#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm4 s ALA 2 N 0.00 3.62 0.46 3.04 0.00 -1.26 -4.89 121.76 122.74 1wm4 s ALA 2 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1wm4 s ALA 2 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1wm4 s ALA 2 CO 0.00 0.13 0.00 2.41 0.00 0.00 0.00 175.76 178.30 1wm4 n THR 3 N 3.46 -5.08 -3.72 0.00 -1.04 -1.26 -4.99 114.28 101.65 1wm4 n THR 3 Ca -0.13 2.27 -0.23 0.00 -2.04 0.00 0.00 64.05 63.92 1wm4 n THR 3 Cb 0.52 -3.11 -0.18 0.00 -1.82 0.00 0.00 70.33 65.74 1wm4 n THR 3 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1wm4 s LYS 4 N -3.63 0.34 -0.02 -2.82 2.20 -1.26 -5.13 119.74 109.42 1wm4 s LYS 4 Ca 0.00 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 1wm4 s LYS 4 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 37.83 35.29 1wm4 s LYS 4 CO 0.00 -0.38 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.05 1wm4 s ILE 5 N 2.04 3.66 -0.46 5.43 2.07 -1.26 -2.37 121.20 130.32 1wm4 s ILE 5 Ca 0.04 -0.67 -0.02 0.00 -1.41 0.00 0.00 60.65 58.59 1wm4 s ILE 5 Cb -0.13 -2.56 0.29 0.00 0.13 0.00 0.00 42.46 40.19 1wm4 s ILE 5 CO -0.05 0.47 2.07 0.47 -1.91 0.00 0.00 174.94 175.99 1wm4 n ASP 6 N 1.79 6.92 0.03 4.50 9.92 -1.04 -4.66 116.55 134.02 1wm4 n ASP 6 Ca -0.16 -3.34 0.16 0.00 -0.53 0.00 0.00 54.79 50.91 1wm4 n ASP 6 Cb 0.53 -1.04 0.25 0.00 -0.64 0.00 0.00 41.12 40.21 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1wm4 h LYS 7 N 1.78 0.00 -0.98 -1.24 5.09 -1.95 0.57 116.57 119.84 1wm4 h LYS 7 Ca 0.41 0.00 0.25 0.00 0.09 0.00 0.00 60.65 61.40 1wm4 h LYS 7 Cb 0.84 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 33.10 1wm4 h LYS 7 CO 1.07 0.00 0.66 1.49 -2.09 0.00 0.00 179.45 180.58 1wm4 h GLU 8 N 0.00 0.28 0.00 0.07 4.81 -1.98 -0.11 114.58 117.64 1wm4 h GLU 8 Ca 0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1wm4 h GLU 8 Cb 2.50 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.82 1wm4 h GLU 8 CO -0.00 0.18 -0.04 0.00 -0.73 0.00 0.00 179.01 178.42 1wm4 h ALA 9 N 1.58 0.00 -0.36 2.92 0.00 -0.25 -3.08 119.26 120.06 1wm4 h ALA 9 Ca 0.52 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1wm4 h ALA 9 Cb 1.51 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1wm4 h ALA 9 CO -0.17 0.04 -0.41 0.00 0.00 0.00 0.00 179.25 178.71 1wm4 h ARG 11 N -0.24 -0.12 0.76 0.00 2.43 -1.21 2.38 114.38 118.38 1wm4 h ARG 11 Ca 0.06 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1wm4 h ARG 11 Cb 0.41 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1wm4 h ARG 11 CO -0.47 -0.08 -0.37 0.00 -1.51 0.00 0.00 179.97 177.54 1wm4 h ALA 12 N 1.11 -1.03 -0.08 2.80 0.00 -0.92 -1.12 119.26 120.02 1wm4 h ALA 12 Ca 0.26 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wm4 h ALA 12 Cb 0.55 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wm4 h ALA 12 CO -0.72 -1.03 0.09 0.00 0.00 0.00 0.00 179.25 177.59 1wm4 h ALA 13 N -0.95 1.67 -0.06 0.00 0.00 0.29 0.14 119.26 120.36 1wm4 h ALA 13 Ca -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1wm4 h ALA 13 Cb 0.80 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wm4 h ALA 13 CO 0.17 -0.13 -0.08 1.88 0.00 0.00 0.00 179.25 181.09 1wm4 h TYR 14 N 0.00 0.19 0.00 0.00 -1.99 0.45 -2.99 116.97 112.63 1wm4 h TYR 14 Ca 0.04 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1wm4 h TYR 14 Cb 0.22 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1wm4 h TYR 14 CO 0.00 0.65 0.00 0.09 -0.00 0.00 0.00 178.16 178.90 1wm4 n ASN 15 N -4.70 0.18 0.11 3.88 5.03 -0.47 -3.14 115.26 116.15 1wm4 n ASN 15 Ca -0.08 0.52 -0.03 0.00 0.87 0.00 0.00 54.58 55.86 1wm4 n ASN 15 Cb 0.33 -0.57 0.04 0.00 -1.02 0.00 0.00 39.78 38.56 1wm4 n ASN 15 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1wm4 h LEU 16 N 0.00 0.00 0.00 3.41 5.85 -0.62 -2.80 115.31 121.15 1wm4 h LEU 16 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wm4 h LEU 16 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1wm4 h LEU 16 CO 0.00 0.75 0.00 1.33 -0.34 0.00 0.00 178.44 180.18 1wm4 n VAL 17 N -3.50 0.12 0.06 1.05 0.24 -1.14 -1.97 118.33 113.19 1wm4 n VAL 17 Ca -0.00 0.03 0.01 0.00 -2.04 0.00 0.00 64.34 62.34 1wm4 n VAL 17 Cb 0.77 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1wm4 n VAL 17 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wm4 n ARG 18 N -1.08 -0.04 -0.82 7.34 0.63 -1.07 -4.61 116.66 117.01 1wm4 n ARG 18 Ca 0.13 -0.53 -0.10 0.00 -0.92 0.00 0.00 57.85 56.43 1wm4 n ARG 18 Cb 0.09 -0.98 0.18 0.00 0.45 0.00 0.00 32.46 32.20 1wm4 n ARG 18 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1wm4 n ASP 19 N -0.03 3.84 -2.28 6.15 9.92 -0.83 -4.88 116.55 128.43 1wm4 n ASP 19 Ca 0.01 -3.02 -0.11 0.00 -0.53 0.00 0.00 54.79 51.13 1wm4 n ASP 19 Cb 0.04 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 39.78 1wm4 n ASP 19 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wm4 n ASP 20 N -0.34 -0.70 0.00 -2.24 9.92 -1.26 -4.57 116.55 117.36 1wm4 n ASP 20 Ca 0.36 -0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1wm4 n ASP 20 Cb 1.23 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wm4 n GLY 21 N -0.53 0.18 0.19 0.44 0.00 -1.26 -4.83 105.19 99.37 1wm4 n GLY 21 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1wm4 n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wm4 h SER 22 N 0.00 0.07 0.00 1.61 0.87 -1.81 -3.46 113.55 110.84 1wm4 h SER 22 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1wm4 h SER 22 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1wm4 h SER 22 CO 0.00 0.46 0.00 0.00 -0.53 0.00 0.00 176.83 176.76 1wm4 n ALA 23 N -2.47 0.00 -1.42 6.23 0.00 -1.26 -4.84 120.51 116.76 1wm4 n ALA 23 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1wm4 n ALA 23 Cb 0.43 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.05 1wm4 n ALA 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wm4 n VAL 24 N -2.21 0.00 -0.37 0.00 3.14 -1.26 -4.73 118.33 112.90 1wm4 n VAL 24 Ca 0.00 -0.04 -0.10 0.00 -2.96 0.00 0.00 64.34 61.24 1wm4 n VAL 24 Cb 0.14 -1.84 -0.08 0.00 -1.06 0.00 0.00 33.84 31.00 1wm4 n VAL 24 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1wm4 h ILE 25 N 6.53 0.00 -3.75 1.55 2.10 -1.80 -3.38 117.51 118.76 1wm4 h ILE 25 Ca 0.03 0.00 -0.29 0.00 1.08 0.00 0.00 64.86 65.68 1wm4 h ILE 25 Cb 0.96 0.00 -0.17 0.00 -1.09 0.00 0.00 36.82 36.53 1wm4 h ILE 25 CO 1.10 0.00 -0.72 -1.66 -1.08 0.00 0.00 178.15 175.79 1wm4 s TRP 26 N -5.60 0.99 -0.02 2.19 1.48 -1.25 -4.05 118.94 112.68 1wm4 s TRP 26 Ca -0.13 -0.72 0.02 0.00 -1.06 0.00 0.00 56.10 54.21 1wm4 s TRP 26 Cb 0.12 -0.55 0.01 0.00 -1.16 0.00 0.00 33.47 31.89 1wm4 s TRP 26 CO 0.63 -0.04 -0.06 0.54 -4.06 0.00 0.00 176.95 173.96 1wm4 s VAL 27 N -2.74 0.57 0.06 -0.66 0.11 -1.26 -3.22 120.40 113.27 1wm4 s VAL 27 Ca 0.07 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 58.95 1wm4 s VAL 27 Cb -0.01 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1wm4 s VAL 27 CO -0.01 0.19 -0.21 0.42 -3.33 0.00 0.00 175.10 172.16 1wm4 s THR 28 N 0.27 1.73 -0.04 5.04 -4.23 -1.15 -4.14 115.64 113.11 1wm4 s THR 28 Ca -0.03 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 1wm4 s THR 28 Cb -0.08 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1wm4 s THR 28 CO 0.00 0.15 -0.19 0.72 -0.54 0.00 0.00 174.62 174.76 1wm4 s PHE 29 N -0.89 1.81 0.04 3.99 -0.71 -1.26 -0.32 117.98 120.65 1wm4 s PHE 29 Ca 0.08 -0.46 0.06 0.00 -1.04 0.00 0.00 56.93 55.56 1wm4 s PHE 29 Cb -0.09 -1.20 -0.03 0.00 -1.21 0.00 0.00 43.02 40.48 1wm4 s PHE 29 CO 0.03 -0.13 -0.12 -0.98 -1.34 0.00 0.00 175.22 172.68 1wm4 s ARG 30 N -0.16 2.25 -0.97 1.99 1.70 -1.09 -4.04 118.95 118.64 1wm4 s ARG 30 Ca 0.00 -0.90 -0.28 0.00 -0.47 0.00 0.00 55.73 54.08 1wm4 s ARG 30 Cb -0.10 -2.33 -0.23 0.00 -0.57 0.00 0.00 34.95 31.72 1wm4 s ARG 30 CO 0.01 0.55 2.61 0.66 -1.08 0.00 0.00 175.30 178.06 1wm4 n TYR 31 N 1.32 0.54 -3.22 5.89 4.01 -1.26 -3.96 117.16 120.48 1wm4 n TYR 31 Ca -0.15 0.31 -0.45 0.00 -0.16 0.00 0.00 57.90 57.45 1wm4 n TYR 31 Cb 0.52 -2.15 -0.05 0.00 -0.31 0.00 0.00 39.34 37.34 1wm4 n TYR 31 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1wm4 s ASP 32 N 8.03 6.19 1.58 7.72 -1.08 -0.83 -4.93 116.67 133.36 1wm4 s ASP 32 Ca 1.33 -1.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1wm4 s ASP 32 Cb -1.14 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 38.07 1wm4 s ASP 32 CO 0.48 -0.93 0.00 0.61 0.52 0.00 0.00 175.17 175.86 1wm4 n GLY 33 N 5.24 3.77 1.29 2.66 0.00 -1.26 -0.66 105.19 116.23 1wm4 n GLY 33 Ca -0.11 0.21 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1wm4 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm4 n ALA 34 N 12.19 3.65 -3.47 4.61 0.00 -1.26 -4.94 120.51 131.30 1wm4 n ALA 34 Ca 0.00 -2.42 -0.13 0.00 0.00 0.00 0.00 53.44 50.90 1wm4 n ALA 34 Cb 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 1wm4 n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wm4 s THR 35 N -2.93 -0.03 -0.38 0.00 2.01 0.17 -4.27 115.64 110.21 1wm4 s THR 35 Ca 0.47 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 1wm4 s THR 35 Cb 0.38 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.61 1wm4 s THR 35 CO 0.09 0.04 1.16 -0.63 -0.69 0.00 0.00 174.62 174.59 1wm4 s ILE 36 N 0.77 4.30 0.05 1.82 1.09 -1.00 -1.96 121.20 126.27 1wm4 s ILE 36 Ca -0.06 1.42 0.02 0.00 -1.10 0.00 0.00 60.65 60.94 1wm4 s ILE 36 Cb -0.07 -4.43 -0.03 0.00 -1.06 0.00 0.00 42.46 36.87 1wm4 s ILE 36 CO -0.04 -0.69 -0.08 0.68 -0.10 0.00 0.00 174.94 174.70 1wm4 s VAL 37 N 4.19 0.61 0.32 2.92 -7.23 -1.25 -2.49 120.40 117.46 1wm4 s VAL 37 Ca 0.49 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 59.35 1wm4 s VAL 37 Cb -0.11 -0.71 -0.12 0.00 0.56 0.00 0.00 36.38 36.00 1wm4 s VAL 37 CO 0.24 -0.39 0.06 -2.65 -0.31 0.00 0.00 175.10 172.05 1wm4 n PRO 38 N 1.37 0.00 0.00 4.82 -0.02 -1.26 -2.68 135.00 137.23 1wm4 n PRO 38 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1wm4 n PRO 38 Cb 0.55 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 1wm4 n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wm4 n GLY 39 N 1.82 0.00 3.15 -1.23 0.00 0.56 -4.55 105.19 104.94 1wm4 n GLY 39 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1wm4 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wm4 n ASP 40 N -1.52 -0.88 -0.94 1.61 8.00 -1.06 -4.99 116.55 116.76 1wm4 n ASP 40 Ca 0.00 -3.03 0.00 0.00 0.71 0.00 0.00 54.79 52.47 1wm4 n ASP 40 Cb 0.08 1.88 0.00 0.00 -0.02 0.00 0.00 41.12 43.05 1wm4 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 n GLN 41 N -0.60 0.00 -3.63 -1.24 -0.00 -1.26 -2.96 117.38 107.70 1wm4 n GLN 41 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.98 1wm4 n GLN 41 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 30.24 30.76 1wm4 n GLN 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1wm4 s GLY 42 N -0.94 -0.03 0.00 2.61 0.00 -1.20 -4.85 107.32 102.92 1wm4 s GLY 42 Ca 0.00 2.73 0.19 0.00 0.00 0.00 0.00 44.72 47.64 1wm4 s GLY 42 CO 0.00 1.55 1.12 0.00 0.00 0.00 0.00 173.10 175.77 1wm4 n ALA 43 N 1.45 2.46 -3.22 3.20 0.00 -1.26 -3.01 120.51 120.13 1wm4 n ALA 43 Ca -0.10 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.58 1wm4 n ALA 43 Cb 0.57 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 1wm4 n ALA 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wm4 s ASP 44 N -1.58 -0.04 0.04 0.00 1.47 -1.26 -4.66 116.67 110.64 1wm4 s ASP 44 Ca 0.23 -0.95 -0.15 0.00 1.18 0.00 0.00 52.55 52.86 1wm4 s ASP 44 Cb 0.16 0.61 -0.34 0.00 -0.34 0.00 0.00 42.92 43.00 1wm4 s ASP 44 CO 0.24 -1.18 1.03 0.10 0.68 0.00 0.00 175.17 176.04 1wm4 h TYR 45 N 2.22 0.98 -1.47 2.11 -0.00 -1.98 -3.24 116.97 115.59 1wm4 h TYR 45 Ca -0.26 -0.70 0.46 0.00 -0.00 0.00 0.00 58.73 58.23 1wm4 h TYR 45 Cb 1.25 -0.05 -0.11 0.00 -0.00 0.00 0.00 36.73 37.83 1wm4 h TYR 45 CO 0.49 1.54 0.99 1.96 -0.00 0.00 0.00 178.16 183.14 1wm4 h GLN 46 N 0.17 0.06 -0.74 0.10 1.08 -2.02 1.17 115.11 114.93 1wm4 h GLN 46 Ca -0.24 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1wm4 h GLN 46 Cb 2.13 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.51 1wm4 h GLN 46 CO 0.27 0.04 0.40 1.25 -0.95 0.00 0.00 178.83 179.84 1wm4 h HIS 47 N 0.06 1.03 -1.16 2.96 2.76 -1.95 -0.84 115.15 118.02 1wm4 h HIS 47 Ca 0.82 -0.03 0.33 0.00 -2.20 0.00 0.00 60.37 59.29 1wm4 h HIS 47 Cb 2.82 -0.33 -0.08 0.00 1.55 0.00 0.00 27.41 31.38 1wm4 h HIS 47 CO -0.00 0.73 0.79 0.27 -1.30 0.00 0.00 177.93 178.42 1wm4 h PHE 48 N 1.03 0.32 -0.56 5.26 -5.15 0.12 2.11 116.94 120.07 1wm4 h PHE 48 Ca 0.26 0.01 -0.06 0.00 -0.20 0.00 0.00 57.97 57.99 1wm4 h PHE 48 Cb 0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 35.95 36.11 1wm4 h PHE 48 CO 0.00 0.00 0.13 0.82 -2.00 0.00 0.00 178.31 177.27 1wm4 h ILE 49 N 0.17 1.25 0.00 0.88 2.04 -1.17 -1.74 117.51 118.93 1wm4 h ILE 49 Ca 0.61 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1wm4 h ILE 49 Cb 2.02 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1wm4 h ILE 49 CO -0.17 0.33 -0.44 1.67 0.00 0.00 0.00 178.15 179.54 1wm4 n GLN 50 N -4.39 0.15 -3.09 2.37 0.00 0.29 -4.21 117.38 108.51 1wm4 n GLN 50 Ca 0.03 0.06 -0.35 0.00 -0.00 0.00 0.00 57.00 56.74 1wm4 n GLN 50 Cb 0.24 -1.61 -0.03 0.00 0.00 0.00 0.00 30.24 28.84 1wm4 n GLN 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1wm4 n GLN 51 N -1.84 3.75 0.00 3.69 1.13 0.64 -4.58 117.38 120.17 1wm4 n GLN 51 Ca 0.05 -4.66 0.00 0.00 -1.94 0.00 0.00 57.00 50.45 1wm4 n GLN 51 Cb 0.39 -2.38 0.00 0.00 0.11 0.00 0.00 30.24 28.36 1wm4 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wm4 s THR 53 N 0.00 3.41 -1.55 0.00 -4.23 -1.26 -4.88 115.64 107.13 1wm4 s THR 53 Ca 0.00 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1wm4 s THR 53 Cb 0.00 -3.32 0.17 0.00 1.34 0.00 0.00 72.50 70.68 1wm4 s THR 53 CO 0.00 -0.60 1.10 0.47 -0.54 0.00 0.00 174.62 175.05 1wm4 n ASP 54 N -3.19 0.00 -1.43 3.99 9.92 -1.26 -1.25 116.55 123.32 1wm4 n ASP 54 Ca 0.07 0.08 0.09 0.00 -0.53 0.00 0.00 54.79 54.50 1wm4 n ASP 54 Cb 0.56 -0.23 0.33 0.00 -0.64 0.00 0.00 41.12 41.15 1wm4 n ASP 54 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wm4 n ASP 55 N -1.23 4.50 -4.09 -2.24 8.00 -1.26 0.26 116.55 120.49 1wm4 n ASP 55 Ca 0.04 -2.43 -0.09 0.00 0.71 0.00 0.00 54.79 53.03 1wm4 n ASP 55 Cb 0.06 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wm4 s VAL 56 N -1.80 0.39 -0.04 2.53 0.11 -0.38 -4.92 120.40 116.28 1wm4 s VAL 56 Ca 0.48 -1.61 0.01 0.00 -2.93 0.00 0.00 61.98 57.92 1wm4 s VAL 56 Cb 0.31 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1wm4 s VAL 56 CO 0.23 -0.80 -0.04 0.00 -3.33 0.00 0.00 175.10 171.16 1wm4 s ARG 57 N -3.21 0.77 0.05 1.54 3.03 -1.26 -1.42 118.95 118.45 1wm4 s ARG 57 Ca 0.03 -0.08 -0.28 0.00 2.03 0.00 0.00 55.73 57.44 1wm4 s ARG 57 Cb 0.02 -0.81 0.10 0.00 -1.03 0.00 0.00 34.95 33.22 1wm4 s ARG 57 CO -0.06 -0.10 1.17 -0.48 -1.13 0.00 0.00 175.30 174.71 1wm4 s LEU 58 N 0.99 -0.07 0.14 -1.89 0.05 0.21 -4.55 118.68 113.56 1wm4 s LEU 58 Ca -0.10 -0.29 0.04 0.00 0.05 0.00 0.00 54.13 53.83 1wm4 s LEU 58 Cb -0.14 1.66 -0.04 0.00 -2.05 0.00 0.00 46.19 45.62 1wm4 s LEU 58 CO -0.00 -0.55 0.15 -0.36 -0.55 0.00 0.00 176.35 175.04 1wm4 s PHE 59 N -2.53 3.24 0.11 3.48 0.40 -1.26 0.22 117.98 121.63 1wm4 s PHE 59 Ca 0.17 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.58 1wm4 s PHE 59 Cb 0.01 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1wm4 s PHE 59 CO -0.01 0.52 -0.10 0.00 0.70 0.00 0.00 175.22 176.34 1wm4 s ALA 60 N -1.65 1.17 -0.32 5.36 0.00 0.17 -4.10 121.76 122.38 1wm4 s ALA 60 Ca 0.31 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1wm4 s ALA 60 Cb -0.11 0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.21 1wm4 s ALA 60 CO 0.24 -0.07 0.36 0.12 0.00 0.00 0.00 175.76 176.40 1wm4 s PHE 61 N -2.78 -0.56 0.26 0.00 5.36 -1.26 0.44 117.98 119.43 1wm4 s PHE 61 Ca 0.09 -0.27 0.10 0.00 -0.96 0.00 0.00 56.93 55.88 1wm4 s PHE 61 Cb -0.01 -0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.27 1wm4 s PHE 61 CO -0.00 -0.96 -0.02 0.54 -1.46 0.00 0.00 175.22 173.31 1wm4 s VAL 62 N 2.08 3.38 0.17 3.12 0.11 -1.24 -3.97 120.40 124.04 1wm4 s VAL 62 Ca 0.12 -1.90 -0.24 0.00 -2.93 0.00 0.00 61.98 57.03 1wm4 s VAL 62 Cb -0.14 -2.79 -0.08 0.00 -1.53 0.00 0.00 36.38 31.85 1wm4 s VAL 62 CO -0.22 -0.34 0.75 -0.60 -3.33 0.00 0.00 175.10 171.36 1wm4 s ARG 63 N -3.56 4.49 0.19 1.54 3.52 -1.26 -4.00 118.95 119.88 1wm4 s ARG 63 Ca 0.31 1.09 0.09 0.00 -0.13 0.00 0.00 55.73 57.09 1wm4 s ARG 63 Cb -0.07 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1wm4 s ARG 63 CO 0.19 0.55 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.98 1wm4 s PHE 64 N -1.20 1.96 0.15 5.12 0.08 -0.90 -4.95 117.98 118.23 1wm4 s PHE 64 Ca 0.36 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.67 1wm4 s PHE 64 Cb -0.22 -0.95 -0.07 0.00 -0.57 0.00 0.00 43.02 41.21 1wm4 s PHE 64 CO 0.25 0.41 1.05 -0.08 -0.10 0.00 0.00 175.22 176.75 1wm4 s THR 65 N -2.12 4.12 -0.45 0.64 -1.32 -1.26 -0.40 115.64 114.84 1wm4 s THR 65 Ca 0.19 1.79 0.03 0.00 -1.21 0.00 0.00 61.69 62.49 1wm4 s THR 65 Cb -0.06 -4.14 0.48 0.00 -1.51 0.00 0.00 72.50 67.27 1wm4 s THR 65 CO 0.08 0.29 1.62 0.41 -2.21 0.00 0.00 174.62 174.81 1wm4 n THR 66 N 2.60 3.02 0.00 5.08 -1.04 -1.26 -4.76 114.28 117.92 1wm4 n THR 66 Ca 0.03 -3.33 0.00 0.00 -2.04 0.00 0.00 64.05 58.71 1wm4 n THR 66 Cb 0.47 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1wm4 n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wm4 n GLY 67 N -0.89 0.15 3.51 3.41 0.00 -1.26 -4.92 105.19 105.19 1wm4 n GLY 67 Ca 0.51 0.71 -0.24 0.00 0.00 0.00 0.00 46.02 47.00 1wm4 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wm4 n ASP 68 N 0.00 -0.70 -3.78 1.61 9.92 -1.26 -0.03 116.55 122.32 1wm4 n ASP 68 Ca 0.00 -0.57 -0.26 0.00 -0.53 0.00 0.00 54.79 53.43 1wm4 n ASP 68 Cb 0.00 -0.76 0.04 0.00 -0.64 0.00 0.00 41.12 39.76 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wm4 n ALA 69 N 8.23 -1.51 -2.72 2.24 0.00 -1.26 -4.97 120.51 120.52 1wm4 n ALA 69 Ca 0.64 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 54.12 1wm4 n ALA 69 Cb 0.17 -3.96 -0.08 0.00 0.00 0.00 0.00 19.45 15.58 1wm4 n ALA 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wm4 s MET 70 N -6.34 0.75 0.50 0.00 0.00 0.96 -5.11 119.30 110.06 1wm4 s MET 70 Ca 0.45 -0.77 0.00 0.00 0.00 0.00 0.00 55.69 55.37 1wm4 s MET 70 Cb -0.22 0.31 0.00 0.00 0.00 0.00 0.00 34.83 34.92 1wm4 s MET 70 CO 0.80 -0.22 0.00 0.43 0.00 0.00 0.00 175.02 176.03 1wm4 n SER 71 N 0.38 -7.28 -0.05 1.11 7.64 -1.26 -4.23 113.62 109.94 1wm4 n SER 71 Ca -0.17 1.52 0.01 0.00 1.01 0.00 0.00 58.87 61.24 1wm4 n SER 71 Cb 0.60 -4.16 -0.16 0.00 -1.01 0.00 0.00 64.21 59.48 1wm4 n SER 71 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wm4 n LYS 72 N -2.22 0.67 -0.39 1.43 5.02 -1.26 -4.92 118.16 116.49 1wm4 n LYS 72 Ca 0.00 -0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 1wm4 n LYS 72 Cb 0.35 -1.55 0.26 0.00 -0.02 0.00 0.00 35.03 34.07 1wm4 n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wm4 n ARG 73 N -2.53 -3.47 -4.25 1.97 1.74 -1.26 -5.05 116.66 103.81 1wm4 n ARG 73 Ca -0.17 -1.01 -0.14 0.00 -0.77 0.00 0.00 57.85 55.75 1wm4 n ARG 73 Cb 0.85 -1.94 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wm4 s SER 74 N -2.57 0.65 0.17 0.55 0.15 -1.26 -4.51 113.70 106.87 1wm4 s SER 74 Ca 0.64 -1.44 0.05 0.00 0.70 0.00 0.00 55.95 55.90 1wm4 s SER 74 Cb -0.17 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1wm4 s SER 74 CO 0.59 -0.84 0.14 -0.54 1.20 0.00 0.00 173.24 173.78 1wm4 s LYS 75 N -4.04 2.88 -0.08 5.44 -0.14 0.46 -4.84 119.74 119.43 1wm4 s LYS 75 Ca 0.39 -0.90 -0.01 0.00 -1.36 0.00 0.00 55.97 54.09 1wm4 s LYS 75 Cb 0.07 -2.62 0.03 0.00 -1.68 0.00 0.00 37.83 33.62 1wm4 s LYS 75 CO 0.14 0.48 -0.02 -0.06 -0.76 0.00 0.00 175.35 175.13 1wm4 s PHE 76 N -1.79 0.87 0.17 3.18 0.08 -1.26 -2.11 117.98 117.13 1wm4 s PHE 76 Ca 0.31 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 57.00 1wm4 s PHE 76 Cb -0.10 -0.90 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1wm4 s PHE 76 CO 0.23 -0.37 0.20 0.00 -0.10 0.00 0.00 175.22 175.18 1wm4 s ALA 77 N 1.88 0.55 0.20 5.36 0.00 -1.26 0.31 121.76 128.81 1wm4 s ALA 77 Ca 0.05 -1.29 0.11 0.00 0.00 0.00 0.00 51.96 50.83 1wm4 s ALA 77 Cb -0.12 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1wm4 s ALA 77 CO -0.06 -0.61 -0.22 -1.17 0.00 0.00 0.00 175.76 173.70 1wm4 s LEU 78 N -3.05 2.46 0.01 0.00 0.20 -1.07 -3.67 118.68 113.56 1wm4 s LEU 78 Ca 0.26 -0.89 0.02 0.00 0.69 0.00 0.00 54.13 54.21 1wm4 s LEU 78 Cb 0.05 -1.08 -0.01 0.00 -0.43 0.00 0.00 46.19 44.72 1wm4 s LEU 78 CO 0.05 0.07 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.47 1wm4 s ILE 79 N -1.90 0.59 -0.29 6.68 -1.09 0.17 -0.99 121.20 124.36 1wm4 s ILE 79 Ca 0.21 -0.55 -0.09 0.00 -2.23 0.00 0.00 60.65 57.99 1wm4 s ILE 79 Cb -0.07 -0.54 -0.02 0.00 -1.58 0.00 0.00 42.46 40.26 1wm4 s ILE 79 CO 0.10 0.00 0.14 -0.89 -1.23 0.00 0.00 174.94 173.06 1wm4 s THR 80 N -0.53 4.63 -0.41 2.92 2.01 -0.44 0.43 115.64 124.26 1wm4 s THR 80 Ca -0.01 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 1wm4 s THR 80 Cb -0.05 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.17 1wm4 s THR 80 CO 0.00 0.14 0.58 0.86 -0.69 0.00 0.00 174.62 175.52 1wm4 s TRP 81 N 1.63 3.11 -0.60 4.92 -0.11 0.58 -1.50 118.94 126.98 1wm4 s TRP 81 Ca 0.05 -0.02 -0.05 0.00 1.22 0.00 0.00 56.10 57.30 1wm4 s TRP 81 Cb -0.17 -3.16 0.16 0.00 -1.50 0.00 0.00 33.47 28.80 1wm4 s TRP 81 CO 0.06 -0.75 0.44 0.42 -4.62 0.00 0.00 176.95 172.50 1wm4 s ILE 82 N 2.60 3.98 0.90 5.86 -1.09 -1.17 -0.62 121.20 131.66 1wm4 s ILE 82 Ca 0.20 -2.60 -0.13 0.00 -2.23 0.00 0.00 60.65 55.88 1wm4 s ILE 82 Cb -0.15 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1wm4 s ILE 82 CO 0.16 -0.86 0.42 0.61 -1.23 0.00 0.00 174.94 174.05 1wm4 n GLY 83 N 3.91 -1.94 1.69 6.18 0.00 -0.51 -4.73 105.19 109.79 1wm4 n GLY 83 Ca 0.05 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1wm4 n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wm4 n GLU 84 N -1.45 4.33 -0.89 1.61 1.02 0.14 -4.06 120.64 121.33 1wm4 n GLU 84 Ca 0.07 -2.69 0.05 0.00 -0.02 0.00 0.00 57.16 54.57 1wm4 n GLU 84 Cb 0.53 -2.15 0.08 0.00 -0.02 0.00 0.00 31.44 29.88 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wm4 n ASP 85 N 0.54 1.16 -4.93 1.62 2.03 -1.15 -5.02 116.55 110.81 1wm4 n ASP 85 Ca 0.24 -2.65 -0.25 0.00 0.52 0.00 0.00 54.79 52.65 1wm4 n ASP 85 Cb 1.06 -0.36 -0.00 0.00 -0.72 0.00 0.00 41.12 41.10 1wm4 n ASP 85 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wm4 s VAL 86 N -1.23 4.78 0.00 5.18 1.01 -1.26 -5.00 120.40 123.88 1wm4 s VAL 86 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1wm4 s VAL 86 Cb 0.30 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wm4 s VAL 86 CO -0.09 -0.62 0.00 -0.24 0.00 0.00 0.00 175.10 174.15 1wm4 n SER 87 N -2.05 0.00 0.17 3.32 2.88 -1.26 -4.99 113.62 111.69 1wm4 n SER 87 Ca -0.01 -0.13 0.11 0.00 -1.33 0.00 0.00 58.87 57.50 1wm4 n SER 87 Cb 0.56 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.11 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wm4 h GLY 88 N 0.00 0.00 -0.18 0.46 0.00 -2.01 -3.37 103.07 97.98 1wm4 h GLY 88 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1wm4 h GLY 88 CO 0.00 0.00 -0.30 1.41 0.00 0.00 0.00 176.54 177.65 1wm4 h LEU 89 N 0.00 -0.98 -1.98 3.11 -0.00 -2.01 0.16 115.31 113.61 1wm4 h LEU 89 Ca -0.01 0.13 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 1wm4 h LEU 89 Cb 1.05 0.40 -0.01 0.00 -0.00 0.00 0.00 40.66 42.10 1wm4 h LEU 89 CO 0.01 -0.23 0.24 1.56 -0.00 0.00 0.00 178.44 180.02 1wm4 h GLN 90 N -0.24 0.02 -0.05 1.13 1.08 -1.96 0.10 115.11 115.18 1wm4 h GLN 90 Ca 0.03 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1wm4 h GLN 90 Cb 0.33 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 1wm4 h GLN 90 CO -0.30 0.02 -0.52 -0.09 -0.95 0.00 0.00 178.83 176.99 1wm4 h ARG 91 N 0.03 -0.60 0.25 1.46 1.12 -0.83 0.64 114.38 116.44 1wm4 h ARG 91 Ca 0.16 0.04 -0.34 0.00 -1.11 0.00 0.00 59.98 58.73 1wm4 h ARG 91 Cb 0.61 0.14 0.04 0.00 -0.01 0.00 0.00 29.97 30.75 1wm4 h ARG 91 CO -0.01 -0.40 -1.50 0.00 -3.11 0.00 0.00 179.97 174.95 1wm4 h ALA 92 N -0.30 -0.14 0.47 2.80 0.00 -1.29 -3.11 119.26 117.70 1wm4 h ALA 92 Ca 0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.03 1wm4 h ALA 92 Cb 0.70 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wm4 h ALA 92 CO -0.39 0.72 -0.23 -0.22 0.00 0.00 0.00 179.25 179.14 1wm4 h LYS 93 N 0.15 -0.61 -0.92 0.00 1.63 -0.79 -2.78 116.57 113.23 1wm4 h LYS 93 Ca -0.26 0.04 0.26 0.00 -0.85 0.00 0.00 60.65 59.84 1wm4 h LYS 93 Cb 2.17 0.14 -0.14 0.00 -0.60 0.00 0.00 32.23 33.79 1wm4 h LYS 93 CO 0.27 -0.41 0.34 1.15 -3.45 0.00 0.00 179.45 177.35 1wm4 h THR 94 N -0.64 0.30 -0.56 1.00 2.02 0.13 -0.86 112.91 114.31 1wm4 h THR 94 Ca -0.06 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1wm4 h THR 94 Cb 0.49 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 1wm4 h THR 94 CO 0.11 0.04 -0.54 1.23 0.37 0.00 0.00 175.52 176.73 1wm4 h GLY 95 N 0.24 -1.02 0.78 2.16 0.00 -1.41 1.73 103.07 105.55 1wm4 h GLY 95 Ca 0.61 0.75 -0.02 0.00 0.00 0.00 0.00 47.33 48.68 1wm4 h GLY 95 CO -0.65 -0.10 0.00 -0.84 0.00 0.00 0.00 176.54 174.96 1wm4 h THR 96 N -0.27 1.25 -0.32 4.70 2.02 -1.07 -3.06 112.91 116.16 1wm4 h THR 96 Ca 0.09 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 1wm4 h THR 96 Cb 0.52 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1wm4 h THR 96 CO -0.67 0.23 -0.20 -2.24 0.37 0.00 0.00 175.52 173.01 1wm4 h ASP 97 N -0.04 0.73 -0.17 4.18 3.04 -0.76 -2.55 116.42 120.86 1wm4 h ASP 97 Ca 0.04 -0.43 0.05 0.00 -3.24 0.00 0.00 57.03 53.45 1wm4 h ASP 97 Cb 0.35 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.43 1wm4 h ASP 97 CO 0.01 1.00 0.20 0.07 -2.04 0.00 0.00 179.24 178.48 1wm4 h LYS 98 N 0.47 0.00 0.00 4.15 5.09 0.25 0.93 116.57 127.47 1wm4 h LYS 98 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.79 1wm4 h LYS 98 Cb 0.74 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.07 1wm4 h LYS 98 CO 0.06 0.00 -0.20 1.15 -2.09 0.00 0.00 179.45 178.37 1wm4 h THR 99 N 0.00 0.11 0.03 0.07 2.02 -1.35 -3.06 112.91 110.73 1wm4 h THR 99 Ca 0.08 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1wm4 h THR 99 Cb 0.49 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1wm4 h THR 99 CO -0.00 0.06 -0.02 -0.07 0.37 0.00 0.00 175.52 175.87 1wm4 h LEU 100 N 0.00 -0.04 -1.69 2.58 3.38 0.12 -2.00 115.31 117.66 1wm4 h LEU 100 Ca -0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 1wm4 h LEU 100 Cb 1.06 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1wm4 h LEU 100 CO 0.01 0.27 0.67 1.62 0.09 0.00 0.00 178.44 181.10 1wm4 h VAL 101 N -0.63 0.56 -0.04 1.22 3.04 -1.46 0.13 116.25 119.05 1wm4 h VAL 101 Ca -0.00 -0.08 -0.19 0.00 -1.01 0.00 0.00 66.70 65.42 1wm4 h VAL 101 Cb 0.03 0.32 0.01 0.00 -2.01 0.00 0.00 31.29 29.64 1wm4 h VAL 101 CO 0.01 0.04 -0.73 0.50 -1.01 0.00 0.00 177.57 176.38 1wm4 h LYS 102 N 0.22 0.57 -0.51 4.17 3.64 -1.63 -1.08 116.57 121.94 1wm4 h LYS 102 Ca 0.50 -0.56 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1wm4 h LYS 102 Cb 1.59 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 1wm4 h LYS 102 CO -0.13 1.18 -0.14 1.49 -2.27 0.00 0.00 179.45 179.58 1wm4 h GLU 103 N 0.17 0.97 0.00 1.90 4.81 -0.08 -2.92 114.58 119.43 1wm4 h GLU 103 Ca -0.08 -0.37 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 1wm4 h GLU 103 Cb 1.40 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1wm4 h GLU 103 CO 0.15 1.04 -0.52 -0.24 -0.73 0.00 0.00 179.01 178.71 1wm4 h VAL 104 N 0.86 0.94 -1.38 0.32 3.04 -0.94 -3.46 116.25 115.63 1wm4 h VAL 104 Ca 0.13 -2.16 -0.67 0.00 -1.01 0.00 0.00 66.70 62.99 1wm4 h VAL 104 Cb 0.69 2.35 0.10 0.00 -2.01 0.00 0.00 31.29 32.42 1wm4 h VAL 104 CO 0.05 0.51 -0.26 0.55 -1.01 0.00 0.00 177.57 177.41 1wm4 n VAL 105 N -3.30 1.68 -2.00 1.51 3.14 -0.41 -4.86 118.33 114.09 1wm4 n VAL 105 Ca 0.01 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1wm4 n VAL 105 Cb 0.70 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1wm4 n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wm4 n GLN 106 N 1.07 0.00 -2.80 1.45 10.64 -1.26 -4.88 117.38 121.60 1wm4 n GLN 106 Ca 0.16 -0.79 -0.01 0.00 -1.83 0.00 0.00 57.00 54.53 1wm4 n GLN 106 Cb 0.25 -0.39 0.06 0.00 -0.86 0.00 0.00 30.24 29.30 1wm4 n GLN 106 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1wm4 n ASN 107 N 0.00 1.07 -3.99 2.61 2.85 -1.26 -5.10 115.26 111.44 1wm4 n ASN 107 Ca -0.00 -2.12 -0.08 0.00 -0.11 0.00 0.00 54.58 52.27 1wm4 n ASN 107 Cb 0.66 -0.29 -0.09 0.00 1.24 0.00 0.00 39.78 41.29 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1wm4 s PHE 108 N -3.12 0.34 -0.13 1.20 -0.71 -1.26 -4.66 117.98 109.65 1wm4 s PHE 108 Ca 0.24 -0.78 0.07 0.00 -1.04 0.00 0.00 56.93 55.42 1wm4 s PHE 108 Cb 0.35 -0.24 -0.23 0.00 -1.21 0.00 0.00 43.02 41.69 1wm4 s PHE 108 CO -0.05 -0.40 0.33 0.00 -1.34 0.00 0.00 175.22 173.76 1wm4 n ALA 109 N 0.34 1.31 -3.45 1.99 0.00 0.93 -4.93 120.51 116.71 1wm4 n ALA 109 Ca -0.16 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.29 1wm4 n ALA 109 Cb 0.60 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1wm4 n ALA 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wm4 s LYS 110 N -2.55 1.13 0.09 0.00 2.20 -1.25 -5.06 119.74 114.29 1wm4 s LYS 110 Ca -0.15 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 1wm4 s LYS 110 Cb 0.07 0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 1wm4 s LYS 110 CO 0.78 -0.49 0.12 -1.83 -0.36 0.00 0.00 175.35 173.57 1wm4 s GLU 111 N -3.44 3.02 0.10 4.03 -1.05 -1.26 -2.59 118.70 117.51 1wm4 s GLU 111 Ca 0.02 -0.65 0.03 0.00 -0.15 0.00 0.00 54.97 54.21 1wm4 s GLU 111 Cb -0.01 -2.79 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 1wm4 s GLU 111 CO -0.11 0.56 -0.09 -0.06 0.95 0.00 0.00 175.26 176.52 1wm4 s PHE 112 N -1.46 1.02 0.02 4.83 0.08 -0.16 -4.92 117.98 117.39 1wm4 s PHE 112 Ca 0.31 -0.76 0.08 0.00 0.12 0.00 0.00 56.93 56.68 1wm4 s PHE 112 Cb -0.12 -0.56 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1wm4 s PHE 112 CO 0.24 -0.04 -0.25 0.08 -0.10 0.00 0.00 175.22 175.15 1wm4 s VAL 113 N -2.97 1.98 0.07 -0.44 1.01 -1.26 -1.33 120.40 117.44 1wm4 s VAL 113 Ca 0.09 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1wm4 s VAL 113 Cb 0.01 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1wm4 s VAL 113 CO -0.01 0.42 -0.06 -0.63 0.00 0.00 0.00 175.10 174.82 1wm4 s ILE 114 N -0.70 0.49 0.00 2.22 -1.09 -0.56 -4.82 121.20 116.74 1wm4 s ILE 114 Ca 0.10 -1.60 0.00 0.00 -2.23 0.00 0.00 60.65 56.92 1wm4 s ILE 114 Cb -0.10 -1.24 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 1wm4 s ILE 114 CO 0.01 -0.75 0.44 -1.54 -1.23 0.00 0.00 174.94 171.87 1wm4 n SER 115 N 0.52 0.00 -3.49 3.58 3.41 -1.26 -3.06 113.62 113.32 1wm4 n SER 115 Ca -0.16 -1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 57.31 1wm4 n SER 115 Cb 0.59 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1wm4 n SER 115 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wm4 s ASP 116 N 0.00 -0.54 0.40 4.04 1.01 -1.26 -4.84 116.67 115.48 1wm4 s ASP 116 Ca 0.00 0.15 0.24 0.00 0.71 0.00 0.00 52.55 53.65 1wm4 s ASP 116 Cb 0.00 0.56 0.46 0.00 1.01 0.00 0.00 42.92 44.94 1wm4 s ASP 116 CO 0.00 -0.84 1.65 0.08 0.21 0.00 0.00 175.17 176.27 1wm4 h ARG 117 N 2.37 0.00 0.01 8.23 0.11 -1.97 -3.30 114.38 119.82 1wm4 h ARG 117 Ca -0.32 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.76 1wm4 h ARG 117 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1wm4 h ARG 117 CO 0.40 0.00 -0.00 0.87 0.10 0.00 0.00 179.97 181.33 1wm4 h LYS 118 N 0.00 -0.01 -0.01 0.08 1.57 -2.01 -2.30 116.57 113.89 1wm4 h LYS 118 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wm4 h LYS 118 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1wm4 h LYS 118 CO 0.00 0.13 0.00 -0.85 -0.57 0.00 0.00 179.45 178.16 1wm4 n GLU 119 N -5.03 1.06 -0.60 3.15 -0.00 -1.25 -3.11 120.64 114.87 1wm4 n GLU 119 Ca -0.07 -0.09 0.07 0.00 -0.00 0.00 0.00 57.16 57.07 1wm4 n GLU 119 Cb 0.10 -1.27 0.31 0.00 -0.00 0.00 0.00 31.44 30.58 1wm4 n GLU 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1wm4 n LEU 120 N -0.67 4.37 -4.81 -1.84 0.00 -0.86 -4.48 117.00 108.70 1wm4 n LEU 120 Ca 0.13 -2.21 -0.33 0.00 0.00 0.00 0.00 56.01 53.60 1wm4 n LEU 120 Cb 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 43.42 42.93 1wm4 n LEU 120 CO 0.10 0.65 0.71 -1.61 0.00 0.00 0.00 177.39 177.24 1wm4 s GLU 121 N -2.03 3.37 0.16 1.96 0.41 -1.18 -4.86 118.70 116.53 1wm4 s GLU 121 Ca 0.44 1.19 -0.16 0.00 -0.41 0.00 0.00 54.97 56.03 1wm4 s GLU 121 Cb 0.30 -2.04 0.08 0.00 -1.78 0.00 0.00 34.13 30.69 1wm4 s GLU 121 CO 0.18 -0.77 1.73 0.93 -0.49 0.00 0.00 175.26 176.84 1wm4 h GLU 122 N 0.49 0.18 -0.87 1.61 5.08 -1.93 -1.02 114.58 118.12 1wm4 h GLU 122 Ca -0.47 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1wm4 h GLU 122 Cb 1.22 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1wm4 h GLU 122 CO 0.58 0.12 0.54 0.38 -1.00 0.00 0.00 179.01 179.63 1wm4 h ASP 123 N 0.19 0.85 -0.20 1.42 3.04 -1.97 1.39 116.42 121.14 1wm4 h ASP 123 Ca 0.18 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.99 1wm4 h ASP 123 Cb 0.21 -0.16 -0.01 0.00 -1.04 0.00 0.00 39.33 38.33 1wm4 h ASP 123 CO -0.24 0.54 0.13 0.15 -2.04 0.00 0.00 179.24 177.77 1wm4 h PHE 124 N 0.98 0.25 -0.29 4.15 3.04 -1.56 0.43 116.94 123.94 1wm4 h PHE 124 Ca 0.38 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 62.15 1wm4 h PHE 124 Cb 0.19 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1wm4 h PHE 124 CO -0.03 0.18 -0.53 0.82 -2.02 0.00 0.00 178.31 176.72 1wm4 h ILE 125 N 0.25 1.27 0.31 1.41 1.08 -0.37 -2.59 117.51 118.88 1wm4 h ILE 125 Ca 0.07 -1.72 -0.02 0.00 -0.39 0.00 0.00 64.86 62.81 1wm4 h ILE 125 Cb -0.01 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1wm4 h ILE 125 CO -0.01 0.56 -0.15 -0.09 -0.69 0.00 0.00 178.15 177.77 1wm4 h ARG 126 N 0.67 -0.40 0.00 2.37 2.43 0.22 -1.09 114.38 118.58 1wm4 h ARG 126 Ca 0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1wm4 h ARG 126 Cb 1.14 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1wm4 h ARG 126 CO 0.12 -0.19 0.03 1.03 -1.51 0.00 0.00 179.97 179.44 1wm4 h SER 127 N -0.52 0.00 0.38 -3.80 0.87 -0.16 -0.56 113.55 109.76 1wm4 h SER 127 Ca -0.04 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.20 1wm4 h SER 127 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1wm4 h SER 127 CO 0.07 0.00 -1.55 -0.33 -0.53 0.00 0.00 176.83 174.49 1wm4 h GLU 128 N 0.00 0.33 -0.42 2.24 3.07 -0.80 -3.33 114.58 115.67 1wm4 h GLU 128 Ca 0.00 -0.56 -0.15 0.00 -0.50 0.00 0.00 59.36 58.15 1wm4 h GLU 128 Cb 0.05 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1wm4 h GLU 128 CO 0.00 1.22 -0.31 -0.07 -1.40 0.00 0.00 179.01 178.45 1wm4 h LEU 129 N 0.09 0.99 0.00 1.33 3.38 -0.38 -1.71 115.31 119.01 1wm4 h LEU 129 Ca -0.26 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1wm4 h LEU 129 Cb 2.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1wm4 h LEU 129 CO 0.19 1.22 0.09 2.29 0.09 0.00 0.00 178.44 182.32 1wm4 n LYS 130 N -4.08 0.00 -2.49 1.13 2.85 -0.95 -4.82 118.16 109.81 1wm4 n LYS 130 Ca -0.01 0.18 -0.04 0.00 -1.05 0.00 0.00 58.31 57.39 1wm4 n LYS 130 Cb 0.51 -1.59 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 1wm4 n LYS 130 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1wm4 n LYS 131 N -1.10 -4.62 0.00 -1.58 4.81 -0.64 -5.02 118.16 110.01 1wm4 n LYS 131 Ca 0.00 3.45 0.00 0.00 -0.87 0.00 0.00 58.31 60.89 1wm4 n LYS 131 Cb 0.09 -4.85 0.00 0.00 0.02 0.00 0.00 35.03 30.29 1wm4 n LYS 131 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wm4 n ALA 132 N 1.68 1.28 -2.66 3.14 0.00 -1.26 -5.06 120.51 117.63 1wm4 n ALA 132 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 1wm4 n ALA 132 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 1wm4 n ALA 132 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wm4 s GLY 133 N -1.72 2.34 0.00 0.00 0.00 -1.26 -5.02 107.32 101.66 1wm4 s GLY 133 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1wm4 s GLY 133 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1wm4 n GLY 134 N 2.07 2.43 2.47 0.20 0.00 -1.26 -5.05 105.19 106.05 1wm4 n GLY 134 Ca -0.16 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1wm4 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm4 n ALA 135 N -1.31 -0.78 -0.92 4.61 0.00 -1.26 -2.48 120.51 118.37 1wm4 n ALA 135 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1wm4 n ALA 135 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 19.45 16.85 1wm4 n ALA 135 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wm4 n ASN 136 N -1.20 -0.92 0.00 0.00 0.23 -1.26 -4.63 115.26 107.48 1wm4 n ASN 136 Ca -0.04 0.07 0.06 0.00 -0.53 0.00 0.00 54.58 54.14 1wm4 n ASN 136 Cb 0.55 -1.18 0.35 0.00 -2.08 0.00 0.00 39.78 37.42 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wm4 n TYR 137 N -1.06 0.00 0.00 -2.53 9.36 -1.03 -3.20 117.16 118.70 1wm4 n TYR 137 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1wm4 n TYR 137 Cb 0.11 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 1wm4 n TYR 137 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1wm4 n ASP 138 N -0.74 0.00 0.00 2.98 8.00 -1.26 -4.16 116.55 121.37 1wm4 n ASP 138 Ca 0.09 0.19 0.02 0.00 0.71 0.00 0.00 54.79 55.80 1wm4 n ASP 138 Cb 0.04 -0.40 0.13 0.00 -0.02 0.00 0.00 41.12 40.87 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 n ALA 139 N -2.01 1.79 -0.86 2.24 0.00 -1.25 -4.93 120.51 115.48 1wm4 n ALA 139 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1wm4 n ALA 139 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1wm4 n ALA 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wm4 n GLN 140 N -0.76 -1.11 -0.42 0.00 6.02 -1.19 -4.81 117.38 115.10 1wm4 n GLN 140 Ca 0.03 0.73 -0.04 0.00 -0.01 0.00 0.00 57.00 57.72 1wm4 n GLN 140 Cb 0.01 -1.36 0.03 0.00 1.02 0.00 0.00 30.24 29.94 1wm4 n GLN 140 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wm4 n SER 141 N -3.90 0.06 -0.22 1.08 3.41 -1.26 -4.93 113.62 107.86 1wm4 n SER 141 Ca 0.00 -1.09 0.15 0.00 -0.26 0.00 0.00 58.87 57.68 1wm4 n SER 141 Cb 0.25 -0.13 0.76 0.00 -0.26 0.00 0.00 64.21 64.83 1wm4 n SER 141 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09