.07 2a5m s ILE 60 Cb -0.10 -3.62 0.06 0.00 -1.06 0.00 0.00 42.46 37.73 2a5m s ILE 60 CO -0.01 0.42 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.39 2a5m s LEU 61 N 0.21 3.32 0.87 2.97 1.43 0.19 -4.97 118.68 122.70 2a5m s LEU 61 Ca 0.17 -1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 51.80 2a5m s LEU 61 Cb -0.13 -1.52 0.11 0.00 0.03 0.00 0.00 46.19 44.69 2a5m s LEU 61 CO 0.05 -0.19 1.15 -2.16 0.23 0.00 0.00 176.35 175.43 2a5m s PRO 62 N 1.13 1.48 0.34 1.29 0.04 -1.26 -1.14 135.00 136.89 2a5m s PRO 62 Ca -0.08 0.26 -0.27 0.00 0.04 0.00 0.00 61.00 60.94 2a5m s PRO 62 Cb -0.20 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 2a5m s PRO 62 CO -0.05 -1.96 1.13 0.94 0.04 0.00 0.00 177.00 177.10 2a5m n GLN 63 N -3.60 1.69 -2.86 4.56 0.00 -1.15 -4.84 117.38 111.19 2a5m n GLN 63 Ca 0.07 0.60 0.00 0.00 -0.00 0.00 0.00 57.00 57.67 2a5m n GLN 63 Cb 0.60 -2.10 0.00 0.00 0.00 0.00 0.00 30.24 28.73 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 1.01 -1.41 3.28 1.69 0.00 -0.75 -4.98 105.19 104.03 2a5m n GLY 64 Ca 0.07 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.82 3.20 -0.39 1.61 2.12 -1.26 0.09 118.70 122.25 2a5m s GLU 65 Ca 0.00 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2a5m s GLU 65 Cb 0.00 -2.49 0.11 0.00 0.26 0.00 0.00 34.13 32.00 2a5m s GLU 65 CO 0.00 0.15 0.12 0.71 -0.54 0.00 0.00 175.26 175.70 2a5m s TYR 66 N 0.47 3.64 -1.34 5.30 1.51 0.00 -4.98 117.35 121.96 2a5m s TYR 66 Ca -0.13 -2.93 0.12 0.00 -1.01 0.00 0.00 57.07 53.12 2a5m s TYR 66 Cb -0.17 -2.97 0.57 0.00 -0.11 0.00 0.00 41.96 39.28 2a5m s TYR 66 CO 0.05 -0.92 1.30 -0.35 -1.11 0.00 0.00 175.55 174.52 2a5m n PRO 67 N 4.10 0.13 -3.50 -1.71 -0.04 -1.26 -1.87 135.00 130.84 2a5m n PRO 67 Ca 0.03 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2a5m n PRO 67 Cb 0.40 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.66 1.14 0.32 0.54 2.02 -1.26 -1.63 118.70 117.17 2a5m s GLU 68 Ca 0.10 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.86 2a5m s GLU 68 Cb 0.08 0.53 0.52 0.00 0.10 0.00 0.00 34.13 35.36 2a5m s GLU 68 CO 0.18 -0.44 1.99 0.10 0.02 0.00 0.00 175.26 177.11 2a5m h TYR 69 N 2.50 0.94 -0.00 1.61 -0.00 -1.09 -1.24 116.97 119.69 2a5m h TYR 69 Ca -0.31 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2a5m h TYR 69 Cb 1.24 -0.32 -0.00 0.00 -0.00 0.00 0.00 36.73 37.65 2a5m h TYR 69 CO 0.31 0.59 0.00 1.96 -0.00 0.00 0.00 178.16 181.02 2a5m h GLN 70 N 1.01 0.00 0.00 0.10 4.20 -1.87 -0.50 115.11 118.05 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 -0.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 2a5m h GLN 70 CO -0.06 0.00 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.00 2a5m h ARG 71 N 0.00 0.00 -0.34 1.46 9.65 -1.61 -1.92 114.38 121.62 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 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2a5m h ARG 71 CO -0.00 0.02 0.00 -2.67 2.80 0.00 0.00 179.97 180.12 2a5m n TRP 72 N -3.12 0.87 -1.79 2.20 2.14 -0.23 -4.93 117.44 112.57 2a5m n TRP 72 Ca -0.00 -0.71 -0.16 0.00 2.07 0.00 0.00 57.50 58.70 2a5m n TRP 72 Cb 0.27 -0.21 -0.05 0.00 -0.81 0.00 0.00 31.31 30.51 2a5m n TRP 72 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 2a5m n MET 73 N 0.06 -1.18 -1.93 -2.67 2.81 -0.72 -4.94 117.12 108.54 2a5m n MET 73 Ca 0.19 0.96 -0.38 0.00 -1.81 0.00 0.00 57.70 56.65 2a5m n MET 73 Cb 0.74 -5.22 0.03 0.00 -0.71 0.00 0.00 33.22 28.05 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 -2.61 2.85 0.15 3.03 0.00 -1.02 -4.91 107.32 104.81 2a5m s GLY 74 Ca 0.00 1.20 0.09 0.00 0.00 0.00 0.00 44.72 46.02 2a5m s GLY 74 CO 0.00 1.70 1.29 1.41 0.00 0.00 0.00 173.10 177.50 2a5m h LEU 75 N 1.61 0.00 0.00 0.66 3.38 -1.92 -3.42 115.31 115.61 2a5m h LEU 75 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 2a5m h LEU 75 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2a5m h LEU 75 CO 0.58 0.87 0.01 0.59 0.09 0.00 0.00 178.44 180.58 2a5m n ASN 76 N -3.30 -0.14 -2.07 -0.43 4.13 -1.26 -5.04 115.26 107.16 2a5m n ASN 76 Ca -0.00 -1.11 -0.17 0.00 1.68 0.00 0.00 54.58 54.97 2a5m n ASN 76 Cb 0.89 0.23 0.20 0.00 -1.54 0.00 0.00 39.78 39.57 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2a5m n ASP 77 N -1.34 3.98 -4.64 6.41 5.68 -1.26 -4.93 116.55 120.44 2a5m n ASP 77 Ca -0.00 -3.37 -0.38 0.00 -0.50 0.00 0.00 54.79 50.54 2a5m n ASP 77 Cb 0.04 -0.79 -0.09 0.00 -1.14 0.00 0.00 41.12 39.14 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 -2.95 4.08 -0.09 0.11 0.52 -1.26 -2.47 118.95 116.89 2a5m s ARG 78 Ca 0.52 -0.04 -0.04 0.00 -0.52 0.00 0.00 55.73 55.65 2a5m s ARG 78 Cb 0.43 -3.58 0.05 0.00 0.52 0.00 0.00 34.95 32.37 2a5m s ARG 78 CO 0.11 -0.07 0.17 -0.51 0.02 0.00 0.00 175.30 175.02 2a5m s LEU 79 N 1.44 -0.09 -0.01 2.53 1.43 -1.25 -4.30 118.68 118.43 2a5m s LEU 79 Ca 0.13 0.37 0.14 0.00 -1.03 0.00 0.00 54.13 53.74 2a5m s LEU 79 Cb -0.15 0.34 -0.20 0.00 0.03 0.00 0.00 46.19 46.21 2a5m s LEU 79 CO 0.07 -0.24 0.42 0.61 0.23 0.00 0.00 176.35 177.44 2a5m n GLY 80 N 5.30 -0.54 3.38 -3.19 0.00 -0.71 -4.86 105.19 104.58 2a5m n GLY 80 Ca -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.18 -0.42 -0.01 1.61 0.15 -1.24 -3.67 113.70 106.94 2a5m s SER 81 Ca -0.01 0.10 -0.07 0.00 0.70 0.00 0.00 55.95 56.66 2a5m s SER 81 Cb 0.10 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2a5m s SER 81 CO 0.59 -0.75 0.15 0.00 1.20 0.00 0.00 173.24 174.43 2a5m s ARG 83 N -1.12 0.63 0.06 0.00 0.52 -0.21 -0.80 118.95 118.03 2a5m s ARG 83 Ca -0.12 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 2a5m s ARG 83 Cb -0.06 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.75 2a5m s ARG 83 CO 0.01 0.16 1.07 0.00 0.02 0.00 0.00 175.30 176.57 2a5m s ALA 84 N -0.14 3.28 -0.20 2.13 0.00 -1.26 -0.69 121.76 124.88 2a5m s ALA 84 Ca 0.02 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 2a5m s ALA 84 Cb -0.03 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2a5m s ALA 84 CO -0.00 -0.28 0.55 0.08 0.00 0.00 0.00 175.76 176.11 2a5m s VAL 85 N 0.75 5.08 -0.03 0.00 1.01 -0.77 -4.87 120.40 121.56 2a5m s VAL 85 Ca 0.54 1.02 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 2a5m s VAL 85 Cb -0.26 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2a5m s VAL 85 CO 0.30 0.16 0.50 -1.00 0.00 0.00 0.00 175.10 175.06 2a5m s HIS 86 N 1.69 3.65 -0.11 5.22 3.76 -1.26 -4.05 115.29 124.20 2a5m s HIS 86 Ca 0.25 1.05 -0.10 0.00 -0.15 0.00 0.00 55.06 56.11 2a5m s HIS 86 Cb -0.16 -2.49 -0.05 0.00 1.11 0.00 0.00 32.58 31.00 2a5m s HIS 86 CO 0.10 0.39 0.21 -0.51 -0.85 0.00 0.00 174.74 174.08 2a5m s LEU 87 N -0.24 4.37 -0.18 0.89 1.43 -1.26 -4.63 118.68 119.06 2a5m s LEU 87 Ca 0.27 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2a5m s LEU 87 Cb -0.17 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 2a5m s LEU 87 CO 0.14 0.33 -0.06 -0.44 0.23 0.00 0.00 176.35 176.55 2a5m s SER 88 N -0.72 4.39 0.00 2.29 0.01 -1.26 -5.07 113.70 113.34 2a5m s SER 88 Ca 0.16 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2a5m s SER 88 Cb -0.13 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2a5m s SER 88 CO 0.05 0.09 0.00 -1.20 0.41 0.00 0.00 173.24 172.59 2a5m n SER 89 N 4.05 0.15 0.00 2.44 7.64 -1.26 -4.90 113.62 121.74 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 3.94 0.00 0.23 0.00 -1.26 -5.03 105.19 108.07 2a5m n GLY 90 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.76 3.07 -0.02 0.00 -1.26 -5.12 105.19 100.10 2a5m n GLY 91 Ca 0.00 0.82 -0.31 0.00 0.00 0.00 0.00 46.02 46.52 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 2.65 0.08 1.61 2.00 -1.26 -5.11 119.66 119.63 2a5m s GLN 92 Ca 0.00 -0.70 -0.30 0.00 -2.00 0.00 0.00 55.36 52.36 2a5m s GLN 92 Cb 0.00 -2.33 -0.05 0.00 0.80 0.00 0.00 33.01 31.43 2a5m s GLN 92 CO 0.00 -0.21 1.05 0.00 -0.50 0.00 0.00 175.29 175.63 2a5m s ALA 93 N 1.35 3.28 -0.01 1.58 0.00 -1.26 -5.04 121.76 121.66 2a5m s ALA 93 Ca 0.04 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.72 2a5m s ALA 93 Cb -0.13 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2a5m s ALA 93 CO -0.11 -0.22 -0.13 0.21 0.00 0.00 0.00 175.76 175.50 2a5m s LYS 94 N 0.49 1.05 0.01 0.00 2.20 -1.26 -4.61 119.74 117.62 2a5m s LYS 94 Ca 0.52 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.70 2a5m s LYS 94 Cb -0.25 -1.02 -0.02 0.00 -1.51 0.00 0.00 37.83 35.03 2a5m s LYS 94 CO 0.30 0.28 -0.19 -1.50 -0.36 0.00 0.00 175.35 173.88 2a5m s ILE 95 N -0.34 1.52 -0.07 5.43 2.07 -0.73 -4.26 121.20 124.82 2a5m s ILE 95 Ca 0.05 -0.94 0.04 0.00 -1.41 0.00 0.00 60.65 58.38 2a5m s ILE 95 Cb -0.05 -1.29 0.00 0.00 0.13 0.00 0.00 42.46 41.25 2a5m s ILE 95 CO -0.00 0.33 -0.18 0.00 -1.91 0.00 0.00 174.94 173.17 2a5m s GLN 96 N -0.72 2.24 0.06 3.50 -2.07 -1.22 -1.55 119.66 119.91 2a5m s GLN 96 Ca 0.07 -0.65 0.08 0.00 -1.82 0.00 0.00 55.36 53.04 2a5m s GLN 96 Cb -0.08 -1.79 -0.03 0.00 -1.09 0.00 0.00 33.01 30.02 2a5m s GLN 96 CO 0.00 0.15 -0.22 0.14 -1.32 0.00 0.00 175.29 174.04 2a5m s VAL 97 N 0.37 1.78 -0.02 3.63 -7.23 -0.39 -1.62 120.40 116.92 2a5m s VAL 97 Ca -0.13 -1.34 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 2a5m s VAL 97 Cb -0.16 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2a5m s VAL 97 CO 0.05 0.15 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.43 2a5m s PHE 98 N -0.90 2.49 0.40 2.82 0.40 -0.66 -1.76 117.98 120.76 2a5m s PHE 98 Ca 0.08 -0.31 0.14 0.00 -0.60 0.00 0.00 56.93 56.23 2a5m s PHE 98 Cb -0.09 -1.54 0.83 0.00 0.51 0.00 0.00 43.02 42.73 2a5m s PHE 98 CO 0.03 0.08 1.89 1.49 0.70 0.00 0.00 175.22 179.41 2a5m h GLU 99 N 5.31 0.00 -5.87 0.44 4.81 -1.19 -3.35 114.58 114.73 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 1.14 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 99 CO 0.48 0.30 -0.58 0.15 -0.73 0.00 0.00 179.01 178.63 2a5m s LYS 100 N -4.34 2.07 0.94 1.92 1.02 0.12 -4.41 119.74 117.06 2a5m s LYS 100 Ca -0.03 -1.90 -0.12 0.00 0.02 0.00 0.00 55.97 53.95 2a5m s LYS 100 Cb 0.15 -1.84 0.16 0.00 -0.52 0.00 0.00 37.83 35.77 2a5m s LYS 100 CO 0.71 0.00 1.09 0.20 -0.92 0.00 0.00 175.35 176.43 2a5m s GLY 101 N -3.77 1.62 -1.46 -3.33 0.00 -1.26 -3.02 107.32 96.10 2a5m s GLY 101 Ca 0.37 0.01 -0.10 0.00 0.00 0.00 0.00 44.72 45.00 2a5m s GLY 101 CO 0.20 0.53 0.93 1.22 0.00 0.00 0.00 173.10 175.98 2a5m n ASP 102 N -4.09 -5.55 -3.66 1.64 8.00 -0.17 -2.70 116.55 110.03 2a5m n ASP 102 Ca 0.07 -0.56 -0.25 0.00 0.71 0.00 0.00 54.79 54.76 2a5m n ASP 102 Cb 0.55 -4.42 0.04 0.00 -0.02 0.00 0.00 41.12 37.26 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 -4.70 -1.96 -4.39 1.24 3.72 -1.24 -5.00 117.46 105.13 2a5m n PHE 103 Ca -0.00 0.68 -0.19 0.00 -0.05 0.00 0.00 57.45 57.88 2a5m n PHE 103 Cb 0.56 -3.91 -0.10 0.00 -0.94 0.00 0.00 39.48 35.09 2a5m n PHE 103 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2a5m s ASN 104 N -3.88 2.27 0.00 4.37 -0.87 -1.10 -5.01 114.94 110.72 2a5m s ASN 104 Ca 0.25 -1.23 0.00 0.00 -1.57 0.00 0.00 52.86 50.31 2a5m s ASN 104 Cb -0.08 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 2a5m s ASN 104 CO 0.83 -0.46 0.00 0.61 -2.57 0.00 0.00 177.10 175.51 2a5m n GLY 105 N -0.52 -1.80 3.78 0.66 0.00 -1.26 0.14 105.19 106.18 2a5m n GLY 105 Ca -0.05 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 2a5m n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 106 N 0.00 4.24 -0.00 1.61 2.00 -1.26 -4.67 119.66 121.58 2a5m s GLN 106 Ca 0.00 1.58 0.06 0.00 -2.00 0.00 0.00 55.36 55.00 2a5m s GLN 106 Cb 0.00 -2.66 -0.03 0.00 0.80 0.00 0.00 33.01 31.12 2a5m s GLN 106 CO 0.00 -0.09 -0.18 1.41 -0.50 0.00 0.00 175.29 175.93 2a5m s MET 107 N -2.29 2.22 -0.03 1.67 -2.45 -1.26 -1.33 119.30 115.82 2a5m s MET 107 Ca 0.55 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 2a5m s MET 107 Cb -0.24 -2.22 0.00 0.00 1.25 0.00 0.00 34.83 33.62 2a5m s MET 107 CO 0.30 0.57 -0.10 0.71 1.05 0.00 0.00 175.02 177.55 2a5m s TYR 108 N -0.80 1.08 -0.07 4.11 2.02 -0.72 -4.97 117.35 117.99 2a5m s TYR 108 Ca 0.13 -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 40.69 2a5m s TYR 108 CO 0.02 -0.11 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.65 2a5m s GLU 109 N 0.18 2.62 0.01 -0.62 -6.30 -1.26 -1.26 118.70 112.07 2a5m s GLU 109 Ca -0.03 -0.88 -0.14 0.00 -2.50 0.00 0.00 54.97 51.41 2a5m s GLU 109 Cb -0.09 -2.16 0.02 0.00 0.00 0.00 0.00 34.13 31.90 2a5m s GLU 109 CO 0.01 0.33 0.30 -0.08 0.02 0.00 0.00 175.26 175.84 2a5m s THR 110 N -0.04 0.07 -1.03 -1.70 -1.32 -0.59 -5.00 115.64 106.03 2a5m s THR 110 Ca -0.07 -0.57 0.12 0.00 -1.21 0.00 0.00 61.69 59.96 2a5m s THR 110 Cb -0.15 -0.75 0.36 0.00 -1.51 0.00 0.00 72.50 70.45 2a5m s THR 110 CO 0.05 -0.31 1.30 0.35 -2.21 0.00 0.00 174.62 173.79 2a5m n THR 111 N 0.97 1.06 -4.50 5.08 -2.24 -1.26 -1.77 114.28 111.61 2a5m n THR 111 Ca -0.20 -1.03 -0.25 0.00 -2.27 0.00 0.00 64.05 60.30 2a5m n THR 111 Cb 0.57 0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.08 1.74 0.71 -0.78 8.01 -1.26 -4.91 118.70 121.13 2a5m s GLU 112 Ca 0.27 -1.86 -0.14 0.00 0.01 0.00 0.00 54.97 53.25 2a5m s GLU 112 Cb 0.15 -1.67 0.03 0.00 -4.31 0.00 0.00 34.13 28.32 2a5m s GLU 112 CO 0.18 0.20 1.15 0.16 0.01 0.00 0.00 175.26 176.96 2a5m s ASP 113 N -3.55 4.55 -0.24 -0.19 1.47 -1.26 -4.94 116.67 112.50 2a5m s ASP 113 Ca 0.31 2.15 0.02 0.00 1.18 0.00 0.00 52.55 56.21 2a5m s ASP 113 Cb -0.00 -2.57 0.06 0.00 -0.34 0.00 0.00 42.92 40.07 2a5m s ASP 113 CO 0.15 -2.01 -0.09 0.00 0.68 0.00 0.00 175.17 173.90 2a5m h PRO 115 N 7.86 0.29 -2.95 0.00 0.13 -1.90 -2.36 132.00 133.08 2a5m h PRO 115 Ca -0.20 -0.35 -0.47 0.00 -0.87 0.00 0.00 66.00 64.11 2a5m h PRO 115 Cb 1.06 0.11 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 2a5m h PRO 115 CO 0.45 1.07 -0.75 -1.12 -0.23 0.00 0.00 178.00 177.42 2a5m s SER 116 N -7.03 2.55 0.22 1.44 0.01 -1.26 -2.05 113.70 107.58 2a5m s SER 116 Ca -0.04 -0.75 -0.07 0.00 1.31 0.00 0.00 55.95 56.40 2a5m s SER 116 Cb 0.09 -0.22 0.19 0.00 0.21 0.00 0.00 66.02 66.29 2a5m s SER 116 CO 0.85 -0.37 1.76 0.40 0.41 0.00 0.00 173.24 176.29 2a5m h ILE 117 N 6.41 1.26 -0.46 1.44 2.04 -1.41 -1.95 117.51 124.85 2a5m h ILE 117 Ca -0.16 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 64.70 2a5m h ILE 117 Cb 1.12 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2a5m h ILE 117 CO 0.32 0.35 -0.10 -0.03 0.00 0.00 0.00 178.15 178.69 2a5m h MET 118 N 1.06 0.82 -0.32 2.37 4.05 -1.80 0.35 114.93 121.47 2a5m h MET 118 Ca 0.23 -0.28 -0.17 0.00 -0.28 0.00 0.00 59.70 59.21 2a5m h MET 118 Cb 0.31 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2a5m h MET 118 CO -0.01 0.89 -0.46 1.49 0.23 0.00 0.00 176.91 179.06 2a5m h GLU 119 N 0.75 0.84 0.06 0.39 4.81 -1.84 0.12 114.58 119.72 2a5m h GLU 119 Ca 0.13 -0.48 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 2a5m h GLU 119 Cb 0.60 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.02 2a5m h GLU 119 CO 0.04 1.12 -0.40 0.37 -0.73 0.00 0.00 179.01 179.41 2a5m h GLN 120 N 0.67 0.13 -0.01 1.92 4.15 -1.13 -3.39 115.11 117.45 2a5m h GLN 120 Ca 0.04 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2a5m h GLN 120 Cb 1.04 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2a5m h GLN 120 CO 0.10 1.11 -0.05 1.19 -1.93 0.00 0.00 178.83 179.25 2a5m n PHE 121 N -4.38 0.00 -2.85 3.99 3.72 0.12 -4.99 117.46 113.07 2a5m n PHE 121 Ca -0.12 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 2a5m n PHE 121 Cb 0.64 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.36 -1.65 -4.90 1.38 8.25 0.42 -4.96 115.22 114.12 2a5m n HIS 122 Ca 0.05 0.40 -0.33 0.00 -0.26 0.00 0.00 57.72 57.59 2a5m n HIS 122 Cb 0.24 -4.15 -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 -6.05 2.64 0.19 2.41 1.43 -1.25 -4.96 118.68 113.10 2a5m s LEU 123 Ca 0.23 -0.29 0.21 0.00 -1.03 0.00 0.00 54.13 53.26 2a5m s LEU 123 Cb -0.10 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2a5m s LEU 123 CO 0.29 0.26 1.03 0.08 0.23 0.00 0.00 176.35 178.24 2a5m h ARG 124 N 5.97 0.00 -3.81 1.70 0.11 -1.93 -3.18 114.38 113.25 2a5m h ARG 124 Ca -0.36 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.63 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 0.06 -0.29 -1.21 0.10 0.00 0.00 179.97 179.16 2a5m s GLU 125 N -3.27 1.14 -0.09 0.08 2.02 -1.26 -4.61 118.70 112.70 2a5m s GLU 125 Ca -0.01 -1.11 0.01 0.00 0.02 0.00 0.00 54.97 53.89 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 0.79 -0.42 -0.11 0.42 0.02 0.00 0.00 175.26 175.96 2a5m s ILE 126 N -3.94 1.14 -0.37 -1.63 -1.09 -0.92 -4.93 121.20 109.45 2a5m s ILE 126 Ca 0.15 -0.42 0.11 0.00 -2.23 0.00 0.00 60.65 58.26 2a5m s ILE 126 Cb 0.03 -1.09 -0.14 0.00 -1.58 0.00 0.00 42.46 39.68 2a5m s ILE 126 CO -0.02 0.37 0.41 1.41 -1.23 0.00 0.00 174.94 175.88 2a5m n HIS 127 N 4.37 0.00 -3.50 3.97 8.25 -1.26 -4.63 115.22 122.43 2a5m n HIS 127 Ca -0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 2a5m n HIS 127 Cb 0.51 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.48 -0.63 -0.21 0.41 0.15 -1.25 -3.09 113.70 106.59 2a5m s SER 128 Ca 0.02 0.55 -0.28 0.00 0.70 0.00 0.00 55.95 56.94 2a5m s SER 128 Cb 0.08 0.55 0.12 0.00 -1.71 0.00 0.00 66.02 65.06 2a5m s SER 128 CO 0.47 -0.69 0.98 0.00 1.20 0.00 0.00 173.24 175.20 2a5m s LYS 130 N -0.46 1.70 -0.14 0.00 2.20 -0.64 -3.60 119.74 118.80 2a5m s LYS 130 Ca -0.00 -1.52 -0.04 0.00 -0.36 0.00 0.00 55.97 54.05 2a5m s LYS 130 Cb -0.03 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2a5m s LYS 130 CO -0.01 -0.77 -0.01 0.14 -0.36 0.00 0.00 175.35 174.33 2a5m s VAL 131 N 1.09 4.15 -0.46 4.02 -7.23 -1.26 -3.44 120.40 117.27 2a5m s VAL 131 Ca 0.02 -0.28 0.03 0.00 -1.81 0.00 0.00 61.98 59.94 2a5m s VAL 131 Cb -0.19 -2.81 0.13 0.00 0.56 0.00 0.00 36.38 34.07 2a5m s VAL 131 CO -0.08 0.52 0.23 -0.69 -0.31 0.00 0.00 175.10 174.77 2a5m s VAL 132 N 0.03 1.83 0.01 1.32 1.01 -1.26 -4.30 120.40 119.04 2a5m s VAL 132 Ca 0.02 -2.78 0.00 0.00 0.00 0.00 0.00 61.98 59.22 2a5m s VAL 132 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2a5m s VAL 132 CO 0.02 -0.84 0.00 1.21 0.00 0.00 0.00 175.10 175.49 2a5m n GLU 133 N 3.46 0.00 0.00 2.72 2.13 -1.26 -4.74 120.64 122.94 2a5m n GLU 133 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 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 0.49 3.74 2.79 8.31 0.00 -1.26 -4.72 105.19 114.54 2a5m n GLY 134 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 1.08 0.01 2.61 -4.23 -1.26 -3.89 115.64 109.97 2a5m s THR 135 Ca 0.00 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 2a5m s THR 135 Cb 0.00 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 2a5m s THR 135 CO 0.00 -0.57 -0.14 0.26 -0.54 0.00 0.00 174.62 173.63 2a5m s TRP 136 N 1.53 1.25 -0.08 3.99 0.52 -0.87 -2.29 118.94 122.99 2a5m s TRP 136 Ca 0.07 -0.28 0.04 0.00 0.02 0.00 0.00 56.10 55.95 2a5m s TRP 136 Cb -0.18 -0.78 -0.01 0.00 -1.15 0.00 0.00 33.47 31.36 2a5m s TRP 136 CO -0.20 0.00 -0.22 0.42 0.02 0.00 0.00 176.95 176.98 2a5m s ILE 137 N -0.53 2.33 -0.05 2.03 1.01 -0.41 -0.37 121.20 125.22 2a5m s ILE 137 Ca 0.04 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2a5m s ILE 137 Cb -0.06 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2a5m s ILE 137 CO 0.00 0.56 -0.07 -0.36 0.00 0.00 0.00 174.94 175.07 2a5m s PHE 138 N 0.01 2.91 0.02 3.97 0.40 -0.31 -0.98 117.98 124.01 2a5m s PHE 138 Ca -0.08 -0.00 0.08 0.00 -0.60 0.00 0.00 56.93 56.33 2a5m s PHE 138 Cb -0.15 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 2a5m s PHE 138 CO 0.05 0.34 -0.23 0.71 0.70 0.00 0.00 175.22 176.79 2a5m s TYR 139 N -0.86 2.00 0.23 0.36 1.51 0.14 -0.54 117.35 120.19 2a5m s TYR 139 Ca 0.14 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.89 2a5m s TYR 139 Cb -0.11 -1.23 0.19 0.00 -0.11 0.00 0.00 41.96 40.70 2a5m s TYR 139 CO 0.03 0.05 1.52 1.49 -1.11 0.00 0.00 175.55 177.53 2a5m h GLU 140 N 5.15 0.05 -6.46 -0.62 4.81 -1.39 -1.43 114.58 114.69 2a5m h GLU 140 Ca -0.42 -0.05 -0.63 0.00 -0.13 0.00 0.00 59.36 58.13 2a5m h GLU 140 Cb 1.14 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 2a5m h GLU 140 CO 0.45 0.75 -0.74 -0.51 -0.73 0.00 0.00 179.01 178.23 2a5m s LEU 141 N -7.46 2.84 1.11 1.64 1.43 -0.36 -3.27 118.68 114.61 2a5m s LEU 141 Ca -0.01 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 2a5m s LEU 141 Cb 0.12 -1.53 0.18 0.00 0.03 0.00 0.00 46.19 44.99 2a5m s LEU 141 CO 0.79 0.10 0.60 -0.81 0.23 0.00 0.00 176.35 177.26 2a5m n PRO 142 N 0.02 -1.72 -2.52 1.29 -0.04 -1.26 -2.56 135.00 128.21 2a5m n PRO 142 Ca -0.11 -0.47 -0.20 0.00 -0.04 0.00 0.00 63.50 62.68 2a5m n PRO 142 Cb 0.56 -1.99 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 -3.32 -5.76 -3.49 3.54 5.15 -0.87 -2.81 115.26 107.69 2a5m n ASN 143 Ca 0.04 -0.05 -0.19 0.00 -0.60 0.00 0.00 54.58 53.78 2a5m n ASN 143 Cb 0.57 -4.78 0.07 0.00 -0.53 0.00 0.00 39.78 35.11 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 -4.04 -2.14 -4.41 1.20 4.01 -1.23 -5.02 117.16 105.53 2a5m n TYR 144 Ca -0.21 0.88 -0.21 0.00 -0.16 0.00 0.00 57.90 58.20 2a5m n TYR 144 Cb 0.67 -4.68 -0.10 0.00 -0.31 0.00 0.00 39.34 34.92 2a5m n TYR 144 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2a5m s ARG 145 N -5.43 1.52 0.86 -0.72 1.81 -1.06 -5.03 118.95 110.90 2a5m s ARG 145 Ca 0.09 -1.77 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 0.76 0.00 0.00 0.41 -0.68 0.00 0.00 175.30 175.79 2a5m n GLY 146 N -0.56 -1.81 3.77 -3.53 0.00 -1.26 -1.23 105.19 100.57 2a5m n GLY 146 Ca -0.05 -1.65 -0.39 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 4.23 0.09 1.61 3.52 -1.26 -4.73 118.95 122.40 2a5m s ARG 147 Ca 0.00 1.98 0.07 0.00 -0.13 0.00 0.00 55.73 57.66 2a5m s ARG 147 Cb 0.00 -2.89 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2a5m s ARG 147 CO 0.00 -0.22 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.50 2a5m s GLN 148 N -2.00 2.07 -0.06 5.12 -0.21 -1.25 -1.69 119.66 121.65 2a5m s GLN 148 Ca 0.53 -1.03 0.05 0.00 0.02 0.00 0.00 55.36 54.92 2a5m s GLN 148 Cb -0.34 -2.26 -0.00 0.00 1.00 0.00 0.00 33.01 31.40 2a5m s GLN 148 CO 0.44 0.51 -0.20 0.71 -2.12 0.00 0.00 175.29 174.63 2a5m s TYR 149 N -1.15 2.06 -0.26 0.91 1.51 0.30 -4.46 117.35 116.26 2a5m s TYR 149 Ca 0.19 -0.66 -0.15 0.00 -1.01 0.00 0.00 57.07 55.44 2a5m s TYR 149 Cb -0.11 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2a5m s TYR 149 CO 0.11 -0.24 0.39 -1.17 -1.11 0.00 0.00 175.55 173.54 2a5m s LEU 150 N 0.09 4.05 -0.11 -1.29 2.96 -1.26 -1.16 118.68 121.95 2a5m s LEU 150 Ca -0.07 0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 54.08 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 -0.18 0.19 -0.76 -1.32 0.00 0.00 176.35 174.32 2a5m s LEU 151 N 2.02 4.38 0.00 -0.68 1.02 0.50 -4.97 118.68 120.95 2a5m s LEU 151 Ca 0.16 0.53 0.02 0.00 0.02 0.00 0.00 54.13 54.86 2a5m s LEU 151 Cb -0.16 -2.17 0.02 0.00 0.02 0.00 0.00 46.19 43.91 2a5m s LEU 151 CO 0.10 0.36 0.19 0.47 0.02 0.00 0.00 176.35 177.48 2a5m n ASP 152 N 2.17 1.52 -1.74 2.29 9.92 -1.26 -2.05 116.55 127.40 2a5m n ASP 152 Ca -0.18 -1.71 -0.00 0.00 -0.53 0.00 0.00 54.79 52.36 2a5m n ASP 152 Cb 0.54 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.97 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 -1.09 0.62 -4.05 -1.24 2.85 -1.25 -4.61 118.16 109.39 2a5m n LYS 153 Ca 0.00 -0.04 -0.23 0.00 -1.05 0.00 0.00 58.31 56.99 2a5m n LYS 153 Cb 0.24 -1.25 -0.06 0.00 -0.65 0.00 0.00 35.03 33.31 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 0.90 2.32 -0.22 -1.58 1.02 -1.26 -4.91 119.74 116.00 2a5m s LYS 154 Ca 0.02 -1.68 -0.07 0.00 0.02 0.00 0.00 55.97 54.26 2a5m s LYS 154 Cb 0.01 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2a5m s LYS 154 CO 0.00 -0.02 0.07 -2.00 -0.92 0.00 0.00 175.35 172.48 2a5m s GLU 155 N -3.90 3.79 -0.36 1.68 2.12 -1.26 -4.43 118.70 116.34 2a5m s GLU 155 Ca 0.40 -0.42 -0.14 0.00 0.36 0.00 0.00 54.97 55.17 2a5m s GLU 155 Cb 0.00 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2a5m s GLU 155 CO 0.23 0.00 0.27 0.71 -0.54 0.00 0.00 175.26 175.94 2a5m s TYR 156 N 1.11 3.23 -0.12 5.30 2.02 -1.24 -4.94 117.35 122.72 2a5m s TYR 156 Ca 0.04 -0.27 0.17 0.00 -0.37 0.00 0.00 57.07 56.65 2a5m s TYR 156 Cb -0.14 -2.54 -0.18 0.00 -0.40 0.00 0.00 41.96 38.70 2a5m s TYR 156 CO 0.03 -0.43 0.64 2.89 -1.57 0.00 0.00 175.55 177.12 2a5m n ARG 157 N 5.17 0.64 -4.35 -0.62 1.85 -1.26 -3.58 116.66 114.50 2a5m n ARG 157 Ca -0.12 0.14 -0.23 0.00 -1.00 0.00 0.00 57.85 56.64 2a5m n ARG 157 Cb 0.49 -1.73 -0.11 0.00 -1.05 0.00 0.00 32.46 30.06 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 -2.89 1.33 0.21 2.89 1.02 -1.26 -1.00 119.74 120.05 2a5m s LYS 158 Ca -0.05 -1.42 -0.09 0.00 0.02 0.00 0.00 55.97 54.44 2a5m s LYS 158 Cb 0.09 -1.48 0.17 0.00 -0.52 0.00 0.00 37.83 36.09 2a5m s LYS 158 CO 0.83 0.31 1.83 -1.00 -0.92 0.00 0.00 175.35 176.40 2a5m h PRO 159 N 3.31 1.12 0.00 -1.68 0.13 -1.89 -1.11 132.00 131.89 2a5m h PRO 159 Ca -0.44 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2a5m h PRO 159 Cb 1.20 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2a5m h PRO 159 CO 0.49 0.83 0.00 0.28 -0.23 0.00 0.00 178.00 179.37 2a5m h VAL 160 N 1.12 0.00 0.00 1.56 2.07 -1.91 -1.78 116.25 117.30 2a5m h VAL 160 Ca 0.28 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2a5m h VAL 160 Cb 0.04 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2a5m h VAL 160 CO -0.04 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.77 2a5m h ASP 161 N 0.00 0.00 -0.60 0.57 1.82 -1.50 -1.99 116.42 114.72 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2a5m h ASP 161 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.05 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -1.61 0.00 0.00 179.24 174.96 2a5m n TRP 162 N -2.83 1.46 -0.71 0.28 2.14 -0.67 -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 58.93 2a5m n TRP 162 Cb 0.18 -0.27 0.00 0.00 -0.81 0.00 0.00 31.31 30.41 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 3.85 -1.67 0.00 -0.75 -4.74 105.19 103.46 2a5m n GLY 163 Ca 0.25 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.45 4.61 0.00 -1.25 -4.98 121.76 120.49 2a5m s ALA 164 Ca 0.00 -0.70 0.28 0.00 0.00 0.00 0.00 51.96 51.55 2a5m s ALA 164 Cb 0.00 -1.87 1.13 0.00 0.00 0.00 0.00 23.12 22.38 2a5m s ALA 164 CO 0.00 0.64 1.81 0.00 0.00 0.00 0.00 175.76 178.22 2a5m n ALA 165 N 1.77 2.79 -2.99 0.00 0.00 -1.26 -3.90 120.51 116.91 2a5m n ALA 165 Ca -0.18 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2a5m n ALA 165 Cb 0.54 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 2a5m n ALA 165 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2a5m s SER 166 N -2.63 0.16 0.00 0.00 0.01 -1.26 -5.00 113.70 104.98 2a5m s SER 166 Ca 0.24 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2a5m s SER 166 Cb 0.20 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2a5m s SER 166 CO 0.51 -0.35 0.51 -0.81 0.41 0.00 0.00 173.24 173.51 2a5m n PRO 167 N 1.45 0.75 -2.75 12.44 -0.04 -1.26 -4.81 135.00 140.78 2a5m n PRO 167 Ca -0.23 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 2a5m n PRO 167 Cb 0.56 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.35 3.64 -0.15 0.55 0.00 -1.26 -2.16 121.76 121.03 2a5m s ALA 168 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 2a5m s ALA 168 Cb 0.00 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.75 2a5m s ALA 168 CO 0.00 -0.94 0.33 0.42 0.00 0.00 0.00 175.76 175.57 2a5m s ILE 169 N 2.90 -0.32 -0.26 0.00 1.01 -1.26 -4.71 121.20 118.56 2a5m s ILE 169 Ca 0.41 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.34 2a5m s ILE 169 Cb -0.15 -0.52 -0.11 0.00 0.01 0.00 0.00 42.46 41.69 2a5m s ILE 169 CO 0.08 0.08 0.30 0.00 0.00 0.00 0.00 174.94 175.40 2a5m n GLN 170 N 4.91 2.72 -3.52 2.79 1.13 -0.58 -4.37 117.38 120.46 2a5m n GLN 170 Ca -0.14 -0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 54.77 2a5m n GLN 170 Cb 0.51 -1.02 -0.03 0.00 0.11 0.00 0.00 30.24 29.81 2a5m n GLN 170 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2a5m s SER 171 N -2.26 -0.42 0.03 1.08 0.15 -0.99 -1.15 113.70 110.14 2a5m s SER 171 Ca 0.01 -0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.35 2a5m s SER 171 Cb 0.06 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 2a5m s SER 171 CO 0.36 -0.91 0.39 0.72 1.20 0.00 0.00 173.24 174.99 2a5m s PHE 172 N -3.73 -0.24 0.01 3.44 -0.12 -0.89 0.25 117.98 116.70 2a5m s PHE 172 Ca 0.02 0.24 -0.06 0.00 -0.05 0.00 0.00 56.93 57.08 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 0.11 1.03 -0.05 0.00 0.00 175.22 175.66 2a5m s ARG 173 N -2.18 0.46 0.14 1.99 0.52 -0.15 -1.68 118.95 118.04 2a5m s ARG 173 Ca -0.07 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 54.49 2a5m s ARG 173 Cb -0.02 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.57 2a5m s ARG 173 CO -0.00 -0.10 0.66 -0.98 0.02 0.00 0.00 175.30 174.89 2a5m s ARG 174 N -1.42 4.30 -0.15 3.54 1.70 -1.26 -1.28 118.95 124.38 2a5m s ARG 174 Ca -0.15 0.87 -0.15 0.00 -0.47 0.00 0.00 55.73 55.83 2a5m s ARG 174 Cb -0.08 -3.15 -0.04 0.00 -0.57 0.00 0.00 34.95 31.11 2a5m s ARG 174 CO 0.01 0.56 0.35 0.42 -1.08 0.00 0.00 175.30 175.56 2a5m s ILE 175 N -1.23 5.27 0.03 4.99 1.01 -0.97 -4.94 121.20 125.36 2a5m s ILE 175 Ca 0.34 0.67 0.02 0.00 0.00 0.00 0.00 60.65 61.68 2a5m s ILE 175 Cb -0.20 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2a5m s ILE 175 CO 0.22 0.36 -0.07 0.68 0.00 0.00 0.00 174.94 176.13 2a5m s VAL 176 N 0.59 0.46 -2.00 2.92 -7.23 -1.26 -4.87 120.40 109.01 2a5m s VAL 176 Ca 0.19 -0.86 0.29 0.00 -1.81 0.00 0.00 61.98 59.79 2a5m s VAL 176 Cb -0.14 -0.51 0.82 0.00 0.56 0.00 0.00 36.38 37.12 2a5m s VAL 176 CO 0.06 -0.28 2.07 1.21 -0.31 0.00 0.00 175.10 177.85