#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 0.28 -3.15 -0.89 7.94 -1.26 -4.94 117.00 114.98 2hql n LEU 2 Ca 0.00 1.16 0.04 0.00 -1.11 0.00 0.00 56.01 56.10 2hql n LEU 2 Cb 0.00 -0.93 -0.01 0.00 0.53 0.00 0.00 43.42 43.01 2hql n LEU 2 CO 0.00 -1.69 0.23 0.21 -1.11 0.00 0.00 177.39 175.03 2hql s ASN 3 N 0.50 -1.25 -0.03 1.96 3.84 -1.26 -5.11 114.94 113.60 2hql s ASN 3 Ca 0.93 0.56 -0.01 0.00 0.21 0.00 0.00 52.86 54.55 2hql s ASN 3 Cb -1.29 1.96 0.02 0.00 -0.55 0.00 0.00 41.25 41.39 2hql s ASN 3 CO 0.60 -0.23 0.05 -0.13 -2.79 0.00 0.00 177.10 174.61 2hql s ARG 4 N 2.87 0.02 -0.03 0.43 1.81 -1.26 -4.77 118.95 118.02 2hql s ARG 4 Ca 0.15 0.17 0.04 0.00 -1.72 0.00 0.00 55.73 54.38 2hql s ARG 4 Cb -0.12 -0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.23 2hql s ARG 4 CO -0.21 -0.11 -0.16 0.08 -0.68 0.00 0.00 175.30 174.22 2hql s VAL 5 N 0.71 1.31 -0.13 3.52 1.01 -0.73 -4.92 120.40 121.16 2hql s VAL 5 Ca -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2hql s VAL 5 Cb -0.08 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.22 2hql s VAL 5 CO -0.02 0.38 -0.06 -0.36 0.00 0.00 0.00 175.10 175.03 2hql s PHE 6 N -0.13 1.50 0.01 5.22 0.08 -1.26 -0.46 117.98 122.94 2hql s PHE 6 Ca 0.01 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.22 2hql s PHE 6 Cb -0.09 -1.23 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 2hql s PHE 6 CO 0.01 -0.54 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.06 2hql s LEU 7 N 1.70 2.08 -0.16 -0.37 1.02 -0.46 -4.98 118.68 117.50 2hql s LEU 7 Ca 0.03 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.01 2hql s LEU 7 Cb -0.14 0.00 0.03 0.00 0.02 0.00 0.00 46.19 46.10 2hql s LEU 7 CO -0.08 -0.09 -0.13 -0.70 0.02 0.00 0.00 176.35 175.37 2hql s GLU 8 N -0.49 2.27 0.15 1.70 2.12 -1.26 -0.13 118.70 123.06 2hql s GLU 8 Ca -0.05 -0.65 -0.18 0.00 0.36 0.00 0.00 54.97 54.45 2hql s GLU 8 Cb -0.03 -2.22 0.04 0.00 0.26 0.00 0.00 34.13 32.18 2hql s GLU 8 CO -0.00 -0.29 0.49 0.20 -0.54 0.00 0.00 175.26 175.12 2hql s GLY 9 N 1.45 -0.32 -0.07 -1.50 0.00 -0.48 -4.82 107.32 101.59 2hql s GLY 9 Ca 0.03 0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.55 2hql s GLY 9 CO -0.10 -0.17 0.77 1.85 0.00 0.00 0.00 173.10 175.44 2hql s GLU 10 N -3.81 4.44 -0.03 2.90 2.12 0.35 -0.87 118.70 123.80 2hql s GLU 10 Ca 0.04 0.99 -0.30 0.00 0.36 0.00 0.00 54.97 56.06 2hql s GLU 10 Cb 0.00 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 2hql s GLU 10 CO -0.10 -0.00 1.40 0.42 -0.54 0.00 0.00 175.26 176.44 2hql s ILE 11 N 1.00 3.79 -0.04 -3.70 1.01 0.19 -0.19 121.20 123.26 2hql s ILE 11 Ca 0.40 1.13 0.05 0.00 0.00 0.00 0.00 60.65 62.23 2hql s ILE 11 Cb -0.18 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 2hql s ILE 11 CO 0.19 -0.02 0.06 -0.62 0.00 0.00 0.00 174.94 174.55 2hql n GLU 12 N 5.68 1.99 -3.59 2.79 -0.58 -0.42 -4.95 120.64 121.56 2hql n GLU 12 Ca 0.14 -0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.77 2hql n GLU 12 Cb 0.44 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 2hql n GLU 12 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2hql s SER 13 N -3.30 -0.39 0.27 1.62 1.04 -1.22 -5.00 113.70 106.72 2hql s SER 13 Ca -0.03 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.08 2hql s SER 13 Cb 0.02 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2hql s SER 13 CO 0.23 -0.97 0.51 -0.94 0.98 0.00 0.00 173.24 173.05 2hql s SER 14 N -2.76 0.04 0.00 7.02 1.04 -1.26 -1.43 113.70 116.35 2hql s SER 14 Ca 0.06 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2hql s SER 14 Cb -0.02 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2hql s SER 14 CO -0.05 -1.21 0.00 0.00 0.98 0.00 0.00 173.24 172.96 2hql s TRP 16 N -2.00 3.32 1.08 0.00 0.52 -1.26 0.48 118.94 121.07 2hql s TRP 16 Ca 0.00 -0.03 -0.16 0.00 0.02 0.00 0.00 56.10 55.93 2hql s TRP 16 Cb 0.00 -1.52 0.23 0.00 -1.15 0.00 0.00 33.47 31.03 2hql s TRP 16 CO 0.00 0.48 1.13 -1.54 0.02 0.00 0.00 176.95 177.04 2hql s SER 17 N -3.78 2.02 0.33 2.95 1.04 -0.41 -4.87 113.70 110.98 2hql s SER 17 Ca 0.33 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.58 2hql s SER 17 Cb -0.09 -1.19 0.60 0.00 0.10 0.00 0.00 66.02 65.43 2hql s SER 17 CO 0.27 -3.46 1.95 0.58 0.98 0.00 0.00 173.24 173.57 2hql h VAL 18 N -2.12 1.09 -0.29 5.02 2.07 -2.00 -2.33 116.25 117.69 2hql h VAL 18 Ca -0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2hql h VAL 18 Cb 1.31 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2hql h VAL 18 CO 0.46 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.51 2hql n LYS 19 N -4.46 2.36 -1.79 1.57 5.02 -1.26 -4.96 118.16 114.64 2hql n LYS 19 Ca 0.11 -2.14 -0.07 0.00 -2.02 0.00 0.00 58.31 54.18 2hql n LYS 19 Cb 0.15 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.37 -0.56 0.23 1.97 5.02 -0.88 -4.92 118.16 120.39 2hql n LYS 20 Ca 0.17 0.51 0.09 0.00 -2.02 0.00 0.00 58.31 57.06 2hql n LYS 20 Cb 0.58 -4.38 0.54 0.00 -0.02 0.00 0.00 35.03 31.74 2hql n LYS 20 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2hql h THR 21 N 0.00 0.80 -3.13 -0.18 2.02 -1.93 -3.45 112.91 107.03 2hql h THR 21 Ca -0.17 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.00 2hql h THR 21 Cb 0.89 1.56 -0.17 0.00 -1.74 0.00 0.00 68.15 68.69 2hql h THR 21 CO 0.21 0.23 -0.18 -0.83 0.37 0.00 0.00 175.52 175.32 2hql s GLY 22 N -4.26 -0.20 -0.16 2.16 0.00 -1.26 -4.23 107.32 99.38 2hql s GLY 22 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 2hql s GLY 22 CO 0.64 -0.04 -0.10 -0.12 0.00 0.00 0.00 173.10 173.48 2hql s PHE 23 N -2.36 2.87 -0.04 1.90 5.36 -0.74 -1.29 117.98 123.67 2hql s PHE 23 Ca -0.06 -0.74 -0.01 0.00 -0.96 0.00 0.00 56.93 55.16 2hql s PHE 23 Cb -0.01 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 2hql s PHE 23 CO -0.02 -0.31 0.03 -0.51 -1.46 0.00 0.00 175.22 172.95 2hql s LEU 24 N 0.70 3.69 -0.02 6.12 1.02 0.18 -2.37 118.68 127.99 2hql s LEU 24 Ca -0.05 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.22 2hql s LEU 24 Cb -0.15 -2.00 0.03 0.00 0.02 0.00 0.00 46.19 44.09 2hql s LEU 24 CO 0.02 0.33 0.01 -0.69 0.02 0.00 0.00 176.35 176.04 2hql s VAL 25 N -1.03 0.05 -0.17 -1.59 1.01 0.80 -1.50 120.40 117.97 2hql s VAL 25 Ca 0.17 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2hql s VAL 25 Cb -0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 2hql s VAL 25 CO 0.07 0.11 0.26 -0.89 0.00 0.00 0.00 175.10 174.65 2hql s THR 26 N 0.98 5.33 0.12 3.92 2.01 -0.51 -0.58 115.64 126.90 2hql s THR 26 Ca -0.09 0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.45 2hql s THR 26 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2hql s THR 26 CO -0.02 0.40 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.63 2hql s ILE 27 N 0.47 3.66 -0.03 1.82 -1.09 0.20 -1.30 121.20 124.93 2hql s ILE 27 Ca 0.15 -1.22 0.06 0.00 -2.23 0.00 0.00 60.65 57.41 2hql s ILE 27 Cb -0.13 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 2hql s ILE 27 CO 0.03 0.06 -0.21 -0.75 -1.23 0.00 0.00 174.94 172.84 2hql s LYS 28 N -2.41 1.87 -0.04 2.79 2.20 0.73 -0.59 119.74 124.29 2hql s LYS 28 Ca 0.24 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2hql s LYS 28 Cb -0.11 -1.72 0.02 0.00 -1.51 0.00 0.00 37.83 34.51 2hql s LYS 28 CO 0.16 0.40 -0.04 -1.14 -0.36 0.00 0.00 175.35 174.37 2hql s GLN 29 N -0.33 0.75 0.47 4.03 0.74 -0.10 -0.50 119.66 124.72 2hql s GLN 29 Ca 0.04 -0.10 -0.22 0.00 0.05 0.00 0.00 55.36 55.13 2hql s GLN 29 Cb -0.10 -0.76 -0.07 0.00 1.10 0.00 0.00 33.01 33.17 2hql s GLN 29 CO 0.01 -0.06 1.12 -1.64 -0.55 0.00 0.00 175.29 174.16 2hql s MET 30 N 0.81 3.74 -0.03 1.67 -1.94 -1.26 -0.08 119.30 122.20 2hql s MET 30 Ca -0.11 1.64 -0.21 0.00 -1.71 0.00 0.00 55.69 55.30 2hql s MET 30 Cb -0.13 -2.30 0.04 0.00 2.01 0.00 0.00 34.83 34.45 2hql s MET 30 CO 0.00 -0.54 0.46 -0.98 -0.01 0.00 0.00 175.02 173.95 2hql s ARG 31 N -2.87 0.83 -0.11 2.03 1.70 -1.06 -4.85 118.95 114.62 2hql s ARG 31 Ca 0.65 -0.01 -0.06 0.00 -0.47 0.00 0.00 55.73 55.84 2hql s ARG 31 Cb -0.25 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 2hql s ARG 31 CO 0.30 -0.24 0.11 -0.06 -1.08 0.00 0.00 175.30 174.32 2hql s PHE 32 N -1.29 3.49 -0.74 5.89 0.08 -1.26 0.15 117.98 124.31 2hql s PHE 32 Ca -0.12 0.44 0.02 0.00 0.12 0.00 0.00 56.93 57.39 2hql s PHE 32 Cb -0.03 -1.90 0.18 0.00 -0.57 0.00 0.00 43.02 40.70 2hql s PHE 32 CO 0.06 0.67 0.56 0.12 -0.10 0.00 0.00 175.22 176.53 2hql s PHE 33 N -0.98 3.62 0.00 0.36 5.36 -0.00 -4.93 117.98 121.41 2hql s PHE 33 Ca 0.14 -3.14 0.00 0.00 -0.96 0.00 0.00 56.93 52.97 2hql s PHE 33 Cb -0.12 -2.97 0.00 0.00 -0.34 0.00 0.00 43.02 39.60 2hql s PHE 33 CO 0.04 -0.67 0.00 0.41 -1.46 0.00 0.00 175.22 173.54 2hql n GLY 34 N 2.41 2.17 0.00 13.12 0.00 -1.26 -1.65 105.19 119.98 2hql n GLY 34 Ca 0.17 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 45.99 2hql n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hql n GLU 35 N 13.12 0.92 -3.45 1.61 0.28 -1.26 -4.82 120.64 127.04 2hql n GLU 35 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 2hql n GLU 35 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 2hql n GLU 35 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2hql s ARG 36 N -2.07 4.07 -0.37 3.44 3.52 -0.66 -5.04 118.95 121.85 2hql s ARG 36 Ca 0.45 0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.78 2hql s ARG 36 Cb 0.21 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2hql s ARG 36 CO 0.38 -0.13 1.38 -1.17 -0.81 0.00 0.00 175.30 174.94 2hql s LEU 37 N 1.63 3.69 0.00 -0.88 0.20 -1.26 -0.82 118.68 121.23 2hql s LEU 37 Ca 0.14 0.96 0.00 0.00 0.69 0.00 0.00 54.13 55.93 2hql s LEU 37 Cb -0.15 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 2hql s LEU 37 CO 0.08 -1.31 0.00 0.49 -0.29 0.00 0.00 176.35 175.32 2hql n PHE 38 N 8.41 -1.76 -3.75 5.38 3.72 0.41 -4.94 117.46 124.92 2hql n PHE 38 Ca 0.16 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.42 2hql n PHE 38 Cb 0.47 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.23 0.05 -0.08 4.37 -4.23 -1.26 -2.57 115.64 113.15 2hql s THR 39 Ca 0.00 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 2hql s THR 39 Cb 0.00 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.24 2hql s THR 39 CO 0.00 -0.24 -0.08 -1.81 -0.54 0.00 0.00 174.62 171.95 2hql s ASP 40 N -1.23 1.77 -0.17 3.99 1.01 0.88 -4.83 116.67 118.09 2hql s ASP 40 Ca -0.13 -0.25 -0.06 0.00 0.71 0.00 0.00 52.55 52.82 2hql s ASP 40 Cb -0.05 -0.74 -0.04 0.00 1.01 0.00 0.00 42.92 43.11 2hql s ASP 40 CO 0.04 -0.06 0.03 -0.31 0.21 0.00 0.00 175.17 175.08 2hql s TYR 41 N 1.21 3.18 0.14 4.23 2.02 -1.26 -0.93 117.35 125.95 2hql s TYR 41 Ca -0.05 -0.04 0.09 0.00 -0.37 0.00 0.00 57.07 56.70 2hql s TYR 41 Cb -0.14 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 2hql s TYR 41 CO -0.02 0.11 -0.21 0.71 -1.57 0.00 0.00 175.55 174.58 2hql s TYR 42 N 0.30 1.90 -0.21 2.71 2.02 0.24 -4.94 117.35 119.36 2hql s TYR 42 Ca 0.01 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 2hql s TYR 42 Cb -0.13 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 2hql s TYR 42 CO 0.01 0.30 -0.04 0.08 -1.57 0.00 0.00 175.55 174.33 2hql s VAL 43 N -1.57 3.47 0.14 0.71 1.01 -1.26 0.62 120.40 123.52 2hql s VAL 43 Ca 0.12 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.74 2hql s VAL 43 Cb -0.08 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2hql s VAL 43 CO 0.06 0.43 -0.25 0.27 0.00 0.00 0.00 175.10 175.61 2hql s ILE 44 N 1.35 2.40 0.20 2.22 -4.36 0.26 -0.31 121.20 122.95 2hql s ILE 44 Ca 0.04 -1.76 -0.07 0.00 -0.26 0.00 0.00 60.65 58.60 2hql s ILE 44 Cb -0.14 -2.09 -0.02 0.00 1.25 0.00 0.00 42.46 41.46 2hql s ILE 44 CO -0.02 0.05 0.29 -0.72 0.24 0.00 0.00 174.94 174.78 2hql s TYR 45 N -1.19 0.67 -0.01 1.37 1.13 0.25 -0.14 117.35 119.42 2hql s TYR 45 Ca 0.16 -0.99 -0.23 0.00 -1.41 0.00 0.00 57.07 54.61 2hql s TYR 45 Cb -0.10 -0.16 0.05 0.00 -1.10 0.00 0.00 41.96 40.65 2hql s TYR 45 CO 0.08 -0.78 0.51 0.00 -2.51 0.00 0.00 175.55 172.84 2hql s ALA 46 N -4.06 -1.30 0.43 9.51 0.00 -1.00 -0.64 121.76 124.72 2hql s ALA 46 Ca 0.27 0.77 0.03 0.00 0.00 0.00 0.00 51.96 53.03 2hql s ALA 46 Cb 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2hql s ALA 46 CO 0.07 -0.37 0.08 -0.80 0.00 0.00 0.00 175.76 174.75 2hql s ASN 47 N -1.45 3.23 0.90 0.00 0.01 -1.26 -1.80 114.94 114.57 2hql s ASN 47 Ca -0.10 -1.63 0.00 0.00 -0.71 0.00 0.00 52.86 50.41 2hql s ASN 47 Cb -0.02 0.43 0.00 0.00 0.41 0.00 0.00 41.25 42.07 2hql s ASN 47 CO 0.05 -0.86 0.00 0.61 -1.51 0.00 0.00 177.10 175.39 2hql n GLY 48 N -1.01 1.20 0.23 0.66 0.00 -1.26 -2.73 105.19 102.27 2hql n GLY 48 Ca -0.10 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.35 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 0.05 -0.48 1.61 7.50 -1.98 -2.67 115.11 119.14 2hql h GLN 49 Ca 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.15 2hql h GLN 49 Cb 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 2hql h GLN 49 CO 0.00 0.24 0.32 -0.07 -1.50 0.00 0.00 178.83 177.81 2hql h LEU 50 N 0.05 0.53 -0.49 1.46 3.38 -1.89 -1.80 115.31 116.55 2hql h LEU 50 Ca 0.01 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2hql h LEU 50 Cb 0.35 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2hql h LEU 50 CO 0.02 0.38 0.20 0.00 0.09 0.00 0.00 178.44 179.13 2hql h ALA 51 N 1.71 0.60 -0.01 1.53 0.00 -1.36 0.85 119.26 122.58 2hql h ALA 51 Ca 0.18 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2hql h ALA 51 Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2hql h ALA 51 CO -0.04 -0.18 -0.70 1.88 0.00 0.00 0.00 179.25 180.22 2hql h TYR 52 N 0.40 0.08 -0.44 0.00 0.05 -1.60 -2.24 116.97 113.22 2hql h TYR 52 Ca 0.23 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.83 2hql h TYR 52 Cb 0.20 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2hql h TYR 52 CO -0.14 0.74 -0.27 1.49 -1.05 0.00 0.00 178.16 178.93 2hql h GLU 53 N 0.04 0.96 -0.32 4.88 4.81 -0.50 -2.43 114.58 122.02 2hql h GLU 53 Ca -0.01 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2hql h GLU 53 Cb 1.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2hql h GLU 53 CO 0.10 1.11 0.20 1.25 -0.73 0.00 0.00 179.01 180.93 2hql h LEU 54 N 0.80 0.37 -1.26 1.64 6.46 0.94 -2.23 115.31 122.04 2hql h LEU 54 Ca 0.09 -0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 2hql h LEU 54 Cb 0.85 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2hql h LEU 54 CO 0.08 0.30 -0.13 -0.08 -0.62 0.00 0.00 178.44 177.99 2hql h GLU 55 N 0.41 0.35 -0.13 1.25 4.81 -1.33 -1.95 114.58 118.00 2hql h GLU 55 Ca 0.11 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2hql h GLU 55 Cb -0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2hql h GLU 55 CO -0.02 0.49 -0.37 0.87 -0.73 0.00 0.00 179.01 179.25 2hql h LYS 56 N 0.33 0.28 -0.40 1.92 1.57 -1.15 -2.91 116.57 116.21 2hql h LYS 56 Ca 0.06 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2hql h LYS 56 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2hql h LYS 56 CO 0.02 0.61 -0.20 1.25 -0.57 0.00 0.00 179.45 180.57 2hql h HIS 57 N 0.24 0.98 0.00 -1.35 2.76 -0.77 -2.40 115.15 114.61 2hql h HIS 57 Ca 0.03 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 2hql h HIS 57 Cb 0.76 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2hql h HIS 57 CO 0.02 1.02 0.00 2.41 -1.30 0.00 0.00 177.93 180.07 2hql n THR 58 N -4.22 1.20 -0.03 6.26 -1.04 -0.82 -0.44 114.28 115.19 2hql n THR 58 Ca -0.01 0.43 0.04 0.00 -2.04 0.00 0.00 64.05 62.46 2hql n THR 58 Cb 0.43 -1.35 -0.14 0.00 -1.82 0.00 0.00 70.33 67.46 2hql n THR 58 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2hql n LYS 59 N -1.90 0.77 -0.01 -2.82 5.02 -1.08 -4.57 118.16 113.57 2hql n LYS 59 Ca 0.01 -0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.28 2hql n LYS 59 Cb 0.11 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.27 0.67 -3.91 1.97 4.81 -0.78 -5.01 118.16 113.63 2hql n LYS 60 Ca -0.11 -0.11 -0.10 0.00 -0.87 0.00 0.00 58.31 57.12 2hql n LYS 60 Cb 0.64 -1.43 -0.10 0.00 0.02 0.00 0.00 35.03 34.16 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 -3.13 0.14 -0.30 5.64 2.02 0.42 -5.05 117.35 117.08 2hql s TYR 61 Ca -0.02 -0.35 0.23 0.00 -0.37 0.00 0.00 57.07 56.56 2hql s TYR 61 Cb 0.13 -0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.60 2hql s TYR 61 CO 0.79 -0.30 1.04 1.63 -1.57 0.00 0.00 175.55 177.14 2hql n LYS 62 N 1.22 0.54 -4.22 -0.62 5.02 -1.26 -4.50 118.16 114.35 2hql n LYS 62 Ca -0.22 0.09 -0.18 0.00 -2.02 0.00 0.00 58.31 55.98 2hql n LYS 62 Cb 0.56 -1.77 -0.12 0.00 -0.02 0.00 0.00 35.03 33.69 2hql n LYS 62 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2hql s THR 63 N -3.34 1.26 0.00 -0.18 -4.23 -1.26 -0.64 115.64 107.26 2hql s THR 63 Ca 0.00 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2hql s THR 63 Cb 0.11 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 2hql s THR 63 CO 0.79 -0.32 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.99 2hql s ILE 64 N -1.74 0.37 -0.17 2.99 2.07 -0.05 -4.92 121.20 119.75 2hql s ILE 64 Ca 0.04 -0.27 -0.00 0.00 -1.41 0.00 0.00 60.65 59.01 2hql s ILE 64 Cb -0.07 -0.33 -0.00 0.00 0.13 0.00 0.00 42.46 42.19 2hql s ILE 64 CO 0.03 0.06 -0.14 -0.44 -1.91 0.00 0.00 174.94 172.54 2hql s SER 65 N -0.24 3.75 0.13 4.50 0.01 -1.26 -1.38 113.70 119.22 2hql s SER 65 Ca 0.01 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.83 2hql s SER 65 Cb -0.02 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 2hql s SER 65 CO -0.00 0.07 -0.05 0.27 0.41 0.00 0.00 173.24 173.94 2hql s ILE 66 N 0.93 0.73 -0.22 1.44 -5.25 0.81 -1.50 121.20 118.14 2hql s ILE 66 Ca -0.03 -1.96 0.01 0.00 -0.99 0.00 0.00 60.65 57.68 2hql s ILE 66 Cb -0.15 -1.85 0.03 0.00 2.95 0.00 0.00 42.46 43.45 2hql s ILE 66 CO -0.02 -0.73 -0.13 -0.70 -1.79 0.00 0.00 174.94 171.58 2hql s GLU 67 N -3.85 2.78 0.00 0.37 2.12 -0.62 -1.36 118.70 118.14 2hql s GLU 67 Ca 0.16 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2hql s GLU 67 Cb 0.05 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.66 2hql s GLU 67 CO -0.01 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 2hql n GLY 68 N 4.59 5.56 3.05 -1.50 0.00 0.40 -0.59 105.19 116.71 2hql n GLY 68 Ca -0.18 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.72 0.91 -0.36 -0.61 1.01 0.52 -1.78 121.20 120.17 2hql s ILE 69 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 60.65 59.90 2hql s ILE 69 Cb 0.00 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.71 2hql s ILE 69 CO 0.00 0.27 0.99 -0.22 0.00 0.00 0.00 174.94 175.97 2hql s LEU 70 N -0.13 3.94 0.37 2.97 2.96 -1.26 -0.29 118.68 127.24 2hql s LEU 70 Ca 0.02 0.71 0.08 0.00 -0.22 0.00 0.00 54.13 54.72 2hql s LEU 70 Cb -0.06 -3.37 -0.06 0.00 0.50 0.00 0.00 46.19 43.20 2hql s LEU 70 CO -0.00 -0.90 0.01 -0.13 -1.32 0.00 0.00 176.35 174.01 2hql s ARG 71 N 3.61 2.00 0.16 1.98 1.81 -0.61 -4.98 118.95 122.92 2hql s ARG 71 Ca 0.41 -1.92 -0.06 0.00 -1.72 0.00 0.00 55.73 52.43 2hql s ARG 71 Cb -0.12 -1.79 -0.02 0.00 -0.45 0.00 0.00 34.95 32.58 2hql s ARG 71 CO 0.19 0.04 0.22 0.95 -0.68 0.00 0.00 175.30 176.02 2hql s THR 72 N -2.61 0.07 0.05 0.02 -4.23 -1.26 -1.26 115.64 106.42 2hql s THR 72 Ca 0.35 -1.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 2hql s THR 72 Cb 0.04 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.96 2hql s THR 72 CO 0.19 -0.32 0.34 -0.72 -0.54 0.00 0.00 174.62 173.57 2hql s TYR 73 N -4.00 -0.16 -0.20 3.99 1.13 -0.57 -4.95 117.35 112.59 2hql s TYR 73 Ca 0.20 0.02 -0.20 0.00 -1.41 0.00 0.00 57.07 55.69 2hql s TYR 73 Cb 0.05 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 41.02 2hql s TYR 73 CO 0.01 -0.55 0.59 -1.17 -2.51 0.00 0.00 175.55 171.92 2hql s LEU 74 N -2.15 4.14 -0.68 -3.49 2.96 -1.26 -0.70 118.68 117.50 2hql s LEU 74 Ca -0.04 0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 54.40 2hql s LEU 74 Cb -0.00 -2.82 0.06 0.00 0.50 0.00 0.00 46.19 43.93 2hql s LEU 74 CO -0.04 -0.24 1.05 -0.70 -1.32 0.00 0.00 176.35 175.10 2hql s GLU 75 N 1.81 3.14 0.04 1.98 2.56 0.32 -4.93 118.70 123.62 2hql s GLU 75 Ca 0.27 -0.65 -0.12 0.00 0.00 0.00 0.00 54.97 54.47 2hql s GLU 75 Cb -0.16 -4.21 -0.05 0.00 2.00 0.00 0.00 34.13 31.72 2hql s GLU 75 CO 0.10 -1.89 1.20 0.00 -0.56 0.00 0.00 175.26 174.11 2hql h ARG 76 N 9.68 -0.21 -0.71 4.30 2.47 -1.95 0.83 114.38 128.80 2hql h ARG 76 Ca -0.28 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.58 2hql h ARG 76 Cb 1.06 0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 29.30 2hql h ARG 76 CO 1.20 -0.14 -0.32 0.87 0.56 0.00 0.00 179.97 182.15 2hql h LYS 77 N -0.21 -0.09 0.00 0.04 1.79 -1.98 -0.66 116.57 115.45 2hql h LYS 77 Ca 0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2hql h LYS 77 Cb 0.25 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2hql h LYS 77 CO -0.15 -0.06 -0.48 -1.13 -1.08 0.00 0.00 179.45 176.55 2hql n SER 78 N -5.46 0.48 -3.69 0.86 3.41 -1.20 -4.96 113.62 103.06 2hql n SER 78 Ca 0.07 -0.20 -0.24 0.00 -0.26 0.00 0.00 58.87 58.24 2hql n SER 78 Cb 0.37 0.21 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 2hql n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hql n GLU 79 N -1.52 -6.09 -5.17 4.33 -0.58 0.29 -5.01 120.64 106.89 2hql n GLU 79 Ca 0.06 0.70 -0.32 0.00 -0.42 0.00 0.00 57.16 57.18 2hql n GLU 79 Cb 0.34 -5.55 -0.15 0.00 -0.57 0.00 0.00 31.44 25.50 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 -3.43 2.36 -0.81 -3.67 1.01 -1.02 -4.91 121.20 110.73 2hql s ILE 80 Ca 0.32 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 2hql s ILE 80 Cb -0.15 -1.86 0.11 0.00 0.01 0.00 0.00 42.46 40.56 2hql s ILE 80 CO 0.78 0.58 1.04 0.26 0.00 0.00 0.00 174.94 177.60 2hql s TRP 81 N -0.53 2.95 0.59 3.97 0.52 -1.26 -0.52 118.94 124.66 2hql s TRP 81 Ca 0.07 -1.06 -0.19 0.00 0.02 0.00 0.00 56.10 54.94 2hql s TRP 81 Cb -0.11 -4.27 -0.04 0.00 -1.15 0.00 0.00 33.47 27.91 2hql s TRP 81 CO 0.00 -1.53 1.21 0.15 0.02 0.00 0.00 176.95 176.80 2hql s LYS 82 N 3.17 2.97 -0.11 4.98 -0.14 0.12 -4.71 119.74 126.02 2hql s LYS 82 Ca 0.27 1.84 -0.05 0.00 -1.36 0.00 0.00 55.97 56.67 2hql s LYS 82 Cb -0.11 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 2hql s LYS 82 CO -0.01 -1.21 0.06 0.99 -0.76 0.00 0.00 175.35 174.42 2hql s THR 83 N -1.58 4.85 0.22 2.17 2.01 -1.26 -1.51 115.64 120.52 2hql s THR 83 Ca 0.78 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.76 2hql s THR 83 Cb -0.31 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2hql s THR 83 CO 0.33 0.60 0.04 0.42 -0.69 0.00 0.00 174.62 175.31 2hql s THR 84 N -0.81 0.71 -0.21 -0.82 -4.23 -0.39 -4.53 115.64 105.36 2hql s THR 84 Ca 0.13 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2hql s THR 84 Cb -0.12 -2.35 0.06 0.00 1.34 0.00 0.00 72.50 71.43 2hql s THR 84 CO 0.03 -0.27 0.01 -0.63 -0.54 0.00 0.00 174.62 173.22 2hql s ILE 85 N -3.64 0.81 -0.16 2.99 1.01 0.57 -1.57 121.20 121.20 2hql s ILE 85 Ca 0.30 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 2hql s ILE 85 Cb 0.07 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2hql s ILE 85 CO 0.08 -0.20 1.12 -0.70 0.00 0.00 0.00 174.94 175.24 2hql s GLU 86 N 1.72 4.30 0.23 2.79 2.12 0.60 -0.58 118.70 129.87 2hql s GLU 86 Ca -0.02 1.49 -0.27 0.00 0.36 0.00 0.00 54.97 56.53 2hql s GLU 86 Cb -0.18 -3.64 -0.09 0.00 0.26 0.00 0.00 34.13 30.48 2hql s GLU 86 CO -0.08 -0.57 0.87 0.42 -0.54 0.00 0.00 175.26 175.37 2hql s ILE 87 N 2.92 4.23 -0.07 -3.70 1.01 0.19 0.19 121.20 125.97 2hql s ILE 87 Ca 0.49 1.86 0.05 0.00 0.00 0.00 0.00 60.65 63.05 2hql s ILE 87 Cb -0.19 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 2hql s ILE 87 CO 0.13 0.41 0.00 0.52 0.00 0.00 0.00 174.94 176.00 2hql n VAL 88 N 1.28 0.48 -3.66 2.92 0.31 0.25 -4.86 118.33 115.05 2hql n VAL 88 Ca -0.02 -0.27 -0.14 0.00 -0.01 0.00 0.00 64.34 63.89 2hql n VAL 88 Cb 0.48 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.17 0.75 -0.30 5.55 2.20 -0.79 -5.02 119.74 119.97 2hql s LYS 89 Ca -0.05 0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 56.11 2hql s LYS 89 Cb 0.02 0.36 0.03 0.00 -1.51 0.00 0.00 37.83 36.73 2hql s LYS 89 CO 0.27 -0.14 0.04 0.42 -0.36 0.00 0.00 175.35 175.57 2hql s ILE 90 N -0.16 3.44 0.32 5.43 1.01 -1.26 -1.58 121.20 128.39 2hql s ILE 90 Ca -0.04 -1.07 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 2hql s ILE 90 Cb -0.03 -2.87 -0.10 0.00 0.01 0.00 0.00 42.46 39.46 2hql s ILE 90 CO 0.03 -0.02 1.20 -0.36 0.00 0.00 0.00 174.94 175.79 2hql s PHE 91 N 1.37 3.28 0.03 3.97 0.08 -0.57 -4.94 117.98 121.20 2hql s PHE 91 Ca -0.01 1.55 -0.33 0.00 0.12 0.00 0.00 56.93 58.26 2hql s PHE 91 Cb -0.18 -3.47 -0.12 0.00 -0.57 0.00 0.00 43.02 38.67 2hql s PHE 91 CO 0.00 -1.23 1.80 -1.71 -0.10 0.00 0.00 175.22 173.98 2hql n ASN 92 N 0.87 3.53 0.34 1.36 2.85 -1.26 -4.61 115.26 118.34 2hql n ASN 92 Ca 0.00 1.00 0.19 0.00 -0.11 0.00 0.00 54.58 55.66 2hql n ASN 92 Cb 0.44 -1.43 1.02 0.00 1.24 0.00 0.00 39.78 41.05 2hql n ASN 92 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2hql h PRO 93 N 8.33 0.00 -0.42 1.20 0.13 -1.95 -2.12 132.00 137.17 2hql h PRO 93 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2hql h PRO 93 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2hql h PRO 93 CO 0.93 0.00 0.17 -0.22 -0.23 0.00 0.00 178.00 178.66 2hql h LYS 94 N 0.00 0.63 -6.83 0.86 1.63 -2.03 -3.45 116.57 107.38 2hql h LYS 94 Ca 0.00 -0.11 -0.46 0.00 -0.85 0.00 0.00 60.65 59.23 2hql h LYS 94 Cb 0.33 -0.10 0.04 0.00 -0.60 0.00 0.00 32.23 31.89 2hql h LYS 94 CO 0.00 0.57 -0.02 0.54 -3.45 0.00 0.00 179.45 177.10 2hql s ASN 95 N -5.86 5.65 -0.25 4.20 4.22 -0.80 -5.09 114.94 117.01 2hql s ASN 95 Ca -0.13 0.33 -0.07 0.00 -2.14 0.00 0.00 52.86 50.85 2hql s ASN 95 Cb 0.10 -1.44 -0.03 0.00 1.28 0.00 0.00 41.25 41.17 2hql s ASN 95 CO 0.76 -0.88 0.05 -0.70 -2.04 0.00 0.00 177.10 174.29 2hql s GLU 96 N -4.70 3.61 0.05 3.55 2.12 -1.26 -4.90 118.70 117.17 2hql s GLU 96 Ca 0.51 -0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 2hql s GLU 96 Cb -0.10 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 2hql s GLU 96 CO 0.40 -0.19 0.93 0.42 -0.54 0.00 0.00 175.26 176.27 2hql s ILE 97 N 1.60 4.70 -0.24 -3.70 -1.09 -1.26 -5.05 121.20 116.16 2hql s ILE 97 Ca 0.06 1.98 0.02 0.00 -2.23 0.00 0.00 60.65 60.48 2hql s ILE 97 Cb -0.15 -4.28 0.06 0.00 -1.58 0.00 0.00 42.46 36.50 2hql s ILE 97 CO 0.03 0.26 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.22 2hql s VAL 98 N 0.44 1.77 -0.11 2.92 1.01 -1.26 -5.12 120.40 120.05 2hql s VAL 98 Ca 0.47 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2hql s VAL 98 Cb -0.22 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2hql s VAL 98 CO 0.28 -0.03 0.43 -0.63 0.00 0.00 0.00 175.10 175.15 2hql s ILE 99 N 1.29 5.18 0.13 2.22 1.09 -1.26 -5.09 121.20 124.76 2hql s ILE 99 Ca -0.06 0.87 0.08 0.00 -1.10 0.00 0.00 60.65 60.43 2hql s ILE 99 Cb -0.19 -3.77 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 2hql s ILE 99 CO -0.06 0.37 -0.18 -0.62 -0.10 0.00 0.00 174.94 174.35 2hql s ASP 100 N 0.34 2.40 0.00 3.58 2.15 -1.26 -5.30 116.67 118.59 2hql s ASP 100 Ca 0.24 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.45 2hql s ASP 100 Cb -0.15 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 2hql s ASP 100 CO 0.10 -0.03 0.00 0.00 -0.17 0.00 0.00 175.17 175.07