#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hl3 s HIS 17 N 0.00 1.39 0.21 0.66 0.09 -1.26 -5.05 115.29 111.33 2hl3 s HIS 17 Ca 0.00 -0.31 -0.09 0.00 -0.00 0.00 0.00 55.06 54.66 2hl3 s HIS 17 Cb 0.00 -0.91 0.15 0.00 -0.00 0.00 0.00 32.58 31.81 2hl3 s HIS 17 CO 0.00 -0.06 1.80 1.98 -0.00 0.00 0.00 174.74 178.45 2hl3 h MET 18 N 5.95 1.10 0.00 1.40 4.05 -2.09 -3.57 114.93 121.77 2hl3 h MET 18 Ca -0.34 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2hl3 h MET 18 Cb 1.16 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2hl3 h MET 18 CO 0.48 0.85 0.00 0.43 0.23 0.00 0.00 176.91 178.91 2hl3 n SER 19 N -4.39 0.00 -0.33 1.39 7.64 -1.26 -5.21 113.62 111.46 2hl3 n SER 19 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2hl3 n SER 19 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2hl3 n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2hl3 n PRO 26 N 0.00 0.00 -2.73 1.43 -0.04 -1.26 -5.27 135.00 127.13 2hl3 n PRO 26 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2hl3 n PRO 26 Cb 0.00 -0.33 -0.03 0.00 -0.04 0.00 0.00 33.50 33.10 2hl3 n PRO 26 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2hl3 s LEU 27 N -2.31 4.32 0.04 1.53 2.96 -1.26 -5.03 118.68 118.93 2hl3 s LEU 27 Ca 0.00 1.57 0.08 0.00 -0.22 0.00 0.00 54.13 55.56 2hl3 s LEU 27 Cb 0.00 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 2hl3 s LEU 27 CO 0.00 -0.31 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.36 2hl3 s ARG 28 N 1.34 1.93 0.23 1.98 0.52 -1.26 -5.09 118.95 118.59 2hl3 s ARG 28 Ca 0.49 -1.05 -0.31 0.00 -0.52 0.00 0.00 55.73 54.34 2hl3 s ARG 28 Cb -0.20 -2.06 -0.14 0.00 0.52 0.00 0.00 34.95 33.07 2hl3 s ARG 28 CO 0.24 0.53 1.39 0.28 0.02 0.00 0.00 175.30 177.75 2hl3 n VAL 29 N 1.75 0.95 -0.03 3.52 0.31 -1.26 -2.47 118.33 121.10 2hl3 n VAL 29 Ca -0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2hl3 n VAL 29 Cb 0.52 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2hl3 n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hl3 n GLY 30 N 2.14 0.74 3.77 2.92 0.00 -1.26 -5.05 105.19 108.45 2hl3 n GLY 30 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2hl3 n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hl3 s SER 31 N -2.55 6.88 0.08 1.61 0.01 -1.03 -5.02 113.70 113.68 2hl3 s SER 31 Ca 0.00 2.14 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 2hl3 s SER 31 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2hl3 s SER 31 CO 0.00 -0.41 1.00 -0.13 0.41 0.00 0.00 173.24 174.11 2hl3 s ARG 32 N -2.15 4.63 0.14 12.44 1.81 -1.26 -5.04 118.95 129.52 2hl3 s ARG 32 Ca 0.54 1.49 -0.03 0.00 -1.72 0.00 0.00 55.73 56.01 2hl3 s ARG 32 Cb -0.26 -3.39 -0.03 0.00 -0.45 0.00 0.00 34.95 30.82 2hl3 s ARG 32 CO 0.33 0.09 0.11 0.14 -0.68 0.00 0.00 175.30 175.29 2hl3 s VAL 33 N 0.33 0.09 -0.15 3.52 -7.23 -1.26 -5.13 120.40 110.57 2hl3 s VAL 33 Ca 0.49 -1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 2hl3 s VAL 33 Cb -0.24 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2hl3 s VAL 33 CO 0.30 -0.41 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.88 2hl3 s GLU 34 N -4.03 3.47 -0.21 4.82 2.56 -1.26 -5.10 118.70 118.93 2hl3 s GLU 34 Ca 0.23 -0.63 -0.11 0.00 0.00 0.00 0.00 54.97 54.46 2hl3 s GLU 34 Cb 0.07 -2.76 -0.05 0.00 2.00 0.00 0.00 34.13 33.38 2hl3 s GLU 34 CO 0.02 0.17 0.18 0.08 -0.56 0.00 0.00 175.26 175.14 2hl3 s VAL 35 N 0.50 5.37 -0.35 3.70 1.01 -1.26 -5.06 120.40 124.31 2hl3 s VAL 35 Ca -0.07 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 2hl3 s VAL 35 Cb -0.15 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2hl3 s VAL 35 CO 0.04 0.38 0.39 -0.63 0.00 0.00 0.00 175.10 175.28 2hl3 s ILE 36 N 0.73 5.14 0.00 2.22 -1.09 -1.26 -5.06 121.20 121.88 2hl3 s ILE 36 Ca 0.09 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2hl3 s ILE 36 Cb -0.12 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 2hl3 s ILE 36 CO 0.02 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.21 2hl3 n GLY 37 N 4.93 0.52 3.75 6.18 0.00 -1.26 -5.01 105.19 114.31 2hl3 n GLY 37 Ca -0.08 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 2hl3 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hl3 s LYS 38 N 0.93 4.27 0.72 1.61 2.47 -1.26 -5.04 119.74 123.43 2hl3 s LYS 38 Ca 0.00 2.32 -0.11 0.00 -1.56 0.00 0.00 55.97 56.61 2hl3 s LYS 38 Cb 0.00 -3.09 0.02 0.00 -1.46 0.00 0.00 37.83 33.31 2hl3 s LYS 38 CO 0.00 -0.39 1.09 0.20 0.16 0.00 0.00 175.35 176.41 2hl3 s GLY 39 N 0.17 1.63 -0.04 5.54 0.00 -1.26 -5.09 107.32 108.26 2hl3 s GLY 39 Ca 0.57 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.01 2hl3 s GLY 39 CO 0.47 0.09 -0.06 0.30 0.00 0.00 0.00 173.10 173.89 2hl3 s HIS 40 N -3.30 0.85 0.51 1.90 0.09 -1.26 -5.14 115.29 108.95 2hl3 s HIS 40 Ca 0.59 -0.25 -0.17 0.00 -0.00 0.00 0.00 55.06 55.23 2hl3 s HIS 40 Cb -0.12 -0.70 -0.08 0.00 -0.00 0.00 0.00 32.58 31.69 2hl3 s HIS 40 CO 0.52 -0.18 0.99 1.03 -0.00 0.00 0.00 174.74 177.11 2hl3 s ARG 41 N 0.72 3.90 0.08 1.40 0.52 -1.26 -4.96 118.95 119.35 2hl3 s ARG 41 Ca -0.10 1.01 -0.14 0.00 -0.52 0.00 0.00 55.73 55.97 2hl3 s ARG 41 Cb -0.13 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.26 2hl3 s ARG 41 CO 0.01 -0.31 0.65 0.41 0.02 0.00 0.00 175.30 176.07 2hl3 n GLY 42 N -1.40 0.76 3.02 -3.53 0.00 -1.26 -1.05 105.19 101.74 2hl3 n GLY 42 Ca 0.07 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 2hl3 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hl3 s THR 43 N -2.22 1.30 -0.02 2.61 2.01 0.23 -4.94 115.64 114.62 2hl3 s THR 43 Ca 0.15 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2hl3 s THR 43 Cb -0.01 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.23 2hl3 s THR 43 CO 0.02 0.40 1.59 -0.69 -0.69 0.00 0.00 174.62 175.26 2hl3 s VAL 44 N 1.01 3.50 -0.09 3.82 1.01 -1.26 -0.77 120.40 127.62 2hl3 s VAL 44 Ca -0.07 0.75 0.20 0.00 0.00 0.00 0.00 61.98 62.87 2hl3 s VAL 44 Cb -0.15 -3.49 -0.31 0.00 0.00 0.00 0.00 36.38 32.44 2hl3 s VAL 44 CO -0.01 -0.04 0.47 0.00 0.00 0.00 0.00 175.10 175.52 2hl3 n ALA 45 N 6.41 2.87 -3.54 5.51 0.00 0.27 -4.91 120.51 127.12 2hl3 n ALA 45 Ca 0.16 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 2hl3 n ALA 45 Cb 0.42 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 2hl3 n ALA 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2hl3 s TYR 46 N -3.37 -0.69 -0.04 0.00 5.04 -0.86 -4.88 117.35 112.54 2hl3 s TYR 46 Ca -0.06 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.15 2hl3 s TYR 46 Cb 0.13 0.30 0.02 0.00 0.35 0.00 0.00 41.96 42.76 2hl3 s TYR 46 CO 0.84 -0.35 -0.05 0.08 -1.34 0.00 0.00 175.55 174.74 2hl3 s VAL 47 N 0.74 0.54 -5.00 3.14 1.01 -1.26 -0.61 120.40 118.96 2hl3 s VAL 47 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2hl3 s VAL 47 Cb -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2hl3 s VAL 47 CO -0.05 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2hl3 n GLY 48 N 4.04 0.49 3.80 4.51 0.00 -0.83 -4.98 105.19 112.22 2hl3 n GLY 48 Ca -0.25 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 2hl3 n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hl3 s MET 49 N -2.00 2.69 0.23 1.61 -1.94 -1.26 -1.40 119.30 117.23 2hl3 s MET 49 Ca 0.00 1.03 0.04 0.00 -1.71 0.00 0.00 55.69 55.06 2hl3 s MET 49 Cb 0.00 -1.96 -0.02 0.00 2.01 0.00 0.00 34.83 34.87 2hl3 s MET 49 CO 0.00 -1.30 0.22 0.25 -0.01 0.00 0.00 175.02 174.18 2hl3 n THR 50 N -3.27 0.00 0.20 2.05 -2.24 -1.26 -4.89 114.28 104.87 2hl3 n THR 50 Ca 0.08 -1.64 0.07 0.00 -2.27 0.00 0.00 64.05 60.29 2hl3 n THR 50 Cb 0.53 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 2hl3 n THR 50 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2hl3 n LEU 51 N 0.00 0.21 0.07 3.22 4.77 -1.26 -4.45 117.00 119.55 2hl3 n LEU 51 Ca 0.05 -0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.01 2hl3 n LEU 51 Cb 0.42 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.99 2hl3 n LEU 51 CO 0.22 0.05 0.90 2.22 -1.33 0.00 0.00 177.39 179.45 2hl3 n PHE 52 N -1.79 0.60 -3.57 -1.77 -1.74 -1.26 -4.90 117.46 103.03 2hl3 n PHE 52 Ca -0.01 0.17 -0.06 0.00 -0.56 0.00 0.00 57.45 56.99 2hl3 n PHE 52 Cb 0.33 -0.78 -0.02 0.00 1.52 0.00 0.00 39.48 40.53 2hl3 n PHE 52 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2hl3 s ALA 53 N -3.07 -1.85 0.76 1.98 0.00 -1.26 -5.17 121.76 113.16 2hl3 s ALA 53 Ca 0.12 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 2hl3 s ALA 53 Cb 0.15 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.70 2hl3 s ALA 53 CO 0.58 -0.76 1.10 0.95 0.00 0.00 0.00 175.76 177.63 2hl3 s THR 54 N -3.02 3.16 0.00 0.00 -4.23 -1.26 -4.37 115.64 105.92 2hl3 s THR 54 Ca 0.07 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2hl3 s THR 54 Cb -0.01 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2hl3 s THR 54 CO -0.06 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2hl3 n GLY 55 N -2.52 -0.91 3.72 3.99 0.00 -1.26 -4.88 105.19 103.33 2hl3 n GLY 55 Ca 0.07 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2hl3 n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hl3 s LYS 56 N -1.17 4.45 0.19 1.61 2.20 -1.26 -4.19 119.74 121.57 2hl3 s LYS 56 Ca 0.00 1.77 0.11 0.00 -0.36 0.00 0.00 55.97 57.49 2hl3 s LYS 56 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2hl3 s LYS 56 CO 0.00 -0.22 -0.23 -1.58 -0.36 0.00 0.00 175.35 172.96 2hl3 s TRP 57 N 0.89 2.25 -0.19 4.03 0.52 -0.49 -4.55 118.94 121.41 2hl3 s TRP 57 Ca 0.58 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.34 2hl3 s TRP 57 Cb -0.29 -1.11 0.03 0.00 -1.15 0.00 0.00 33.47 30.95 2hl3 s TRP 57 CO 0.30 0.49 -0.16 0.08 0.02 0.00 0.00 176.95 177.68 2hl3 s VAL 58 N -1.75 1.93 -0.24 4.03 1.01 1.00 -1.96 120.40 124.42 2hl3 s VAL 58 Ca 0.21 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2hl3 s VAL 58 Cb -0.08 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2hl3 s VAL 58 CO 0.10 0.40 0.24 -0.83 0.00 0.00 0.00 175.10 175.00 2hl3 s GLY 59 N 1.32 1.98 0.02 4.51 0.00 0.22 -0.47 107.32 114.90 2hl3 s GLY 59 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 43.96 2hl3 s GLY 59 CO -0.11 0.59 -0.17 0.14 0.00 0.00 0.00 173.10 173.55 2hl3 s VAL 60 N 1.34 1.34 -0.41 1.40 1.01 0.48 -0.57 120.40 124.98 2hl3 s VAL 60 Ca 0.11 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2hl3 s VAL 60 Cb -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2hl3 s VAL 60 CO 0.07 0.19 0.38 -0.63 0.00 0.00 0.00 175.10 175.11 2hl3 s ILE 61 N -0.66 5.15 0.39 2.22 1.01 0.05 -1.68 121.20 127.68 2hl3 s ILE 61 Ca 0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 2hl3 s ILE 61 Cb -0.08 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 2hl3 s ILE 61 CO 0.01 -0.35 0.99 -0.76 0.00 0.00 0.00 174.94 174.83 2hl3 s LEU 62 N 1.98 4.14 0.22 2.97 1.43 0.10 -0.60 118.68 128.92 2hl3 s LEU 62 Ca 0.10 1.88 -0.09 0.00 -1.03 0.00 0.00 54.13 54.99 2hl3 s LEU 62 Cb -0.18 -4.24 0.19 0.00 0.03 0.00 0.00 46.19 41.99 2hl3 s LEU 62 CO 0.12 -0.34 1.89 0.44 0.23 0.00 0.00 176.35 178.69 2hl3 h ASP 63 N 2.52 0.98 -2.96 2.29 3.32 -1.41 -3.43 116.42 117.73 2hl3 h ASP 63 Ca -0.48 -0.04 -0.59 0.00 0.02 0.00 0.00 57.03 55.94 2hl3 h ASP 63 Cb 1.20 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2hl3 h ASP 63 CO 0.63 0.72 -0.42 -1.61 -1.72 0.00 0.00 179.24 176.84 2hl3 s GLU 64 N -6.08 3.50 -0.48 3.56 2.02 -1.26 -4.98 118.70 114.98 2hl3 s GLU 64 Ca -0.13 -0.33 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 2hl3 s GLU 64 Cb 0.16 -2.95 -0.13 0.00 0.10 0.00 0.00 34.13 31.30 2hl3 s GLU 64 CO 0.80 0.54 2.55 0.00 0.02 0.00 0.00 175.26 179.17 2hl3 n ALA 65 N 0.07 5.11 -1.07 5.21 0.00 -1.26 -4.25 120.51 124.33 2hl3 n ALA 65 Ca -0.04 -1.78 0.07 0.00 0.00 0.00 0.00 53.44 51.69 2hl3 n ALA 65 Cb 0.52 -2.65 0.23 0.00 0.00 0.00 0.00 19.45 17.56 2hl3 n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hl3 n LYS 66 N 3.23 2.53 0.00 0.00 4.76 -0.85 -4.74 118.16 123.08 2hl3 n LYS 66 Ca 0.41 -2.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.00 2hl3 n LYS 66 Cb 0.44 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 2hl3 n LYS 66 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hl3 n GLY 67 N -0.74 2.40 0.00 0.72 0.00 0.25 -5.01 105.19 102.80 2hl3 n GLY 67 Ca 0.22 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2hl3 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hl3 n LYS 68 N 0.00 0.50 -3.09 1.61 5.02 0.11 -4.75 118.16 117.56 2hl3 n LYS 68 Ca 0.00 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2hl3 n LYS 68 Cb 0.00 -0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2hl3 n LYS 68 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2hl3 n ASN 69 N -1.49 -0.46 -0.81 4.39 0.23 0.02 -4.82 115.26 112.31 2hl3 n ASN 69 Ca -0.00 -2.11 0.02 0.00 -0.53 0.00 0.00 54.58 51.96 2hl3 n ASN 69 Cb 0.02 1.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.92 2hl3 n ASN 69 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2hl3 n ASP 70 N -2.20 2.26 0.00 0.53 5.68 -1.26 -0.54 116.55 121.02 2hl3 n ASP 70 Ca 0.03 -3.70 0.00 0.00 -0.50 0.00 0.00 54.79 50.62 2hl3 n ASP 70 Cb 0.32 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2hl3 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hl3 n GLY 71 N -1.11 0.84 3.38 6.12 0.00 -1.26 -2.39 105.19 110.77 2hl3 n GLY 71 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 2hl3 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hl3 s THR 72 N -2.25 3.39 -0.06 2.61 2.01 -1.26 -0.73 115.64 119.35 2hl3 s THR 72 Ca 0.00 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.49 2hl3 s THR 72 Cb 0.00 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 70.04 2hl3 s THR 72 CO 0.00 0.48 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 2hl3 s VAL 73 N 0.77 0.85 -1.36 3.82 1.01 -0.50 -4.83 120.40 120.17 2hl3 s VAL 73 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2hl3 s VAL 73 Cb -0.15 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2hl3 s VAL 73 CO 0.02 0.30 0.50 0.00 0.00 0.00 0.00 175.10 175.92 2hl3 n GLN 74 N 4.10 -3.29 -0.95 2.72 6.02 -1.26 -2.12 117.38 122.60 2hl3 n GLN 74 Ca -0.22 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2hl3 n GLN 74 Cb 0.51 -4.57 0.00 0.00 1.02 0.00 0.00 30.24 27.20 2hl3 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hl3 n GLY 75 N -1.89 0.24 3.32 1.08 0.00 -1.26 -5.00 105.19 101.68 2hl3 n GLY 75 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 2hl3 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hl3 s ARG 76 N -1.08 3.18 -0.30 1.61 6.06 -0.90 -5.10 118.95 122.42 2hl3 s ARG 76 Ca 0.00 -0.77 -0.18 0.00 -2.50 0.00 0.00 55.73 52.28 2hl3 s ARG 76 Cb 0.00 -2.48 -0.02 0.00 0.06 0.00 0.00 34.95 32.51 2hl3 s ARG 76 CO 0.00 0.23 0.52 0.21 -2.50 0.00 0.00 175.30 173.76 2hl3 s LYS 77 N 0.26 3.90 -0.13 5.12 2.20 -1.26 -1.41 119.74 128.43 2hl3 s LYS 77 Ca -0.12 0.15 0.15 0.00 -0.36 0.00 0.00 55.97 55.79 2hl3 s LYS 77 Cb -0.16 -3.71 -0.22 0.00 -1.51 0.00 0.00 37.83 32.23 2hl3 s LYS 77 CO 0.06 -0.47 0.14 0.66 -0.36 0.00 0.00 175.35 175.39 2hl3 n TYR 78 N 5.64 0.00 -3.80 4.03 4.01 0.09 -4.99 117.16 122.14 2hl3 n TYR 78 Ca -0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.64 2hl3 n TYR 78 Cb 0.49 -0.70 0.02 0.00 -0.31 0.00 0.00 39.34 38.85 2hl3 n TYR 78 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 2hl3 n PHE 79 N -2.48 -1.85 -4.55 -0.72 -1.74 -0.91 -4.84 117.46 100.39 2hl3 n PHE 79 Ca -0.20 -1.49 -0.23 0.00 -0.56 0.00 0.00 57.45 54.97 2hl3 n PHE 79 Cb 0.88 0.74 -0.16 0.00 1.52 0.00 0.00 39.48 42.46 2hl3 n PHE 79 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2hl3 s THR 80 N -2.13 1.02 0.37 1.97 2.01 -1.26 -4.10 115.64 113.53 2hl3 s THR 80 Ca 0.18 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.54 2hl3 s THR 80 Cb -0.04 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.63 2hl3 s THR 80 CO 0.08 0.31 0.81 0.00 -0.69 0.00 0.00 174.62 175.14 2hl3 s ASP 82 N -3.10 5.58 0.27 0.00 1.01 -1.26 -4.72 116.67 114.45 2hl3 s ASP 82 Ca 0.16 1.69 -0.31 0.00 0.71 0.00 0.00 52.55 54.80 2hl3 s ASP 82 Cb -0.05 -2.51 -0.13 0.00 1.01 0.00 0.00 42.92 41.24 2hl3 s ASP 82 CO 0.11 -1.31 1.46 -0.62 0.21 0.00 0.00 175.17 175.03 2hl3 n GLU 83 N -2.67 2.28 -0.95 8.23 -0.58 -1.26 -1.82 120.64 123.86 2hl3 n GLU 83 Ca 0.08 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 2hl3 n GLU 83 Cb 0.53 -2.50 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 2hl3 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hl3 n GLY 84 N 2.04 0.74 0.05 0.62 0.00 -1.08 -4.88 105.19 102.69 2hl3 n GLY 84 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 2hl3 n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hl3 n HIS 85 N -2.23 0.40 -3.20 1.61 8.25 -0.76 0.84 115.22 120.14 2hl3 n HIS 85 Ca 0.00 0.12 -0.37 0.00 -0.26 0.00 0.00 57.72 57.20 2hl3 n HIS 85 Cb 0.02 -0.71 -0.06 0.00 1.12 0.00 0.00 29.99 30.36 2hl3 n HIS 85 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2hl3 s GLY 86 N -4.51 2.65 -0.10 -1.41 0.00 0.30 0.01 107.32 104.26 2hl3 s GLY 86 Ca -0.05 0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.60 2hl3 s GLY 86 CO 0.86 0.48 0.39 -1.50 0.00 0.00 0.00 173.10 173.33 2hl3 s ILE 87 N -1.30 0.02 -0.16 0.90 2.07 -0.67 0.05 121.20 122.10 2hl3 s ILE 87 Ca 0.36 -0.16 -0.02 0.00 -1.41 0.00 0.00 60.65 59.42 2hl3 s ILE 87 Cb -0.18 -0.61 -0.01 0.00 0.13 0.00 0.00 42.46 41.78 2hl3 s ILE 87 CO 0.21 -0.09 -0.10 -0.36 -1.91 0.00 0.00 174.94 172.69 2hl3 s PHE 88 N -0.42 2.88 0.19 3.50 0.08 -1.26 -0.39 117.98 122.57 2hl3 s PHE 88 Ca -0.05 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.25 2hl3 s PHE 88 Cb -0.03 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.43 2hl3 s PHE 88 CO 0.02 -0.33 0.05 0.14 -0.10 0.00 0.00 175.22 175.01 2hl3 s VAL 89 N 0.75 0.47 0.55 -0.44 -7.23 0.38 -4.92 120.40 109.96 2hl3 s VAL 89 Ca -0.04 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 2hl3 s VAL 89 Cb -0.15 -2.28 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 2hl3 s VAL 89 CO 0.02 -0.30 1.01 -0.13 -0.31 0.00 0.00 175.10 175.39 2hl3 s ARG 90 N -4.00 3.70 0.56 4.82 1.81 -1.26 -0.00 118.95 124.58 2hl3 s ARG 90 Ca 0.29 1.03 0.24 0.00 -1.72 0.00 0.00 55.73 55.57 2hl3 s ARG 90 Cb 0.07 -2.10 1.56 0.00 -0.45 0.00 0.00 34.95 34.04 2hl3 s ARG 90 CO 0.07 -0.48 2.19 0.37 -0.68 0.00 0.00 175.30 176.76 2hl3 h GLN 91 N 0.67 0.00 0.00 3.54 4.15 -1.93 0.64 115.11 122.19 2hl3 h GLN 91 Ca -0.47 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 2hl3 h GLN 91 Cb 1.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 2hl3 h GLN 91 CO 0.60 0.00 -0.07 0.66 -1.93 0.00 0.00 178.83 178.09 2hl3 h SER 92 N 0.00 0.00 -0.26 -0.69 4.64 -1.97 -1.75 113.55 113.53 2hl3 h SER 92 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2hl3 h SER 92 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2hl3 h SER 92 CO -0.00 0.07 0.00 1.67 -0.87 0.00 0.00 176.83 177.70 2hl3 n GLN 93 N -3.68 1.68 -4.59 4.77 7.27 0.22 -4.88 117.38 118.17 2hl3 n GLN 93 Ca -0.02 -1.05 -0.34 0.00 0.07 0.00 0.00 57.00 55.66 2hl3 n GLN 93 Cb 0.18 -1.28 -0.12 0.00 2.41 0.00 0.00 30.24 31.43 2hl3 n GLN 93 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2hl3 s ILE 94 N -1.66 3.63 -0.11 1.69 -1.09 -0.66 -5.00 121.20 117.99 2hl3 s ILE 94 Ca 0.24 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 2hl3 s ILE 94 Cb 0.12 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.50 2hl3 s ILE 94 CO 0.17 0.55 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.70 2hl3 s GLN 95 N -0.23 2.27 0.16 2.79 0.74 -1.26 -5.04 119.66 119.09 2hl3 s GLN 95 Ca 0.03 -0.58 -0.26 0.00 0.05 0.00 0.00 55.36 54.61 2hl3 s GLN 95 Cb -0.13 -1.94 -0.08 0.00 1.10 0.00 0.00 33.01 31.97 2hl3 s GLN 95 CO 0.03 -0.08 0.79 0.08 -0.55 0.00 0.00 175.29 175.56 2hl3 s VAL 96 N 1.02 4.38 -2.00 1.34 1.01 -1.26 -5.10 120.40 119.79 2hl3 s VAL 96 Ca -0.06 1.72 0.20 0.00 0.00 0.00 0.00 61.98 63.85 2hl3 s VAL 96 Cb -0.15 -4.15 0.56 0.00 0.00 0.00 0.00 36.38 32.65 2hl3 s VAL 96 CO -0.02 0.51 1.57 0.49 0.00 0.00 0.00 175.10 177.65