#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 3.64 -2.66 -0.89 4.77 -1.26 -4.89 117.00 115.71 2hql n LEU 2 Ca 0.00 1.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.96 2hql n LEU 2 Cb 0.00 -1.47 0.05 0.00 -2.33 0.00 0.00 43.42 39.66 2hql n LEU 2 CO 0.00 -0.01 0.55 -3.20 -1.33 0.00 0.00 177.39 173.41 2hql n ASN 3 N 5.25 -1.20 -4.19 -1.43 2.85 -1.26 -5.12 115.26 110.16 2hql n ASN 3 Ca 0.19 -0.92 -0.33 0.00 -0.11 0.00 0.00 54.58 53.41 2hql n ASN 3 Cb 0.33 0.61 -0.16 0.00 1.24 0.00 0.00 39.78 41.80 2hql n ASN 3 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2hql s ARG 4 N 0.78 3.09 -0.17 1.20 1.81 -1.26 -4.64 118.95 119.76 2hql s ARG 4 Ca 0.23 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 2hql s ARG 4 Cb 0.16 -2.55 0.03 0.00 -0.45 0.00 0.00 34.95 32.14 2hql s ARG 4 CO -0.10 -0.06 -0.12 0.08 -0.68 0.00 0.00 175.30 174.41 2hql s VAL 5 N 0.95 1.57 -0.26 3.52 1.01 -0.93 -5.00 120.40 121.26 2hql s VAL 5 Ca -0.03 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2hql s VAL 5 Cb -0.15 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2hql s VAL 5 CO -0.04 0.35 -0.02 -0.36 0.00 0.00 0.00 175.10 175.03 2hql s PHE 6 N 1.46 3.10 -0.07 5.22 0.08 -1.26 0.26 117.98 126.77 2hql s PHE 6 Ca 0.03 -1.39 -0.09 0.00 0.12 0.00 0.00 56.93 55.60 2hql s PHE 6 Cb -0.14 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2hql s PHE 6 CO -0.10 -0.68 0.24 -1.17 -0.10 0.00 0.00 175.22 173.41 2hql s LEU 7 N 1.37 1.11 0.02 -0.37 2.96 -0.76 -4.98 118.68 118.03 2hql s LEU 7 Ca 0.01 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2hql s LEU 7 Cb -0.17 0.87 -0.02 0.00 0.50 0.00 0.00 46.19 47.38 2hql s LEU 7 CO -0.02 -0.17 -0.13 -1.83 -1.32 0.00 0.00 176.35 172.88 2hql s GLU 8 N -0.28 0.89 0.01 1.98 -1.05 -1.26 -0.41 118.70 118.58 2hql s GLU 8 Ca -0.04 -0.64 -0.29 0.00 -0.15 0.00 0.00 54.97 53.85 2hql s GLU 8 Cb -0.03 -0.87 0.10 0.00 -0.44 0.00 0.00 34.13 32.89 2hql s GLU 8 CO 0.01 0.22 0.91 0.20 0.95 0.00 0.00 175.26 177.55 2hql s GLY 9 N -0.90 -0.43 0.20 -3.83 0.00 -0.20 -4.84 107.32 97.32 2hql s GLY 9 Ca 0.02 0.92 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 2hql s GLY 9 CO 0.01 0.30 1.11 1.85 0.00 0.00 0.00 173.10 176.36 2hql s GLU 10 N -3.11 4.59 0.30 2.90 2.12 -0.76 -1.61 118.70 123.13 2hql s GLU 10 Ca 0.06 1.75 -0.29 0.00 0.36 0.00 0.00 54.97 56.85 2hql s GLU 10 Cb -0.01 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 31.03 2hql s GLU 10 CO -0.07 0.09 1.33 0.42 -0.54 0.00 0.00 175.26 176.48 2hql s ILE 11 N -0.41 2.78 -0.11 -3.70 1.09 -0.68 -1.83 121.20 118.33 2hql s ILE 11 Ca 0.49 0.73 -0.07 0.00 -1.10 0.00 0.00 60.65 60.70 2hql s ILE 11 Cb -0.30 -3.47 -0.05 0.00 -1.06 0.00 0.00 42.46 37.58 2hql s ILE 11 CO 0.36 0.15 -0.17 1.21 -0.10 0.00 0.00 174.94 176.40 2hql n GLU 12 N 1.35 0.27 -2.40 2.79 4.07 0.01 -4.93 120.64 121.80 2hql n GLU 12 Ca 0.02 0.12 -0.05 0.00 -0.06 0.00 0.00 57.16 57.19 2hql n GLU 12 Cb 0.42 -0.96 0.01 0.00 -0.06 0.00 0.00 31.44 30.86 2hql n GLU 12 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2hql n SER 13 N -3.67 -1.17 -3.58 4.31 3.41 -1.20 -5.00 113.62 106.72 2hql n SER 13 Ca -0.21 -1.81 -0.05 0.00 -0.26 0.00 0.00 58.87 56.54 2hql n SER 13 Cb 0.58 1.94 -0.02 0.00 -0.26 0.00 0.00 64.21 66.45 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 -2.05 -0.18 -0.06 4.04 1.04 -1.26 -1.58 113.70 113.66 2hql s SER 14 Ca 0.08 0.00 -0.31 0.00 0.48 0.00 0.00 55.95 56.20 2hql s SER 14 Cb -0.03 0.19 0.11 0.00 0.10 0.00 0.00 66.02 66.40 2hql s SER 14 CO 0.06 -0.31 1.06 0.00 0.98 0.00 0.00 173.24 175.04 2hql s TRP 16 N -2.79 3.46 1.23 0.00 0.52 -1.26 0.47 118.94 120.57 2hql s TRP 16 Ca 0.08 0.61 -0.15 0.00 0.02 0.00 0.00 56.10 56.67 2hql s TRP 16 Cb -0.00 -2.05 0.31 0.00 -1.15 0.00 0.00 33.47 30.57 2hql s TRP 16 CO -0.06 0.39 1.01 -1.54 0.02 0.00 0.00 176.95 176.77 2hql s SER 17 N -2.49 0.50 0.43 2.95 1.04 -0.09 -4.79 113.70 111.24 2hql s SER 17 Ca 0.42 1.33 0.10 0.00 0.48 0.00 0.00 55.95 58.29 2hql s SER 17 Cb -0.12 -2.05 0.94 0.00 0.10 0.00 0.00 66.02 64.90 2hql s SER 17 CO 0.24 -4.47 2.04 0.58 0.98 0.00 0.00 173.24 172.61 2hql h VAL 18 N -2.81 1.03 -0.54 5.02 2.07 -1.98 -1.49 116.25 117.55 2hql h VAL 18 Ca -0.59 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 2hql h VAL 18 Cb 1.34 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2hql h VAL 18 CO 0.47 0.09 0.07 1.17 0.02 0.00 0.00 177.57 179.39 2hql n LYS 19 N -4.48 4.00 -1.99 1.57 4.81 -1.26 -4.91 118.16 115.89 2hql n LYS 19 Ca 0.05 -3.08 -0.06 0.00 -0.87 0.00 0.00 58.31 54.35 2hql n LYS 19 Cb 0.16 -2.14 -0.01 0.00 0.02 0.00 0.00 35.03 33.06 2hql n LYS 19 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2hql n LYS 20 N 0.06 -2.07 -0.01 1.64 4.76 -0.56 -4.76 118.16 117.22 2hql n LYS 20 Ca 0.30 0.31 -0.08 0.00 -2.87 0.00 0.00 58.31 55.98 2hql n LYS 20 Cb 1.18 -4.70 0.09 0.00 -1.84 0.00 0.00 35.03 29.76 2hql n LYS 20 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2hql h THR 21 N 0.00 1.30 -3.66 -0.18 2.02 -1.91 -3.46 112.91 107.02 2hql h THR 21 Ca -0.14 -1.61 -0.07 0.00 0.77 0.00 0.00 66.41 65.36 2hql h THR 21 Cb 0.84 1.59 -0.13 0.00 -1.74 0.00 0.00 68.15 68.72 2hql h THR 21 CO 0.17 0.51 -0.22 -0.83 0.37 0.00 0.00 175.52 175.52 2hql s GLY 22 N -4.06 0.09 -0.28 2.16 0.00 -1.26 -3.72 107.32 100.25 2hql s GLY 22 Ca -0.07 -0.50 -0.07 0.00 0.00 0.00 0.00 44.72 44.07 2hql s GLY 22 CO 0.83 -0.61 0.08 -0.12 0.00 0.00 0.00 173.10 173.28 2hql s PHE 23 N -3.88 3.12 -0.17 1.90 5.36 -0.86 -0.91 117.98 122.53 2hql s PHE 23 Ca 0.09 -0.71 -0.11 0.00 -0.96 0.00 0.00 56.93 55.24 2hql s PHE 23 Cb 0.03 -2.26 -0.05 0.00 -0.34 0.00 0.00 43.02 40.40 2hql s PHE 23 CO -0.07 -0.48 0.20 -0.51 -1.46 0.00 0.00 175.22 172.90 2hql s LEU 24 N 1.56 4.25 -0.07 6.12 1.02 0.18 -2.98 118.68 128.75 2hql s LEU 24 Ca 0.05 0.37 0.04 0.00 0.02 0.00 0.00 54.13 54.61 2hql s LEU 24 Cb -0.16 -2.20 -0.00 0.00 0.02 0.00 0.00 46.19 43.84 2hql s LEU 24 CO 0.03 0.18 -0.21 -0.69 0.02 0.00 0.00 176.35 175.68 2hql s VAL 25 N 0.23 1.76 -0.31 -1.59 1.01 -0.00 -0.76 120.40 120.75 2hql s VAL 25 Ca 0.12 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2hql s VAL 25 Cb -0.12 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2hql s VAL 25 CO 0.01 0.50 0.37 -0.89 0.00 0.00 0.00 175.10 175.08 2hql s THR 26 N 0.22 5.17 0.20 3.92 2.01 -0.61 -0.87 115.64 125.68 2hql s THR 26 Ca -0.11 0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.25 2hql s THR 26 Cb -0.15 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2hql s THR 26 CO 0.05 0.03 0.22 -0.63 -0.69 0.00 0.00 174.62 173.60 2hql s ILE 27 N 2.05 4.75 0.03 1.82 1.09 0.24 -0.81 121.20 130.37 2hql s ILE 27 Ca 0.13 -1.10 -0.07 0.00 -1.10 0.00 0.00 60.65 58.51 2hql s ILE 27 Cb -0.16 -3.50 -0.00 0.00 -1.06 0.00 0.00 42.46 37.74 2hql s ILE 27 CO 0.11 -0.21 0.14 -1.59 -0.10 0.00 0.00 174.94 173.29 2hql s LYS 28 N -3.49 0.62 -0.02 2.79 -2.85 -0.76 -0.26 119.74 115.76 2hql s LYS 28 Ca 0.33 -0.65 0.02 0.00 -1.00 0.00 0.00 55.97 54.67 2hql s LYS 28 Cb -0.09 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2hql s LYS 28 CO 0.26 -0.16 -0.08 -0.65 0.10 0.00 0.00 175.35 174.81 2hql s GLN 29 N -2.40 0.81 -0.09 1.78 -0.21 -0.80 -1.83 119.66 116.92 2hql s GLN 29 Ca -0.07 -0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.09 2hql s GLN 29 Cb -0.02 -0.78 -0.01 0.00 1.00 0.00 0.00 33.01 33.20 2hql s GLN 29 CO -0.03 0.11 -0.22 -1.64 -2.12 0.00 0.00 175.29 171.38 2hql s MET 30 N 0.15 2.90 0.09 2.91 -1.94 -1.26 -0.61 119.30 121.54 2hql s MET 30 Ca -0.02 -0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 52.98 2hql s MET 30 Cb -0.07 -2.30 0.02 0.00 2.01 0.00 0.00 34.83 34.48 2hql s MET 30 CO 0.00 0.28 0.29 0.50 -0.01 0.00 0.00 175.02 176.08 2hql s ARG 31 N 0.11 0.92 -0.19 2.03 6.06 -0.61 -4.96 118.95 122.32 2hql s ARG 31 Ca -0.11 -0.78 -0.10 0.00 -2.50 0.00 0.00 55.73 52.25 2hql s ARG 31 Cb -0.16 0.39 -0.05 0.00 0.06 0.00 0.00 34.95 35.20 2hql s ARG 31 CO 0.06 -0.32 0.13 -0.59 -2.50 0.00 0.00 175.30 172.08 2hql s PHE 32 N -3.59 3.42 -0.44 5.12 -0.71 -1.26 0.48 117.98 120.99 2hql s PHE 32 Ca 0.02 0.33 0.02 0.00 -1.04 0.00 0.00 56.93 56.27 2hql s PHE 32 Cb 0.03 -2.13 0.15 0.00 -1.21 0.00 0.00 43.02 39.85 2hql s PHE 32 CO -0.10 0.32 0.28 -0.06 -1.34 0.00 0.00 175.22 174.32 2hql s PHE 33 N 0.23 1.60 0.00 3.49 0.08 -1.26 -4.82 117.98 117.29 2hql s PHE 33 Ca 0.08 -2.28 0.00 0.00 0.12 0.00 0.00 56.93 54.85 2hql s PHE 33 Cb -0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 2hql s PHE 33 CO -0.01 -0.78 0.00 0.41 -0.10 0.00 0.00 175.22 174.74 2hql n GLY 34 N 3.35 1.36 2.50 4.36 0.00 -1.26 -2.11 105.19 113.39 2hql n GLY 34 Ca 0.16 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.91 0.00 1.61 1.02 -1.26 -4.85 120.64 121.07 2hql n GLU 35 Ca 0.00 -3.17 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 2hql n GLU 35 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 2hql n GLU 35 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2hql n ARG 36 N 1.32 3.82 -2.37 3.49 -4.01 -0.90 -5.04 116.66 112.97 2hql n ARG 36 Ca 0.57 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 57.36 2hql n ARG 36 Cb 0.35 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 29.74 2hql n ARG 36 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2hql n LEU 37 N 0.00 -5.77 -3.98 2.89 7.94 -0.99 -4.75 117.00 112.34 2hql n LEU 37 Ca 0.00 1.49 -0.29 0.00 -1.11 0.00 0.00 56.01 56.10 2hql n LEU 37 Cb 0.00 -2.77 -0.17 0.00 0.53 0.00 0.00 43.42 41.01 2hql n LEU 37 CO 0.00 -2.84 -0.47 -0.36 -1.11 0.00 0.00 177.39 172.61 2hql s PHE 38 N -0.82 1.99 -0.20 1.96 0.08 0.18 -4.94 117.98 116.21 2hql s PHE 38 Ca -0.13 -1.13 -0.06 0.00 0.12 0.00 0.00 56.93 55.72 2hql s PHE 38 Cb 0.01 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 2hql s PHE 38 CO 0.61 -0.63 0.04 -0.08 -0.10 0.00 0.00 175.22 175.05 2hql s THR 39 N 1.54 4.37 -0.08 0.64 -1.32 -1.26 -1.57 115.64 117.97 2hql s THR 39 Ca 0.04 -0.17 -0.05 0.00 -1.21 0.00 0.00 61.69 60.30 2hql s THR 39 Cb -0.13 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2hql s THR 39 CO -0.10 0.42 0.12 -1.81 -2.21 0.00 0.00 174.62 171.04 2hql s ASP 40 N 0.90 6.13 -0.20 8.08 1.01 0.22 -4.94 116.67 127.87 2hql s ASP 40 Ca 0.03 0.36 -0.00 0.00 0.71 0.00 0.00 52.55 53.65 2hql s ASP 40 Cb -0.14 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.89 2hql s ASP 40 CO 0.02 0.36 -0.15 -0.31 0.21 0.00 0.00 175.17 175.31 2hql s TYR 41 N -1.08 2.86 -0.09 4.23 2.02 -1.26 -1.91 117.35 122.12 2hql s TYR 41 Ca 0.18 -1.50 0.03 0.00 -0.37 0.00 0.00 57.07 55.41 2hql s TYR 41 Cb -0.12 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2hql s TYR 41 CO 0.07 -0.75 -0.18 0.71 -1.57 0.00 0.00 175.55 173.84 2hql s TYR 42 N 1.33 2.65 -0.27 2.71 2.02 0.65 -4.95 117.35 121.49 2hql s TYR 42 Ca 0.04 -0.59 -0.09 0.00 -0.37 0.00 0.00 57.07 56.06 2hql s TYR 42 Cb -0.14 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2hql s TYR 42 CO -0.10 -0.14 0.12 0.08 -1.57 0.00 0.00 175.55 173.94 2hql s VAL 43 N -0.06 4.64 0.24 0.71 1.01 -1.26 0.82 120.40 126.50 2hql s VAL 43 Ca -0.04 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2hql s VAL 43 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2hql s VAL 43 CO 0.04 0.24 0.05 0.27 0.00 0.00 0.00 175.10 175.71 2hql s ILE 44 N 1.65 3.79 0.17 2.22 -4.36 -0.05 -0.67 121.20 123.97 2hql s ILE 44 Ca 0.06 -1.66 -0.20 0.00 -0.26 0.00 0.00 60.65 58.59 2hql s ILE 44 Cb -0.16 -3.01 0.05 0.00 1.25 0.00 0.00 42.46 40.59 2hql s ILE 44 CO 0.06 -0.31 0.56 -0.72 0.24 0.00 0.00 174.94 174.77 2hql s TYR 45 N -2.13 -0.35 -0.06 1.37 1.13 -0.92 -0.82 117.35 115.57 2hql s TYR 45 Ca 0.31 0.07 -0.05 0.00 -1.41 0.00 0.00 57.07 55.99 2hql s TYR 45 Cb -0.07 0.48 0.02 0.00 -1.10 0.00 0.00 41.96 41.29 2hql s TYR 45 CO 0.21 -0.88 0.15 0.00 -2.51 0.00 0.00 175.55 172.52 2hql s ALA 46 N -3.80 -0.36 0.53 9.51 0.00 -1.16 0.48 121.76 126.96 2hql s ALA 46 Ca 0.04 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.54 2hql s ALA 46 Cb -0.01 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2hql s ALA 46 CO -0.09 -0.09 0.53 -0.80 0.00 0.00 0.00 175.76 175.32 2hql s ASN 47 N 0.27 4.89 1.75 0.00 0.01 -1.26 -2.04 114.94 118.56 2hql s ASN 47 Ca -0.02 -1.00 0.00 0.00 -0.71 0.00 0.00 52.86 51.14 2hql s ASN 47 Cb -0.03 0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.80 2hql s ASN 47 CO -0.01 -1.09 0.00 0.61 -1.51 0.00 0.00 177.10 175.10 2hql n GLY 48 N -1.89 3.48 0.14 0.66 0.00 -1.24 -2.78 105.19 103.56 2hql n GLY 48 Ca 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2hql n GLY 48 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2hql h GLN 49 N 0.00 0.28 0.00 1.61 4.15 -1.96 -3.15 115.11 116.04 2hql h GLN 49 Ca 0.00 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.08 2hql h GLN 49 Cb 0.00 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 2hql h GLN 49 CO 0.00 1.03 -0.10 1.25 -1.93 0.00 0.00 178.83 179.08 2hql h LEU 50 N 0.15 0.00 -0.46 -2.39 5.85 -1.88 -2.88 115.31 113.69 2hql h LEU 50 Ca -0.06 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2hql h LEU 50 Cb 1.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2hql h LEU 50 CO 0.15 0.10 0.28 0.00 -0.34 0.00 0.00 178.44 178.63 2hql h ALA 51 N 1.90 0.59 0.00 1.25 0.00 -1.47 0.32 119.26 121.85 2hql h ALA 51 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2hql h ALA 51 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2hql h ALA 51 CO 0.01 -0.03 -0.34 1.88 0.00 0.00 0.00 179.25 180.77 2hql h TYR 52 N 0.56 0.00 -0.20 0.00 0.05 -1.67 -0.18 116.97 115.53 2hql h TYR 52 Ca 0.18 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 2hql h TYR 52 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 2hql h TYR 52 CO -0.07 0.34 -0.36 0.93 -1.05 0.00 0.00 178.16 177.96 2hql h GLU 53 N 0.00 0.60 0.16 4.88 5.08 -1.29 -1.95 114.58 122.05 2hql h GLU 53 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2hql h GLU 53 Cb 0.99 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2hql h GLU 53 CO 0.04 0.99 -0.16 1.25 -1.00 0.00 0.00 179.01 180.13 2hql h LEU 54 N 0.27 -0.42 -0.67 1.33 6.46 -0.05 -0.66 115.31 121.57 2hql h LEU 54 Ca 0.01 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 57.92 2hql h LEU 54 Cb 0.96 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.95 2hql h LEU 54 CO 0.08 -0.24 0.27 -0.08 -0.62 0.00 0.00 178.44 177.85 2hql h GLU 55 N -0.35 0.44 0.35 1.25 4.81 -1.02 -2.03 114.58 118.03 2hql h GLU 55 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2hql h GLU 55 Cb 0.33 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2hql h GLU 55 CO -0.04 0.29 -0.17 0.87 -0.73 0.00 0.00 179.01 179.24 2hql h LYS 56 N 0.46 -0.45 -0.84 1.92 1.57 -0.94 -2.91 116.57 115.38 2hql h LYS 56 Ca 0.35 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.35 2hql h LYS 56 Cb 0.45 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 2hql h LYS 56 CO -0.33 -0.26 0.34 1.25 -0.57 0.00 0.00 179.45 179.88 2hql h HIS 57 N -0.53 0.56 0.00 -1.35 2.76 -0.78 0.62 115.15 116.42 2hql h HIS 57 Ca -0.05 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2hql h HIS 57 Cb 0.40 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2hql h HIS 57 CO -0.04 -0.02 0.00 -2.37 -1.30 0.00 0.00 177.93 174.21 2hql n THR 58 N -5.05 1.83 0.68 6.26 5.66 -0.79 -1.22 114.28 121.65 2hql n THR 58 Ca 0.19 0.48 0.08 0.00 -3.05 0.00 0.00 64.05 61.75 2hql n THR 58 Cb 0.56 -1.46 0.05 0.00 -1.55 0.00 0.00 70.33 67.93 2hql n THR 58 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2hql n LYS 59 N -1.55 1.34 0.00 1.09 5.02 0.22 -4.45 118.16 119.83 2hql n LYS 59 Ca 0.00 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 2hql n LYS 59 Cb 0.02 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2hql n LYS 59 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2hql n LYS 60 N 0.72 2.01 -3.93 1.97 2.85 -0.35 -5.07 118.16 116.36 2hql n LYS 60 Ca 0.09 -0.22 -0.10 0.00 -1.05 0.00 0.00 58.31 57.03 2hql n LYS 60 Cb 0.39 -0.68 -0.10 0.00 -0.65 0.00 0.00 35.03 33.99 2hql n LYS 60 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2hql s TYR 61 N -0.35 0.18 -1.08 5.58 2.02 -0.79 -5.02 117.35 117.89 2hql s TYR 61 Ca 0.00 -0.42 0.14 0.00 -0.37 0.00 0.00 57.07 56.42 2hql s TYR 61 Cb 0.00 -0.14 0.41 0.00 -0.40 0.00 0.00 41.96 41.84 2hql s TYR 61 CO 0.00 -0.30 1.34 1.17 -1.57 0.00 0.00 175.55 176.20 2hql n LYS 62 N 1.16 2.90 -3.76 -0.62 4.81 -1.26 -4.69 118.16 116.71 2hql n LYS 62 Ca -0.21 -2.28 -0.13 0.00 -0.87 0.00 0.00 58.31 54.82 2hql n LYS 62 Cb 0.57 -1.41 -0.10 0.00 0.02 0.00 0.00 35.03 34.11 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 -1.19 0.03 0.02 3.15 -4.23 -1.26 -1.69 115.64 110.46 2hql s THR 63 Ca 0.31 -0.24 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2hql s THR 63 Cb 0.18 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.46 2hql s THR 63 CO 0.19 -0.13 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.61 2hql s ILE 64 N -0.56 0.09 -0.05 2.99 2.07 -0.63 -4.93 121.20 120.17 2hql s ILE 64 Ca -0.07 -0.73 0.03 0.00 -1.41 0.00 0.00 60.65 58.47 2hql s ILE 64 Cb -0.04 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.33 2hql s ILE 64 CO 0.02 -0.40 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.08 2hql s SER 65 N -1.19 1.82 0.17 4.50 0.01 -1.26 -1.04 113.70 116.71 2hql s SER 65 Ca -0.13 -0.30 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 2hql s SER 65 Cb -0.08 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 2hql s SER 65 CO -0.01 0.08 0.12 0.27 0.41 0.00 0.00 173.24 174.11 2hql s ILE 66 N 0.38 0.05 -0.23 1.44 -5.25 0.46 0.06 121.20 118.10 2hql s ILE 66 Ca -0.09 -1.89 0.00 0.00 -0.99 0.00 0.00 60.65 57.68 2hql s ILE 66 Cb -0.13 -2.23 0.03 0.00 2.95 0.00 0.00 42.46 43.08 2hql s ILE 66 CO 0.03 -0.23 -0.11 -0.70 -1.79 0.00 0.00 174.94 172.13 2hql s GLU 67 N -4.09 2.69 0.00 0.37 2.12 -0.02 -1.84 118.70 117.94 2hql s GLU 67 Ca 0.30 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.58 2hql s GLU 67 Cb 0.07 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.61 2hql s GLU 67 CO 0.06 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 2hql n GLY 68 N 4.59 4.57 2.80 -1.50 0.00 0.14 -0.31 105.19 115.47 2hql n GLY 68 Ca -0.17 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.23 0.24 0.42 -0.61 1.01 0.83 -2.20 121.20 119.67 2hql s ILE 69 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 60.65 60.50 2hql s ILE 69 Cb 0.00 -0.37 -0.09 0.00 0.01 0.00 0.00 42.46 42.01 2hql s ILE 69 CO 0.00 0.19 1.39 -0.76 0.00 0.00 0.00 174.94 175.77 2hql s LEU 70 N 1.43 4.18 0.14 2.97 1.43 -1.26 -1.24 118.68 126.33 2hql s LEU 70 Ca -0.04 2.85 -0.14 0.00 -1.03 0.00 0.00 54.13 55.77 2hql s LEU 70 Cb -0.13 -3.88 0.02 0.00 0.03 0.00 0.00 46.19 42.23 2hql s LEU 70 CO -0.03 -1.01 0.36 -0.13 0.23 0.00 0.00 176.35 175.78 2hql s ARG 71 N -2.31 1.10 0.15 1.70 1.81 -0.61 -4.88 118.95 115.91 2hql s ARG 71 Ca 0.58 -0.86 0.00 0.00 -1.72 0.00 0.00 55.73 53.73 2hql s ARG 71 Cb -0.42 0.44 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 2hql s ARG 71 CO 0.55 -0.42 0.04 0.95 -0.68 0.00 0.00 175.30 175.74 2hql s THR 72 N -3.85 0.31 0.00 0.02 -4.23 -1.26 -1.43 115.64 105.20 2hql s THR 72 Ca 0.07 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2hql s THR 72 Cb 0.02 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2hql s THR 72 CO -0.08 -0.42 0.00 0.00 -0.54 0.00 0.00 174.62 173.58 2hql n TYR 73 N -0.17 0.00 0.00 3.99 4.11 -0.89 -4.95 117.16 119.25 2hql n TYR 73 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 2hql n TYR 73 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 2hql n TYR 73 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30 2hql n ILE 80 N 0.00 0.00 -3.69 -3.48 -5.35 -1.26 -2.18 119.36 103.40 2hql n ILE 80 Ca 0.00 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.11 2hql n ILE 80 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.84 2hql n ILE 80 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 2hql s TRP 81 N -0.42 3.64 0.11 4.28 0.52 -1.26 -5.09 118.94 120.73 2hql s TRP 81 Ca 0.00 0.73 0.06 0.00 0.02 0.00 0.00 56.10 56.91 2hql s TRP 81 Cb 0.00 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 2hql s TRP 81 CO 0.00 0.66 -0.14 0.15 0.02 0.00 0.00 176.95 177.64 2hql s LYS 82 N -1.27 0.99 -0.17 4.98 1.02 -0.93 -5.13 119.74 119.24 2hql s LYS 82 Ca 0.22 -1.19 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 2hql s LYS 82 Cb -0.14 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 2hql s LYS 82 CO 0.11 0.18 0.00 0.99 -0.92 0.00 0.00 175.35 175.71 2hql s THR 83 N -1.96 4.17 0.14 2.17 2.01 -1.26 -2.09 115.64 118.82 2hql s THR 83 Ca 0.07 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.85 2hql s THR 83 Cb -0.06 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2hql s THR 83 CO 0.03 0.47 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.47 2hql s THR 84 N 0.51 0.95 -0.41 -0.82 2.01 -0.51 -4.67 115.64 112.69 2hql s THR 84 Ca -0.01 -2.01 -0.06 0.00 0.31 0.00 0.00 61.69 59.92 2hql s THR 84 Cb -0.14 -1.86 0.09 0.00 0.01 0.00 0.00 72.50 70.61 2hql s THR 84 CO 0.02 -0.73 0.23 -0.63 -0.69 0.00 0.00 174.62 172.82 2hql s ILE 85 N -3.47 3.77 -0.01 1.82 1.01 0.16 -1.57 121.20 122.91 2hql s ILE 85 Ca 0.17 -1.70 -0.30 0.00 0.00 0.00 0.00 60.65 58.82 2hql s ILE 85 Cb 0.04 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 2hql s ILE 85 CO -0.00 -0.58 1.81 -0.70 0.00 0.00 0.00 174.94 175.46 2hql s GLU 86 N 1.30 4.16 -0.13 2.79 2.12 -0.37 -2.17 118.70 126.40 2hql s GLU 86 Ca 0.04 2.40 -0.29 0.00 0.36 0.00 0.00 54.97 57.48 2hql s GLU 86 Cb -0.23 -4.06 -0.01 0.00 0.26 0.00 0.00 34.13 30.08 2hql s GLU 86 CO -0.01 -0.90 1.15 0.42 -0.54 0.00 0.00 175.26 175.39 2hql s ILE 87 N 4.20 4.44 -0.03 -3.70 1.01 0.18 -0.12 121.20 127.17 2hql s ILE 87 Ca 0.81 1.74 0.17 0.00 0.00 0.00 0.00 60.65 63.37 2hql s ILE 87 Cb -0.38 -4.12 -0.26 0.00 0.01 0.00 0.00 42.46 37.71 2hql s ILE 87 CO 0.35 -0.07 0.35 0.52 0.00 0.00 0.00 174.94 176.09 2hql n VAL 88 N 4.96 0.09 -3.64 2.92 0.31 0.57 -4.80 118.33 118.75 2hql n VAL 88 Ca 0.12 -0.42 -0.07 0.00 -0.01 0.00 0.00 64.34 63.96 2hql n VAL 88 Cb 0.46 0.05 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 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 -3.12 0.66 -0.39 5.55 2.20 -0.72 -4.98 119.74 118.94 2hql s LYS 89 Ca -0.06 1.06 -0.14 0.00 -0.36 0.00 0.00 55.97 56.47 2hql s LYS 89 Cb 0.10 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 2hql s LYS 89 CO 0.71 -0.13 0.28 0.42 -0.36 0.00 0.00 175.35 176.27 2hql s ILE 90 N 1.32 5.15 0.58 5.43 1.01 -1.26 -0.84 121.20 132.58 2hql s ILE 90 Ca -0.08 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 2hql s ILE 90 Cb -0.05 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2hql s ILE 90 CO -0.15 -0.25 1.17 -0.36 0.00 0.00 0.00 174.94 175.35 2hql s PHE 91 N 1.67 2.51 -0.33 3.97 0.08 0.11 -4.96 117.98 121.03 2hql s PHE 91 Ca 0.05 1.53 -0.29 0.00 0.12 0.00 0.00 56.93 58.34 2hql s PHE 91 Cb -0.19 -3.39 0.01 0.00 -0.57 0.00 0.00 43.02 38.89 2hql s PHE 91 CO 0.09 -1.93 1.14 1.21 -0.10 0.00 0.00 175.22 175.63 2hql s ASN 92 N -1.73 6.84 0.41 1.36 3.84 -1.26 -4.53 114.94 119.87 2hql s ASN 92 Ca 0.75 1.02 0.14 0.00 0.21 0.00 0.00 52.86 54.98 2hql s ASN 92 Cb -0.27 -2.54 0.75 0.00 -0.55 0.00 0.00 41.25 38.63 2hql s ASN 92 CO 0.31 -0.97 1.33 1.55 -2.79 0.00 0.00 177.10 176.53 2hql h PRO 93 N 8.50 0.00 -0.66 0.43 0.13 -1.93 0.09 132.00 138.56 2hql h PRO 93 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2hql h PRO 93 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2hql h PRO 93 CO 1.04 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.98 2hql n LYS 94 N -2.20 1.10 -4.15 0.86 3.00 -1.26 -4.87 118.16 110.64 2hql n LYS 94 Ca -0.01 -0.09 -0.10 0.00 -0.00 0.00 0.00 58.31 58.11 2hql n LYS 94 Cb 0.43 -1.35 -0.10 0.00 0.00 0.00 0.00 35.03 34.01 2hql n LYS 94 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2hql s ASN 95 N -0.36 1.00 -0.80 3.14 0.02 0.02 -5.09 114.94 112.87 2hql s ASN 95 Ca 0.02 -0.99 -0.05 0.00 -1.02 0.00 0.00 52.86 50.81 2hql s ASN 95 Cb 0.01 0.11 0.20 0.00 0.02 0.00 0.00 41.25 41.60 2hql s ASN 95 CO 0.01 -0.48 0.68 -1.61 0.02 0.00 0.00 177.10 175.72 2hql s GLU 96 N -3.78 3.18 0.00 -0.60 0.41 -1.26 -4.99 118.70 111.66 2hql s GLU 96 Ca 0.10 -2.83 0.00 0.00 -0.41 0.00 0.00 54.97 51.84 2hql s GLU 96 Cb 0.05 -4.03 0.00 0.00 -1.78 0.00 0.00 34.13 28.37 2hql s GLU 96 CO -0.06 -1.23 0.48 -0.89 -0.49 0.00 0.00 175.26 173.07