#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hql n LEU 2 N 0.00 3.71 -3.16 4.03 7.94 -1.26 -4.95 117.00 123.31 2hql n LEU 2 Ca 0.00 0.96 0.03 0.00 -1.11 0.00 0.00 56.01 55.89 2hql n LEU 2 Cb 0.00 -1.44 -0.00 0.00 0.53 0.00 0.00 43.42 42.51 2hql n LEU 2 CO 0.00 0.03 0.14 0.21 -1.11 0.00 0.00 177.39 176.66 2hql s ASN 3 N 3.81 -1.48 -0.10 1.96 3.84 -1.26 -5.12 114.94 116.60 2hql s ASN 3 Ca 0.89 -0.19 -0.02 0.00 0.21 0.00 0.00 52.86 53.75 2hql s ASN 3 Cb -0.59 1.90 0.04 0.00 -0.55 0.00 0.00 41.25 42.05 2hql s ASN 3 CO 0.46 -0.23 0.04 -0.13 -2.79 0.00 0.00 177.10 174.45 2hql s ARG 4 N 2.44 0.34 -0.14 0.43 0.52 -1.26 -4.65 118.95 116.63 2hql s ARG 4 Ca 0.13 0.07 -0.04 0.00 -0.52 0.00 0.00 55.73 55.38 2hql s ARG 4 Cb -0.07 -1.15 -0.03 0.00 0.52 0.00 0.00 34.95 34.22 2hql s ARG 4 CO -0.18 -0.42 -0.01 0.08 0.02 0.00 0.00 175.30 174.79 2hql s VAL 5 N 2.04 4.20 -0.20 3.52 1.01 0.20 -4.96 120.40 126.20 2hql s VAL 5 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2hql s VAL 5 Cb -0.13 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.46 2hql s VAL 5 CO -0.06 0.53 -0.09 -0.36 0.00 0.00 0.00 175.10 175.12 2hql s PHE 6 N -0.07 2.38 -0.03 5.22 0.08 -1.26 0.34 117.98 124.64 2hql s PHE 6 Ca 0.03 -1.59 -0.09 0.00 0.12 0.00 0.00 56.93 55.40 2hql s PHE 6 Cb -0.13 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2hql s PHE 6 CO 0.02 -0.74 0.20 -1.17 -0.10 0.00 0.00 175.22 173.43 2hql s LEU 7 N 1.41 1.27 0.15 -0.37 0.20 -0.93 -5.01 118.68 115.41 2hql s LEU 7 Ca -0.02 0.04 0.08 0.00 0.69 0.00 0.00 54.13 54.92 2hql s LEU 7 Cb -0.17 0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 46.40 2hql s LEU 7 CO -0.08 -0.31 -0.17 -1.83 -0.29 0.00 0.00 176.35 173.68 2hql s GLU 8 N -0.96 1.20 0.00 1.98 -1.05 -1.26 0.35 118.70 118.96 2hql s GLU 8 Ca -0.10 -1.37 -0.28 0.00 -0.15 0.00 0.00 54.97 53.07 2hql s GLU 8 Cb -0.05 -1.19 0.09 0.00 -0.44 0.00 0.00 34.13 32.54 2hql s GLU 8 CO 0.02 0.23 1.26 0.20 0.95 0.00 0.00 175.26 177.93 2hql s GLY 9 N -2.65 -0.10 -0.23 -3.83 0.00 0.37 -4.90 107.32 95.98 2hql s GLY 9 Ca 0.14 -0.00 -0.18 0.00 0.00 0.00 0.00 44.72 44.68 2hql s GLY 9 CO 0.05 5.34 0.51 1.85 0.00 0.00 0.00 173.10 180.86 2hql s GLU 10 N -2.04 4.13 -0.20 2.90 2.56 -0.39 -1.29 118.70 124.37 2hql s GLU 10 Ca 0.29 0.36 -0.29 0.00 0.00 0.00 0.00 54.97 55.33 2hql s GLU 10 Cb -0.01 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.49 2hql s GLU 10 CO -0.00 -0.25 1.63 0.42 -0.56 0.00 0.00 175.26 176.50 2hql s ILE 11 N 1.97 3.67 -0.25 -3.70 1.01 0.23 -0.67 121.20 123.46 2hql s ILE 11 Ca 0.22 0.76 -0.16 0.00 0.00 0.00 0.00 60.65 61.48 2hql s ILE 11 Cb -0.15 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 2hql s ILE 11 CO 0.09 -0.26 -0.25 -0.62 0.00 0.00 0.00 174.94 173.91 2hql n GLU 12 N 7.61 0.58 -2.44 2.79 -0.58 -0.30 -4.96 120.64 123.34 2hql n GLU 12 Ca 0.19 0.32 -0.05 0.00 -0.42 0.00 0.00 57.16 57.20 2hql n GLU 12 Cb 0.45 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 2hql n GLU 12 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2hql n SER 13 N -4.31 -0.33 -3.65 1.62 3.41 -1.17 -4.99 113.62 104.19 2hql n SER 13 Ca -0.45 -1.60 -0.02 0.00 -0.26 0.00 0.00 58.87 56.53 2hql n SER 13 Cb 0.80 0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 65.39 2hql n SER 13 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2hql s SER 14 N -1.67 -0.00 -0.22 4.04 1.04 -1.26 -2.40 113.70 113.23 2hql s SER 14 Ca 0.10 0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.23 2hql s SER 14 Cb 0.00 0.01 0.16 0.00 0.10 0.00 0.00 66.02 66.28 2hql s SER 14 CO 0.07 -0.01 1.19 0.00 0.98 0.00 0.00 173.24 175.47 2hql s TRP 16 N -1.30 2.79 0.65 0.00 0.52 -1.26 -0.38 118.94 119.95 2hql s TRP 16 Ca 0.05 0.18 -0.05 0.00 0.02 0.00 0.00 56.10 56.30 2hql s TRP 16 Cb -0.01 -2.99 0.04 0.00 -1.15 0.00 0.00 33.47 29.37 2hql s TRP 16 CO -0.04 -1.19 0.94 -1.12 0.02 0.00 0.00 176.95 175.57 2hql s SER 17 N -4.49 5.06 0.04 2.95 0.01 -0.18 -4.88 113.70 112.21 2hql s SER 17 Ca 0.59 0.41 -0.17 0.00 1.31 0.00 0.00 55.95 58.10 2hql s SER 17 Cb -0.10 -1.18 -0.08 0.00 0.21 0.00 0.00 66.02 64.87 2hql s SER 17 CO 0.42 -1.40 1.26 0.58 0.41 0.00 0.00 173.24 174.51 2hql h VAL 18 N -0.38 0.00 0.00 3.43 2.07 -1.99 0.16 116.25 119.55 2hql h VAL 18 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2hql h VAL 18 Cb 1.30 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2hql h VAL 18 CO 0.59 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.47 2hql n LYS 19 N -3.81 0.97 -4.41 1.57 5.02 -1.26 -4.78 118.16 111.47 2hql n LYS 19 Ca -0.06 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.87 2hql n LYS 19 Cb 0.22 -1.25 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 2hql n LYS 19 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hql n LYS 20 N 0.26 -1.02 0.11 1.97 5.02 0.57 -4.79 118.16 120.28 2hql n LYS 20 Ca 0.00 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 2hql n LYS 20 Cb 0.36 -4.19 0.46 0.00 -0.02 0.00 0.00 35.03 31.65 2hql n LYS 20 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2hql n THR 21 N -4.34 0.77 -3.69 -0.18 -2.24 -1.26 -4.77 114.28 98.56 2hql n THR 21 Ca -0.11 0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 2hql n THR 21 Cb 0.58 -1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 2hql n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2hql s GLY 22 N -3.50 -0.30 -0.13 3.38 0.00 -1.26 -4.50 107.32 101.00 2hql s GLY 22 Ca 0.06 0.39 -0.00 0.00 0.00 0.00 0.00 44.72 45.17 2hql s GLY 22 CO 0.43 0.08 -0.08 -0.12 0.00 0.00 0.00 173.10 173.41 2hql s PHE 23 N -3.04 1.66 0.12 1.90 5.36 -0.92 -1.01 117.98 122.04 2hql s PHE 23 Ca 0.12 -0.91 0.04 0.00 -0.96 0.00 0.00 56.93 55.22 2hql s PHE 23 Cb 0.00 -1.32 -0.04 0.00 -0.34 0.00 0.00 43.02 41.33 2hql s PHE 23 CO -0.00 -0.57 0.13 -0.51 -1.46 0.00 0.00 175.22 172.81 2hql s LEU 24 N 1.65 3.89 -0.03 6.12 1.02 0.49 -2.31 118.68 129.51 2hql s LEU 24 Ca 0.04 -0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 2hql s LEU 24 Cb -0.13 -2.52 0.01 0.00 0.02 0.00 0.00 46.19 43.57 2hql s LEU 24 CO -0.08 0.12 0.06 -0.69 0.02 0.00 0.00 176.35 175.78 2hql s VAL 25 N -1.59 -0.01 -0.18 -1.59 1.01 0.17 -0.90 120.40 117.32 2hql s VAL 25 Ca 0.31 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 2hql s VAL 25 Cb -0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 2hql s VAL 25 CO 0.24 0.02 0.23 -0.89 0.00 0.00 0.00 175.10 174.70 2hql s THR 26 N 0.31 5.35 0.13 3.92 2.01 -1.01 -0.81 115.64 125.54 2hql s THR 26 Ca -0.02 0.41 0.10 0.00 0.31 0.00 0.00 61.69 62.48 2hql s THR 26 Cb -0.03 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2hql s THR 26 CO -0.01 0.41 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 2hql s ILE 27 N 0.43 2.71 -0.05 1.82 1.09 0.73 -1.15 121.20 126.79 2hql s ILE 27 Ca 0.13 -1.61 0.06 0.00 -1.10 0.00 0.00 60.65 58.13 2hql s ILE 27 Cb -0.12 -2.25 -0.01 0.00 -1.06 0.00 0.00 42.46 39.02 2hql s ILE 27 CO 0.02 0.07 -0.24 -0.75 -0.10 0.00 0.00 174.94 173.93 2hql s LYS 28 N -2.21 2.51 -0.05 2.79 2.20 0.15 -1.03 119.74 124.09 2hql s LYS 28 Ca 0.18 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2hql s LYS 28 Cb -0.10 -2.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.07 2hql s LYS 28 CO 0.10 0.42 -0.05 -1.14 -0.36 0.00 0.00 175.35 174.31 2hql s GLN 29 N -0.26 0.96 0.33 4.03 0.74 0.12 -1.26 119.66 124.33 2hql s GLN 29 Ca -0.01 -0.13 -0.29 0.00 0.05 0.00 0.00 55.36 54.98 2hql s GLN 29 Cb -0.13 -0.97 -0.11 0.00 1.10 0.00 0.00 33.01 32.91 2hql s GLN 29 CO 0.03 -0.10 1.43 -1.64 -0.55 0.00 0.00 175.29 174.46 2hql s MET 30 N 1.02 4.22 -0.02 1.67 -1.94 -1.26 0.60 119.30 123.59 2hql s MET 30 Ca -0.09 2.41 -0.02 0.00 -1.71 0.00 0.00 55.69 56.28 2hql s MET 30 Cb -0.14 -3.03 0.01 0.00 2.01 0.00 0.00 34.83 33.67 2hql s MET 30 CO -0.00 -0.41 0.05 0.50 -0.01 0.00 0.00 175.02 175.15 2hql s ARG 31 N -1.56 0.06 0.27 2.03 3.52 -0.73 -4.83 118.95 117.71 2hql s ARG 31 Ca 0.54 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 56.21 2hql s ARG 31 Cb -0.44 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 2hql s ARG 31 CO 0.55 -0.02 0.47 -0.06 -0.81 0.00 0.00 175.30 175.44 2hql s PHE 32 N 0.08 3.48 -0.45 5.12 0.08 -1.26 0.13 117.98 125.17 2hql s PHE 32 Ca -0.00 0.38 0.06 0.00 0.12 0.00 0.00 56.93 57.49 2hql s PHE 32 Cb -0.01 -1.90 0.19 0.00 -0.57 0.00 0.00 43.02 40.73 2hql s PHE 32 CO -0.00 0.26 0.53 0.34 -0.10 0.00 0.00 175.22 176.25 2hql n PHE 33 N -1.10 -1.92 -0.18 0.36 7.35 0.12 -4.88 117.46 117.21 2hql n PHE 33 Ca -0.04 -2.64 0.00 0.00 -0.76 0.00 0.00 57.45 54.01 2hql n PHE 33 Cb 0.55 0.65 0.00 0.00 0.35 0.00 0.00 39.48 41.02 2hql n PHE 33 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hql n GLY 34 N 2.55 0.68 0.09 7.13 0.00 -1.26 -2.62 105.19 111.75 2hql n GLY 34 Ca 0.23 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.74 2hql n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hql n GLU 35 N 12.24 0.25 -2.42 1.61 1.02 -1.26 -4.83 120.64 127.25 2hql n GLU 35 Ca 0.00 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 2hql n GLU 35 Cb 0.00 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 2hql n GLU 35 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2hql s ARG 36 N -3.11 4.31 -0.59 3.49 0.52 -1.08 -4.99 118.95 117.50 2hql s ARG 36 Ca 0.10 1.71 -0.18 0.00 -0.52 0.00 0.00 55.73 56.84 2hql s ARG 36 Cb 0.13 -3.61 0.12 0.00 0.52 0.00 0.00 34.95 32.11 2hql s ARG 36 CO 0.63 -0.53 0.65 -1.17 0.02 0.00 0.00 175.30 174.90 2hql s LEU 37 N 2.55 5.72 0.00 2.53 0.20 -1.26 -0.70 118.68 127.72 2hql s LEU 37 Ca 0.57 -1.63 0.00 0.00 0.69 0.00 0.00 54.13 53.76 2hql s LEU 37 Cb -0.25 -2.27 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 2hql s LEU 37 CO 0.21 -1.00 0.00 0.49 -0.29 0.00 0.00 176.35 175.75 2hql n PHE 38 N 5.87 -1.04 -3.94 5.38 3.72 0.35 -4.89 117.46 122.90 2hql n PHE 38 Ca -0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 2hql n PHE 38 Cb 0.42 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.86 2hql n PHE 38 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2hql s THR 39 N 0.84 0.12 -0.02 4.37 -4.23 -1.26 -1.77 115.64 113.70 2hql s THR 39 Ca 0.00 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2hql s THR 39 Cb 0.00 -0.67 -0.01 0.00 1.34 0.00 0.00 72.50 73.17 2hql s THR 39 CO 0.00 -0.55 -0.14 -1.81 -0.54 0.00 0.00 174.62 171.58 2hql s ASP 40 N -1.83 1.67 -0.13 3.99 1.11 0.20 -4.77 116.67 116.91 2hql s ASP 40 Ca -0.09 -0.26 0.01 0.00 0.18 0.00 0.00 52.55 52.39 2hql s ASP 40 Cb -0.04 -0.26 -0.01 0.00 1.07 0.00 0.00 42.92 43.68 2hql s ASP 40 CO -0.03 0.16 -0.17 -0.31 1.18 0.00 0.00 175.17 176.01 2hql s TYR 41 N -0.22 2.74 0.02 4.23 2.02 -1.26 0.13 117.35 125.01 2hql s TYR 41 Ca 0.03 -0.85 0.06 0.00 -0.37 0.00 0.00 57.07 55.94 2hql s TYR 41 Cb -0.07 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2hql s TYR 41 CO -0.00 -0.33 -0.19 0.71 -1.57 0.00 0.00 175.55 174.17 2hql s TYR 42 N 0.47 1.65 -0.19 2.71 2.02 -0.20 -4.95 117.35 118.85 2hql s TYR 42 Ca -0.12 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 2hql s TYR 42 Cb -0.16 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 2hql s TYR 42 CO 0.05 0.03 0.08 0.08 -1.57 0.00 0.00 175.55 174.22 2hql s VAL 43 N -0.63 4.85 0.07 0.71 1.01 -1.26 -0.19 120.40 124.96 2hql s VAL 43 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.10 2hql s VAL 43 Cb -0.08 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2hql s VAL 43 CO 0.01 0.44 -0.17 0.27 0.00 0.00 0.00 175.10 175.64 2hql s ILE 44 N 0.54 1.40 0.19 2.22 -4.36 0.01 -1.17 121.20 120.04 2hql s ILE 44 Ca 0.04 -1.33 -0.04 0.00 -0.26 0.00 0.00 60.65 59.06 2hql s ILE 44 Cb -0.13 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 2hql s ILE 44 CO 0.01 -0.07 0.20 -0.72 0.24 0.00 0.00 174.94 174.60 2hql s TYR 45 N -1.10 0.84 -0.00 1.37 1.13 -0.65 0.45 117.35 119.39 2hql s TYR 45 Ca 0.03 -1.14 -0.12 0.00 -1.41 0.00 0.00 57.07 54.43 2hql s TYR 45 Cb -0.09 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.44 2hql s TYR 45 CO 0.03 -0.69 0.24 0.00 -2.51 0.00 0.00 175.55 172.61 2hql s ALA 46 N -4.08 -0.57 0.53 9.51 0.00 -0.98 0.16 121.76 126.33 2hql s ALA 46 Ca 0.30 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2hql s ALA 46 Cb 0.05 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2hql s ALA 46 CO 0.08 -0.26 0.08 -0.80 0.00 0.00 0.00 175.76 174.86 2hql s ASN 47 N -1.45 4.26 0.24 0.00 0.01 -1.26 -2.18 114.94 114.56 2hql s ASN 47 Ca -0.13 -1.62 0.00 0.00 -0.71 0.00 0.00 52.86 50.40 2hql s ASN 47 Cb -0.06 0.65 0.00 0.00 0.41 0.00 0.00 41.25 42.25 2hql s ASN 47 CO 0.02 -0.97 0.00 0.61 -1.51 0.00 0.00 177.10 175.26 2hql n GLY 48 N -1.41 2.40 0.24 0.66 0.00 -1.26 -2.29 105.19 103.53 2hql n GLY 48 Ca -0.18 0.29 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2hql n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2hql h GLN 49 N 0.00 -0.52 -0.58 1.61 7.50 -2.00 -3.20 115.11 117.92 2hql h GLN 49 Ca 0.00 0.04 0.17 0.00 0.50 0.00 0.00 58.65 59.35 2hql h GLN 49 Cb 0.00 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 2hql h GLN 49 CO 0.00 -0.20 0.81 1.25 -1.50 0.00 0.00 178.83 179.19 2hql h LEU 50 N -0.93 0.00 0.00 1.46 7.12 -1.82 0.10 115.31 121.24 2hql h LEU 50 Ca -0.05 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 2hql h LEU 50 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 2hql h LEU 50 CO 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 178.44 178.40 2hql h ALA 51 N 0.92 -0.00 0.00 1.25 0.00 -1.48 0.31 119.26 120.26 2hql h ALA 51 Ca 0.28 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2hql h ALA 51 Cb 1.90 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2hql h ALA 51 CO -0.00 -0.30 -0.39 1.88 0.00 0.00 0.00 179.25 180.43 2hql h TYR 52 N -0.41 0.00 -0.15 0.00 0.05 -1.13 -1.39 116.97 113.93 2hql h TYR 52 Ca -0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 2hql h TYR 52 Cb 0.41 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.16 2hql h TYR 52 CO 0.07 0.39 -0.78 0.93 -1.05 0.00 0.00 178.16 177.72 2hql h GLU 53 N 0.00 0.78 -0.60 4.88 5.08 -1.35 -2.29 114.58 121.08 2hql h GLU 53 Ca -0.00 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 57.71 2hql h GLU 53 Cb 0.71 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2hql h GLU 53 CO 0.05 1.25 0.33 1.25 -1.00 0.00 0.00 179.01 180.89 2hql h LEU 54 N 0.53 0.75 -0.34 1.33 6.46 -0.05 -1.95 115.31 122.04 2hql h LEU 54 Ca -0.05 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 2hql h LEU 54 Cb 1.41 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 2hql h LEU 54 CO 0.16 0.62 0.08 -0.08 -0.62 0.00 0.00 178.44 178.60 2hql h GLU 55 N 0.81 0.54 0.00 1.25 4.81 -1.23 -2.29 114.58 118.48 2hql h GLU 55 Ca 0.21 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2hql h GLU 55 Cb 0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2hql h GLU 55 CO -0.03 0.59 -0.19 0.87 -0.73 0.00 0.00 179.01 179.52 2hql h LYS 56 N 0.39 0.00 -0.40 1.92 1.57 -1.29 0.92 116.57 119.68 2hql h LYS 56 Ca 0.11 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 2hql h LYS 56 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2hql h LYS 56 CO 0.00 0.19 -0.34 1.25 -0.57 0.00 0.00 179.45 179.98 2hql h HIS 57 N 0.00 1.09 -0.43 -1.35 2.76 -1.06 -2.90 115.15 113.27 2hql h HIS 57 Ca -0.00 -0.31 -0.07 0.00 -2.20 0.00 0.00 60.37 57.79 2hql h HIS 57 Cb 0.41 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 2hql h HIS 57 CO 0.00 1.13 -0.01 1.15 -1.30 0.00 0.00 177.93 178.89 2hql h THR 58 N 0.77 1.26 -0.35 6.26 2.02 -0.70 1.14 112.91 123.31 2hql h THR 58 Ca 0.07 -1.06 -0.70 0.00 0.77 0.00 0.00 66.41 65.50 2hql h THR 58 Cb 0.92 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 2hql h THR 58 CO 0.09 0.36 3.30 0.29 0.37 0.00 0.00 175.52 179.93 2hql n LYS 59 N -4.39 3.76 0.00 6.66 5.02 0.21 -3.32 118.16 126.10 2hql n LYS 59 Ca -0.00 -2.64 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 2hql n LYS 59 Cb 0.31 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 2hql n LYS 59 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2hql n LYS 60 N 3.61 0.00 -4.31 1.97 4.81 -1.16 -4.83 118.16 118.25 2hql n LYS 60 Ca 0.68 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.89 2hql n LYS 60 Cb 0.27 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.20 2hql n LYS 60 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hql s TYR 61 N 0.00 1.84 -0.11 5.64 2.02 0.39 -5.03 117.35 122.10 2hql s TYR 61 Ca 0.00 -0.43 0.15 0.00 -0.37 0.00 0.00 57.07 56.42 2hql s TYR 61 Cb 0.00 -0.97 -0.22 0.00 -0.40 0.00 0.00 41.96 40.37 2hql s TYR 61 CO 0.00 0.27 0.16 1.17 -1.57 0.00 0.00 175.55 175.57 2hql n LYS 62 N 0.77 1.13 -4.82 -0.62 4.81 -1.26 -4.45 118.16 113.72 2hql n LYS 62 Ca -0.17 -0.06 -0.27 0.00 -0.87 0.00 0.00 58.31 56.95 2hql n LYS 62 Cb 0.55 -1.40 -0.16 0.00 0.02 0.00 0.00 35.03 34.03 2hql n LYS 62 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2hql s THR 63 N -2.64 1.45 -0.01 3.15 -4.23 -1.26 0.78 115.64 112.88 2hql s THR 63 Ca -0.07 -0.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2hql s THR 63 Cb 0.07 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 2hql s THR 63 CO 0.66 0.42 -0.20 -0.51 -0.54 0.00 0.00 174.62 174.45 2hql s ILE 64 N 0.32 1.61 -0.08 2.99 2.07 -0.41 -4.91 121.20 122.79 2hql s ILE 64 Ca -0.11 -0.91 0.03 0.00 -1.41 0.00 0.00 60.65 58.26 2hql s ILE 64 Cb -0.14 -1.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.08 2hql s ILE 64 CO 0.04 0.43 -0.17 -0.55 -1.91 0.00 0.00 174.94 172.78 2hql s SER 65 N -0.56 3.76 0.33 4.50 0.15 -1.26 -0.47 113.70 120.15 2hql s SER 65 Ca 0.08 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.42 2hql s SER 65 Cb -0.08 -1.09 -0.01 0.00 -1.71 0.00 0.00 66.02 63.13 2hql s SER 65 CO -0.00 0.26 0.38 0.27 1.20 0.00 0.00 173.24 175.35 2hql s ILE 66 N -0.23 0.00 -0.01 6.45 -5.25 0.16 -1.36 121.20 120.95 2hql s ILE 66 Ca 0.00 -1.77 0.02 0.00 -0.99 0.00 0.00 60.65 57.91 2hql s ILE 66 Cb -0.13 -2.58 -0.00 0.00 2.95 0.00 0.00 42.46 42.70 2hql s ILE 66 CO 0.03 0.00 -0.08 -0.70 -1.79 0.00 0.00 174.94 172.40 2hql s GLU 67 N -3.25 0.72 0.00 0.37 2.12 0.98 -2.18 118.70 117.47 2hql s GLU 67 Ca 0.35 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.42 2hql s GLU 67 Cb 0.01 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.70 2hql s GLU 67 CO 0.23 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 2hql n GLY 68 N 3.11 2.82 3.01 -1.50 0.00 0.15 0.93 105.19 113.72 2hql n GLY 68 Ca -0.16 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 2hql n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hql s ILE 69 N -2.61 1.49 -0.05 -0.61 1.01 -0.35 -0.63 121.20 119.45 2hql s ILE 69 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 2hql s ILE 69 Cb 0.00 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2hql s ILE 69 CO 0.00 0.45 1.53 -0.22 0.00 0.00 0.00 174.94 176.69 2hql s LEU 70 N 1.47 4.30 0.00 2.97 2.96 -1.26 -1.01 118.68 128.11 2hql s LEU 70 Ca 0.04 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 2hql s LEU 70 Cb -0.13 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2hql s LEU 70 CO -0.10 -0.84 0.01 0.54 -1.32 0.00 0.00 176.35 174.64 2hql n ARG 71 N 6.49 0.79 -3.60 1.98 5.12 -0.36 -4.96 116.66 122.12 2hql n ARG 71 Ca 0.16 -3.64 -0.16 0.00 -1.93 0.00 0.00 57.85 52.28 2hql n ARG 71 Cb 0.43 0.96 -0.07 0.00 -1.16 0.00 0.00 32.46 32.62 2hql n ARG 71 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hql s THR 72 N -2.80 0.01 0.13 0.55 -4.23 -1.26 -2.71 115.64 105.32 2hql s THR 72 Ca 0.01 -0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.53 2hql s THR 72 Cb -0.00 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 2hql s THR 72 CO 0.01 -0.02 -0.13 -0.72 -0.54 0.00 0.00 174.62 173.21 2hql s TYR 73 N -0.50 1.36 0.41 3.99 1.13 -0.51 -4.93 117.35 118.30 2hql s TYR 73 Ca -0.06 -0.60 -0.01 0.00 -1.41 0.00 0.00 57.07 54.99 2hql s TYR 73 Cb -0.03 -0.70 -0.03 0.00 -1.10 0.00 0.00 41.96 40.11 2hql s TYR 73 CO 0.05 0.13 0.64 -1.17 -2.51 0.00 0.00 175.55 172.69 2hql s LEU 74 N -2.62 3.82 -0.09 -3.49 2.96 -1.26 0.18 118.68 118.18 2hql s LEU 74 Ca 0.10 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 2hql s LEU 74 Cb -0.03 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.26 2hql s LEU 74 CO 0.03 -0.47 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.78 2hql s GLU 75 N -4.49 1.71 0.14 1.98 2.12 -0.80 -4.89 118.70 114.47 2hql s GLU 75 Ca 0.44 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 55.09 2hql s GLU 75 Cb -0.10 -1.56 -0.06 0.00 0.26 0.00 0.00 34.13 32.67 2hql s GLU 75 CO 0.39 -0.11 1.56 0.00 -0.54 0.00 0.00 175.26 176.55 2hql h ARG 76 N 7.55 -0.36 0.00 4.30 2.47 -1.94 0.22 114.38 126.62 2hql h ARG 76 Ca -0.31 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2hql h ARG 76 Cb 1.16 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2hql h ARG 76 CO 0.45 -0.24 0.00 1.63 0.56 0.00 0.00 179.97 182.37 2hql n LYS 77 N -5.40 0.00 0.30 0.04 4.76 -1.26 -3.71 118.16 112.90 2hql n LYS 77 Ca -0.02 0.09 0.20 0.00 -2.87 0.00 0.00 58.31 55.70 2hql n LYS 77 Cb 0.35 -0.94 0.99 0.00 -1.84 0.00 0.00 35.03 33.59 2hql n LYS 77 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2hql h SER 78 N 0.00 0.00 -1.42 4.39 4.64 -2.03 -3.45 113.55 115.68 2hql h SER 78 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 2hql h SER 78 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2hql h SER 78 CO 0.00 0.00 -0.39 -0.62 -0.87 0.00 0.00 176.83 174.95 2hql n GLU 79 N -2.98 -1.36 -3.34 4.77 -0.58 0.77 -4.98 120.64 112.94 2hql n GLU 79 Ca -0.02 1.08 -0.30 0.00 -0.42 0.00 0.00 57.16 57.51 2hql n GLU 79 Cb 0.14 -5.45 -0.04 0.00 -0.57 0.00 0.00 31.44 25.53 2hql n GLU 79 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2hql s ILE 80 N -2.76 4.99 -0.34 -3.67 1.01 -1.24 -4.66 121.20 114.52 2hql s ILE 80 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.70 2hql s ILE 80 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 2hql s ILE 80 CO 0.00 -0.25 0.42 0.26 0.00 0.00 0.00 174.94 175.37 2hql s TRP 81 N -2.01 3.20 0.50 3.97 0.52 -1.26 -1.91 118.94 121.96 2hql s TRP 81 Ca 0.45 0.10 -0.10 0.00 0.02 0.00 0.00 56.10 56.57 2hql s TRP 81 Cb -0.11 -2.74 -0.05 0.00 -1.15 0.00 0.00 33.47 29.41 2hql s TRP 81 CO 0.27 -0.44 0.88 0.15 0.02 0.00 0.00 176.95 177.83 2hql s LYS 82 N 2.15 3.69 -0.09 4.98 -0.14 0.13 -4.81 119.74 125.64 2hql s LYS 82 Ca 0.14 0.55 -0.01 0.00 -1.36 0.00 0.00 55.97 55.30 2hql s LYS 82 Cb -0.16 -2.26 -0.03 0.00 -1.68 0.00 0.00 37.83 33.70 2hql s LYS 82 CO 0.12 -0.27 -0.06 0.99 -0.76 0.00 0.00 175.35 175.38 2hql s THR 83 N -2.73 3.78 0.06 2.17 2.01 -1.26 -1.43 115.64 118.24 2hql s THR 83 Ca 0.52 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 2hql s THR 83 Cb -0.10 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2hql s THR 83 CO 0.41 0.57 -0.04 0.42 -0.69 0.00 0.00 174.62 175.29 2hql s THR 84 N -0.48 0.31 -0.25 -0.82 -4.23 -1.10 -4.44 115.64 104.64 2hql s THR 84 Ca 0.07 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 2hql s THR 84 Cb -0.12 -1.50 0.05 0.00 1.34 0.00 0.00 72.50 72.27 2hql s THR 84 CO 0.02 -0.95 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.40 2hql s ILE 85 N -3.75 2.13 -0.63 2.99 1.01 -0.32 -1.22 121.20 121.41 2hql s ILE 85 Ca 0.07 -1.52 -0.27 0.00 0.00 0.00 0.00 60.65 58.93 2hql s ILE 85 Cb 0.07 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2hql s ILE 85 CO -0.09 0.05 1.68 -0.70 0.00 0.00 0.00 174.94 175.89 2hql s GLU 86 N 1.14 2.84 0.12 2.79 2.12 -0.18 -1.64 118.70 125.89 2hql s GLU 86 Ca -0.07 0.42 -0.32 0.00 0.36 0.00 0.00 54.97 55.36 2hql s GLU 86 Cb -0.19 -4.31 -0.12 0.00 0.26 0.00 0.00 34.13 29.77 2hql s GLU 86 CO -0.06 -2.50 1.78 -0.89 -0.54 0.00 0.00 175.26 173.05 2hql n ILE 87 N 6.99 0.27 -0.11 -3.70 5.41 0.12 -1.22 119.36 127.14 2hql n ILE 87 Ca 0.16 -0.05 -0.19 0.00 1.00 0.00 0.00 62.75 63.67 2hql n ILE 87 Cb 0.51 -1.97 -0.09 0.00 -0.71 0.00 0.00 39.64 37.37 2hql n ILE 87 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2hql n VAL 88 N 4.42 1.24 -3.88 1.39 0.31 0.27 -4.79 118.33 117.29 2hql n VAL 88 Ca 0.18 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 2hql n VAL 88 Cb 0.35 -1.48 -0.13 0.00 -0.91 0.00 0.00 33.84 31.67 2hql n VAL 88 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2hql s LYS 89 N -2.42 0.12 -0.37 5.55 2.20 -0.79 -4.97 119.74 119.05 2hql s LYS 89 Ca -0.30 -0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2hql s LYS 89 Cb 0.09 0.05 0.09 0.00 -1.51 0.00 0.00 37.83 36.55 2hql s LYS 89 CO 0.46 -0.02 0.14 0.42 -0.36 0.00 0.00 175.35 175.99 2hql s ILE 90 N -0.32 3.25 0.62 5.43 1.01 -1.26 -0.01 121.20 129.91 2hql s ILE 90 Ca -0.04 -1.80 -0.18 0.00 0.00 0.00 0.00 60.65 58.64 2hql s ILE 90 Cb -0.02 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 2hql s ILE 90 CO -0.00 -0.49 1.17 -0.36 0.00 0.00 0.00 174.94 175.26 2hql s PHE 91 N 1.19 2.43 0.27 3.97 0.08 -0.46 -4.96 117.98 120.50 2hql s PHE 91 Ca 0.04 1.54 -0.30 0.00 0.12 0.00 0.00 56.93 58.33 2hql s PHE 91 Cb -0.22 -3.39 -0.11 0.00 -0.57 0.00 0.00 43.02 38.73 2hql s PHE 91 CO -0.03 -2.06 1.63 1.21 -0.10 0.00 0.00 175.22 175.87 2hql s ASN 92 N -1.89 6.37 0.23 1.36 2.47 -1.26 -4.49 114.94 117.74 2hql s ASN 92 Ca 0.74 2.93 0.23 0.00 0.42 0.00 0.00 52.86 57.19 2hql s ASN 92 Cb -0.27 -2.63 0.95 0.00 -1.45 0.00 0.00 41.25 37.85 2hql s ASN 92 CO 0.35 -0.93 1.70 -0.81 -3.72 0.00 0.00 177.10 173.69 2hql n PRO 93 N 2.64 0.19 0.00 0.43 -0.04 -1.26 -1.70 135.00 135.25 2hql n PRO 93 Ca 0.10 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 2hql n PRO 93 Cb 0.37 -1.84 0.25 0.00 -0.04 0.00 0.00 33.50 32.24 2hql n PRO 93 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2hql n LYS 94 N -2.18 0.13 -4.63 0.54 4.81 -1.26 -4.90 118.16 110.67 2hql n LYS 94 Ca 0.02 -0.08 -0.34 0.00 -0.87 0.00 0.00 58.31 57.05 2hql n LYS 94 Cb 0.24 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 2hql n LYS 94 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2hql s ASN 95 N -2.92 4.62 -0.23 3.14 0.02 -0.69 -5.10 114.94 113.77 2hql s ASN 95 Ca 0.13 -0.03 -0.09 0.00 -1.02 0.00 0.00 52.86 51.84 2hql s ASN 95 Cb 0.18 -1.17 -0.04 0.00 0.02 0.00 0.00 41.25 40.23 2hql s ASN 95 CO 0.68 0.36 0.13 -0.70 0.02 0.00 0.00 177.10 177.58 2hql s GLU 96 N -0.77 3.96 0.00 -0.60 2.12 -1.26 -4.74 118.70 117.40 2hql s GLU 96 Ca 0.12 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.12 2hql s GLU 96 Cb -0.11 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.84 2hql s GLU 96 CO 0.01 0.03 0.07 -0.89 -0.54 0.00 0.00 175.26 173.95 2hql n ILE 97 N 4.33 0.00 -2.12 -3.70 2.08 -1.26 -4.99 119.36 113.70 2hql n ILE 97 Ca -0.15 0.34 -0.00 0.00 0.56 0.00 0.00 62.75 63.49 2hql n ILE 97 Cb 0.52 -0.88 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 2hql n ILE 97 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 2hql n VAL 98 N -1.24 -1.22 -2.58 1.39 3.14 -1.26 -4.99 118.33 111.57 2hql n VAL 98 Ca 0.00 0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.67 2hql n VAL 98 Cb 0.00 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 30.98 2hql n VAL 98 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2hql n ILE 99 N 0.95 0.00 -4.42 1.55 2.08 -1.26 -5.19 119.36 113.08 2hql n ILE 99 Ca -0.00 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 2hql n ILE 99 Cb 0.30 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.15 2hql n ILE 99 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2hql n ASP 100 N 0.00 2.08 -4.07 4.38 5.75 -1.26 -5.17 116.55 118.26 2hql n ASP 100 Ca 0.00 -2.44 -0.13 0.00 -0.01 0.00 0.00 54.79 52.21 2hql n ASP 100 Cb 0.00 0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 2hql n ASP 100 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2hql s TYR 101 N -2.37 0.71 -0.07 2.11 1.13 -1.26 -5.16 117.35 112.45 2hql s TYR 101 Ca 0.06 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 2hql s TYR 101 Cb 0.00 -0.42 0.02 0.00 -1.10 0.00 0.00 41.96 40.46 2hql s TYR 101 CO 0.05 -0.08 -0.05 0.21 -2.51 0.00 0.00 175.55 173.16 2hql s LYS 102 N -1.73 1.09 0.00 -3.49 2.20 -1.26 -5.10 119.74 111.44 2hql s LYS 102 Ca -0.08 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2hql s LYS 102 Cb -0.09 -1.15 0.00 0.00 -1.51 0.00 0.00 37.83 35.08 2hql s LYS 102 CO 0.00 -0.16 0.00 0.39 -0.36 0.00 0.00 175.35 175.22 2hql n GLU 103 N 4.50 0.00 -0.25 4.03 1.02 -1.26 -5.35 120.64 123.33 2hql n GLU 103 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2hql n GLU 103 Cb 0.51 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2hql n GLU 103 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42