#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 0.65 -3.20 -0.89 7.94 -1.26 -4.83 117.00 115.41 2hql n LEU 2 Ca 0.00 0.59 -0.03 0.00 -1.11 0.00 0.00 56.01 55.46 2hql n LEU 2 Cb 0.00 -0.78 -0.02 0.00 0.53 0.00 0.00 43.42 43.15 2hql n LEU 2 CO 0.00 -0.66 0.04 0.21 -1.11 0.00 0.00 177.39 175.87 2hql s ASN 3 N 5.13 -1.01 -0.01 1.96 3.84 -1.26 -5.11 114.94 118.49 2hql s ASN 3 Ca 1.03 -1.03 0.01 0.00 0.21 0.00 0.00 52.86 53.08 2hql s ASN 3 Cb -1.29 1.68 0.00 0.00 -0.55 0.00 0.00 41.25 41.09 2hql s ASN 3 CO 0.57 -0.18 -0.03 -0.13 -2.79 0.00 0.00 177.10 174.55 2hql s ARG 4 N 1.67 0.28 -0.01 0.43 0.52 -1.26 -4.63 118.95 115.94 2hql s ARG 4 Ca 0.17 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 2hql s ARG 4 Cb -0.06 -0.31 -0.00 0.00 0.52 0.00 0.00 34.95 35.10 2hql s ARG 4 CO -0.06 0.02 -0.09 0.08 0.02 0.00 0.00 175.30 175.27 2hql s VAL 5 N 0.17 0.72 -0.11 3.52 1.01 0.15 -4.90 120.40 120.96 2hql s VAL 5 Ca -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2hql s VAL 5 Cb -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2hql s VAL 5 CO -0.00 0.21 -0.13 -0.36 0.00 0.00 0.00 175.10 174.82 2hql s PHE 6 N -0.11 1.78 0.07 5.22 0.08 -1.26 0.83 117.98 124.58 2hql s PHE 6 Ca 0.02 -0.85 -0.16 0.00 0.12 0.00 0.00 56.93 56.06 2hql s PHE 6 Cb -0.05 -1.33 0.03 0.00 -0.57 0.00 0.00 43.02 41.10 2hql s PHE 6 CO -0.00 -0.48 0.37 -1.17 -0.10 0.00 0.00 175.22 173.84 2hql s LEU 7 N 1.17 0.59 -0.03 -0.37 2.96 -0.99 -5.00 118.68 117.01 2hql s LEU 7 Ca -0.04 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 2hql s LEU 7 Cb -0.14 1.62 0.01 0.00 0.50 0.00 0.00 46.19 48.18 2hql s LEU 7 CO -0.03 -0.71 0.13 -0.70 -1.32 0.00 0.00 176.35 173.72 2hql s GLU 8 N -2.94 0.27 0.14 1.98 2.12 -1.26 -0.58 118.70 118.43 2hql s GLU 8 Ca -0.02 -0.04 -0.16 0.00 0.36 0.00 0.00 54.97 55.11 2hql s GLU 8 Cb 0.00 0.12 0.06 0.00 0.26 0.00 0.00 34.13 34.57 2hql s GLU 8 CO -0.06 -0.05 0.76 0.41 -0.54 0.00 0.00 175.26 175.78 2hql n GLY 9 N 2.44 0.79 3.68 -1.50 0.00 -0.71 -4.74 105.19 105.15 2hql n GLY 9 Ca -0.16 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 2hql n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hql s GLU 10 N -2.04 4.18 0.09 1.61 2.56 0.13 -1.18 118.70 124.04 2hql s GLU 10 Ca 0.17 0.11 -0.31 0.00 0.00 0.00 0.00 54.97 54.94 2hql s GLU 10 Cb -0.02 -3.51 -0.10 0.00 2.00 0.00 0.00 34.13 32.50 2hql s GLU 10 CO 0.04 0.04 1.89 -0.89 -0.56 0.00 0.00 175.26 175.78 2hql n ILE 11 N 4.16 0.53 -0.09 -3.70 5.41 0.25 -1.36 119.36 124.56 2hql n ILE 11 Ca -0.10 -0.09 -0.10 0.00 1.00 0.00 0.00 62.75 63.46 2hql n ILE 11 Cb 0.51 -2.20 -0.12 0.00 -0.71 0.00 0.00 39.64 37.12 2hql n ILE 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2hql n GLU 12 N 6.39 1.10 -3.65 0.38 -0.58 0.20 -4.94 120.64 119.54 2hql n GLU 12 Ca 0.19 0.02 0.01 0.00 -0.42 0.00 0.00 57.16 56.96 2hql n GLU 12 Cb 0.39 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 -5.29 -0.06 -0.06 1.62 1.04 -1.19 -5.00 113.70 104.75 2hql s SER 13 Ca -0.13 -0.17 -0.31 0.00 0.48 0.00 0.00 55.95 55.82 2hql s SER 13 Cb 0.06 0.19 0.11 0.00 0.10 0.00 0.00 66.02 66.48 2hql s SER 13 CO 0.64 -0.36 1.02 -0.94 0.98 0.00 0.00 173.24 174.58 2hql s SER 14 N -3.01 -0.27 -0.01 7.02 1.04 -1.26 -0.59 113.70 116.63 2hql s SER 14 Ca 0.15 -0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.27 2hql s SER 14 Cb 0.04 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.56 2hql s SER 14 CO -0.03 -0.49 0.87 0.00 0.98 0.00 0.00 173.24 174.57 2hql s TRP 16 N -2.90 3.69 1.18 0.00 0.52 -1.26 -0.32 118.94 119.86 2hql s TRP 16 Ca 0.03 1.05 -0.19 0.00 0.02 0.00 0.00 56.10 57.01 2hql s TRP 16 Cb -0.01 -2.34 0.28 0.00 -1.15 0.00 0.00 33.47 30.25 2hql s TRP 16 CO -0.08 0.56 1.11 -1.54 0.02 0.00 0.00 176.95 177.02 2hql s SER 17 N -1.36 1.08 0.05 2.95 1.04 -0.98 -4.90 113.70 111.58 2hql s SER 17 Ca 0.30 0.68 -0.24 0.00 0.48 0.00 0.00 55.95 57.16 2hql s SER 17 Cb -0.16 -0.96 -0.12 0.00 0.10 0.00 0.00 66.02 64.88 2hql s SER 17 CO 0.17 -4.03 1.37 0.58 0.98 0.00 0.00 173.24 172.31 2hql h VAL 18 N -2.52 0.00 -0.17 5.02 2.07 -1.98 -2.54 116.25 116.13 2hql h VAL 18 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 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 0.36 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.24 2hql n LYS 19 N -4.45 2.16 -2.21 1.57 5.02 -1.26 -4.84 118.16 114.14 2hql n LYS 19 Ca -0.09 -0.94 -0.17 0.00 -2.02 0.00 0.00 58.31 55.09 2hql n LYS 19 Cb 0.33 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 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 0.19 -1.82 -0.10 1.97 5.02 -0.96 -4.85 118.16 117.61 2hql n LYS 20 Ca 0.08 0.85 0.19 0.00 -2.02 0.00 0.00 58.31 57.41 2hql n LYS 20 Cb 0.53 -5.41 0.61 0.00 -0.02 0.00 0.00 35.03 30.74 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 0.74 -3.52 -0.18 2.02 -1.88 -3.44 112.91 106.64 2hql h THR 21 Ca -0.38 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 2hql h THR 21 Cb 1.25 0.53 -0.10 0.00 -1.74 0.00 0.00 68.15 68.08 2hql h THR 21 CO 0.47 0.03 -0.09 -0.83 0.37 0.00 0.00 175.52 175.48 2hql s GLY 22 N -3.92 0.17 -0.13 2.16 0.00 -1.26 -4.22 107.32 100.13 2hql s GLY 22 Ca -0.06 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.16 2hql s GLY 22 CO 0.75 -0.48 -0.21 -0.12 0.00 0.00 0.00 173.10 173.04 2hql s PHE 23 N -3.93 2.53 -0.15 1.90 5.36 -0.60 -2.33 117.98 120.76 2hql s PHE 23 Ca 0.14 -1.24 -0.04 0.00 -0.96 0.00 0.00 56.93 54.82 2hql s PHE 23 Cb 0.00 -1.73 -0.03 0.00 -0.34 0.00 0.00 43.02 40.92 2hql s PHE 23 CO 0.00 -0.57 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.66 2hql s LEU 24 N 0.80 3.37 0.05 6.12 1.02 0.56 -2.20 118.68 128.41 2hql s LEU 24 Ca -0.08 -0.07 0.09 0.00 0.02 0.00 0.00 54.13 54.10 2hql s LEU 24 Cb -0.16 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 2hql s LEU 24 CO -0.01 0.19 -0.26 -0.69 0.02 0.00 0.00 176.35 175.61 2hql s VAL 25 N 0.22 2.08 -0.18 -1.59 1.01 0.03 0.62 120.40 122.59 2hql s VAL 25 Ca -0.01 -1.39 -0.00 0.00 0.00 0.00 0.00 61.98 60.58 2hql s VAL 25 Cb -0.14 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2hql s VAL 25 CO 0.02 0.32 -0.16 -0.89 0.00 0.00 0.00 175.10 174.40 2hql s THR 26 N -0.82 2.49 0.09 3.92 2.01 0.24 -0.40 115.64 123.16 2hql s THR 26 Ca 0.11 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.35 2hql s THR 26 Cb -0.10 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2hql s THR 26 CO 0.02 0.51 0.02 -0.63 -0.69 0.00 0.00 174.62 173.86 2hql s ILE 27 N 1.16 4.17 -0.07 1.82 -1.09 0.61 0.61 121.20 128.41 2hql s ILE 27 Ca 0.01 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 57.56 2hql s ILE 27 Cb -0.14 -2.99 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 2hql s ILE 27 CO -0.07 0.13 -0.21 -0.75 -1.23 0.00 0.00 174.94 172.81 2hql s LYS 28 N -2.32 2.71 -0.05 2.79 2.20 -0.46 -0.28 119.74 124.32 2hql s LYS 28 Ca 0.27 -0.82 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 2hql s LYS 28 Cb -0.12 -2.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2hql s LYS 28 CO 0.19 0.39 -0.14 -1.14 -0.36 0.00 0.00 175.35 174.30 2hql s GLN 29 N -0.17 1.67 0.38 4.03 0.74 0.12 -0.70 119.66 125.73 2hql s GLN 29 Ca -0.02 -0.48 -0.27 0.00 0.05 0.00 0.00 55.36 54.63 2hql s GLN 29 Cb -0.14 -1.41 -0.09 0.00 1.10 0.00 0.00 33.01 32.47 2hql s GLN 29 CO 0.04 0.12 1.27 -1.64 -0.55 0.00 0.00 175.29 174.53 2hql s MET 30 N 0.35 4.12 0.06 1.67 -1.94 -1.26 0.01 119.30 122.31 2hql s MET 30 Ca -0.09 2.11 0.02 0.00 -1.71 0.00 0.00 55.69 56.02 2hql s MET 30 Cb -0.13 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 33.83 2hql s MET 30 CO 0.03 -0.35 -0.08 0.50 -0.01 0.00 0.00 175.02 175.11 2hql s ARG 31 N -2.09 0.66 0.29 2.03 6.06 -1.07 -4.81 118.95 120.01 2hql s ARG 31 Ca 0.54 -0.97 0.10 0.00 -2.50 0.00 0.00 55.73 52.90 2hql s ARG 31 Cb -0.37 -0.31 -0.05 0.00 0.06 0.00 0.00 34.95 34.28 2hql s ARG 31 CO 0.48 0.04 -0.03 -0.06 -2.50 0.00 0.00 175.30 173.23 2hql s PHE 32 N -2.13 2.58 -0.40 5.12 0.08 -1.26 0.71 117.98 122.68 2hql s PHE 32 Ca -0.02 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 56.79 2hql s PHE 32 Cb -0.05 -1.24 0.17 0.00 -0.57 0.00 0.00 43.02 41.33 2hql s PHE 32 CO -0.01 0.59 0.50 0.12 -0.10 0.00 0.00 175.22 176.32 2hql s PHE 33 N -2.41 -0.87 0.00 0.36 5.36 -0.53 -4.89 117.98 115.01 2hql s PHE 33 Ca 0.32 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 2hql s PHE 33 Cb -0.05 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.53 2hql s PHE 33 CO 0.19 -1.07 0.00 0.41 -1.46 0.00 0.00 175.22 173.29 2hql n GLY 34 N 4.14 2.61 0.52 13.12 0.00 -1.26 -2.40 105.19 121.92 2hql n GLY 34 Ca 0.13 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 10.69 1.52 -2.96 1.61 0.28 -1.26 -4.95 120.64 125.58 2hql n GLU 35 Ca 0.00 -1.09 -0.40 0.00 -0.16 0.00 0.00 57.16 55.51 2hql n GLU 35 Cb 0.00 -1.39 -0.05 0.00 1.43 0.00 0.00 31.44 31.43 2hql n GLU 35 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2hql s ARG 36 N -2.13 4.50 -0.25 3.44 1.81 -1.01 -5.03 118.95 120.27 2hql s ARG 36 Ca 0.18 1.08 -0.13 0.00 -1.72 0.00 0.00 55.73 55.13 2hql s ARG 36 Cb 0.16 -3.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.22 2hql s ARG 36 CO 0.45 0.19 0.30 -1.17 -0.68 0.00 0.00 175.30 174.39 2hql s LEU 37 N 0.28 4.08 0.00 2.53 0.20 -1.26 -1.45 118.68 123.06 2hql s LEU 37 Ca 0.40 0.24 0.00 0.00 0.69 0.00 0.00 54.13 55.46 2hql s LEU 37 Cb -0.20 -2.32 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 2hql s LEU 37 CO 0.23 -0.08 0.00 0.33 -0.29 0.00 0.00 176.35 176.53 2hql n PHE 38 N 4.87 0.00 -3.75 5.38 7.35 0.22 -4.99 117.46 126.53 2hql n PHE 38 Ca -0.11 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.45 2hql n PHE 38 Cb 0.51 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.26 2hql n PHE 38 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2hql s THR 39 N 1.36 0.06 -0.05 -2.13 -1.32 -1.26 -2.61 115.64 109.68 2hql s THR 39 Ca 0.00 -0.48 0.06 0.00 -1.21 0.00 0.00 61.69 60.06 2hql s THR 39 Cb 0.00 -0.65 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 2hql s THR 39 CO 0.00 -0.26 -0.24 -1.81 -2.21 0.00 0.00 174.62 170.10 2hql s ASP 40 N -1.38 2.90 -0.07 8.08 1.01 0.10 -4.80 116.67 122.51 2hql s ASP 40 Ca -0.13 -0.48 0.03 0.00 0.71 0.00 0.00 52.55 52.68 2hql s ASP 40 Cb -0.05 -0.78 -0.02 0.00 1.01 0.00 0.00 42.92 43.08 2hql s ASP 40 CO 0.04 0.23 -0.17 -0.31 0.21 0.00 0.00 175.17 175.17 2hql s TYR 41 N -0.14 2.65 0.10 4.23 2.02 -1.26 0.14 117.35 125.08 2hql s TYR 41 Ca -0.03 -0.45 0.06 0.00 -0.37 0.00 0.00 57.07 56.28 2hql s TYR 41 Cb -0.13 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2hql s TYR 41 CO 0.03 -0.03 -0.14 0.71 -1.57 0.00 0.00 175.55 174.55 2hql s TYR 42 N -0.29 1.33 -0.16 2.71 2.02 0.61 -4.98 117.35 118.58 2hql s TYR 42 Ca 0.02 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.20 2hql s TYR 42 Cb -0.13 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.71 2hql s TYR 42 CO 0.03 0.10 -0.14 0.08 -1.57 0.00 0.00 175.55 174.04 2hql s VAL 43 N -1.71 2.73 0.25 0.71 1.01 -1.26 -0.29 120.40 121.84 2hql s VAL 43 Ca 0.04 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.37 2hql s VAL 43 Cb -0.07 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2hql s VAL 43 CO 0.03 0.51 -0.16 0.27 0.00 0.00 0.00 175.10 175.74 2hql s ILE 44 N 0.85 2.09 0.29 2.22 -4.36 0.46 -1.43 121.20 121.31 2hql s ILE 44 Ca -0.04 -2.30 -0.09 0.00 -0.26 0.00 0.00 60.65 57.95 2hql s ILE 44 Cb -0.15 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.37 2hql s ILE 44 CO -0.00 -0.48 0.50 -0.72 0.24 0.00 0.00 174.94 174.47 2hql s TYR 45 N -2.75 0.59 0.05 1.37 1.13 -0.64 -0.79 117.35 116.30 2hql s TYR 45 Ca 0.26 -0.93 -0.22 0.00 -1.41 0.00 0.00 57.07 54.77 2hql s TYR 45 Cb -0.02 0.15 0.05 0.00 -1.10 0.00 0.00 41.96 41.03 2hql s TYR 45 CO 0.11 -1.09 0.50 0.00 -2.51 0.00 0.00 175.55 172.56 2hql s ALA 46 N -3.53 -1.28 0.37 9.51 0.00 -0.93 -0.92 121.76 124.98 2hql s ALA 46 Ca 0.25 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.81 2hql s ALA 46 Cb -0.01 0.41 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 2hql s ALA 46 CO 0.13 -0.51 -0.02 -0.80 0.00 0.00 0.00 175.76 174.56 2hql s ASN 47 N -2.04 3.54 1.03 0.00 0.01 -1.26 -1.56 114.94 114.65 2hql s ASN 47 Ca -0.05 -1.31 0.00 0.00 -0.71 0.00 0.00 52.86 50.79 2hql s ASN 47 Cb -0.01 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.33 2hql s ASN 47 CO -0.03 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 2hql n GLY 48 N -0.85 2.87 0.11 0.66 0.00 -1.26 -2.52 105.19 104.20 2hql n GLY 48 Ca -0.05 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.61 4.20 -1.99 -2.47 115.11 116.51 2hql h GLN 49 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2hql h GLN 49 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2hql h GLN 49 CO 0.00 0.04 0.06 1.25 -0.67 0.00 0.00 178.83 179.51 2hql h LEU 50 N 0.06 0.00 -0.28 1.46 5.85 -1.91 -0.19 115.31 120.30 2hql h LEU 50 Ca 0.10 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.62 2hql h LEU 50 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2hql h LEU 50 CO -0.18 0.00 -0.72 0.00 -0.34 0.00 0.00 178.44 177.20 2hql h ALA 51 N 1.87 0.44 0.00 1.25 0.00 -1.14 -1.37 119.26 120.31 2hql h ALA 51 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 2hql h ALA 51 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2hql h ALA 51 CO 0.00 0.71 -0.49 1.88 0.00 0.00 0.00 179.25 181.35 2hql h TYR 52 N 0.47 0.00 -0.17 0.00 0.05 -1.10 -1.74 116.97 114.48 2hql h TYR 52 Ca -0.03 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 2hql h TYR 52 Cb 1.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.07 2hql h TYR 52 CO 0.07 0.49 -0.46 0.93 -1.05 0.00 0.00 178.16 178.14 2hql h GLU 53 N 0.00 0.61 -0.00 4.88 5.08 -1.31 -2.62 114.58 121.22 2hql h GLU 53 Ca -0.00 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2hql h GLU 53 Cb 1.13 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2hql h GLU 53 CO 0.06 1.05 -0.03 1.25 -1.00 0.00 0.00 179.01 180.34 2hql h LEU 54 N 0.28 -0.10 -1.54 1.33 5.85 -1.07 0.35 115.31 120.42 2hql h LEU 54 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2hql h LEU 54 Cb 1.07 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2hql h LEU 54 CO 0.10 -0.05 0.28 -0.08 -0.34 0.00 0.00 178.44 178.34 2hql h GLU 55 N -0.06 0.59 -0.00 1.25 4.81 -1.37 0.24 114.58 120.04 2hql h GLU 55 Ca 0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2hql h GLU 55 Cb 0.08 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2hql h GLU 55 CO -0.04 0.40 -0.03 0.87 -0.73 0.00 0.00 179.01 179.48 2hql h LYS 56 N 0.60 0.03 -0.14 1.92 1.57 -1.03 -1.70 116.57 117.81 2hql h LYS 56 Ca 0.16 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2hql h LYS 56 Cb -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2hql h LYS 56 CO -0.03 0.72 0.14 1.25 -0.57 0.00 0.00 179.45 180.96 2hql h HIS 57 N -0.66 0.00 -0.17 -1.35 2.76 -0.00 0.73 115.15 116.46 2hql h HIS 57 Ca -0.00 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.96 2hql h HIS 57 Cb 0.73 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.70 2hql h HIS 57 CO 0.17 0.00 -0.73 1.15 -1.30 0.00 0.00 177.93 177.22 2hql h THR 58 N 0.00 1.29 -0.27 6.26 2.02 -0.34 -0.89 112.91 120.99 2hql h THR 58 Ca 0.07 -1.95 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 2hql h THR 58 Cb 0.35 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2hql h THR 58 CO -0.00 0.62 0.01 0.29 0.37 0.00 0.00 175.52 176.80 2hql n LYS 59 N -3.93 2.78 0.00 6.66 5.02 0.21 -4.09 118.16 124.80 2hql n LYS 59 Ca -0.06 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 2hql n LYS 59 Cb 0.72 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.28 0.52 -4.40 1.97 4.81 -0.95 -5.05 118.16 115.34 2hql n LYS 60 Ca 0.13 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.36 2hql n LYS 60 Cb 0.69 -0.62 -0.10 0.00 0.02 0.00 0.00 35.03 35.02 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 -1.24 1.97 -0.20 5.64 2.02 -0.35 -5.06 117.35 120.12 2hql s TYR 61 Ca 0.00 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2hql s TYR 61 Cb 0.00 -0.90 -0.21 0.00 -0.40 0.00 0.00 41.96 40.46 2hql s TYR 61 CO 0.00 0.50 0.03 1.63 -1.57 0.00 0.00 175.55 176.15 2hql n LYS 62 N -0.49 0.69 -3.41 -0.62 5.02 -1.26 -4.65 118.16 113.44 2hql n LYS 62 Ca -0.07 0.22 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 2hql n LYS 62 Cb 0.60 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.53 3.44 -0.19 -0.18 -4.23 -1.26 0.86 115.64 111.55 2hql s THR 63 Ca -0.30 -1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 2hql s THR 63 Cb 0.08 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.80 2hql s THR 63 CO 0.67 -0.09 0.66 -0.51 -0.54 0.00 0.00 174.62 174.81 2hql s ILE 64 N -2.30 0.00 0.00 2.99 2.07 -0.33 -4.84 121.20 118.81 2hql s ILE 64 Ca 0.48 -0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.77 2hql s ILE 64 Cb -0.08 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 2hql s ILE 64 CO 0.30 -0.01 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.65 2hql s SER 65 N -0.12 2.71 0.33 4.50 0.01 -1.26 -1.75 113.70 118.13 2hql s SER 65 Ca -0.03 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.80 2hql s SER 65 Cb -0.03 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2hql s SER 65 CO 0.03 0.26 0.37 0.27 0.41 0.00 0.00 173.24 174.58 2hql s ILE 66 N -0.62 0.00 -0.07 1.44 -4.36 0.25 -1.81 121.20 116.03 2hql s ILE 66 Ca 0.09 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 2hql s ILE 66 Cb -0.09 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 41.06 2hql s ILE 66 CO 0.00 0.00 -0.13 -0.70 0.24 0.00 0.00 174.94 174.35 2hql s GLU 67 N -3.27 1.83 0.09 0.37 -6.30 0.10 -2.36 118.70 109.17 2hql s GLU 67 Ca 0.36 -0.46 -0.02 0.00 -2.50 0.00 0.00 54.97 52.36 2hql s GLU 67 Cb 0.01 -1.50 0.01 0.00 0.00 0.00 0.00 34.13 32.65 2hql s GLU 67 CO 0.24 0.04 0.15 0.41 0.02 0.00 0.00 175.26 176.12 2hql n GLY 68 N 3.81 2.40 3.15 -1.50 0.00 0.24 -0.68 105.19 112.60 2hql n GLY 68 Ca -0.22 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.64 1.97 -0.17 -0.61 1.01 0.02 0.29 121.20 121.08 2hql s ILE 69 Ca 0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 2hql s ILE 69 Cb -0.01 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2hql s ILE 69 CO 0.04 0.53 1.38 -0.22 0.00 0.00 0.00 174.94 176.67 2hql s LEU 70 N 0.85 4.14 0.45 2.97 2.96 -1.26 -0.97 118.68 127.82 2hql s LEU 70 Ca -0.07 1.73 0.04 0.00 -0.22 0.00 0.00 54.13 55.61 2hql s LEU 70 Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 2hql s LEU 70 CO -0.02 -0.88 0.01 -0.13 -1.32 0.00 0.00 176.35 174.01 2hql s ARG 71 N 3.80 2.06 0.15 1.98 1.81 0.40 -4.98 118.95 124.17 2hql s ARG 71 Ca 0.60 -2.24 -0.14 0.00 -1.72 0.00 0.00 55.73 52.23 2hql s ARG 71 Cb -0.24 -1.56 0.02 0.00 -0.45 0.00 0.00 34.95 32.73 2hql s ARG 71 CO 0.20 -0.20 0.39 0.95 -0.68 0.00 0.00 175.30 175.96 2hql s THR 72 N -2.81 0.07 0.08 0.02 -4.23 -1.26 -1.26 115.64 106.25 2hql s THR 72 Ca 0.22 -0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 2hql s THR 72 Cb 0.06 -1.42 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 2hql s THR 72 CO 0.11 -0.30 0.07 -0.72 -0.54 0.00 0.00 174.62 173.25 2hql s TYR 73 N -3.86 0.40 -0.02 3.99 1.13 -0.58 -4.96 117.35 113.45 2hql s TYR 73 Ca 0.07 -0.88 -0.20 0.00 -1.41 0.00 0.00 57.07 54.65 2hql s TYR 73 Cb 0.02 -0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.57 2hql s TYR 73 CO -0.07 -0.47 0.59 -1.17 -2.51 0.00 0.00 175.55 171.92 2hql s LEU 74 N -2.91 4.40 -0.97 -3.49 2.96 -1.26 -0.42 118.68 116.99 2hql s LEU 74 Ca 0.08 1.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.98 2hql s LEU 74 Cb 0.07 -2.91 0.21 0.00 0.50 0.00 0.00 46.19 44.05 2hql s LEU 74 CO -0.09 0.08 1.02 -0.70 -1.32 0.00 0.00 176.35 175.34 2hql s GLU 75 N -0.06 3.82 0.64 1.98 2.56 0.69 -4.90 118.70 123.42 2hql s GLU 75 Ca 0.31 -2.51 0.20 0.00 0.00 0.00 0.00 54.97 52.97 2hql s GLU 75 Cb -0.18 -4.66 0.98 0.00 2.00 0.00 0.00 34.13 32.28 2hql s GLU 75 CO 0.17 -1.45 1.53 0.00 -0.56 0.00 0.00 175.26 174.94 2hql h ARG 76 N 7.66 0.00 0.00 4.30 3.08 -1.94 0.45 114.38 127.93 2hql h ARG 76 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2hql h ARG 76 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2hql h ARG 76 CO 0.96 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.49 2hql n LYS 77 N -2.99 0.00 0.00 0.04 4.76 -1.26 -4.02 118.16 114.69 2hql n LYS 77 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2hql n LYS 77 Cb 0.83 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.94 2hql n LYS 77 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2hql n SER 78 N -0.04 0.00 -2.05 4.39 3.41 -1.21 -4.71 113.62 113.42 2hql n SER 78 Ca 0.00 0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.59 2hql n SER 78 Cb 0.00 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.05 -1.73 -3.52 4.33 -0.58 0.16 -4.94 120.64 113.30 2hql n GLU 79 Ca 0.00 0.86 -0.38 0.00 -0.42 0.00 0.00 57.16 57.23 2hql n GLU 79 Cb 0.06 -5.36 -0.06 0.00 -0.57 0.00 0.00 31.44 25.51 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 -2.65 5.16 -0.52 -3.67 1.01 -1.13 -4.84 121.20 114.57 2hql s ILE 80 Ca 0.00 0.72 -0.22 0.00 0.00 0.00 0.00 60.65 61.15 2hql s ILE 80 Cb 0.00 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.84 2hql s ILE 80 CO 0.00 0.51 0.81 0.26 0.00 0.00 0.00 174.94 176.51 2hql s TRP 81 N -0.49 2.92 0.54 3.97 0.52 -1.26 -0.23 118.94 124.90 2hql s TRP 81 Ca 0.21 -0.14 -0.18 0.00 0.02 0.00 0.00 56.10 56.01 2hql s TRP 81 Cb -0.15 -3.81 -0.06 0.00 -1.15 0.00 0.00 33.47 28.30 2hql s TRP 81 CO 0.10 -1.17 1.05 0.15 0.02 0.00 0.00 176.95 177.10 2hql s LYS 82 N 3.39 3.55 -0.10 4.98 -0.14 0.44 -4.80 119.74 127.07 2hql s LYS 82 Ca 0.25 1.30 -0.02 0.00 -1.36 0.00 0.00 55.97 56.14 2hql s LYS 82 Cb -0.14 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.91 2hql s LYS 82 CO 0.18 -0.63 -0.00 0.99 -0.76 0.00 0.00 175.35 175.12 2hql s THR 83 N -2.19 4.27 0.03 2.17 2.01 -1.26 -1.53 115.64 119.13 2hql s THR 83 Ca 0.66 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2hql s THR 83 Cb -0.17 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2hql s THR 83 CO 0.28 0.58 -0.03 0.42 -0.69 0.00 0.00 174.62 175.18 2hql s THR 84 N -0.67 0.18 -0.22 -0.82 -4.23 -0.39 -4.52 115.64 104.97 2hql s THR 84 Ca 0.11 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2hql s THR 84 Cb -0.12 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 2hql s THR 84 CO 0.02 -0.60 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.84 2hql s ILE 85 N -1.99 3.46 -0.51 2.99 1.09 -0.52 -0.45 121.20 125.27 2hql s ILE 85 Ca -0.10 -0.46 -0.29 0.00 -1.10 0.00 0.00 60.65 58.70 2hql s ILE 85 Cb -0.06 -2.58 0.03 0.00 -1.06 0.00 0.00 42.46 38.79 2hql s ILE 85 CO -0.03 0.42 1.15 -0.70 -0.10 0.00 0.00 174.94 175.68 2hql s GLU 86 N 1.48 3.66 0.15 2.79 2.12 -0.15 -1.63 118.70 127.13 2hql s GLU 86 Ca 0.06 0.47 -0.31 0.00 0.36 0.00 0.00 54.97 55.54 2hql s GLU 86 Cb -0.14 -3.94 -0.10 0.00 0.26 0.00 0.00 34.13 30.21 2hql s GLU 86 CO -0.03 -1.47 1.53 0.42 -0.54 0.00 0.00 175.26 175.17 2hql s ILE 87 N 4.59 2.78 -0.13 -3.70 1.01 -0.09 -0.80 121.20 124.87 2hql s ILE 87 Ca 0.46 0.56 0.04 0.00 0.00 0.00 0.00 60.65 61.71 2hql s ILE 87 Cb -0.07 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 2hql s ILE 87 CO 0.30 0.04 -0.07 0.52 0.00 0.00 0.00 174.94 175.74 2hql n VAL 88 N 3.97 0.76 -3.75 2.92 0.31 0.14 -4.83 118.33 117.86 2hql n VAL 88 Ca 0.13 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 2hql n VAL 88 Cb 0.39 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.27 0.39 -0.11 5.55 2.20 -0.45 -4.98 119.74 120.07 2hql s LYS 89 Ca -0.14 0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.96 2hql s LYS 89 Cb 0.04 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 2hql s LYS 89 CO 0.35 -0.07 -0.00 0.42 -0.36 0.00 0.00 175.35 175.69 2hql s ILE 90 N 0.40 4.26 0.27 5.43 1.01 -1.26 -0.72 121.20 130.58 2hql s ILE 90 Ca -0.02 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.44 2hql s ILE 90 Cb -0.04 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2hql s ILE 90 CO -0.02 0.56 0.35 -0.36 0.00 0.00 0.00 174.94 175.48 2hql s PHE 91 N -0.43 3.26 -0.14 3.97 0.08 -0.75 -5.01 117.98 118.96 2hql s PHE 91 Ca 0.08 -0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.73 2hql s PHE 91 Cb -0.12 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2hql s PHE 91 CO 0.02 0.32 1.28 1.21 -0.10 0.00 0.00 175.22 177.96 2hql s ASN 92 N -4.00 6.94 0.00 1.36 2.47 -1.26 -4.65 114.94 115.79 2hql s ASN 92 Ca 0.37 1.75 0.00 0.00 0.42 0.00 0.00 52.86 55.40 2hql s ASN 92 Cb -0.09 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2hql s ASN 92 CO 0.29 -0.75 0.25 -0.81 -3.72 0.00 0.00 177.10 172.36 2hql n PRO 93 N 6.43 0.00 0.00 0.43 -0.04 -1.26 0.46 135.00 141.01 2hql n PRO 93 Ca 0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 2hql n PRO 93 Cb 0.45 -1.30 0.02 0.00 -0.04 0.00 0.00 33.50 32.63 2hql n PRO 93 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2hql n LYS 94 N -0.72 1.36 -4.10 0.54 5.02 -1.26 -4.99 118.16 114.01 2hql n LYS 94 Ca 0.00 -0.91 -0.35 0.00 -2.02 0.00 0.00 58.31 55.03 2hql n LYS 94 Cb 0.00 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 2hql n LYS 94 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2hql s ASN 95 N -1.23 5.66 -0.28 4.39 0.01 0.17 -5.07 114.94 118.59 2hql s ASN 95 Ca 0.11 0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 52.20 2hql s ASN 95 Cb 0.09 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.93 2hql s ASN 95 CO 0.22 0.29 0.86 -0.70 -1.51 0.00 0.00 177.10 176.26 2hql s GLU 96 N -0.36 4.09 0.00 -0.60 2.12 -1.26 -4.87 118.70 117.81 2hql s GLU 96 Ca 0.09 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.27 2hql s GLU 96 Cb -0.12 -3.69 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2hql s GLU 96 CO 0.02 -0.64 0.00 -0.89 -0.54 0.00 0.00 175.26 173.21 2hql n ILE 97 N 5.45 0.00 0.00 -3.70 5.41 -1.26 -5.08 119.36 120.18 2hql n ILE 97 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 2hql n ILE 97 Cb 0.48 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 2hql n ILE 97 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2hql n VAL 98 N -1.60 0.00 -4.05 1.39 3.14 -1.26 -5.18 118.33 110.77 2hql n VAL 98 Ca 0.00 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.15 2hql n VAL 98 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 2hql n VAL 98 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2hql s ILE 99 N 0.00 4.77 -0.03 1.55 -1.09 -1.26 -5.12 121.20 120.01 2hql s ILE 99 Ca 0.00 -1.13 -0.31 0.00 -2.23 0.00 0.00 60.65 56.99 2hql s ILE 99 Cb 0.00 -3.53 0.12 0.00 -1.58 0.00 0.00 42.46 37.47 2hql s ILE 99 CO 0.00 -0.25 1.19 -0.62 -1.23 0.00 0.00 174.94 174.03 2hql s ASP 100 N -3.60 -0.12 0.23 3.58 -1.08 -1.26 -5.20 116.67 109.22 2hql s ASP 100 Ca 0.33 -0.13 0.01 0.00 -0.52 0.00 0.00 52.55 52.23 2hql s ASP 100 Cb -0.09 0.23 -0.04 0.00 -1.46 0.00 0.00 42.92 41.56 2hql s ASP 100 CO 0.26 -0.40 0.17 -0.72 0.52 0.00 0.00 175.17 175.00 2hql s TYR 101 N -2.61 1.29 0.18 -5.34 1.13 -1.26 -5.17 117.35 105.56 2hql s TYR 101 Ca 0.12 -1.44 0.01 0.00 -1.41 0.00 0.00 57.07 54.35 2hql s TYR 101 Cb 0.02 -0.58 0.01 0.00 -1.10 0.00 0.00 41.96 40.31 2hql s TYR 101 CO -0.03 -0.71 0.06 1.63 -2.51 0.00 0.00 175.55 173.99 2hql n LYS 102 N -0.36 1.42 -2.83 -3.49 4.76 -1.26 -5.11 118.16 111.29 2hql n LYS 102 Ca 0.03 -1.21 -0.11 0.00 -2.87 0.00 0.00 58.31 54.15 2hql n LYS 102 Cb 0.65 0.24 0.05 0.00 -1.84 0.00 0.00 35.03 34.13 2hql n LYS 102 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2hql n GLU 103 N -0.66 1.08 0.00 1.97 -0.58 -1.26 -5.36 120.64 115.83 2hql n GLU 103 Ca -0.04 -2.57 0.00 0.00 -0.42 0.00 0.00 57.16 54.12 2hql n GLU 103 Cb 0.21 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 2hql n GLU 103 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76