#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hj8 s VAL 17 N 0.00 5.30 0.00 1.39 1.01 0.62 -4.04 120.40 124.68 1hj8 s VAL 17 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1hj8 s VAL 17 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1hj8 s VAL 17 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1hj8 n GLY 18 N 3.84 0.60 0.00 4.51 0.00 -1.25 -1.52 105.19 111.37 1hj8 n GLY 18 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1hj8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hj8 n GLY 19 N -2.77 1.82 3.13 -0.02 0.00 -1.26 -4.91 105.19 101.16 1hj8 n GLY 19 Ca 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1hj8 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hj8 s TYR 20 N 2.25 0.25 0.10 1.61 -0.85 -0.20 -4.95 117.35 115.55 1hj8 s TYR 20 Ca 0.00 -0.62 -0.31 0.00 -0.52 0.00 0.00 57.07 55.62 1hj8 s TYR 20 Cb 0.00 -0.17 -0.09 0.00 0.38 0.00 0.00 41.96 42.08 1hj8 s TYR 20 CO 0.00 -0.40 1.59 -2.00 -1.52 0.00 0.00 175.55 173.22 1hj8 s GLU 21 N -3.06 4.22 0.35 -3.49 2.12 -1.26 -0.51 118.70 117.06 1hj8 s GLU 21 Ca -0.01 2.29 -0.28 0.00 0.36 0.00 0.00 54.97 57.33 1hj8 s GLU 21 Cb 0.02 -3.44 -0.12 0.00 0.26 0.00 0.00 34.13 30.85 1hj8 s GLU 21 CO -0.07 -0.66 1.40 0.00 -0.54 0.00 0.00 175.26 175.39 1hj8 s LYS 23 N -1.84 1.97 0.39 0.00 -2.85 -1.26 -4.95 119.74 111.19 1hj8 s LYS 23 Ca 0.55 0.88 -0.26 0.00 -1.00 0.00 0.00 55.97 56.14 1hj8 s LYS 23 Cb -0.53 -1.89 -0.11 0.00 -2.06 0.00 0.00 37.83 33.25 1hj8 s LYS 23 CO 0.62 -1.76 1.25 0.00 0.10 0.00 0.00 175.35 175.55 1hj8 n ALA 24 N -3.57 1.16 0.00 0.59 0.00 -1.26 -2.27 120.51 115.17 1hj8 n ALA 24 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1hj8 n ALA 24 Cb 0.55 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1hj8 n ALA 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hj8 n TYR 25 N -0.02 0.00 -1.35 0.00 0.53 -1.26 -4.96 117.16 110.10 1hj8 n TYR 25 Ca 0.06 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.64 1hj8 n TYR 25 Cb 0.38 -0.21 0.10 0.00 -1.03 0.00 0.00 39.34 38.58 1hj8 n TYR 25 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1hj8 s SER 26 N -2.56 4.35 -1.36 7.72 1.04 -0.96 -4.23 113.70 117.69 1hj8 s SER 26 Ca 0.00 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.96 1hj8 s SER 26 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1hj8 s SER 26 CO 0.00 -2.10 0.47 0.00 0.98 0.00 0.00 173.24 172.59 1hj8 n GLN 27 N -3.54 -2.65 0.00 4.02 1.13 -1.26 -4.87 117.38 110.20 1hj8 n GLN 27 Ca 0.08 0.38 0.09 0.00 -1.94 0.00 0.00 57.00 55.60 1hj8 n GLN 27 Cb 0.54 -4.30 0.44 0.00 0.11 0.00 0.00 30.24 27.04 1hj8 n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1hj8 n PRO 28 N -4.41 0.17 0.08 -1.09 -0.04 -1.26 -1.30 135.00 127.14 1hj8 n PRO 28 Ca -0.27 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1hj8 n PRO 28 Cb 0.67 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.92 1hj8 n PRO 28 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1hj8 n HIS 29 N -1.37 0.69 -2.17 0.54 1.44 -0.97 -2.23 115.22 111.15 1hj8 n HIS 29 Ca 0.07 0.20 -0.42 0.00 -2.01 0.00 0.00 57.72 55.56 1hj8 n HIS 29 Cb 0.17 -0.76 -0.03 0.00 0.12 0.00 0.00 29.99 29.49 1hj8 n HIS 29 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1hj8 s GLN 30 N -3.13 4.34 0.21 -1.40 2.00 -0.42 -0.61 119.66 120.66 1hj8 s GLN 30 Ca 0.09 2.09 0.09 0.00 -2.00 0.00 0.00 55.36 55.63 1hj8 s GLN 30 Cb 0.13 -3.21 -0.05 0.00 0.80 0.00 0.00 33.01 30.68 1hj8 s GLN 30 CO 0.66 -0.36 -0.17 0.14 -0.50 0.00 0.00 175.29 175.06 1hj8 s VAL 31 N 0.60 1.97 -0.17 1.34 -7.23 -0.31 -4.44 120.40 112.15 1hj8 s VAL 31 Ca 0.61 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 1hj8 s VAL 31 Cb -0.37 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1hj8 s VAL 31 CO 0.35 -0.46 0.04 -0.55 -0.31 0.00 0.00 175.10 174.16 1hj8 s SER 32 N -3.18 5.42 -0.16 4.85 0.15 -0.50 -2.15 113.70 118.14 1hj8 s SER 32 Ca 0.23 0.03 -0.19 0.00 0.70 0.00 0.00 55.95 56.72 1hj8 s SER 32 Cb -0.03 -1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1hj8 s SER 32 CO 0.09 0.18 0.55 -0.76 1.20 0.00 0.00 173.24 174.50 1hj8 s LEU 33 N 0.33 4.21 -0.05 3.45 1.02 0.27 -0.77 118.68 127.13 1hj8 s LEU 33 Ca 0.01 0.81 0.03 0.00 0.02 0.00 0.00 54.13 55.01 1hj8 s LEU 33 Cb -0.13 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1hj8 s LEU 33 CO 0.01 -0.14 -0.15 0.21 0.02 0.00 0.00 176.35 176.30 1hj8 s ASN 34 N 0.96 1.97 -0.29 2.29 2.47 -0.18 -1.51 114.94 120.65 1hj8 s ASN 34 Ca 0.27 -0.33 0.17 0.00 0.42 0.00 0.00 52.86 53.39 1hj8 s ASN 34 Cb -0.16 -0.71 0.48 0.00 -1.45 0.00 0.00 41.25 39.41 1hj8 s ASN 34 CO 0.11 0.10 1.11 -0.24 -3.72 0.00 0.00 177.10 174.46 1hj8 n SER 37 N 3.44 2.69 0.00 -4.21 2.88 -1.26 -1.61 113.62 115.55 1hj8 n SER 37 Ca -0.20 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.64 1hj8 n SER 37 Cb 0.53 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1hj8 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hj8 n GLY 38 N -0.55 0.52 3.61 0.46 0.00 -1.26 -5.03 105.19 102.93 1hj8 n GLY 38 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1hj8 n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hj8 s TYR 39 N -2.00 -0.15 0.19 1.61 1.13 -1.26 -5.14 117.35 111.73 1hj8 s TYR 39 Ca 0.00 0.19 -0.31 0.00 -1.41 0.00 0.00 57.07 55.54 1hj8 s TYR 39 Cb 0.00 0.49 -0.10 0.00 -1.10 0.00 0.00 41.96 41.25 1hj8 s TYR 39 CO 0.00 -0.18 1.57 -1.58 -2.51 0.00 0.00 175.55 172.86 1hj8 s HIS 40 N -1.66 3.01 0.00 -3.49 5.65 -1.26 -4.23 115.29 113.32 1hj8 s HIS 40 Ca 0.07 0.66 0.00 0.00 0.25 0.00 0.00 55.06 56.03 1hj8 s HIS 40 Cb -0.01 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.44 1hj8 s HIS 40 CO -0.05 -3.45 0.09 1.97 -0.65 0.00 0.00 174.74 172.66 1hj8 n PHE 41 N 3.62 0.00 0.00 3.88 -1.74 -0.57 -4.98 117.46 117.66 1hj8 n PHE 41 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.02 1hj8 n PHE 41 Cb 0.38 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.38 1hj8 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1hj8 n GLY 43 N -0.10 2.17 3.85 0.00 0.00 0.67 -0.56 105.19 111.21 1hj8 n GLY 43 Ca 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 46.02 43.76 1hj8 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hj8 s GLY 44 N -4.46 -0.05 -0.06 -0.02 0.00 -0.91 -3.69 107.32 98.13 1hj8 s GLY 44 Ca 0.52 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.18 1hj8 s GLY 44 CO 0.33 2.29 -0.06 -0.56 0.00 0.00 0.00 173.10 175.09 1hj8 s SER 45 N -3.35 1.36 0.03 1.64 0.01 0.06 -1.16 113.70 112.29 1hj8 s SER 45 Ca 0.21 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1hj8 s SER 45 Cb -0.01 -0.58 -0.05 0.00 0.21 0.00 0.00 66.02 65.58 1hj8 s SER 45 CO 0.03 -0.06 1.27 -0.22 0.41 0.00 0.00 173.24 174.67 1hj8 s LEU 46 N 1.06 4.34 0.00 2.44 2.96 0.22 -0.65 118.68 129.05 1hj8 s LEU 46 Ca -0.08 2.05 0.04 0.00 -0.22 0.00 0.00 54.13 55.91 1hj8 s LEU 46 Cb -0.14 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1hj8 s LEU 46 CO -0.01 -0.57 0.19 1.33 -1.32 0.00 0.00 176.35 175.97 1hj8 n VAL 47 N 4.22 0.00 -3.70 1.68 0.24 -0.41 -0.94 118.33 119.42 1hj8 n VAL 47 Ca 0.11 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.34 61.97 1hj8 n VAL 47 Cb 0.45 1.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.84 1hj8 n VAL 47 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1hj8 n ASN 48 N -1.07 -1.28 0.30 -1.34 0.23 -1.22 -4.56 115.26 106.32 1hj8 n ASN 48 Ca 0.01 -1.73 0.18 0.00 -0.53 0.00 0.00 54.58 52.50 1hj8 n ASN 48 Cb 0.07 2.09 0.92 0.00 -2.08 0.00 0.00 39.78 40.78 1hj8 n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1hj8 h GLU 49 N 0.00 0.00 -0.00 -3.83 3.07 -1.97 -3.21 114.58 108.63 1hj8 h GLU 49 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1hj8 h GLU 49 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1hj8 h GLU 49 CO 0.26 0.04 -0.24 0.09 -1.40 0.00 0.00 179.01 177.76 1hj8 n ASN 50 N -3.36 0.79 -3.90 1.42 3.02 -1.26 -0.74 115.26 111.23 1hj8 n ASN 50 Ca -0.02 -0.89 -0.11 0.00 -0.03 0.00 0.00 54.58 53.53 1hj8 n ASN 50 Cb 0.17 0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 39.89 1hj8 n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1hj8 s TRP 51 N -1.38 0.06 -0.01 3.10 0.52 -1.22 -0.68 118.94 119.33 1hj8 s TRP 51 Ca 0.05 -0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.14 1hj8 s TRP 51 Cb 0.06 -0.05 -0.02 0.00 -1.15 0.00 0.00 33.47 32.31 1hj8 s TRP 51 CO 0.24 -0.06 -0.25 0.08 0.02 0.00 0.00 176.95 176.97 1hj8 s VAL 52 N -0.42 2.01 -0.17 4.03 1.01 -0.06 -1.28 120.40 125.52 1hj8 s VAL 52 Ca -0.05 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 1hj8 s VAL 52 Cb -0.03 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1hj8 s VAL 52 CO -0.00 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.01 1hj8 s VAL 53 N -0.63 4.93 0.00 2.92 1.01 0.17 -0.68 120.40 128.13 1hj8 s VAL 53 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1hj8 s VAL 53 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1hj8 s VAL 53 CO -0.00 0.50 0.00 -0.24 0.00 0.00 0.00 175.10 175.35 1hj8 n SER 54 N 3.16 0.00 -4.82 3.32 2.88 -0.20 -0.76 113.62 117.20 1hj8 n SER 54 Ca -0.17 -0.64 -0.37 0.00 -1.33 0.00 0.00 58.87 56.36 1hj8 n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1hj8 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hj8 s ALA 55 N -1.85 3.73 0.50 -1.46 0.00 -1.26 -0.95 121.76 120.47 1hj8 s ALA 55 Ca 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 51.96 51.71 1hj8 s ALA 55 Cb 0.00 -2.25 1.24 0.00 0.00 0.00 0.00 23.12 22.11 1hj8 s ALA 55 CO 0.00 0.41 2.08 0.00 0.00 0.00 0.00 175.76 178.25 1hj8 h ALA 56 N 5.38 2.12 0.00 0.00 0.00 -1.66 -0.55 119.26 124.53 1hj8 h ALA 56 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1hj8 h ALA 56 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hj8 h ALA 56 CO 0.65 -0.18 0.00 -2.39 0.00 0.00 0.00 179.25 177.33 1hj8 n HIS 57 N -4.48 0.00 1.05 0.00 1.44 -1.26 -1.61 115.22 110.35 1hj8 n HIS 57 Ca 0.03 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.84 1hj8 n HIS 57 Cb 0.26 -0.40 0.34 0.00 0.12 0.00 0.00 29.99 30.31 1hj8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hj8 n TYR 59 N 0.57 2.51 -3.86 0.00 9.36 -0.64 -5.02 117.16 120.09 1hj8 n TYR 59 Ca 0.17 0.35 -0.11 0.00 3.32 0.00 0.00 57.90 61.62 1hj8 n TYR 59 Cb 0.39 -2.52 -0.10 0.00 -0.63 0.00 0.00 39.34 36.47 1hj8 n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1hj8 s LYS 60 N -0.54 0.45 0.50 2.98 1.02 -1.26 -5.06 119.74 117.82 1hj8 s LYS 60 Ca 0.65 -0.29 0.17 0.00 0.02 0.00 0.00 55.97 56.53 1hj8 s LYS 60 Cb -0.57 0.19 1.22 0.00 -0.52 0.00 0.00 37.83 38.15 1hj8 s LYS 60 CO 0.50 -0.10 2.07 0.77 -0.92 0.00 0.00 175.35 177.66 1hj8 h SER 61 N 4.51 0.11 -4.62 2.83 0.02 -1.95 -3.41 113.55 111.05 1hj8 h SER 61 Ca -0.30 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.50 1hj8 h SER 61 Cb 1.19 -0.02 -0.22 0.00 0.14 0.00 0.00 62.40 63.49 1hj8 h SER 61 CO 0.40 0.08 -0.48 0.00 -1.14 0.00 0.00 176.83 175.69 1hj8 s ARG 62 N -5.16 0.41 0.02 3.45 1.04 -1.26 -4.55 118.95 112.90 1hj8 s ARG 62 Ca -0.06 -0.19 -0.03 0.00 -1.04 0.00 0.00 55.73 54.41 1hj8 s ARG 62 Cb 0.18 0.18 -0.01 0.00 -2.04 0.00 0.00 34.95 33.26 1hj8 s ARG 62 CO 0.71 -0.09 0.04 0.14 -0.04 0.00 0.00 175.30 176.05 1hj8 s VAL 63 N -0.93 0.11 -0.20 4.99 -7.23 -1.26 -4.99 120.40 110.89 1hj8 s VAL 63 Ca -0.10 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.01 1hj8 s VAL 63 Cb -0.06 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 1hj8 s VAL 63 CO 0.01 -0.50 0.36 -0.70 -0.31 0.00 0.00 175.10 173.97 1hj8 s GLU 64 N -1.68 4.16 -0.19 4.82 2.12 -0.64 -0.97 118.70 126.32 1hj8 s GLU 64 Ca -0.13 0.14 -0.17 0.00 0.36 0.00 0.00 54.97 55.17 1hj8 s GLU 64 Cb -0.07 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1hj8 s GLU 64 CO -0.01 -0.02 0.44 0.08 -0.54 0.00 0.00 175.26 175.21 1hj8 s VAL 65 N 1.25 5.17 -0.30 3.70 1.01 0.36 -1.01 120.40 130.58 1hj8 s VAL 65 Ca 0.17 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 1hj8 s VAL 65 Cb -0.14 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1hj8 s VAL 65 CO 0.07 0.24 0.03 -0.13 0.00 0.00 0.00 175.10 175.31 1hj8 s ARG 66 N 1.35 2.70 0.22 2.72 0.52 0.05 -0.79 118.95 125.72 1hj8 s ARG 66 Ca 0.21 -1.10 0.06 0.00 -0.52 0.00 0.00 55.73 54.38 1hj8 s ARG 66 Cb -0.15 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 1hj8 s ARG 66 CO 0.09 -0.55 0.22 -0.51 0.02 0.00 0.00 175.30 174.57 1hj8 s LEU 67 N 1.36 3.95 -0.65 2.53 1.02 0.11 -1.40 118.68 125.60 1hj8 s LEU 67 Ca -0.02 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.01 1hj8 s LEU 67 Cb -0.18 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.52 1hj8 s LEU 67 CO -0.00 -0.01 0.00 0.61 0.02 0.00 0.00 176.35 176.97 1hj8 n GLY 69 N -0.97 0.81 3.81 -3.19 0.00 -1.26 -1.19 105.19 103.19 1hj8 n GLY 69 Ca -0.08 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1hj8 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hj8 s GLU 70 N -2.64 4.16 0.03 1.61 0.41 -1.26 -3.80 118.70 117.21 1hj8 s GLU 70 Ca 0.00 0.68 -0.04 0.00 -0.41 0.00 0.00 54.97 55.21 1hj8 s GLU 70 Cb 0.00 -3.24 -0.01 0.00 -1.78 0.00 0.00 34.13 29.09 1hj8 s GLU 70 CO 0.00 0.63 -0.07 1.58 -0.49 0.00 0.00 175.26 176.91 1hj8 n HIS 71 N 1.80 0.00 -3.51 1.61 -0.00 -1.26 -4.93 115.22 108.93 1hj8 n HIS 71 Ca -0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.19 1hj8 n HIS 71 Cb 0.51 -0.12 -0.10 0.00 -0.00 0.00 0.00 29.99 30.28 1hj8 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1hj8 s ASN 72 N -5.92 5.98 0.08 0.26 3.84 -1.26 -1.24 114.94 116.67 1hj8 s ASN 72 Ca -0.06 -0.86 0.19 0.00 0.21 0.00 0.00 52.86 52.34 1hj8 s ASN 72 Cb 0.01 -2.11 0.80 0.00 -0.55 0.00 0.00 41.25 39.39 1hj8 s ASN 72 CO 0.09 -0.40 1.60 2.30 -2.79 0.00 0.00 177.10 177.90 1hj8 n ILE 73 N 5.10 0.82 1.06 -5.21 -5.35 -0.78 -2.41 119.36 112.59 1hj8 n ILE 73 Ca -0.12 0.19 0.11 0.00 -0.27 0.00 0.00 62.75 62.67 1hj8 n ILE 73 Cb 0.47 -0.96 0.08 0.00 -1.74 0.00 0.00 39.64 37.49 1hj8 n ILE 73 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1hj8 n LYS 74 N -1.73 0.84 -4.95 6.28 4.76 -1.26 -4.94 118.16 117.16 1hj8 n LYS 74 Ca 0.04 -0.65 -0.27 0.00 -2.87 0.00 0.00 58.31 54.56 1hj8 n LYS 74 Cb 0.22 -1.49 -0.15 0.00 -1.84 0.00 0.00 35.03 31.77 1hj8 n LYS 74 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1hj8 s VAL 75 N -2.61 1.65 -0.46 -0.18 1.01 -1.01 -5.10 120.40 113.71 1hj8 s VAL 75 Ca 0.18 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1hj8 s VAL 75 Cb 0.18 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1hj8 s VAL 75 CO 0.62 0.42 0.72 -0.89 0.00 0.00 0.00 175.10 175.97 1hj8 s THR 76 N -0.55 4.72 -0.23 3.92 2.01 -1.26 -4.78 115.64 119.48 1hj8 s THR 76 Ca 0.08 0.18 0.22 0.00 0.31 0.00 0.00 61.69 62.48 1hj8 s THR 76 Cb -0.08 -4.29 -0.19 0.00 0.01 0.00 0.00 72.50 67.94 1hj8 s THR 76 CO -0.00 -0.72 0.76 -0.62 -0.69 0.00 0.00 174.62 173.35 1hj8 n GLU 77 N 6.54 0.55 -0.07 4.92 1.02 -1.26 -4.97 120.64 127.38 1hj8 n GLU 77 Ca -0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1hj8 n GLU 77 Cb 0.48 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1hj8 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hj8 n GLY 78 N 1.26 0.48 0.39 0.62 0.00 -1.26 -4.92 105.19 101.75 1hj8 n GLY 78 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1hj8 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hj8 n SER 79 N 0.00 1.68 -4.82 1.61 7.64 -1.26 -5.00 113.62 113.46 1hj8 n SER 79 Ca 0.00 -1.30 -0.33 0.00 1.01 0.00 0.00 58.87 58.25 1hj8 n SER 79 Cb 0.00 0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 1hj8 n SER 79 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1hj8 s GLU 80 N -2.54 4.24 -0.09 1.43 8.01 -1.25 -4.38 118.70 124.13 1hj8 s GLU 80 Ca 0.19 1.12 0.03 0.00 0.01 0.00 0.00 54.97 56.31 1hj8 s GLU 80 Cb 0.18 -2.21 0.01 0.00 -4.31 0.00 0.00 34.13 27.80 1hj8 s GLU 80 CO 0.59 -0.01 -0.16 -0.65 0.01 0.00 0.00 175.26 175.04 1hj8 s GLN 81 N -3.12 2.20 -0.24 1.61 -0.21 -0.34 -4.98 119.66 114.58 1hj8 s GLN 81 Ca 0.61 -0.58 -0.06 0.00 0.02 0.00 0.00 55.36 55.36 1hj8 s GLN 81 Cb -0.09 -1.77 -0.02 0.00 1.00 0.00 0.00 33.01 32.13 1hj8 s GLN 81 CO 0.14 0.05 0.03 -0.06 -2.12 0.00 0.00 175.29 173.32 1hj8 s PHE 82 N 0.65 3.04 -0.06 0.91 0.40 -1.26 -0.71 117.98 120.95 1hj8 s PHE 82 Ca -0.14 -0.68 -0.00 0.00 -0.60 0.00 0.00 56.93 55.51 1hj8 s PHE 82 Cb -0.16 -2.19 0.03 0.00 0.51 0.00 0.00 43.02 41.21 1hj8 s PHE 82 CO 0.04 -0.45 -0.02 0.42 0.70 0.00 0.00 175.22 175.91 1hj8 s ILE 83 N 1.55 0.46 0.33 0.64 1.01 0.03 -4.97 121.20 120.26 1hj8 s ILE 83 Ca 0.06 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 1hj8 s ILE 83 Cb -0.15 -0.56 -0.09 0.00 0.01 0.00 0.00 42.46 41.67 1hj8 s ILE 83 CO 0.01 0.25 1.12 -0.55 0.00 0.00 0.00 174.94 175.76 1hj8 s SER 84 N 1.53 6.99 0.53 3.58 0.15 -1.26 -0.49 113.70 124.73 1hj8 s SER 84 Ca -0.02 2.27 -0.22 0.00 0.70 0.00 0.00 55.95 58.69 1hj8 s SER 84 Cb -0.13 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 1hj8 s SER 84 CO -0.03 -0.34 1.30 -0.94 1.20 0.00 0.00 173.24 174.42 1hj8 s SER 85 N -1.03 5.46 -0.05 5.45 1.04 -0.14 -1.29 113.70 123.13 1hj8 s SER 85 Ca 0.50 2.62 0.18 0.00 0.48 0.00 0.00 55.95 59.73 1hj8 s SER 85 Cb -0.30 -2.62 -0.28 0.00 0.10 0.00 0.00 66.02 62.91 1hj8 s SER 85 CO 0.39 -1.43 0.36 -1.54 0.98 0.00 0.00 173.24 172.00 1hj8 n SER 86 N -0.97 0.72 -3.78 7.02 3.41 0.27 -4.64 113.62 115.65 1hj8 n SER 86 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 1hj8 n SER 86 Cb 0.46 1.72 -0.11 0.00 -0.26 0.00 0.00 64.21 66.03 1hj8 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hj8 s ARG 87 N -3.18 0.42 -0.13 4.33 0.52 -1.21 -4.99 118.95 114.71 1hj8 s ARG 87 Ca -0.07 0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1hj8 s ARG 87 Cb 0.11 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.81 1hj8 s ARG 87 CO 0.77 -0.07 -0.07 0.08 0.02 0.00 0.00 175.30 176.03 1hj8 s VAL 88 N -0.24 1.07 -0.28 3.52 1.01 -1.26 -0.94 120.40 123.29 1hj8 s VAL 88 Ca -0.04 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1hj8 s VAL 88 Cb -0.03 -1.15 0.08 0.00 0.00 0.00 0.00 36.38 35.29 1hj8 s VAL 88 CO 0.01 0.28 0.03 -0.63 0.00 0.00 0.00 175.10 174.79 1hj8 s ILE 89 N 1.68 1.36 0.53 2.22 1.01 0.43 -5.01 121.20 123.42 1hj8 s ILE 89 Ca 0.03 -1.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.04 1hj8 s ILE 89 Cb -0.14 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.41 1hj8 s ILE 89 CO -0.08 -0.42 1.11 -0.13 0.00 0.00 0.00 174.94 175.42 1hj8 s ARG 90 N 1.42 3.45 0.27 2.79 0.52 -1.26 -1.07 118.95 125.07 1hj8 s ARG 90 Ca 0.04 1.55 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 1hj8 s ARG 90 Cb -0.18 -2.02 -0.13 0.00 0.52 0.00 0.00 34.95 33.13 1hj8 s ARG 90 CO -0.13 -0.76 1.29 1.58 0.02 0.00 0.00 175.30 177.30 1hj8 n HIS 91 N -1.25 2.00 0.29 -0.53 -0.00 -0.39 -4.84 115.22 110.50 1hj8 n HIS 91 Ca 0.11 0.53 0.16 0.00 -0.00 0.00 0.00 57.72 58.52 1hj8 n HIS 91 Cb 0.51 -2.40 0.74 0.00 -0.00 0.00 0.00 29.99 28.84 1hj8 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1hj8 h PRO 92 N 3.33 0.00 -0.33 1.57 0.13 -1.93 -2.17 132.00 132.61 1hj8 h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1hj8 h PRO 92 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1hj8 h PRO 92 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 1hj8 n ASN 93 N -2.65 3.90 -4.70 1.44 3.02 -1.26 -5.00 115.26 110.01 1hj8 n ASN 93 Ca -0.00 -2.78 -0.43 0.00 -0.03 0.00 0.00 54.58 51.33 1hj8 n ASN 93 Cb 0.16 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1hj8 n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hj8 n TYR 94 N -0.12 2.50 -3.92 3.10 9.36 -0.82 -4.63 117.16 122.64 1hj8 n TYR 94 Ca 0.20 0.31 -0.19 0.00 3.32 0.00 0.00 57.90 61.54 1hj8 n TYR 94 Cb 0.83 -2.54 -0.17 0.00 -0.63 0.00 0.00 39.34 36.83 1hj8 n TYR 94 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1hj8 s SER 95 N 0.51 0.89 0.26 2.98 1.04 -0.86 -5.00 113.70 113.52 1hj8 s SER 95 Ca 0.68 -0.05 0.13 0.00 0.48 0.00 0.00 55.95 57.19 1hj8 s SER 95 Cb -0.58 -0.32 0.22 0.00 0.10 0.00 0.00 66.02 65.44 1hj8 s SER 95 CO 0.47 -0.13 1.51 0.77 0.98 0.00 0.00 173.24 176.84 1hj8 h SER 96 N 7.62 0.00 -0.03 7.02 4.64 -1.94 -1.27 113.55 129.60 1hj8 h SER 96 Ca -0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1hj8 h SER 96 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1hj8 h SER 96 CO 0.39 0.63 -0.03 0.10 -0.87 0.00 0.00 176.83 177.05 1hj8 h TYR 97 N 0.00 0.16 0.00 4.77 -0.00 -1.98 -2.96 116.97 116.96 1hj8 h TYR 97 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 1hj8 h TYR 97 Cb 1.30 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 1hj8 h TYR 97 CO 0.00 0.20 0.00 0.27 -0.00 0.00 0.00 178.16 178.63 1hj8 n ASN 98 N -4.41 0.93 -3.61 0.10 2.04 -1.24 -5.02 115.26 104.05 1hj8 n ASN 98 Ca -0.01 -1.19 -0.27 0.00 -0.44 0.00 0.00 54.58 52.67 1hj8 n ASN 98 Cb 0.17 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.44 1hj8 n ASN 98 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 1hj8 n ILE 99 N -0.09 -1.77 -2.92 1.53 5.41 -0.54 -4.95 119.36 116.02 1hj8 n ILE 99 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 1hj8 n ILE 99 Cb 0.13 -2.72 -0.06 0.00 -0.71 0.00 0.00 39.64 36.28 1hj8 n ILE 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1hj8 s ASP 100 N -3.05 7.19 -1.19 4.38 2.15 -0.83 -4.16 116.67 121.16 1hj8 s ASP 100 Ca 0.54 1.65 -0.01 0.00 0.43 0.00 0.00 52.55 55.16 1hj8 s ASP 100 Cb -0.27 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 39.84 1hj8 s ASP 100 CO 0.66 -0.05 0.97 0.59 -0.17 0.00 0.00 175.17 177.16 1hj8 n ASN 101 N 0.51 -2.45 -3.79 -0.34 3.02 -1.26 -2.04 115.26 108.90 1hj8 n ASN 101 Ca 0.01 -0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 53.49 1hj8 n ASN 101 Cb 0.51 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 1hj8 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1hj8 n ASP 102 N -3.13 5.31 -3.83 6.41 2.03 -1.26 -4.23 116.55 117.85 1hj8 n ASP 102 Ca -0.27 -3.07 -0.12 0.00 0.52 0.00 0.00 54.79 51.86 1hj8 n ASP 102 Cb 0.67 -1.49 -0.11 0.00 -0.72 0.00 0.00 41.12 39.47 1hj8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1hj8 s ILE 103 N 0.63 0.05 -0.03 5.18 2.07 -1.26 -3.68 121.20 124.16 1hj8 s ILE 103 Ca 0.43 -0.42 -0.18 0.00 -1.41 0.00 0.00 60.65 59.07 1hj8 s ILE 103 Cb 0.11 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.34 1hj8 s ILE 103 CO -0.02 -0.23 0.38 -0.32 -1.91 0.00 0.00 174.94 172.85 1hj8 s MET 104 N -0.83 0.74 -0.08 3.50 -2.45 -0.12 -1.26 119.30 118.79 1hj8 s MET 104 Ca -0.09 -0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.28 1hj8 s MET 104 Cb -0.05 0.33 -0.03 0.00 1.25 0.00 0.00 34.83 36.33 1hj8 s MET 104 CO 0.01 -0.21 -0.07 -0.51 1.05 0.00 0.00 175.02 175.29 1hj8 s LEU 105 N -1.24 3.12 -0.15 4.11 1.43 -0.23 -1.04 118.68 124.69 1hj8 s LEU 105 Ca -0.13 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1hj8 s LEU 105 Cb -0.04 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1hj8 s LEU 105 CO 0.05 0.32 -0.18 -0.63 0.23 0.00 0.00 176.35 176.15 1hj8 s ILE 106 N -0.58 1.80 -0.08 -0.59 1.01 0.15 -0.43 121.20 122.48 1hj8 s ILE 106 Ca 0.09 -0.80 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 1hj8 s ILE 106 Cb -0.12 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1hj8 s ILE 106 CO 0.02 0.50 0.51 -0.75 0.00 0.00 0.00 174.94 175.21 1hj8 s LYS 107 N 1.17 4.30 0.23 2.79 2.20 -0.11 -0.89 119.74 129.43 1hj8 s LYS 107 Ca -0.00 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 55.84 1hj8 s LYS 107 Cb -0.14 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 1hj8 s LYS 107 CO -0.07 0.24 0.95 -0.51 -0.36 0.00 0.00 175.35 175.60 1hj8 s LEU 108 N 0.31 4.63 0.56 5.43 1.43 0.14 -0.57 118.68 130.62 1hj8 s LEU 108 Ca 0.28 1.94 0.35 0.00 -1.03 0.00 0.00 54.13 55.66 1hj8 s LEU 108 Cb -0.16 -3.61 1.51 0.00 0.03 0.00 0.00 46.19 43.96 1hj8 s LEU 108 CO 0.12 0.13 2.04 0.77 0.23 0.00 0.00 176.35 179.64 1hj8 h SER 109 N 4.31 0.00 -4.96 2.29 4.64 -1.45 -3.42 113.55 114.96 1hj8 h SER 109 Ca -0.45 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.72 1hj8 h SER 109 Cb 1.20 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.08 1hj8 h SER 109 CO 0.68 0.01 -0.52 -1.59 -0.87 0.00 0.00 176.83 174.54 1hj8 s LYS 110 N -3.75 0.45 0.45 4.77 -2.85 -1.26 -4.95 119.74 112.60 1hj8 s LYS 110 Ca 0.00 -0.42 -0.25 0.00 -1.00 0.00 0.00 55.97 54.30 1hj8 s LYS 110 Cb 0.10 0.18 -0.08 0.00 -2.06 0.00 0.00 37.83 35.97 1hj8 s LYS 110 CO 0.53 -0.10 1.34 -1.25 0.10 0.00 0.00 175.35 175.97 1hj8 s PRO 111 N -1.37 3.71 0.46 1.78 0.04 -1.26 -4.93 135.00 133.43 1hj8 s PRO 111 Ca -0.15 2.23 -0.23 0.00 0.04 0.00 0.00 61.00 62.89 1hj8 s PRO 111 Cb -0.08 -2.61 -0.07 0.00 0.04 0.00 0.00 34.50 31.78 1hj8 s PRO 111 CO 0.01 -0.73 1.17 0.00 0.04 0.00 0.00 177.00 177.49 1hj8 s ALA 112 N -1.27 2.97 -0.24 8.56 0.00 0.08 -5.01 121.76 126.86 1hj8 s ALA 112 Ca 0.61 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 53.29 1hj8 s ALA 112 Cb -0.40 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 1hj8 s ALA 112 CO 0.50 -0.66 0.72 0.99 0.00 0.00 0.00 175.76 177.31 1hj8 s THR 113 N -1.54 4.92 -0.00 0.00 2.01 -1.26 -4.83 115.64 114.94 1hj8 s THR 113 Ca 0.64 1.34 -0.24 0.00 0.31 0.00 0.00 61.69 63.74 1hj8 s THR 113 Cb -0.29 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1hj8 s THR 113 CO 0.35 -0.00 0.73 -0.76 -0.69 0.00 0.00 174.62 174.24 1hj8 s LEU 114 N 2.56 4.39 0.00 4.42 1.43 -1.26 -4.74 118.68 125.48 1hj8 s LEU 114 Ca 0.31 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 1hj8 s LEU 114 Cb -0.15 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1hj8 s LEU 114 CO 0.08 -0.03 0.00 -0.46 0.23 0.00 0.00 176.35 176.17 1hj8 n ASN 115 N 3.20 0.00 -0.25 2.29 0.23 -0.42 -4.98 115.26 115.34 1hj8 n ASN 115 Ca -0.02 -0.05 0.05 0.00 -0.53 0.00 0.00 54.58 54.03 1hj8 n ASN 115 Cb 0.51 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.49 1hj8 n ASN 115 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1hj8 h THR 116 N 0.05 1.06 0.00 5.53 2.02 -2.00 -3.19 112.91 116.38 1hj8 h THR 116 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1hj8 h THR 116 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1hj8 h THR 116 CO 0.00 0.17 -1.34 -1.22 0.37 0.00 0.00 175.52 173.50 1hj8 n TYR 117 N -4.48 0.00 -3.74 3.16 4.01 -1.26 -4.89 117.16 109.96 1hj8 n TYR 117 Ca 0.12 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.59 1hj8 n TYR 117 Cb 0.20 -0.19 -0.17 0.00 -0.31 0.00 0.00 39.34 38.88 1hj8 n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1hj8 s VAL 118 N -3.10 0.53 -0.14 -0.72 1.01 -1.20 -4.09 120.40 112.68 1hj8 s VAL 118 Ca 0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1hj8 s VAL 118 Cb 0.14 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.57 1hj8 s VAL 118 CO 0.84 -0.16 0.37 -1.10 0.00 0.00 0.00 175.10 175.05 1hj8 s GLN 119 N 1.86 0.41 0.62 2.72 -1.52 -0.94 -1.30 119.66 121.50 1hj8 s GLN 119 Ca -0.00 0.57 -0.12 0.00 -1.95 0.00 0.00 55.36 53.85 1hj8 s GLN 119 Cb -0.17 0.14 -0.03 0.00 -0.22 0.00 0.00 33.01 32.73 1hj8 s GLN 119 CO -0.08 -0.08 1.03 -1.25 -0.25 0.00 0.00 175.29 174.67 1hj8 s PRO 120 N 0.50 3.42 -0.08 2.91 0.04 -1.26 -2.29 135.00 138.23 1hj8 s PRO 120 Ca -0.02 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 1hj8 s PRO 120 Cb -0.04 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1hj8 s PRO 120 CO -0.03 -0.71 -0.02 0.54 0.04 0.00 0.00 177.00 176.82 1hj8 s VAL 121 N -2.96 4.13 0.48 -0.36 0.11 -0.11 -4.87 120.40 116.82 1hj8 s VAL 121 Ca 0.58 -0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 59.11 1hj8 s VAL 121 Cb -0.12 -2.73 -0.09 0.00 -1.53 0.00 0.00 36.38 31.91 1hj8 s VAL 121 CO 0.48 0.60 1.04 0.00 -3.33 0.00 0.00 175.10 173.89 1hj8 s ALA 122 N -0.79 2.88 -0.17 1.54 0.00 -1.26 -4.36 121.76 119.59 1hj8 s ALA 122 Ca 0.12 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1hj8 s ALA 122 Cb -0.11 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1hj8 s ALA 122 CO 0.02 -0.30 0.51 -0.51 0.00 0.00 0.00 175.76 175.48 1hj8 s LEU 123 N -3.46 4.19 0.31 0.00 1.43 -1.26 -1.01 118.68 118.87 1hj8 s LEU 123 Ca 0.67 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 54.32 1hj8 s LEU 123 Cb -0.16 -2.72 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 1hj8 s LEU 123 CO 0.20 -0.12 0.78 -2.16 0.23 0.00 0.00 176.35 175.27 1hj8 s PRO 124 N 1.31 4.16 0.01 1.29 0.04 -1.26 -4.94 135.00 135.61 1hj8 s PRO 124 Ca 0.25 0.85 0.22 0.00 0.04 0.00 0.00 61.00 62.36 1hj8 s PRO 124 Cb -0.15 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 1hj8 s PRO 124 CO 0.10 0.22 0.90 0.25 0.04 0.00 0.00 177.00 178.51 1hj8 n THR 125 N 0.02 0.05 -4.65 1.26 -2.24 -1.26 -4.40 114.28 103.05 1hj8 n THR 125 Ca 0.02 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 1hj8 n THR 125 Cb 0.52 0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 1hj8 n THR 125 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1hj8 s SER 127 N -3.52 3.90 -0.02 3.42 0.01 -1.26 -4.92 113.70 111.30 1hj8 s SER 127 Ca 0.04 -0.38 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 1hj8 s SER 127 Cb 0.15 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.66 1hj8 s SER 127 CO 0.84 0.26 0.54 0.00 0.41 0.00 0.00 173.24 175.30 1hj8 s ALA 129 N -0.27 3.25 0.72 0.00 0.00 -1.26 -5.03 121.76 119.17 1hj8 s ALA 129 Ca 0.29 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 1hj8 s ALA 129 Cb -0.17 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1hj8 s ALA 129 CO 0.15 -0.11 1.11 -1.25 0.00 0.00 0.00 175.76 175.65 1hj8 s PRO 130 N 0.22 2.71 0.21 0.00 0.04 -1.26 -4.96 135.00 131.96 1hj8 s PRO 130 Ca 0.49 0.38 -0.31 0.00 0.04 0.00 0.00 61.00 61.60 1hj8 s PRO 130 Cb -0.24 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.13 1hj8 s PRO 130 CO 0.30 -1.12 1.03 0.00 0.04 0.00 0.00 177.00 177.24 1hj8 n ALA 132 N -3.05 -1.00 0.00 8.56 0.00 -1.26 -2.09 120.51 121.67 1hj8 n ALA 132 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1hj8 n ALA 132 Cb 0.58 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1hj8 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hj8 n GLY 133 N 1.74 2.21 3.73 0.00 0.00 0.36 -4.97 105.19 108.27 1hj8 n GLY 133 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1hj8 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hj8 s THR 134 N -2.32 2.09 -0.10 2.61 2.01 -0.89 -4.63 115.64 114.41 1hj8 s THR 134 Ca 0.00 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 1hj8 s THR 134 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1hj8 s THR 134 CO 0.00 0.01 0.65 -0.32 -0.69 0.00 0.00 174.62 174.27 1hj8 s MET 135 N 0.36 4.38 0.38 4.92 -2.45 -1.26 -1.21 119.30 124.42 1hj8 s MET 135 Ca 0.69 0.76 0.04 0.00 -1.25 0.00 0.00 55.69 55.93 1hj8 s MET 135 Cb -0.48 -3.47 -0.06 0.00 1.25 0.00 0.00 34.83 32.07 1hj8 s MET 135 CO 0.40 0.03 0.05 0.00 1.05 0.00 0.00 175.02 176.55 1hj8 s THR 137 N -3.09 2.03 0.10 0.00 -1.32 0.13 -1.08 115.64 112.41 1hj8 s THR 137 Ca 0.31 -1.07 0.10 0.00 -1.21 0.00 0.00 61.69 59.82 1hj8 s THR 137 Cb 0.07 -1.71 -0.04 0.00 -1.51 0.00 0.00 72.50 69.32 1hj8 s THR 137 CO 0.15 0.57 -0.27 0.54 -2.21 0.00 0.00 174.62 173.40 1hj8 s VAL 138 N -0.30 2.20 0.08 5.08 0.11 -0.24 -0.67 120.40 126.65 1hj8 s VAL 138 Ca 0.01 -1.64 -0.08 0.00 -2.93 0.00 0.00 61.98 57.34 1hj8 s VAL 138 Cb -0.12 -1.93 -0.01 0.00 -1.53 0.00 0.00 36.38 32.79 1hj8 s VAL 138 CO 0.02 0.17 0.16 -0.94 -3.33 0.00 0.00 175.10 171.17 1hj8 s SER 139 N -1.81 0.17 0.00 3.54 1.04 -1.19 -1.15 113.70 114.31 1hj8 s SER 139 Ca 0.13 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1hj8 s SER 139 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1hj8 s SER 139 CO 0.05 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1hj8 n GLY 140 N -0.00 -0.80 0.99 7.32 0.00 -0.63 -4.39 105.19 107.67 1hj8 n GLY 140 Ca -0.15 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 44.76 1hj8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hj8 n TRP 141 N -0.62 1.05 -1.55 1.61 8.01 -1.26 -1.96 117.44 122.71 1hj8 n TRP 141 Ca 0.00 -0.86 -0.23 0.00 -1.31 0.00 0.00 57.50 55.11 1hj8 n TRP 141 Cb 0.00 -0.33 0.16 0.00 -2.01 0.00 0.00 31.31 29.14 1hj8 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1hj8 n GLY 142 N -0.38 -1.67 3.63 6.99 0.00 -1.25 -4.70 105.19 107.82 1hj8 n GLY 142 Ca 0.22 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.12 1hj8 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hj8 n ASN 143 N -3.81 2.14 -0.00 1.61 4.05 -1.26 -3.10 115.26 114.89 1hj8 n ASN 143 Ca 0.13 1.15 0.09 0.00 0.45 0.00 0.00 54.58 56.40 1hj8 n ASN 143 Cb 0.44 -1.35 -0.12 0.00 1.23 0.00 0.00 39.78 39.99 1hj8 n ASN 143 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1hj8 n THR 144 N 1.41 0.00 -3.75 -0.44 -2.24 -1.26 -1.03 114.28 106.98 1hj8 n THR 144 Ca 0.12 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.48 1hj8 n THR 144 Cb 0.30 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 1hj8 n THR 144 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1hj8 n MET 145 N -1.59 -2.87 -4.19 -0.78 2.81 -1.26 -4.29 117.12 104.95 1hj8 n MET 145 Ca 0.02 0.34 -0.17 0.00 -1.81 0.00 0.00 57.70 56.09 1hj8 n MET 145 Cb 0.34 -5.02 -0.15 0.00 -0.71 0.00 0.00 33.22 27.68 1hj8 n MET 145 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1hj8 s SER 146 N -2.92 0.71 0.00 7.83 0.15 -1.26 -5.00 113.70 113.21 1hj8 s SER 146 Ca 0.55 -0.11 0.12 0.00 0.70 0.00 0.00 55.95 57.21 1hj8 s SER 146 Cb -0.30 -0.10 0.60 0.00 -1.71 0.00 0.00 66.02 64.51 1hj8 s SER 146 CO 0.67 0.06 1.41 -1.54 1.20 0.00 0.00 173.24 175.04 1hj8 n SER 147 N 3.01 0.55 0.00 5.45 3.41 -1.26 -3.98 113.62 120.80 1hj8 n SER 147 Ca -0.14 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1hj8 n SER 147 Cb 0.57 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1hj8 n SER 147 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1hj8 n THR 148 N -0.33 0.00 -3.15 6.66 -2.24 -1.26 -5.07 114.28 108.90 1hj8 n THR 148 Ca 0.10 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 1hj8 n THR 148 Cb 0.12 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 1hj8 n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hj8 s ALA 149 N -0.09 3.53 -0.45 6.98 0.00 -1.26 -5.02 121.76 125.45 1hj8 s ALA 149 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 51.96 51.50 1hj8 s ALA 149 Cb 0.00 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1hj8 s ALA 149 CO 0.00 -0.47 0.60 0.34 0.00 0.00 0.00 175.76 176.23 1hj8 s ASP 150 N 1.13 6.27 0.43 0.00 -1.08 -1.26 -4.76 116.67 117.40 1hj8 s ASP 150 Ca 0.28 -0.54 0.29 0.00 -0.52 0.00 0.00 52.55 52.06 1hj8 s ASP 150 Cb -0.16 -2.30 1.54 0.00 -1.46 0.00 0.00 42.92 40.55 1hj8 s ASP 150 CO 0.11 -0.77 1.90 0.77 0.52 0.00 0.00 175.17 177.69 1hj8 h SER 152 N 8.88 0.00 1.75 -0.34 4.64 -1.89 -1.47 113.55 125.13 1hj8 h SER 152 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1hj8 h SER 152 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1hj8 h SER 152 CO 0.89 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 177.63 1hj8 h ASN 153 N 0.00 0.00 -3.51 4.97 2.35 -1.92 -3.40 115.58 114.07 1hj8 h ASN 153 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1hj8 h ASN 153 Cb 0.07 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.31 1hj8 h ASN 153 CO 0.00 0.00 -0.36 -0.54 -1.65 0.00 0.00 177.43 174.88 1hj8 s LYS 154 N -3.28 4.13 0.12 0.81 1.02 -0.55 -1.86 119.74 120.12 1hj8 s LYS 154 Ca 0.06 -0.05 -0.35 0.00 0.02 0.00 0.00 55.97 55.66 1hj8 s LYS 154 Cb 0.07 -3.53 -0.15 0.00 -0.52 0.00 0.00 37.83 33.70 1hj8 s LYS 154 CO 0.63 0.04 1.50 -0.11 -0.92 0.00 0.00 175.35 176.50 1hj8 n LEU 155 N 4.29 2.58 -4.77 3.17 7.94 -0.37 -4.85 117.00 124.98 1hj8 n LEU 155 Ca -0.12 1.09 -0.33 0.00 -1.11 0.00 0.00 56.01 55.54 1hj8 n LEU 155 Cb 0.52 -1.34 -0.07 0.00 0.53 0.00 0.00 43.42 43.06 1hj8 n LEU 155 CO 0.37 -0.55 -0.25 -1.10 -1.11 0.00 0.00 177.39 174.75 1hj8 s GLN 156 N 0.87 3.04 0.08 1.96 -1.52 -0.83 -0.91 119.66 122.36 1hj8 s GLN 156 Ca 0.81 -0.50 0.00 0.00 -1.95 0.00 0.00 55.36 53.72 1hj8 s GLN 156 Cb -0.78 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.13 1hj8 s GLN 156 CO 0.42 0.64 -0.03 0.00 -0.25 0.00 0.00 175.29 176.07 1hj8 s LEU 158 N -3.00 0.17 -0.16 0.00 2.96 -0.30 -1.03 118.68 117.31 1hj8 s LEU 158 Ca 0.12 0.84 -0.21 0.00 -0.22 0.00 0.00 54.13 54.66 1hj8 s LEU 158 Cb 0.07 1.34 -0.03 0.00 0.50 0.00 0.00 46.19 48.07 1hj8 s LEU 158 CO -0.06 -0.17 0.63 0.20 -1.32 0.00 0.00 176.35 175.64 1hj8 s ASN 159 N 0.88 6.75 -0.01 3.68 0.01 -1.26 -1.08 114.94 123.90 1hj8 s ASN 159 Ca -0.05 0.91 0.02 0.00 -0.71 0.00 0.00 52.86 53.03 1hj8 s ASN 159 Cb -0.06 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.24 1hj8 s ASN 159 CO -0.07 -0.22 -0.08 0.27 -1.51 0.00 0.00 177.10 175.49 1hj8 s ILE 160 N 1.58 0.66 0.15 0.60 -4.36 -0.24 -4.96 121.20 114.64 1hj8 s ILE 160 Ca 0.30 -0.33 -0.08 0.00 -0.26 0.00 0.00 60.65 60.29 1hj8 s ILE 160 Cb -0.16 -0.58 -0.06 0.00 1.25 0.00 0.00 42.46 42.91 1hj8 s ILE 160 CO 0.12 0.20 0.43 -2.16 0.24 0.00 0.00 174.94 173.77 1hj8 s PRO 161 N -0.00 3.71 0.14 0.37 0.04 -1.26 -0.75 135.00 137.25 1hj8 s PRO 161 Ca 0.00 0.09 -0.31 0.00 0.04 0.00 0.00 61.00 60.83 1hj8 s PRO 161 Cb -0.05 -2.83 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 1hj8 s PRO 161 CO -0.00 0.45 1.32 0.42 0.04 0.00 0.00 177.00 179.23 1hj8 s ILE 162 N -1.63 3.41 0.46 0.56 -1.09 -0.35 -1.34 121.20 121.22 1hj8 s ILE 162 Ca 0.41 1.06 -0.08 0.00 -2.23 0.00 0.00 60.65 59.81 1hj8 s ILE 162 Cb -0.12 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1hj8 s ILE 162 CO 0.22 0.11 0.80 -0.76 -1.23 0.00 0.00 174.94 174.08 1hj8 s LEU 163 N 0.64 3.68 0.68 2.97 1.43 -0.02 -0.49 118.68 127.57 1hj8 s LEU 163 Ca 0.60 1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1hj8 s LEU 163 Cb -0.35 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 41.89 1hj8 s LEU 163 CO 0.33 -0.52 1.21 -0.94 0.23 0.00 0.00 176.35 176.66 1hj8 s SER 164 N -3.71 4.58 0.21 2.29 1.04 -1.26 -4.68 113.70 112.17 1hj8 s SER 164 Ca 0.50 2.38 -0.09 0.00 0.48 0.00 0.00 55.95 59.22 1hj8 s SER 164 Cb -0.10 -2.59 0.27 0.00 0.10 0.00 0.00 66.02 63.69 1hj8 s SER 164 CO 0.40 -2.01 1.77 0.22 0.98 0.00 0.00 173.24 174.60 1hj8 h TYR 165 N 0.17 0.53 -0.63 5.02 3.20 -1.97 0.12 116.97 123.41 1hj8 h TYR 165 Ca -0.49 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.45 1hj8 h TYR 165 Cb 1.30 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.38 1hj8 h TYR 165 CO 0.46 0.19 0.36 1.03 -1.64 0.00 0.00 178.16 178.57 1hj8 h SER 166 N 0.53 0.57 0.00 -2.11 0.87 -1.99 0.51 113.55 111.92 1hj8 h SER 166 Ca 0.31 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.76 1hj8 h SER 166 Cb 0.31 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1hj8 h SER 166 CO -0.25 0.38 -0.40 0.44 -0.53 0.00 0.00 176.83 176.48 1hj8 h ASP 167 N 0.70 0.53 0.11 6.23 3.32 -1.78 0.26 116.42 125.79 1hj8 h ASP 167 Ca 0.27 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1hj8 h ASP 167 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1hj8 h ASP 167 CO -0.14 0.87 -0.13 0.00 -1.72 0.00 0.00 179.24 178.13 1hj8 h ASN 169 N -0.24 0.82 -0.71 0.00 -0.73 -0.89 -0.62 115.58 113.21 1hj8 h ASN 169 Ca -0.01 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1hj8 h ASN 169 Cb 0.21 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 1hj8 h ASN 169 CO -0.03 0.49 0.39 -1.13 -0.37 0.00 0.00 177.43 176.78 1hj8 h ASN 170 N 0.91 0.90 -0.48 1.15 -0.73 -0.83 -1.43 115.58 115.07 1hj8 h ASN 170 Ca 0.41 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.42 1hj8 h ASN 170 Cb 0.37 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 1hj8 h ASN 170 CO -0.17 0.74 -0.00 0.28 -0.37 0.00 0.00 177.43 177.90 1hj8 h SER 171 N 1.02 0.87 -2.19 1.15 0.02 -0.25 -3.37 113.55 110.79 1hj8 h SER 171 Ca 0.26 -0.23 -0.58 0.00 -0.84 0.00 0.00 61.79 60.40 1hj8 h SER 171 Cb 0.04 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 61.95 1hj8 h SER 171 CO -0.04 0.93 -0.93 -1.22 -1.14 0.00 0.00 176.83 174.44 1hj8 n TYR 172 N -4.20 0.73 -1.69 3.45 4.01 -0.90 -4.92 117.16 113.64 1hj8 n TYR 172 Ca 0.03 -3.71 -0.44 0.00 -0.16 0.00 0.00 57.90 53.62 1hj8 n TYR 172 Cb 0.32 -0.31 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 1hj8 n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1hj8 n PRO 173 N 1.58 2.60 -0.97 -0.72 -0.02 -0.59 -1.30 135.00 135.58 1hj8 n PRO 173 Ca 0.25 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.67 1hj8 n PRO 173 Cb 0.48 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1hj8 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hj8 n GLY 174 N 4.13 0.85 0.56 -1.23 0.00 -1.26 -4.86 105.19 103.38 1hj8 n GLY 174 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1hj8 n GLY 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hj8 n MET 175 N -2.10 1.37 -3.56 1.61 2.81 -0.42 -4.88 117.12 111.95 1hj8 n MET 175 Ca 0.00 -1.13 -0.40 0.00 -1.81 0.00 0.00 57.70 54.36 1hj8 n MET 175 Cb 0.01 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 30.93 1hj8 n MET 175 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1hj8 s ILE 176 N -2.41 5.14 0.59 2.02 -1.09 -1.26 -5.03 121.20 119.16 1hj8 s ILE 176 Ca 0.20 -0.25 0.09 0.00 -2.23 0.00 0.00 60.65 58.46 1hj8 s ILE 176 Cb 0.18 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.53 1hj8 s ILE 176 CO 0.53 0.01 0.81 0.35 -1.23 0.00 0.00 174.94 175.41 1hj8 n THR 177 N 5.08 0.00 0.24 2.92 -2.24 -1.26 -4.98 114.28 114.04 1hj8 n THR 177 Ca -0.13 -1.89 0.07 0.00 -2.27 0.00 0.00 64.05 59.83 1hj8 n THR 177 Cb 0.50 -0.55 0.34 0.00 -2.10 0.00 0.00 70.33 68.52 1hj8 n THR 177 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hj8 n ASN 178 N -2.38 0.31 -1.36 3.42 4.13 -1.26 -2.00 115.26 116.11 1hj8 n ASN 178 Ca 0.16 0.61 0.09 0.00 1.68 0.00 0.00 54.58 57.13 1hj8 n ASN 178 Cb 0.59 -0.66 0.32 0.00 -1.54 0.00 0.00 39.78 38.49 1hj8 n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hj8 n ALA 179 N -1.64 2.83 -2.61 5.41 0.00 -1.26 -4.91 120.51 118.33 1hj8 n ALA 179 Ca 0.01 -1.55 -0.17 0.00 0.00 0.00 0.00 53.44 51.73 1hj8 n ALA 179 Cb 0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1hj8 n ALA 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1hj8 s MET 180 N -1.67 0.84 0.05 0.00 -1.94 -0.85 -0.97 119.30 114.77 1hj8 s MET 180 Ca 0.46 -1.05 -0.02 0.00 -1.71 0.00 0.00 55.69 53.37 1hj8 s MET 180 Cb 0.29 -0.71 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1hj8 s MET 180 CO 0.24 0.14 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.79 1hj8 s PHE 181 N -1.79 0.48 0.08 -0.03 -0.71 -0.29 -4.77 117.98 110.95 1hj8 s PHE 181 Ca 0.02 -1.01 0.03 0.00 -1.04 0.00 0.00 56.93 54.93 1hj8 s PHE 181 Cb -0.07 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.35 1hj8 s PHE 181 CO 0.02 -0.39 0.08 0.00 -1.34 0.00 0.00 175.22 173.59 1hj8 s ALA 183 N -1.38 -1.19 0.00 0.00 0.00 -0.73 -0.84 121.76 117.63 1hj8 s ALA 183 Ca 0.29 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1hj8 s ALA 183 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1hj8 s ALA 183 CO 0.22 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1hj8 n GLY 184 N 1.67 0.34 2.64 0.00 0.00 -0.45 -3.00 105.19 106.38 1hj8 n GLY 184 Ca -0.18 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 1hj8 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hj8 s TYR 184 N -2.15 0.15 0.06 1.61 2.02 -1.26 -4.30 117.35 113.48 1hj8 s TYR 184 Ca 0.00 -0.09 0.33 0.00 -0.37 0.00 0.00 57.07 56.94 1hj8 s TYR 184 Cb 0.00 -0.61 1.48 0.00 -0.40 0.00 0.00 41.96 42.43 1hj8 s TYR 184 CO 0.00 -0.38 1.98 -0.07 -1.57 0.00 0.00 175.55 175.50 1hj8 h LEU 185 N 8.43 0.00 -1.13 -1.29 3.38 -1.95 -1.66 115.31 121.08 1hj8 h LEU 185 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1hj8 h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1hj8 h LEU 185 CO 0.23 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.43 1hj8 h GLU 186 N 0.00 0.00 0.00 1.13 4.39 -1.95 0.38 114.58 118.53 1hj8 h GLU 186 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1hj8 h GLU 186 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1hj8 h GLU 186 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1hj8 n GLY 187 N -0.26 -1.08 0.32 -3.84 0.00 -0.63 -4.41 105.19 95.29 1hj8 n GLY 187 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1hj8 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hj8 n GLY 188 N -1.21 2.48 2.69 -0.02 0.00 -0.03 -4.94 105.19 104.16 1hj8 n GLY 188 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1hj8 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hj8 s LYS 188 N -0.91 0.19 0.03 1.61 1.02 -1.26 -3.78 119.74 116.64 1hj8 s LYS 188 Ca 0.00 0.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.85 1hj8 s LYS 188 Cb 0.00 -1.04 0.09 0.00 -0.52 0.00 0.00 37.83 36.37 1hj8 s LYS 188 CO 0.00 -0.42 0.99 0.34 -0.92 0.00 0.00 175.35 175.35 1hj8 s ASP 189 N 2.08 -0.24 0.78 2.83 2.15 -0.58 -4.32 116.67 119.38 1hj8 s ASP 189 Ca 0.04 -0.16 -0.11 0.00 0.43 0.00 0.00 52.55 52.75 1hj8 s ASP 189 Cb -0.13 0.37 0.07 0.00 -0.30 0.00 0.00 42.92 42.93 1hj8 s ASP 189 CO -0.05 -0.64 1.14 -0.94 -0.17 0.00 0.00 175.17 174.50 1hj8 s SER 190 N -2.67 4.64 0.32 -0.34 1.04 -1.26 -0.27 113.70 115.16 1hj8 s SER 190 Ca 0.09 0.73 -0.06 0.00 0.48 0.00 0.00 55.95 57.18 1hj8 s SER 190 Cb -0.00 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.84 1hj8 s SER 190 CO -0.04 -1.80 0.51 0.00 0.98 0.00 0.00 173.24 172.89 1hj8 h GLN 192 N 2.14 -0.35 0.00 0.00 7.50 -1.93 -0.34 115.11 122.13 1hj8 h GLN 192 Ca -0.28 0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.89 1hj8 h GLN 192 Cb 1.24 0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.85 1hj8 h GLN 192 CO 0.39 -0.23 0.10 0.41 -1.50 0.00 0.00 178.83 177.99 1hj8 n GLY 193 N -1.42 -0.47 0.08 3.46 0.00 -1.26 -1.42 105.19 104.17 1hj8 n GLY 193 Ca -0.01 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1hj8 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hj8 h ASP 194 N 0.00 0.00 -2.22 1.61 3.32 -1.38 -3.32 116.42 114.43 1hj8 h ASP 194 Ca 0.00 -0.14 -0.62 0.00 0.02 0.00 0.00 57.03 56.29 1hj8 h ASP 194 Cb 0.19 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.85 1hj8 h ASP 194 CO 0.00 0.07 0.09 -1.20 -1.72 0.00 0.00 179.24 176.48 1hj8 n SER 195 N -2.23 1.05 0.00 6.45 7.64 -0.51 -1.59 113.62 124.44 1hj8 n SER 195 Ca 0.04 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1hj8 n SER 195 Cb 0.45 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1hj8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hj8 n GLY 196 N 1.45 3.02 3.82 0.23 0.00 -0.09 -0.24 105.19 113.38 1hj8 n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1hj8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hj8 s GLY 197 N -1.87 1.70 0.30 -0.02 0.00 -0.62 -3.20 107.32 103.62 1hj8 s GLY 197 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 44.72 43.50 1hj8 s GLY 197 CO 0.00 -0.28 0.76 2.56 0.00 0.00 0.00 173.10 176.14 1hj8 s PRO 198 N -5.69 4.10 -0.23 2.90 0.04 -1.26 -1.08 135.00 133.78 1hj8 s PRO 198 Ca 0.72 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1hj8 s PRO 198 Cb -0.07 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 31.98 1hj8 s PRO 198 CO 0.54 0.21 -0.14 0.08 0.04 0.00 0.00 177.00 177.72 1hj8 s VAL 199 N -1.87 2.15 -0.17 -0.36 1.01 -0.16 -3.17 120.40 117.83 1hj8 s VAL 199 Ca 0.52 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1hj8 s VAL 199 Cb -0.12 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1hj8 s VAL 199 CO 0.18 0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.81 1hj8 s VAL 200 N 1.18 4.49 -0.08 2.92 1.01 0.16 -1.31 120.40 128.76 1hj8 s VAL 200 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1hj8 s VAL 200 Cb -0.17 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1hj8 s VAL 200 CO -0.08 0.47 -0.13 0.00 0.00 0.00 0.00 175.10 175.36 1hj8 n ASN 202 N 4.01 -3.47 0.00 0.00 5.03 -1.26 -1.90 115.26 117.67 1hj8 n ASN 202 Ca -0.21 -0.96 0.00 0.00 0.87 0.00 0.00 54.58 54.28 1hj8 n ASN 202 Cb 0.51 -2.83 0.00 0.00 -1.02 0.00 0.00 39.78 36.44 1hj8 n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hj8 n GLY 203 N -1.39 1.46 3.39 7.41 0.00 -1.26 -5.03 105.19 109.78 1hj8 n GLY 203 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1hj8 n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hj8 s GLU 204 N -0.30 1.46 -0.97 1.61 2.02 -0.80 -4.47 118.70 117.25 1hj8 s GLU 204 Ca 0.00 -1.66 -0.24 0.00 0.02 0.00 0.00 54.97 53.09 1hj8 s GLU 204 Cb 0.00 -1.33 0.05 0.00 0.10 0.00 0.00 34.13 32.95 1hj8 s GLU 204 CO 0.00 0.22 1.42 -1.17 0.02 0.00 0.00 175.26 175.75 1hj8 s LEU 209 N -3.39 3.45 0.09 1.80 2.96 -0.18 -1.16 118.68 122.25 1hj8 s LEU 209 Ca 0.25 -1.27 0.09 0.00 -0.22 0.00 0.00 54.13 52.98 1hj8 s LEU 209 Cb -0.02 -2.57 -0.20 0.00 0.50 0.00 0.00 46.19 43.91 1hj8 s LEU 209 CO 0.10 -1.57 1.14 1.56 -1.32 0.00 0.00 176.35 176.26 1hj8 h GLN 210 N 9.84 0.00 -4.28 1.98 1.08 -1.52 -3.39 115.11 118.82 1hj8 h GLN 210 Ca 0.11 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.18 1hj8 h GLN 210 Cb 1.02 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.30 1hj8 h GLN 210 CO 1.40 0.85 -0.68 0.20 -0.95 0.00 0.00 178.83 179.65 1hj8 s GLY 211 N -4.79 0.55 -0.09 3.46 0.00 -0.71 -1.75 107.32 103.99 1hj8 s GLY 211 Ca -0.00 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.50 1hj8 s GLY 211 CO 0.82 -1.33 -0.18 0.14 0.00 0.00 0.00 173.10 172.54 1hj8 s VAL 212 N -3.92 1.64 0.04 1.40 1.01 -0.97 -0.99 120.40 118.62 1hj8 s VAL 212 Ca 0.09 -0.77 -0.32 0.00 0.00 0.00 0.00 61.98 60.99 1hj8 s VAL 212 Cb 0.08 -1.45 -0.11 0.00 0.00 0.00 0.00 36.38 34.90 1hj8 s VAL 212 CO -0.08 0.47 1.85 0.52 0.00 0.00 0.00 175.10 177.85 1hj8 n VAL 213 N 3.74 0.48 0.02 2.92 0.31 -0.24 -1.09 118.33 124.46 1hj8 n VAL 213 Ca -0.21 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1hj8 n VAL 213 Cb 0.52 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1hj8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1hj8 n SER 214 N 6.08 0.32 -3.34 4.52 2.88 -0.95 -0.91 113.62 122.22 1hj8 n SER 214 Ca 0.20 0.06 -0.08 0.00 -1.33 0.00 0.00 58.87 57.71 1hj8 n SER 214 Cb 0.35 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1hj8 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1hj8 s TRP 215 N -1.33 0.07 0.00 0.66 1.48 -0.69 -4.94 118.94 114.18 1hj8 s TRP 215 Ca 0.00 -0.63 0.00 0.00 -1.06 0.00 0.00 56.10 54.41 1hj8 s TRP 215 Cb 0.00 0.71 0.00 0.00 -1.16 0.00 0.00 33.47 33.02 1hj8 s TRP 215 CO 0.00 -1.40 0.00 0.41 -4.06 0.00 0.00 176.95 171.90 1hj8 n GLY 216 N -0.50 0.90 3.57 3.67 0.00 -1.26 -0.58 105.19 110.99 1hj8 n GLY 216 Ca -0.06 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1hj8 n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hj8 s TYR 217 N -2.00 3.08 0.00 1.61 1.51 -1.26 -4.87 117.35 115.41 1hj8 s TYR 217 Ca 0.00 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.44 1hj8 s TYR 217 Cb 0.00 -3.44 0.00 0.00 -0.11 0.00 0.00 41.96 38.41 1hj8 s TYR 217 CO 0.00 -0.80 0.00 0.41 -1.11 0.00 0.00 175.55 174.05 1hj8 n GLY 219 N 4.72 0.97 3.63 0.71 0.00 -1.26 -4.69 105.19 109.26 1hj8 n GLY 219 Ca 0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1hj8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hj8 n ALA 221 N 3.23 -0.37 -2.04 0.00 0.00 -1.26 -4.95 120.51 115.12 1hj8 n ALA 221 Ca -0.16 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1hj8 n ALA 221 Cb 0.56 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 1hj8 n ALA 221 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hj8 s GLU 221 N -4.11 4.37 0.33 0.00 2.02 -1.26 -0.85 118.70 119.21 1hj8 s GLU 221 Ca 0.00 1.00 -0.28 0.00 0.02 0.00 0.00 54.97 55.70 1hj8 s GLU 221 Cb 0.00 -2.98 -0.12 0.00 0.10 0.00 0.00 34.13 31.12 1hj8 s GLU 221 CO 0.00 0.44 1.28 -2.30 0.02 0.00 0.00 175.26 174.69 1hj8 n PRO 222 N 0.96 2.07 -0.82 0.39 -0.02 -1.26 -2.13 135.00 134.20 1hj8 n PRO 222 Ca -0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1hj8 n PRO 222 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1hj8 n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hj8 n GLY 223 N 0.89 0.96 2.40 -1.23 0.00 0.12 -4.93 105.19 103.40 1hj8 n GLY 223 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1hj8 n GLY 223 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hj8 n ASN 224 N 0.00 3.15 -4.74 1.61 5.03 -0.90 -4.76 115.26 114.64 1hj8 n ASN 224 Ca 0.00 -3.32 -0.30 0.00 0.87 0.00 0.00 54.58 51.83 1hj8 n ASN 224 Cb 0.00 -0.66 0.13 0.00 -1.02 0.00 0.00 39.78 38.23 1hj8 n ASN 224 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1hj8 s PRO 225 N -2.31 1.47 0.42 3.52 0.04 -1.26 -4.41 135.00 132.47 1hj8 s PRO 225 Ca 0.40 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.94 1hj8 s PRO 225 Cb 0.16 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.78 1hj8 s PRO 225 CO -0.03 -2.07 1.18 0.20 0.04 0.00 0.00 177.00 176.32 1hj8 s GLY 226 N -3.58 2.84 -0.08 0.56 0.00 -1.16 -4.63 107.32 101.27 1hj8 s GLY 226 Ca 0.63 0.99 0.04 0.00 0.00 0.00 0.00 44.72 46.37 1hj8 s GLY 226 CO 0.56 1.49 -0.19 0.14 0.00 0.00 0.00 173.10 175.09 1hj8 s VAL 227 N -1.44 2.53 0.02 1.40 1.01 0.26 -1.77 120.40 122.41 1hj8 s VAL 227 Ca 0.60 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1hj8 s VAL 227 Cb -0.31 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1hj8 s VAL 227 CO 0.38 0.56 -0.16 -0.31 0.00 0.00 0.00 175.10 175.58 1hj8 s TYR 228 N -0.06 1.37 0.22 5.22 1.51 0.32 -1.71 117.35 124.22 1hj8 s TYR 228 Ca -0.05 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 1hj8 s TYR 228 Cb -0.14 -0.84 -0.09 0.00 -0.11 0.00 0.00 41.96 40.78 1hj8 s TYR 228 CO 0.04 0.02 1.29 0.00 -1.11 0.00 0.00 175.55 175.80 1hj8 s ALA 229 N -0.65 3.51 -0.97 3.71 0.00 -0.25 -1.14 121.76 125.97 1hj8 s ALA 229 Ca 0.04 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 1hj8 s ALA 229 Cb -0.07 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 19.73 1hj8 s ALA 229 CO 0.01 -0.52 1.13 0.21 0.00 0.00 0.00 175.76 176.59 1hj8 s LYS 230 N -0.40 3.71 0.35 0.00 2.20 -0.15 -2.29 119.74 123.16 1hj8 s LYS 230 Ca 0.55 -2.05 0.04 0.00 -0.36 0.00 0.00 55.97 54.15 1hj8 s LYS 230 Cb -0.36 -4.86 0.68 0.00 -1.51 0.00 0.00 37.83 31.77 1hj8 s LYS 230 CO 0.40 -1.69 1.95 0.28 -0.36 0.00 0.00 175.35 175.94 1hj8 h VAL 231 N 5.41 1.05 -0.15 4.02 2.07 -1.62 -2.39 116.25 124.64 1hj8 h VAL 231 Ca 0.18 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1hj8 h VAL 231 Cb 1.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1hj8 h VAL 231 CO 1.08 0.15 0.14 0.00 0.02 0.00 0.00 177.57 178.96 1hj8 n ILE 233 N -4.00 0.04 -0.18 0.00 -5.35 -0.90 -3.62 119.36 105.35 1hj8 n ILE 233 Ca 0.01 -0.32 0.09 0.00 -0.27 0.00 0.00 62.75 62.26 1hj8 n ILE 233 Cb 0.26 0.66 0.22 0.00 -1.74 0.00 0.00 39.64 39.04 1hj8 n ILE 233 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1hj8 n PHE 234 N 0.42 0.65 -0.25 4.28 3.72 -0.57 -4.73 117.46 120.98 1hj8 n PHE 234 Ca 0.18 -0.45 -0.00 0.00 -0.05 0.00 0.00 57.45 57.12 1hj8 n PHE 234 Cb 0.40 -0.01 0.12 0.00 -0.94 0.00 0.00 39.48 39.04 1hj8 n PHE 234 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1hj8 h ASN 235 N 3.16 0.57 -0.09 4.37 -1.24 -1.62 0.22 115.58 120.95 1hj8 h ASN 235 Ca 0.00 0.04 -0.15 0.00 0.71 0.00 0.00 56.30 56.90 1hj8 h ASN 235 Cb 0.85 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 1hj8 h ASN 235 CO 0.00 0.35 -0.45 0.44 -1.29 0.00 0.00 177.43 176.48 1hj8 h ASP 236 N 0.70 0.68 -0.18 1.15 3.32 -1.90 -0.47 116.42 119.73 1hj8 h ASP 236 Ca 0.32 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1hj8 h ASP 236 Cb 0.24 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1hj8 h ASP 236 CO -0.20 1.04 0.07 -0.25 -1.72 0.00 0.00 179.24 178.17 1hj8 h TRP 237 N 0.51 0.28 0.05 4.55 7.01 -1.78 -1.49 115.95 125.08 1hj8 h TRP 237 Ca 0.03 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 1hj8 h TRP 237 Cb 0.98 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.96 1hj8 h TRP 237 CO 0.04 0.35 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.95 1hj8 h LEU 238 N 0.13 -0.05 -0.43 0.65 3.38 -0.72 -1.06 115.31 117.20 1hj8 h LEU 238 Ca 0.06 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1hj8 h LEU 238 Cb 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1hj8 h LEU 238 CO -0.00 -0.03 -0.55 0.71 0.09 0.00 0.00 178.44 178.66 1hj8 h THR 239 N -0.07 1.30 -0.73 0.22 1.35 -1.10 -1.74 112.91 112.13 1hj8 h THR 239 Ca -0.01 -1.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.05 1hj8 h THR 239 Cb 0.06 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 1hj8 h THR 239 CO 0.01 0.56 0.31 -1.28 -0.25 0.00 0.00 175.52 174.87 1hj8 h SER 240 N 0.53 1.00 -0.19 5.36 0.87 -1.21 -1.68 113.55 118.23 1hj8 h SER 240 Ca 0.01 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1hj8 h SER 240 Cb 1.12 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1hj8 h SER 240 CO 0.11 0.88 -0.02 0.74 -0.53 0.00 0.00 176.83 178.01 1hj8 h THR 241 N 1.04 1.27 0.00 2.23 2.02 -1.05 -3.08 112.91 115.35 1hj8 h THR 241 Ca 0.25 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1hj8 h THR 241 Cb 0.19 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1hj8 h THR 241 CO -0.02 0.29 -0.23 0.24 0.37 0.00 0.00 175.52 176.17 1hj8 h MET 242 N 0.08 0.00 0.00 6.66 2.86 -1.18 -2.88 114.93 120.47 1hj8 h MET 242 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1hj8 h MET 242 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1hj8 h MET 242 CO 0.01 0.23 0.00 0.00 1.06 0.00 0.00 176.91 178.21 1hj8 h ALA 243 N 1.77 1.00 0.00 6.32 0.00 -1.21 -3.35 119.26 123.79 1hj8 h ALA 243 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1hj8 h ALA 243 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.41 1hj8 h ALA 243 CO 0.03 0.00 3.38 0.43 0.00 0.00 0.00 179.25 183.09 1hj8 n SER 244 N -2.35 7.25 0.00 0.00 7.64 -1.09 -5.10 113.62 119.96 1hj8 n SER 244 Ca 0.04 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.45 1hj8 n SER 244 Cb 0.39 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1hj8 n SER 244 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81