#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hql s VAL 5 N 0.00 2.98 -0.05 2.46 1.01 -1.20 -4.94 120.40 120.67 1hql s VAL 5 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1hql s VAL 5 Cb 0.00 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1hql s VAL 5 CO 0.00 0.47 0.64 -0.94 0.00 0.00 0.00 175.10 175.27 1hql s SER 6 N -1.07 -0.61 0.06 3.32 1.04 -1.26 0.11 113.70 115.29 1hql s SER 6 Ca 0.13 0.66 -0.22 0.00 0.48 0.00 0.00 55.95 57.00 1hql s SER 6 Cb -0.11 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1hql s SER 6 CO 0.03 -0.58 0.52 0.72 0.98 0.00 0.00 173.24 174.91 1hql s PHE 7 N -1.18 -0.42 -0.04 5.02 -0.12 0.42 -4.98 117.98 116.67 1hql s PHE 7 Ca -0.11 0.44 -0.00 0.00 -0.05 0.00 0.00 56.93 57.21 1hql s PHE 7 Cb -0.01 0.35 0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1hql s PHE 7 CO 0.09 -0.66 0.01 0.99 -0.05 0.00 0.00 175.22 175.60 1hql s THR 8 N -2.57 0.19 -0.40 -4.49 2.01 -1.26 -0.84 115.64 108.29 1hql s THR 8 Ca -0.05 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1hql s THR 8 Cb -0.01 -0.32 0.11 0.00 0.01 0.00 0.00 72.50 72.29 1hql s THR 8 CO -0.03 0.18 0.12 -0.36 -0.69 0.00 0.00 174.62 173.85 1hql s PHE 9 N 1.42 3.36 0.37 4.92 0.40 0.22 -4.93 117.98 123.74 1hql s PHE 9 Ca -0.04 -2.94 0.36 0.00 -0.60 0.00 0.00 56.93 53.71 1hql s PHE 9 Cb -0.13 -2.76 1.76 0.00 0.51 0.00 0.00 43.02 42.40 1hql s PHE 9 CO -0.03 -0.87 2.14 -1.00 0.70 0.00 0.00 175.22 176.16 1hql h PRO 10 N 7.27 0.00 0.00 0.24 0.13 -1.90 0.94 132.00 138.68 1hql h PRO 10 Ca -0.06 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.24 1hql h PRO 10 Cb 0.98 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 1hql h PRO 10 CO 0.56 0.03 0.55 0.27 -0.23 0.00 0.00 178.00 179.19 1hql n ASN 11 N -3.20 -1.34 -1.32 1.44 0.23 -1.25 -4.52 115.26 105.29 1hql n ASN 11 Ca -0.01 -1.63 -0.07 0.00 -0.53 0.00 0.00 54.58 52.34 1hql n ASN 11 Cb 0.21 2.16 0.12 0.00 -2.08 0.00 0.00 39.78 40.19 1hql n ASN 11 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1hql n PHE 12 N -0.64 1.21 0.09 -2.53 3.01 0.44 -4.73 117.46 114.31 1hql n PHE 12 Ca -0.00 -1.78 -0.04 0.00 1.01 0.00 0.00 57.45 56.63 1hql n PHE 12 Cb 0.48 -0.28 0.13 0.00 -0.01 0.00 0.00 39.48 39.80 1hql n PHE 12 CO 0.00 0.00 0.00 -1.49 1.01 0.00 0.00 176.76 176.28 1hql h TRP 13 N 1.56 0.26 -4.13 1.38 4.06 -1.93 -3.38 115.95 113.76 1hql h TRP 13 Ca 0.14 -0.10 -0.45 0.00 2.06 0.00 0.00 58.89 60.54 1hql h TRP 13 Cb 1.28 -0.04 0.14 0.00 -1.00 0.00 0.00 29.16 29.53 1hql h TRP 13 CO 0.76 0.76 0.29 -1.54 -3.56 0.00 0.00 178.44 175.16 1hql s SER 14 N -6.89 3.17 -1.29 -3.49 1.04 -1.26 -4.90 113.70 100.08 1hql s SER 14 Ca -0.04 0.85 -0.17 0.00 0.48 0.00 0.00 55.95 57.07 1hql s SER 14 Cb 0.12 -1.32 0.08 0.00 0.10 0.00 0.00 66.02 65.00 1hql s SER 14 CO 0.79 -2.75 1.72 0.47 0.98 0.00 0.00 173.24 174.45 1hql n ASP 15 N -3.88 4.95 -0.30 7.02 8.00 -1.26 -4.77 116.55 126.31 1hql n ASP 15 Ca 0.08 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.66 1hql n ASP 15 Cb 0.59 -1.72 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 1hql n ASP 15 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1hql n VAL 16 N 6.10 0.00 -0.09 2.53 0.24 -1.26 -4.00 118.33 121.84 1hql n VAL 16 Ca 0.47 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.71 1hql n VAL 16 Cb 0.45 -0.26 0.01 0.00 -1.47 0.00 0.00 33.84 32.58 1hql n VAL 16 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1hql h GLU 17 N 0.24 0.15 -1.92 7.34 5.08 -1.86 -1.11 114.58 122.51 1hql h GLU 17 Ca 0.00 -0.01 -0.43 0.00 -1.00 0.00 0.00 59.36 57.92 1hql h GLU 17 Cb 0.18 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.23 1hql h GLU 17 CO 0.00 0.10 0.31 -0.25 -1.00 0.00 0.00 179.01 178.17 1hql n ASP 18 N -5.12 6.33 0.00 1.42 8.00 -1.26 -3.71 116.55 122.22 1hql n ASP 18 Ca 0.01 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.41 1hql n ASP 18 Cb 0.16 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1hql n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hql n SER 19 N 0.96 0.00 -4.10 -2.24 7.64 -1.02 -5.05 113.62 109.81 1hql n SER 19 Ca 0.45 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 60.05 1hql n SER 19 Cb 0.59 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.63 1hql n SER 19 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1hql s ILE 20 N -0.38 1.49 -0.33 0.44 1.01 -0.45 -0.71 121.20 122.27 1hql s ILE 20 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 1hql s ILE 20 Cb 0.00 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1hql s ILE 20 CO 0.00 0.43 0.47 -0.63 0.00 0.00 0.00 174.94 175.21 1hql s ILE 21 N 0.48 5.07 -0.18 2.92 1.01 0.18 -4.74 121.20 125.95 1hql s ILE 21 Ca -0.15 0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 1hql s ILE 21 Cb -0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1hql s ILE 21 CO 0.05 -0.12 0.47 -0.36 0.00 0.00 0.00 174.94 174.98 1hql s PHE 22 N 2.27 3.42 0.12 3.97 0.40 -1.26 -1.39 117.98 125.51 1hql s PHE 22 Ca 0.17 0.76 0.09 0.00 -0.60 0.00 0.00 56.93 57.36 1hql s PHE 22 Cb -0.16 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 1hql s PHE 22 CO 0.12 0.01 -0.20 -0.65 0.70 0.00 0.00 175.22 175.20 1hql s GLN 23 N 1.23 1.70 6.74 0.44 -0.21 0.03 -4.93 119.66 124.66 1hql s GLN 23 Ca 0.23 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.39 1hql s GLN 23 Cb -0.15 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.79 1hql s GLN 23 CO 0.09 0.47 0.00 0.41 -2.12 0.00 0.00 175.29 174.14 1hql n GLY 24 N 0.79 3.30 0.11 3.09 0.00 -1.26 -1.70 105.19 109.51 1hql n GLY 24 Ca -0.16 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.79 1hql n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hql n ASP 25 N 3.19 0.75 -4.51 1.61 9.92 0.20 -4.93 116.55 122.79 1hql n ASP 25 Ca 0.00 0.59 -0.45 0.00 -0.53 0.00 0.00 54.79 54.40 1hql n ASP 25 Cb 0.00 -0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 39.68 1hql n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hql n ALA 26 N -1.77 -1.26 -3.80 2.24 0.00 0.26 -4.57 120.51 111.61 1hql n ALA 26 Ca 0.05 0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.86 1hql n ALA 26 Cb 0.38 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1hql n ALA 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hql s ASN 27 N -0.76 -0.04 0.05 0.00 3.84 -0.86 -4.62 114.94 112.56 1hql s ASN 27 Ca 0.61 -0.29 -0.07 0.00 0.21 0.00 0.00 52.86 53.32 1hql s ASN 27 Cb -0.76 0.25 -0.05 0.00 -0.55 0.00 0.00 41.25 40.15 1hql s ASN 27 CO 0.58 -0.49 0.32 0.42 -2.79 0.00 0.00 177.10 175.15 1hql s THR 28 N -2.33 5.22 -0.18 -5.21 -4.23 -1.26 -0.84 115.64 106.81 1hql s THR 28 Ca 0.20 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1hql s THR 28 Cb 0.01 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 70.32 1hql s THR 28 CO -0.00 0.29 0.13 -0.89 -0.54 0.00 0.00 174.62 173.61 1hql s THR 29 N -1.39 -0.16 -1.24 3.99 2.01 0.94 -4.86 115.64 114.94 1hql s THR 29 Ca 0.31 -0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.98 1hql s THR 29 Cb -0.13 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1hql s THR 29 CO 0.18 -0.26 0.65 0.00 -0.69 0.00 0.00 174.62 174.50 1hql n ALA 30 N 5.29 -2.42 -0.99 7.40 0.00 -1.26 -1.36 120.51 127.18 1hql n ALA 30 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1hql n ALA 30 Cb 0.49 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1hql n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hql n GLY 31 N -1.89 0.86 3.48 0.00 0.00 -1.26 -4.95 105.19 101.43 1hql n GLY 31 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1hql n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hql s THR 32 N -3.47 0.95 -0.20 2.61 -4.23 -0.46 -0.42 115.64 110.42 1hql s THR 32 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 1hql s THR 32 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1hql s THR 32 CO 0.00 0.00 0.07 -0.76 -0.54 0.00 0.00 174.62 173.39 1hql s LEU 33 N -3.54 3.74 -0.32 4.79 1.43 0.37 -0.04 118.68 125.11 1hql s LEU 33 Ca 0.30 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1hql s LEU 33 Cb 0.06 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.39 1hql s LEU 33 CO 0.14 0.11 0.02 -1.58 0.23 0.00 0.00 176.35 175.28 1hql s GLN 34 N 0.73 2.20 0.16 1.70 0.74 -0.02 -1.06 119.66 124.10 1hql s GLN 34 Ca 0.04 -1.45 -0.10 0.00 0.05 0.00 0.00 55.36 53.89 1hql s GLN 34 Cb -0.13 -3.20 -0.00 0.00 1.10 0.00 0.00 33.01 30.78 1hql s GLN 34 CO 0.02 -0.73 1.53 -0.07 -0.55 0.00 0.00 175.29 175.50 1hql h LEU 35 N 7.91 1.03 -9.14 3.68 -0.00 -1.81 -2.28 115.31 114.69 1hql h LEU 35 Ca -0.17 -0.41 -0.68 0.00 -0.00 0.00 0.00 57.88 56.63 1hql h LEU 35 Cb 1.05 -0.28 -0.18 0.00 -0.00 0.00 0.00 40.66 41.24 1hql h LEU 35 CO 0.54 1.21 -0.74 0.00 -0.00 0.00 0.00 178.44 179.46 1hql s LYS 37 N -1.58 3.75 0.12 0.00 1.02 -1.26 -4.94 119.74 116.85 1hql s LYS 37 Ca 0.17 1.17 0.06 0.00 0.02 0.00 0.00 55.97 57.39 1hql s LYS 37 Cb -0.11 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1hql s LYS 37 CO 0.08 -0.45 -0.14 0.95 -0.92 0.00 0.00 175.35 174.87 1hql s THR 38 N -2.33 1.35 0.68 2.17 -4.23 -1.26 -1.63 115.64 110.38 1hql s THR 38 Ca 0.63 -1.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.34 1hql s THR 38 Cb -0.13 -1.51 0.16 0.00 1.34 0.00 0.00 72.50 72.36 1hql s THR 38 CO 0.27 -0.38 0.83 -0.46 -0.54 0.00 0.00 174.62 174.34 1hql n ASN 39 N 0.61 -0.34 0.00 3.99 0.23 0.41 -4.85 115.26 115.30 1hql n ASN 39 Ca -0.16 -1.23 0.06 0.00 -0.53 0.00 0.00 54.58 52.73 1hql n ASN 39 Cb 0.57 -0.66 0.30 0.00 -2.08 0.00 0.00 39.78 37.90 1hql n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hql n GLN 40 N -3.04 0.06 -0.35 -3.83 0.00 -1.26 -1.37 117.38 107.60 1hql n GLN 40 Ca 0.11 0.24 0.12 0.00 0.00 0.00 0.00 57.00 57.46 1hql n GLN 40 Cb 0.38 -1.50 0.31 0.00 0.00 0.00 0.00 30.24 29.43 1hql n GLN 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1hql n TYR 41 N -1.43 0.92 -0.96 2.61 4.02 -1.26 -4.93 117.16 116.13 1hql n TYR 41 Ca 0.04 -0.46 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 1hql n TYR 41 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1hql n TYR 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hql n GLY 42 N 1.66 0.57 3.68 2.72 0.00 -0.47 -5.00 105.19 108.35 1hql n GLY 42 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1hql n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hql s THR 43 N -2.46 4.94 0.27 2.61 2.01 -1.26 -4.76 115.64 116.99 1hql s THR 43 Ca 0.00 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.23 1hql s THR 43 Cb 0.00 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 1hql s THR 43 CO 0.00 0.09 1.35 -2.16 -0.69 0.00 0.00 174.62 173.21 1hql s PRO 44 N 1.78 4.34 0.61 4.92 0.04 -1.26 -0.44 135.00 144.98 1hql s PRO 44 Ca 0.37 2.20 -0.16 0.00 0.04 0.00 0.00 61.00 63.46 1hql s PRO 44 Cb -0.17 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1hql s PRO 44 CO 0.14 -0.28 1.07 -0.51 0.04 0.00 0.00 177.00 177.46 1hql s LEU 45 N -0.90 3.48 0.53 -3.56 1.43 -0.64 -4.75 118.68 114.26 1hql s LEU 45 Ca 0.54 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 1hql s LEU 45 Cb -0.40 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.23 1hql s LEU 45 CO 0.46 -1.26 0.94 -1.10 0.23 0.00 0.00 176.35 175.62 1hql s GLN 46 N -4.08 3.74 -1.24 1.70 -0.21 -1.26 -4.36 119.66 113.94 1hql s GLN 46 Ca 0.64 0.70 -0.30 0.00 0.02 0.00 0.00 55.36 56.42 1hql s GLN 46 Cb -0.17 -2.19 0.04 0.00 1.00 0.00 0.00 33.01 31.70 1hql s GLN 46 CO 0.38 -0.34 0.57 0.91 -2.12 0.00 0.00 175.29 174.69 1hql n TRP 47 N -2.07 -1.32 -4.33 0.91 7.02 0.29 -4.92 117.44 113.04 1hql n TRP 47 Ca 0.05 0.12 -0.24 0.00 -1.02 0.00 0.00 57.50 56.41 1hql n TRP 47 Cb 0.54 -2.70 -0.08 0.00 -2.42 0.00 0.00 31.31 26.65 1hql n TRP 47 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1hql s SER 48 N -3.67 4.25 -0.02 -0.99 0.01 -1.20 -4.89 113.70 107.18 1hql s SER 48 Ca 0.42 -0.86 -0.24 0.00 1.31 0.00 0.00 55.95 56.59 1hql s SER 48 Cb -0.24 -0.62 0.05 0.00 0.21 0.00 0.00 66.02 65.42 1hql s SER 48 CO 0.96 -0.11 0.52 0.00 0.41 0.00 0.00 173.24 175.02 1hql s ALA 49 N -2.44 -1.33 0.01 1.44 0.00 -1.26 -1.27 121.76 116.90 1hql s ALA 49 Ca 0.33 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1hql s ALA 49 Cb -0.03 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.25 1hql s ALA 49 CO 0.19 -0.35 0.67 0.20 0.00 0.00 0.00 175.76 176.46 1hql s GLY 50 N -1.38 -0.58 0.01 0.00 0.00 -0.88 -0.63 107.32 103.87 1hql s GLY 50 Ca -0.11 1.08 -0.05 0.00 0.00 0.00 0.00 44.72 45.64 1hql s GLY 50 CO 0.06 0.71 0.09 0.50 0.00 0.00 0.00 173.10 174.46 1hql s ARG 51 N -1.98 0.45 -0.26 2.90 0.52 -0.69 -1.80 118.95 118.09 1hql s ARG 51 Ca -0.07 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 1hql s ARG 51 Cb -0.00 0.18 0.07 0.00 0.52 0.00 0.00 34.95 35.72 1hql s ARG 51 CO 0.03 -0.10 -0.00 0.00 0.02 0.00 0.00 175.30 175.24 1hql s ALA 52 N -1.59 1.93 -0.07 2.13 0.00 -0.25 -0.79 121.76 123.12 1hql s ALA 52 Ca -0.14 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 1hql s ALA 52 Cb -0.07 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1hql s ALA 52 CO 0.00 -1.35 0.01 -0.51 0.00 0.00 0.00 175.76 173.92 1hql s LEU 53 N 1.41 3.64 0.05 0.00 1.02 -0.48 -1.85 118.68 122.46 1hql s LEU 53 Ca -0.00 0.15 -0.31 0.00 0.02 0.00 0.00 54.13 53.99 1hql s LEU 53 Cb -0.18 -1.88 -0.05 0.00 0.02 0.00 0.00 46.19 44.09 1hql s LEU 53 CO -0.10 0.36 1.20 -0.47 0.02 0.00 0.00 176.35 177.36 1hql s TYR 54 N -0.93 3.42 0.15 0.29 5.04 -0.50 0.48 117.35 125.29 1hql s TYR 54 Ca 0.15 1.30 -0.28 0.00 -2.44 0.00 0.00 57.07 55.79 1hql s TYR 54 Cb -0.11 -3.42 -0.03 0.00 0.35 0.00 0.00 41.96 38.75 1hql s TYR 54 CO 0.04 -1.27 1.57 0.77 -1.34 0.00 0.00 175.55 175.31 1hql h SER 55 N 6.85 -1.55 -2.88 4.32 0.02 -1.26 -3.42 113.55 115.63 1hql h SER 55 Ca -0.41 0.23 -0.53 0.00 -0.84 0.00 0.00 61.79 60.24 1hql h SER 55 Cb 1.21 0.67 0.03 0.00 0.14 0.00 0.00 62.40 64.45 1hql h SER 55 CO 0.82 -0.38 0.83 -1.81 -1.14 0.00 0.00 176.83 175.15 1hql s ASP 56 N -5.06 6.70 0.65 3.07 1.11 -1.26 -5.01 116.67 116.87 1hql s ASP 56 Ca -0.15 2.45 -0.12 0.00 0.18 0.00 0.00 52.55 54.91 1hql s ASP 56 Cb 0.11 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.50 1hql s ASP 56 CO 0.64 -0.76 1.05 -2.84 1.18 0.00 0.00 175.17 174.45 1hql s PRO 57 N 1.42 3.15 -0.07 8.23 0.02 -1.26 -4.80 135.00 141.69 1hql s PRO 57 Ca 0.68 1.01 0.04 0.00 0.02 0.00 0.00 61.00 62.74 1hql s PRO 57 Cb -0.40 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 1hql s PRO 57 CO 0.31 -0.93 -0.18 0.08 -0.33 0.00 0.00 177.00 175.94 1hql s VAL 58 N -2.87 2.67 -0.61 3.83 1.01 0.14 -4.94 120.40 119.62 1hql s VAL 58 Ca 0.59 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 1hql s VAL 58 Cb -0.14 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.23 1hql s VAL 58 CO 0.49 0.56 1.15 -1.10 0.00 0.00 0.00 175.10 176.21 1hql s GLN 59 N -0.21 3.39 -0.05 2.72 1.11 -1.26 -1.42 119.66 123.93 1hql s GLN 59 Ca -0.01 -0.01 -0.23 0.00 0.01 0.00 0.00 55.36 55.13 1hql s GLN 59 Cb -0.13 -4.07 -0.18 0.00 -1.01 0.00 0.00 33.01 27.62 1hql s GLN 59 CO 0.03 -1.76 0.97 1.25 0.01 0.00 0.00 175.29 175.80 1hql h LEU 60 N 11.96 -0.13 0.00 2.90 6.46 -0.46 -3.42 115.31 132.62 1hql h LEU 60 Ca -0.26 -0.43 -0.07 0.00 -0.12 0.00 0.00 57.88 57.00 1hql h LEU 60 Cb 1.06 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1hql h LEU 60 CO 1.19 0.43 0.03 -2.67 -0.62 0.00 0.00 178.44 176.80 1hql n TRP 61 N -4.89 -1.31 -4.15 1.25 4.27 -1.19 0.44 117.44 111.86 1hql n TRP 61 Ca -0.08 -1.02 -0.11 0.00 -3.89 0.00 0.00 57.50 52.39 1hql n TRP 61 Cb 0.28 0.36 -0.09 0.00 -1.36 0.00 0.00 31.31 30.50 1hql n TRP 61 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1hql s ASP 62 N -2.03 0.12 0.00 -0.67 1.01 -1.26 -4.70 116.67 109.14 1hql s ASP 62 Ca 0.11 -1.26 0.00 0.00 0.71 0.00 0.00 52.55 52.10 1hql s ASP 62 Cb -0.01 0.41 0.00 0.00 1.01 0.00 0.00 42.92 44.32 1hql s ASP 62 CO 0.08 -0.88 0.00 -3.20 0.21 0.00 0.00 175.17 171.38 1hql n ASN 63 N -0.27 0.00 0.09 0.27 2.85 -1.26 -4.02 115.26 112.92 1hql n ASN 63 Ca 0.00 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.67 1hql n ASN 63 Cb 0.65 0.00 0.71 0.00 1.24 0.00 0.00 39.78 42.37 1hql n ASN 63 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1hql h LYS 64 N 0.00 0.00 -0.01 1.20 1.57 -2.04 0.18 116.57 117.47 1hql h LYS 64 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1hql h LYS 64 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1hql h LYS 64 CO 0.00 0.00 -0.94 1.15 -0.57 0.00 0.00 179.45 179.09 1hql h THR 65 N 0.00 1.38 -5.44 -0.16 2.02 -2.01 -3.49 112.91 105.21 1hql h THR 65 Ca 0.21 -2.39 -0.04 0.00 0.77 0.00 0.00 66.41 64.96 1hql h THR 65 Cb 1.28 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1hql h THR 65 CO -0.00 0.72 -0.80 -0.62 0.37 0.00 0.00 175.52 175.19 1hql n GLU 66 N -3.77 -2.61 -2.88 6.66 1.02 0.62 -5.04 120.64 114.63 1hql n GLU 66 Ca -0.07 2.21 0.02 0.00 -0.02 0.00 0.00 57.16 59.31 1hql n GLU 66 Cb 0.83 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1hql n GLU 66 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1hql s SER 67 N -2.01 -0.49 0.15 1.62 1.04 -1.26 -5.04 113.70 107.72 1hql s SER 67 Ca 0.15 -0.19 -0.31 0.00 0.48 0.00 0.00 55.95 56.09 1hql s SER 67 Cb -0.04 0.74 -0.08 0.00 0.10 0.00 0.00 66.02 66.75 1hql s SER 67 CO 0.73 -0.06 1.35 -0.69 0.98 0.00 0.00 173.24 175.55 1hql s VAL 68 N 2.14 3.26 0.54 5.02 1.01 -1.26 -4.21 120.40 126.90 1hql s VAL 68 Ca 0.17 0.96 -0.19 0.00 0.00 0.00 0.00 61.98 62.92 1hql s VAL 68 Cb 0.01 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1hql s VAL 68 CO -0.16 0.11 1.08 0.00 0.00 0.00 0.00 175.10 176.13 1hql s ALA 69 N 0.63 2.75 0.06 5.51 0.00 0.17 -4.11 121.76 126.78 1hql s ALA 69 Ca 0.61 0.63 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1hql s ALA 69 Cb -0.37 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1hql s ALA 69 CO 0.34 -0.65 0.10 -1.12 0.00 0.00 0.00 175.76 174.43 1hql s SER 70 N -2.13 5.69 0.16 0.00 0.01 0.06 -3.64 113.70 113.85 1hql s SER 70 Ca 0.68 0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.88 1hql s SER 70 Cb -0.19 -1.58 0.01 0.00 0.21 0.00 0.00 66.02 64.46 1hql s SER 70 CO 0.28 0.19 0.35 0.72 0.41 0.00 0.00 173.24 175.18 1hql s PHE 71 N -1.38 0.18 -0.07 2.43 -0.12 -0.67 -0.48 117.98 117.86 1hql s PHE 71 Ca 0.29 -0.54 -0.06 0.00 -0.05 0.00 0.00 56.93 56.58 1hql s PHE 71 Cb -0.12 0.10 0.02 0.00 -0.63 0.00 0.00 43.02 42.38 1hql s PHE 71 CO 0.22 -0.76 0.17 -0.47 -0.05 0.00 0.00 175.22 174.33 1hql s TYR 72 N -3.92 -0.19 0.01 3.49 5.04 0.18 -1.16 117.35 120.80 1hql s TYR 72 Ca 0.12 0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 55.22 1hql s TYR 72 Cb 0.02 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.38 1hql s TYR 72 CO -0.03 -0.10 0.00 -0.08 -1.34 0.00 0.00 175.55 174.00 1hql s THR 73 N 0.20 0.05 -0.01 4.34 -1.32 0.37 -1.15 115.64 118.11 1hql s THR 73 Ca -0.01 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.04 1hql s THR 73 Cb -0.02 -0.15 0.01 0.00 -1.51 0.00 0.00 72.50 70.83 1hql s THR 73 CO -0.00 -0.24 -0.02 -0.70 -2.21 0.00 0.00 174.62 171.45 1hql s GLU 74 N -0.70 0.29 0.06 7.08 2.12 -0.35 -1.05 118.70 126.16 1hql s GLU 74 Ca -0.08 -0.04 -0.19 0.00 0.36 0.00 0.00 54.97 55.02 1hql s GLU 74 Cb -0.05 -0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.02 1hql s GLU 74 CO -0.00 -0.02 0.45 -0.59 -0.54 0.00 0.00 175.26 174.56 1hql s PHE 75 N 0.40 -0.32 0.09 5.30 -0.12 -0.64 -0.56 117.98 122.14 1hql s PHE 75 Ca -0.04 0.26 0.08 0.00 -0.05 0.00 0.00 56.93 57.18 1hql s PHE 75 Cb -0.07 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1hql s PHE 75 CO -0.01 -0.63 -0.16 0.95 -0.05 0.00 0.00 175.22 175.32 1hql s THR 76 N -2.72 2.95 0.05 -4.49 -4.23 -0.98 0.21 115.64 106.43 1hql s THR 76 Ca -0.04 -1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1hql s THR 76 Cb -0.00 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.54 1hql s THR 76 CO -0.04 0.17 0.36 0.72 -0.54 0.00 0.00 174.62 175.29 1hql s PHE 77 N -1.09 -0.18 -0.04 3.99 -0.12 -0.61 -1.35 117.98 118.58 1hql s PHE 77 Ca 0.18 0.07 0.05 0.00 -0.05 0.00 0.00 56.93 57.18 1hql s PHE 77 Cb -0.11 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 1hql s PHE 77 CO 0.09 -0.55 -0.19 0.12 -0.05 0.00 0.00 175.22 174.64 1hql s PHE 78 N -2.62 1.87 -0.47 3.49 5.36 -0.07 -1.10 117.98 124.45 1hql s PHE 78 Ca -0.04 -0.48 -0.13 0.00 -0.96 0.00 0.00 56.93 55.31 1hql s PHE 78 Cb -0.01 -1.23 0.09 0.00 -0.34 0.00 0.00 43.02 41.53 1hql s PHE 78 CO -0.04 -0.13 0.36 -0.51 -1.46 0.00 0.00 175.22 173.44 1hql s LEU 79 N -0.16 5.58 -0.60 6.12 1.43 -1.26 -2.04 118.68 127.75 1hql s LEU 79 Ca -0.00 -1.54 -0.25 0.00 -1.03 0.00 0.00 54.13 51.31 1hql s LEU 79 Cb -0.11 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1hql s LEU 79 CO 0.02 -0.65 1.05 -0.75 0.23 0.00 0.00 176.35 176.24 1hql s LYS 80 N 1.53 3.32 -0.11 1.70 2.20 -0.83 -4.71 119.74 122.85 1hql s LYS 80 Ca 0.04 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 1hql s LYS 80 Cb -0.25 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 31.96 1hql s LYS 80 CO 0.04 -1.67 -0.13 0.42 -0.36 0.00 0.00 175.35 173.65 1hql s ILE 81 N 4.43 3.11 0.00 5.43 1.01 -1.26 -1.94 121.20 131.98 1hql s ILE 81 Ca 0.33 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1hql s ILE 81 Cb -0.11 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1hql s ILE 81 CO 0.19 0.54 0.90 0.35 0.00 0.00 0.00 174.94 176.92 1hql n THR 82 N 3.21 0.80 -3.74 2.92 -2.24 -0.39 -5.03 114.28 109.82 1hql n THR 82 Ca -0.18 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.71 1hql n THR 82 Cb 0.53 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 1hql n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hql n GLY 83 N -0.40 2.32 0.54 3.38 0.00 -1.25 -4.99 105.19 104.79 1hql n GLY 83 Ca 0.00 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.72 1hql n GLY 83 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hql n ASN 84 N -1.73 1.92 -3.00 1.61 6.94 -1.26 -4.50 115.26 115.24 1hql n ASN 84 Ca -0.01 -1.47 -0.24 0.00 -0.02 0.00 0.00 54.58 52.84 1hql n ASN 84 Cb 0.32 0.20 -0.04 0.00 -2.36 0.00 0.00 39.78 37.90 1hql n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hql n GLY 85 N 1.34 5.02 3.76 4.83 0.00 -1.26 -5.09 105.19 113.79 1hql n GLY 85 Ca 0.13 -2.46 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 1hql n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hql s PRO 86 N -3.18 4.27 -0.02 1.61 0.04 -1.26 -4.64 135.00 131.82 1hql s PRO 86 Ca 0.46 2.33 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 1hql s PRO 86 Cb 0.30 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.85 1hql s PRO 86 CO -0.12 -0.34 0.64 0.00 0.04 0.00 0.00 177.00 177.22 1hql s ALA 87 N -0.81 -1.66 -0.37 8.56 0.00 -1.26 -4.31 121.76 121.91 1hql s ALA 87 Ca 0.53 1.13 0.15 0.00 0.00 0.00 0.00 51.96 53.77 1hql s ALA 87 Cb -0.42 0.12 -0.20 0.00 0.00 0.00 0.00 23.12 22.62 1hql s ALA 87 CO 0.53 -0.41 0.48 -0.25 0.00 0.00 0.00 175.76 176.11 1hql n ASP 88 N 0.77 1.10 0.00 0.00 8.00 -0.19 -4.44 116.55 121.80 1hql n ASP 88 Ca -0.19 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1hql n ASP 88 Cb 0.58 1.33 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 1hql n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hql n GLY 89 N 1.49 0.43 3.60 0.44 0.00 -1.25 -2.30 105.19 107.61 1hql n GLY 89 Ca 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 1hql n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1hql s LEU 90 N 0.00 0.57 -0.07 0.99 2.34 -1.07 -3.34 118.68 118.10 1hql s LEU 90 Ca 0.00 -1.26 -0.29 0.00 0.06 0.00 0.00 54.13 52.64 1hql s LEU 90 Cb 0.00 1.92 0.10 0.00 -0.56 0.00 0.00 46.19 47.66 1hql s LEU 90 CO 0.00 -1.37 0.87 0.00 -1.06 0.00 0.00 176.35 174.79 1hql s ALA 91 N -3.08 -1.84 -0.07 1.48 0.00 0.03 -1.27 121.76 117.01 1hql s ALA 91 Ca 0.24 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 1hql s ALA 91 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1hql s ALA 91 CO 0.15 -0.46 0.04 0.12 0.00 0.00 0.00 175.76 175.62 1hql s PHE 92 N -1.88 3.26 0.23 0.00 5.36 -0.30 -0.21 117.98 124.45 1hql s PHE 92 Ca -0.02 0.25 -0.13 0.00 -0.96 0.00 0.00 56.93 56.07 1hql s PHE 92 Cb -0.01 -1.80 -0.00 0.00 -0.34 0.00 0.00 43.02 40.88 1hql s PHE 92 CO -0.01 0.54 0.47 -0.59 -1.46 0.00 0.00 175.22 174.17 1hql s PHE 93 N -1.00 0.30 -0.03 10.12 -0.12 -0.23 -0.76 117.98 126.26 1hql s PHE 93 Ca 0.16 -0.66 0.03 0.00 -0.05 0.00 0.00 56.93 56.41 1hql s PHE 93 Cb -0.12 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 1hql s PHE 93 CO 0.06 -0.96 -0.11 -0.51 -0.05 0.00 0.00 175.22 173.65 1hql s LEU 94 N -2.99 1.80 0.22 -1.99 1.02 0.21 -1.76 118.68 115.19 1hql s LEU 94 Ca 0.20 -0.23 -0.19 0.00 0.02 0.00 0.00 54.13 53.94 1hql s LEU 94 Cb -0.00 -0.65 0.03 0.00 0.02 0.00 0.00 46.19 45.59 1hql s LEU 94 CO 0.07 0.08 0.58 0.00 0.02 0.00 0.00 176.35 177.10 1hql s ALA 95 N 0.19 -1.04 0.47 4.21 0.00 -0.63 -2.11 121.76 122.84 1hql s ALA 95 Ca -0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.49 1hql s ALA 95 Cb -0.09 0.88 -0.10 0.00 0.00 0.00 0.00 23.12 23.81 1hql s ALA 95 CO 0.01 -0.87 0.91 -2.30 0.00 0.00 0.00 175.76 173.51 1hql n PRO 96 N -0.38 1.12 0.03 0.00 -0.02 -1.26 0.01 135.00 134.50 1hql n PRO 96 Ca -0.08 0.41 0.22 0.00 -2.02 0.00 0.00 63.50 62.02 1hql n PRO 96 Cb 0.62 -1.98 0.70 0.00 -0.02 0.00 0.00 33.50 32.82 1hql n PRO 96 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1hql h PRO 97 N 1.16 0.00 -0.69 0.52 0.11 -1.86 -0.74 132.00 130.50 1hql h PRO 97 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hql h PRO 97 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1hql h PRO 97 CO 0.54 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 1hql n ASP 98 N -3.66 3.85 -4.73 -2.05 8.00 -1.26 -4.93 116.55 111.76 1hql n ASP 98 Ca 0.10 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.19 1hql n ASP 98 Cb 0.78 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1hql n ASP 98 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1hql s SER 99 N -1.06 6.85 0.41 -2.24 0.15 -0.29 -5.02 113.70 112.50 1hql s SER 99 Ca 0.48 2.40 0.07 0.00 0.70 0.00 0.00 55.95 59.60 1hql s SER 99 Cb 0.25 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1hql s SER 99 CO 0.33 -0.59 0.13 -0.62 1.20 0.00 0.00 173.24 173.70 1hql s ASP 100 N 0.60 4.29 0.34 5.45 -1.08 -1.26 -5.01 116.67 119.99 1hql s ASP 100 Ca 0.60 -1.14 -0.28 0.00 -0.52 0.00 0.00 52.55 51.20 1hql s ASP 100 Cb -0.37 -0.47 -0.12 0.00 -1.46 0.00 0.00 42.92 40.50 1hql s ASP 100 CO 0.36 -0.50 1.32 0.55 0.52 0.00 0.00 175.17 177.41 1hql n VAL 101 N -1.16 1.93 -0.37 1.11 3.14 -1.26 -4.99 118.33 116.72 1hql n VAL 101 Ca -0.02 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1hql n VAL 101 Cb 0.65 -1.60 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 1hql n VAL 101 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1hql n LYS 102 N 0.65 3.29 -2.56 1.45 4.76 -0.55 -5.02 118.16 120.18 1hql n LYS 102 Ca 0.05 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.13 1hql n LYS 102 Cb 0.36 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.51 1hql n LYS 102 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1hql s ASP 103 N -0.44 6.65 0.00 4.39 1.11 -0.72 -4.70 116.67 122.96 1hql s ASP 103 Ca 0.00 1.98 0.00 0.00 0.18 0.00 0.00 52.55 54.71 1hql s ASP 103 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1hql s ASP 103 CO 0.00 -0.57 0.00 0.00 1.18 0.00 0.00 175.17 175.78 1hql n ALA 104 N -0.37 0.00 -0.83 5.23 0.00 -1.26 -0.81 120.51 122.47 1hql n ALA 104 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1hql n ALA 104 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1hql n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hql n GLY 105 N 5.00 2.37 0.11 0.00 0.00 -0.23 -2.62 105.19 109.82 1hql n GLY 105 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.61 1hql n GLY 105 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hql n GLU 106 N 12.17 0.09 0.00 1.61 0.00 -1.26 -2.06 120.64 131.20 1hql n GLU 106 Ca 0.00 0.57 0.15 0.00 0.00 0.00 0.00 57.16 57.88 1hql n GLU 106 Cb 0.00 -1.80 0.68 0.00 0.00 0.00 0.00 31.44 30.33 1hql n GLU 106 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1hql n TYR 107 N -2.00 0.00 -1.86 -1.84 4.02 -1.08 -4.92 117.16 109.48 1hql n TYR 107 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1hql n TYR 107 Cb 0.04 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.20 1hql n TYR 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1hql n LEU 108 N -0.82 -1.12 -0.03 7.72 4.77 -0.87 -0.12 117.00 126.54 1hql n LEU 108 Ca 0.17 0.26 -0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1hql n LEU 108 Cb 0.25 -2.15 -0.00 0.00 -2.33 0.00 0.00 43.42 39.19 1hql n LEU 108 CO 0.21 -0.46 -0.00 0.61 -1.33 0.00 0.00 177.39 176.42 1hql n GLY 109 N -0.52 0.28 0.08 -0.72 0.00 0.01 -4.09 105.19 100.24 1hql n GLY 109 Ca -0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1hql n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hql n LEU 110 N -0.04 0.00 -4.29 0.99 4.77 0.83 -1.48 117.00 117.78 1hql n LEU 110 Ca -0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1hql n LEU 110 Cb 0.26 0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.64 1hql n LEU 110 CO 0.01 0.39 -0.30 -0.36 -1.33 0.00 0.00 177.39 175.79 1hql s PHE 111 N -2.59 1.43 0.23 -1.77 0.40 -1.20 -4.81 117.98 109.67 1hql s PHE 111 Ca -0.09 -1.04 -0.01 0.00 -0.60 0.00 0.00 56.93 55.19 1hql s PHE 111 Cb 0.07 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 1hql s PHE 111 CO 0.77 -0.20 0.44 -0.80 0.70 0.00 0.00 175.22 176.13 1hql s ASN 112 N -3.26 6.39 0.19 1.36 0.01 -1.26 -1.75 114.94 116.62 1hql s ASN 112 Ca 0.30 0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 52.80 1hql s ASN 112 Cb 0.07 -2.04 0.20 0.00 0.41 0.00 0.00 41.25 39.89 1hql s ASN 112 CO 0.09 -0.10 1.77 0.11 -1.51 0.00 0.00 177.10 177.46 1hql h LYS 113 N 1.81 0.48 0.00 -0.60 1.57 -1.97 0.53 116.57 118.40 1hql h LYS 113 Ca -0.48 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1hql h LYS 113 Cb 1.19 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1hql h LYS 113 CO 0.67 0.32 -0.07 0.66 -0.57 0.00 0.00 179.45 180.45 1hql h SER 114 N 0.49 0.00 0.00 0.86 4.64 -2.06 -3.33 113.55 114.16 1hql h SER 114 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1hql h SER 114 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1hql h SER 114 CO -0.21 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 176.17 1hql n THR 115 N -3.23 0.35 -0.07 2.95 -2.24 -1.07 -4.80 114.28 106.17 1hql n THR 115 Ca 0.00 -0.43 0.24 0.00 -2.27 0.00 0.00 64.05 61.59 1hql n THR 115 Cb 0.32 0.98 0.71 0.00 -2.10 0.00 0.00 70.33 70.24 1hql n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hql h ALA 116 N 0.00 2.62 -0.55 6.98 0.00 -1.01 0.71 119.26 128.01 1hql h ALA 116 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1hql h ALA 116 Cb 0.59 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1hql h ALA 116 CO 0.00 -0.87 0.12 0.25 0.00 0.00 0.00 179.25 178.76 1hql n THR 117 N -4.24 2.71 -3.83 0.00 -2.24 -1.26 -1.49 114.28 103.93 1hql n THR 117 Ca 0.14 -1.81 -0.30 0.00 -2.27 0.00 0.00 64.05 59.81 1hql n THR 117 Cb 0.78 -0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.55 1hql n THR 117 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1hql s GLN 118 N -2.96 1.44 0.27 -0.78 -0.21 0.24 -5.01 119.66 112.65 1hql s GLN 118 Ca 0.51 -2.04 -0.01 0.00 0.02 0.00 0.00 55.36 53.84 1hql s GLN 118 Cb 0.41 -2.70 0.58 0.00 1.00 0.00 0.00 33.01 32.29 1hql s GLN 118 CO 0.11 -1.09 1.72 -1.35 -2.12 0.00 0.00 175.29 172.56 1hql h PRO 119 N 6.97 0.45 0.00 2.91 0.11 -1.80 -0.66 132.00 139.99 1hql h PRO 119 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1hql h PRO 119 Cb 0.94 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1hql h PRO 119 CO 0.55 0.30 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 1hql n SER 120 N -4.99 0.41 -0.93 -2.05 3.41 -1.26 -1.87 113.62 106.34 1hql n SER 120 Ca 0.18 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.51 1hql n SER 120 Cb 0.51 -0.71 0.20 0.00 -0.26 0.00 0.00 64.21 63.95 1hql n SER 120 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hql n LYS 121 N -2.00 2.52 -4.32 4.33 5.02 -0.26 -5.00 118.16 118.46 1hql n LYS 121 Ca 0.01 -2.19 -0.17 0.00 -2.02 0.00 0.00 58.31 53.94 1hql n LYS 121 Cb 0.12 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 1hql n LYS 121 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1hql s ASN 122 N -1.09 2.39 -0.44 4.39 0.01 -0.78 -5.06 114.94 114.35 1hql s ASN 122 Ca 0.33 -1.02 0.07 0.00 -0.71 0.00 0.00 52.86 51.53 1hql s ASN 122 Cb 0.18 -0.11 0.23 0.00 0.41 0.00 0.00 41.25 41.96 1hql s ASN 122 CO 0.24 -0.21 0.50 0.00 -1.51 0.00 0.00 177.10 176.12 1hql n GLN 123 N -0.33 0.87 -3.64 -0.60 6.02 -1.26 -4.90 117.38 113.54 1hql n GLN 123 Ca -0.09 -3.46 -0.09 0.00 -0.01 0.00 0.00 57.00 53.36 1hql n GLN 123 Cb 0.60 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 30.28 1hql n GLN 123 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1hql s VAL 124 N -1.06 0.00 -0.09 5.09 0.11 -1.26 -4.17 120.40 119.03 1hql s VAL 124 Ca 0.35 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 1hql s VAL 124 Cb 0.12 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1hql s VAL 124 CO -0.12 0.00 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.76 1hql s VAL 125 N 1.29 2.46 0.16 2.04 1.01 -0.90 -0.18 120.40 126.29 1hql s VAL 125 Ca -0.07 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 1hql s VAL 125 Cb -0.05 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1hql s VAL 125 CO -0.14 0.56 0.47 0.00 0.00 0.00 0.00 175.10 175.99 1hql s ALA 126 N 0.03 -1.00 -0.20 5.51 0.00 0.27 -0.62 121.76 125.76 1hql s ALA 126 Ca -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1hql s ALA 126 Cb -0.15 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1hql s ALA 126 CO 0.05 -0.72 -0.07 0.08 0.00 0.00 0.00 175.76 175.09 1hql s VAL 127 N -3.83 3.17 0.13 0.00 1.01 0.06 0.53 120.40 121.48 1hql s VAL 127 Ca 0.05 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1hql s VAL 127 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1hql s VAL 127 CO -0.08 0.45 0.02 -1.83 0.00 0.00 0.00 175.10 173.66 1hql s GLU 128 N 1.28 2.54 -0.51 2.72 -1.05 0.12 -1.15 118.70 122.66 1hql s GLU 128 Ca 0.03 -0.94 0.03 0.00 -0.15 0.00 0.00 54.97 53.95 1hql s GLU 128 Cb -0.14 -2.49 0.14 0.00 -0.44 0.00 0.00 34.13 31.20 1hql s GLU 128 CO -0.03 0.50 0.30 -0.06 0.95 0.00 0.00 175.26 176.91 1hql s PHE 129 N -1.52 2.58 -0.40 4.83 0.40 -0.40 -0.22 117.98 123.24 1hql s PHE 129 Ca 0.27 -2.82 -0.24 0.00 -0.60 0.00 0.00 56.93 53.55 1hql s PHE 129 Cb -0.11 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.18 1hql s PHE 129 CO 0.19 -0.73 0.81 0.34 0.70 0.00 0.00 175.22 176.53 1hql s ASP 130 N -0.19 6.51 -0.01 1.36 -1.08 0.65 -2.61 116.67 121.31 1hql s ASP 130 Ca 0.20 0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.60 1hql s ASP 130 Cb -0.19 -2.41 0.52 0.00 -1.46 0.00 0.00 42.92 39.38 1hql s ASP 130 CO -0.04 -0.84 1.43 0.35 0.52 0.00 0.00 175.17 176.59 1hql n THR 131 N 6.00 0.83 -3.66 1.71 -2.24 -0.97 -1.12 114.28 114.82 1hql n THR 131 Ca 0.04 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 1hql n THR 131 Cb 0.48 0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 1hql n THR 131 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1hql s TRP 132 N -1.25 -0.48 -0.15 4.78 -0.11 -1.26 -4.68 118.94 115.79 1hql s TRP 132 Ca 0.39 1.06 -0.29 0.00 1.22 0.00 0.00 56.10 58.48 1hql s TRP 132 Cb 0.21 0.02 -0.01 0.00 -1.50 0.00 0.00 33.47 32.19 1hql s TRP 132 CO 0.26 -0.37 1.14 0.99 -4.62 0.00 0.00 176.95 174.35 1hql s THR 133 N 2.42 4.49 -0.13 5.86 2.01 -1.26 -5.01 115.64 124.02 1hql s THR 133 Ca 0.01 1.79 -0.07 0.00 0.31 0.00 0.00 61.69 63.73 1hql s THR 133 Cb -0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1hql s THR 133 CO -0.09 -0.10 0.12 0.20 -0.69 0.00 0.00 174.62 174.06 1hql s ASN 134 N 1.48 6.22 0.05 3.53 -0.87 -1.26 -4.99 114.94 119.10 1hql s ASN 134 Ca 0.51 0.40 0.24 0.00 -1.57 0.00 0.00 52.86 52.43 1hql s ASN 134 Cb -0.20 -2.00 0.33 0.00 -0.02 0.00 0.00 41.25 39.35 1hql s ASN 134 CO 0.14 0.38 1.28 -0.81 -2.57 0.00 0.00 177.10 175.52 1hql n PRO 135 N 2.21 0.17 -0.22 -0.60 -0.04 -1.26 -4.18 135.00 131.07 1hql n PRO 135 Ca -0.19 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1hql n PRO 135 Cb 0.54 -1.59 0.29 0.00 -0.04 0.00 0.00 33.50 32.71 1hql n PRO 135 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1hql h ASN 136 N 0.00 0.78 -5.32 3.54 4.21 -2.02 -3.44 115.58 113.33 1hql h ASN 136 Ca 0.00 -0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 1hql h ASN 136 Cb 0.64 -0.17 -0.15 0.00 -1.12 0.00 0.00 38.32 37.52 1hql h ASN 136 CO 0.00 0.52 -0.63 0.72 -1.29 0.00 0.00 177.43 176.76 1hql s PHE 137 N -5.78 0.65 0.13 1.19 -0.12 -1.26 -5.13 117.98 107.66 1hql s PHE 137 Ca -0.11 -1.10 -0.31 0.00 -0.05 0.00 0.00 56.93 55.36 1hql s PHE 137 Cb 0.19 -0.39 -0.09 0.00 -0.63 0.00 0.00 43.02 42.10 1hql s PHE 137 CO 0.78 -0.47 1.55 -1.25 -0.05 0.00 0.00 175.22 175.77 1hql s PRO 138 N -3.98 4.23 -0.12 1.99 0.04 -1.26 -4.80 135.00 131.10 1hql s PRO 138 Ca 0.15 2.29 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 1hql s PRO 138 Cb 0.07 -3.27 0.13 0.00 0.04 0.00 0.00 34.50 31.47 1hql s PRO 138 CO -0.04 -0.60 1.05 -1.83 0.04 0.00 0.00 177.00 175.62 1hql s GLU 139 N 1.45 0.55 0.36 4.56 -1.05 -1.26 -4.70 118.70 118.60 1hql s GLU 139 Ca 0.70 -0.12 -0.24 0.00 -0.15 0.00 0.00 54.97 55.15 1hql s GLU 139 Cb -0.41 0.25 -0.14 0.00 -0.44 0.00 0.00 34.13 33.39 1hql s GLU 139 CO 0.31 -0.22 0.54 -2.30 0.95 0.00 0.00 175.26 174.54 1hql n PRO 140 N 0.06 0.50 -0.04 -4.83 -0.02 -1.26 -4.83 135.00 124.57 1hql n PRO 140 Ca -0.05 0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.65 1hql n PRO 140 Cb 0.60 -1.39 0.22 0.00 -0.02 0.00 0.00 33.50 32.90 1hql n PRO 140 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hql n SER 141 N 1.56 0.50 -4.24 2.55 3.41 -1.26 -4.69 113.62 111.45 1hql n SER 141 Ca 0.12 -1.81 -0.15 0.00 -0.26 0.00 0.00 58.87 56.77 1hql n SER 141 Cb 0.36 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1hql n SER 141 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1hql s TYR 142 N -1.90 1.27 0.61 7.33 -0.85 -1.26 -4.88 117.35 117.67 1hql s TYR 142 Ca 0.15 -0.69 -0.18 0.00 -0.52 0.00 0.00 57.07 55.83 1hql s TYR 142 Cb 0.07 -0.65 -0.07 0.00 0.38 0.00 0.00 41.96 41.70 1hql s TYR 142 CO 0.11 0.09 0.65 0.54 -1.52 0.00 0.00 175.55 175.43 1hql n ARG 143 N 0.09 0.57 -3.78 -3.49 5.12 -1.26 -4.77 116.66 109.14 1hql n ARG 143 Ca -0.12 0.23 -0.06 0.00 -1.93 0.00 0.00 57.85 55.97 1hql n ARG 143 Cb 0.59 -1.86 -0.02 0.00 -1.16 0.00 0.00 32.46 30.01 1hql n ARG 143 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1hql s HIS 144 N -1.70 -0.18 -0.01 -1.55 -3.43 -0.27 -1.81 115.29 106.33 1hql s HIS 144 Ca 0.71 -0.18 0.05 0.00 -0.80 0.00 0.00 55.06 54.83 1hql s HIS 144 Cb -0.42 0.66 -0.03 0.00 -1.43 0.00 0.00 32.58 31.37 1hql s HIS 144 CO 0.53 -1.00 -0.14 0.42 -2.00 0.00 0.00 174.74 172.55 1hql s ILE 145 N -3.58 3.08 0.15 -5.38 1.01 0.19 -0.25 121.20 116.42 1hql s ILE 145 Ca 0.11 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 1hql s ILE 145 Cb -0.03 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.21 1hql s ILE 145 CO 0.03 0.48 0.41 -0.83 0.00 0.00 0.00 174.94 175.04 1hql s GLY 146 N -1.06 -0.14 -0.29 6.18 0.00 0.69 -1.07 107.32 111.64 1hql s GLY 146 Ca 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 44.72 44.60 1hql s GLY 146 CO 0.03 -0.37 0.06 -0.42 0.00 0.00 0.00 173.10 172.41 1hql s ILE 147 N -3.84 3.86 -0.19 0.90 1.01 -0.79 0.13 121.20 122.28 1hql s ILE 147 Ca 0.06 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 1hql s ILE 147 Cb 0.01 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1hql s ILE 147 CO -0.08 0.12 0.02 0.20 0.00 0.00 0.00 174.94 175.19 1hql s ASN 148 N 1.49 5.13 -0.44 3.58 -0.87 0.19 -1.60 114.94 122.41 1hql s ASN 148 Ca 0.03 -0.09 0.02 0.00 -1.57 0.00 0.00 52.86 51.24 1hql s ASN 148 Cb -0.17 -1.87 0.12 0.00 -0.02 0.00 0.00 41.25 39.31 1hql s ASN 148 CO 0.02 0.12 0.18 -0.69 -2.57 0.00 0.00 177.10 174.15 1hql s VAL 149 N 0.70 2.74 -1.78 1.60 1.01 -1.26 -0.56 120.40 122.85 1hql s VAL 149 Ca 0.01 -2.62 0.00 0.00 0.00 0.00 0.00 61.98 59.37 1hql s VAL 149 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1hql s VAL 149 CO 0.02 -0.70 0.00 0.59 0.00 0.00 0.00 175.10 175.01 1hql n ASN 150 N 3.93 -5.00 -3.57 3.32 3.02 0.74 -4.87 115.26 112.82 1hql n ASN 150 Ca 0.03 0.28 -0.17 0.00 -0.03 0.00 0.00 54.58 54.70 1hql n ASN 150 Cb 0.39 -4.35 -0.07 0.00 -0.61 0.00 0.00 39.78 35.14 1hql n ASN 150 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1hql s SER 151 N -2.33 -0.55 0.00 6.41 0.15 -1.26 -3.17 113.70 112.94 1hql s SER 151 Ca 0.00 0.57 0.26 0.00 0.70 0.00 0.00 55.95 57.48 1hql s SER 151 Cb 0.00 0.49 1.16 0.00 -1.71 0.00 0.00 66.02 65.96 1hql s SER 151 CO 0.00 -0.58 1.85 0.00 1.20 0.00 0.00 173.24 175.71 1hql n ILE 152 N 0.98 0.20 -3.27 6.45 0.13 -0.56 -4.51 119.36 118.78 1hql n ILE 152 Ca -0.20 0.05 -0.42 0.00 -1.10 0.00 0.00 62.75 61.08 1hql n ILE 152 Cb 0.57 -0.60 -0.08 0.00 -0.84 0.00 0.00 39.64 38.68 1hql n ILE 152 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1hql s VAL 153 N -2.92 5.03 0.36 9.51 1.01 -1.26 -5.04 120.40 127.10 1hql s VAL 153 Ca 0.15 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 1hql s VAL 153 Cb 0.17 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 1hql s VAL 153 CO 0.46 -0.35 1.42 -0.44 0.00 0.00 0.00 175.10 176.19 1hql s SER 154 N 1.82 6.48 0.42 3.32 0.01 -1.26 -4.70 113.70 119.79 1hql s SER 154 Ca 0.16 2.92 0.22 0.00 1.31 0.00 0.00 55.95 60.56 1hql s SER 154 Cb -0.16 -2.66 0.32 0.00 0.21 0.00 0.00 66.02 63.73 1hql s SER 154 CO 0.14 -0.77 1.59 -0.37 0.41 0.00 0.00 173.24 174.25 1hql h VAL 155 N 2.97 0.09 -2.54 3.43 -1.51 -1.67 -3.45 116.25 113.57 1hql h VAL 155 Ca -0.50 -1.13 -0.09 0.00 -1.23 0.00 0.00 66.70 63.75 1hql h VAL 155 Cb 1.24 2.04 -0.21 0.00 -2.13 0.00 0.00 31.29 32.23 1hql h VAL 155 CO 0.64 0.05 -0.09 0.00 -1.23 0.00 0.00 177.57 176.95 1hql s ALA 156 N -3.19 -1.24 0.16 5.19 0.00 -1.25 -5.04 121.76 116.40 1hql s ALA 156 Ca 0.07 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.04 1hql s ALA 156 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1hql s ALA 156 CO 0.68 -0.28 0.19 0.95 0.00 0.00 0.00 175.76 177.30 1hql s THR 157 N -0.58 0.06 -0.03 0.00 -4.23 -1.26 -1.89 115.64 107.72 1hql s THR 157 Ca -0.07 -1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1hql s THR 157 Cb -0.03 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.79 1hql s THR 157 CO 0.04 -0.29 0.07 -0.54 -0.54 0.00 0.00 174.62 173.36 1hql s LYS 158 N -4.03 0.05 0.36 3.99 -0.14 -0.23 -4.99 119.74 114.75 1hql s LYS 158 Ca 0.23 0.18 -0.28 0.00 -1.36 0.00 0.00 55.97 54.74 1hql s LYS 158 Cb 0.05 -0.09 -0.11 0.00 -1.68 0.00 0.00 37.83 36.01 1hql s LYS 158 CO 0.03 -0.09 1.43 0.50 -0.76 0.00 0.00 175.35 176.46 1hql s ARG 159 N 0.56 4.20 -0.33 1.68 3.52 -1.26 -0.64 118.95 126.67 1hql s ARG 159 Ca -0.04 2.45 0.01 0.00 -0.13 0.00 0.00 55.73 58.01 1hql s ARG 159 Cb -0.06 -3.01 0.08 0.00 -1.56 0.00 0.00 34.95 30.41 1hql s ARG 159 CO -0.02 -0.42 0.05 -0.46 -0.81 0.00 0.00 175.30 173.64 1hql s TRP 160 N -1.08 3.52 0.27 5.12 -0.00 -0.75 -4.76 118.94 121.27 1hql s TRP 160 Ca 0.52 -2.49 -0.30 0.00 -0.00 0.00 0.00 56.10 53.82 1hql s TRP 160 Cb -0.44 -2.63 -0.13 0.00 -0.00 0.00 0.00 33.47 30.27 1hql s TRP 160 CO 0.59 -0.91 1.44 0.39 -0.00 0.00 0.00 176.95 178.46 1hql n GLU 161 N 4.45 2.24 0.18 5.86 -0.58 -1.26 -4.47 120.64 127.05 1hql n GLU 161 Ca -0.05 0.79 0.04 0.00 -0.42 0.00 0.00 57.16 57.53 1hql n GLU 161 Cb 0.42 -2.47 0.45 0.00 -0.57 0.00 0.00 31.44 29.27 1hql n GLU 161 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1hql h ASP 162 N 4.03 0.09 -0.11 1.62 3.45 -1.98 -2.19 116.42 121.33 1hql h ASP 162 Ca -0.46 -0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.01 1hql h ASP 162 Cb 1.26 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1hql h ASP 162 CO 0.74 0.27 0.08 0.77 -1.57 0.00 0.00 179.24 179.52 1hql h SER 163 N 0.09 0.01 0.19 6.45 4.64 -1.95 0.62 113.55 123.61 1hql h SER 163 Ca 0.02 -0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.99 1hql h SER 163 Cb 0.35 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1hql h SER 163 CO 0.02 0.01 -1.82 0.44 -0.87 0.00 0.00 176.83 174.61 1hql h ASP 164 N 0.01 0.53 -0.28 4.97 3.45 -1.79 -2.95 116.42 120.35 1hql h ASP 164 Ca 0.05 -0.90 -0.01 0.00 0.43 0.00 0.00 57.03 56.60 1hql h ASP 164 Cb 0.18 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1hql h ASP 164 CO -0.00 1.78 0.14 0.40 -1.57 0.00 0.00 179.24 179.98 1hql h ILE 165 N 0.09 1.15 -0.45 0.35 2.04 -0.85 -2.41 117.51 117.44 1hql h ILE 165 Ca -0.36 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1hql h ILE 165 Cb 2.07 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1hql h ILE 165 CO 0.15 0.16 0.00 0.49 0.00 0.00 0.00 178.15 178.94 1hql n PHE 166 N -4.79 0.89 0.28 1.37 3.01 0.15 -4.38 117.46 113.99 1hql n PHE 166 Ca -0.02 -0.37 0.14 0.00 1.01 0.00 0.00 57.45 58.21 1hql n PHE 166 Cb 0.10 -0.13 0.82 0.00 -0.01 0.00 0.00 39.48 40.27 1hql n PHE 166 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hql h SER 167 N 2.74 0.00 -1.59 4.37 4.64 -1.24 -3.46 113.55 119.00 1hql h SER 167 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1hql h SER 167 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1hql h SER 167 CO 0.11 0.07 -0.30 0.61 -0.87 0.00 0.00 176.83 176.45 1hql n GLY 168 N -0.95 0.04 3.48 -0.77 0.00 -1.26 -5.01 105.19 100.71 1hql n GLY 168 Ca -0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 1hql n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hql s LYS 169 N -4.42 1.69 -0.08 1.61 1.02 -1.26 -5.04 119.74 113.25 1hql s LYS 169 Ca 0.00 -1.80 -0.30 0.00 0.02 0.00 0.00 55.97 53.89 1hql s LYS 169 Cb 0.00 -1.71 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1hql s LYS 169 CO 0.00 0.27 1.08 0.42 -0.92 0.00 0.00 175.35 176.21 1hql s ILE 170 N -2.57 4.57 0.13 2.17 1.01 -1.26 -4.59 121.20 120.66 1hql s ILE 170 Ca 0.30 1.86 -0.02 0.00 0.00 0.00 0.00 60.65 62.79 1hql s ILE 170 Cb -0.03 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1hql s ILE 170 CO 0.15 0.00 0.33 0.00 0.00 0.00 0.00 174.94 175.42 1hql s ALA 171 N 2.07 3.87 -0.17 9.38 0.00 -0.26 -4.31 121.76 132.33 1hql s ALA 171 Ca 0.51 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1hql s ALA 171 Cb -0.21 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1hql s ALA 171 CO 0.20 0.67 -0.19 0.99 0.00 0.00 0.00 175.76 177.42 1hql s THR 172 N -1.66 1.99 -0.12 0.00 2.01 -0.21 -1.57 115.64 116.08 1hql s THR 172 Ca 0.39 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1hql s THR 172 Cb -0.12 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1hql s THR 172 CO 0.27 0.53 0.03 0.00 -0.69 0.00 0.00 174.62 174.75 1hql s ALA 173 N 1.29 3.35 -0.08 7.40 0.00 0.13 -0.55 121.76 133.30 1hql s ALA 173 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1hql s ALA 173 Cb -0.13 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1hql s ALA 173 CO -0.12 0.44 -0.08 1.03 0.00 0.00 0.00 175.76 177.03 1hql s ARG 174 N -0.42 1.38 -0.09 0.00 0.52 0.53 -1.62 118.95 119.26 1hql s ARG 174 Ca 0.09 -0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1hql s ARG 174 Cb -0.12 -1.36 0.01 0.00 0.52 0.00 0.00 34.95 34.00 1hql s ARG 174 CO 0.02 -0.16 -0.14 0.42 0.02 0.00 0.00 175.30 175.46 1hql s ILE 175 N 1.31 1.36 0.07 1.52 1.01 -0.21 0.11 121.20 126.38 1hql s ILE 175 Ca -0.03 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1hql s ILE 175 Cb -0.14 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1hql s ILE 175 CO -0.03 0.41 -0.14 -0.94 0.00 0.00 0.00 174.94 174.23 1hql s SER 176 N 0.78 1.73 -0.06 3.58 1.04 0.53 -0.48 113.70 120.83 1hql s SER 176 Ca -0.12 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 1hql s SER 176 Cb -0.16 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 65.95 1hql s SER 176 CO 0.02 -0.07 0.10 -0.47 0.98 0.00 0.00 173.24 173.80 1hql s TYR 177 N -1.31 -0.06 -0.42 5.02 5.04 -0.31 -0.02 117.35 125.30 1hql s TYR 177 Ca -0.01 0.40 -0.18 0.00 -2.44 0.00 0.00 57.07 54.83 1hql s TYR 177 Cb -0.10 -0.32 0.02 0.00 0.35 0.00 0.00 41.96 41.92 1hql s TYR 177 CO 0.02 -0.20 0.49 0.34 -1.34 0.00 0.00 175.55 174.86 1hql s ASP 178 N 1.93 6.23 0.58 4.32 3.68 -0.68 -1.68 116.67 131.05 1hql s ASP 178 Ca 0.01 -0.56 0.32 0.00 2.13 0.00 0.00 52.55 54.44 1hql s ASP 178 Cb -0.12 -2.25 1.77 0.00 -1.45 0.00 0.00 42.92 40.88 1hql s ASP 178 CO -0.04 -0.62 2.19 1.23 0.13 0.00 0.00 175.17 178.06 1hql h GLY 179 N 9.20 0.00 0.20 2.66 0.00 -1.71 0.51 103.07 113.93 1hql h GLY 179 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1hql h GLY 179 CO 0.81 0.00 -0.53 1.76 0.00 0.00 0.00 176.54 178.59 1hql h SER 180 N 0.00 0.14 1.64 0.19 0.02 -1.89 -3.35 113.55 110.30 1hql h SER 180 Ca -0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 1hql h SER 180 Cb 0.16 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1hql h SER 180 CO 0.01 1.23 -0.03 0.00 -1.14 0.00 0.00 176.83 176.90 1hql h ALA 181 N -0.07 0.98 -5.61 3.77 0.00 -1.94 -3.48 119.26 112.92 1hql h ALA 181 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.47 1hql h ALA 181 Cb 1.27 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.23 1hql h ALA 181 CO 0.00 0.00 -0.77 0.39 0.00 0.00 0.00 179.25 178.87 1hql n GLU 182 N -2.57 -6.13 -4.62 0.00 1.02 0.18 -4.89 120.64 103.63 1hql n GLU 182 Ca 0.05 0.85 -0.27 0.00 -0.02 0.00 0.00 57.16 57.77 1hql n GLU 182 Cb 0.47 -5.85 -0.17 0.00 -0.02 0.00 0.00 31.44 25.88 1hql n GLU 182 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1hql s ILE 183 N -3.36 1.35 -0.18 -3.67 1.01 -1.10 -0.86 121.20 114.39 1hql s ILE 183 Ca 0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1hql s ILE 183 Cb -0.01 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1hql s ILE 183 CO 0.73 0.40 0.05 -0.22 0.00 0.00 0.00 174.94 175.90 1hql s LEU 184 N 0.73 3.74 -0.03 2.97 2.96 -0.41 -1.68 118.68 126.96 1hql s LEU 184 Ca -0.13 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1hql s LEU 184 Cb -0.16 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1hql s LEU 184 CO 0.03 0.16 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.17 1hql s THR 185 N 0.42 1.30 -0.05 3.68 2.01 0.98 -1.58 115.64 122.40 1hql s THR 185 Ca 0.02 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1hql s THR 185 Cb -0.13 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 1hql s THR 185 CO 0.01 0.37 -0.17 0.54 -0.69 0.00 0.00 174.62 174.68 1hql s VAL 186 N -0.12 1.42 -0.10 3.82 0.11 0.17 -0.34 120.40 125.37 1hql s VAL 186 Ca 0.00 -0.70 -0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1hql s VAL 186 Cb -0.09 -1.23 0.02 0.00 -1.53 0.00 0.00 36.38 33.55 1hql s VAL 186 CO 0.01 0.41 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.43 1hql s VAL 187 N 0.12 0.89 -0.22 2.04 1.01 0.12 -1.47 120.40 122.89 1hql s VAL 187 Ca -0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1hql s VAL 187 Cb -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1hql s VAL 187 CO 0.03 0.34 0.03 -0.22 0.00 0.00 0.00 175.10 175.28 1hql s LEU 188 N 1.61 3.33 -0.02 3.92 0.20 -0.47 -0.34 118.68 126.91 1hql s LEU 188 Ca 0.02 -0.21 0.06 0.00 0.69 0.00 0.00 54.13 54.69 1hql s LEU 188 Cb -0.13 -1.87 -0.01 0.00 -0.43 0.00 0.00 46.19 43.75 1hql s LEU 188 CO -0.06 0.02 -0.20 -0.44 -0.29 0.00 0.00 176.35 175.38 1hql s SER 189 N 1.29 2.34 -0.00 3.68 0.01 0.29 -0.47 113.70 120.83 1hql s SER 189 Ca 0.04 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 56.99 1hql s SER 189 Cb -0.15 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 1hql s SER 189 CO 0.02 0.24 -0.16 -0.31 0.41 0.00 0.00 173.24 173.44 1hql s TYR 190 N -0.42 2.64 0.63 2.43 1.51 -0.72 -1.05 117.35 122.38 1hql s TYR 190 Ca 0.06 -0.20 0.30 0.00 -1.01 0.00 0.00 57.07 56.23 1hql s TYR 190 Cb -0.08 -1.55 1.64 0.00 -0.11 0.00 0.00 41.96 41.86 1hql s TYR 190 CO -0.00 0.22 1.98 -1.00 -1.11 0.00 0.00 175.55 175.63 1hql h PRO 191 N 4.92 0.00 0.00 -1.71 0.13 -1.90 -3.13 132.00 130.31 1hql h PRO 191 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1hql h PRO 191 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1hql h PRO 191 CO 0.49 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.01 1hql n ASP 192 N -3.30 0.00 0.00 1.44 8.00 -1.26 -4.92 116.55 116.51 1hql n ASP 192 Ca 0.01 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1hql n ASP 192 Cb 0.43 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1hql n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hql n GLY 193 N -0.41 0.00 3.01 0.44 0.00 -1.18 -5.15 105.19 101.89 1hql n GLY 193 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1hql n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hql s SER 194 N 0.00 1.83 -0.07 1.61 1.04 -1.25 -5.04 113.70 111.82 1hql s SER 194 Ca 0.00 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.16 1hql s SER 194 Cb 0.00 -0.83 0.01 0.00 0.10 0.00 0.00 66.02 65.30 1hql s SER 194 CO 0.00 0.01 -0.15 -1.81 0.98 0.00 0.00 173.24 172.27 1hql s ASP 195 N 0.82 2.03 -0.18 7.02 1.01 -1.26 -1.76 116.67 124.36 1hql s ASP 195 Ca -0.12 -0.35 -0.07 0.00 0.71 0.00 0.00 52.55 52.73 1hql s ASP 195 Cb -0.15 -0.92 -0.04 0.00 1.01 0.00 0.00 42.92 42.82 1hql s ASP 195 CO 0.02 0.06 0.05 -0.31 0.21 0.00 0.00 175.17 175.20 1hql s TYR 196 N 0.57 3.23 -0.08 4.23 1.51 0.38 -4.95 117.35 122.24 1hql s TYR 196 Ca -0.15 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1hql s TYR 196 Cb -0.16 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1hql s TYR 196 CO 0.05 0.14 -0.21 0.42 -1.11 0.00 0.00 175.55 174.84 1hql s ILE 197 N 0.35 1.80 -0.09 2.71 1.09 -1.26 -1.37 121.20 124.42 1hql s ILE 197 Ca 0.02 -0.87 -0.04 0.00 -1.10 0.00 0.00 60.65 58.66 1hql s ILE 197 Cb -0.13 -1.56 0.05 0.00 -1.06 0.00 0.00 42.46 39.76 1hql s ILE 197 CO 0.00 0.50 0.18 -0.22 -0.10 0.00 0.00 174.94 175.31 1hql s LEU 198 N 0.36 -0.01 0.09 2.97 2.96 -0.54 -5.01 118.68 119.50 1hql s LEU 198 Ca -0.16 0.40 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 1hql s LEU 198 Cb -0.17 0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.89 1hql s LEU 198 CO 0.07 -0.23 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.26 1hql s SER 199 N 2.14 2.05 -0.17 3.68 0.01 -1.26 -0.65 113.70 119.49 1hql s SER 199 Ca 0.01 -0.68 -0.28 0.00 1.31 0.00 0.00 55.95 56.31 1hql s SER 199 Cb -0.12 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.11 1hql s SER 199 CO -0.06 -0.04 0.76 -2.28 0.41 0.00 0.00 173.24 172.02 1hql s HIS 200 N -1.40 -0.67 0.20 2.43 2.46 -0.62 -5.01 115.29 112.68 1hql s HIS 200 Ca 0.03 1.42 -0.30 0.00 0.47 0.00 0.00 55.06 56.69 1hql s HIS 200 Cb -0.09 0.35 -0.08 0.00 -0.13 0.00 0.00 32.58 32.63 1hql s HIS 200 CO 0.03 -0.46 1.11 -1.54 -2.47 0.00 0.00 174.74 171.42 1hql s SER 201 N -0.40 7.24 -0.24 9.88 1.04 -1.26 -1.29 113.70 128.66 1hql s SER 201 Ca -0.04 2.15 -0.14 0.00 0.48 0.00 0.00 55.95 58.40 1hql s SER 201 Cb -0.03 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.56 1hql s SER 201 CO 0.04 -0.22 0.60 0.54 0.98 0.00 0.00 173.24 175.17 1hql s VAL 202 N -0.42 -0.01 -0.41 5.02 0.11 -0.04 -4.90 120.40 119.75 1hql s VAL 202 Ca 0.49 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.46 1hql s VAL 202 Cb -0.30 -0.87 0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1hql s VAL 202 CO 0.37 0.01 0.25 -0.62 -3.33 0.00 0.00 175.10 171.78 1hql s ASP 203 N 1.54 5.73 0.48 3.54 3.68 -1.26 -4.29 116.67 126.08 1hql s ASP 203 Ca -0.10 -1.29 0.14 0.00 2.13 0.00 0.00 52.55 53.43 1hql s ASP 203 Cb -0.06 -2.02 1.13 0.00 -1.45 0.00 0.00 42.92 40.52 1hql s ASP 203 CO -0.17 -0.49 2.09 0.24 0.13 0.00 0.00 175.17 176.96 1hql h MET 204 N 8.46 0.21 -0.48 4.34 2.86 -1.95 -2.70 114.93 125.67 1hql h MET 204 Ca -0.24 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1hql h MET 204 Cb 1.09 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1hql h MET 204 CO 0.74 0.14 0.33 0.00 1.06 0.00 0.00 176.91 179.17 1hql h ARG 205 N 0.22 0.26 -0.62 1.72 3.08 -1.93 0.11 114.38 117.22 1hql h ARG 205 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1hql h ARG 205 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1hql h ARG 205 CO -0.02 0.17 0.00 1.04 -1.07 0.00 0.00 179.97 180.09 1hql n GLN 206 N -4.46 3.26 0.00 0.04 6.02 -1.02 -4.41 117.38 116.82 1hql n GLN 206 Ca 0.07 -2.71 0.00 0.00 -0.01 0.00 0.00 57.00 54.35 1hql n GLN 206 Cb 0.36 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1hql n GLN 206 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1hql n ASN 207 N 1.13 0.27 -3.79 1.08 3.02 -0.64 -5.09 115.26 111.24 1hql n ASN 207 Ca 0.23 -0.11 -0.11 0.00 -0.03 0.00 0.00 54.58 54.56 1hql n ASN 207 Cb 0.74 0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 40.12 1hql n ASN 207 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hql s LEU 208 N -0.62 1.10 1.02 3.41 1.43 0.30 -4.27 118.68 121.05 1hql s LEU 208 Ca 0.00 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1hql s LEU 208 Cb 0.00 1.18 0.20 0.00 0.03 0.00 0.00 46.19 47.60 1hql s LEU 208 CO 0.00 -0.60 1.10 -2.16 0.23 0.00 0.00 176.35 174.92 1hql s PRO 209 N -2.62 0.22 0.43 1.29 0.04 -1.26 -4.55 135.00 128.54 1hql s PRO 209 Ca -0.05 0.43 0.09 0.00 0.04 0.00 0.00 61.00 61.51 1hql s PRO 209 Cb -0.01 -1.72 0.94 0.00 0.04 0.00 0.00 34.50 33.75 1hql s PRO 209 CO -0.04 -2.85 2.06 0.93 0.04 0.00 0.00 177.00 177.14 1hql h GLU 210 N -1.98 0.45 -5.76 4.56 5.08 -1.95 -3.41 114.58 111.56 1hql h GLU 210 Ca -0.54 -0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.11 1hql h GLU 210 Cb 1.33 -0.10 -0.31 0.00 0.50 0.00 0.00 28.75 30.17 1hql h GLU 210 CO 0.56 0.30 -0.87 0.45 -1.00 0.00 0.00 179.01 178.45 1hql s SER 211 N -6.68 3.20 0.26 1.42 0.15 -1.26 0.28 113.70 111.07 1hql s SER 211 Ca -0.08 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.06 1hql s SER 211 Cb 0.18 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 1hql s SER 211 CO 0.73 0.22 0.27 0.68 1.20 0.00 0.00 173.24 176.33 1hql s VAL 212 N 0.01 0.00 0.08 4.45 -7.23 -0.51 -4.32 120.40 112.88 1hql s VAL 212 Ca -0.08 -1.84 0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1hql s VAL 212 Cb -0.15 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1hql s VAL 212 CO 0.05 0.00 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.46 1hql s ARG 213 N -3.82 1.54 0.10 4.82 0.52 0.10 0.23 118.95 122.45 1hql s ARG 213 Ca 0.35 -1.17 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 1hql s ARG 213 Cb 0.04 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 1hql s ARG 213 CO 0.16 0.45 0.02 0.14 0.02 0.00 0.00 175.30 176.10 1hql s VAL 214 N -0.92 4.11 0.10 3.52 -7.23 -1.26 -1.61 120.40 117.11 1hql s VAL 214 Ca 0.11 -1.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.16 1hql s VAL 214 Cb -0.10 -2.98 0.04 0.00 0.56 0.00 0.00 36.38 33.90 1hql s VAL 214 CO 0.03 0.08 0.61 0.61 -0.31 0.00 0.00 175.10 176.12 1hql n GLY 215 N 0.42 0.87 3.08 2.32 0.00 -0.72 -1.41 105.19 109.74 1hql n GLY 215 Ca -0.10 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 1hql n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hql s ILE 216 N -2.27 0.96 0.20 -0.61 1.01 -0.77 -1.07 121.20 118.66 1hql s ILE 216 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1hql s ILE 216 Cb -0.02 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1hql s ILE 216 CO 0.03 0.27 0.03 -0.55 0.00 0.00 0.00 174.94 174.72 1hql s SER 217 N -0.28 1.24 0.18 3.58 0.15 0.71 -1.09 113.70 118.19 1hql s SER 217 Ca 0.05 -1.24 -0.19 0.00 0.70 0.00 0.00 55.95 55.26 1hql s SER 217 Cb -0.05 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1hql s SER 217 CO -0.00 -0.61 0.55 0.00 1.20 0.00 0.00 173.24 174.37 1hql s ALA 218 N -3.67 -1.18 0.25 5.45 0.00 -0.74 -0.79 121.76 121.07 1hql s ALA 218 Ca 0.28 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 1hql s ALA 218 Cb 0.07 0.84 0.03 0.00 0.00 0.00 0.00 23.12 24.05 1hql s ALA 218 CO 0.07 -0.79 0.72 -1.54 0.00 0.00 0.00 175.76 174.23 1hql s SER 219 N -2.82 -0.29 0.15 0.00 1.04 -1.21 -2.06 113.70 108.49 1hql s SER 219 Ca 0.06 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1hql s SER 219 Cb -0.01 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1hql s SER 219 CO -0.07 -1.26 0.02 0.42 0.98 0.00 0.00 173.24 173.32 1hql s THR 220 N -3.85 0.45 0.00 2.02 -4.23 -0.40 -1.02 115.64 108.61 1hql s THR 220 Ca 0.10 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1hql s THR 220 Cb -0.05 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1hql s THR 220 CO 0.04 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1hql n GLY 221 N -0.16 2.26 0.12 3.99 0.00 -1.26 -1.07 105.19 109.07 1hql n GLY 221 Ca -0.07 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1hql n GLY 221 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1hql h ASN 222 N 0.00 0.36 -4.19 1.61 2.35 -1.96 0.86 115.58 114.61 1hql h ASN 222 Ca 0.00 -0.69 -0.51 0.00 -0.55 0.00 0.00 56.30 54.55 1hql h ASN 222 Cb 0.00 -0.11 0.20 0.00 0.05 0.00 0.00 38.32 38.46 1hql h ASN 222 CO 0.00 0.99 0.21 0.20 -1.65 0.00 0.00 177.43 177.18 1hql s ASN 223 N -6.39 2.77 -0.29 5.81 0.02 -1.26 -4.83 114.94 110.77 1hql s ASN 223 Ca -0.15 2.13 0.20 0.00 -1.02 0.00 0.00 52.86 54.02 1hql s ASN 223 Cb 0.03 -2.55 0.49 0.00 0.02 0.00 0.00 41.25 39.24 1hql s ASN 223 CO 0.77 -3.19 1.07 0.00 0.02 0.00 0.00 177.10 175.77 1hql n GLN 224 N -4.28 1.78 0.00 -0.60 6.02 -1.26 -4.75 117.38 114.29 1hql n GLN 224 Ca 0.11 -3.53 0.09 0.00 -0.01 0.00 0.00 57.00 53.66 1hql n GLN 224 Cb 0.52 -1.58 0.07 0.00 1.02 0.00 0.00 30.24 30.27 1hql n GLN 224 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1hql n PHE 225 N -0.45 0.00 -4.28 1.08 0.99 -1.26 -4.50 117.46 109.04 1hql n PHE 225 Ca 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.39 1hql n PHE 225 Cb 0.81 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 39.15 1hql n PHE 225 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1hql s LEU 226 N -1.44 2.02 -0.04 4.37 1.98 -1.26 -1.26 118.68 123.05 1hql s LEU 226 Ca 0.20 -0.15 -0.02 0.00 -2.89 0.00 0.00 54.13 51.27 1hql s LEU 226 Cb 0.14 -0.38 0.03 0.00 0.66 0.00 0.00 46.19 46.64 1hql s LEU 226 CO 0.22 0.08 0.07 -0.89 -1.89 0.00 0.00 176.35 173.94 1hql s THR 227 N -0.22 -0.12 -0.02 3.68 2.01 -0.82 -4.78 115.64 115.37 1hql s THR 227 Ca 0.03 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.28 1hql s THR 227 Cb -0.03 -0.16 -0.06 0.00 0.01 0.00 0.00 72.50 72.26 1hql s THR 227 CO -0.00 0.17 0.44 -0.69 -0.69 0.00 0.00 174.62 173.86 1hql s VAL 228 N 2.14 5.02 -0.03 3.82 1.01 -1.26 -1.95 120.40 129.15 1hql s VAL 228 Ca 0.04 0.92 0.03 0.00 0.00 0.00 0.00 61.98 62.97 1hql s VAL 228 Cb -0.12 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1hql s VAL 228 CO -0.03 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.16 1hql s TYR 229 N -0.69 1.16 -0.26 5.22 2.02 -0.87 -4.08 117.35 119.85 1hql s TYR 229 Ca 0.25 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.60 1hql s TYR 229 Cb -0.17 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1hql s TYR 229 CO 0.13 -0.10 0.02 0.42 -1.57 0.00 0.00 175.55 174.45 1hql s ILE 230 N 0.09 3.67 0.03 2.71 1.01 -0.22 -0.89 121.20 127.59 1hql s ILE 230 Ca -0.02 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1hql s ILE 230 Cb -0.09 -2.81 -0.24 0.00 0.01 0.00 0.00 42.46 39.34 1hql s ILE 230 CO 0.01 0.23 0.93 -0.07 0.00 0.00 0.00 174.94 176.04 1hql h LEU 231 N 8.16 0.15 -7.57 2.97 3.38 -1.53 0.11 115.31 120.97 1hql h LEU 231 Ca -0.35 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 1hql h LEU 231 Cb 1.14 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1hql h LEU 231 CO 0.59 1.18 -0.11 -0.94 0.09 0.00 0.00 178.44 179.26 1hql s SER 232 N -6.63 -0.18 -0.28 -0.43 1.04 -1.25 -3.96 113.70 102.01 1hql s SER 232 Ca -0.05 -0.45 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 1hql s SER 232 Cb 0.08 0.48 0.12 0.00 0.10 0.00 0.00 66.02 66.80 1hql s SER 232 CO 0.83 -0.89 0.86 0.86 0.98 0.00 0.00 173.24 175.88 1hql s TRP 233 N -3.84 -0.77 0.05 5.02 -0.00 0.32 -2.31 118.94 117.40 1hql s TRP 233 Ca 0.06 1.56 -0.00 0.00 -0.00 0.00 0.00 56.10 57.73 1hql s TRP 233 Cb 0.02 0.46 -0.03 0.00 -0.00 0.00 0.00 33.47 33.91 1hql s TRP 233 CO -0.08 -0.38 -0.04 -0.98 -0.00 0.00 0.00 176.95 175.46 1hql s ARG 234 N 1.40 0.56 -0.13 5.86 1.70 0.28 0.73 118.95 129.35 1hql s ARG 234 Ca -0.09 -1.05 -0.25 0.00 -0.47 0.00 0.00 55.73 53.88 1hql s ARG 234 Cb -0.04 0.09 0.06 0.00 -0.57 0.00 0.00 34.95 34.48 1hql s ARG 234 CO -0.16 -0.07 0.61 0.12 -1.08 0.00 0.00 175.30 174.71 1hql s PHE 235 N -3.07 -0.61 -0.04 5.89 5.36 -0.02 -1.21 117.98 124.28 1hql s PHE 235 Ca 0.01 1.26 -0.09 0.00 -0.96 0.00 0.00 56.93 57.15 1hql s PHE 235 Cb 0.02 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 43.00 1hql s PHE 235 CO -0.06 -0.45 0.21 -1.54 -1.46 0.00 0.00 175.22 171.91 1hql s SER 236 N -0.52 -0.14 0.04 6.13 1.04 -0.30 -0.44 113.70 119.51 1hql s SER 236 Ca -0.06 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 1hql s SER 236 Cb -0.03 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1hql s SER 236 CO 0.05 -0.24 -0.02 -0.55 0.98 0.00 0.00 173.24 173.45 1hql s SER 237 N -0.65 0.39 -0.17 7.02 0.15 0.12 -0.65 113.70 119.91 1hql s SER 237 Ca -0.07 -0.81 -0.08 0.00 0.70 0.00 0.00 55.95 55.69 1hql s SER 237 Cb -0.04 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.50 1hql s SER 237 CO 0.01 -0.49 0.38 0.20 1.20 0.00 0.00 173.24 174.55 1hql s ASN 238 N -2.38 -0.31 0.00 5.45 0.01 0.37 -3.21 114.94 114.87 1hql s ASN 238 Ca -0.02 0.87 0.23 0.00 -0.71 0.00 0.00 52.86 53.23 1hql s ASN 238 Cb 0.01 0.93 1.35 0.00 0.41 0.00 0.00 41.25 43.95 1hql s ASN 238 CO -0.07 -0.21 1.72 0.18 -1.51 0.00 0.00 177.10 177.22