#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm3 s ILE 18 N 0.00 3.25 -0.14 1.59 -4.36 0.14 -4.90 121.20 116.79 1wm3 s ILE 18 Ca 0.00 -1.72 -0.15 0.00 -0.26 0.00 0.00 60.65 58.52 1wm3 s ILE 18 Cb 0.00 -2.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.02 1wm3 s ILE 18 CO 0.00 -0.17 0.35 0.20 0.24 0.00 0.00 174.94 175.56 1wm3 s ASN 19 N -3.02 6.53 0.07 4.36 0.01 -1.26 -1.32 114.94 120.30 1wm3 s ASN 19 Ca 0.26 0.62 0.06 0.00 -0.71 0.00 0.00 52.86 53.10 1wm3 s ASN 19 Cb -0.08 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 1wm3 s ASN 19 CO 0.16 0.09 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.91 1wm3 s LEU 20 N 0.41 2.24 -0.07 0.60 1.43 0.02 0.37 118.68 123.68 1wm3 s LEU 20 Ca 0.20 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1wm3 s LEU 20 Cb -0.14 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1wm3 s LEU 20 CO 0.06 0.02 0.06 -0.54 0.23 0.00 0.00 176.35 176.18 1wm3 s LYS 21 N -1.56 3.13 -0.26 1.70 1.02 -0.36 -1.04 119.74 122.36 1wm3 s LYS 21 Ca 0.02 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1wm3 s LYS 21 Cb -0.09 -2.92 0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1wm3 s LYS 21 CO 0.02 0.70 -0.07 0.08 -0.92 0.00 0.00 175.35 175.17 1wm3 s VAL 22 N -1.03 2.61 -0.22 3.17 1.01 0.67 -0.27 120.40 126.34 1wm3 s VAL 22 Ca 0.17 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 1wm3 s VAL 22 Cb -0.12 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1wm3 s VAL 22 CO 0.07 0.08 0.04 0.00 0.00 0.00 0.00 175.10 175.29 1wm3 s ALA 23 N 1.23 3.16 0.54 5.51 0.00 0.02 -1.39 121.76 130.85 1wm3 s ALA 23 Ca -0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1wm3 s ALA 23 Cb -0.18 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1wm3 s ALA 23 CO -0.05 -0.23 0.81 0.20 0.00 0.00 0.00 175.76 176.49 1wm3 s GLY 24 N 1.15 1.62 0.49 0.00 0.00 -0.16 -1.66 107.32 108.77 1wm3 s GLY 24 Ca 0.04 -0.91 0.32 0.00 0.00 0.00 0.00 44.72 44.17 1wm3 s GLY 24 CO 0.03 -0.66 1.96 1.46 0.00 0.00 0.00 173.10 175.89 1wm3 h GLN 25 N 0.02 0.00 0.00 2.90 4.20 -1.89 -1.45 115.11 118.89 1wm3 h GLN 25 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1wm3 h GLN 25 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1wm3 h GLN 25 CO 0.58 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.34 1wm3 n ASP 26 N -2.83 0.00 0.00 1.46 3.85 -1.26 -4.89 116.55 112.87 1wm3 n ASP 26 Ca 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 54.79 53.29 1wm3 n ASP 26 Cb 0.23 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1wm3 n ASP 26 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wm3 n GLY 27 N 0.94 1.04 3.77 6.12 0.00 -0.54 -5.05 105.19 111.47 1wm3 n GLY 27 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1wm3 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wm3 s SER 28 N -2.85 6.35 -0.14 1.61 1.04 -1.26 -4.79 113.70 113.65 1wm3 s SER 28 Ca 0.00 2.92 -0.01 0.00 0.48 0.00 0.00 55.95 59.34 1wm3 s SER 28 Cb 0.00 -2.66 0.04 0.00 0.10 0.00 0.00 66.02 63.50 1wm3 s SER 28 CO 0.00 -0.86 -0.05 -0.69 0.98 0.00 0.00 173.24 172.63 1wm3 s VAL 29 N -1.15 0.97 -0.01 5.02 1.01 -1.26 -0.99 120.40 123.99 1wm3 s VAL 29 Ca 0.54 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.12 1wm3 s VAL 29 Cb -0.44 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1wm3 s VAL 29 CO 0.59 0.19 -0.18 -0.69 0.00 0.00 0.00 175.10 175.00 1wm3 s VAL 30 N 1.70 2.76 -0.01 2.92 1.01 -0.48 -4.92 120.40 123.38 1wm3 s VAL 30 Ca 0.02 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wm3 s VAL 30 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1wm3 s VAL 30 CO -0.08 0.50 0.00 -1.10 0.00 0.00 0.00 175.10 174.43 1wm3 s GLN 31 N -0.94 2.80 0.10 2.72 -0.21 -1.26 -0.24 119.66 122.63 1wm3 s GLN 31 Ca 0.12 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 54.92 1wm3 s GLN 31 Cb -0.10 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 1wm3 s GLN 31 CO 0.02 0.63 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.70 1wm3 s PHE 32 N -1.08 0.90 -0.01 0.91 0.40 -0.20 -5.00 117.98 113.90 1wm3 s PHE 32 Ca 0.19 -0.93 0.06 0.00 -0.60 0.00 0.00 56.93 55.65 1wm3 s PHE 32 Cb -0.12 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 42.88 1wm3 s PHE 32 CO 0.10 -0.17 -0.18 -1.59 0.70 0.00 0.00 175.22 174.08 1wm3 s LYS 33 N -3.85 1.48 -0.14 0.44 -2.85 -1.26 -0.80 119.74 112.76 1wm3 s LYS 33 Ca 0.13 -0.66 -0.16 0.00 -1.00 0.00 0.00 55.97 54.27 1wm3 s LYS 33 Cb 0.05 -1.44 0.04 0.00 -2.06 0.00 0.00 37.83 34.43 1wm3 s LYS 33 CO -0.04 0.39 0.44 -1.50 0.10 0.00 0.00 175.35 174.74 1wm3 s ILE 34 N -0.44 0.01 0.52 3.79 2.07 -0.43 -4.94 121.20 121.77 1wm3 s ILE 34 Ca 0.07 -0.06 -0.19 0.00 -1.41 0.00 0.00 60.65 59.06 1wm3 s ILE 34 Cb -0.07 -0.64 -0.07 0.00 0.13 0.00 0.00 42.46 41.81 1wm3 s ILE 34 CO -0.01 -0.03 1.05 -0.54 -1.91 0.00 0.00 174.94 173.50 1wm3 s LYS 35 N -0.04 3.64 0.47 3.50 1.02 -1.26 -0.68 119.74 126.40 1wm3 s LYS 35 Ca -0.02 1.31 0.22 0.00 0.02 0.00 0.00 55.97 57.50 1wm3 s LYS 35 Cb -0.03 -2.07 1.19 0.00 -0.52 0.00 0.00 37.83 36.39 1wm3 s LYS 35 CO 0.02 -0.56 1.99 0.00 -0.92 0.00 0.00 175.35 175.88 1wm3 h ARG 36 N 1.18 0.00 -0.38 1.68 3.08 -1.95 -2.47 114.38 115.52 1wm3 h ARG 36 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1wm3 h ARG 36 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1wm3 h ARG 36 CO 0.58 0.19 0.00 0.72 -1.07 0.00 0.00 179.97 180.39 1wm3 n HIS 37 N -3.83 0.95 -3.53 3.04 8.25 -1.26 -0.92 115.22 117.93 1wm3 n HIS 37 Ca -0.02 -0.70 -0.38 0.00 -0.26 0.00 0.00 57.72 56.37 1wm3 n HIS 37 Cb 0.29 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 1wm3 n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wm3 s THR 38 N -2.04 5.12 0.33 1.59 2.01 -0.93 -4.95 115.64 116.76 1wm3 s THR 38 Ca 0.38 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 1wm3 s THR 38 Cb 0.27 -3.68 -0.11 0.00 0.01 0.00 0.00 72.50 68.99 1wm3 s THR 38 CO 0.15 0.54 1.49 -2.84 -0.69 0.00 0.00 174.62 173.27 1wm3 s PRO 39 N -0.79 4.16 0.45 4.92 0.02 -1.26 -4.14 135.00 138.37 1wm3 s PRO 39 Ca 0.22 2.49 0.31 0.00 0.02 0.00 0.00 61.00 64.05 1wm3 s PRO 39 Cb -0.16 -3.02 1.52 0.00 0.02 0.00 0.00 34.50 32.87 1wm3 s PRO 39 CO 0.11 -0.51 1.93 -0.07 -0.33 0.00 0.00 177.00 178.14 1wm3 h LEU 40 N 3.87 0.00 -2.25 -5.54 3.38 -1.01 -1.44 115.31 112.32 1wm3 h LEU 40 Ca -0.49 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1wm3 h LEU 40 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wm3 h LEU 40 CO 0.71 0.00 0.12 0.77 0.09 0.00 0.00 178.44 180.12 1wm3 h SER 41 N 0.00 0.00 -0.28 -0.43 4.64 -1.79 0.23 113.55 115.91 1wm3 h SER 41 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1wm3 h SER 41 Cb 0.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 1wm3 h SER 41 CO 0.00 0.00 -0.00 0.50 -0.87 0.00 0.00 176.83 176.46 1wm3 h LYS 42 N 0.00 0.08 -0.30 4.77 3.64 -1.59 -1.31 116.57 121.86 1wm3 h LYS 42 Ca 0.06 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1wm3 h LYS 42 Cb 0.29 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1wm3 h LYS 42 CO -0.00 0.05 -0.05 1.25 -2.27 0.00 0.00 179.45 178.44 1wm3 h LEU 43 N 0.08 0.55 -0.55 5.20 6.46 -1.34 -2.14 115.31 123.57 1wm3 h LEU 43 Ca 0.14 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1wm3 h LEU 43 Cb 0.18 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 1wm3 h LEU 43 CO -0.23 0.77 0.29 0.24 -0.62 0.00 0.00 178.44 178.89 1wm3 h MET 44 N 0.33 0.77 -0.54 1.25 2.86 -0.91 0.93 114.93 119.61 1wm3 h MET 44 Ca 0.08 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1wm3 h MET 44 Cb 0.51 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1wm3 h MET 44 CO 0.02 0.60 0.06 0.87 1.06 0.00 0.00 176.91 179.52 1wm3 h LYS 45 N 0.74 0.92 -0.66 1.72 1.57 -1.25 -1.79 116.57 117.81 1wm3 h LYS 45 Ca 0.19 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1wm3 h LYS 45 Cb 0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1wm3 h LYS 45 CO -0.03 0.90 0.16 0.00 -0.57 0.00 0.00 179.45 179.91 1wm3 h ALA 46 N 0.98 1.04 -0.33 3.86 0.00 -0.98 -1.19 119.26 122.63 1wm3 h ALA 46 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wm3 h ALA 46 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wm3 h ALA 46 CO 0.02 0.63 0.21 -0.92 0.00 0.00 0.00 179.25 179.19 1wm3 h TYR 47 N 0.99 0.42 -0.40 0.00 3.20 -0.67 0.62 116.97 121.13 1wm3 h TYR 47 Ca 0.21 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1wm3 h TYR 47 Cb 0.35 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1wm3 h TYR 47 CO 0.03 0.29 0.18 0.00 -1.64 0.00 0.00 178.16 177.01 1wm3 h GLU 49 N 0.50 0.16 -0.00 0.00 4.81 -0.98 -0.67 114.58 118.41 1wm3 h GLU 49 Ca 0.14 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1wm3 h GLU 49 Cb 0.14 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1wm3 h GLU 49 CO -0.02 0.24 -0.47 0.00 -0.73 0.00 0.00 179.01 178.03 1wm3 h ARG 50 N 0.05 0.01 -0.03 1.92 2.47 -0.74 -3.16 114.38 114.90 1wm3 h ARG 50 Ca 0.04 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1wm3 h ARG 50 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1wm3 h ARG 50 CO -0.00 0.48 -0.06 1.04 0.56 0.00 0.00 179.97 181.99 1wm3 n GLN 51 N -3.98 2.17 -3.17 0.04 1.13 -0.30 -4.96 117.38 108.32 1wm3 n GLN 51 Ca -0.02 -1.79 -0.19 0.00 -1.94 0.00 0.00 57.00 53.07 1wm3 n GLN 51 Cb 0.49 -1.46 0.05 0.00 0.11 0.00 0.00 30.24 29.43 1wm3 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wm3 n GLY 52 N 1.35 -0.26 3.62 1.08 0.00 -0.52 -5.03 105.19 105.43 1wm3 n GLY 52 Ca 0.14 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1wm3 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wm3 s LEU 53 N -5.81 3.00 -0.06 0.99 1.43 -0.37 -5.05 118.68 112.80 1wm3 s LEU 53 Ca 0.38 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1wm3 s LEU 53 Cb -0.17 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1wm3 s LEU 53 CO 0.47 -0.17 -0.13 -0.55 0.23 0.00 0.00 176.35 176.20 1wm3 s SER 54 N -3.69 4.09 0.61 2.29 0.15 -1.26 -4.44 113.70 111.45 1wm3 s SER 54 Ca 0.34 -0.19 0.36 0.00 0.70 0.00 0.00 55.95 57.15 1wm3 s SER 54 Cb -0.02 -0.98 2.02 0.00 -1.71 0.00 0.00 66.02 65.34 1wm3 s SER 54 CO 0.19 0.32 2.28 0.24 1.20 0.00 0.00 173.24 177.47 1wm3 h MET 55 N 5.51 0.00 0.00 5.44 2.86 -1.96 -0.82 114.93 125.96 1wm3 h MET 55 Ca -0.44 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1wm3 h MET 55 Cb 1.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1wm3 h MET 55 CO 0.51 0.01 -0.07 0.00 1.06 0.00 0.00 176.91 178.42 1wm3 h ARG 56 N 0.00 0.00 0.00 1.72 3.08 -2.01 -3.23 114.38 113.94 1wm3 h ARG 56 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wm3 h ARG 56 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1wm3 h ARG 56 CO 0.00 0.07 -0.45 0.00 -1.07 0.00 0.00 179.97 178.52 1wm3 n GLN 57 N -3.94 4.16 -4.37 0.04 10.64 -0.35 -5.03 117.38 118.54 1wm3 n GLN 57 Ca -0.03 -0.01 -0.20 0.00 -1.83 0.00 0.00 57.00 54.94 1wm3 n GLN 57 Cb 0.16 -0.86 -0.10 0.00 -0.86 0.00 0.00 30.24 28.58 1wm3 n GLN 57 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1wm3 s ILE 58 N -1.74 1.89 0.03 -0.39 -4.36 -1.01 -4.35 121.20 111.28 1wm3 s ILE 58 Ca 0.02 -2.23 0.03 0.00 -0.26 0.00 0.00 60.65 58.21 1wm3 s ILE 58 Cb 0.05 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 1wm3 s ILE 58 CO 0.27 -0.54 -0.09 -0.13 0.24 0.00 0.00 174.94 174.69 1wm3 s ARG 59 N -3.56 0.59 -0.07 0.37 1.81 0.42 -4.78 118.95 113.74 1wm3 s ARG 59 Ca 0.23 -0.63 0.04 0.00 -1.72 0.00 0.00 55.73 53.66 1wm3 s ARG 59 Cb -0.02 -0.47 -0.02 0.00 -0.45 0.00 0.00 34.95 33.99 1wm3 s ARG 59 CO 0.08 0.11 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.58 1wm3 s PHE 60 N -0.96 2.64 0.07 -0.53 0.40 -1.26 -0.83 117.98 117.51 1wm3 s PHE 60 Ca -0.04 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1wm3 s PHE 60 Cb -0.08 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1wm3 s PHE 60 CO 0.01 -0.01 -0.11 1.03 0.70 0.00 0.00 175.22 176.83 1wm3 s ARG 61 N -0.34 0.72 -0.15 0.44 0.52 0.05 -1.90 118.95 118.29 1wm3 s ARG 61 Ca 0.03 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1wm3 s ARG 61 Cb -0.13 -0.56 0.04 0.00 0.52 0.00 0.00 34.95 34.82 1wm3 s ARG 61 CO 0.02 0.11 -0.05 0.12 0.02 0.00 0.00 175.30 175.52 1wm3 s PHE 62 N -1.62 1.53 -1.56 -0.53 2.19 -0.33 -0.88 117.98 116.78 1wm3 s PHE 62 Ca -0.03 -0.91 -0.08 0.00 0.33 0.00 0.00 56.93 56.24 1wm3 s PHE 62 Cb -0.08 -1.24 0.07 0.00 -1.31 0.00 0.00 43.02 40.46 1wm3 s PHE 62 CO 0.01 -0.57 0.53 -3.47 1.83 0.00 0.00 175.22 173.56 1wm3 n ASP 63 N 4.92 -1.48 0.00 6.13 4.64 -1.26 -1.22 116.55 128.28 1wm3 n ASP 63 Ca -0.11 -1.04 0.00 0.00 -1.38 0.00 0.00 54.79 52.25 1wm3 n ASP 63 Cb 0.48 -2.76 0.00 0.00 -1.04 0.00 0.00 41.12 37.81 1wm3 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wm3 n GLY 64 N -1.79 1.27 3.70 0.27 0.00 -1.26 -5.02 105.19 102.36 1wm3 n GLY 64 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1wm3 n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wm3 s GLN 65 N -0.24 3.27 0.49 1.61 -2.07 -0.36 -5.05 119.66 117.32 1wm3 s GLN 65 Ca 0.00 -0.36 -0.23 0.00 -1.82 0.00 0.00 55.36 52.95 1wm3 s GLN 65 Cb 0.00 -2.94 -0.06 0.00 -1.09 0.00 0.00 33.01 28.92 1wm3 s GLN 65 CO 0.00 0.62 1.30 -2.14 -1.32 0.00 0.00 175.29 173.75 1wm3 s PRO 66 N -0.62 3.49 -0.24 9.60 0.02 -1.26 -1.19 135.00 144.79 1wm3 s PRO 66 Ca 0.11 2.10 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 1wm3 s PRO 66 Cb -0.12 -2.41 -0.05 0.00 0.02 0.00 0.00 34.50 31.95 1wm3 s PRO 66 CO 0.02 -0.87 0.22 0.42 -0.33 0.00 0.00 177.00 176.46 1wm3 s ILE 67 N -1.36 5.31 0.56 2.83 1.01 -0.80 -4.84 121.20 123.92 1wm3 s ILE 67 Ca 0.66 0.29 -0.00 0.00 0.00 0.00 0.00 60.65 61.61 1wm3 s ILE 67 Cb -0.37 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1wm3 s ILE 67 CO 0.45 0.30 0.80 0.20 0.00 0.00 0.00 174.94 176.69 1wm3 s ASN 68 N 1.21 5.27 0.42 3.58 0.01 -1.26 -4.84 114.94 119.33 1wm3 s ASN 68 Ca 0.10 0.09 0.11 0.00 -0.71 0.00 0.00 52.86 52.45 1wm3 s ASN 68 Cb -0.14 -0.98 0.95 0.00 0.41 0.00 0.00 41.25 41.48 1wm3 s ASN 68 CO 0.06 -1.16 2.00 -0.33 -1.51 0.00 0.00 177.10 176.17 1wm3 h GLU 69 N 0.01 0.47 -0.01 -0.60 5.08 -1.99 -2.67 114.58 114.86 1wm3 h GLU 69 Ca -0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1wm3 h GLU 69 Cb 1.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wm3 h GLU 69 CO 0.54 0.31 -0.04 0.25 -1.00 0.00 0.00 179.01 179.07 1wm3 n THR 70 N -4.47 0.00 -1.86 1.13 -2.24 -1.26 -3.85 114.28 101.72 1wm3 n THR 70 Ca 0.08 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 1wm3 n THR 70 Cb 0.26 1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1wm3 n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wm3 s ASP 71 N -1.13 6.44 0.26 3.42 -0.00 -1.01 -4.70 116.67 119.96 1wm3 s ASP 71 Ca 0.14 2.95 0.08 0.00 -0.00 0.00 0.00 52.55 55.72 1wm3 s ASP 71 Cb 0.10 -2.66 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 1wm3 s ASP 71 CO 0.18 -0.81 0.11 0.42 -0.00 0.00 0.00 175.17 175.07 1wm3 s THR 72 N -0.85 3.92 0.27 -1.27 -4.23 -1.26 -0.48 115.64 111.75 1wm3 s THR 72 Ca 0.54 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1wm3 s THR 72 Cb -0.45 -3.14 0.27 0.00 1.34 0.00 0.00 72.50 70.52 1wm3 s THR 72 CO 0.57 -0.35 1.85 -0.65 -0.54 0.00 0.00 174.62 175.50 1wm3 h PRO 73 N 1.66 1.00 -0.55 3.99 0.11 -1.69 -1.71 132.00 134.80 1wm3 h PRO 73 Ca -0.46 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1wm3 h PRO 73 Cb 1.24 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1wm3 h PRO 73 CO 0.61 0.66 0.11 0.00 -0.21 0.00 0.00 178.00 179.16 1wm3 h ALA 74 N 1.50 0.72 -0.81 -0.75 0.00 -1.32 -0.18 119.26 118.42 1wm3 h ALA 74 Ca 0.46 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wm3 h ALA 74 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1wm3 h ALA 74 CO -0.23 0.45 0.50 1.96 0.00 0.00 0.00 179.25 181.92 1wm3 h GLN 75 N 0.78 1.08 -0.22 0.00 4.20 -1.68 -2.17 115.11 117.11 1wm3 h GLN 75 Ca 0.17 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1wm3 h GLN 75 Cb 0.38 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1wm3 h GLN 75 CO 0.01 0.75 0.00 1.28 -0.67 0.00 0.00 178.83 180.20 1wm3 n LEU 76 N -4.38 1.49 -3.62 1.46 4.77 -0.69 -4.94 117.00 111.08 1wm3 n LEU 76 Ca 0.09 -0.69 -0.25 0.00 -0.03 0.00 0.00 56.01 55.12 1wm3 n LEU 76 Cb 0.06 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1wm3 n LEU 76 CO 0.37 0.34 0.20 -0.62 -1.33 0.00 0.00 177.39 176.35 1wm3 n GLU 77 N 0.26 -7.15 -3.01 3.23 1.02 -0.37 -4.97 120.64 109.64 1wm3 n GLU 77 Ca 0.13 0.78 -0.33 0.00 -0.02 0.00 0.00 57.16 57.71 1wm3 n GLU 77 Cb 0.27 -5.78 -0.06 0.00 -0.02 0.00 0.00 31.44 25.84 1wm3 n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wm3 s MET 78 N -6.34 4.14 0.19 3.49 -1.94 -0.22 -5.03 119.30 113.59 1wm3 s MET 78 Ca 0.58 0.88 0.06 0.00 -1.71 0.00 0.00 55.69 55.51 1wm3 s MET 78 Cb -0.27 -2.42 -0.05 0.00 2.01 0.00 0.00 34.83 34.10 1wm3 s MET 78 CO 0.72 0.13 -0.12 -1.21 -0.01 0.00 0.00 175.02 174.53 1wm3 s GLU 79 N -2.88 1.26 0.12 2.03 2.02 -1.26 -4.73 118.70 115.26 1wm3 s GLU 79 Ca 0.55 -1.56 -0.35 0.00 0.02 0.00 0.00 54.97 53.63 1wm3 s GLU 79 Cb -0.11 -0.95 -0.16 0.00 0.10 0.00 0.00 34.13 33.01 1wm3 s GLU 79 CO 0.17 0.13 1.23 -3.47 0.02 0.00 0.00 175.26 173.34 1wm3 n ASP 80 N -0.34 1.35 -0.07 -0.19 2.03 -1.26 -1.19 116.55 116.88 1wm3 n ASP 80 Ca -0.08 1.13 -0.01 0.00 0.52 0.00 0.00 54.79 56.35 1wm3 n ASP 80 Cb 0.61 -1.18 -0.00 0.00 -0.72 0.00 0.00 41.12 39.82 1wm3 n ASP 80 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wm3 n GLU 81 N 2.09 -0.46 -1.05 -0.67 -0.58 0.16 -4.94 120.64 115.19 1wm3 n GLU 81 Ca 0.17 0.22 -0.30 0.00 -0.42 0.00 0.00 57.16 56.83 1wm3 n GLU 81 Cb 0.21 -3.65 0.14 0.00 -0.57 0.00 0.00 31.44 27.57 1wm3 n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1wm3 s ASP 82 N -2.17 3.50 -0.10 1.62 1.01 -0.33 -4.73 116.67 115.46 1wm3 s ASP 82 Ca 0.00 1.77 0.03 0.00 0.71 0.00 0.00 52.55 55.06 1wm3 s ASP 82 Cb 0.00 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.52 1wm3 s ASP 82 CO 0.00 -2.67 -0.20 -0.89 0.21 0.00 0.00 175.17 171.62 1wm3 s THR 83 N -2.82 2.44 -0.13 -1.27 2.01 -1.26 -1.23 115.64 113.39 1wm3 s THR 83 Ca 0.64 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 1wm3 s THR 83 Cb -0.19 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 1wm3 s THR 83 CO 0.57 0.55 0.30 -0.63 -0.69 0.00 0.00 174.62 174.72 1wm3 s ILE 84 N 0.25 5.28 -0.12 1.82 1.01 0.62 -4.68 121.20 125.38 1wm3 s ILE 84 Ca -0.14 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.96 1wm3 s ILE 84 Cb -0.17 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1wm3 s ILE 84 CO 0.07 0.45 0.27 -1.81 0.00 0.00 0.00 174.94 173.92 1wm3 s ASP 85 N 0.02 6.48 -0.09 3.58 -0.00 -0.06 -0.80 116.67 125.80 1wm3 s ASP 85 Ca 0.18 0.57 0.00 0.00 -0.00 0.00 0.00 52.55 53.30 1wm3 s ASP 85 Cb -0.14 -2.16 -0.03 0.00 -0.00 0.00 0.00 42.92 40.59 1wm3 s ASP 85 CO 0.06 0.22 -0.09 0.54 -0.00 0.00 0.00 175.17 175.90 1wm3 s VAL 86 N -0.18 3.49 0.15 -1.27 0.11 -0.66 -0.77 120.40 121.26 1wm3 s VAL 86 Ca 0.17 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1wm3 s VAL 86 Cb -0.13 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 1wm3 s VAL 86 CO 0.05 0.57 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.90 1wm3 s PHE 87 N -0.39 1.43 -2.00 1.54 0.40 -0.01 -3.97 117.98 114.99 1wm3 s PHE 87 Ca 0.05 -0.62 0.24 0.00 -0.60 0.00 0.00 56.93 56.00 1wm3 s PHE 87 Cb -0.12 -0.72 1.43 0.00 0.51 0.00 0.00 43.02 44.12 1wm3 s PHE 87 CO 0.02 0.18 1.80 0.94 0.70 0.00 0.00 175.22 178.86