#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 0.52 0.00 1.43 4.76 -1.26 -4.85 118.16 118.76 2a5m n LYS 2 Ca 0.00 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2a5m n LYS 2 Cb 0.00 -2.54 0.00 0.00 -1.84 0.00 0.00 35.03 30.65 2a5m n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2a5m n THR 3 N 7.70 0.00 0.00 -0.18 -1.04 -1.26 -5.13 114.28 114.37 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 0.31 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 -1.57 3.81 3.41 0.00 -1.26 -5.15 105.19 109.42 2a5m n GLY 4 Ca 0.00 0.95 -0.34 0.00 0.00 0.00 0.00 46.02 46.63 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 2.49 -0.18 -0.02 0.00 -1.26 -4.70 107.32 103.65 2a5m s GLY 5 Ca 0.00 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.04 2a5m s GLY 5 CO 0.00 0.80 0.48 1.25 0.00 0.00 0.00 173.10 175.63 2a5m s LYS 6 N -2.99 0.54 0.01 2.90 2.20 -0.64 -4.63 119.74 117.13 2a5m s LYS 6 Ca 0.61 0.71 0.04 0.00 -0.36 0.00 0.00 55.97 56.97 2a5m s LYS 6 Cb -0.13 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2a5m s LYS 6 CO 0.17 -0.08 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.45 2a5m s ILE 7 N 0.48 1.00 -0.09 5.43 2.07 -1.01 -1.08 121.20 128.00 2a5m s ILE 7 Ca -0.02 -0.71 0.03 0.00 -1.41 0.00 0.00 60.65 58.54 2a5m s ILE 7 Cb -0.04 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.68 2a5m s ILE 7 CO -0.02 0.15 -0.21 -0.55 -1.91 0.00 0.00 174.94 172.40 2a5m s SER 8 N -0.64 2.75 -0.09 4.50 0.15 0.10 -1.77 113.70 118.70 2a5m s SER 8 Ca 0.03 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.18 2a5m s SER 8 Cb -0.06 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 2a5m s SER 8 CO 0.00 0.12 -0.03 -0.36 1.20 0.00 0.00 173.24 174.18 2a5m s PHE 9 N 0.44 3.07 -0.03 3.44 0.40 0.27 0.10 117.98 125.68 2a5m s PHE 9 Ca -0.17 0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.30 2a5m s PHE 9 Cb -0.17 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 2a5m s PHE 9 CO 0.07 0.35 -0.24 0.71 0.70 0.00 0.00 175.22 176.82 2a5m s TYR 10 N -0.67 2.17 0.32 0.36 1.51 0.10 -1.00 117.35 120.14 2a5m s TYR 10 Ca 0.10 -0.47 0.16 0.00 -1.01 0.00 0.00 57.07 55.86 2a5m s TYR 10 Cb -0.12 -1.40 0.79 0.00 -0.11 0.00 0.00 41.96 41.11 2a5m s TYR 10 CO 0.02 -0.08 1.82 0.93 -1.11 0.00 0.00 175.55 177.13 2a5m h GLU 11 N 5.68 0.00 -5.87 -0.62 5.08 -1.38 0.18 114.58 117.65 2a5m h GLU 11 Ca -0.39 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.39 2a5m h GLU 11 Cb 1.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2a5m h GLU 11 CO 0.47 0.36 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.82 2a5m s ASP 12 N -6.69 4.35 0.66 1.42 1.01 -0.48 -3.29 116.67 113.65 2a5m s ASP 12 Ca -0.02 -1.11 -0.12 0.00 0.71 0.00 0.00 52.55 52.01 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 0.70 -0.53 1.05 -0.13 0.21 0.00 0.00 175.17 176.47 2a5m s ARG 13 N -3.88 3.11 -1.08 8.23 0.52 -1.26 -3.61 118.95 120.98 2a5m s ARG 13 Ca 0.40 0.99 -0.03 0.00 -0.52 0.00 0.00 55.73 56.58 2a5m s ARG 13 Cb 0.05 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2a5m s ARG 13 CO 0.22 -0.96 0.37 -1.71 0.02 0.00 0.00 175.30 173.24 2a5m n ASN 14 N -2.81 -4.65 -3.97 0.23 4.05 0.23 -3.08 115.26 105.26 2a5m n ASN 14 Ca 0.08 -0.18 -0.29 0.00 0.45 0.00 0.00 54.58 54.64 2a5m n ASN 14 Cb 0.53 -3.54 -0.00 0.00 1.23 0.00 0.00 39.78 38.00 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 2a5m n PHE 15 N -4.10 -1.89 -4.16 1.20 1.16 -1.25 -4.98 117.46 103.44 2a5m n PHE 15 Ca -0.09 0.82 -0.24 0.00 -1.87 0.00 0.00 57.45 56.07 2a5m n PHE 15 Cb 0.59 -3.71 -0.07 0.00 -1.61 0.00 0.00 39.48 34.68 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2a5m s GLN 16 N -6.58 2.28 0.62 3.97 -0.21 -1.18 -5.01 119.66 113.55 2a5m s GLN 16 Ca 0.36 -1.64 0.00 0.00 0.02 0.00 0.00 55.36 54.11 2a5m s GLN 16 Cb -0.19 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2a5m s GLN 16 CO 0.87 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 174.54 2a5m n GLY 17 N -1.11 -1.86 3.77 3.09 0.00 -1.26 -1.38 105.19 106.43 2a5m n GLY 17 Ca -0.03 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 4.05 0.11 1.61 3.52 -1.26 -4.72 118.95 122.25 2a5m s ARG 18 Ca 0.00 1.94 0.10 0.00 -0.13 0.00 0.00 55.73 57.65 2a5m s ARG 18 Cb 0.00 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2a5m s ARG 18 CO 0.00 -0.36 -0.26 0.50 -0.81 0.00 0.00 175.30 174.38 2a5m s ARG 19 N -2.24 1.54 -0.07 5.12 3.52 -1.26 -1.56 118.95 124.00 2a5m s ARG 19 Ca 0.56 -1.27 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 2a5m s ARG 19 Cb -0.33 -1.94 0.02 0.00 -1.56 0.00 0.00 34.95 31.14 2a5m s ARG 19 CO 0.42 0.47 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.85 2a5m s TYR 20 N -1.01 1.07 -0.07 5.12 5.04 -0.17 -4.95 117.35 122.38 2a5m s TYR 20 Ca 0.14 -0.40 0.02 0.00 -2.44 0.00 0.00 57.07 54.40 2a5m s TYR 20 Cb -0.10 -0.91 -0.02 0.00 0.35 0.00 0.00 41.96 41.28 2a5m s TYR 20 CO 0.06 -0.30 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.32 2a5m s ASP 21 N 1.18 4.09 -0.01 4.32 1.11 -1.26 -0.57 116.67 125.54 2a5m s ASP 21 Ca -0.06 -0.21 0.03 0.00 0.18 0.00 0.00 52.55 52.49 2a5m s ASP 21 Cb -0.14 -1.06 -0.01 0.00 1.07 0.00 0.00 42.92 42.78 2a5m s ASP 21 CO -0.02 0.31 -0.10 0.00 1.18 0.00 0.00 175.17 176.54 2a5m n ASP 23 N 2.86 2.51 -3.42 0.00 8.00 -1.26 -2.42 116.55 122.83 2a5m n ASP 23 Ca -0.14 -2.21 -0.09 0.00 0.71 0.00 0.00 54.79 53.07 2a5m n ASP 23 Cb 0.56 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a5m s ASP 25 N -3.02 5.68 -0.14 0.00 1.11 -1.26 -4.78 116.67 114.26 2a5m s ASP 25 Ca 0.16 2.77 -0.01 0.00 0.18 0.00 0.00 52.55 55.65 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 -1.29 -0.03 0.00 1.18 0.00 0.00 175.17 175.13 2a5m h ALA 27 N 8.20 0.94 -1.24 0.00 0.00 -1.88 -2.30 119.26 122.97 2a5m h ALA 27 Ca -0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2a5m h ALA 27 Cb 1.12 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 2a5m h ALA 27 CO 0.36 0.17 -0.42 0.34 0.00 0.00 0.00 179.25 179.70 2a5m s ASP 28 N -6.15 -0.94 0.00 0.00 2.15 -1.25 -2.22 116.67 108.26 2a5m s ASP 28 Ca 0.04 0.10 0.17 0.00 0.43 0.00 0.00 52.55 53.29 2a5m s ASP 28 Cb 0.07 1.74 0.49 0.00 -0.30 0.00 0.00 42.92 44.92 2a5m s ASP 28 CO 0.65 -0.31 1.41 2.22 -0.17 0.00 0.00 175.17 178.97 2a5m n PHE 29 N 5.40 0.74 0.31 -5.34 -1.74 -1.09 -4.51 117.46 111.23 2a5m n PHE 29 Ca 0.03 -0.50 0.18 0.00 -0.56 0.00 0.00 57.45 56.60 2a5m n PHE 29 Cb 0.52 -0.01 1.02 0.00 1.52 0.00 0.00 39.48 42.53 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 3.25 0.00 0.00 3.97 3.08 -1.77 -0.88 114.38 122.03 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 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 -3.14 113.55 120.11 2a5m h SER 31 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2a5m h SER 31 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2a5m h SER 31 CO -0.00 0.00 -1.91 -1.22 -0.87 0.00 0.00 176.83 172.83 2a5m n TYR 32 N -2.57 0.00 -3.70 4.77 4.01 -0.39 -4.94 117.16 114.34 2a5m n TYR 32 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 2a5m n TYR 32 Cb 0.38 -0.48 -0.11 0.00 -0.31 0.00 0.00 39.34 38.82 2a5m n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2a5m s LEU 33 N -4.43 -0.03 0.00 7.72 2.96 -0.87 -4.84 118.68 119.18 2a5m s LEU 33 Ca -0.07 0.82 0.27 0.00 -0.22 0.00 0.00 54.13 54.92 2a5m s LEU 33 Cb 0.11 1.21 0.79 0.00 0.50 0.00 0.00 46.19 48.81 2a5m s LEU 33 CO 0.79 -0.19 1.61 -0.24 -1.32 0.00 0.00 176.35 177.00 2a5m n SER 34 N 4.34 0.33 -3.57 3.68 2.88 -1.26 -4.18 113.62 115.85 2a5m n SER 34 Ca -0.23 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.26 2a5m n SER 34 Cb 0.54 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2a5m n SER 34 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2a5m s ARG 35 N -2.98 0.65 -0.13 -1.46 3.52 -1.26 -4.97 118.95 112.31 2a5m s ARG 35 Ca 0.13 -0.26 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 2a5m s ARG 35 Cb 0.18 0.28 0.06 0.00 -1.56 0.00 0.00 34.95 33.91 2a5m s ARG 35 CO 0.63 -0.29 0.11 0.00 -0.81 0.00 0.00 175.30 174.95 2a5m n ASN 37 N 5.30 1.71 -3.64 0.00 4.05 0.61 -4.52 115.26 118.76 2a5m n ASN 37 Ca -0.06 -1.35 -0.14 0.00 0.45 0.00 0.00 54.58 53.48 2a5m n ASN 37 Cb 0.49 0.34 -0.06 0.00 1.23 0.00 0.00 39.78 41.78 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2a5m s SER 38 N -1.59 -0.35 -0.02 1.20 0.15 -0.99 0.12 113.70 112.22 2a5m s SER 38 Ca 0.13 0.14 -0.09 0.00 0.70 0.00 0.00 55.95 56.83 2a5m s SER 38 Cb 0.12 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.88 2a5m s SER 38 CO 0.31 -0.64 0.20 -0.63 1.20 0.00 0.00 173.24 173.68 2a5m s ILE 39 N -2.15 0.06 -0.11 6.45 1.01 -0.77 0.02 121.20 125.71 2a5m s ILE 39 Ca -0.07 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2a5m s ILE 39 Cb -0.01 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.01 2a5m s ILE 39 CO 0.00 -0.26 -0.16 -0.60 0.00 0.00 0.00 174.94 173.92 2a5m s ARG 40 N -1.03 2.25 -0.32 2.79 3.52 0.12 -0.92 118.95 125.35 2a5m s ARG 40 Ca -0.11 -0.57 -0.09 0.00 -0.13 0.00 0.00 55.73 54.82 2a5m s ARG 40 Cb -0.06 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 2a5m s ARG 40 CO 0.02 -0.05 0.15 0.08 -0.81 0.00 0.00 175.30 174.69 2a5m s VAL 41 N 0.95 4.47 0.02 7.11 1.01 0.13 0.01 120.40 134.09 2a5m s VAL 41 Ca -0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2a5m s VAL 41 Cb -0.15 -3.34 -0.26 0.00 0.00 0.00 0.00 36.38 32.63 2a5m s VAL 41 CO -0.01 -0.01 0.90 -0.33 0.00 0.00 0.00 175.10 175.65 2a5m h GLU 42 N 8.35 0.20 -1.91 2.72 5.08 -1.34 -1.35 114.58 126.33 2a5m h GLU 42 Ca -0.30 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 57.69 2a5m h GLU 42 Cb 1.13 0.13 -0.20 0.00 0.50 0.00 0.00 28.75 30.31 2a5m h GLU 42 CO 0.62 1.05 0.26 0.20 -1.00 0.00 0.00 179.01 180.14 2a5m s GLY 43 N -4.93 -0.51 0.00 -3.84 0.00 -1.14 -4.82 107.32 92.07 2a5m s GLY 43 Ca -0.07 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.14 2a5m s GLY 43 CO 0.85 1.01 0.00 0.61 0.00 0.00 0.00 173.10 175.57 2a5m n GLY 44 N 0.95 -1.17 3.28 0.20 0.00 -1.26 -1.63 105.19 105.56 2a5m n GLY 44 Ca -0.17 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.63 1.98 0.14 2.61 2.01 -1.26 -2.84 115.64 116.65 2a5m s THR 45 Ca 0.00 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.02 2a5m s THR 45 Cb 0.00 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2a5m s THR 45 CO 0.00 0.56 -0.16 0.26 -0.69 0.00 0.00 174.62 174.58 2a5m s TRP 46 N -0.40 1.60 -0.14 4.92 0.52 -0.69 0.79 118.94 125.54 2a5m s TRP 46 Ca 0.04 -0.51 -0.04 0.00 0.02 0.00 0.00 56.10 55.62 2a5m s TRP 46 Cb -0.11 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.35 2a5m s TRP 46 CO 0.01 0.22 -0.00 0.00 0.02 0.00 0.00 176.95 177.20 2a5m s ALA 47 N -2.00 3.18 -0.01 0.98 0.00 0.65 -0.09 121.76 124.48 2a5m s ALA 47 Ca 0.11 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2a5m s ALA 47 Cb -0.06 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2a5m s ALA 47 CO 0.05 0.34 -0.19 0.14 0.00 0.00 0.00 175.76 176.10 2a5m s VAL 48 N -0.09 2.68 -0.00 0.00 -7.23 -0.15 -0.87 120.40 114.74 2a5m s VAL 48 Ca 0.04 -1.01 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2a5m s VAL 48 Cb -0.13 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 2a5m s VAL 48 CO 0.02 0.49 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.74 2a5m s TYR 49 N -0.78 2.36 0.34 2.82 1.51 0.16 -1.96 117.35 121.81 2a5m s TYR 49 Ca 0.12 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2a5m s TYR 49 Cb -0.10 -1.48 0.61 0.00 -0.11 0.00 0.00 41.96 40.88 2a5m s TYR 49 CO 0.02 0.03 1.87 1.49 -1.11 0.00 0.00 175.55 177.85 2a5m h GLU 50 N 5.26 0.48 -5.98 -0.62 4.57 -1.44 -0.88 114.58 115.97 2a5m h GLU 50 Ca -0.44 -0.11 -0.54 0.00 -1.18 0.00 0.00 59.36 57.09 2a5m h GLU 50 Cb 1.13 -0.07 -0.17 0.00 -0.16 0.00 0.00 28.75 29.48 2a5m h GLU 50 CO 0.46 0.54 -0.77 1.03 -1.18 0.00 0.00 179.01 179.09 2a5m s ARG 51 N -4.90 1.36 1.05 1.92 0.52 -0.61 -2.78 118.95 115.52 2a5m s ARG 51 Ca -0.07 -1.50 -0.16 0.00 -0.52 0.00 0.00 55.73 53.48 2a5m s ARG 51 Cb 0.15 -1.41 0.08 0.00 0.52 0.00 0.00 34.95 34.30 2a5m s ARG 51 CO 0.76 0.28 0.20 -0.35 0.02 0.00 0.00 175.30 176.21 2a5m n PRO 52 N 0.05 -1.09 -3.07 3.54 -0.04 -1.26 -2.75 135.00 130.38 2a5m n PRO 52 Ca -0.11 -0.29 -0.17 0.00 -0.04 0.00 0.00 63.50 62.88 2a5m n PRO 52 Cb 0.58 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.63 -5.17 -4.07 3.54 5.03 -0.94 -3.17 115.26 108.85 2a5m n ASN 53 Ca 0.03 -0.31 -0.28 0.00 0.87 0.00 0.00 54.58 54.89 2a5m n ASN 53 Cb 0.59 -3.90 -0.04 0.00 -1.02 0.00 0.00 39.78 35.41 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2a5m n PHE 54 N -4.30 -1.52 -4.40 3.10 3.72 -1.25 -4.96 117.46 107.86 2a5m n PHE 54 Ca -0.04 0.66 -0.20 0.00 -0.05 0.00 0.00 57.45 57.81 2a5m n PHE 54 Cb 0.57 -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 -1.54 -0.05 0.00 0.00 176.76 175.17 2a5m s SER 55 N -4.30 2.54 0.00 4.37 1.04 -1.11 -5.04 113.70 111.20 2a5m s SER 55 Ca 0.04 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2a5m s SER 55 Cb -0.02 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2a5m s SER 55 CO 0.93 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.39 2a5m n GLY 56 N -0.53 -1.74 3.76 7.32 0.00 -1.26 -1.57 105.19 111.17 2a5m n GLY 56 Ca -0.06 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 2a5m n GLY 56 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a5m s HIS 57 N 0.00 2.55 -0.08 1.61 5.65 -1.26 -4.68 115.29 119.08 2a5m s HIS 57 Ca 0.00 1.32 0.03 0.00 0.25 0.00 0.00 55.06 56.66 2a5m s HIS 57 Cb 0.00 -3.82 -0.02 0.00 -1.18 0.00 0.00 32.58 27.56 2a5m s HIS 57 CO 0.00 -2.66 -0.18 -1.64 -0.65 0.00 0.00 174.74 169.62 2a5m s MET 58 N -2.45 2.84 -0.02 2.88 1.00 -1.26 -2.07 119.30 120.22 2a5m s MET 58 Ca 0.61 -0.77 0.01 0.00 0.00 0.00 0.00 55.69 55.54 2a5m s MET 58 Cb -0.41 -2.39 0.01 0.00 0.00 0.00 0.00 34.83 32.04 2a5m s MET 58 CO 0.53 0.38 -0.04 0.71 0.00 0.00 0.00 175.02 176.60 2a5m s TYR 59 N -0.13 0.50 -0.15 -0.03 2.02 -0.83 -3.69 117.35 115.05 2a5m s TYR 59 Ca -0.03 -0.10 -0.13 0.00 -0.37 0.00 0.00 57.07 56.45 2a5m s TYR 59 Cb -0.14 -0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 40.96 2a5m s TYR 59 CO 0.04 -0.08 0.26 0.42 -1.57 0.00 0.00 175.55 174.61 2a5m s ILE 60 N 0.42 5.32 -0.24 2.71 -1.09 -1.26 -0.98 121.20 126.08 2a5m s ILE 60 Ca -0.05 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 58.87 2a5m s ILE 60 Cb -0.08 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 2a5m s ILE 60 CO -0.00 0.44 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.29 2a5m s LEU 61 N 0.16 2.86 0.91 2.97 1.43 0.87 -4.98 118.68 122.90 2a5m s LEU 61 Ca 0.16 -1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 51.94 2a5m s LEU 61 Cb -0.13 -1.36 0.14 0.00 0.03 0.00 0.00 46.19 44.88 2a5m s LEU 61 CO 0.04 -0.19 1.16 -2.16 0.23 0.00 0.00 176.35 175.43 2a5m s PRO 62 N 1.27 1.13 0.32 1.29 0.04 -1.26 -1.71 135.00 136.08 2a5m s PRO 62 Ca -0.06 0.17 -0.28 0.00 0.04 0.00 0.00 61.00 60.87 2a5m s PRO 62 Cb -0.19 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 2a5m s PRO 62 CO -0.06 -2.18 1.09 0.00 0.04 0.00 0.00 177.00 175.89 2a5m n GLN 63 N -3.73 1.59 -3.17 4.56 10.64 -1.13 -4.82 117.38 121.32 2a5m n GLN 63 Ca 0.08 0.56 0.00 0.00 -1.83 0.00 0.00 57.00 55.81 2a5m n GLN 63 Cb 0.60 -2.01 0.00 0.00 -0.86 0.00 0.00 30.24 27.96 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2a5m n GLY 64 N 1.08 -1.84 3.24 2.61 0.00 -0.51 -4.98 105.19 104.80 2a5m n GLY 64 Ca 0.08 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.84 3.07 -0.38 1.61 2.56 -1.26 0.19 118.70 122.65 2a5m s GLU 65 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 54.97 54.15 2a5m s GLU 65 Cb 0.00 -2.34 0.11 0.00 2.00 0.00 0.00 34.13 33.90 2a5m s GLU 65 CO 0.00 0.20 0.10 0.71 -0.56 0.00 0.00 175.26 175.71 2a5m s TYR 66 N 0.31 3.53 -1.45 5.30 2.02 -0.09 -4.98 117.35 121.98 2a5m s TYR 66 Ca -0.17 -2.98 0.18 0.00 -0.37 0.00 0.00 57.07 53.73 2a5m s TYR 66 Cb -0.17 -2.84 0.90 0.00 -0.40 0.00 0.00 41.96 39.45 2a5m s TYR 66 CO 0.08 -0.90 1.53 -0.35 -1.57 0.00 0.00 175.55 174.34 2a5m n PRO 67 N 4.03 0.26 -3.64 -1.71 -0.04 -1.26 -1.85 135.00 130.79 2a5m n PRO 67 Ca 0.04 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2a5m n PRO 67 Cb 0.40 -1.50 -0.06 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 -2.55 0.94 0.29 0.54 2.02 -1.26 0.75 118.70 119.42 2a5m s GLU 68 Ca 0.17 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 2a5m s GLU 68 Cb 0.12 0.42 0.41 0.00 0.10 0.00 0.00 34.13 35.18 2a5m s GLU 68 CO 0.27 -0.32 1.94 0.10 0.02 0.00 0.00 175.26 177.26 2a5m h TYR 69 N 3.02 1.04 -0.01 1.61 -0.00 -0.62 -1.21 116.97 120.80 2a5m h TYR 69 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.43 2a5m h TYR 69 Cb 1.20 -0.34 -0.00 0.00 -0.00 0.00 0.00 36.73 37.59 2a5m h TYR 69 CO 0.40 0.69 0.01 1.96 -0.00 0.00 0.00 178.16 181.22 2a5m h GLN 70 N 1.09 0.00 0.00 0.10 1.08 -1.86 0.32 115.11 115.84 2a5m h GLN 70 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 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 -0.06 0.00 0.00 -0.09 -0.95 0.00 0.00 178.83 177.73 2a5m h ARG 71 N 0.00 0.00 -0.50 1.46 9.65 -1.61 -1.25 114.38 122.13 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 -2.86 0.66 -1.76 2.20 -0.00 0.11 -4.93 117.44 110.86 2a5m n TRP 72 Ca 0.01 -0.49 -0.20 0.00 -0.00 0.00 0.00 57.50 56.83 2a5m n TRP 72 Cb 0.30 -0.02 -0.07 0.00 -0.00 0.00 0.00 31.31 31.52 2a5m n TRP 72 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 2a5m n MET 73 N 0.99 -1.50 -1.75 5.87 2.81 -0.47 -4.91 117.12 118.15 2a5m n MET 73 Ca 0.17 1.13 -0.40 0.00 -1.81 0.00 0.00 57.70 56.79 2a5m n MET 73 Cb 0.51 -5.56 0.02 0.00 -0.71 0.00 0.00 33.22 27.48 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 -0.50 0.87 0.09 3.03 0.00 -0.87 -4.88 105.19 102.92 2a5m n GLY 74 Ca -0.21 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 2.04 0.00 0.00 0.99 5.85 -1.91 -3.43 115.31 118.85 2a5m h LEU 75 Ca -0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2a5m h LEU 75 Cb 1.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2a5m h LEU 75 CO 0.60 0.85 0.02 -0.46 -0.34 0.00 0.00 178.44 179.10 2a5m n ASN 76 N -3.47 -0.27 -2.09 1.25 6.94 -1.26 -5.04 115.26 111.32 2a5m n ASN 76 Ca -0.00 -1.23 -0.18 0.00 -0.02 0.00 0.00 54.58 53.15 2a5m n ASN 76 Cb 0.83 0.46 0.20 0.00 -2.36 0.00 0.00 39.78 38.91 2a5m n ASN 76 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2a5m n ASP 77 N -1.38 3.93 -4.63 0.53 8.00 -1.26 -4.92 116.55 116.81 2a5m n ASP 77 Ca -0.01 -3.40 -0.38 0.00 0.71 0.00 0.00 54.79 51.71 2a5m n ASP 77 Cb 0.08 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.30 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2a5m s ARG 78 N -2.99 4.06 -0.10 -1.24 3.52 -1.26 -1.97 118.95 118.97 2a5m s ARG 78 Ca 0.52 -0.00 -0.04 0.00 -0.13 0.00 0.00 55.73 56.08 2a5m s ARG 78 Cb 0.44 -3.60 0.05 0.00 -1.56 0.00 0.00 34.95 30.28 2a5m s ARG 78 CO 0.11 -0.14 0.19 -0.51 -0.81 0.00 0.00 175.30 174.14 2a5m s LEU 79 N 1.64 -0.10 -0.01 -0.88 1.43 -1.24 -4.36 118.68 115.16 2a5m s LEU 79 Ca 0.14 0.40 0.11 0.00 -1.03 0.00 0.00 54.13 53.76 2a5m s LEU 79 Cb -0.15 0.40 -0.16 0.00 0.03 0.00 0.00 46.19 46.31 2a5m s LEU 79 CO 0.08 -0.24 0.32 0.61 0.23 0.00 0.00 176.35 177.36 2a5m n GLY 80 N 5.27 -0.36 3.35 -3.19 0.00 -0.34 -4.79 105.19 105.12 2a5m n GLY 80 Ca -0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.89 -0.34 -0.02 1.61 0.01 -1.18 -2.66 113.70 108.25 2a5m s SER 81 Ca -0.01 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.19 2a5m s SER 81 Cb 0.08 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2a5m s SER 81 CO 0.46 -0.73 0.14 0.00 0.41 0.00 0.00 173.24 173.53 2a5m s ARG 83 N -0.92 0.43 0.08 0.00 0.52 -0.05 -0.86 118.95 118.15 2a5m s ARG 83 Ca -0.10 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 2a5m s ARG 83 Cb -0.06 -0.41 -0.05 0.00 0.52 0.00 0.00 34.95 34.95 2a5m s ARG 83 CO 0.01 0.11 1.00 0.00 0.02 0.00 0.00 175.30 176.45 2a5m s ALA 84 N -0.13 3.24 -0.20 2.13 0.00 -1.26 -0.25 121.76 125.29 2a5m s ALA 84 Ca 0.02 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 2a5m s ALA 84 Cb -0.02 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2a5m s ALA 84 CO -0.00 -0.15 0.60 0.08 0.00 0.00 0.00 175.76 176.29 2a5m s VAL 85 N 0.40 5.04 -0.02 0.00 1.01 0.24 -4.89 120.40 122.17 2a5m s VAL 85 Ca 0.50 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.40 2a5m s VAL 85 Cb -0.24 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2a5m s VAL 85 CO 0.30 0.12 0.57 -1.00 0.00 0.00 0.00 175.10 175.08 2a5m s HIS 86 N 1.88 3.66 -0.11 5.22 3.76 -1.26 -4.25 115.29 124.19 2a5m s HIS 86 Ca 0.27 1.14 -0.05 0.00 -0.15 0.00 0.00 55.06 56.27 2a5m s HIS 86 Cb -0.16 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 2a5m s HIS 86 CO 0.10 0.35 0.10 -0.51 -0.85 0.00 0.00 174.74 173.93 2a5m s LEU 87 N -0.16 4.12 -0.20 0.89 1.02 -1.26 -4.70 118.68 118.41 2a5m s LEU 87 Ca 0.30 0.36 -0.03 0.00 0.02 0.00 0.00 54.13 54.77 2a5m s LEU 87 Cb -0.18 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 2a5m s LEU 87 CO 0.16 0.39 -0.05 -0.44 0.02 0.00 0.00 176.35 176.43 2a5m s SER 88 N -0.92 4.36 -0.09 2.29 0.01 -1.26 -5.06 113.70 113.03 2a5m s SER 88 Ca 0.14 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2a5m s SER 88 Cb -0.12 -1.73 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 2a5m s SER 88 CO 0.03 0.04 -0.15 -0.55 0.41 0.00 0.00 173.24 173.02 2a5m s SER 89 N 1.11 3.87 0.00 2.44 0.15 -1.26 -4.85 113.70 115.15 2a5m s SER 89 Ca 0.01 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2a5m s SER 89 Cb -0.15 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 2a5m s SER 89 CO -0.00 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2a5m n GLY 90 N 3.06 -0.31 0.00 9.45 0.00 -1.26 -5.15 105.19 110.98 2a5m n GLY 90 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.48 -0.44 3.12 -0.02 0.00 -1.26 -5.12 105.19 99.99 2a5m n GLY 91 Ca 0.00 0.56 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 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 1.30 2.88 0.06 1.61 2.00 -1.26 -5.10 119.66 121.15 2a5m s GLN 92 Ca 0.00 -0.91 -0.30 0.00 -2.00 0.00 0.00 55.36 52.14 2a5m s GLN 92 Cb 0.00 -2.65 -0.05 0.00 0.80 0.00 0.00 33.01 31.10 2a5m s GLN 92 CO 0.00 -0.27 1.16 0.00 -0.50 0.00 0.00 175.29 175.68 2a5m s ALA 93 N 1.27 3.36 -0.02 1.58 0.00 -1.26 -5.03 121.76 121.65 2a5m s ALA 93 Ca 0.03 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2a5m s ALA 93 Cb -0.14 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 2a5m s ALA 93 CO -0.11 -0.39 -0.10 0.21 0.00 0.00 0.00 175.76 175.36 2a5m s LYS 94 N 0.94 1.04 0.04 0.00 2.20 -1.26 -4.50 119.74 118.21 2a5m s LYS 94 Ca 0.57 -0.36 0.06 0.00 -0.36 0.00 0.00 55.97 55.87 2a5m s LYS 94 Cb -0.28 -0.97 -0.02 0.00 -1.51 0.00 0.00 37.83 35.05 2a5m s LYS 94 CO 0.29 0.16 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.78 2a5m s ILE 95 N 0.06 1.30 -0.07 5.43 2.07 -0.88 -4.19 121.20 124.91 2a5m s ILE 95 Ca -0.01 -1.09 0.05 0.00 -1.41 0.00 0.00 60.65 58.18 2a5m s ILE 95 Cb -0.08 -1.16 -0.00 0.00 0.13 0.00 0.00 42.46 41.34 2a5m s ILE 95 CO 0.00 0.05 -0.23 0.00 -1.91 0.00 0.00 174.94 172.86 2a5m s GLN 96 N -1.21 2.57 0.05 3.50 -2.07 -1.00 -1.83 119.66 119.68 2a5m s GLN 96 Ca 0.03 -0.82 0.08 0.00 -1.82 0.00 0.00 55.36 52.84 2a5m s GLN 96 Cb -0.08 -2.07 -0.03 0.00 -1.09 0.00 0.00 33.01 29.74 2a5m s GLN 96 CO 0.02 0.26 -0.23 0.14 -1.32 0.00 0.00 175.29 174.15 2a5m s VAL 97 N 0.12 1.86 -0.02 3.63 -7.23 -0.15 -0.90 120.40 117.71 2a5m s VAL 97 Ca -0.10 -1.32 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 2a5m s VAL 97 Cb -0.15 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 2a5m s VAL 97 CO 0.05 0.23 -0.22 -0.36 -0.31 0.00 0.00 175.10 174.50 2a5m s PHE 98 N -0.84 2.46 0.40 2.82 0.40 -0.67 -1.47 117.98 121.08 2a5m s PHE 98 Ca 0.09 -0.34 0.15 0.00 -0.60 0.00 0.00 56.93 56.23 2a5m s PHE 98 Cb -0.09 -1.53 0.90 0.00 0.51 0.00 0.00 43.02 42.81 2a5m s PHE 98 CO 0.02 0.06 1.91 1.49 0.70 0.00 0.00 175.22 179.41 2a5m h GLU 99 N 5.34 0.00 -5.81 0.44 4.81 -1.10 -3.36 114.58 114.91 2a5m h GLU 99 Ca -0.45 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.18 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 0.48 0.27 -0.58 0.15 -0.73 0.00 0.00 179.01 178.60 2a5m s LYS 100 N -4.35 2.03 1.09 1.92 1.02 0.90 -4.50 119.74 117.84 2a5m s LYS 100 Ca -0.03 -1.97 -0.13 0.00 0.02 0.00 0.00 55.97 53.87 2a5m s LYS 100 Cb 0.15 -1.78 0.24 0.00 -0.52 0.00 0.00 37.83 35.91 2a5m s LYS 100 CO 0.70 -0.02 1.06 0.20 -0.92 0.00 0.00 175.35 176.37 2a5m s GLY 101 N -3.75 1.56 -1.54 -3.33 0.00 -1.26 -3.07 107.32 95.92 2a5m s GLY 101 Ca 0.36 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.71 2a5m s GLY 101 CO 0.19 0.43 0.89 1.22 0.00 0.00 0.00 173.10 175.84 2a5m n ASP 102 N -4.57 -4.52 -3.76 1.64 8.00 -1.23 -2.02 116.55 110.09 2a5m n ASP 102 Ca 0.04 -0.76 -0.24 0.00 0.71 0.00 0.00 54.79 54.54 2a5m n ASP 102 Cb 0.56 -3.63 0.02 0.00 -0.02 0.00 0.00 41.12 38.05 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 -4.55 -1.85 -4.46 1.24 3.72 -1.25 -4.99 117.46 105.32 2a5m n PHE 103 Ca 0.04 0.76 -0.22 0.00 -0.05 0.00 0.00 57.45 57.98 2a5m n PHE 103 Cb 0.52 -4.06 -0.10 0.00 -0.94 0.00 0.00 39.48 34.89 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 -4.22 2.92 0.00 4.37 3.84 -0.86 -5.01 114.94 115.98 2a5m s ASN 104 Ca 0.08 -1.23 0.00 0.00 0.21 0.00 0.00 52.86 51.91 2a5m s ASN 104 Cb -0.02 -0.20 0.00 0.00 -0.55 0.00 0.00 41.25 40.48 2a5m s ASN 104 CO 0.84 -0.37 0.00 0.61 -2.79 0.00 0.00 177.10 175.39 2a5m n GLY 105 N -0.66 -1.80 3.78 1.21 0.00 -1.26 -0.07 105.19 106.39 2a5m n GLY 105 Ca -0.05 -1.81 -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 4.22 0.01 1.61 0.74 -1.26 -4.67 119.66 120.31 2a5m s GLN 106 Ca 0.00 1.62 0.06 0.00 0.05 0.00 0.00 55.36 57.09 2a5m s GLN 106 Cb 0.00 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.41 2a5m s GLN 106 CO 0.00 -0.11 -0.18 1.41 -0.55 0.00 0.00 175.29 175.86 2a5m s MET 107 N -2.28 2.21 -0.03 1.67 -2.45 -1.26 -1.03 119.30 116.13 2a5m s MET 107 Ca 0.55 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 54.13 2a5m s MET 107 Cb -0.25 -2.23 0.00 0.00 1.25 0.00 0.00 34.83 33.60 2a5m s MET 107 CO 0.32 0.57 -0.10 0.71 1.05 0.00 0.00 175.02 177.57 2a5m s TYR 108 N -0.83 0.99 -0.06 4.11 2.02 -0.54 -4.97 117.35 118.08 2a5m s TYR 108 Ca 0.13 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.65 2a5m s TYR 108 Cb -0.10 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 2a5m s TYR 108 CO 0.03 -0.10 -0.25 -2.00 -1.57 0.00 0.00 175.55 171.66 2a5m s GLU 109 N 0.15 2.54 0.01 -0.62 2.12 -1.26 -0.97 118.70 120.67 2a5m s GLU 109 Ca -0.03 -0.90 -0.14 0.00 0.36 0.00 0.00 54.97 54.26 2a5m s GLU 109 Cb -0.08 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.18 2a5m s GLU 109 CO 0.00 0.37 0.30 -0.08 -0.54 0.00 0.00 175.26 175.32 2a5m s THR 110 N -0.15 0.07 -0.90 -1.70 -1.32 -0.76 -5.00 115.64 105.88 2a5m s THR 110 Ca -0.04 -0.57 0.10 0.00 -1.21 0.00 0.00 61.69 59.97 2a5m s THR 110 Cb -0.14 -0.73 0.27 0.00 -1.51 0.00 0.00 72.50 70.39 2a5m s THR 110 CO 0.04 -0.31 1.21 0.35 -2.21 0.00 0.00 174.62 173.69 2a5m n THR 111 N 1.01 0.92 -4.50 5.08 -2.24 -1.26 -2.08 114.28 111.21 2a5m n THR 111 Ca -0.20 -0.96 -0.25 0.00 -2.27 0.00 0.00 64.05 60.37 2a5m n THR 111 Cb 0.57 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.99 1.74 0.73 -0.78 8.01 -1.26 -4.87 118.70 121.27 2a5m s GLU 112 Ca 0.21 -1.85 -0.13 0.00 0.01 0.00 0.00 54.97 53.20 2a5m s GLU 112 Cb 0.11 -1.68 0.04 0.00 -4.31 0.00 0.00 34.13 28.28 2a5m s GLU 112 CO 0.15 0.21 1.12 0.16 0.01 0.00 0.00 175.26 176.91 2a5m s ASP 113 N -3.55 4.59 -0.21 -0.19 -4.77 -1.26 -4.99 116.67 106.28 2a5m s ASP 113 Ca 0.31 2.01 0.01 0.00 -3.30 0.00 0.00 52.55 51.58 2a5m s ASP 113 Cb -0.00 -2.55 0.05 0.00 -1.09 0.00 0.00 42.92 39.33 2a5m s ASP 113 CO 0.15 -1.98 -0.07 0.00 0.70 0.00 0.00 175.17 173.98 2a5m h PRO 115 N 7.99 0.10 -2.94 0.00 0.13 -1.88 -2.34 132.00 133.05 2a5m h PRO 115 Ca -0.22 -0.11 -0.47 0.00 -0.87 0.00 0.00 66.00 64.33 2a5m h PRO 115 Cb 1.09 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 2a5m h PRO 115 CO 0.43 0.89 -0.75 0.45 -0.23 0.00 0.00 178.00 178.79 2a5m s SER 116 N -6.85 2.63 0.22 1.44 0.15 -1.26 -2.05 113.70 107.97 2a5m s SER 116 Ca -0.01 -0.79 -0.07 0.00 0.70 0.00 0.00 55.95 55.78 2a5m s SER 116 Cb 0.11 -0.23 0.17 0.00 -1.71 0.00 0.00 66.02 64.36 2a5m s SER 116 CO 0.81 -0.38 1.75 0.40 1.20 0.00 0.00 173.24 177.02 2a5m h ILE 117 N 6.41 1.26 -0.44 6.45 2.04 -1.48 -2.03 117.51 129.71 2a5m h ILE 117 Ca -0.17 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 64.67 2a5m h ILE 117 Cb 1.11 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2a5m h ILE 117 CO 0.33 0.36 -0.11 -0.03 0.00 0.00 0.00 178.15 178.70 2a5m h MET 118 N 1.05 0.80 -0.34 2.37 4.05 -1.82 0.22 114.93 121.27 2a5m h MET 118 Ca 0.22 -0.27 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 2a5m h MET 118 Cb 0.34 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2a5m h MET 118 CO -0.00 0.87 -0.43 1.49 0.23 0.00 0.00 176.91 179.07 2a5m h GLU 119 N 0.72 0.86 0.08 0.39 4.22 -1.84 0.11 114.58 119.12 2a5m h GLU 119 Ca 0.12 -0.47 -0.11 0.00 0.08 0.00 0.00 59.36 58.98 2a5m h GLU 119 Cb 0.60 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2a5m h GLU 119 CO 0.04 1.11 -0.51 0.37 -2.18 0.00 0.00 179.01 177.84 2a5m h GLN 120 N 0.69 0.16 -0.01 1.92 4.15 -1.16 -3.39 115.11 117.46 2a5m h GLN 120 Ca 0.05 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2a5m h GLN 120 Cb 1.02 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2a5m h GLN 120 CO 0.10 1.13 -0.05 1.19 -1.93 0.00 0.00 178.83 179.27 2a5m n PHE 121 N -4.33 0.00 -2.84 3.99 3.72 0.77 -4.99 117.46 113.78 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 0.68 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.37 -1.65 -4.84 1.38 8.25 0.39 -4.96 115.22 114.15 2a5m n HIS 122 Ca 0.06 0.39 -0.33 0.00 -0.26 0.00 0.00 57.72 57.57 2a5m n HIS 122 Cb 0.25 -4.18 -0.14 0.00 1.12 0.00 0.00 29.99 27.04 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 2.73 0.15 2.41 1.43 -1.25 -4.96 118.68 113.06 2a5m s LEU 123 Ca 0.22 -0.25 0.20 0.00 -1.03 0.00 0.00 54.13 53.28 2a5m s LEU 123 Cb -0.10 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 2a5m s LEU 123 CO 0.28 0.27 0.95 -2.11 0.23 0.00 0.00 176.35 175.97 2a5m n ARG 124 N 2.80 0.61 -3.92 1.70 0.00 -1.26 -3.35 116.66 113.24 2a5m n ARG 124 Ca -0.18 0.15 -0.09 0.00 -0.00 0.00 0.00 57.85 57.73 2a5m n ARG 124 Cb 0.52 -1.81 -0.07 0.00 -0.00 0.00 0.00 32.46 31.10 2a5m n ARG 124 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2a5m s GLU 125 N -3.21 1.15 -0.09 2.89 2.02 -1.26 -4.72 118.70 115.47 2a5m s GLU 125 Ca -0.02 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.88 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 -0.43 -0.10 0.42 0.02 0.00 0.00 175.26 175.98 2a5m s ILE 126 N -3.94 1.08 -0.28 -1.63 -1.09 -0.95 -4.95 121.20 109.43 2a5m s ILE 126 Ca 0.15 -0.38 0.11 0.00 -2.23 0.00 0.00 60.65 58.29 2a5m s ILE 126 Cb 0.03 -1.04 -0.14 0.00 -1.58 0.00 0.00 42.46 39.73 2a5m s ILE 126 CO -0.02 0.36 0.36 1.41 -1.23 0.00 0.00 174.94 175.82 2a5m n HIS 127 N 4.41 0.00 -3.52 3.97 8.25 -1.26 -4.63 115.22 122.44 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 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 2a5m n HIS 127 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2a5m s SER 128 N -2.55 -0.62 -0.22 0.41 0.01 -1.26 -3.65 113.70 105.83 2a5m s SER 128 Ca 0.00 0.58 -0.29 0.00 1.31 0.00 0.00 55.95 57.55 2a5m s SER 128 Cb 0.08 0.53 0.14 0.00 0.21 0.00 0.00 66.02 66.98 2a5m s SER 128 CO 0.44 -0.65 1.11 0.00 0.41 0.00 0.00 173.24 174.55 2a5m s LYS 130 N -0.76 2.21 -0.14 0.00 1.02 -0.07 -4.10 119.74 117.89 2a5m s LYS 130 Ca 0.02 -1.41 -0.02 0.00 0.02 0.00 0.00 55.97 54.58 2a5m s LYS 130 Cb -0.02 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 2a5m s LYS 130 CO -0.03 -0.67 -0.09 0.54 -0.92 0.00 0.00 175.35 174.18 2a5m s VAL 131 N 1.14 3.42 -0.40 3.17 0.11 -1.26 -2.36 120.40 124.22 2a5m s VAL 131 Ca -0.04 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 2a5m s VAL 131 Cb -0.20 -2.47 0.13 0.00 -1.53 0.00 0.00 36.38 32.31 2a5m s VAL 131 CO -0.04 0.51 0.20 -0.69 -3.33 0.00 0.00 175.10 171.75 2a5m s VAL 132 N 0.39 1.14 0.32 2.04 1.01 -1.26 -4.45 120.40 119.60 2a5m s VAL 132 Ca -0.07 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 59.70 2a5m s VAL 132 Cb -0.15 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2a5m s VAL 132 CO 0.04 -0.86 0.00 1.21 0.00 0.00 0.00 175.10 175.49 2a5m n GLU 133 N 3.88 0.00 0.00 2.72 0.00 -1.26 -4.70 120.64 121.28 2a5m n GLU 133 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 2a5m n GLU 133 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.80 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 0.03 1.38 2.79 8.31 0.00 -1.26 -4.49 105.19 111.96 2a5m n GLY 134 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2a5m n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a5m n THR 135 N -0.77 2.72 -4.66 2.61 -2.24 -1.26 -4.74 114.28 105.94 2a5m n THR 135 Ca 0.00 -5.34 -0.24 0.00 -2.27 0.00 0.00 64.05 56.19 2a5m n THR 135 Cb 0.00 -1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 66.80 2a5m n THR 135 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2a5m s TRP 136 N -3.43 1.43 -0.04 4.78 0.52 -1.26 -0.49 118.94 120.46 2a5m s TRP 136 Ca 0.48 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 56.25 2a5m s TRP 136 Cb 0.31 -0.99 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 2a5m s TRP 136 CO -0.15 -0.16 -0.25 0.42 0.02 0.00 0.00 176.95 176.83 2a5m s ILE 137 N 0.18 2.04 -0.04 2.03 1.01 -0.56 -1.67 121.20 124.19 2a5m s ILE 137 Ca -0.05 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.53 2a5m s ILE 137 Cb -0.11 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2a5m s ILE 137 CO 0.02 0.57 -0.06 -0.36 0.00 0.00 0.00 174.94 175.11 2a5m s PHE 138 N -0.39 2.93 0.02 3.97 0.40 -0.46 -1.40 117.98 123.05 2a5m s PHE 138 Ca 0.03 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 2a5m s PHE 138 Cb -0.12 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2a5m s PHE 138 CO 0.01 0.35 -0.24 0.71 0.70 0.00 0.00 175.22 176.76 2a5m s TYR 139 N -0.88 2.11 0.24 0.36 1.51 0.14 -0.74 117.35 120.10 2a5m s TYR 139 Ca 0.14 -0.40 0.10 0.00 -1.01 0.00 0.00 57.07 55.90 2a5m s TYR 139 Cb -0.11 -1.31 0.24 0.00 -0.11 0.00 0.00 41.96 40.68 2a5m s TYR 139 CO 0.04 0.04 1.55 1.49 -1.11 0.00 0.00 175.55 177.55 2a5m h GLU 140 N 5.16 0.01 -6.46 -0.62 4.81 -1.24 -1.37 114.58 114.86 2a5m h GLU 140 Ca -0.43 -0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.16 2a5m h GLU 140 Cb 1.14 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.37 2a5m h GLU 140 CO 0.45 0.70 -0.75 -0.51 -0.73 0.00 0.00 179.01 178.17 2a5m s LEU 141 N -7.44 2.81 1.10 1.64 1.43 -0.04 -3.29 118.68 114.89 2a5m s LEU 141 Ca -0.01 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.26 2a5m s LEU 141 Cb 0.12 -1.50 0.17 0.00 0.03 0.00 0.00 46.19 45.02 2a5m s LEU 141 CO 0.77 0.10 0.58 -0.81 0.23 0.00 0.00 176.35 177.22 2a5m n PRO 142 N 0.02 -1.63 -2.59 1.29 -0.04 -1.26 -2.46 135.00 128.33 2a5m n PRO 142 Ca -0.11 -0.44 -0.21 0.00 -0.04 0.00 0.00 63.50 62.70 2a5m n PRO 142 Cb 0.56 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 2a5m n PRO 142 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2a5m n ASN 143 N -3.18 -6.01 -3.52 3.54 3.02 -0.87 -2.84 115.26 105.40 2a5m n ASN 143 Ca 0.04 -0.10 -0.19 0.00 -0.03 0.00 0.00 54.58 54.29 2a5m n ASN 143 Cb 0.57 -4.95 0.06 0.00 -0.61 0.00 0.00 39.78 34.85 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2a5m n TYR 144 N -4.18 -2.10 -4.41 3.10 4.01 -1.23 -5.01 117.16 107.33 2a5m n TYR 144 Ca -0.21 0.87 -0.20 0.00 -0.16 0.00 0.00 57.90 58.21 2a5m n TYR 144 Cb 0.67 -4.66 -0.10 0.00 -0.31 0.00 0.00 39.34 34.94 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 -5.51 1.51 0.83 -0.72 1.81 -1.03 -5.02 118.95 110.82 2a5m s ARG 145 Ca 0.07 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.31 2a5m s ARG 145 Cb -0.01 -0.98 0.00 0.00 -0.45 0.00 0.00 34.95 33.51 2a5m s ARG 145 CO 0.77 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.77 2a5m n GLY 146 N -0.56 -1.83 3.77 -3.53 0.00 -1.26 -0.86 105.19 100.93 2a5m n GLY 146 Ca -0.05 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 2a5m n GLY 146 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 147 N 0.00 4.23 0.10 1.61 3.52 -1.26 -4.69 118.95 122.46 2a5m s ARG 147 Ca 0.00 2.04 0.07 0.00 -0.13 0.00 0.00 55.73 57.72 2a5m s ARG 147 Cb 0.00 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 2a5m s ARG 147 CO 0.00 -0.23 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.48 2a5m s GLN 148 N -1.97 2.04 -0.06 5.12 -0.21 -1.24 -1.35 119.66 121.99 2a5m s GLN 148 Ca 0.52 -1.05 0.04 0.00 0.02 0.00 0.00 55.36 54.89 2a5m s GLN 148 Cb -0.36 -2.25 -0.00 0.00 1.00 0.00 0.00 33.01 31.40 2a5m s GLN 148 CO 0.47 0.51 -0.19 0.71 -2.12 0.00 0.00 175.29 174.66 2a5m s TYR 149 N -1.17 1.97 -0.25 0.91 1.51 0.09 -4.55 117.35 115.86 2a5m s TYR 149 Ca 0.20 -0.65 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 2a5m s TYR 149 Cb -0.11 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 2a5m s TYR 149 CO 0.12 -0.24 0.39 -1.17 -1.11 0.00 0.00 175.55 173.54 2a5m s LEU 150 N 0.16 4.07 -0.06 -1.29 2.96 -1.26 -1.35 118.68 121.91 2a5m s LEU 150 Ca -0.08 0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 2a5m s LEU 150 Cb -0.14 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 2a5m s LEU 150 CO 0.04 -0.16 0.27 -0.76 -1.32 0.00 0.00 176.35 174.42 2a5m s LEU 151 N 1.87 4.43 0.00 -0.68 1.43 -0.67 -5.02 118.68 120.04 2a5m s LEU 151 Ca 0.17 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2a5m s LEU 151 Cb -0.15 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.75 2a5m s LEU 151 CO 0.09 0.36 0.00 0.47 0.23 0.00 0.00 176.35 177.50 2a5m n ASP 152 N 1.95 0.89 -1.56 2.29 8.00 -1.26 -3.99 116.55 122.87 2a5m n ASP 152 Ca -0.17 -0.85 -0.02 0.00 0.71 0.00 0.00 54.79 54.46 2a5m n ASP 152 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 2a5m n ASP 152 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2a5m n LYS 153 N -0.47 1.12 -4.14 -1.24 4.81 -1.26 -4.38 118.16 112.60 2a5m n LYS 153 Ca 0.00 -0.15 -0.24 0.00 -0.87 0.00 0.00 58.31 57.05 2a5m n LYS 153 Cb 0.00 -1.12 -0.07 0.00 0.02 0.00 0.00 35.03 33.86 2a5m n LYS 153 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2a5m s LYS 154 N 0.03 2.24 -0.26 1.64 2.20 -1.26 -4.95 119.74 119.38 2a5m s LYS 154 Ca 0.08 -1.75 -0.09 0.00 -0.36 0.00 0.00 55.97 53.84 2a5m s LYS 154 Cb 0.04 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 2a5m s LYS 154 CO -0.00 -0.02 0.14 -1.21 -0.36 0.00 0.00 175.35 173.89 2a5m s GLU 155 N -3.87 3.84 -0.35 4.03 0.41 -1.26 -4.59 118.70 116.91 2a5m s GLU 155 Ca 0.39 -0.38 -0.15 0.00 -0.41 0.00 0.00 54.97 54.43 2a5m s GLU 155 Cb 0.02 -3.51 -0.01 0.00 -1.78 0.00 0.00 34.13 28.85 2a5m s GLU 155 CO 0.22 -0.16 0.34 0.71 -0.49 0.00 0.00 175.26 175.88 2a5m s TYR 156 N 1.62 3.21 -0.13 1.61 1.51 -1.26 -4.93 117.35 118.98 2a5m s TYR 156 Ca 0.07 -0.15 0.18 0.00 -1.01 0.00 0.00 57.07 56.15 2a5m s TYR 156 Cb -0.15 -2.64 -0.17 0.00 -0.11 0.00 0.00 41.96 38.88 2a5m s TYR 156 CO 0.07 -0.45 0.68 0.54 -1.11 0.00 0.00 175.55 175.28 2a5m n ARG 157 N 5.32 0.63 -4.32 -0.62 1.74 -1.26 -3.94 116.66 114.21 2a5m n ARG 157 Ca -0.10 0.14 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 2a5m n ARG 157 Cb 0.49 -1.73 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 2a5m n ARG 157 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2a5m s LYS 158 N -2.93 1.25 0.25 5.56 1.02 -1.26 -3.49 119.74 120.13 2a5m s LYS 158 Ca -0.04 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 54.55 2a5m s LYS 158 Cb 0.09 -1.39 0.26 0.00 -0.52 0.00 0.00 37.83 36.27 2a5m s LYS 158 CO 0.82 0.30 1.91 -1.00 -0.92 0.00 0.00 175.35 176.46 2a5m h PRO 159 N 3.51 1.29 0.00 -1.68 0.13 -1.91 -0.64 132.00 132.69 2a5m h PRO 159 Ca -0.44 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2a5m h PRO 159 Cb 1.20 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2a5m h PRO 159 CO 0.47 0.88 0.00 0.28 -0.23 0.00 0.00 178.00 179.40 2a5m h VAL 160 N 1.32 0.00 0.00 1.56 2.07 -1.92 -1.84 116.25 117.44 2a5m h VAL 160 Ca 0.35 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.85 2a5m h VAL 160 Cb -0.09 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2a5m h VAL 160 CO -0.07 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.96 2a5m h ASP 161 N 0.00 0.00 -0.57 0.57 3.32 -1.41 -1.99 116.42 116.33 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a5m h ASP 161 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 174.85 2a5m n TRP 162 N -2.82 1.41 -0.70 4.55 2.14 -0.69 -4.92 117.44 116.40 2a5m n TRP 162 Ca -0.00 -0.64 0.00 0.00 2.07 0.00 0.00 57.50 58.92 2a5m n TRP 162 Cb 0.18 -0.26 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 0.84 0.64 3.85 -1.67 0.00 -0.75 -4.69 105.19 103.42 2a5m n GLY 163 Ca 0.24 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 3.78 -1.39 4.61 0.00 -1.25 -4.98 121.76 120.53 2a5m s ALA 164 Ca 0.00 -0.68 0.28 0.00 0.00 0.00 0.00 51.96 51.56 2a5m s ALA 164 Cb 0.00 -1.88 1.01 0.00 0.00 0.00 0.00 23.12 22.26 2a5m s ALA 164 CO 0.00 0.62 1.74 0.00 0.00 0.00 0.00 175.76 178.12 2a5m n ALA 165 N 1.93 2.89 -2.98 0.00 0.00 -1.26 -3.82 120.51 117.27 2a5m n ALA 165 Ca -0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 2a5m n ALA 165 Cb 0.55 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.70 0.23 0.00 0.00 0.01 -1.26 -5.00 113.70 104.99 2a5m s SER 166 Ca 0.21 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2a5m s SER 166 Cb 0.19 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2a5m s SER 166 CO 0.54 -0.31 0.57 -0.81 0.41 0.00 0.00 173.24 173.65 2a5m n PRO 167 N 1.58 0.75 -2.76 12.44 -0.04 -1.26 -4.80 135.00 140.91 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 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.54 3.62 -0.15 0.55 0.00 -1.26 -2.25 121.76 120.73 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 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.77 2a5m s ALA 168 CO 0.00 -0.90 0.33 0.42 0.00 0.00 0.00 175.76 175.61 2a5m s ILE 169 N 2.80 -0.33 -0.23 0.00 1.01 -1.26 -4.71 121.20 118.48 2a5m s ILE 169 Ca 0.41 0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.32 2a5m s ILE 169 Cb -0.16 -0.53 -0.10 0.00 0.01 0.00 0.00 42.46 41.69 2a5m s ILE 169 CO 0.09 0.08 0.27 0.00 0.00 0.00 0.00 174.94 175.37 2a5m n GLN 170 N 4.93 2.95 -3.53 2.79 1.13 -0.55 -4.55 117.38 120.55 2a5m n GLN 170 Ca -0.14 -0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 54.78 2a5m n GLN 170 Cb 0.51 -0.98 -0.03 0.00 0.11 0.00 0.00 30.24 29.86 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 -2.15 -0.43 0.02 1.08 0.15 -0.99 -1.36 113.70 110.02 2a5m s SER 171 Ca 0.01 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.32 2a5m s SER 171 Cb 0.05 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 2a5m s SER 171 CO 0.32 -0.95 0.39 0.72 1.20 0.00 0.00 173.24 174.91 2a5m s PHE 172 N -3.78 -0.25 0.01 3.44 -0.12 -0.88 0.28 117.98 116.68 2a5m s PHE 172 Ca 0.03 0.27 -0.07 0.00 -0.05 0.00 0.00 56.93 57.11 2a5m s PHE 172 Cb -0.00 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.56 2a5m s PHE 172 CO -0.11 -0.51 0.13 1.03 -0.05 0.00 0.00 175.22 175.70 2a5m s ARG 173 N -2.04 0.49 0.16 1.99 1.81 -0.49 -2.06 118.95 118.81 2a5m s ARG 173 Ca -0.08 -0.44 -0.17 0.00 -1.72 0.00 0.00 55.73 53.31 2a5m s ARG 173 Cb -0.02 0.20 -0.07 0.00 -0.45 0.00 0.00 34.95 34.61 2a5m s ARG 173 CO 0.01 -0.12 0.62 -0.98 -0.68 0.00 0.00 175.30 174.15 2a5m s ARG 174 N -1.50 4.13 -0.17 3.54 1.70 -1.26 -1.50 118.95 123.89 2a5m s ARG 174 Ca -0.14 0.69 -0.13 0.00 -0.47 0.00 0.00 55.73 55.68 2a5m s ARG 174 Cb -0.07 -2.97 -0.05 0.00 -0.57 0.00 0.00 34.95 31.29 2a5m s ARG 174 CO 0.01 0.47 0.27 0.42 -1.08 0.00 0.00 175.30 175.39 2a5m s ILE 175 N -1.42 5.32 0.03 4.99 1.01 0.36 -4.96 121.20 126.52 2a5m s ILE 175 Ca 0.38 0.48 0.02 0.00 0.00 0.00 0.00 60.65 61.53 2a5m s ILE 175 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2a5m s ILE 175 CO 0.20 0.38 -0.07 -0.69 0.00 0.00 0.00 174.94 174.76 2a5m s VAL 176 N 0.55 0.50 0.00 2.92 1.01 -1.26 -4.85 120.40 119.26 2a5m s VAL 176 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2a5m s VAL 176 Cb -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2a5m s VAL 176 CO 0.03 -0.21 0.10 -0.62 0.00 0.00 0.00 175.10 174.40