#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a45 s LYS 2 N 0.00 0.08 0.01 1.61 2.20 -0.68 -4.62 119.74 118.34 1a45 s LYS 2 Ca 0.00 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 1a45 s LYS 2 Cb 0.00 -0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.11 1a45 s LYS 2 CO 0.00 -0.22 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.24 1a45 s ILE 3 N 1.60 0.21 -0.04 5.43 2.07 -0.95 -1.32 121.20 128.21 1a45 s ILE 3 Ca -0.05 -0.45 0.04 0.00 -1.41 0.00 0.00 60.65 58.78 1a45 s ILE 3 Cb -0.12 -0.25 -0.00 0.00 0.13 0.00 0.00 42.46 42.22 1a45 s ILE 3 CO -0.06 -0.16 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.77 1a45 s THR 4 N -0.62 1.29 -0.09 4.00 2.01 0.38 -0.59 115.64 122.02 1a45 s THR 4 Ca -0.05 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1a45 s THR 4 Cb -0.05 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1a45 s THR 4 CO -0.00 0.38 0.04 -0.36 -0.69 0.00 0.00 174.62 173.99 1a45 s PHE 5 N 0.07 3.28 -0.09 4.92 0.40 -0.12 -1.60 117.98 124.84 1a45 s PHE 5 Ca -0.04 0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1a45 s PHE 5 Cb -0.11 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1a45 s PHE 5 CO 0.02 0.55 -0.16 0.71 0.70 0.00 0.00 175.22 177.04 1a45 s TYR 6 N -0.93 1.90 0.35 0.36 2.02 -0.09 -1.35 117.35 119.61 1a45 s TYR 6 Ca 0.14 -0.82 0.13 0.00 -0.37 0.00 0.00 57.07 56.15 1a45 s TYR 6 Cb -0.12 -1.35 0.67 0.00 -0.40 0.00 0.00 41.96 40.76 1a45 s TYR 6 CO 0.03 -0.40 1.79 0.93 -1.57 0.00 0.00 175.55 176.33 1a45 h GLU 7 N 7.16 0.00 -6.71 -0.62 5.08 -1.26 0.48 114.58 118.71 1a45 h GLU 7 Ca -0.29 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.38 1a45 h GLU 7 Cb 1.19 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.19 1a45 h GLU 7 CO 0.48 0.41 -0.86 -0.51 -1.00 0.00 0.00 179.01 177.53 1a45 s ASP 8 N -6.89 3.35 1.06 1.42 1.01 -0.06 -3.34 116.67 113.22 1a45 s ASP 8 Ca -0.02 -0.56 -0.16 0.00 0.71 0.00 0.00 52.55 52.52 1a45 s ASP 8 Cb 0.14 -0.37 0.10 0.00 1.01 0.00 0.00 42.92 43.80 1a45 s ASP 8 CO 0.73 0.25 0.31 0.54 0.21 0.00 0.00 175.17 177.21 1a45 n ARG 9 N 1.66 -1.18 -1.36 8.23 1.74 -1.21 -1.58 116.66 122.95 1a45 n ARG 9 Ca -0.17 -0.32 -0.12 0.00 -0.77 0.00 0.00 57.85 56.47 1a45 n ARG 9 Cb 0.52 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 1a45 n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a45 n GLY 10 N 1.65 1.32 2.44 -0.13 0.00 0.05 -3.15 105.19 107.36 1a45 n GLY 10 Ca 0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1a45 n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a45 n PHE 11 N -2.56 -1.32 -4.48 1.61 3.72 -1.21 -5.04 117.46 108.18 1a45 n PHE 11 Ca -0.12 0.55 -0.25 0.00 -0.05 0.00 0.00 57.45 57.58 1a45 n PHE 11 Cb 0.45 -3.73 -0.08 0.00 -0.94 0.00 0.00 39.48 35.17 1a45 n PHE 11 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1a45 s GLN 12 N -4.90 1.90 1.98 -1.08 2.00 -0.61 -5.04 119.66 113.92 1a45 s GLN 12 Ca 0.04 -2.15 0.00 0.00 -2.00 0.00 0.00 55.36 51.25 1a45 s GLN 12 Cb -0.02 -0.46 0.00 0.00 0.80 0.00 0.00 33.01 33.33 1a45 s GLN 12 CO 0.42 -0.51 0.00 0.41 -0.50 0.00 0.00 175.29 175.11 1a45 n GLY 13 N -0.87 -1.08 3.74 2.59 0.00 -1.26 -0.88 105.19 107.42 1a45 n GLY 13 Ca -0.04 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1a45 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a45 s ARG 14 N 0.00 4.63 0.07 1.61 0.52 -1.26 -4.80 118.95 119.73 1a45 s ARG 14 Ca 0.00 1.66 0.08 0.00 -0.52 0.00 0.00 55.73 56.95 1a45 s ARG 14 Cb 0.00 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 1a45 s ARG 14 CO 0.00 0.13 -0.21 -3.38 0.02 0.00 0.00 175.30 171.86 1a45 s HIS 15 N -0.28 1.82 -0.12 -0.53 -3.43 -1.26 -1.49 115.29 110.00 1a45 s HIS 15 Ca 0.48 -0.39 -0.02 0.00 -0.80 0.00 0.00 55.06 54.33 1a45 s HIS 15 Cb -0.28 -1.04 0.04 0.00 -1.43 0.00 0.00 32.58 29.87 1a45 s HIS 15 CO 0.34 0.15 0.01 -0.47 -2.00 0.00 0.00 174.74 172.77 1a45 s TYR 16 N -0.97 0.88 -0.12 0.38 5.04 -0.45 -4.94 117.35 117.17 1a45 s TYR 16 Ca 0.07 -0.48 -0.19 0.00 -2.44 0.00 0.00 57.07 54.04 1a45 s TYR 16 Cb -0.09 -0.93 -0.04 0.00 0.35 0.00 0.00 41.96 41.25 1a45 s TYR 16 CO 0.03 -0.45 0.49 -2.00 -1.34 0.00 0.00 175.55 172.28 1a45 s GLU 17 N 1.91 4.34 -0.02 4.97 2.12 -1.26 -0.94 118.70 129.81 1a45 s GLU 17 Ca 0.03 0.48 0.08 0.00 0.36 0.00 0.00 54.97 55.91 1a45 s GLU 17 Cb -0.14 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1a45 s GLU 17 CO -0.07 0.14 -0.26 0.00 -0.54 0.00 0.00 175.26 174.54 1a45 n SER 19 N 2.48 1.84 -0.02 0.00 3.41 -1.26 -2.24 113.62 117.84 1a45 n SER 19 Ca -0.16 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1a45 n SER 19 Cb 0.51 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1a45 n SER 19 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a45 n SER 20 N 0.24 0.00 -4.77 4.04 3.41 -1.26 -3.82 113.62 111.46 1a45 n SER 20 Ca 0.04 -0.02 -0.39 0.00 -0.26 0.00 0.00 58.87 58.25 1a45 n SER 20 Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1a45 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1a45 s ASP 21 N 1.95 6.20 -0.23 4.04 1.11 -1.26 -4.60 116.67 123.88 1a45 s ASP 21 Ca 0.00 2.59 -0.03 0.00 0.18 0.00 0.00 52.55 55.29 1a45 s ASP 21 Cb 0.00 -2.63 0.11 0.00 1.07 0.00 0.00 42.92 41.47 1a45 s ASP 21 CO 0.00 -0.92 0.29 -2.28 1.18 0.00 0.00 175.17 173.44 1a45 s HIS 22 N -1.32 -0.50 0.37 4.23 2.46 -0.72 -5.01 115.29 114.80 1a45 s HIS 22 Ca 0.59 0.41 0.32 0.00 0.47 0.00 0.00 55.06 56.86 1a45 s HIS 22 Cb -0.36 -0.23 1.58 0.00 -0.13 0.00 0.00 32.58 33.44 1a45 s HIS 22 CO 0.46 -0.68 2.09 0.77 -2.47 0.00 0.00 174.74 174.91 1a45 h SER 23 N 8.26 0.00 -3.77 9.88 0.02 -1.89 -2.41 113.55 123.63 1a45 h SER 23 Ca -0.18 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.66 1a45 h SER 23 Cb 1.15 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.45 1a45 h SER 23 CO 0.28 0.08 -0.22 0.21 -1.14 0.00 0.00 176.83 176.04 1a45 s ASN 24 N -5.86 -0.47 0.00 3.07 3.84 -1.25 -0.50 114.94 113.76 1a45 s ASN 24 Ca -0.02 0.89 0.00 0.00 0.21 0.00 0.00 52.86 53.94 1a45 s ASN 24 Cb 0.12 0.88 0.00 0.00 -0.55 0.00 0.00 41.25 41.70 1a45 s ASN 24 CO 0.55 -0.16 0.00 0.18 -2.79 0.00 0.00 177.10 174.88 1a45 n LEU 25 N 3.10 0.00 0.30 3.21 4.77 0.48 -4.81 117.00 124.04 1a45 n LEU 25 Ca -0.15 -0.26 0.17 0.00 -0.03 0.00 0.00 56.01 55.74 1a45 n LEU 25 Cb 0.57 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.51 1a45 n LEU 25 CO 0.11 0.00 1.14 0.06 -1.33 0.00 0.00 177.39 177.37 1a45 h GLN 26 N 0.00 0.00 0.00 3.23 3.07 -1.75 0.20 115.11 119.86 1a45 h GLN 26 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1a45 h GLN 26 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1a45 h GLN 26 CO 0.00 0.00 -0.05 -2.30 0.09 0.00 0.00 178.83 176.57 1a45 n PRO 27 N -3.04 0.14 -0.12 0.06 -0.02 -1.26 -4.12 135.00 126.64 1a45 n PRO 27 Ca -0.01 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 1a45 n PRO 27 Cb 0.37 -1.66 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 1a45 n PRO 27 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1a45 n TYR 28 N -1.91 0.18 -3.80 6.00 4.01 0.68 -5.02 117.16 117.30 1a45 n TYR 28 Ca 0.06 0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.73 1a45 n TYR 28 Cb 0.39 -1.02 -0.09 0.00 -0.31 0.00 0.00 39.34 38.31 1a45 n TYR 28 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1a45 s PHE 29 N -2.51 -0.12 -1.64 -0.72 -0.71 -1.06 -4.96 117.98 106.26 1a45 s PHE 29 Ca -0.35 0.19 0.19 0.00 -1.04 0.00 0.00 56.93 55.92 1a45 s PHE 29 Cb 0.11 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1a45 s PHE 29 CO 0.57 -0.34 0.95 -1.13 -1.34 0.00 0.00 175.22 173.93 1a45 n SER 30 N 1.48 1.70 -3.64 1.98 3.41 -1.26 -4.19 113.62 113.10 1a45 n SER 30 Ca -0.21 -1.35 -0.10 0.00 -0.26 0.00 0.00 58.87 56.95 1a45 n SER 30 Cb 0.56 0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 65.00 1a45 n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a45 s ARG 31 N -2.29 0.59 -0.28 4.33 1.70 -1.26 -4.93 118.95 116.80 1a45 s ARG 31 Ca 0.15 0.75 0.03 0.00 -0.47 0.00 0.00 55.73 56.19 1a45 s ARG 31 Cb 0.15 0.27 0.07 0.00 -0.57 0.00 0.00 34.95 34.87 1a45 s ARG 31 CO 0.54 -0.08 -0.06 0.00 -1.08 0.00 0.00 175.30 174.61 1a45 n ASN 33 N 4.39 2.66 -3.59 0.00 3.02 0.13 -4.67 115.26 117.21 1a45 n ASN 33 Ca -0.09 -2.31 -0.07 0.00 -0.03 0.00 0.00 54.58 52.07 1a45 n ASN 33 Cb 0.42 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 1a45 n ASN 33 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1a45 s SER 34 N -1.41 -0.25 -0.18 6.41 0.01 -1.02 -3.32 113.70 113.94 1a45 s SER 34 Ca 0.19 0.19 -0.25 0.00 1.31 0.00 0.00 55.95 57.40 1a45 s SER 34 Cb 0.13 0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.65 1a45 s SER 34 CO 0.07 -0.28 0.65 -0.63 0.41 0.00 0.00 173.24 173.46 1a45 s ILE 35 N -1.57 0.00 -0.11 1.44 1.01 -0.79 -0.91 121.20 120.27 1a45 s ILE 35 Ca 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1a45 s ILE 35 Cb -0.01 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1a45 s ILE 35 CO -0.03 -0.01 -0.20 -0.60 0.00 0.00 0.00 174.94 174.09 1a45 s ARG 36 N -0.14 2.73 -0.26 2.79 3.52 -0.63 -1.10 118.95 125.85 1a45 s ARG 36 Ca -0.04 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1a45 s ARG 36 Cb -0.03 -2.16 0.05 0.00 -1.56 0.00 0.00 34.95 31.25 1a45 s ARG 36 CO 0.04 0.06 -0.08 0.08 -0.81 0.00 0.00 175.30 174.59 1a45 s VAL 37 N 0.63 2.48 -0.48 7.11 1.01 -0.95 -0.47 120.40 129.73 1a45 s VAL 37 Ca -0.13 -1.43 0.24 0.00 0.00 0.00 0.00 61.98 60.65 1a45 s VAL 37 Cb -0.16 -2.39 0.20 0.00 0.00 0.00 0.00 36.38 34.03 1a45 s VAL 37 CO 0.03 0.02 1.46 0.44 0.00 0.00 0.00 175.10 177.06 1a45 h ASP 38 N 7.88 0.00 -3.27 3.32 5.19 -1.50 -2.82 116.42 125.22 1a45 h ASP 38 Ca -0.23 -0.03 0.26 0.00 -0.62 0.00 0.00 57.03 56.40 1a45 h ASP 38 Cb 1.06 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.31 1a45 h ASP 38 CO 0.51 0.02 0.95 -0.94 -3.12 0.00 0.00 179.24 176.66 1a45 s SER 39 N -5.37 -0.04 0.00 6.45 1.04 -1.15 -4.87 113.70 109.76 1a45 s SER 39 Ca 0.06 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1a45 s SER 39 Cb 0.09 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1a45 s SER 39 CO 0.69 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.48 1a45 n GLY 40 N 0.43 -1.58 3.52 7.32 0.00 -1.26 -1.69 105.19 111.93 1a45 n GLY 40 Ca 0.01 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1a45 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a45 s TRP 42 N 0.32 2.18 -0.06 0.00 0.52 0.25 -1.19 118.94 120.97 1a45 s TRP 42 Ca -0.03 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.77 1a45 s TRP 42 Cb -0.14 -0.97 -0.01 0.00 -1.15 0.00 0.00 33.47 31.20 1a45 s TRP 42 CO 0.03 0.62 -0.23 1.41 0.02 0.00 0.00 176.95 178.80 1a45 s MET 43 N -3.40 2.47 0.09 4.98 1.75 -0.35 -1.47 119.30 123.36 1a45 s MET 43 Ca 0.27 -0.84 0.10 0.00 -1.25 0.00 0.00 55.69 53.97 1a45 s MET 43 Cb -0.05 -2.06 -0.03 0.00 2.84 0.00 0.00 34.83 35.53 1a45 s MET 43 CO 0.13 0.32 -0.25 -0.51 -0.65 0.00 0.00 175.02 174.05 1a45 s LEU 44 N -0.03 2.31 0.11 4.11 2.01 0.11 -1.35 118.68 125.95 1a45 s LEU 44 Ca -0.06 -0.64 0.10 0.00 0.01 0.00 0.00 54.13 53.53 1a45 s LEU 44 Cb -0.14 -1.30 -0.04 0.00 0.01 0.00 0.00 46.19 44.73 1a45 s LEU 44 CO 0.04 0.22 -0.24 -0.31 1.01 0.00 0.00 176.35 177.07 1a45 s TYR 45 N -0.95 2.07 0.30 0.29 1.51 -0.33 -0.45 117.35 119.81 1a45 s TYR 45 Ca 0.13 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1a45 s TYR 45 Cb -0.10 -1.14 0.49 0.00 -0.11 0.00 0.00 41.96 41.09 1a45 s TYR 45 CO 0.05 0.25 1.71 1.49 -1.11 0.00 0.00 175.55 177.94 1a45 h GLU 46 N 4.10 0.20 -5.77 -0.62 4.81 -1.21 -0.94 114.58 115.14 1a45 h GLU 46 Ca -0.48 -0.09 -0.62 0.00 -0.13 0.00 0.00 59.36 58.04 1a45 h GLU 46 Cb 1.17 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 1a45 h GLU 46 CO 0.40 0.58 -0.60 -0.65 -0.73 0.00 0.00 179.01 178.01 1a45 s GLN 47 N -4.13 1.99 0.71 1.92 -0.21 -1.07 -3.62 119.66 115.25 1a45 s GLN 47 Ca -0.04 -2.02 -0.12 0.00 0.02 0.00 0.00 55.36 53.21 1a45 s GLN 47 Cb 0.13 -1.72 0.02 0.00 1.00 0.00 0.00 33.01 32.44 1a45 s GLN 47 CO 0.76 -0.02 1.07 -1.25 -2.12 0.00 0.00 175.29 173.74 1a45 s PRO 48 N -3.72 2.75 -0.90 2.91 0.04 -1.26 -3.65 135.00 131.18 1a45 s PRO 48 Ca 0.36 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1a45 s PRO 48 Cb 0.07 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1a45 s PRO 48 CO 0.19 -1.25 0.00 0.09 0.04 0.00 0.00 177.00 176.07 1a45 n ASN 49 N -3.08 -3.59 -2.43 6.66 3.02 0.34 -3.43 115.26 112.74 1a45 n ASN 49 Ca 0.08 0.08 -0.19 0.00 -0.03 0.00 0.00 54.58 54.52 1a45 n ASN 49 Cb 0.53 -2.55 0.02 0.00 -0.61 0.00 0.00 39.78 37.17 1a45 n ASN 49 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1a45 n PHE 50 N -3.57 -1.39 -3.61 3.10 3.72 -1.25 -5.01 117.46 109.46 1a45 n PHE 50 Ca -0.11 0.28 -0.21 0.00 -0.05 0.00 0.00 57.45 57.36 1a45 n PHE 50 Cb 0.50 -3.89 -0.03 0.00 -0.94 0.00 0.00 39.48 35.11 1a45 n PHE 50 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1a45 s GLN 51 N -5.30 2.51 2.07 -1.08 -1.52 -1.22 -4.99 119.66 110.14 1a45 s GLN 51 Ca 0.16 -1.56 0.00 0.00 -1.95 0.00 0.00 55.36 52.02 1a45 s GLN 51 Cb -0.07 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 1a45 s GLN 51 CO 0.20 -0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.46 1a45 n GLY 52 N -1.52 -0.99 3.68 3.09 0.00 -1.26 -2.59 105.19 105.60 1a45 n GLY 52 Ca 0.03 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.41 1a45 n GLY 52 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a45 n PRO 53 N -0.13 2.10 -4.20 1.61 -0.02 -1.26 -4.69 135.00 128.40 1a45 n PRO 53 Ca 0.00 0.75 -0.28 0.00 -2.02 0.00 0.00 63.50 61.95 1a45 n PRO 53 Cb 0.00 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.00 1a45 n PRO 53 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1a45 s GLN 54 N -0.72 2.35 -0.14 -0.52 -0.21 -1.25 -1.19 119.66 117.97 1a45 s GLN 54 Ca 0.65 -1.07 -0.06 0.00 0.02 0.00 0.00 55.36 54.90 1a45 s GLN 54 Cb -0.62 -2.36 0.06 0.00 1.00 0.00 0.00 33.01 31.09 1a45 s GLN 54 CO 0.52 0.47 0.31 0.71 -2.12 0.00 0.00 175.29 175.19 1a45 s TYR 55 N -1.59 -0.47 -0.11 0.91 2.02 0.41 -4.36 117.35 114.16 1a45 s TYR 55 Ca 0.26 1.03 -0.19 0.00 -0.37 0.00 0.00 57.07 57.81 1a45 s TYR 55 Cb -0.10 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1a45 s TYR 55 CO 0.17 -0.31 0.51 0.12 -1.57 0.00 0.00 175.55 174.47 1a45 s PHE 56 N 1.68 3.52 0.04 2.71 5.36 -1.26 0.10 117.98 130.13 1a45 s PHE 56 Ca -0.06 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 56.87 1a45 s PHE 56 Cb -0.10 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 39.96 1a45 s PHE 56 CO -0.10 0.15 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.22 1a45 s LEU 57 N 0.68 2.24 0.00 6.12 1.02 -0.54 -4.99 118.68 123.22 1a45 s LEU 57 Ca 0.28 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.93 1a45 s LEU 57 Cb -0.15 -0.17 -0.01 0.00 0.02 0.00 0.00 46.19 45.87 1a45 s LEU 57 CO 0.11 -0.19 0.12 0.54 0.02 0.00 0.00 176.35 176.95 1a45 n ARG 58 N 1.53 0.35 -1.60 1.70 1.74 -1.26 -0.58 116.66 118.54 1a45 n ARG 58 Ca -0.22 -1.68 -0.52 0.00 -0.77 0.00 0.00 57.85 54.66 1a45 n ARG 58 Cb 0.55 1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 33.18 1a45 n ARG 58 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1a45 n ARG 59 N -0.36 1.23 0.00 5.56 0.63 -1.26 -4.65 116.66 117.82 1a45 n ARG 59 Ca 0.02 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1a45 n ARG 59 Cb 0.30 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1a45 n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a45 n GLY 60 N 2.64 2.69 3.35 5.14 0.00 -1.06 -5.00 105.19 112.96 1a45 n GLY 60 Ca 0.18 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1a45 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a45 s ASP 61 N 0.00 4.00 -0.38 1.61 1.11 -1.26 -2.24 116.67 119.51 1a45 s ASP 61 Ca 0.00 -0.35 -0.01 0.00 0.18 0.00 0.00 52.55 52.37 1a45 s ASP 61 Cb 0.00 -1.62 0.10 0.00 1.07 0.00 0.00 42.92 42.47 1a45 s ASP 61 CO 0.00 0.13 0.14 -0.31 1.18 0.00 0.00 175.17 176.31 1a45 s TYR 62 N 0.53 3.61 0.05 4.23 1.51 -0.26 -4.96 117.35 122.07 1a45 s TYR 62 Ca -0.08 -2.54 0.26 0.00 -1.01 0.00 0.00 57.07 53.69 1a45 s TYR 62 Cb -0.16 -3.03 0.91 0.00 -0.11 0.00 0.00 41.96 39.58 1a45 s TYR 62 CO 0.04 -0.95 1.82 -1.35 -1.11 0.00 0.00 175.55 173.99 1a45 h PRO 63 N 7.91 0.00 -3.67 -1.71 0.11 -1.89 -2.10 132.00 130.65 1a45 h PRO 63 Ca -0.11 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.77 1a45 h PRO 63 Cb 1.04 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.87 1a45 h PRO 63 CO 0.63 0.17 -0.69 0.34 -0.21 0.00 0.00 178.00 178.24 1a45 s ASP 64 N -6.09 -0.02 0.00 -2.05 2.15 -1.26 -0.77 116.67 108.62 1a45 s ASP 64 Ca 0.02 0.05 0.03 0.00 0.43 0.00 0.00 52.55 53.07 1a45 s ASP 64 Cb 0.09 0.05 0.16 0.00 -0.30 0.00 0.00 42.92 42.92 1a45 s ASP 64 CO 0.63 -0.01 0.62 0.00 -0.17 0.00 0.00 175.17 176.24 1a45 n TYR 65 N 3.07 0.00 0.69 -5.34 0.18 -1.24 -0.82 117.16 113.70 1a45 n TYR 65 Ca -0.12 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.78 1a45 n TYR 65 Cb 0.60 0.00 0.14 0.00 -0.38 0.00 0.00 39.34 39.69 1a45 n TYR 65 CO 0.00 0.00 0.00 0.94 -2.08 0.00 0.00 176.86 175.72 1a45 n GLN 66 N -0.97 0.21 0.15 -3.48 -0.06 -1.26 -1.89 117.38 110.07 1a45 n GLN 66 Ca 0.02 0.03 0.11 0.00 -2.00 0.00 0.00 57.00 55.16 1a45 n GLN 66 Cb 0.01 -1.60 0.55 0.00 -4.06 0.00 0.00 30.24 25.13 1a45 n GLN 66 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1a45 n GLN 67 N -1.89 0.16 -0.14 3.69 3.00 0.00 -1.54 117.38 120.66 1a45 n GLN 67 Ca 0.03 0.55 0.04 0.00 -0.01 0.00 0.00 57.00 57.62 1a45 n GLN 67 Cb 0.41 -1.92 0.05 0.00 0.00 0.00 0.00 30.24 28.78 1a45 n GLN 67 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 1a45 n TRP 68 N -2.25 0.00 -2.82 1.08 2.14 -1.25 -5.00 117.44 109.35 1a45 n TRP 68 Ca -0.00 -0.49 -0.13 0.00 2.07 0.00 0.00 57.50 58.94 1a45 n TRP 68 Cb 0.11 -0.08 0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1a45 n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 1a45 n MET 69 N -0.66 -3.34 -2.10 -2.67 2.81 -0.59 -4.87 117.12 105.70 1a45 n MET 69 Ca 0.06 0.51 -0.42 0.00 -1.81 0.00 0.00 57.70 56.05 1a45 n MET 69 Cb 0.54 -4.55 -0.03 0.00 -0.71 0.00 0.00 33.22 28.47 1a45 n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a45 s GLY 70 N -2.93 2.18 0.28 3.03 0.00 -0.80 -4.90 107.32 104.18 1a45 s GLY 70 Ca 0.22 1.22 0.07 0.00 0.00 0.00 0.00 44.72 46.23 1a45 s GLY 70 CO 0.27 2.28 1.64 1.41 0.00 0.00 0.00 173.10 178.70 1a45 h LEU 71 N 5.77 0.17 0.00 0.66 4.07 -1.93 -3.45 115.31 120.60 1a45 h LEU 71 Ca -0.44 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.43 1a45 h LEU 71 Cb 1.21 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1a45 h LEU 71 CO 0.81 0.67 0.00 -0.46 -1.08 0.00 0.00 178.44 178.38 1a45 n ASN 72 N -3.92 0.00 -2.11 -0.43 0.23 -1.26 -5.08 115.26 102.68 1a45 n ASN 72 Ca -0.02 -0.55 -0.17 0.00 -0.53 0.00 0.00 54.58 53.31 1a45 n ASN 72 Cb 0.55 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.47 1a45 n ASN 72 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1a45 n ASP 73 N -0.49 4.08 -4.75 0.53 5.75 -1.26 -4.95 116.55 115.46 1a45 n ASP 73 Ca 0.00 -3.41 -0.35 0.00 -0.01 0.00 0.00 54.79 51.01 1a45 n ASP 73 Cb 0.00 -0.80 -0.08 0.00 -1.03 0.00 0.00 41.12 39.22 1a45 n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1a45 s SER 74 N -1.11 6.24 -0.26 -1.12 0.01 -1.26 -1.31 113.70 114.90 1a45 s SER 74 Ca 0.54 0.28 -0.02 0.00 1.31 0.00 0.00 55.95 58.05 1a45 s SER 74 Cb 0.45 -2.09 0.11 0.00 0.21 0.00 0.00 66.02 64.70 1a45 s SER 74 CO 0.11 0.21 0.24 -0.63 0.41 0.00 0.00 173.24 173.58 1a45 s ILE 75 N 0.18 -0.32 -0.75 1.44 -1.09 -1.26 -4.36 121.20 115.05 1a45 s ILE 75 Ca 0.09 -0.39 0.07 0.00 -2.23 0.00 0.00 60.65 58.19 1a45 s ILE 75 Cb -0.11 -0.87 0.03 0.00 -1.58 0.00 0.00 42.46 39.93 1a45 s ILE 75 CO -0.01 -0.41 0.64 0.54 -1.23 0.00 0.00 174.94 174.47 1a45 n ARG 76 N 5.30 0.76 -3.49 2.79 1.74 -0.36 -4.75 116.66 118.65 1a45 n ARG 76 Ca -0.04 -0.76 -0.13 0.00 -0.77 0.00 0.00 57.85 56.15 1a45 n ARG 76 Cb 0.47 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 1a45 n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1a45 s SER 77 N -0.72 -0.53 0.03 0.55 1.04 -1.22 -0.39 113.70 112.46 1a45 s SER 77 Ca 0.07 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.51 1a45 s SER 77 Cb 0.05 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1a45 s SER 77 CO 0.11 -0.83 0.32 0.00 0.98 0.00 0.00 173.24 173.81 1a45 s ARG 79 N -2.20 0.66 -0.20 0.00 0.52 -0.46 -1.75 118.95 115.53 1a45 s ARG 79 Ca -0.07 -0.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.76 1a45 s ARG 79 Cb -0.02 -0.65 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 1a45 s ARG 79 CO -0.01 0.07 0.49 -1.17 0.02 0.00 0.00 175.30 174.70 1a45 s LEU 80 N 0.21 4.15 -0.26 2.53 0.20 -1.26 -1.22 118.68 123.03 1a45 s LEU 80 Ca -0.03 0.64 -0.25 0.00 0.69 0.00 0.00 54.13 55.18 1a45 s LEU 80 Cb -0.07 -2.66 -0.00 0.00 -0.43 0.00 0.00 46.19 43.03 1a45 s LEU 80 CO -0.00 -0.15 0.85 -0.63 -0.29 0.00 0.00 176.35 176.13 1a45 s ILE 81 N 1.52 4.80 1.16 6.68 1.01 -0.33 -4.95 121.20 131.09 1a45 s ILE 81 Ca 0.23 1.51 -0.13 0.00 0.00 0.00 0.00 60.65 62.26 1a45 s ILE 81 Cb -0.15 -4.15 0.28 0.00 0.01 0.00 0.00 42.46 38.45 1a45 s ILE 81 CO 0.09 -0.15 1.03 -2.16 0.00 0.00 0.00 174.94 173.75 1a45 s PRO 82 N 2.95 -0.92 -0.22 2.79 0.04 -1.26 -4.47 135.00 133.90 1a45 s PRO 82 Ca 0.35 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 1a45 s PRO 82 Cb -0.15 -1.55 0.01 0.00 0.04 0.00 0.00 34.50 32.85 1a45 s PRO 82 CO 0.09 -3.74 1.04 -1.58 0.04 0.00 0.00 177.00 172.84 1a45 s HIS 83 N -2.44 3.35 0.32 0.56 2.46 -1.26 -4.97 115.29 113.31 1a45 s HIS 83 Ca 0.69 1.48 -0.10 0.00 0.47 0.00 0.00 55.06 57.60 1a45 s HIS 83 Cb -0.25 -3.26 -0.07 0.00 -0.13 0.00 0.00 32.58 28.87 1a45 s HIS 83 CO 0.65 -0.46 0.66 0.99 -2.47 0.00 0.00 174.74 174.10 1a45 s THR 84 N 3.10 4.86 -0.28 0.89 2.01 -1.26 -5.05 115.64 119.91 1a45 s THR 84 Ca 0.44 0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.96 1a45 s THR 84 Cb -0.15 -3.68 0.08 0.00 0.01 0.00 0.00 72.50 68.75 1a45 s THR 84 CO 0.07 -0.30 -0.01 -0.83 -0.69 0.00 0.00 174.62 172.86 1a45 s GLY 86 N -2.80 1.49 0.33 4.40 0.00 -1.26 -5.02 107.32 104.46 1a45 s GLY 86 Ca 0.49 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1a45 s GLY 86 CO 0.26 0.99 0.00 1.44 0.00 0.00 0.00 173.10 175.79 1a45 n SER 87 N 4.55 -5.60 -4.18 1.64 7.64 -1.26 -4.78 113.62 111.63 1a45 n SER 87 Ca -0.06 0.84 -0.28 0.00 1.01 0.00 0.00 58.87 60.38 1a45 n SER 87 Cb 0.43 -2.61 -0.16 0.00 -1.01 0.00 0.00 64.21 60.86 1a45 n SER 87 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1a45 s HIS 88 N -3.26 1.93 -0.21 1.43 0.09 -1.26 -3.90 115.29 110.11 1a45 s HIS 88 Ca 0.00 -0.55 -0.08 0.00 -0.00 0.00 0.00 55.06 54.43 1a45 s HIS 88 Cb 0.00 -1.28 0.10 0.00 -0.00 0.00 0.00 32.58 31.39 1a45 s HIS 88 CO 0.00 -0.17 0.46 0.50 -0.00 0.00 0.00 174.74 175.53 1a45 s ARG 89 N -0.05 0.38 -0.00 1.40 6.06 -0.35 -4.51 118.95 121.88 1a45 s ARG 89 Ca -0.03 1.09 -0.04 0.00 -2.50 0.00 0.00 55.73 54.25 1a45 s ARG 89 Cb -0.12 0.40 -0.00 0.00 0.06 0.00 0.00 34.95 35.29 1a45 s ARG 89 CO 0.02 -0.24 0.07 -1.17 -2.50 0.00 0.00 175.30 171.49 1a45 s LEU 90 N 2.57 1.80 -0.08 -0.88 2.96 -0.92 -1.13 118.68 123.00 1a45 s LEU 90 Ca -0.03 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1a45 s LEU 90 Cb -0.12 0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.95 1a45 s LEU 90 CO -0.14 -0.26 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.40 1a45 s ARG 91 N -1.06 2.85 -0.15 1.98 0.52 -0.60 -0.63 118.95 121.86 1a45 s ARG 91 Ca -0.12 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 1a45 s ARG 91 Cb -0.07 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.83 1a45 s ARG 91 CO 0.00 0.56 -0.16 0.42 0.02 0.00 0.00 175.30 176.14 1a45 s ILE 92 N -0.54 2.60 0.10 1.52 1.01 -0.09 -1.94 121.20 123.87 1a45 s ILE 92 Ca 0.08 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1a45 s ILE 92 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1a45 s ILE 92 CO 0.02 0.52 0.06 -0.31 0.00 0.00 0.00 174.94 175.23 1a45 s TYR 93 N 0.72 3.10 0.04 3.97 1.51 -0.28 -1.58 117.35 124.83 1a45 s TYR 93 Ca -0.07 0.02 -0.18 0.00 -1.01 0.00 0.00 57.07 55.82 1a45 s TYR 93 Cb -0.16 -1.56 -0.17 0.00 -0.11 0.00 0.00 41.96 39.96 1a45 s TYR 93 CO 0.01 0.51 1.25 1.49 -1.11 0.00 0.00 175.55 177.70 1a45 h GLU 94 N 3.17 0.49 -5.75 -0.62 4.81 -1.34 -1.39 114.58 113.96 1a45 h GLU 94 Ca -0.47 -0.37 -0.60 0.00 -0.13 0.00 0.00 59.36 57.79 1a45 h GLU 94 Cb 1.17 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.52 1a45 h GLU 94 CO 0.63 0.99 -0.52 1.03 -0.73 0.00 0.00 179.01 180.42 1a45 s ARG 95 N -3.80 2.15 0.93 1.92 0.52 -0.86 -2.81 118.95 116.99 1a45 s ARG 95 Ca -0.13 -2.00 -0.11 0.00 -0.52 0.00 0.00 55.73 52.96 1a45 s ARG 95 Cb 0.05 -1.83 0.15 0.00 0.52 0.00 0.00 34.95 33.84 1a45 s ARG 95 CO 0.81 -0.16 1.09 -1.21 0.02 0.00 0.00 175.30 175.85 1a45 s GLU 96 N -3.87 0.97 -1.40 3.54 2.02 -1.26 -3.47 118.70 115.23 1a45 s GLU 96 Ca 0.35 1.01 -0.11 0.00 0.02 0.00 0.00 54.97 56.24 1a45 s GLU 96 Cb 0.05 -1.76 0.08 0.00 0.10 0.00 0.00 34.13 32.59 1a45 s GLU 96 CO 0.19 -2.49 0.62 -0.25 0.02 0.00 0.00 175.26 173.35 1a45 n ASP 97 N -4.08 -4.15 -2.57 -0.19 8.00 -0.99 -2.15 116.55 110.41 1a45 n ASP 97 Ca 0.08 -0.51 -0.19 0.00 0.71 0.00 0.00 54.79 54.88 1a45 n ASP 97 Cb 0.54 -3.39 0.03 0.00 -0.02 0.00 0.00 41.12 38.28 1a45 n ASP 97 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a45 n TYR 98 N -4.18 -1.66 -2.85 1.24 4.01 -1.25 -5.03 117.16 107.45 1a45 n TYR 98 Ca -0.00 0.44 -0.21 0.00 -0.16 0.00 0.00 57.90 57.97 1a45 n TYR 98 Cb 0.54 -3.97 0.07 0.00 -0.31 0.00 0.00 39.34 35.67 1a45 n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1a45 s ARG 99 N -5.51 2.18 1.57 -0.72 1.81 -0.92 -4.97 118.95 112.40 1a45 s ARG 99 Ca 0.25 -1.36 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 1a45 s ARG 99 Cb -0.11 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.84 1a45 s ARG 99 CO 0.31 -0.98 0.00 0.41 -0.68 0.00 0.00 175.30 174.37 1a45 n GLY 100 N -2.40 -1.32 3.67 -3.53 0.00 -1.26 -2.03 105.19 98.31 1a45 n GLY 100 Ca 0.14 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1a45 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a45 s GLN 101 N -0.19 0.71 0.18 1.61 -0.21 -1.26 -4.68 119.66 115.81 1a45 s GLN 101 Ca 0.00 0.85 -0.17 0.00 0.02 0.00 0.00 55.36 56.07 1a45 s GLN 101 Cb 0.00 -1.74 0.03 0.00 1.00 0.00 0.00 33.01 32.30 1a45 s GLN 101 CO 0.00 -2.63 0.48 0.00 -2.12 0.00 0.00 175.29 171.02 1a45 s MET 102 N -4.82 1.29 0.07 2.91 0.23 -1.26 -1.69 119.30 116.02 1a45 s MET 102 Ca 0.65 -0.84 0.00 0.00 -1.03 0.00 0.00 55.69 54.48 1a45 s MET 102 Cb -0.20 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1a45 s MET 102 CO 0.59 -0.54 -0.05 0.14 -2.03 0.00 0.00 175.02 173.13 1a45 s VAL 103 N -3.86 0.44 -0.20 5.16 -7.23 -0.61 -4.98 120.40 109.11 1a45 s VAL 103 Ca 0.08 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1a45 s VAL 103 Cb -0.00 -1.42 0.03 0.00 0.56 0.00 0.00 36.38 35.55 1a45 s VAL 103 CO -0.05 -0.86 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.02 1a45 s GLU 104 N -3.50 2.59 0.16 4.82 2.12 -1.26 -0.92 118.70 122.72 1a45 s GLU 104 Ca 0.06 -0.91 0.05 0.00 0.36 0.00 0.00 54.97 54.53 1a45 s GLU 104 Cb 0.04 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 1a45 s GLU 104 CO -0.06 -0.32 0.13 0.96 -0.54 0.00 0.00 175.26 175.43 1a45 s ILE 105 N 1.29 4.47 0.00 -3.70 -4.36 0.20 -4.98 121.20 114.12 1a45 s ILE 105 Ca 0.01 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 1a45 s ILE 105 Cb -0.15 -3.28 0.00 0.00 1.25 0.00 0.00 42.46 40.28 1a45 s ILE 105 CO -0.10 -0.11 0.25 0.41 0.24 0.00 0.00 174.94 175.63 1a45 n THR 106 N -0.34 0.00 -4.16 8.37 -1.04 -1.26 -2.17 114.28 113.68 1a45 n THR 106 Ca -0.08 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.05 61.42 1a45 n THR 106 Cb 0.55 1.12 -0.04 0.00 -1.82 0.00 0.00 70.33 70.14 1a45 n THR 106 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1a45 n GLU 107 N -0.30 0.26 -2.27 -2.82 0.00 -1.26 -4.67 120.64 109.58 1a45 n GLU 107 Ca 0.00 -1.77 -0.41 0.00 0.00 0.00 0.00 57.16 54.99 1a45 n GLU 107 Cb 0.03 1.41 -0.03 0.00 0.00 0.00 0.00 31.44 32.85 1a45 n GLU 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1a45 s ASP 108 N -2.24 6.97 -0.20 -1.84 1.01 -1.26 -4.83 116.67 114.29 1a45 s ASP 108 Ca 0.20 2.45 -0.00 0.00 0.71 0.00 0.00 52.55 55.91 1a45 s ASP 108 Cb 0.01 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.36 1a45 s ASP 108 CO 0.14 -0.41 -0.04 0.00 0.21 0.00 0.00 175.17 175.07 1a45 n SER 110 N 4.82 0.33 -3.46 0.00 3.41 -1.26 -0.99 113.62 116.48 1a45 n SER 110 Ca -0.12 -0.18 -0.15 0.00 -0.26 0.00 0.00 58.87 58.16 1a45 n SER 110 Cb 0.46 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1a45 n SER 110 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a45 s SER 111 N -2.74 0.92 -0.15 4.04 0.01 -1.25 -0.86 113.70 113.67 1a45 s SER 111 Ca 0.21 -0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 1a45 s SER 111 Cb 0.19 0.66 -0.24 0.00 0.21 0.00 0.00 66.02 66.84 1a45 s SER 111 CO 0.54 -0.31 0.33 0.18 0.41 0.00 0.00 173.24 174.38 1a45 n LEU 112 N 5.34 2.39 0.21 2.44 4.32 -0.95 -3.92 117.00 126.83 1a45 n LEU 112 Ca -0.05 0.28 0.15 0.00 -0.02 0.00 0.00 56.01 56.37 1a45 n LEU 112 Cb 0.50 -1.08 0.55 0.00 -1.62 0.00 0.00 43.42 41.77 1a45 n LEU 112 CO 0.07 0.67 0.92 0.45 -1.22 0.00 0.00 177.39 178.28 1a45 h HIS 113 N -0.27 0.00 -0.04 -1.77 3.86 -1.83 -3.27 115.15 111.83 1a45 h HIS 113 Ca -0.40 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.72 1a45 h HIS 113 Cb 1.81 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 30.13 1a45 h HIS 113 CO 0.08 0.00 -0.70 -0.40 0.86 0.00 0.00 177.93 177.78 1a45 n ASP 114 N -2.72 1.62 -0.04 2.45 5.68 -1.26 -4.23 116.55 118.05 1a45 n ASP 114 Ca 0.02 -3.26 -0.04 0.00 -0.50 0.00 0.00 54.79 51.01 1a45 n ASP 114 Cb 0.31 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 39.78 1a45 n ASP 114 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1a45 n ARG 115 N -0.58 2.50 -3.45 0.11 0.00 -1.23 -5.06 116.66 108.94 1a45 n ARG 115 Ca 0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.78 1a45 n ARG 115 Cb 0.85 -1.20 0.03 0.00 0.00 0.00 0.00 32.46 32.15 1a45 n ARG 115 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1a45 s PHE 116 N -2.19 1.36 -0.61 -0.14 0.08 -1.26 -5.01 117.98 110.22 1a45 s PHE 116 Ca -0.05 -0.82 0.21 0.00 0.12 0.00 0.00 56.93 56.39 1a45 s PHE 116 Cb 0.02 -2.05 0.89 0.00 -0.57 0.00 0.00 43.02 41.32 1a45 s PHE 116 CO 0.31 -0.90 1.65 -2.39 -0.10 0.00 0.00 175.22 173.78 1a45 n HIS 117 N -2.06 0.60 -4.23 0.36 1.44 -1.26 -4.67 115.22 105.40 1a45 n HIS 117 Ca 0.08 0.24 -0.20 0.00 -2.01 0.00 0.00 57.72 55.83 1a45 n HIS 117 Cb 0.63 -0.88 -0.12 0.00 0.12 0.00 0.00 29.99 29.73 1a45 n HIS 117 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1a45 s PHE 118 N -3.24 1.35 -0.14 -1.40 -0.12 -1.26 -5.07 117.98 108.10 1a45 s PHE 118 Ca 0.05 -0.43 0.12 0.00 -0.05 0.00 0.00 56.93 56.61 1a45 s PHE 118 Cb 0.09 -0.76 -0.23 0.00 -0.63 0.00 0.00 43.02 41.48 1a45 s PHE 118 CO 0.36 0.09 0.28 -1.13 -0.05 0.00 0.00 175.22 174.76 1a45 n SER 119 N 1.34 0.78 -4.74 1.98 3.41 -1.26 -4.80 113.62 110.32 1a45 n SER 119 Ca -0.20 0.16 -0.40 0.00 -0.26 0.00 0.00 58.87 58.16 1a45 n SER 119 Cb 0.54 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.68 1a45 n SER 119 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1a45 s GLU 120 N -2.54 4.80 -0.13 4.33 2.02 -1.26 -4.52 118.70 121.39 1a45 s GLU 120 Ca -0.12 1.46 -0.02 0.00 0.02 0.00 0.00 54.97 56.31 1a45 s GLU 120 Cb 0.07 -3.31 0.04 0.00 0.10 0.00 0.00 34.13 31.03 1a45 s GLU 120 CO 0.79 0.43 0.01 0.42 0.02 0.00 0.00 175.26 176.93 1a45 s ILE 121 N -0.82 0.51 0.00 -1.63 1.01 -1.25 -4.24 121.20 114.78 1a45 s ILE 121 Ca 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1a45 s ILE 121 Cb -0.25 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1a45 s ILE 121 CO 0.31 0.05 0.00 1.41 0.00 0.00 0.00 174.94 176.71 1a45 n HIS 122 N 5.08 0.00 -3.70 3.97 8.25 -0.53 -4.97 115.22 123.32 1a45 n HIS 122 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1a45 n HIS 122 Cb 0.49 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 1a45 n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1a45 s SER 123 N -0.73 -0.15 -0.00 0.41 1.04 -1.20 -4.44 113.70 108.64 1a45 s SER 123 Ca 0.00 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 1a45 s SER 123 Cb 0.00 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 1a45 s SER 123 CO 0.00 -0.76 0.02 -0.36 0.98 0.00 0.00 173.24 173.11 1a45 s PHE 124 N -3.45 0.03 -0.24 5.02 0.08 -0.43 -1.13 117.98 117.86 1a45 s PHE 124 Ca 0.01 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1a45 s PHE 124 Cb 0.02 -0.03 0.06 0.00 -0.57 0.00 0.00 43.02 42.50 1a45 s PHE 124 CO -0.09 -0.05 -0.07 1.21 -0.10 0.00 0.00 175.22 176.11 1a45 s ASN 125 N -0.31 4.04 -0.87 1.36 2.47 -0.82 -1.32 114.94 119.50 1a45 s ASN 125 Ca -0.03 -1.25 -0.23 0.00 0.42 0.00 0.00 52.86 51.77 1a45 s ASN 125 Cb -0.02 -1.30 0.06 0.00 -1.45 0.00 0.00 41.25 38.54 1a45 s ASN 125 CO -0.00 -0.22 1.26 -0.69 -3.72 0.00 0.00 177.10 173.73 1a45 s VAL 126 N 1.30 4.09 0.17 -5.21 1.01 -0.34 -1.56 120.40 119.86 1a45 s VAL 126 Ca -0.07 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1a45 s VAL 126 Cb -0.19 -4.91 -0.02 0.00 0.00 0.00 0.00 36.38 31.26 1a45 s VAL 126 CO -0.06 -1.76 1.53 -0.07 0.00 0.00 0.00 175.10 174.74 1a45 h LEU 127 N 12.17 0.90 -7.08 3.92 4.07 -1.53 -2.04 115.31 125.72 1a45 h LEU 127 Ca -0.01 -0.39 -0.04 0.00 0.08 0.00 0.00 57.88 57.51 1a45 h LEU 127 Cb 1.03 -0.25 -0.22 0.00 1.08 0.00 0.00 40.66 42.30 1a45 h LEU 127 CO 1.29 1.16 -0.03 -0.70 -1.08 0.00 0.00 178.44 179.07 1a45 s GLU 128 N -4.43 0.67 0.00 1.13 2.12 -0.28 -4.93 118.70 112.98 1a45 s GLU 128 Ca -0.10 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1a45 s GLU 128 Cb 0.12 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1a45 s GLU 128 CO 0.86 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.87 1a45 n GLY 129 N 3.56 -1.15 3.77 -1.50 0.00 -1.25 -1.21 105.19 107.40 1a45 n GLY 129 Ca -0.18 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1a45 n GLY 129 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a45 s TRP 130 N -2.75 3.51 0.18 1.61 0.52 -1.26 -3.96 118.94 116.80 1a45 s TRP 130 Ca 0.00 0.59 0.08 0.00 0.02 0.00 0.00 56.10 56.80 1a45 s TRP 130 Cb 0.00 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 1a45 s TRP 130 CO 0.00 0.38 -0.17 -1.58 0.02 0.00 0.00 176.95 175.60 1a45 s TRP 131 N -0.00 1.81 -0.11 -1.98 0.52 -0.42 -2.19 118.94 116.57 1a45 s TRP 131 Ca 0.16 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.80 1a45 s TRP 131 Cb -0.13 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.30 1a45 s TRP 131 CO 0.04 0.36 -0.15 0.08 0.02 0.00 0.00 176.95 177.30 1a45 s VAL 132 N -2.35 2.89 -0.14 4.03 1.01 -0.19 -0.58 120.40 125.07 1a45 s VAL 132 Ca 0.19 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1a45 s VAL 132 Cb -0.04 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1a45 s VAL 132 CO 0.07 0.54 -0.04 -0.22 0.00 0.00 0.00 175.10 175.45 1a45 s LEU 133 N 0.14 3.26 0.14 3.92 1.98 0.44 -1.33 118.68 127.23 1a45 s LEU 133 Ca -0.08 -0.10 0.08 0.00 -2.89 0.00 0.00 54.13 51.15 1a45 s LEU 133 Cb -0.15 -1.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.89 1a45 s LEU 133 CO 0.05 0.21 -0.12 -0.31 -1.89 0.00 0.00 176.35 174.29 1a45 s TYR 134 N 0.11 2.64 -0.30 5.38 1.51 -0.22 -0.02 117.35 126.45 1a45 s TYR 134 Ca -0.01 -0.21 0.19 0.00 -1.01 0.00 0.00 57.07 56.03 1a45 s TYR 134 Cb -0.14 -1.35 0.20 0.00 -0.11 0.00 0.00 41.96 40.56 1a45 s TYR 134 CO 0.03 0.45 1.52 1.05 -1.11 0.00 0.00 175.55 177.48 1a45 h GLU 135 N 3.39 0.00 -5.89 -0.62 4.11 -1.31 0.15 114.58 114.42 1a45 h GLU 135 Ca -0.48 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.38 1a45 h GLU 135 Cb 1.18 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 1a45 h GLU 135 CO 0.51 0.24 -0.45 -1.64 0.07 0.00 0.00 179.01 177.74 1a45 s MET 136 N -3.09 2.26 0.67 1.06 -1.94 -0.52 -2.09 119.30 115.66 1a45 s MET 136 Ca 0.05 -1.88 -0.11 0.00 -1.71 0.00 0.00 55.69 52.05 1a45 s MET 136 Cb 0.06 -2.02 -0.00 0.00 2.01 0.00 0.00 34.83 34.88 1a45 s MET 136 CO 0.71 -0.22 1.06 0.95 -0.01 0.00 0.00 175.02 177.51 1a45 s THR 137 N -2.63 3.92 -1.53 2.05 -4.23 -1.26 -1.93 115.64 110.03 1a45 s THR 137 Ca 0.38 0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 61.34 1a45 s THR 137 Cb 0.02 -3.61 0.08 0.00 1.34 0.00 0.00 72.50 70.33 1a45 s THR 137 CO 0.22 -0.80 0.98 -3.20 -0.54 0.00 0.00 174.62 171.28 1a45 n ASN 138 N -2.89 -4.89 -3.58 3.99 5.15 -0.04 -3.15 115.26 109.84 1a45 n ASN 138 Ca 0.06 -0.76 -0.22 0.00 -0.60 0.00 0.00 54.58 53.07 1a45 n ASN 138 Cb 0.56 -3.90 0.05 0.00 -0.53 0.00 0.00 39.78 35.96 1a45 n ASN 138 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1a45 n TYR 139 N -4.68 -2.05 -4.42 1.20 4.01 -1.26 -5.02 117.16 104.95 1a45 n TYR 139 Ca 0.04 0.76 -0.20 0.00 -0.16 0.00 0.00 57.90 58.34 1a45 n TYR 139 Cb 0.53 -4.18 -0.10 0.00 -0.31 0.00 0.00 39.34 35.28 1a45 n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1a45 s ARG 140 N -5.59 1.55 0.88 -0.72 1.81 -1.19 -5.05 118.95 110.64 1a45 s ARG 140 Ca 0.21 -1.82 0.00 0.00 -1.72 0.00 0.00 55.73 52.40 1a45 s ARG 140 Cb -0.05 -0.92 0.00 0.00 -0.45 0.00 0.00 34.95 33.53 1a45 s ARG 140 CO 0.80 -0.09 0.00 0.41 -0.68 0.00 0.00 175.30 175.75 1a45 n GLY 141 N -0.59 -2.12 3.66 -3.53 0.00 -1.26 -1.44 105.19 99.90 1a45 n GLY 141 Ca -0.04 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.07 1a45 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a45 n ARG 142 N -0.10 1.89 -4.34 1.61 5.12 -1.26 -4.64 116.66 114.95 1a45 n ARG 142 Ca 0.00 0.67 -0.34 0.00 -1.93 0.00 0.00 57.85 56.26 1a45 n ARG 142 Cb 0.00 -2.30 -0.09 0.00 -1.16 0.00 0.00 32.46 28.91 1a45 n ARG 142 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1a45 s GLN 143 N -0.47 2.89 -0.03 5.56 -0.21 -1.26 -1.50 119.66 124.64 1a45 s GLN 143 Ca 0.68 -0.50 -0.00 0.00 0.02 0.00 0.00 55.36 55.55 1a45 s GLN 143 Cb -0.68 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 30.63 1a45 s GLN 143 CO 0.51 0.67 0.03 0.71 -2.12 0.00 0.00 175.29 175.09 1a45 s TYR 144 N -0.98 0.08 0.11 0.91 2.02 0.97 -4.15 117.35 116.31 1a45 s TYR 144 Ca 0.16 0.14 -0.25 0.00 -0.37 0.00 0.00 57.07 56.76 1a45 s TYR 144 Cb -0.11 -0.33 -0.07 0.00 -0.40 0.00 0.00 41.96 41.05 1a45 s TYR 144 CO 0.06 -0.12 0.76 -1.17 -1.57 0.00 0.00 175.55 173.51 1a45 s LEU 145 N 1.37 4.53 -0.19 -1.29 1.98 -1.26 -0.42 118.68 123.39 1a45 s LEU 145 Ca -0.05 1.55 0.01 0.00 -2.89 0.00 0.00 54.13 52.75 1a45 s LEU 145 Cb -0.13 -3.25 0.03 0.00 0.66 0.00 0.00 46.19 43.50 1a45 s LEU 145 CO -0.03 0.13 -0.15 -0.76 -1.89 0.00 0.00 176.35 173.65 1a45 s LEU 146 N -0.69 2.33 0.30 -0.68 1.43 0.26 -4.94 118.68 116.69 1a45 s LEU 146 Ca 0.37 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1a45 s LEU 146 Cb -0.22 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1a45 s LEU 146 CO 0.25 -0.08 0.40 0.00 0.23 0.00 0.00 176.35 177.15 1a45 s ARG 147 N 1.31 3.17 -0.23 1.70 3.03 -1.26 -1.31 118.95 125.36 1a45 s ARG 147 Ca 0.01 -0.96 -0.39 0.00 2.03 0.00 0.00 55.73 56.42 1a45 s ARG 147 Cb -0.15 -2.80 -0.15 0.00 -1.03 0.00 0.00 34.95 30.82 1a45 s ARG 147 CO -0.10 0.20 1.73 -2.30 -1.13 0.00 0.00 175.30 173.70 1a45 n PRO 148 N -1.52 1.28 -3.98 3.89 -0.02 -1.25 -4.76 135.00 128.63 1a45 n PRO 148 Ca -0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1a45 n PRO 148 Cb 0.58 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1a45 n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a45 n GLY 149 N 4.11 -1.13 3.88 -1.23 0.00 -0.77 -4.97 105.19 105.07 1a45 n GLY 149 Ca 0.25 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1a45 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a45 s ASP 150 N -4.00 6.49 -0.39 1.61 1.01 -1.26 -1.20 116.67 118.93 1a45 s ASP 150 Ca 0.00 0.56 0.08 0.00 0.71 0.00 0.00 52.55 53.90 1a45 s ASP 150 Cb 0.00 -2.10 0.25 0.00 1.01 0.00 0.00 42.92 42.08 1a45 s ASP 150 CO 0.00 0.32 0.51 -1.22 0.21 0.00 0.00 175.17 174.99 1a45 n TYR 151 N 1.48 -0.35 -0.18 4.23 4.01 -0.43 -4.97 117.16 120.94 1a45 n TYR 151 Ca -0.14 -3.55 -0.10 0.00 -0.16 0.00 0.00 57.90 53.94 1a45 n TYR 151 Cb 0.53 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1a45 n TYR 151 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a45 h ARG 152 N 4.10 1.04 -6.21 -0.72 3.08 -1.90 -1.14 114.38 112.63 1a45 h ARG 152 Ca 0.08 -0.39 -0.57 0.00 0.07 0.00 0.00 59.98 59.17 1a45 h ARG 152 Cb 0.88 -0.06 -0.19 0.00 0.08 0.00 0.00 29.97 30.67 1a45 h ARG 152 CO 0.46 1.08 -0.81 1.03 -1.07 0.00 0.00 179.97 180.66 1a45 s ARG 153 N -4.83 1.28 0.43 0.04 1.81 -1.26 -2.36 118.95 114.06 1a45 s ARG 153 Ca -0.11 -1.35 0.15 0.00 -1.72 0.00 0.00 55.73 52.69 1a45 s ARG 153 Cb 0.13 -1.49 1.03 0.00 -0.45 0.00 0.00 34.95 34.17 1a45 s ARG 153 CO 0.87 0.32 1.94 0.10 -0.68 0.00 0.00 175.30 177.85 1a45 h TYR 154 N 3.54 0.48 -0.27 -0.53 -0.00 -1.87 -0.88 116.97 117.44 1a45 h TYR 154 Ca -0.45 0.01 0.05 0.00 0.00 0.00 0.00 58.73 58.34 1a45 h TYR 154 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 36.73 37.76 1a45 h TYR 154 CO 0.66 0.20 0.19 0.45 -0.00 0.00 0.00 178.16 179.65 1a45 h HIS 155 N 0.43 0.15 -0.09 0.10 -0.00 -1.91 -0.80 115.15 113.02 1a45 h HIS 155 Ca 0.34 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.74 1a45 h HIS 155 Cb 0.73 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1a45 h HIS 155 CO -0.00 0.08 0.08 -0.44 -0.00 0.00 0.00 177.93 177.65 1a45 h ASP 156 N 0.15 0.00 -0.64 2.45 3.32 -1.50 0.36 116.42 120.56 1a45 h ASP 156 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1a45 h ASP 156 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1a45 h ASP 156 CO -0.02 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 174.83 1a45 n TRP 157 N -4.14 1.16 -0.95 4.55 2.14 -0.31 -4.96 117.44 114.92 1a45 n TRP 157 Ca -0.01 -0.50 0.00 0.00 2.07 0.00 0.00 57.50 59.06 1a45 n TRP 157 Cb 0.19 -0.12 0.00 0.00 -0.81 0.00 0.00 31.31 30.57 1a45 n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1a45 n GLY 158 N 1.32 0.71 3.89 -1.67 0.00 0.12 -4.76 105.19 104.80 1a45 n GLY 158 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1a45 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a45 s ALA 159 N -2.80 3.36 -2.76 4.61 0.00 -1.22 -4.99 121.76 117.96 1a45 s ALA 159 Ca 0.00 -0.35 0.22 0.00 0.00 0.00 0.00 51.96 51.83 1a45 s ALA 159 Cb 0.00 -2.67 0.18 0.00 0.00 0.00 0.00 23.12 20.63 1a45 s ALA 159 CO 0.00 -0.23 1.21 0.25 0.00 0.00 0.00 175.76 176.98 1a45 n THR 160 N -1.90 0.01 -4.08 0.00 -2.24 -1.26 -4.27 114.28 100.55 1a45 n THR 160 Ca 0.02 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1a45 n THR 160 Cb 0.55 1.45 -0.07 0.00 -2.10 0.00 0.00 70.33 70.16 1a45 n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1a45 s ASN 161 N -1.84 0.15 0.00 3.42 2.20 -1.26 -5.08 114.94 112.54 1a45 s ASN 161 Ca 0.26 -1.17 0.24 0.00 -0.94 0.00 0.00 52.86 51.25 1a45 s ASN 161 Cb 0.19 0.53 0.62 0.00 -2.00 0.00 0.00 41.25 40.59 1a45 s ASN 161 CO 0.28 -1.07 1.50 0.00 -2.94 0.00 0.00 177.10 174.87 1a45 n ALA 162 N -0.38 2.50 -1.83 3.54 0.00 -1.26 -4.90 120.51 118.18 1a45 n ALA 162 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1a45 n ALA 162 Cb 0.63 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1a45 n ALA 162 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a45 s ARG 163 N -1.83 4.17 0.03 0.00 0.52 -1.26 -5.00 118.95 115.58 1a45 s ARG 163 Ca 0.34 2.44 0.02 0.00 -0.52 0.00 0.00 55.73 58.01 1a45 s ARG 163 Cb 0.20 -3.74 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 1a45 s ARG 163 CO 0.30 -0.82 -0.07 0.14 0.02 0.00 0.00 175.30 174.87 1a45 s VAL 164 N 3.13 0.50 0.00 3.52 -7.23 -1.19 -4.35 120.40 114.78 1a45 s VAL 164 Ca 0.78 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 1a45 s VAL 164 Cb -0.41 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1a45 s VAL 164 CO 0.35 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1a45 n GLY 165 N 1.75 0.00 3.36 2.32 0.00 0.52 -4.67 105.19 108.47 1a45 n GLY 165 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1a45 n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a45 s SER 166 N -1.16 -0.37 -0.04 1.61 1.04 -0.81 -2.23 113.70 111.73 1a45 s SER 166 Ca 0.00 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.40 1a45 s SER 166 Cb 0.00 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1a45 s SER 166 CO 0.00 -0.79 -0.03 -0.76 0.98 0.00 0.00 173.24 172.64 1a45 s LEU 167 N -2.36 1.23 -0.01 2.42 1.43 -0.16 -1.06 118.68 120.17 1a45 s LEU 167 Ca -0.02 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1a45 s LEU 167 Cb 0.00 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1a45 s LEU 167 CO -0.07 -0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.38 1a45 s ARG 168 N 1.01 0.53 0.21 1.70 1.70 -0.44 -1.24 118.95 122.42 1a45 s ARG 168 Ca -0.10 -0.17 -0.31 0.00 -0.47 0.00 0.00 55.73 54.68 1a45 s ARG 168 Cb -0.14 -0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 33.61 1a45 s ARG 168 CO -0.01 0.07 1.52 1.03 -1.08 0.00 0.00 175.30 176.83 1a45 s ARG 169 N 0.14 4.23 -0.88 3.89 0.52 -1.26 -1.03 118.95 124.56 1a45 s ARG 169 Ca -0.01 2.36 -0.25 0.00 -0.52 0.00 0.00 55.73 57.30 1a45 s ARG 169 Cb -0.05 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.32 1a45 s ARG 169 CO -0.00 -0.54 1.45 0.00 0.02 0.00 0.00 175.30 176.23 1a45 s ALA 170 N 0.63 2.61 0.03 2.13 0.00 -0.93 -4.86 121.76 121.38 1a45 s ALA 170 Ca 0.66 -1.77 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1a45 s ALA 170 Cb -0.43 -4.42 -0.03 0.00 0.00 0.00 0.00 23.12 18.24 1a45 s ALA 170 CO 0.37 -3.61 -0.01 0.54 0.00 0.00 0.00 175.76 173.05 1a45 s VAL 171 N 5.90 0.15 0.19 0.00 0.11 -1.26 -4.80 120.40 120.69 1a45 s VAL 171 Ca 0.45 -1.28 -0.30 0.00 -2.93 0.00 0.00 61.98 57.92 1a45 s VAL 171 Cb -0.04 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.90 1a45 s VAL 171 CO 0.02 -0.70 0.98 -0.62 -3.33 0.00 0.00 175.10 171.45 1a45 s ASP 172 N -2.11 7.51 -0.57 3.54 2.15 -1.26 -5.00 116.67 120.93 1a45 s ASP 172 Ca -0.06 1.94 0.04 0.00 0.43 0.00 0.00 52.55 54.90 1a45 s ASP 172 Cb -0.02 -2.60 0.16 0.00 -0.30 0.00 0.00 42.92 40.16 1a45 s ASP 172 CO -0.05 -0.00 0.39 -0.36 -0.17 0.00 0.00 175.17 174.98 1a45 s PHE 173 N -0.61 2.73 0.00 -5.34 0.08 -1.26 -5.17 117.98 108.42 1a45 s PHE 173 Ca 0.45 -2.95 0.00 0.00 0.12 0.00 0.00 56.93 54.55 1a45 s PHE 173 Cb -0.26 -2.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 1a45 s PHE 173 CO 0.32 -0.67 0.00 0.98 -0.10 0.00 0.00 175.22 175.75