#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm4 n ALA 2 N 0.00 0.00 -2.69 3.04 0.00 -1.26 -4.87 120.51 114.74 1wm4 n ALA 2 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1wm4 n ALA 2 Cb 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1wm4 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wm4 s THR 3 N -0.64 5.10 -0.03 0.00 2.01 -1.26 -4.73 115.64 116.09 1wm4 s THR 3 Ca 0.00 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.11 1wm4 s THR 3 Cb 0.00 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1wm4 s THR 3 CO 0.00 0.22 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.49 1wm4 s LYS 4 N 1.25 1.21 -0.11 4.92 1.02 -1.26 -5.06 119.74 121.72 1wm4 s LYS 4 Ca 0.28 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.89 1wm4 s LYS 4 Cb -0.16 -1.11 -0.00 0.00 -0.52 0.00 0.00 37.83 36.04 1wm4 s LYS 4 CO 0.11 0.16 -0.21 -1.50 -0.92 0.00 0.00 175.35 172.99 1wm4 s ILE 5 N 0.11 2.32 -0.39 2.17 1.10 -1.26 -1.92 121.20 123.33 1wm4 s ILE 5 Ca -0.03 -0.93 -0.01 0.00 -0.51 0.00 0.00 60.65 59.17 1wm4 s ILE 5 Cb -0.09 -1.91 0.27 0.00 0.15 0.00 0.00 42.46 40.88 1wm4 s ILE 5 CO 0.01 0.55 2.01 0.47 -2.11 0.00 0.00 174.94 175.87 1wm4 n ASP 6 N 3.49 6.63 0.02 4.50 9.92 -1.23 -4.62 116.55 135.26 1wm4 n ASP 6 Ca -0.19 -3.21 0.18 0.00 -0.53 0.00 0.00 54.79 51.04 1wm4 n ASP 6 Cb 0.53 -1.03 0.37 0.00 -0.64 0.00 0.00 41.12 40.35 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1wm4 h LYS 7 N 1.55 0.00 -1.00 -1.24 1.57 -1.94 0.73 116.57 116.24 1wm4 h LYS 7 Ca 0.36 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.38 1wm4 h LYS 7 Cb 0.93 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.16 1wm4 h LYS 7 CO 0.93 0.00 0.65 0.93 -0.57 0.00 0.00 179.45 181.39 1wm4 h GLU 8 N 0.00 0.37 0.09 3.15 3.07 -1.99 0.66 114.58 119.92 1wm4 h GLU 8 Ca 0.28 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.93 1wm4 h GLU 8 Cb 2.29 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 30.12 1wm4 h GLU 8 CO -0.00 0.24 -0.92 0.00 -1.40 0.00 0.00 179.01 176.93 1wm4 h ALA 9 N 1.60 0.07 0.38 3.43 0.00 0.08 -3.12 119.26 121.70 1wm4 h ALA 9 Ca 0.55 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1wm4 h ALA 9 Cb 1.42 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1wm4 h ALA 9 CO -0.23 0.50 -0.18 0.00 0.00 0.00 0.00 179.25 179.34 1wm4 h ARG 11 N -0.52 -0.17 0.00 0.00 2.43 0.04 3.36 114.38 119.52 1wm4 h ARG 11 Ca -0.05 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1wm4 h ARG 11 Cb 0.39 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1wm4 h ARG 11 CO 0.09 -0.12 -0.01 0.00 -1.51 0.00 0.00 179.97 178.42 1wm4 h ALA 12 N 0.74 1.80 0.00 2.80 0.00 -1.50 -1.66 119.26 121.43 1wm4 h ALA 12 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1wm4 h ALA 12 Cb 0.56 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1wm4 h ALA 12 CO -0.74 0.01 -0.54 0.00 0.00 0.00 0.00 179.25 177.97 1wm4 h ALA 13 N 1.99 0.04 -0.71 0.00 0.00 0.56 -3.00 119.26 118.15 1wm4 h ALA 13 Ca -0.00 -0.55 0.14 0.00 0.00 0.00 0.00 54.91 54.50 1wm4 h ALA 13 Cb 0.01 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1wm4 h ALA 13 CO 0.00 0.46 -0.23 -0.92 0.00 0.00 0.00 179.25 178.56 1wm4 h TYR 14 N -1.00 -0.55 -0.15 0.00 3.20 0.57 -1.15 116.97 117.90 1wm4 h TYR 14 Ca -0.05 0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1wm4 h TYR 14 Cb 0.57 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1wm4 h TYR 14 CO -0.13 -0.34 -0.27 -0.91 -1.64 0.00 0.00 178.16 174.87 1wm4 h ASN 15 N -0.04 0.49 -0.93 -2.11 -0.26 -1.45 -3.23 115.58 108.04 1wm4 h ASN 15 Ca 0.32 -0.55 0.21 0.00 -0.56 0.00 0.00 56.30 55.73 1wm4 h ASN 15 Cb 0.55 -0.14 -0.17 0.00 -1.06 0.00 0.00 38.32 37.49 1wm4 h ASN 15 CO -0.75 0.94 -0.12 0.25 -1.06 0.00 0.00 177.43 176.69 1wm4 h LEU 16 N 0.06 -0.69 0.00 1.61 5.85 -1.07 2.19 115.31 123.26 1wm4 h LEU 16 Ca 0.01 0.27 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1wm4 h LEU 16 Cb 0.85 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1wm4 h LEU 16 CO 0.06 -0.31 0.06 1.33 -0.34 0.00 0.00 178.44 179.24 1wm4 n VAL 17 N -5.53 0.57 0.41 1.05 0.24 -0.96 -0.25 118.33 113.86 1wm4 n VAL 17 Ca 0.17 0.21 0.13 0.00 -2.04 0.00 0.00 64.34 62.81 1wm4 n VAL 17 Cb 0.56 -1.21 0.40 0.00 -1.47 0.00 0.00 33.84 32.12 1wm4 n VAL 17 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wm4 h ARG 18 N 0.00 0.00 0.00 7.34 2.43 0.35 -3.42 114.38 121.08 1wm4 h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wm4 h ARG 18 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1wm4 h ARG 18 CO 0.00 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 174.99 1wm4 n ASP 19 N -2.64 0.00 -3.51 -3.80 -0.08 0.66 -4.80 116.55 102.37 1wm4 n ASP 19 Ca 0.04 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.92 1wm4 n ASP 19 Cb 0.40 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.88 1wm4 n ASP 19 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wm4 n ASP 20 N 0.00 7.03 -2.53 1.67 2.03 -1.26 -4.75 116.55 118.73 1wm4 n ASP 20 Ca 0.00 -3.70 -0.11 0.00 0.52 0.00 0.00 54.79 51.51 1wm4 n ASP 20 Cb 0.00 -1.09 0.06 0.00 -0.72 0.00 0.00 41.12 39.37 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wm4 n GLY 21 N -0.11 -0.09 0.23 0.27 0.00 -1.26 -4.94 105.19 99.30 1wm4 n GLY 21 Ca 0.45 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 1wm4 n GLY 21 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wm4 h SER 22 N -1.15 0.95 -0.16 1.61 0.02 -1.88 -3.50 113.55 109.44 1wm4 h SER 22 Ca -0.37 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1wm4 h SER 22 Cb 1.21 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1wm4 h SER 22 CO 0.31 1.37 0.00 0.00 -1.14 0.00 0.00 176.83 177.37 1wm4 n ALA 23 N -2.59 0.00 -3.99 3.77 0.00 -1.26 -5.05 120.51 111.39 1wm4 n ALA 23 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1wm4 n ALA 23 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 9.00 -1.73 -0.32 0.00 3.14 -1.24 -4.66 118.33 122.51 1wm4 n VAL 24 Ca 0.00 -0.44 0.23 0.00 -2.96 0.00 0.00 64.34 61.17 1wm4 n VAL 24 Cb 0.00 -1.50 0.45 0.00 -1.06 0.00 0.00 33.84 31.74 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 -1.31 0.18 -3.79 1.55 2.10 -0.65 -3.43 117.51 112.16 1wm4 h ILE 25 Ca -0.54 -0.06 -0.09 0.00 1.08 0.00 0.00 64.86 65.25 1wm4 h ILE 25 Cb 1.08 -0.00 -0.11 0.00 -1.09 0.00 0.00 36.82 36.69 1wm4 h ILE 25 CO 0.43 0.03 -0.24 -1.66 -1.08 0.00 0.00 178.15 175.63 1wm4 s TRP 26 N -5.71 0.37 0.00 2.19 1.48 -1.23 -4.30 118.94 111.75 1wm4 s TRP 26 Ca -0.10 -0.72 0.01 0.00 -1.06 0.00 0.00 56.10 54.22 1wm4 s TRP 26 Cb 0.30 0.03 -0.01 0.00 -1.16 0.00 0.00 33.47 32.64 1wm4 s TRP 26 CO 0.78 -0.81 -0.04 0.14 -4.06 0.00 0.00 176.95 172.96 1wm4 s VAL 27 N -3.98 0.26 -0.01 -0.66 -7.23 -1.25 -3.08 120.40 104.45 1wm4 s VAL 27 Ca 0.19 -0.29 0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1wm4 s VAL 27 Cb 0.02 -0.25 -0.01 0.00 0.56 0.00 0.00 36.38 36.70 1wm4 s VAL 27 CO 0.03 -0.02 -0.14 0.42 -0.31 0.00 0.00 175.10 175.07 1wm4 s THR 28 N -0.31 1.11 -0.12 5.32 -4.23 -1.14 -3.89 115.64 112.38 1wm4 s THR 28 Ca -0.01 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1wm4 s THR 28 Cb -0.03 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.89 1wm4 s THR 28 CO -0.00 0.30 -0.18 0.72 -0.54 0.00 0.00 174.62 174.92 1wm4 s PHE 29 N -0.35 2.27 0.03 3.99 -0.71 -1.26 0.01 117.98 121.97 1wm4 s PHE 29 Ca 0.05 -1.11 -0.01 0.00 -1.04 0.00 0.00 56.93 54.83 1wm4 s PHE 29 Cb -0.06 -1.59 -0.04 0.00 -1.21 0.00 0.00 43.02 40.12 1wm4 s PHE 29 CO -0.00 -0.53 0.20 -0.98 -1.34 0.00 0.00 175.22 172.56 1wm4 s ARG 30 N 0.91 3.43 -0.58 1.99 1.70 -1.00 -4.26 118.95 121.15 1wm4 s ARG 30 Ca -0.07 -0.39 -0.26 0.00 -0.47 0.00 0.00 55.73 54.54 1wm4 s ARG 30 Cb -0.15 -3.06 -0.10 0.00 -0.57 0.00 0.00 34.95 31.07 1wm4 s ARG 30 CO -0.02 0.64 2.44 0.66 -1.08 0.00 0.00 175.30 177.94 1wm4 n TYR 31 N 0.57 1.30 -3.33 5.89 4.02 -1.26 -3.57 117.16 120.78 1wm4 n TYR 31 Ca -0.07 0.13 -0.45 0.00 -0.01 0.00 0.00 57.90 57.49 1wm4 n TYR 31 Cb 0.52 -2.59 -0.06 0.00 -0.02 0.00 0.00 39.34 37.19 1wm4 n TYR 31 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1wm4 s ASP 32 N 11.66 6.18 1.29 7.72 1.01 -1.04 -4.92 116.67 138.57 1wm4 s ASP 32 Ca 1.01 -1.58 0.00 0.00 0.71 0.00 0.00 52.55 52.70 1wm4 s ASP 32 Cb -0.28 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1wm4 s ASP 32 CO 0.26 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.46 1wm4 n GLY 33 N 5.23 1.86 1.02 0.21 0.00 -1.26 -2.87 105.19 109.38 1wm4 n GLY 33 Ca -0.13 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 10.41 2.97 -3.14 4.61 0.00 -1.26 -4.95 120.51 129.14 1wm4 n ALA 34 Ca 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 53.44 51.28 1wm4 n ALA 34 Cb 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.44 0.16 -0.34 0.00 2.01 -1.14 -4.21 115.64 109.68 1wm4 s THR 35 Ca 0.41 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.10 1wm4 s THR 35 Cb 0.31 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.66 1wm4 s THR 35 CO 0.12 0.08 1.10 -0.63 -0.69 0.00 0.00 174.62 174.60 1wm4 s ILE 36 N 0.33 4.44 0.05 1.82 1.09 -0.81 -2.48 121.20 125.64 1wm4 s ILE 36 Ca -0.03 1.64 0.02 0.00 -1.10 0.00 0.00 60.65 61.18 1wm4 s ILE 36 Cb -0.05 -4.43 -0.03 0.00 -1.06 0.00 0.00 42.46 36.89 1wm4 s ILE 36 CO -0.01 -0.56 -0.08 0.68 -0.10 0.00 0.00 174.94 174.87 1wm4 s VAL 37 N 3.82 0.62 0.46 2.92 -7.23 -1.23 -3.49 120.40 116.26 1wm4 s VAL 37 Ca 0.46 -1.18 -0.13 0.00 -1.81 0.00 0.00 61.98 59.33 1wm4 s VAL 37 Cb -0.12 -0.75 -0.11 0.00 0.56 0.00 0.00 36.38 35.97 1wm4 s VAL 37 CO 0.18 -0.41 -0.21 -2.65 -0.31 0.00 0.00 175.10 171.70 1wm4 n PRO 38 N 1.32 0.00 0.04 4.82 -0.02 -1.26 -2.37 135.00 137.52 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 -0.73 0.00 0.00 -0.02 0.00 0.00 33.50 33.30 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 2.00 -0.08 3.37 -1.23 0.00 0.10 -4.39 105.19 104.96 1wm4 n GLY 39 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1wm4 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wm4 s ASP 40 N -5.09 1.44 0.00 1.61 -1.08 -1.13 -5.00 116.67 107.42 1wm4 s ASP 40 Ca 0.00 -1.68 0.00 0.00 -0.52 0.00 0.00 52.55 50.35 1wm4 s ASP 40 Cb 0.00 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 42.07 1wm4 s ASP 40 CO 0.00 -1.18 0.00 0.00 0.52 0.00 0.00 175.17 174.51 1wm4 n GLN 41 N -0.62 0.00 -3.64 4.34 0.00 -1.26 -2.87 117.38 113.33 1wm4 n GLN 41 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 56.99 1wm4 n GLN 41 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.79 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 -0.60 -0.36 0.00 2.61 0.00 -1.18 -4.76 107.32 103.04 1wm4 s GLY 42 Ca 0.00 2.68 0.17 0.00 0.00 0.00 0.00 44.72 47.57 1wm4 s GLY 42 CO 0.00 2.37 0.88 0.00 0.00 0.00 0.00 173.10 176.35 1wm4 n ALA 43 N 3.79 3.30 -2.76 3.20 0.00 -1.26 0.03 120.51 126.81 1wm4 n ALA 43 Ca -0.18 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 1wm4 n ALA 43 Cb 0.58 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 1wm4 n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wm4 s ASP 44 N -2.02 0.02 0.06 0.00 1.11 -1.26 -4.59 116.67 109.99 1wm4 s ASP 44 Ca 0.14 -0.82 0.26 0.00 0.18 0.00 0.00 52.55 52.31 1wm4 s ASP 44 Cb 0.14 0.44 1.06 0.00 1.07 0.00 0.00 42.92 45.62 1wm4 s ASP 44 CO 0.45 -0.90 1.83 0.00 1.18 0.00 0.00 175.17 177.73 1wm4 n TYR 45 N -0.22 0.27 0.11 4.23 4.11 -1.26 -3.13 117.16 121.27 1wm4 n TYR 45 Ca -0.08 0.08 -0.04 0.00 -0.00 0.00 0.00 57.90 57.86 1wm4 n TYR 45 Cb 0.63 -0.63 0.10 0.00 -0.00 0.00 0.00 39.34 39.44 1wm4 n TYR 45 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.86 178.82 1wm4 h GLN 46 N 0.00 0.10 0.10 -3.48 1.08 -2.01 -3.27 115.11 107.63 1wm4 h GLN 46 Ca 0.00 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1wm4 h GLN 46 Cb 0.53 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1wm4 h GLN 46 CO 0.00 0.75 -0.05 1.25 -0.95 0.00 0.00 178.83 179.83 1wm4 h HIS 47 N 0.07 -0.12 -1.22 2.96 2.76 -1.94 -2.89 115.15 114.77 1wm4 h HIS 47 Ca -0.01 -0.00 0.40 0.00 -2.20 0.00 0.00 60.37 58.55 1wm4 h HIS 47 Cb 1.23 0.04 -0.13 0.00 1.55 0.00 0.00 27.41 30.10 1wm4 h HIS 47 CO 0.01 0.31 0.77 0.27 -1.30 0.00 0.00 177.93 177.99 1wm4 h PHE 48 N -0.61 0.61 -0.68 5.26 -5.15 -1.69 1.63 116.94 116.31 1wm4 h PHE 48 Ca -0.01 0.03 -0.05 0.00 -0.20 0.00 0.00 57.97 57.74 1wm4 h PHE 48 Cb 0.49 -0.15 -0.03 0.00 0.22 0.00 0.00 35.95 36.47 1wm4 h PHE 48 CO 0.07 -0.18 0.24 0.82 -2.00 0.00 0.00 178.31 177.26 1wm4 h ILE 49 N 0.15 1.25 0.00 0.88 1.08 -1.56 -1.95 117.51 117.36 1wm4 h ILE 49 Ca 0.78 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1wm4 h ILE 49 Cb 2.29 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1wm4 h ILE 49 CO -0.45 0.32 -0.56 -0.61 -0.69 0.00 0.00 178.15 176.17 1wm4 h GLN 50 N 0.97 0.00 -2.38 2.37 -0.00 0.10 -3.36 115.11 112.82 1wm4 h GLN 50 Ca 0.22 0.00 -0.80 0.00 -0.00 0.00 0.00 58.65 58.07 1wm4 h GLN 50 Cb 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 27.48 27.48 1wm4 h GLN 50 CO -0.01 0.00 1.11 1.04 0.00 0.00 0.00 178.83 180.96 1wm4 n GLN 51 N -2.25 5.25 -2.65 1.69 1.13 0.47 -4.41 117.38 116.61 1wm4 n GLN 51 Ca 0.03 -4.56 -0.02 0.00 -1.94 0.00 0.00 57.00 50.50 1wm4 n GLN 51 Cb 0.46 -2.49 0.07 0.00 0.11 0.00 0.00 30.24 28.38 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 4.31 -1.77 0.00 -4.23 -1.26 -4.82 115.64 107.87 1wm4 s THR 53 Ca 0.13 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1wm4 s THR 53 Cb 0.20 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1wm4 s THR 53 CO -0.15 -0.73 0.58 -0.90 -0.54 0.00 0.00 174.62 172.88 1wm4 n ASP 54 N -2.06 0.15 -0.90 3.99 5.75 -1.26 -2.63 116.55 119.59 1wm4 n ASP 54 Ca 0.07 -1.31 0.12 0.00 -0.01 0.00 0.00 54.79 53.66 1wm4 n ASP 54 Cb 0.54 -0.08 0.20 0.00 -1.03 0.00 0.00 41.12 40.75 1wm4 n ASP 54 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1wm4 n ASP 55 N -0.34 2.79 -3.01 -1.12 8.00 -1.26 -1.06 116.55 120.54 1wm4 n ASP 55 Ca 0.00 -1.91 -0.15 0.00 0.71 0.00 0.00 54.79 53.44 1wm4 n ASP 55 Cb 0.04 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1wm4 n VAL 56 N 1.15 0.00 -3.85 2.53 3.14 -1.08 -4.35 118.33 115.86 1wm4 n VAL 56 Ca 0.16 -1.81 -0.12 0.00 -2.96 0.00 0.00 64.34 59.61 1wm4 n VAL 56 Cb 0.55 1.11 -0.14 0.00 -1.06 0.00 0.00 33.84 34.29 1wm4 n VAL 56 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wm4 s ARG 57 N -2.82 0.00 0.03 1.45 1.70 -1.26 -0.87 118.95 117.19 1wm4 s ARG 57 Ca 0.30 0.03 -0.29 0.00 -0.47 0.00 0.00 55.73 55.30 1wm4 s ARG 57 Cb -0.01 -0.03 0.10 0.00 -0.57 0.00 0.00 34.95 34.44 1wm4 s ARG 57 CO 0.21 -0.02 1.16 -0.48 -1.08 0.00 0.00 175.30 175.09 1wm4 s LEU 58 N 0.15 -0.11 0.12 -1.89 0.05 -0.16 -4.45 118.68 112.39 1wm4 s LEU 58 Ca -0.01 -0.22 0.02 0.00 0.05 0.00 0.00 54.13 53.97 1wm4 s LEU 58 Cb -0.02 1.67 -0.04 0.00 -2.05 0.00 0.00 46.19 45.75 1wm4 s LEU 58 CO -0.00 -0.51 0.23 -0.36 -0.55 0.00 0.00 176.35 175.15 1wm4 s PHE 59 N -2.74 3.44 0.14 3.48 0.40 -1.26 0.15 117.98 121.59 1wm4 s PHE 59 Ca 0.13 0.14 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 1wm4 s PHE 59 Cb 0.02 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1wm4 s PHE 59 CO -0.02 0.54 -0.21 0.00 0.70 0.00 0.00 175.22 176.23 1wm4 s ALA 60 N -1.64 2.02 -0.31 5.36 0.00 0.69 -4.22 121.76 123.66 1wm4 s ALA 60 Ca 0.34 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1wm4 s ALA 60 Cb -0.12 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.87 1wm4 s ALA 60 CO 0.27 0.34 0.17 -0.06 0.00 0.00 0.00 175.76 176.49 1wm4 s PHE 61 N -1.52 0.41 -0.04 0.00 0.08 -1.25 0.44 117.98 116.09 1wm4 s PHE 61 Ca 0.12 -1.10 0.01 0.00 0.12 0.00 0.00 56.93 56.08 1wm4 s PHE 61 Cb -0.08 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.52 1wm4 s PHE 61 CO 0.06 -0.84 -0.05 0.54 -0.10 0.00 0.00 175.22 174.83 1wm4 s VAL 62 N 1.74 0.58 0.39 -0.44 0.11 -1.25 -3.78 120.40 117.75 1wm4 s VAL 62 Ca 0.12 -0.15 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 1wm4 s VAL 62 Cb -0.18 -0.59 -0.09 0.00 -1.53 0.00 0.00 36.38 33.99 1wm4 s VAL 62 CO -0.23 0.23 1.24 0.00 -3.33 0.00 0.00 175.10 173.01 1wm4 s ARG 63 N 0.87 4.07 0.22 1.54 1.70 -1.26 -4.30 118.95 121.78 1wm4 s ARG 63 Ca -0.12 2.02 0.11 0.00 -0.47 0.00 0.00 55.73 57.27 1wm4 s ARG 63 Cb -0.14 -2.77 -0.05 0.00 -0.57 0.00 0.00 34.95 31.42 1wm4 s ARG 63 CO 0.01 -0.36 -0.20 -0.06 -1.08 0.00 0.00 175.30 173.61 1wm4 s PHE 64 N -1.31 2.37 0.01 5.89 0.08 -0.55 -4.91 117.98 119.57 1wm4 s PHE 64 Ca 0.56 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 57.00 1wm4 s PHE 64 Cb -0.35 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 1wm4 s PHE 64 CO 0.45 0.56 0.90 0.99 -0.10 0.00 0.00 175.22 178.02 1wm4 s THR 65 N -1.91 4.81 -0.91 0.64 2.01 -1.26 0.18 115.64 119.20 1wm4 s THR 65 Ca 0.24 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 64.13 1wm4 s THR 65 Cb -0.07 -4.25 0.23 0.00 0.01 0.00 0.00 72.50 68.42 1wm4 s THR 65 CO 0.12 0.23 0.86 1.07 -0.69 0.00 0.00 174.62 176.21 1wm4 n THR 66 N 3.53 3.24 -0.58 -0.82 5.66 -1.26 -4.79 114.28 119.26 1wm4 n THR 66 Ca 0.03 -5.20 0.00 0.00 -3.05 0.00 0.00 64.05 55.83 1wm4 n THR 66 Cb 0.51 -2.35 0.00 0.00 -1.55 0.00 0.00 70.33 66.94 1wm4 n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wm4 n GLY 67 N 2.14 -1.12 3.53 1.09 0.00 -1.26 -4.81 105.19 104.75 1wm4 n GLY 67 Ca 0.23 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1wm4 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wm4 n ASP 68 N 0.00 0.06 -3.98 1.61 5.75 -1.26 -4.83 116.55 113.90 1wm4 n ASP 68 Ca 0.00 -0.91 -0.12 0.00 -0.01 0.00 0.00 54.79 53.75 1wm4 n ASP 68 Cb 0.00 -1.04 -0.12 0.00 -1.03 0.00 0.00 41.12 38.92 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wm4 s ALA 69 N 6.84 0.30 0.00 2.12 0.00 -1.26 -5.00 121.76 124.75 1wm4 s ALA 69 Ca 1.15 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 1wm4 s ALA 69 Cb -0.55 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1wm4 s ALA 69 CO 0.36 -0.04 0.85 -1.33 0.00 0.00 0.00 175.76 175.60 1wm4 n MET 70 N 2.08 0.39 -0.00 0.00 2.81 -1.26 -3.35 117.12 117.79 1wm4 n MET 70 Ca -0.19 -0.09 0.09 0.00 -1.81 0.00 0.00 57.70 55.69 1wm4 n MET 70 Cb 0.56 -1.44 -0.11 0.00 -0.71 0.00 0.00 33.22 31.52 1wm4 n MET 70 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1wm4 n SER 71 N 2.16 0.85 -4.11 7.83 7.64 -1.26 -4.99 113.62 121.74 1wm4 n SER 71 Ca 0.04 -0.83 -0.33 0.00 1.01 0.00 0.00 58.87 58.76 1wm4 n SER 71 Cb 0.19 1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 64.45 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 -1.52 -1.45 -0.09 1.43 5.02 -1.21 -4.85 118.16 115.48 1wm4 n LYS 72 Ca 0.03 0.20 -0.19 0.00 -2.02 0.00 0.00 58.31 56.33 1wm4 n LYS 72 Cb 0.31 -3.66 -0.06 0.00 -0.02 0.00 0.00 35.03 31.60 1wm4 n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wm4 n ARG 73 N -4.61 0.38 -1.60 1.97 3.00 -1.26 -5.12 116.66 109.42 1wm4 n ARG 73 Ca -0.26 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1wm4 n ARG 73 Cb 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.98 1wm4 n ARG 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1wm4 n SER 74 N -3.80 -8.28 -4.92 6.15 3.41 -1.26 -4.97 113.62 99.95 1wm4 n SER 74 Ca -0.35 1.74 -0.20 0.00 -0.26 0.00 0.00 58.87 59.81 1wm4 n SER 74 Cb 0.75 -5.05 -0.02 0.00 -0.26 0.00 0.00 64.21 59.63 1wm4 n SER 74 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1wm4 s LYS 75 N -5.11 2.62 -0.06 4.33 2.20 0.47 -4.82 119.74 119.38 1wm4 s LYS 75 Ca 0.00 -1.45 0.00 0.00 -0.36 0.00 0.00 55.97 54.17 1wm4 s LYS 75 Cb 0.00 -2.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.84 1wm4 s LYS 75 CO 0.00 -0.23 -0.04 -0.06 -0.36 0.00 0.00 175.35 174.66 1wm4 s PHE 76 N -2.44 0.81 0.17 4.03 0.40 -1.26 -1.49 117.98 118.20 1wm4 s PHE 76 Ca 0.50 -0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 56.53 1wm4 s PHE 76 Cb -0.05 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 1wm4 s PHE 76 CO 0.30 -0.25 0.22 0.00 0.70 0.00 0.00 175.22 176.19 1wm4 s ALA 77 N 1.20 0.40 0.13 5.36 0.00 -1.26 0.36 121.76 127.95 1wm4 s ALA 77 Ca -0.06 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1wm4 s ALA 77 Cb -0.14 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1wm4 s ALA 77 CO -0.02 -0.62 -0.11 -1.17 0.00 0.00 0.00 175.76 173.85 1wm4 s LEU 78 N -3.03 2.97 -0.06 0.00 0.20 -0.94 -3.81 118.68 114.02 1wm4 s LEU 78 Ca 0.23 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.61 1wm4 s LEU 78 Cb 0.05 -1.74 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 1wm4 s LEU 78 CO 0.03 0.15 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.48 1wm4 s ILE 79 N -1.36 1.19 -0.24 6.68 1.01 0.17 0.87 121.20 129.52 1wm4 s ILE 79 Ca 0.22 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1wm4 s ILE 79 Cb -0.10 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1wm4 s ILE 79 CO 0.14 0.36 0.14 -0.89 0.00 0.00 0.00 174.94 174.69 1wm4 s THR 80 N 0.45 5.19 -0.37 2.92 2.01 -0.69 0.25 115.64 125.41 1wm4 s THR 80 Ca -0.11 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1wm4 s THR 80 Cb -0.14 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 68.96 1wm4 s THR 80 CO 0.03 0.35 0.23 0.86 -0.69 0.00 0.00 174.62 175.40 1wm4 s TRP 81 N 1.10 3.23 -0.60 4.92 -0.11 0.40 -2.67 118.94 125.21 1wm4 s TRP 81 Ca 0.07 -0.66 -0.05 0.00 1.22 0.00 0.00 56.10 56.67 1wm4 s TRP 81 Cb -0.14 -2.47 0.16 0.00 -1.50 0.00 0.00 33.47 29.51 1wm4 s TRP 81 CO 0.05 -0.55 0.44 0.42 -4.62 0.00 0.00 176.95 172.68 1wm4 s ILE 82 N 1.63 4.01 0.70 5.86 -1.09 -1.23 -0.99 121.20 130.09 1wm4 s ILE 82 Ca 0.04 -2.57 -0.15 0.00 -2.23 0.00 0.00 60.65 55.74 1wm4 s ILE 82 Cb -0.18 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1wm4 s ILE 82 CO 0.08 -0.86 1.19 -0.83 -1.23 0.00 0.00 174.94 173.29 1wm4 s GLY 83 N 1.39 2.34 -0.86 6.18 0.00 -0.05 -4.75 107.32 111.57 1wm4 s GLY 83 Ca 0.14 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1wm4 s GLY 83 CO -0.04 1.21 1.70 1.18 0.00 0.00 0.00 173.10 177.15 1wm4 n GLU 84 N -2.56 4.19 0.00 2.90 1.02 -0.23 -4.43 120.64 121.53 1wm4 n GLU 84 Ca 0.13 -4.35 0.00 0.00 -0.02 0.00 0.00 57.16 52.91 1wm4 n GLU 84 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 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 -0.26 0.00 -4.10 1.62 2.03 -1.23 -4.95 116.55 109.66 1wm4 n ASP 85 Ca 0.46 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.40 1wm4 n ASP 85 Cb 0.30 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.74 1wm4 n ASP 85 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wm4 n VAL 86 N -1.40 0.07 -0.63 5.18 3.14 -1.26 -4.91 118.33 118.50 1wm4 n VAL 86 Ca 0.00 -0.48 -0.19 0.00 -2.96 0.00 0.00 64.34 60.71 1wm4 n VAL 86 Cb 0.00 -0.05 0.16 0.00 -1.06 0.00 0.00 33.84 32.89 1wm4 n VAL 86 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1wm4 n SER 87 N 2.90 -2.18 0.13 6.55 3.41 -1.26 -4.94 113.62 118.23 1wm4 n SER 87 Ca 0.02 -0.81 0.06 0.00 -0.26 0.00 0.00 58.87 57.88 1wm4 n SER 87 Cb 0.53 -0.62 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wm4 h GLY 88 N -2.10 0.00 0.00 5.00 0.00 -2.01 -3.39 103.07 100.57 1wm4 h GLY 88 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1wm4 h GLY 88 CO 0.16 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.74 1wm4 n LEU 89 N -3.00 0.00 0.22 3.11 4.32 -1.26 0.46 117.00 120.85 1wm4 n LEU 89 Ca -0.00 1.00 0.14 0.00 -0.02 0.00 0.00 56.01 57.12 1wm4 n LEU 89 Cb 0.66 -0.50 0.54 0.00 -1.62 0.00 0.00 43.42 42.50 1wm4 n LEU 89 CO 0.39 -0.50 1.12 1.56 -1.22 0.00 0.00 177.39 178.74 1wm4 h GLN 90 N 0.00 0.00 -0.51 3.23 4.20 -1.97 0.12 115.11 120.18 1wm4 h GLN 90 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1wm4 h GLN 90 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1wm4 h GLN 90 CO 0.00 0.00 0.30 -0.09 -0.67 0.00 0.00 178.83 178.37 1wm4 h ARG 91 N 0.00 0.59 0.03 1.46 2.43 -0.17 1.43 114.38 120.14 1wm4 h ARG 91 Ca 0.10 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.98 1wm4 h ARG 91 Cb 1.38 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1wm4 h ARG 91 CO -0.00 0.39 -1.04 0.00 -1.51 0.00 0.00 179.97 177.81 1wm4 h ALA 92 N 1.23 0.23 0.09 2.80 0.00 -0.69 -3.08 119.26 119.84 1wm4 h ALA 92 Ca 0.21 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1wm4 h ALA 92 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wm4 h ALA 92 CO -0.10 0.78 -0.05 0.87 0.00 0.00 0.00 179.25 180.75 1wm4 h LYS 93 N 0.27 -0.12 -0.57 0.00 1.57 -1.31 -3.18 116.57 113.23 1wm4 h LYS 93 Ca -0.11 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1wm4 h LYS 93 Cb 1.69 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.92 1wm4 h LYS 93 CO 0.19 0.40 -0.41 1.15 -0.57 0.00 0.00 179.45 180.21 1wm4 h THR 94 N -0.81 0.11 -0.55 -0.16 2.02 0.18 0.77 112.91 114.47 1wm4 h THR 94 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1wm4 h THR 94 Cb 0.58 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.01 1wm4 h THR 94 CO 0.02 0.00 -0.56 1.23 0.37 0.00 0.00 175.52 176.58 1wm4 h GLY 95 N -0.22 -0.99 0.81 2.16 0.00 -1.62 1.25 103.07 104.46 1wm4 h GLY 95 Ca 0.19 0.74 -0.00 0.00 0.00 0.00 0.00 47.33 48.26 1wm4 h GLY 95 CO -0.68 -0.09 -0.03 -0.84 0.00 0.00 0.00 176.54 174.90 1wm4 h THR 96 N -0.29 1.07 -0.40 4.70 2.02 -1.18 -3.10 112.91 115.73 1wm4 h THR 96 Ca 0.09 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 66.89 1wm4 h THR 96 Cb 0.54 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1wm4 h THR 96 CO -0.67 0.11 0.17 -0.78 0.37 0.00 0.00 175.52 174.71 1wm4 h ASP 97 N -0.27 0.21 -1.16 4.18 3.58 0.13 1.00 116.42 124.09 1wm4 h ASP 97 Ca -0.01 0.03 0.33 0.00 0.42 0.00 0.00 57.03 57.80 1wm4 h ASP 97 Cb 0.24 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.21 1wm4 h ASP 97 CO 0.01 0.16 0.79 0.07 -2.88 0.00 0.00 179.24 177.40 1wm4 h LYS 98 N 0.35 0.17 -0.98 0.28 2.10 0.16 1.76 116.57 120.41 1wm4 h LYS 98 Ca 0.18 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.83 1wm4 h LYS 98 Cb 0.13 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.37 1wm4 h LYS 98 CO -0.16 0.11 0.65 1.15 -2.00 0.00 0.00 179.45 179.20 1wm4 h THR 99 N 0.17 1.24 -0.01 0.07 2.02 -0.72 -0.75 112.91 114.93 1wm4 h THR 99 Ca 0.61 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1wm4 h THR 99 Cb 2.02 -0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1wm4 h THR 99 CO -0.17 0.24 -0.52 -0.07 0.37 0.00 0.00 175.52 175.37 1wm4 h LEU 100 N 1.32 -1.61 -0.56 2.58 3.38 0.28 0.49 115.31 121.18 1wm4 h LEU 100 Ca 0.36 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.61 1wm4 h LEU 100 Cb -0.14 0.61 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1wm4 h LEU 100 CO -0.08 -0.50 0.16 0.58 0.09 0.00 0.00 178.44 178.68 1wm4 h VAL 101 N -0.64 0.73 0.00 1.22 2.07 -1.41 1.58 116.25 119.80 1wm4 h VAL 101 Ca 0.01 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1wm4 h VAL 101 Cb 0.69 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1wm4 h VAL 101 CO -0.35 0.06 0.00 1.17 0.02 0.00 0.00 177.57 178.46 1wm4 n LYS 102 N -5.07 0.27 -0.13 1.57 4.81 0.25 -2.39 118.16 117.47 1wm4 n LYS 102 Ca 0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.28 1wm4 n LYS 102 Cb 0.27 -1.11 -0.11 0.00 0.02 0.00 0.00 35.03 34.10 1wm4 n LYS 102 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1wm4 n GLU 103 N -0.61 0.62 -3.02 1.64 2.13 0.54 -4.73 120.64 117.21 1wm4 n GLU 103 Ca 0.01 0.20 -0.24 0.00 0.66 0.00 0.00 57.16 57.79 1wm4 n GLU 103 Cb 0.01 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.17 1wm4 n GLU 103 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wm4 n VAL 104 N -3.71 2.11 -3.74 6.31 0.31 -1.00 -4.99 118.33 113.61 1wm4 n VAL 104 Ca -0.50 -5.29 -0.30 0.00 -0.01 0.00 0.00 64.34 58.24 1wm4 n VAL 104 Cb 0.94 -1.06 -0.14 0.00 -0.91 0.00 0.00 33.84 32.67 1wm4 n VAL 104 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wm4 s VAL 105 N -3.86 1.12 0.00 2.52 1.01 -1.20 -4.90 120.40 115.09 1wm4 s VAL 105 Ca 0.46 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1wm4 s VAL 105 Cb 0.30 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1wm4 s VAL 105 CO -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 175.10 174.24 1wm4 n GLN 106 N 4.42 1.71 -0.03 2.72 6.02 -1.26 -4.69 117.38 126.26 1wm4 n GLN 106 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1wm4 n GLN 106 Cb 0.40 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.66 1wm4 n GLN 106 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wm4 n ASN 107 N -2.27 0.54 -4.01 1.08 5.15 -1.26 -4.61 115.26 109.88 1wm4 n ASN 107 Ca 0.00 -0.76 -0.10 0.00 -0.60 0.00 0.00 54.58 53.13 1wm4 n ASN 107 Cb 0.50 -0.11 -0.11 0.00 -0.53 0.00 0.00 39.78 39.53 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1wm4 s PHE 108 N 1.35 0.36 -0.04 1.20 -0.71 -1.26 -4.84 117.98 114.04 1wm4 s PHE 108 Ca 0.00 -0.56 -0.21 0.00 -1.04 0.00 0.00 56.93 55.12 1wm4 s PHE 108 Cb 0.00 -0.25 -0.31 0.00 -1.21 0.00 0.00 43.02 41.26 1wm4 s PHE 108 CO 0.00 -0.18 0.93 0.00 -1.34 0.00 0.00 175.22 174.63 1wm4 h ALA 109 N 4.51 -0.08 -2.87 1.99 0.00 0.62 -3.48 119.26 119.96 1wm4 h ALA 109 Ca -0.33 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 1wm4 h ALA 109 Cb 1.20 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 1wm4 h ALA 109 CO 0.43 0.39 0.24 0.21 0.00 0.00 0.00 179.25 180.52 1wm4 s LYS 110 N -2.53 1.21 0.20 0.00 2.20 -1.19 -5.04 119.74 114.60 1wm4 s LYS 110 Ca -0.13 -0.42 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 1wm4 s LYS 110 Cb 0.01 0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 36.86 1wm4 s LYS 110 CO 0.84 -0.52 0.20 -1.83 -0.36 0.00 0.00 175.35 173.67 1wm4 s GLU 111 N -3.55 3.02 0.00 4.03 -1.05 -1.26 -2.21 118.70 117.68 1wm4 s GLU 111 Ca 0.01 -0.90 0.07 0.00 -0.15 0.00 0.00 54.97 54.00 1wm4 s GLU 111 Cb -0.01 -2.67 -0.03 0.00 -0.44 0.00 0.00 34.13 30.99 1wm4 s GLU 111 CO -0.11 0.45 -0.22 -0.06 0.95 0.00 0.00 175.26 176.27 1wm4 s PHE 112 N -1.92 2.47 -0.50 4.83 0.40 0.25 -4.85 117.98 118.65 1wm4 s PHE 112 Ca 0.32 -0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1wm4 s PHE 112 Cb -0.09 -1.49 0.13 0.00 0.51 0.00 0.00 43.02 42.08 1wm4 s PHE 112 CO 0.25 0.12 0.33 0.08 0.70 0.00 0.00 175.22 176.71 1wm4 s VAL 113 N -0.76 3.76 0.11 -0.44 1.01 -1.26 -1.70 120.40 121.13 1wm4 s VAL 113 Ca 0.12 -2.24 0.03 0.00 0.00 0.00 0.00 61.98 59.89 1wm4 s VAL 113 Cb -0.10 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1wm4 s VAL 113 CO 0.02 -0.78 0.16 -0.63 0.00 0.00 0.00 175.10 173.86 1wm4 s ILE 114 N 0.84 4.83 0.00 2.22 -1.09 -1.09 -4.98 121.20 121.93 1wm4 s ILE 114 Ca 0.10 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1wm4 s ILE 114 Cb -0.22 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1wm4 s ILE 114 CO -0.03 0.02 0.27 -1.54 -1.23 0.00 0.00 174.94 172.43 1wm4 n SER 115 N 0.01 0.02 -3.47 3.58 3.41 -1.26 -3.51 113.62 112.40 1wm4 n SER 115 Ca -0.08 -1.01 -0.14 0.00 -0.26 0.00 0.00 58.87 57.38 1wm4 n SER 115 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1wm4 n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wm4 s ASP 116 N -0.01 -0.60 0.50 4.04 2.15 -1.26 -4.85 116.67 116.65 1wm4 s ASP 116 Ca 0.00 0.32 0.27 0.00 0.43 0.00 0.00 52.55 53.58 1wm4 s ASP 116 Cb 0.00 0.56 1.31 0.00 -0.30 0.00 0.00 42.92 44.49 1wm4 s ASP 116 CO 0.00 -0.79 2.00 0.03 -0.17 0.00 0.00 175.17 176.24 1wm4 h ARG 117 N 2.45 0.00 0.00 4.34 3.08 -1.99 -1.94 114.38 120.33 1wm4 h ARG 117 Ca -0.30 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1wm4 h ARG 117 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1wm4 h ARG 117 CO 0.38 0.15 -0.14 0.87 -1.07 0.00 0.00 179.97 180.15 1wm4 h LYS 118 N 0.00 0.00 -0.01 0.04 1.57 -2.00 -1.81 116.57 114.37 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 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1wm4 h LYS 118 CO 0.02 0.14 -0.06 0.39 -0.57 0.00 0.00 179.45 179.37 1wm4 n GLU 119 N -3.36 1.16 -0.83 3.15 1.02 -0.73 -3.56 120.64 117.49 1wm4 n GLU 119 Ca -0.00 -0.51 -0.04 0.00 -0.02 0.00 0.00 57.16 56.59 1wm4 n GLU 119 Cb 0.35 -1.49 0.25 0.00 -0.02 0.00 0.00 31.44 30.52 1wm4 n GLU 119 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wm4 n LEU 120 N -0.47 4.99 -4.81 -4.62 4.77 -0.68 -4.57 117.00 111.61 1wm4 n LEU 120 Ca 0.18 -3.39 -0.35 0.00 -0.03 0.00 0.00 56.01 52.41 1wm4 n LEU 120 Cb 0.28 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1wm4 n LEU 120 CO 0.20 0.95 0.53 -1.61 -1.33 0.00 0.00 177.39 176.12 1wm4 s GLU 121 N -3.07 4.31 0.13 3.23 2.02 -1.23 -4.87 118.70 119.21 1wm4 s GLU 121 Ca 0.49 1.02 -0.27 0.00 0.02 0.00 0.00 54.97 56.23 1wm4 s GLU 121 Cb 0.41 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.93 1wm4 s GLU 121 CO 0.08 0.25 1.61 1.05 0.02 0.00 0.00 175.26 178.27 1wm4 h GLU 122 N 2.89 -0.44 0.00 1.61 4.11 -1.94 0.31 114.58 121.12 1wm4 h GLU 122 Ca -0.48 0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1wm4 h GLU 122 Cb 1.19 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1wm4 h GLU 122 CO 0.64 -0.29 0.19 -0.44 0.07 0.00 0.00 179.01 179.18 1wm4 h ASP 123 N -0.46 0.00 0.01 3.06 5.19 -1.97 1.65 116.42 123.91 1wm4 h ASP 123 Ca 0.07 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.30 1wm4 h ASP 123 Cb 0.56 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1wm4 h ASP 123 CO -0.29 0.00 -0.96 0.15 -3.12 0.00 0.00 179.24 175.02 1wm4 h PHE 124 N 0.00 0.06 0.00 4.55 3.04 -0.89 -2.99 116.94 120.71 1wm4 h PHE 124 Ca 0.00 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.81 1wm4 h PHE 124 Cb 0.38 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1wm4 h PHE 124 CO 0.00 1.38 -0.45 0.82 -2.02 0.00 0.00 178.31 178.03 1wm4 h ILE 125 N -0.91 0.90 0.16 1.41 1.08 0.20 -2.73 117.51 117.62 1wm4 h ILE 125 Ca -0.25 -1.90 -0.01 0.00 -0.39 0.00 0.00 64.86 62.30 1wm4 h ILE 125 Cb 1.29 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 37.22 1wm4 h ILE 125 CO -0.12 0.45 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.62 1wm4 h ARG 126 N 0.00 -0.21 0.00 2.37 2.43 0.23 -2.57 114.38 116.63 1wm4 h ARG 126 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1wm4 h ARG 126 Cb 1.15 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1wm4 h ARG 126 CO 0.06 0.21 0.00 0.45 -1.51 0.00 0.00 179.97 179.18 1wm4 n SER 127 N -4.92 0.30 0.07 -3.80 2.88 -1.13 -1.86 113.62 105.16 1wm4 n SER 127 Ca -0.08 0.61 -0.20 0.00 -1.33 0.00 0.00 58.87 57.87 1wm4 n SER 127 Cb 0.26 -0.66 -0.15 0.00 -0.75 0.00 0.00 64.21 62.91 1wm4 n SER 127 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1wm4 h GLU 128 N 0.00 0.34 -0.21 -1.46 4.39 -1.36 -3.28 114.58 113.00 1wm4 h GLU 128 Ca 0.00 -0.58 -0.21 0.00 0.34 0.00 0.00 59.36 58.91 1wm4 h GLU 128 Cb 0.12 0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1wm4 h GLU 128 CO 0.00 1.23 -0.69 -0.07 -1.16 0.00 0.00 179.01 178.32 1wm4 h LEU 129 N 0.09 0.97 -1.52 1.33 3.38 -0.95 -2.76 115.31 115.86 1wm4 h LEU 129 Ca -0.30 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1wm4 h LEU 129 Cb 2.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1wm4 h LEU 129 CO 0.17 1.39 0.00 0.11 0.09 0.00 0.00 178.44 180.21 1wm4 h LYS 130 N 0.60 0.00 0.00 1.13 6.56 -1.60 -3.15 116.57 120.12 1wm4 h LYS 130 Ca -0.03 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1wm4 h LYS 130 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 1wm4 h LYS 130 CO 0.15 0.00 -0.00 0.87 -2.06 0.00 0.00 179.45 178.40 1wm4 h LYS 131 N 0.00 -0.01 -5.04 3.15 1.57 -1.54 -3.37 116.57 111.34 1wm4 h LYS 131 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1wm4 h LYS 131 Cb 0.09 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.48 1wm4 h LYS 131 CO 0.00 -0.00 0.75 0.00 -0.57 0.00 0.00 179.45 179.63 1wm4 n ALA 132 N -2.01 0.59 -2.46 3.86 0.00 -1.19 -4.86 120.51 114.42 1wm4 n ALA 132 Ca -0.00 -2.49 -0.38 0.00 0.00 0.00 0.00 53.44 50.56 1wm4 n ALA 132 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 19.45 15.83 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 7.69 2.57 0.11 0.00 0.00 -1.26 -4.92 107.32 111.51 1wm4 s GLY 133 Ca 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.42 1wm4 s GLY 133 CO 0.27 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.54 1wm4 n GLY 134 N 2.25 -1.29 0.00 0.20 0.00 -1.26 -4.97 105.19 100.13 1wm4 n GLY 134 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.76 0.00 1.35 4.61 0.00 -1.26 -4.91 120.51 119.54 1wm4 n ALA 135 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1wm4 n ALA 135 Cb 0.22 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.78 0.00 -0.03 0.00 6.94 -1.26 -2.72 115.26 117.40 1wm4 n ASN 136 Ca 0.00 -1.27 -0.11 0.00 -0.02 0.00 0.00 54.58 53.18 1wm4 n ASN 136 Cb 0.00 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wm4 n TYR 137 N -0.56 0.85 0.12 -2.53 9.36 -1.26 -4.07 117.16 119.08 1wm4 n TYR 137 Ca 0.02 0.28 -0.02 0.00 3.32 0.00 0.00 57.90 61.50 1wm4 n TYR 137 Cb 0.01 -1.15 0.12 0.00 -0.63 0.00 0.00 39.34 37.69 1wm4 n TYR 137 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1wm4 h ASP 138 N 0.01 0.00 0.00 2.98 3.58 -1.92 -3.44 116.42 117.63 1wm4 h ASP 138 Ca -0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1wm4 h ASP 138 Cb 2.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.10 1wm4 h ASP 138 CO 0.07 0.68 0.00 0.00 -2.88 0.00 0.00 179.24 177.11 1wm4 n ALA 139 N -2.40 0.00 -1.79 -0.78 0.00 -1.25 -5.05 120.51 109.24 1wm4 n ALA 139 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1wm4 n ALA 139 Cb 0.68 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.17 1wm4 n ALA 139 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wm4 s GLN 140 N 2.59 3.09 -0.57 0.00 -1.52 -1.26 -4.93 119.66 117.06 1wm4 s GLN 140 Ca 0.00 0.68 -0.05 0.00 -1.95 0.00 0.00 55.36 54.04 1wm4 s GLN 140 Cb 0.00 -2.03 -0.01 0.00 -0.22 0.00 0.00 33.01 30.75 1wm4 s GLN 140 CO 0.00 -0.92 2.91 -1.13 -0.25 0.00 0.00 175.29 175.90 1wm4 n SER 141 N -2.97 6.60 0.00 5.90 3.41 -1.26 -4.33 113.62 120.96 1wm4 n SER 141 Ca 0.07 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1wm4 n SER 141 Cb 0.55 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1wm4 n SER 141 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09