#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4a s LYS 2 N 0.00 0.36 0.02 1.61 2.20 -0.43 -4.35 119.74 119.14 1h4a s LYS 2 Ca 0.00 0.74 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 1h4a s LYS 2 Cb 0.00 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 1h4a s LYS 2 CO 0.00 -0.16 -0.08 -1.50 -0.36 0.00 0.00 175.35 173.25 1h4a s ILE 3 N 1.35 0.62 -0.13 5.43 2.07 -0.57 -1.11 121.20 128.87 1h4a s ILE 3 Ca -0.09 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.49 1h4a s ILE 3 Cb -0.09 -0.59 0.01 0.00 0.13 0.00 0.00 42.46 41.92 1h4a s ILE 3 CO -0.12 -0.06 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.76 1h4a s THR 4 N -0.70 1.91 -0.14 4.00 2.01 -0.37 -1.09 115.64 121.27 1h4a s THR 4 Ca -0.02 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1h4a s THR 4 Cb -0.06 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1h4a s THR 4 CO 0.00 0.52 0.02 -0.76 -0.69 0.00 0.00 174.62 173.72 1h4a s LEU 5 N 0.86 3.65 0.02 4.42 1.43 -0.09 -1.25 118.68 127.72 1h4a s LEU 5 Ca -0.07 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1h4a s LEU 5 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1h4a s LEU 5 CO -0.02 0.26 -0.26 -0.31 0.23 0.00 0.00 176.35 176.25 1h4a s TYR 6 N -0.16 2.29 0.25 0.29 1.51 -0.19 -1.17 117.35 120.18 1h4a s TYR 6 Ca 0.06 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 1h4a s TYR 6 Cb -0.12 -1.42 0.29 0.00 -0.11 0.00 0.00 41.96 40.60 1h4a s TYR 6 CO 0.02 0.05 1.60 0.93 -1.11 0.00 0.00 175.55 177.04 1h4a h GLU 7 N 5.11 0.29 -6.19 -0.62 5.08 -1.12 -0.74 114.58 116.39 1h4a h GLU 7 Ca -0.45 -0.18 -0.53 0.00 -1.00 0.00 0.00 59.36 57.21 1h4a h GLU 7 Cb 1.13 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1h4a h GLU 7 CO 0.45 0.75 -0.57 -0.51 -1.00 0.00 0.00 179.01 178.13 1h4a s ASP 8 N -6.89 5.04 0.88 1.42 1.01 -0.82 -3.46 116.67 113.85 1h4a s ASP 8 Ca -0.05 -0.47 -0.11 0.00 0.71 0.00 0.00 52.55 52.64 1h4a s ASP 8 Cb 0.12 -1.10 0.12 0.00 1.01 0.00 0.00 42.92 43.08 1h4a s ASP 8 CO 0.80 -0.06 1.10 0.00 0.21 0.00 0.00 175.17 177.22 1h4a s ARG 9 N -3.78 1.33 -1.15 8.23 1.70 -1.26 -3.59 118.95 120.44 1h4a s ARG 9 Ca 0.33 1.15 0.00 0.00 -0.47 0.00 0.00 55.73 56.74 1h4a s ARG 9 Cb -0.07 -1.79 0.00 0.00 -0.57 0.00 0.00 34.95 32.52 1h4a s ARG 9 CO 0.23 -2.28 0.00 0.41 -1.08 0.00 0.00 175.30 172.58 1h4a n GLY 10 N -0.61 0.05 3.19 3.88 0.00 -0.14 -3.06 105.19 108.50 1h4a n GLY 10 Ca 0.09 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1h4a n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h4a n PHE 11 N -3.82 -2.32 -4.37 1.61 3.72 -1.25 -5.02 117.46 106.01 1h4a n PHE 11 Ca -0.15 0.81 -0.24 0.00 -0.05 0.00 0.00 57.45 57.81 1h4a n PHE 11 Cb 0.59 -4.30 -0.09 0.00 -0.94 0.00 0.00 39.48 34.75 1h4a n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h4a s GLN 12 N -6.04 2.02 0.61 -1.08 -1.52 -1.17 -5.05 119.66 107.43 1h4a s GLN 12 Ca 0.47 -1.69 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 1h4a s GLN 12 Cb -0.21 -1.93 0.00 0.00 -0.22 0.00 0.00 33.01 30.65 1h4a s GLN 12 CO 0.58 0.23 0.00 0.41 -0.25 0.00 0.00 175.29 176.25 1h4a n GLY 13 N -0.86 -2.20 3.70 3.09 0.00 -1.26 -1.95 105.19 105.70 1h4a n GLY 13 Ca -0.05 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1h4a n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1h4a n ARG 14 N -0.23 2.15 -4.19 1.61 0.63 -1.26 -4.67 116.66 110.70 1h4a n ARG 14 Ca 0.00 0.76 -0.12 0.00 -0.92 0.00 0.00 57.85 57.57 1h4a n ARG 14 Cb 0.00 -2.36 -0.10 0.00 0.45 0.00 0.00 32.46 30.45 1h4a n ARG 14 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1h4a s HIS 15 N -0.88 1.09 -0.16 -0.14 -3.43 -1.26 -0.94 115.29 109.57 1h4a s HIS 15 Ca 0.58 -1.34 -0.11 0.00 -0.80 0.00 0.00 55.06 53.38 1h4a s HIS 15 Cb -0.58 -0.54 0.05 0.00 -1.43 0.00 0.00 32.58 30.09 1h4a s HIS 15 CO 0.60 -0.62 0.41 -0.47 -2.00 0.00 0.00 174.74 172.65 1h4a s TYR 16 N -4.14 -0.54 -0.12 0.38 5.04 -0.32 -4.98 117.35 112.67 1h4a s TYR 16 Ca 0.36 1.21 -0.05 0.00 -2.44 0.00 0.00 57.07 56.14 1h4a s TYR 16 Cb 0.07 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.56 1h4a s TYR 16 CO 0.10 -0.29 0.06 -2.00 -1.34 0.00 0.00 175.55 172.08 1h4a s GLU 17 N 0.95 3.42 0.03 4.97 2.12 -1.26 -0.92 118.70 128.02 1h4a s GLU 17 Ca -0.06 -0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.04 1h4a s GLU 17 Cb -0.06 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1h4a s GLU 17 CO -0.08 0.60 -0.21 0.00 -0.54 0.00 0.00 175.26 175.03 1h4a n SER 19 N 2.02 1.24 -3.58 0.00 7.64 -1.26 -1.51 113.62 118.16 1h4a n SER 19 Ca -0.17 -1.72 -0.11 0.00 1.01 0.00 0.00 58.87 57.89 1h4a n SER 19 Cb 0.53 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 1h4a n SER 19 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h4a s SER 20 N -0.77 0.24 0.36 6.43 1.04 -1.26 -4.53 113.70 115.21 1h4a s SER 20 Ca 0.02 -1.13 -0.27 0.00 0.48 0.00 0.00 55.95 55.05 1h4a s SER 20 Cb 0.02 0.66 -0.12 0.00 0.10 0.00 0.00 66.02 66.68 1h4a s SER 20 CO 0.00 -1.29 1.10 0.47 0.98 0.00 0.00 173.24 174.51 1h4a n ASP 21 N -0.88 1.78 -3.79 7.02 8.00 -1.26 -4.59 116.55 122.83 1h4a n ASP 21 Ca -0.02 1.14 -0.27 0.00 0.71 0.00 0.00 54.79 56.35 1h4a n ASP 21 Cb 0.61 -1.38 -0.17 0.00 -0.02 0.00 0.00 41.12 40.17 1h4a n ASP 21 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1h4a s HIS 22 N -1.15 1.15 -0.92 1.24 2.46 0.06 -4.98 115.29 113.14 1h4a s HIS 22 Ca 0.59 -0.78 0.28 0.00 0.47 0.00 0.00 55.06 55.62 1h4a s HIS 22 Cb -0.60 -1.06 1.10 0.00 -0.13 0.00 0.00 32.58 31.89 1h4a s HIS 22 CO 0.60 -0.55 1.87 -0.35 -2.47 0.00 0.00 174.74 173.83 1h4a n PRO 23 N 5.02 0.07 -3.22 2.88 -0.04 -1.26 -1.40 135.00 137.05 1h4a n PRO 23 Ca -0.09 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1h4a n PRO 23 Cb 0.48 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1h4a n PRO 23 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1h4a s ASN 24 N -3.41 -1.12 0.00 3.54 2.47 -1.25 -0.15 114.94 115.02 1h4a s ASN 24 Ca 0.13 -0.56 0.29 0.00 0.42 0.00 0.00 52.86 53.13 1h4a s ASN 24 Cb 0.17 1.77 1.30 0.00 -1.45 0.00 0.00 41.25 43.03 1h4a s ASN 24 CO 0.53 -0.23 1.95 0.18 -3.72 0.00 0.00 177.10 175.81 1h4a n LEU 25 N 4.76 0.00 -0.34 3.21 4.77 -0.03 -4.37 117.00 125.00 1h4a n LEU 25 Ca 0.08 0.45 0.09 0.00 -0.03 0.00 0.00 56.01 56.60 1h4a n LEU 25 Cb 0.54 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.45 1h4a n LEU 25 CO -0.00 -0.01 1.18 1.56 -1.33 0.00 0.00 177.39 178.79 1h4a h GLN 26 N 0.00 0.78 0.00 3.23 4.20 -1.75 0.12 115.11 121.69 1h4a h GLN 26 Ca 0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1h4a h GLN 26 Cb 0.44 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1h4a h GLN 26 CO 0.00 0.52 -0.12 -1.35 -0.67 0.00 0.00 178.83 177.21 1h4a h PRO 27 N 0.80 0.00 0.00 1.46 0.11 -1.98 -3.29 132.00 129.10 1h4a h PRO 27 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1h4a h PRO 27 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1h4a h PRO 27 CO -0.34 0.12 -0.69 0.66 -0.21 0.00 0.00 178.00 177.54 1h4a n TYR 28 N -3.61 0.00 -3.51 0.65 4.01 -0.08 -4.95 117.16 109.68 1h4a n TYR 28 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1h4a n TYR 28 Cb 0.25 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1h4a n TYR 28 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1h4a s LEU 29 N -2.72 -1.20 0.14 7.72 2.96 -0.54 -4.68 118.68 120.35 1h4a s LEU 29 Ca 0.04 1.36 0.23 0.00 -0.22 0.00 0.00 54.13 55.54 1h4a s LEU 29 Cb 0.09 2.24 0.13 0.00 0.50 0.00 0.00 46.19 49.16 1h4a s LEU 29 CO 0.52 -0.23 1.14 -1.54 -1.32 0.00 0.00 176.35 174.92 1h4a n SER 30 N 5.44 0.73 -3.71 3.68 3.41 -1.26 -4.26 113.62 117.65 1h4a n SER 30 Ca -0.09 0.14 -0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1h4a n SER 30 Cb 0.50 0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.86 1h4a n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h4a s ARG 31 N -3.26 1.17 -0.16 4.33 1.70 -1.26 -4.96 118.95 116.50 1h4a s ARG 31 Ca 0.03 -0.61 -0.04 0.00 -0.47 0.00 0.00 55.73 54.63 1h4a s ARG 31 Cb 0.12 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 34.98 1h4a s ARG 31 CO 0.77 -0.53 0.12 0.00 -1.08 0.00 0.00 175.30 174.58 1h4a n ASN 33 N 5.29 0.86 -3.64 0.00 3.02 -0.30 -4.46 115.26 116.03 1h4a n ASN 33 Ca -0.06 -0.93 -0.10 0.00 -0.03 0.00 0.00 54.58 53.46 1h4a n ASN 33 Cb 0.49 0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 40.19 1h4a n ASN 33 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1h4a s SER 34 N -1.14 -0.37 -0.17 6.41 1.04 -1.14 -2.13 113.70 116.21 1h4a s SER 34 Ca 0.05 -0.32 -0.18 0.00 0.48 0.00 0.00 55.95 55.97 1h4a s SER 34 Cb 0.05 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.83 1h4a s SER 34 CO 0.18 -1.06 0.50 0.00 0.98 0.00 0.00 173.24 173.84 1h4a s ALA 35 N -3.83 -1.25 -0.19 5.32 0.00 -0.30 -1.02 121.76 120.49 1h4a s ALA 35 Ca 0.06 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1h4a s ALA 35 Cb -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1h4a s ALA 35 CO -0.05 -0.25 -0.17 0.50 0.00 0.00 0.00 175.76 175.79 1h4a s ARG 36 N 0.03 2.99 -0.38 0.00 3.52 -0.38 -0.91 118.95 123.82 1h4a s ARG 36 Ca -0.02 -0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 54.59 1h4a s ARG 36 Cb -0.03 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.70 1h4a s ARG 36 CO 0.02 -0.24 0.33 0.08 -0.81 0.00 0.00 175.30 174.68 1h4a s VAL 37 N 1.30 5.20 0.09 7.11 1.01 -0.36 -1.23 120.40 133.52 1h4a s VAL 37 Ca 0.04 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1h4a s VAL 37 Cb -0.14 -3.88 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 1h4a s VAL 37 CO -0.11 -0.21 1.17 0.44 0.00 0.00 0.00 175.10 176.39 1h4a h ASP 38 N 8.58 0.21 -4.73 3.32 3.45 -1.41 -2.04 116.42 123.80 1h4a h ASP 38 Ca -0.29 -0.24 0.05 0.00 0.43 0.00 0.00 57.03 56.99 1h4a h ASP 38 Cb 1.13 -0.07 -0.16 0.00 -0.56 0.00 0.00 39.33 39.68 1h4a h ASP 38 CO 0.71 1.19 0.38 -0.94 -1.57 0.00 0.00 179.24 179.01 1h4a s SER 39 N -6.90 -0.46 0.00 6.45 1.04 -1.11 -4.91 113.70 107.81 1h4a s SER 39 Ca -0.02 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1h4a s SER 39 Cb 0.08 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1h4a s SER 39 CO 0.85 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1h4a n GLY 40 N -0.05 -1.39 3.30 7.32 0.00 -1.26 -1.32 105.19 111.79 1h4a n GLY 40 Ca -0.13 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1h4a n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4a s TRP 42 N -0.63 1.06 -0.20 0.00 0.52 0.19 -0.96 118.94 118.92 1h4a s TRP 42 Ca 0.10 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 1h4a s TRP 42 Cb -0.10 -0.62 0.01 0.00 -1.15 0.00 0.00 33.47 31.61 1h4a s TRP 42 CO -0.00 0.01 -0.13 1.41 0.02 0.00 0.00 176.95 178.26 1h4a s MET 43 N -1.32 3.17 0.08 4.98 1.75 -0.25 -0.76 119.30 126.96 1h4a s MET 43 Ca -0.02 -0.73 -0.11 0.00 -1.25 0.00 0.00 55.69 53.58 1h4a s MET 43 Cb -0.08 -2.77 -0.06 0.00 2.84 0.00 0.00 34.83 34.76 1h4a s MET 43 CO 0.01 -0.19 0.42 -0.51 -0.65 0.00 0.00 175.02 174.10 1h4a s LEU 44 N 1.34 4.37 0.01 4.11 1.43 0.33 -0.68 118.68 129.59 1h4a s LEU 44 Ca 0.05 0.86 0.06 0.00 -1.03 0.00 0.00 54.13 54.06 1h4a s LEU 44 Cb -0.14 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 1h4a s LEU 44 CO -0.08 0.19 -0.17 -0.31 0.23 0.00 0.00 176.35 176.21 1h4a s TYR 45 N -1.36 1.51 0.31 0.29 1.51 -0.39 -0.70 117.35 118.53 1h4a s TYR 45 Ca 0.32 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 56.14 1h4a s TYR 45 Cb -0.14 -0.94 0.51 0.00 -0.11 0.00 0.00 41.96 41.28 1h4a s TYR 45 CO 0.17 0.01 1.74 1.49 -1.11 0.00 0.00 175.55 177.86 1h4a h GLU 46 N 5.40 0.25 -6.17 -0.62 4.81 -1.12 0.38 114.58 117.52 1h4a h GLU 46 Ca -0.38 -0.10 -0.58 0.00 -0.13 0.00 0.00 59.36 58.16 1h4a h GLU 46 Cb 1.16 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.41 1h4a h GLU 46 CO 0.47 0.57 -0.69 -0.65 -0.73 0.00 0.00 179.01 177.98 1h4a s GLN 47 N -4.26 2.01 0.98 1.92 -1.52 -0.60 -3.66 119.66 114.52 1h4a s GLN 47 Ca -0.05 -1.63 -0.11 0.00 -1.95 0.00 0.00 55.36 51.62 1h4a s GLN 47 Cb 0.14 -1.96 0.18 0.00 -0.22 0.00 0.00 33.01 31.15 1h4a s GLN 47 CO 0.76 0.30 1.10 -2.14 -0.25 0.00 0.00 175.29 175.07 1h4a s PRO 48 N -3.62 0.57 -1.56 2.91 0.02 -1.26 -3.53 135.00 128.53 1h4a s PRO 48 Ca 0.31 1.17 -0.05 0.00 0.02 0.00 0.00 61.00 62.46 1h4a s PRO 48 Cb -0.05 -1.70 0.01 0.00 0.02 0.00 0.00 34.50 32.78 1h4a s PRO 48 CO 0.18 -2.82 0.61 0.09 -0.33 0.00 0.00 177.00 174.73 1h4a n ASN 49 N -4.32 -6.07 -3.20 2.53 3.02 0.79 -3.36 115.26 104.64 1h4a n ASN 49 Ca 0.08 -0.29 -0.17 0.00 -0.03 0.00 0.00 54.58 54.17 1h4a n ASN 49 Cb 0.53 -4.91 0.08 0.00 -0.61 0.00 0.00 39.78 34.87 1h4a n ASN 49 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1h4a n TYR 50 N -4.51 -2.16 -4.40 3.10 4.01 -1.25 -5.01 117.16 106.96 1h4a n TYR 50 Ca -0.11 0.86 -0.20 0.00 -0.16 0.00 0.00 57.90 58.29 1h4a n TYR 50 Cb 0.62 -4.71 -0.10 0.00 -0.31 0.00 0.00 39.34 34.84 1h4a n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1h4a s SER 51 N -3.92 1.92 0.12 7.72 1.04 -1.21 -5.05 113.70 114.31 1h4a s SER 51 Ca 0.17 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1h4a s SER 51 Cb -0.07 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1h4a s SER 51 CO 0.65 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1h4a n GLY 52 N -0.64 -1.82 3.77 7.32 0.00 -1.26 -1.55 105.19 111.01 1h4a n GLY 52 Ca -0.02 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 1h4a n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h4a s LEU 53 N 0.00 4.29 0.08 0.99 1.43 -1.26 -4.63 118.68 119.58 1h4a s LEU 53 Ca 0.00 2.94 0.07 0.00 -1.03 0.00 0.00 54.13 56.10 1h4a s LEU 53 Cb 0.00 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1h4a s LEU 53 CO 0.00 -0.87 -0.12 -1.10 0.23 0.00 0.00 176.35 174.48 1h4a s GLN 54 N -2.13 2.14 -0.06 1.70 -0.21 -1.26 -1.07 119.66 118.77 1h4a s GLN 54 Ca 0.54 -0.99 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 1h4a s GLN 54 Cb -0.44 -2.29 0.04 0.00 1.00 0.00 0.00 33.01 31.32 1h4a s GLN 54 CO 0.59 0.53 0.13 0.71 -2.12 0.00 0.00 175.29 175.12 1h4a s TYR 55 N -1.11 -0.12 -0.11 0.91 2.02 0.12 -4.30 117.35 114.76 1h4a s TYR 55 Ca 0.19 0.45 -0.21 0.00 -0.37 0.00 0.00 57.07 57.13 1h4a s TYR 55 Cb -0.11 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.24 1h4a s TYR 55 CO 0.10 -0.18 0.59 0.12 -1.57 0.00 0.00 175.55 174.61 1h4a s PHE 56 N 1.48 3.51 -0.03 2.71 5.36 -1.26 -0.51 117.98 129.24 1h4a s PHE 56 Ca -0.05 1.04 0.05 0.00 -0.96 0.00 0.00 56.93 57.00 1h4a s PHE 56 Cb -0.12 -2.69 -0.01 0.00 -0.34 0.00 0.00 43.02 39.86 1h4a s PHE 56 CO -0.05 0.08 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.09 1h4a s LEU 57 N 0.92 1.99 0.00 6.12 1.02 0.06 -4.93 118.68 123.85 1h4a s LEU 57 Ca 0.31 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1h4a s LEU 57 Cb -0.16 -0.99 0.00 0.00 0.02 0.00 0.00 46.19 45.07 1h4a s LEU 57 CO 0.13 0.20 0.03 0.00 0.02 0.00 0.00 176.35 176.73 1h4a n HIS 58 N 2.86 0.07 -1.70 0.29 1.44 -1.26 -0.64 115.22 116.27 1h4a n HIS 58 Ca -0.16 -0.88 -0.43 0.00 -2.01 0.00 0.00 57.72 54.23 1h4a n HIS 58 Cb 0.53 -0.13 -0.01 0.00 0.12 0.00 0.00 29.99 30.50 1h4a n HIS 58 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1h4a n ARG 59 N -0.57 2.25 0.00 -1.40 0.63 -1.24 -4.59 116.66 111.74 1h4a n ARG 59 Ca -0.06 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1h4a n ARG 59 Cb 0.23 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.69 1h4a n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1h4a n GLY 60 N 1.43 1.00 3.28 5.14 0.00 -0.77 -4.96 105.19 110.31 1h4a n GLY 60 Ca 0.07 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1h4a n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h4a s ASP 61 N -3.02 4.50 -0.55 1.61 1.11 -1.26 -1.22 116.67 117.84 1h4a s ASP 61 Ca 0.00 -0.64 -0.01 0.00 0.18 0.00 0.00 52.55 52.08 1h4a s ASP 61 Cb 0.00 -1.75 0.14 0.00 1.07 0.00 0.00 42.92 42.39 1h4a s ASP 61 CO 0.00 -0.10 0.34 -0.31 1.18 0.00 0.00 175.17 176.28 1h4a s TYR 62 N 1.43 3.43 -0.65 4.23 1.51 -0.08 -4.97 117.35 122.25 1h4a s TYR 62 Ca 0.03 -2.75 0.25 0.00 -1.01 0.00 0.00 57.07 53.59 1h4a s TYR 62 Cb -0.16 -3.13 0.89 0.00 -0.11 0.00 0.00 41.96 39.46 1h4a s TYR 62 CO -0.02 -0.86 1.75 0.00 -1.11 0.00 0.00 175.55 175.31 1h4a n ALA 63 N 3.68 2.03 -3.09 3.71 0.00 -1.26 -1.15 120.51 124.44 1h4a n ALA 63 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1h4a n ALA 63 Cb 0.38 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 1h4a n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h4a s ASP 64 N -4.34 -0.00 0.54 0.00 1.01 -1.23 -0.97 116.67 111.68 1h4a s ASP 64 Ca 0.08 -0.11 0.28 0.00 0.71 0.00 0.00 52.55 53.51 1h4a s ASP 64 Cb 0.11 0.22 1.57 0.00 1.01 0.00 0.00 42.92 45.84 1h4a s ASP 64 CO 0.51 -0.30 2.14 1.12 0.21 0.00 0.00 175.17 178.84 1h4a h HIS 65 N 4.64 0.00 0.00 4.23 2.07 -1.72 -1.28 115.15 123.09 1h4a h HIS 65 Ca -0.30 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.22 1h4a h HIS 65 Cb 1.20 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1h4a h HIS 65 CO 0.56 0.08 -0.04 1.96 -3.07 0.00 0.00 177.93 177.42 1h4a h GLN 66 N 0.00 0.00 0.00 5.12 7.50 -1.90 -1.15 115.11 124.68 1h4a h GLN 66 Ca -0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.10 1h4a h GLN 66 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.74 1h4a h GLN 66 CO 0.01 0.04 -0.21 1.96 -1.50 0.00 0.00 178.83 179.12 1h4a h GLN 67 N 0.00 0.00 -0.65 1.46 4.20 -1.59 -0.58 115.11 117.95 1h4a h GLN 67 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h4a h GLN 67 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1h4a h GLN 67 CO 0.00 0.21 0.00 -2.67 -0.67 0.00 0.00 178.83 175.71 1h4a n TRP 68 N -4.02 1.43 -1.69 2.96 2.14 -0.84 -4.92 117.44 112.50 1h4a n TRP 68 Ca -0.02 -0.57 -0.14 0.00 2.07 0.00 0.00 57.50 58.84 1h4a n TRP 68 Cb 0.29 -0.24 -0.04 0.00 -0.81 0.00 0.00 31.31 30.50 1h4a n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 1h4a n MET 69 N 1.05 -1.02 -1.83 -2.67 2.81 -0.23 -4.70 117.12 110.54 1h4a n MET 69 Ca 0.24 0.88 -0.42 0.00 -1.81 0.00 0.00 57.70 56.60 1h4a n MET 69 Cb 0.86 -5.04 -0.02 0.00 -0.71 0.00 0.00 33.22 28.31 1h4a n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1h4a s GLY 70 N -2.69 2.07 0.02 3.03 0.00 -0.49 -4.90 107.32 104.35 1h4a s GLY 70 Ca 0.00 1.52 0.26 0.00 0.00 0.00 0.00 44.72 46.49 1h4a s GLY 70 CO 0.00 2.52 1.54 1.04 0.00 0.00 0.00 173.10 178.20 1h4a n LEU 71 N 2.41 0.41 0.00 0.66 4.77 -1.26 -4.34 117.00 119.65 1h4a n LEU 71 Ca 0.09 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 1h4a n LEU 71 Cb 0.38 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1h4a n LEU 71 CO 0.63 0.06 0.48 -1.54 -1.33 0.00 0.00 177.39 175.69 1h4a n SER 72 N -1.59 -2.11 -1.42 -1.43 3.41 -1.26 -5.03 113.62 104.18 1h4a n SER 72 Ca 0.06 -2.53 0.03 0.00 -0.26 0.00 0.00 58.87 56.16 1h4a n SER 72 Cb 0.35 3.54 0.25 0.00 -0.26 0.00 0.00 64.21 68.09 1h4a n SER 72 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1h4a n ASP 73 N -1.52 3.99 -4.57 4.04 5.68 -1.26 -4.87 116.55 118.04 1h4a n ASP 73 Ca -0.08 -2.62 -0.42 0.00 -0.50 0.00 0.00 54.79 51.16 1h4a n ASP 73 Cb 0.56 -0.63 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 1h4a n ASP 73 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1h4a s SER 74 N -0.49 6.50 -0.16 -1.12 0.01 -1.26 -0.16 113.70 117.02 1h4a s SER 74 Ca 0.35 0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.80 1h4a s SER 74 Cb 0.27 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 64.16 1h4a s SER 74 CO 0.10 -0.77 0.01 -0.69 0.41 0.00 0.00 173.24 172.29 1h4a s VAL 75 N 3.13 0.61 0.00 3.43 1.01 -1.26 -4.29 120.40 123.02 1h4a s VAL 75 Ca 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1h4a s VAL 75 Cb -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1h4a s VAL 75 CO 0.18 -0.02 0.17 0.54 0.00 0.00 0.00 175.10 175.97 1h4a n ARG 76 N 5.04 3.80 -3.80 2.72 1.74 0.11 -4.81 116.66 121.45 1h4a n ARG 76 Ca -0.09 -0.17 -0.09 0.00 -0.77 0.00 0.00 57.85 56.73 1h4a n ARG 76 Cb 0.48 -0.64 -0.03 0.00 -1.02 0.00 0.00 32.46 31.24 1h4a n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1h4a s SER 77 N -0.59 -0.25 -0.10 0.55 1.04 -1.12 -0.85 113.70 112.39 1h4a s SER 77 Ca 0.00 -0.57 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 1h4a s SER 77 Cb 0.00 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.78 1h4a s SER 77 CO 0.00 -1.14 0.45 0.00 0.98 0.00 0.00 173.24 173.52 1h4a s ARG 79 N -0.49 3.05 -0.41 0.00 0.52 0.14 -0.76 118.95 121.00 1h4a s ARG 79 Ca -0.06 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 54.27 1h4a s ARG 79 Cb -0.03 -2.63 0.02 0.00 0.52 0.00 0.00 34.95 32.83 1h4a s ARG 79 CO 0.03 0.46 1.06 -1.17 0.02 0.00 0.00 175.30 175.71 1h4a s LEU 80 N -0.28 3.82 -0.04 2.53 2.96 -1.26 -1.09 118.68 125.33 1h4a s LEU 80 Ca 0.03 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.27 1h4a s LEU 80 Cb -0.13 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1h4a s LEU 80 CO 0.03 -1.05 1.09 -0.63 -1.32 0.00 0.00 176.35 174.46 1h4a s ILE 81 N 3.97 4.53 0.24 6.68 1.01 -0.13 -4.82 121.20 132.67 1h4a s ILE 81 Ca 0.44 1.82 -0.31 0.00 0.00 0.00 0.00 60.65 62.59 1h4a s ILE 81 Cb -0.10 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.08 1h4a s ILE 81 CO 0.24 0.06 1.60 -2.65 0.00 0.00 0.00 174.94 174.18 1h4a n PRO 82 N 4.62 2.51 -1.86 2.79 -0.02 -1.26 -4.56 135.00 137.23 1h4a n PRO 82 Ca 0.09 0.90 -0.37 0.00 -2.02 0.00 0.00 63.50 62.09 1h4a n PRO 82 Cb 0.48 -2.68 0.04 0.00 -0.02 0.00 0.00 33.50 31.33 1h4a n PRO 82 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1h4a s HIS 83 N 0.48 2.29 0.03 6.00 -3.43 -1.26 -4.67 115.29 114.72 1h4a s HIS 83 Ca 0.70 1.45 0.01 0.00 -0.80 0.00 0.00 55.06 56.43 1h4a s HIS 83 Cb -0.56 -3.67 -0.02 0.00 -1.43 0.00 0.00 32.58 26.91 1h4a s HIS 83 CO 0.42 -2.66 -0.05 0.45 -2.00 0.00 0.00 174.74 170.90 1h4a s SER 84 N -1.26 0.55 -0.14 7.38 0.15 -1.26 -4.98 113.70 114.13 1h4a s SER 84 Ca 0.76 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 57.12 1h4a s SER 84 Cb -0.36 0.04 0.57 0.00 -1.71 0.00 0.00 66.02 64.56 1h4a s SER 84 CO 0.41 -0.19 1.48 0.61 1.20 0.00 0.00 173.24 176.75 1h4a n GLY 85 N 1.79 3.44 3.65 9.45 0.00 -1.26 -4.92 105.19 117.35 1h4a n GLY 85 Ca -0.21 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 1h4a n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4a s SER 87 N -1.42 -0.28 -0.02 1.61 1.04 -1.26 -5.14 113.70 108.23 1h4a s SER 87 Ca 0.42 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1h4a s SER 87 Cb 0.31 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.94 1h4a s SER 87 CO 0.14 -0.87 -0.02 -1.00 0.98 0.00 0.00 173.24 172.47 1h4a s HIS 88 N -3.34 0.40 -0.26 5.02 0.09 -1.26 -2.80 115.29 113.14 1h4a s HIS 88 Ca 0.09 -0.06 -0.18 0.00 -0.00 0.00 0.00 55.06 54.91 1h4a s HIS 88 Cb -0.02 -0.37 0.07 0.00 -0.00 0.00 0.00 32.58 32.26 1h4a s HIS 88 CO -0.02 -0.09 0.66 0.50 -0.00 0.00 0.00 174.74 175.80 1h4a s ARG 89 N 0.52 0.71 -0.07 1.40 3.52 -0.19 -4.39 118.95 120.44 1h4a s ARG 89 Ca -0.05 1.10 -0.09 0.00 -0.13 0.00 0.00 55.73 56.56 1h4a s ARG 89 Cb -0.09 0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.53 1h4a s ARG 89 CO -0.01 -0.13 0.24 -1.50 -0.81 0.00 0.00 175.30 173.09 1h4a s ILE 90 N 1.22 0.01 -0.19 4.11 2.07 -0.36 -1.45 121.20 126.62 1h4a s ILE 90 Ca -0.07 -0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.02 1h4a s ILE 90 Cb -0.05 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 1h4a s ILE 90 CO -0.13 -0.06 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.66 1h4a s ARG 91 N -0.15 3.46 -0.12 3.50 0.52 -0.42 -0.96 118.95 124.77 1h4a s ARG 91 Ca -0.03 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1h4a s ARG 91 Cb -0.03 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 1h4a s ARG 91 CO 0.01 -0.02 -0.03 -0.51 0.02 0.00 0.00 175.30 174.76 1h4a s LEU 92 N 1.03 3.33 0.02 2.53 1.43 0.29 -0.96 118.68 126.35 1h4a s LEU 92 Ca 0.01 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1h4a s LEU 92 Cb -0.15 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1h4a s LEU 92 CO 0.00 0.26 -0.23 -0.31 0.23 0.00 0.00 176.35 176.31 1h4a s TYR 93 N -0.20 2.42 0.22 0.29 1.51 -0.16 -0.90 117.35 120.53 1h4a s TYR 93 Ca 0.04 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.66 1h4a s TYR 93 Cb -0.13 -1.45 0.20 0.00 -0.11 0.00 0.00 41.96 40.47 1h4a s TYR 93 CO 0.02 0.14 1.87 1.49 -1.11 0.00 0.00 175.55 177.96 1h4a h GLU 94 N 4.90 0.94 -5.67 -0.62 4.81 -1.07 -1.64 114.58 116.23 1h4a h GLU 94 Ca -0.46 -0.06 -0.59 0.00 -0.13 0.00 0.00 59.36 58.12 1h4a h GLU 94 Cb 1.14 -0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.18 1h4a h GLU 94 CO 0.46 0.62 -0.63 1.03 -0.73 0.00 0.00 179.01 179.76 1h4a s ARG 95 N -6.12 1.83 0.89 1.92 0.52 -0.60 -3.75 118.95 113.63 1h4a s ARG 95 Ca -0.13 -1.99 -0.10 0.00 -0.52 0.00 0.00 55.73 52.98 1h4a s ARG 95 Cb 0.16 -1.51 0.13 0.00 0.52 0.00 0.00 34.95 34.25 1h4a s ARG 95 CO 0.78 0.00 1.12 -1.21 0.02 0.00 0.00 175.30 176.02 1h4a s GLU 96 N -3.70 1.28 -1.60 3.54 8.01 -1.26 -3.49 118.70 121.48 1h4a s GLU 96 Ca 0.34 1.39 -0.04 0.00 0.01 0.00 0.00 54.97 56.66 1h4a s GLU 96 Cb 0.07 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.12 1h4a s GLU 96 CO 0.17 -2.40 0.53 -0.25 0.01 0.00 0.00 175.26 173.32 1h4a n ASP 97 N -4.06 -6.15 -2.76 -0.19 9.92 -0.59 -2.38 116.55 110.34 1h4a n ASP 97 Ca 0.11 -0.25 -0.21 0.00 -0.53 0.00 0.00 54.79 53.90 1h4a n ASP 97 Cb 0.53 -4.99 0.03 0.00 -0.64 0.00 0.00 41.12 36.04 1h4a n ASP 97 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1h4a n TYR 98 N -4.47 -1.69 -3.79 1.24 4.01 -1.25 -4.99 117.16 106.22 1h4a n TYR 98 Ca -0.13 0.40 -0.20 0.00 -0.16 0.00 0.00 57.90 57.80 1h4a n TYR 98 Cb 0.63 -4.26 -0.02 0.00 -0.31 0.00 0.00 39.34 35.38 1h4a n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1h4a s ARG 99 N -5.51 3.08 1.61 -0.72 0.52 -1.00 -5.01 118.95 111.93 1h4a s ARG 99 Ca 0.23 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1h4a s ARG 99 Cb -0.10 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.65 1h4a s ARG 99 CO 0.28 0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1h4a n GLY 100 N -1.44 -1.61 3.77 -3.53 0.00 -1.26 -1.56 105.19 99.55 1h4a n GLY 100 Ca -0.04 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 1h4a n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h4a s GLN 101 N 0.00 3.86 -0.05 1.61 0.74 -1.26 -4.71 119.66 119.85 1h4a s GLN 101 Ca 0.00 2.14 0.06 0.00 0.05 0.00 0.00 55.36 57.61 1h4a s GLN 101 Cb 0.00 -2.68 -0.01 0.00 1.10 0.00 0.00 33.01 31.42 1h4a s GLN 101 CO 0.00 -0.57 -0.24 1.41 -0.55 0.00 0.00 175.29 175.34 1h4a s MET 102 N -2.35 2.40 -0.06 1.67 -2.45 -1.26 -0.86 119.30 116.39 1h4a s MET 102 Ca 0.59 -0.87 0.04 0.00 -1.25 0.00 0.00 55.69 54.20 1h4a s MET 102 Cb -0.38 -2.07 -0.00 0.00 1.25 0.00 0.00 34.83 33.63 1h4a s MET 102 CO 0.48 0.38 -0.19 -1.50 1.05 0.00 0.00 175.02 175.25 1h4a s ILE 103 N -0.19 1.57 -0.09 10.11 2.07 -0.08 -4.96 121.20 129.63 1h4a s ILE 103 Ca -0.02 -0.78 -0.00 0.00 -1.41 0.00 0.00 60.65 58.44 1h4a s ILE 103 Cb -0.13 -1.36 -0.03 0.00 0.13 0.00 0.00 42.46 41.07 1h4a s ILE 103 CO 0.03 0.45 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.74 1h4a s GLU 104 N 0.14 2.98 0.01 3.50 2.12 -1.26 -0.55 118.70 125.63 1h4a s GLU 104 Ca -0.07 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.75 1h4a s GLU 104 Cb -0.13 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 1h4a s GLU 104 CO 0.04 0.54 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.07 1h4a s PHE 105 N -0.48 1.46 0.00 5.30 0.40 -0.14 -4.99 117.98 119.53 1h4a s PHE 105 Ca 0.07 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1h4a s PHE 105 Cb -0.12 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.49 1h4a s PHE 105 CO 0.02 0.01 0.45 0.25 0.70 0.00 0.00 175.22 176.65 1h4a n THR 106 N 2.40 0.08 -4.28 0.64 -2.24 -1.26 -1.22 114.28 108.40 1h4a n THR 106 Ca -0.16 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 1h4a n THR 106 Cb 0.54 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.81 1h4a n THR 106 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1h4a s GLU 107 N -0.08 1.31 0.64 -0.78 8.01 -1.26 -4.71 118.70 121.83 1h4a s GLU 107 Ca 0.00 -1.69 -0.18 0.00 0.01 0.00 0.00 54.97 53.11 1h4a s GLU 107 Cb 0.00 -0.20 -0.01 0.00 -4.31 0.00 0.00 34.13 29.61 1h4a s GLU 107 CO 0.00 -0.27 1.26 -0.51 0.01 0.00 0.00 175.26 175.75 1h4a s ASP 108 N -3.26 4.76 -0.13 -0.19 1.01 -1.26 -4.86 116.67 112.75 1h4a s ASP 108 Ca 0.34 2.51 -0.02 0.00 0.71 0.00 0.00 52.55 56.10 1h4a s ASP 108 Cb 0.07 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1h4a s ASP 108 CO 0.11 -1.89 0.01 0.00 0.21 0.00 0.00 175.17 173.61 1h4a h SER 110 N 8.28 0.00 -1.78 0.00 4.64 -1.88 -1.07 113.55 121.74 1h4a h SER 110 Ca -0.19 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 60.91 1h4a h SER 110 Cb 1.12 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.92 1h4a h SER 110 CO 0.30 0.00 -0.55 0.00 -0.87 0.00 0.00 176.83 175.72 1h4a h LEU 112 N 8.18 0.11 -0.50 0.00 3.38 -1.33 -2.61 115.31 122.55 1h4a h LEU 112 Ca -0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1h4a h LEU 112 Cb 1.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1h4a h LEU 112 CO 0.28 0.15 0.00 1.56 0.09 0.00 0.00 178.44 180.52 1h4a h GLN 113 N 0.12 0.00 0.00 1.13 7.50 -1.81 -1.08 115.11 120.97 1h4a h GLN 113 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1h4a h GLN 113 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 1h4a h GLN 113 CO 0.00 0.00 0.00 -0.44 -1.50 0.00 0.00 178.83 176.89 1h4a h ASP 114 N 0.00 0.00 0.00 1.46 3.32 -1.87 -3.34 116.42 116.00 1h4a h ASP 114 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1h4a h ASP 114 Cb 0.53 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1h4a h ASP 114 CO 0.00 0.00 -1.67 0.54 -1.72 0.00 0.00 179.24 176.39 1h4a n ARG 115 N -2.50 1.65 -4.10 3.56 5.12 -0.70 -5.01 116.66 114.68 1h4a n ARG 115 Ca 0.03 -0.04 -0.07 0.00 -1.93 0.00 0.00 57.85 55.84 1h4a n ARG 115 Cb 0.36 -1.28 -0.10 0.00 -1.16 0.00 0.00 32.46 30.28 1h4a n ARG 115 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1h4a s PHE 116 N -2.43 0.56 -1.54 -1.55 -0.12 -0.49 -5.06 117.98 107.34 1h4a s PHE 116 Ca -0.05 -1.05 0.29 0.00 -0.05 0.00 0.00 56.93 56.07 1h4a s PHE 116 Cb 0.05 -0.40 1.18 0.00 -0.63 0.00 0.00 43.02 43.21 1h4a s PHE 116 CO 0.45 -0.35 1.83 0.54 -0.05 0.00 0.00 175.22 177.65 1h4a n ARG 117 N 0.11 0.57 -3.25 1.99 3.00 -1.26 -4.02 116.66 113.80 1h4a n ARG 117 Ca -0.14 -0.19 -0.38 0.00 -0.01 0.00 0.00 57.85 57.13 1h4a n ARG 117 Cb 0.61 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.51 1h4a n ARG 117 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1h4a s PHE 118 N -2.56 3.79 -1.26 -1.55 0.40 -1.26 -4.96 117.98 110.57 1h4a s PHE 118 Ca 0.26 1.29 0.28 0.00 -0.60 0.00 0.00 56.93 58.16 1h4a s PHE 118 Cb 0.20 -2.51 1.03 0.00 0.51 0.00 0.00 43.02 42.24 1h4a s PHE 118 CO 0.50 0.55 1.76 0.09 0.70 0.00 0.00 175.22 178.82 1h4a n ASN 119 N 1.56 0.33 -4.15 1.36 3.02 -1.26 -4.69 115.26 111.43 1h4a n ASN 119 Ca -0.09 -0.14 -0.17 0.00 -0.03 0.00 0.00 54.58 54.14 1h4a n ASN 119 Cb 0.51 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.44 1h4a n ASN 119 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1h4a s GLU 120 N -2.79 0.77 -0.09 3.52 2.02 -1.26 -2.45 118.70 118.42 1h4a s GLU 120 Ca 0.19 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1h4a s GLU 120 Cb 0.19 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.69 1h4a s GLU 120 CO 0.55 0.16 -0.18 0.42 0.02 0.00 0.00 175.26 176.23 1h4a s ILE 121 N -1.30 1.63 -0.45 -1.63 -1.09 -0.55 -4.81 121.20 113.01 1h4a s ILE 121 Ca -0.03 -0.77 0.15 0.00 -2.23 0.00 0.00 60.65 57.77 1h4a s ILE 121 Cb -0.10 -1.44 -0.18 0.00 -1.58 0.00 0.00 42.46 39.16 1h4a s ILE 121 CO 0.02 0.46 0.51 1.41 -1.23 0.00 0.00 174.94 176.12 1h4a n HIS 122 N 3.68 0.00 -3.49 3.97 8.25 -0.62 -4.69 115.22 122.32 1h4a n HIS 122 Ca -0.21 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.14 1h4a n HIS 122 Cb 0.52 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 1h4a n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1h4a s SER 123 N -2.85 -0.50 0.04 0.41 1.04 -1.22 -3.09 113.70 107.53 1h4a s SER 123 Ca 0.02 -0.09 -0.27 0.00 0.48 0.00 0.00 55.95 56.08 1h4a s SER 123 Cb 0.10 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.89 1h4a s SER 123 CO 0.61 -0.99 0.62 -1.48 0.98 0.00 0.00 173.24 172.98 1h4a s LEU 124 N -2.77 -0.52 -0.19 2.42 0.05 -0.32 -0.99 118.68 116.36 1h4a s LEU 124 Ca 0.02 0.38 0.01 0.00 0.05 0.00 0.00 54.13 54.59 1h4a s LEU 124 Cb -0.01 2.49 0.04 0.00 -2.05 0.00 0.00 46.19 46.65 1h4a s LEU 124 CO -0.11 -0.75 -0.11 0.21 -0.55 0.00 0.00 176.35 175.03 1h4a s ASN 125 N -1.86 3.21 -0.68 1.48 3.04 -0.14 -1.18 114.94 118.81 1h4a s ASN 125 Ca -0.06 -0.78 -0.19 0.00 0.04 0.00 0.00 52.86 51.88 1h4a s ASN 125 Cb -0.00 -1.22 0.12 0.00 -1.54 0.00 0.00 41.25 38.60 1h4a s ASN 125 CO 0.00 -0.12 0.80 -0.69 -3.04 0.00 0.00 177.10 174.05 1h4a s VAL 126 N 1.42 4.86 0.03 -5.21 1.01 -0.55 -1.31 120.40 120.65 1h4a s VAL 126 Ca 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 1h4a s VAL 126 Cb -0.15 -4.55 -0.30 0.00 0.00 0.00 0.00 36.38 31.37 1h4a s VAL 126 CO -0.09 -1.20 1.04 -0.07 0.00 0.00 0.00 175.10 174.78 1h4a h LEU 127 N 9.88 0.77 -7.53 3.92 3.38 -1.53 -2.13 115.31 122.06 1h4a h LEU 127 Ca -0.17 -0.86 -0.26 0.00 0.09 0.00 0.00 57.88 56.67 1h4a h LEU 127 Cb 1.07 -0.24 -0.32 0.00 0.09 0.00 0.00 40.66 41.26 1h4a h LEU 127 CO 1.07 1.56 -0.68 -1.61 0.09 0.00 0.00 178.44 178.87 1h4a s GLU 128 N -2.83 0.02 0.07 1.13 2.02 -0.75 -4.91 118.70 113.45 1h4a s GLU 128 Ca -0.11 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.10 1h4a s GLU 128 Cb 0.04 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.11 1h4a s GLU 128 CO 0.91 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1h4a n GLY 129 N 3.92 -1.88 3.75 -1.39 0.00 -1.12 -1.03 105.19 107.44 1h4a n GLY 129 Ca -0.24 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 1h4a n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h4a s SER 130 N -4.72 5.40 0.07 1.61 0.01 -1.26 -3.84 113.70 110.97 1h4a s SER 130 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1h4a s SER 130 Cb 0.00 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 1h4a s SER 130 CO 0.00 0.16 -0.04 0.26 0.41 0.00 0.00 173.24 174.03 1h4a s TRP 131 N -1.40 0.66 -0.17 2.43 0.52 -0.15 -0.87 118.94 119.96 1h4a s TRP 131 Ca 0.29 -1.00 -0.00 0.00 0.02 0.00 0.00 56.10 55.40 1h4a s TRP 131 Cb -0.12 -0.44 -0.00 0.00 -1.15 0.00 0.00 33.47 31.76 1h4a s TRP 131 CO 0.21 -0.29 -0.13 0.08 0.02 0.00 0.00 176.95 176.84 1h4a s VAL 132 N -3.74 2.77 -0.13 4.03 1.01 0.23 -0.24 120.40 124.34 1h4a s VAL 132 Ca 0.08 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 1h4a s VAL 132 Cb 0.06 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1h4a s VAL 132 CO -0.08 0.50 0.28 -0.22 0.00 0.00 0.00 175.10 175.59 1h4a s LEU 133 N 0.94 4.30 -0.04 3.92 2.96 -0.14 -1.17 118.68 129.47 1h4a s LEU 133 Ca -0.03 0.57 0.06 0.00 -0.22 0.00 0.00 54.13 54.51 1h4a s LEU 133 Cb -0.15 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 1h4a s LEU 133 CO -0.02 0.19 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.69 1h4a s TYR 134 N -0.03 2.52 0.31 5.38 1.51 -0.24 -0.77 117.35 126.03 1h4a s TYR 134 Ca 0.17 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1h4a s TYR 134 Cb -0.13 -1.57 0.57 0.00 -0.11 0.00 0.00 41.96 40.72 1h4a s TYR 134 CO 0.05 0.07 1.90 1.49 -1.11 0.00 0.00 175.55 177.95 1h4a h GLU 135 N 5.45 0.95 -6.40 -0.62 4.81 -1.05 0.34 114.58 118.05 1h4a h GLU 135 Ca -0.44 -0.06 -0.63 0.00 -0.13 0.00 0.00 59.36 58.10 1h4a h GLU 135 Cb 1.14 -0.21 -0.16 0.00 0.63 0.00 0.00 28.75 30.15 1h4a h GLU 135 CO 0.49 0.63 -0.77 -0.51 -0.73 0.00 0.00 179.01 178.11 1h4a s LEU 136 N -9.98 2.61 0.86 1.64 1.43 -0.71 -2.00 118.68 112.53 1h4a s LEU 136 Ca -0.11 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 1h4a s LEU 136 Cb 0.20 -1.23 0.12 0.00 0.03 0.00 0.00 46.19 45.31 1h4a s LEU 136 CO 0.80 0.08 1.18 -1.54 0.23 0.00 0.00 176.35 177.09 1h4a n SER 137 N -0.21 0.71 -2.84 2.29 3.41 -1.25 -3.28 113.62 112.45 1h4a n SER 137 Ca -0.09 0.51 -0.22 0.00 -0.26 0.00 0.00 58.87 58.81 1h4a n SER 137 Cb 0.58 -1.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.06 1h4a n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1h4a n ASN 138 N -3.76 -6.07 -2.83 4.04 3.02 0.47 -3.61 115.26 106.53 1h4a n ASN 138 Ca 0.13 -0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 1h4a n ASN 138 Cb 0.51 -4.92 0.07 0.00 -0.61 0.00 0.00 39.78 34.83 1h4a n ASN 138 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1h4a n TYR 139 N -4.41 -1.66 -4.41 3.10 4.01 -1.22 -5.02 117.16 107.56 1h4a n TYR 139 Ca -0.14 0.70 -0.20 0.00 -0.16 0.00 0.00 57.90 58.10 1h4a n TYR 139 Cb 0.64 -4.28 -0.10 0.00 -0.31 0.00 0.00 39.34 35.28 1h4a n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1h4a s ARG 140 N -4.96 1.62 1.76 -0.72 0.52 -1.21 -5.05 118.95 110.92 1h4a s ARG 140 Ca 0.02 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 1h4a s ARG 140 Cb -0.00 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.94 1h4a s ARG 140 CO 0.55 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.97 1h4a n GLY 141 N -0.65 -1.43 3.78 -3.53 0.00 -1.26 -1.73 105.19 100.37 1h4a n GLY 141 Ca -0.02 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1h4a n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h4a s ARG 142 N 0.00 4.06 -0.03 1.61 0.52 -1.26 -4.67 118.95 119.18 1h4a s ARG 142 Ca 0.00 2.54 0.03 0.00 -0.52 0.00 0.00 55.73 57.78 1h4a s ARG 142 Cb 0.00 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 1h4a s ARG 142 CO 0.00 -0.56 -0.09 -0.65 0.02 0.00 0.00 175.30 174.02 1h4a s GLN 143 N -2.14 2.59 -0.16 3.54 -0.21 -1.26 -0.91 119.66 121.11 1h4a s GLN 143 Ca 0.54 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 55.22 1h4a s GLN 143 Cb -0.46 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.11 1h4a s GLN 143 CO 0.62 0.63 0.03 0.71 -2.12 0.00 0.00 175.29 175.16 1h4a s TYR 144 N -0.87 0.80 0.18 0.91 2.02 0.05 -4.34 117.35 116.11 1h4a s TYR 144 Ca 0.14 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 55.95 1h4a s TYR 144 Cb -0.11 -0.91 -0.08 0.00 -0.40 0.00 0.00 41.96 40.46 1h4a s TYR 144 CO 0.04 -0.52 1.26 -1.17 -1.57 0.00 0.00 175.55 173.59 1h4a s LEU 145 N 1.93 4.42 -0.13 -1.29 2.96 -1.26 -0.96 118.68 124.35 1h4a s LEU 145 Ca 0.01 2.30 0.03 0.00 -0.22 0.00 0.00 54.13 56.24 1h4a s LEU 145 Cb -0.16 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1h4a s LEU 145 CO -0.07 -0.47 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.52 1h4a s LEU 146 N 0.01 2.04 0.28 -0.68 1.43 0.67 -4.95 118.68 117.48 1h4a s LEU 146 Ca 0.56 -0.56 0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1h4a s LEU 146 Cb -0.34 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1h4a s LEU 146 CO 0.36 0.09 -0.19 -0.04 0.23 0.00 0.00 176.35 176.80 1h4a s MET 147 N 0.74 1.69 0.15 1.70 -1.94 -1.26 -0.97 119.30 119.41 1h4a s MET 147 Ca -0.10 -1.77 -0.34 0.00 -1.71 0.00 0.00 55.69 51.77 1h4a s MET 147 Cb -0.16 -1.77 -0.15 0.00 2.01 0.00 0.00 34.83 34.75 1h4a s MET 147 CO 0.00 0.32 1.34 -2.30 -0.01 0.00 0.00 175.02 174.38 1h4a n PRO 148 N -0.63 1.49 0.00 2.03 -0.02 -1.25 -4.73 135.00 131.89 1h4a n PRO 148 Ca -0.05 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1h4a n PRO 148 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1h4a n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h4a n GLY 149 N 2.46 1.01 3.83 -1.23 0.00 -0.80 -4.99 105.19 105.47 1h4a n GLY 149 Ca 0.16 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1h4a n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h4a s ASP 150 N 0.00 6.91 -0.36 1.61 1.01 -1.26 -1.48 116.67 123.10 1h4a s ASP 150 Ca 0.00 1.10 0.00 0.00 0.71 0.00 0.00 52.55 54.37 1h4a s ASP 150 Cb 0.00 -2.30 0.12 0.00 1.01 0.00 0.00 42.92 41.75 1h4a s ASP 150 CO 0.00 0.26 0.16 -0.31 0.21 0.00 0.00 175.17 175.49 1h4a s TYR 151 N -1.17 1.64 -0.10 4.23 1.51 -0.33 -5.00 117.35 118.14 1h4a s TYR 151 Ca 0.29 -1.94 0.28 0.00 -1.01 0.00 0.00 57.07 54.69 1h4a s TYR 151 Cb -0.17 -1.66 0.91 0.00 -0.11 0.00 0.00 41.96 40.93 1h4a s TYR 151 CO 0.17 -0.84 1.82 0.00 -1.11 0.00 0.00 175.55 175.59 1h4a h ARG 152 N 7.49 0.00 -3.68 -0.62 3.08 -1.89 -0.84 114.38 117.92 1h4a h ARG 152 Ca -0.07 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1h4a h ARG 152 Cb 0.98 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.85 1h4a h ARG 152 CO 0.45 0.04 -0.49 1.03 -1.07 0.00 0.00 179.97 179.93 1h4a s ARG 153 N -3.48 0.59 0.52 0.04 0.52 -1.25 -1.54 118.95 114.35 1h4a s ARG 153 Ca 0.03 -0.64 0.20 0.00 -0.52 0.00 0.00 55.73 54.80 1h4a s ARG 153 Cb 0.08 0.24 1.36 0.00 0.52 0.00 0.00 34.95 37.14 1h4a s ARG 153 CO 0.61 -0.15 2.13 0.10 0.02 0.00 0.00 175.30 178.00 1h4a h TYR 154 N 3.76 0.00 0.00 -0.53 -0.00 -1.84 -0.69 116.97 117.67 1h4a h TYR 154 Ca -0.32 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.40 1h4a h TYR 154 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.92 1h4a h TYR 154 CO 0.55 0.06 -0.06 1.96 -0.00 0.00 0.00 178.16 180.67 1h4a h GLN 155 N 0.00 0.00 0.00 0.10 7.50 -1.92 -2.30 115.11 118.49 1h4a h GLN 155 Ca -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1h4a h GLN 155 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 1h4a h GLN 155 CO 0.01 0.06 -0.04 -0.44 -1.50 0.00 0.00 178.83 176.91 1h4a h ASP 156 N 0.00 0.00 -0.68 1.46 3.32 -1.44 -1.28 116.42 117.79 1h4a h ASP 156 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h4a h ASP 156 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1h4a h ASP 156 CO 0.01 0.04 0.00 -2.67 -1.72 0.00 0.00 179.24 174.90 1h4a n TRP 157 N -3.23 1.19 -0.33 4.55 2.14 -0.88 -4.95 117.44 115.94 1h4a n TRP 157 Ca -0.01 -0.55 0.00 0.00 2.07 0.00 0.00 57.50 59.01 1h4a n TRP 157 Cb 0.23 -0.11 0.00 0.00 -0.81 0.00 0.00 31.31 30.62 1h4a n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1h4a n GLY 158 N 1.37 0.74 3.87 -1.67 0.00 -0.48 -4.65 105.19 104.37 1h4a n GLY 158 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1h4a n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4a s ALA 159 N -2.35 3.33 -1.92 4.61 0.00 -1.16 -4.99 121.76 119.28 1h4a s ALA 159 Ca 0.00 -0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.05 1h4a s ALA 159 Cb 0.00 -2.74 0.07 0.00 0.00 0.00 0.00 23.12 20.45 1h4a s ALA 159 CO 0.00 0.03 1.13 0.25 0.00 0.00 0.00 175.76 177.17 1h4a n THR 160 N -1.17 0.00 -3.99 0.00 -2.24 -1.26 -4.00 114.28 101.62 1h4a n THR 160 Ca 0.03 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1h4a n THR 160 Cb 0.54 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.86 1h4a n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h4a s ASN 161 N -2.53 0.13 -0.02 3.42 2.20 -1.26 -5.05 114.94 111.83 1h4a s ASN 161 Ca 0.18 -1.06 0.15 0.00 -0.94 0.00 0.00 52.86 51.19 1h4a s ASN 161 Cb 0.18 0.64 0.46 0.00 -2.00 0.00 0.00 41.25 40.53 1h4a s ASN 161 CO 0.59 -1.25 1.37 0.00 -2.94 0.00 0.00 177.10 174.87 1h4a n ALA 162 N -0.44 2.56 -1.92 3.54 0.00 -1.26 -4.92 120.51 118.07 1h4a n ALA 162 Ca -0.02 -0.94 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1h4a n ALA 162 Cb 0.61 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1h4a n ALA 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1h4a s ARG 163 N -1.44 4.22 -0.02 0.00 6.06 -1.26 -1.47 118.95 125.03 1h4a s ARG 163 Ca 0.34 2.36 -0.03 0.00 -2.50 0.00 0.00 55.73 55.90 1h4a s ARG 163 Cb 0.19 -3.14 0.00 0.00 0.06 0.00 0.00 34.95 32.06 1h4a s ARG 163 CO 0.21 -0.57 0.08 0.14 -2.50 0.00 0.00 175.30 172.66 1h4a s VAL 164 N 0.88 0.03 0.00 7.11 -7.23 -1.03 -4.49 120.40 115.67 1h4a s VAL 164 Ca 0.68 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 1h4a s VAL 164 Cb -0.44 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1h4a s VAL 164 CO 0.34 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1h4a n GLY 165 N 2.50 0.00 3.72 2.32 0.00 0.09 -4.64 105.19 109.18 1h4a n GLY 165 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1h4a n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4a s SER 166 N -1.51 -0.25 -0.18 1.61 1.04 -1.08 -1.04 113.70 112.30 1h4a s SER 166 Ca 0.00 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 55.72 1h4a s SER 166 Cb 0.00 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.85 1h4a s SER 166 CO 0.00 -1.24 0.43 -0.22 0.98 0.00 0.00 173.24 173.19 1h4a s LEU 167 N -2.92 -0.18 -0.03 2.42 2.96 -0.41 -1.08 118.68 119.44 1h4a s LEU 167 Ca 0.12 0.94 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1h4a s LEU 167 Cb -0.04 1.41 0.01 0.00 0.50 0.00 0.00 46.19 48.07 1h4a s LEU 167 CO 0.05 -0.20 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.22 1h4a s ARG 168 N 1.50 0.71 0.31 1.98 3.52 -0.31 -0.76 118.95 125.89 1h4a s ARG 168 Ca -0.09 -0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 1h4a s ARG 168 Cb -0.08 -0.71 -0.10 0.00 -1.56 0.00 0.00 34.95 32.50 1h4a s ARG 168 CO -0.13 0.02 1.16 1.03 -0.81 0.00 0.00 175.30 176.56 1h4a s ARG 169 N 0.46 4.50 -0.48 5.12 0.52 -1.26 -0.60 118.95 127.21 1h4a s ARG 169 Ca -0.06 1.91 -0.26 0.00 -0.52 0.00 0.00 55.73 56.80 1h4a s ARG 169 Cb -0.10 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.31 1h4a s ARG 169 CO 0.00 0.05 0.95 0.08 0.02 0.00 0.00 175.30 176.41 1h4a s VAL 170 N -1.19 4.42 -0.05 3.52 1.01 -0.05 -4.85 120.40 123.21 1h4a s VAL 170 Ca 0.47 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 1h4a s VAL 170 Cb -0.34 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 31.60 1h4a s VAL 170 CO 0.44 -0.91 0.10 -0.63 0.00 0.00 0.00 175.10 174.09 1h4a s ILE 171 N 3.89 -0.04 -0.29 2.22 1.01 -1.26 -4.69 121.20 122.04 1h4a s ILE 171 Ca 0.37 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.95 1h4a s ILE 171 Cb -0.10 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 1h4a s ILE 171 CO 0.26 0.06 0.64 -0.62 0.00 0.00 0.00 174.94 175.27 1h4a s ASP 172 N 0.82 6.54 0.54 3.58 3.68 -1.26 -4.94 116.67 125.63 1h4a s ASP 172 Ca -0.06 0.55 0.32 0.00 2.13 0.00 0.00 52.55 55.48 1h4a s ASP 172 Cb -0.09 -2.34 1.51 0.00 -1.45 0.00 0.00 42.92 40.55 1h4a s ASP 172 CO -0.04 -0.45 2.06 -0.26 0.13 0.00 0.00 175.17 176.61 1h4a h PHE 173 N 8.08 0.00 -0.02 -5.34 -1.00 -1.98 -3.51 116.94 113.17 1h4a h PHE 173 Ca -0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.52 1h4a h PHE 173 Cb 1.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.68 1h4a h PHE 173 CO 0.76 0.08 0.00 0.43 -1.61 0.00 0.00 178.31 177.97