#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 -2.39 -5.12 0.00 -1.26 -4.85 120.51 106.89 1wm4 n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1wm4 n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 4.92 -0.04 0.00 2.01 -1.26 -4.90 115.64 116.37 1wm4 s THR 3 Ca 0.00 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.44 1wm4 s THR 3 Cb 0.00 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.89 1wm4 s THR 3 CO 0.00 -0.16 0.02 -0.54 -0.69 0.00 0.00 174.62 173.25 1wm4 s LYS 4 N -3.05 0.21 -0.11 4.92 3.01 -1.26 -5.05 119.74 118.41 1wm4 s LYS 4 Ca 0.48 0.18 -0.02 0.00 -1.01 0.00 0.00 55.97 55.60 1wm4 s LYS 4 Cb -0.11 -0.56 -0.03 0.00 -1.01 0.00 0.00 37.83 36.12 1wm4 s LYS 4 CO 0.23 -0.23 -0.01 -1.50 0.51 0.00 0.00 175.35 174.36 1wm4 s ILE 5 N 1.54 4.23 0.13 2.17 2.07 -1.26 -1.46 121.20 128.63 1wm4 s ILE 5 Ca -0.03 -0.27 -0.15 0.00 -1.41 0.00 0.00 60.65 58.79 1wm4 s ILE 5 Cb -0.13 -2.80 -0.01 0.00 0.13 0.00 0.00 42.46 39.66 1wm4 s ILE 5 CO -0.03 0.57 1.65 -0.78 -1.91 0.00 0.00 174.94 174.44 1wm4 h ASP 6 N 5.58 0.59 0.00 4.50 1.82 -1.97 -3.44 116.42 123.50 1wm4 h ASP 6 Ca -0.46 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 55.98 1wm4 h ASP 6 Cb 1.19 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.04 1wm4 h ASP 6 CO 0.57 0.64 0.00 0.29 -1.61 0.00 0.00 179.24 179.13 1wm4 n LYS 7 N -4.59 0.00 -0.14 0.28 5.02 -1.26 -4.40 118.16 113.07 1wm4 n LYS 7 Ca -0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 1wm4 n LYS 7 Cb 0.18 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.23 1wm4 n LYS 7 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1wm4 h GLU 8 N 0.00 0.06 0.09 1.97 5.08 -1.98 0.15 114.58 119.95 1wm4 h GLU 8 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wm4 h GLU 8 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1wm4 h GLU 8 CO 0.00 0.04 -0.04 0.00 -1.00 0.00 0.00 179.01 178.00 1wm4 h ALA 9 N 1.43 -0.95 -0.18 3.43 0.00 -1.99 -0.67 119.26 120.33 1wm4 h ALA 9 Ca 0.22 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1wm4 h ALA 9 Cb 0.34 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1wm4 h ALA 9 CO -0.42 -0.94 -0.26 0.00 0.00 0.00 0.00 179.25 177.63 1wm4 h ARG 11 N -0.19 -0.26 -0.58 0.00 2.43 -0.79 1.98 114.38 116.96 1wm4 h ARG 11 Ca 0.03 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1wm4 h ARG 11 Cb 0.28 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1wm4 h ARG 11 CO -0.27 -0.18 0.28 0.00 -1.51 0.00 0.00 179.97 178.29 1wm4 h ALA 12 N 0.33 0.76 0.00 2.80 0.00 -0.47 -0.24 119.26 122.44 1wm4 h ALA 12 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wm4 h ALA 12 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wm4 h ALA 12 CO -0.68 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 178.48 1wm4 h ALA 13 N 1.34 1.00 0.09 0.00 0.00 0.23 -2.77 119.26 119.15 1wm4 h ALA 13 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1wm4 h ALA 13 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wm4 h ALA 13 CO -0.21 0.00 -0.04 1.88 0.00 0.00 0.00 179.25 180.87 1wm4 h TYR 14 N 0.00 -0.11 0.00 0.00 -1.99 0.48 -3.12 116.97 112.24 1wm4 h TYR 14 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1wm4 h TYR 14 Cb 0.68 0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1wm4 h TYR 14 CO 0.00 0.44 0.00 0.09 -0.00 0.00 0.00 178.16 178.69 1wm4 n ASN 15 N -4.83 0.50 -0.03 3.88 5.03 -0.82 -3.06 115.26 115.93 1wm4 n ASN 15 Ca -0.08 0.61 -0.13 0.00 0.87 0.00 0.00 54.58 55.84 1wm4 n ASN 15 Cb 0.29 -0.72 -0.09 0.00 -1.02 0.00 0.00 39.78 38.25 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 0.20 -0.90 3.41 5.85 -1.45 -2.81 115.31 119.61 1wm4 h LEU 16 Ca 0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1wm4 h LEU 16 Cb 0.40 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1wm4 h LEU 16 CO 0.00 0.70 0.00 1.33 -0.34 0.00 0.00 178.44 180.13 1wm4 n VAL 17 N -4.67 1.03 0.19 1.05 0.24 -1.17 -1.60 118.33 113.39 1wm4 n VAL 17 Ca -0.08 0.47 0.05 0.00 -2.04 0.00 0.00 64.34 62.74 1wm4 n VAL 17 Cb 0.34 -1.42 0.33 0.00 -1.47 0.00 0.00 33.84 31.62 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 -1.55 -3.42 114.38 119.18 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 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1wm4 h ARG 18 CO 0.00 0.39 0.00 -3.47 -1.51 0.00 0.00 179.97 175.38 1wm4 n ASP 19 N -3.58 0.00 -2.78 -3.80 2.03 -0.63 -4.84 116.55 102.96 1wm4 n ASP 19 Ca -0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1wm4 n ASP 19 Cb 0.51 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.92 1wm4 n ASP 19 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wm4 n ASP 20 N 0.00 5.86 -1.51 1.67 2.03 -1.26 -4.85 116.55 118.49 1wm4 n ASP 20 Ca 0.00 -3.75 -0.00 0.00 0.52 0.00 0.00 54.79 51.55 1wm4 n ASP 20 Cb 0.00 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 -0.44 0.40 0.09 0.27 0.00 -1.26 -5.01 105.19 99.24 1wm4 n GLY 21 Ca 0.44 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 0.06 0.00 1.61 0.87 -1.89 -3.51 113.55 110.69 1wm4 h SER 22 Ca -0.00 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1wm4 h SER 22 Cb 1.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1wm4 h SER 22 CO 0.00 1.31 0.00 0.00 -0.53 0.00 0.00 176.83 177.61 1wm4 n ALA 23 N -3.02 0.00 -2.62 6.23 0.00 -1.26 -5.05 120.51 114.79 1wm4 n ALA 23 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 1wm4 n ALA 23 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1wm4 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wm4 n VAL 24 N 0.00 -0.24 -0.38 0.00 0.24 -1.22 -4.64 118.33 112.09 1wm4 n VAL 24 Ca 0.00 -0.00 0.37 0.00 -2.04 0.00 0.00 64.34 62.66 1wm4 n VAL 24 Cb 0.00 -0.21 0.73 0.00 -1.47 0.00 0.00 33.84 32.89 1wm4 n VAL 24 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1wm4 h ILE 25 N 0.94 0.35 -2.27 1.34 2.10 0.93 -3.41 117.51 117.49 1wm4 h ILE 25 Ca -0.05 -0.02 -0.07 0.00 1.08 0.00 0.00 64.86 65.80 1wm4 h ILE 25 Cb 0.11 0.29 -0.20 0.00 -1.09 0.00 0.00 36.82 35.93 1wm4 h ILE 25 CO 0.03 0.01 0.05 -1.66 -1.08 0.00 0.00 178.15 175.50 1wm4 s TRP 26 N -5.02 -0.56 -0.10 2.19 1.48 -1.24 -3.78 118.94 111.91 1wm4 s TRP 26 Ca -0.06 1.08 0.01 0.00 -1.06 0.00 0.00 56.10 56.07 1wm4 s TRP 26 Cb 0.24 0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 32.83 1wm4 s TRP 26 CO 0.82 -0.50 -0.11 0.14 -4.06 0.00 0.00 176.95 173.24 1wm4 s VAL 27 N -0.86 3.27 -0.04 -0.66 -7.23 -1.25 0.14 120.40 113.78 1wm4 s VAL 27 Ca -0.09 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.49 1wm4 s VAL 27 Cb -0.02 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.58 1wm4 s VAL 27 CO 0.07 0.56 -0.10 0.42 -0.31 0.00 0.00 175.10 175.73 1wm4 s THR 28 N -0.22 0.89 0.34 5.32 -4.23 -1.23 -3.80 115.64 112.71 1wm4 s THR 28 Ca 0.01 -0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1wm4 s THR 28 Cb -0.13 -0.80 -0.07 0.00 1.34 0.00 0.00 72.50 72.84 1wm4 s THR 28 CO 0.03 0.28 -0.02 0.72 -0.54 0.00 0.00 174.62 175.09 1wm4 s PHE 29 N 0.36 2.20 -0.00 3.99 -0.71 -1.26 -1.90 117.98 120.66 1wm4 s PHE 29 Ca -0.06 -0.70 -0.01 0.00 -1.04 0.00 0.00 56.93 55.11 1wm4 s PHE 29 Cb -0.11 -1.38 -0.00 0.00 -1.21 0.00 0.00 43.02 40.31 1wm4 s PHE 29 CO 0.01 0.34 0.02 -0.98 -1.34 0.00 0.00 175.22 173.27 1wm4 s ARG 30 N -3.73 0.15 -0.76 1.99 1.70 -1.18 -3.78 118.95 113.34 1wm4 s ARG 30 Ca 0.33 -0.19 -0.27 0.00 -0.47 0.00 0.00 55.73 55.13 1wm4 s ARG 30 Cb 0.06 0.06 -0.15 0.00 -0.57 0.00 0.00 34.95 34.35 1wm4 s ARG 30 CO 0.15 -0.03 2.52 0.66 -1.08 0.00 0.00 175.30 177.53 1wm4 n TYR 31 N 2.50 0.96 -3.16 5.89 4.01 -1.26 -3.77 117.16 122.33 1wm4 n TYR 31 Ca -0.16 0.21 -0.45 0.00 -0.16 0.00 0.00 57.90 57.34 1wm4 n TYR 31 Cb 0.58 -2.39 -0.05 0.00 -0.31 0.00 0.00 39.34 37.17 1wm4 n TYR 31 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wm4 s ASP 32 N 10.05 6.19 1.55 7.72 1.01 -0.90 -4.90 116.67 137.38 1wm4 s ASP 32 Ca 1.16 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 53.04 1wm4 s ASP 32 Cb -0.67 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 40.98 1wm4 s ASP 32 CO 0.36 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1wm4 n GLY 33 N 5.25 3.07 1.19 0.21 0.00 -1.26 -2.38 105.19 111.27 1wm4 n GLY 33 Ca -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 11.16 3.54 -3.36 4.61 0.00 -1.26 -4.95 120.51 130.25 1wm4 n ALA 34 Ca 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 53.44 50.88 1wm4 n ALA 34 Cb 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.02 -0.30 0.00 2.01 -1.00 -4.32 115.64 109.08 1wm4 s THR 35 Ca 0.46 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.23 1wm4 s THR 35 Cb 0.37 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.54 1wm4 s THR 35 CO 0.09 0.02 1.20 -0.63 -0.69 0.00 0.00 174.62 174.61 1wm4 s ILE 36 N 0.58 4.30 0.07 1.82 1.09 -0.53 -2.12 121.20 126.41 1wm4 s ILE 36 Ca -0.04 1.48 0.02 0.00 -1.10 0.00 0.00 60.65 61.02 1wm4 s ILE 36 Cb -0.05 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 37.06 1wm4 s ILE 36 CO -0.03 -0.47 -0.08 0.68 -0.10 0.00 0.00 174.94 174.94 1wm4 s VAL 37 N 4.02 0.67 0.24 2.92 -7.23 -1.25 -3.32 120.40 116.46 1wm4 s VAL 37 Ca 0.52 -1.46 -0.26 0.00 -1.81 0.00 0.00 61.98 58.97 1wm4 s VAL 37 Cb -0.15 -1.10 -0.16 0.00 0.56 0.00 0.00 36.38 35.53 1wm4 s VAL 37 CO 0.20 -0.57 0.41 -2.65 -0.31 0.00 0.00 175.10 172.18 1wm4 n PRO 38 N 0.82 0.00 0.00 4.82 -0.02 -1.26 -3.12 135.00 136.24 1wm4 n PRO 38 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1wm4 n PRO 38 Cb 0.57 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 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 2.05 0.00 3.39 -1.23 0.00 -1.18 -4.71 105.19 103.52 1wm4 n GLY 39 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.42 1.38 0.30 1.61 2.15 -0.80 -5.01 116.67 112.88 1wm4 s ASP 40 Ca 0.00 -1.66 0.05 0.00 0.43 0.00 0.00 52.55 51.37 1wm4 s ASP 40 Cb 0.00 0.63 -0.03 0.00 -0.30 0.00 0.00 42.92 43.22 1wm4 s ASP 40 CO 0.00 -1.21 0.27 0.00 -0.17 0.00 0.00 175.17 174.06 1wm4 s GLN 41 N -3.15 1.65 -0.75 4.34 1.03 -1.26 -3.48 119.66 118.03 1wm4 s GLN 41 Ca 0.36 -1.91 -0.02 0.00 0.04 0.00 0.00 55.36 53.83 1wm4 s GLN 41 Cb 0.01 0.33 0.19 0.00 0.03 0.00 0.00 33.01 33.56 1wm4 s GLN 41 CO 0.25 -0.61 0.60 0.20 -2.54 0.00 0.00 175.29 173.19 1wm4 s GLY 42 N -3.31 2.80 -0.47 2.60 0.00 0.37 -4.80 107.32 104.51 1wm4 s GLY 42 Ca 0.39 -3.57 0.04 0.00 0.00 0.00 0.00 44.72 41.58 1wm4 s GLY 42 CO 0.24 1.14 1.43 0.00 0.00 0.00 0.00 173.10 175.91 1wm4 n ALA 43 N 2.85 5.47 0.00 3.20 0.00 -1.26 0.15 120.51 130.91 1wm4 n ALA 43 Ca 0.15 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.68 1wm4 n ALA 43 Cb 0.37 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1wm4 n ALA 43 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wm4 n ASP 44 N -0.67 0.00 0.07 0.00 -0.08 -1.26 -4.91 116.55 109.70 1wm4 n ASP 44 Ca 0.48 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.64 1wm4 n ASP 44 Cb 0.74 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.16 1wm4 n ASP 44 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1wm4 h TYR 45 N 0.00 -0.64 -0.03 -0.67 3.20 -2.00 0.15 116.97 116.99 1wm4 h TYR 45 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1wm4 h TYR 45 Cb 0.00 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 1wm4 h TYR 45 CO 0.00 -0.33 0.58 1.96 -1.64 0.00 0.00 178.16 178.73 1wm4 h GLN 46 N -0.39 0.00 -0.11 1.82 7.50 -2.02 0.88 115.11 122.80 1wm4 h GLN 46 Ca 0.06 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.05 1wm4 h GLN 46 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 1wm4 h GLN 46 CO -0.20 0.00 -0.59 1.25 -1.50 0.00 0.00 178.83 177.79 1wm4 h HIS 47 N 0.00 0.44 -1.00 2.96 2.76 -1.04 -2.78 115.15 116.50 1wm4 h HIS 47 Ca 0.01 -0.17 0.09 0.00 -2.20 0.00 0.00 60.37 58.11 1wm4 h HIS 47 Cb 1.17 -0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.97 1wm4 h HIS 47 CO 0.00 0.85 0.64 0.27 -1.30 0.00 0.00 177.93 178.39 1wm4 h PHE 48 N 0.26 1.17 0.42 5.26 -5.15 0.79 -1.20 116.94 118.49 1wm4 h PHE 48 Ca -0.00 0.03 -0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1wm4 h PHE 48 Cb 1.11 -0.38 -0.00 0.00 0.22 0.00 0.00 35.95 36.90 1wm4 h PHE 48 CO 0.03 0.54 -0.26 0.82 -2.00 0.00 0.00 178.31 177.44 1wm4 h ILE 49 N 1.09 0.46 0.00 0.88 2.04 -1.54 1.29 117.51 121.73 1wm4 h ILE 49 Ca 0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.32 1wm4 h ILE 49 Cb 0.32 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1wm4 h ILE 49 CO -0.22 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.60 1wm4 n GLN 50 N -5.39 0.66 0.00 2.37 0.00 -0.91 -3.82 117.38 110.29 1wm4 n GLN 50 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.89 1wm4 n GLN 50 Cb 0.29 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.39 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 -0.64 0.00 -0.27 3.69 1.13 -0.17 -4.72 117.38 116.39 1wm4 n GLN 51 Ca 0.05 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.07 1wm4 n GLN 51 Cb 0.02 -0.04 -0.04 0.00 0.11 0.00 0.00 30.24 30.29 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 2.30 1.92 0.16 0.00 -4.23 -1.25 -4.88 115.64 109.66 1wm4 s THR 53 Ca 0.17 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.52 1wm4 s THR 53 Cb 0.08 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.28 1wm4 s THR 53 CO 0.00 0.00 1.72 -2.24 -0.54 0.00 0.00 174.62 173.56 1wm4 h ASP 54 N -1.80 -0.02 0.00 3.99 3.04 -1.92 -1.44 116.42 118.28 1wm4 h ASP 54 Ca -0.49 0.07 -0.03 0.00 -3.24 0.00 0.00 57.03 53.33 1wm4 h ASP 54 Cb 1.31 0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.68 1wm4 h ASP 54 CO 0.53 0.03 -0.05 -0.67 -2.04 0.00 0.00 179.24 177.04 1wm4 n ASP 55 N -5.11 4.34 -3.79 4.15 2.03 -1.26 -1.65 116.55 115.26 1wm4 n ASP 55 Ca 0.02 -2.18 -0.13 0.00 0.52 0.00 0.00 54.79 53.02 1wm4 n ASP 55 Cb 0.17 -0.97 -0.10 0.00 -0.72 0.00 0.00 41.12 39.50 1wm4 n ASP 55 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wm4 s VAL 56 N 0.59 0.05 -0.05 5.18 1.01 -0.54 -5.00 120.40 121.64 1wm4 s VAL 56 Ca 0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1wm4 s VAL 56 Cb 0.06 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.95 1wm4 s VAL 56 CO 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 175.10 174.92 1wm4 s ARG 57 N -0.93 0.17 0.06 2.72 1.70 -1.26 -0.77 118.95 120.65 1wm4 s ARG 57 Ca -0.10 0.27 -0.27 0.00 -0.47 0.00 0.00 55.73 55.16 1wm4 s ARG 57 Cb -0.05 -0.65 0.09 0.00 -0.57 0.00 0.00 34.95 33.77 1wm4 s ARG 57 CO 0.03 -0.30 1.18 -0.48 -1.08 0.00 0.00 175.30 174.64 1wm4 s LEU 58 N 2.00 -0.03 0.11 -1.89 0.05 -0.08 -4.74 118.68 114.10 1wm4 s LEU 58 Ca 0.04 -0.35 0.03 0.00 0.05 0.00 0.00 54.13 53.90 1wm4 s LEU 58 Cb -0.12 1.65 -0.04 0.00 -2.05 0.00 0.00 46.19 45.63 1wm4 s LEU 58 CO -0.04 -0.57 0.13 -0.36 -0.55 0.00 0.00 176.35 174.97 1wm4 s PHE 59 N -2.30 3.24 0.07 3.48 0.40 -1.25 0.23 117.98 121.86 1wm4 s PHE 59 Ca 0.22 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.65 1wm4 s PHE 59 Cb 0.00 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 1wm4 s PHE 59 CO 0.01 0.53 -0.10 0.00 0.70 0.00 0.00 175.22 176.35 1wm4 s ALA 60 N -1.55 0.94 -0.32 5.36 0.00 0.27 -4.02 121.76 122.45 1wm4 s ALA 60 Ca 0.31 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1wm4 s ALA 60 Cb -0.11 0.00 0.16 0.00 0.00 0.00 0.00 23.12 23.16 1wm4 s ALA 60 CO 0.24 0.02 0.40 0.12 0.00 0.00 0.00 175.76 176.54 1wm4 s PHE 61 N -1.76 -0.79 0.19 0.00 5.36 -1.25 0.16 117.98 119.89 1wm4 s PHE 61 Ca -0.02 -0.05 0.09 0.00 -0.96 0.00 0.00 56.93 55.98 1wm4 s PHE 61 Cb -0.07 -0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.33 1wm4 s PHE 61 CO 0.01 -0.99 -0.07 0.54 -1.46 0.00 0.00 175.22 173.25 1wm4 s VAL 62 N 2.19 3.32 -0.40 3.12 0.11 -1.24 -3.82 120.40 123.69 1wm4 s VAL 62 Ca 0.12 -1.63 -0.28 0.00 -2.93 0.00 0.00 61.98 57.26 1wm4 s VAL 62 Cb -0.13 -2.66 0.02 0.00 -1.53 0.00 0.00 36.38 32.08 1wm4 s VAL 62 CO -0.23 -0.13 1.08 -0.60 -3.33 0.00 0.00 175.10 171.89 1wm4 s ARG 63 N -2.92 3.88 0.28 1.54 3.52 -1.25 -3.93 118.95 120.07 1wm4 s ARG 63 Ca 0.26 0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 56.60 1wm4 s ARG 63 Cb -0.09 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 1wm4 s ARG 63 CO 0.16 -1.12 0.51 -0.06 -0.81 0.00 0.00 175.30 173.98 1wm4 s PHE 64 N 3.97 3.48 0.44 5.12 0.08 0.83 -4.86 117.98 127.05 1wm4 s PHE 64 Ca 0.45 0.50 -0.21 0.00 0.12 0.00 0.00 56.93 57.79 1wm4 s PHE 64 Cb -0.10 -1.99 -0.10 0.00 -0.57 0.00 0.00 43.02 40.26 1wm4 s PHE 64 CO 0.23 0.21 0.99 0.99 -0.10 0.00 0.00 175.22 177.54 1wm4 s THR 65 N -2.08 4.14 0.00 0.64 2.01 -1.26 0.33 115.64 119.41 1wm4 s THR 65 Ca 0.42 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1wm4 s THR 65 Cb -0.11 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1wm4 s THR 65 CO 0.31 -0.26 0.00 0.41 -0.69 0.00 0.00 174.62 174.39 1wm4 n THR 66 N -0.69 0.00 0.00 -0.82 -1.04 -1.26 -4.36 114.28 106.11 1wm4 n THR 66 Ca 0.08 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1wm4 n THR 66 Cb 0.53 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 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 3.10 2.76 0.38 3.41 0.00 -1.26 -4.87 105.19 108.71 1wm4 n GLY 67 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1wm4 n GLY 67 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wm4 h ASP 68 N 0.00 -1.03 -2.55 1.61 1.82 -1.87 -3.43 116.42 110.98 1wm4 h ASP 68 Ca 0.00 0.08 -0.57 0.00 -0.39 0.00 0.00 57.03 56.15 1wm4 h ASP 68 Cb 0.00 0.33 0.20 0.00 0.68 0.00 0.00 39.33 40.54 1wm4 h ASP 68 CO 0.00 -0.51 -0.96 0.00 -1.61 0.00 0.00 179.24 176.16 1wm4 n ALA 69 N -2.66 -2.86 -0.31 -0.78 0.00 -1.26 -4.75 120.51 107.89 1wm4 n ALA 69 Ca -0.09 -0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.22 1wm4 n ALA 69 Cb 0.35 -1.55 0.32 0.00 0.00 0.00 0.00 19.45 18.56 1wm4 n ALA 69 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1wm4 h MET 70 N -0.37 0.35 0.00 0.00 4.05 -2.04 -3.41 114.93 113.51 1wm4 h MET 70 Ca -0.44 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1wm4 h MET 70 Cb 1.37 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1wm4 h MET 70 CO 0.38 0.23 0.00 0.43 0.23 0.00 0.00 176.91 178.18 1wm4 n SER 71 N -5.08 0.00 0.00 1.39 7.64 -1.26 -5.08 113.62 111.23 1wm4 n SER 71 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1wm4 n SER 71 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.00 0.00 0.00 1.43 5.02 -1.26 -4.42 118.16 118.93 1wm4 n LYS 72 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wm4 n LYS 72 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 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 -1.78 0.00 -0.51 1.97 0.63 -1.26 -4.05 116.66 111.66 1wm4 n ARG 73 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1wm4 n ARG 73 Cb 0.00 -0.04 -0.01 0.00 0.45 0.00 0.00 32.46 32.86 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wm4 n SER 74 N 2.05 -2.78 -4.84 6.15 2.88 -1.26 -4.95 113.62 110.86 1wm4 n SER 74 Ca 0.00 0.59 -0.24 0.00 -1.33 0.00 0.00 58.87 57.89 1wm4 n SER 74 Cb 0.00 -1.23 -0.04 0.00 -0.75 0.00 0.00 64.21 62.18 1wm4 n SER 74 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wm4 s LYS 75 N -4.16 3.01 -0.09 -1.46 2.47 0.99 -4.68 119.74 115.81 1wm4 s LYS 75 Ca 0.00 -0.92 -0.01 0.00 -1.56 0.00 0.00 55.97 53.48 1wm4 s LYS 75 Cb 0.00 -2.66 0.03 0.00 -1.46 0.00 0.00 37.83 33.74 1wm4 s LYS 75 CO 0.00 0.44 -0.03 -0.06 0.16 0.00 0.00 175.35 175.87 1wm4 s PHE 76 N -1.94 0.98 0.05 4.03 0.08 -1.26 -0.12 117.98 119.80 1wm4 s PHE 76 Ca 0.32 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.92 1wm4 s PHE 76 Cb -0.09 -0.97 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 1wm4 s PHE 76 CO 0.25 -0.41 0.10 0.00 -0.10 0.00 0.00 175.22 175.07 1wm4 s ALA 77 N 1.87 -0.03 0.21 5.36 0.00 -1.25 0.35 121.76 128.26 1wm4 s ALA 77 Ca 0.05 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1wm4 s ALA 77 Cb -0.12 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1wm4 s ALA 77 CO -0.06 -0.37 0.14 -1.17 0.00 0.00 0.00 175.76 174.30 1wm4 s LEU 78 N -2.41 3.74 -0.02 0.00 0.20 -0.76 -3.59 118.68 115.83 1wm4 s LEU 78 Ca -0.01 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.59 1wm4 s LEU 78 Cb 0.02 -2.31 0.02 0.00 -0.43 0.00 0.00 46.19 43.48 1wm4 s LEU 78 CO -0.07 0.02 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.37 1wm4 s ILE 79 N -1.94 0.24 -0.30 6.68 1.01 0.43 -0.02 121.20 127.29 1wm4 s ILE 79 Ca 0.31 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 1wm4 s ILE 79 Cb -0.09 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1wm4 s ILE 79 CO 0.23 0.13 0.40 -0.89 0.00 0.00 0.00 174.94 174.81 1wm4 s THR 80 N 0.64 5.14 -0.43 2.92 2.01 0.36 0.98 115.64 127.25 1wm4 s THR 80 Ca -0.07 0.38 -0.20 0.00 0.31 0.00 0.00 61.69 62.12 1wm4 s THR 80 Cb -0.10 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1wm4 s THR 80 CO -0.01 0.02 0.59 0.86 -0.69 0.00 0.00 174.62 175.39 1wm4 s TRP 81 N 2.11 3.10 -0.67 4.92 -0.11 0.63 -1.37 118.94 127.55 1wm4 s TRP 81 Ca 0.15 -0.11 -0.10 0.00 1.22 0.00 0.00 56.10 57.26 1wm4 s TRP 81 Cb -0.16 -3.22 0.17 0.00 -1.50 0.00 0.00 33.47 28.77 1wm4 s TRP 81 CO 0.11 -0.81 0.56 0.42 -4.62 0.00 0.00 176.95 172.61 1wm4 s ILE 82 N 2.64 4.72 0.82 5.86 -1.09 -1.23 -0.90 121.20 132.01 1wm4 s ILE 82 Ca 0.20 -2.41 -0.13 0.00 -2.23 0.00 0.00 60.65 56.08 1wm4 s ILE 82 Cb -0.15 -4.00 0.07 0.00 -1.58 0.00 0.00 42.46 36.80 1wm4 s ILE 82 CO 0.17 -0.92 1.04 0.61 -1.23 0.00 0.00 174.94 174.61 1wm4 n GLY 83 N 4.11 -0.43 0.07 6.18 0.00 0.05 -4.76 105.19 110.42 1wm4 n GLY 83 Ca 0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1wm4 n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wm4 h GLU 84 N -0.98 -0.01 -1.98 1.61 4.39 -1.58 -3.28 114.58 112.75 1wm4 h GLU 84 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1wm4 h GLU 84 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1wm4 h GLU 84 CO 0.44 0.79 0.00 -3.47 -1.16 0.00 0.00 179.01 175.61 1wm4 n ASP 85 N -4.67 1.82 -4.94 1.42 2.03 -1.26 -4.78 116.55 106.17 1wm4 n ASP 85 Ca -0.09 -1.44 -0.25 0.00 0.52 0.00 0.00 54.79 53.53 1wm4 n ASP 85 Cb 0.39 -0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.26 5.18 0.00 5.18 1.01 -1.24 -4.95 120.40 126.84 1wm4 s VAL 86 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1wm4 s VAL 86 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1wm4 s VAL 86 CO 0.00 -0.32 0.00 -1.54 0.00 0.00 0.00 175.10 173.24 1wm4 n SER 87 N -1.16 0.00 0.10 3.32 3.41 -1.26 -5.00 113.62 113.04 1wm4 n SER 87 Ca -0.06 -0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1wm4 n SER 87 Cb 0.55 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.00 0.00 -0.30 5.00 0.00 -2.01 -3.35 103.07 102.40 1wm4 h GLY 88 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1wm4 h GLY 88 CO 0.00 0.00 -0.33 1.41 0.00 0.00 0.00 176.54 177.62 1wm4 h LEU 89 N 0.00 -1.13 -1.49 3.11 4.07 -2.00 0.53 115.31 118.40 1wm4 h LEU 89 Ca 0.00 0.21 0.07 0.00 0.08 0.00 0.00 57.88 58.24 1wm4 h LEU 89 Cb 0.80 0.54 -0.04 0.00 1.08 0.00 0.00 40.66 43.04 1wm4 h LEU 89 CO 0.00 -0.31 0.43 -0.61 -1.08 0.00 0.00 178.44 176.87 1wm4 h GLN 90 N -0.20 0.59 -0.17 1.13 -0.00 -1.96 0.39 115.11 114.90 1wm4 h GLN 90 Ca 0.20 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.84 1wm4 h GLN 90 Cb 0.54 -0.13 -0.05 0.00 0.00 0.00 0.00 27.48 27.84 1wm4 h GLN 90 CO -0.61 0.39 -0.40 -0.09 0.00 0.00 0.00 178.83 178.12 1wm4 h ARG 91 N 0.61 -0.36 0.21 1.69 1.12 -0.12 0.47 114.38 117.99 1wm4 h ARG 91 Ca 0.29 0.02 -0.33 0.00 -1.11 0.00 0.00 59.98 58.85 1wm4 h ARG 91 Cb 0.34 0.08 0.02 0.00 -0.01 0.00 0.00 29.97 30.40 1wm4 h ARG 91 CO -0.09 -0.24 -1.58 0.00 -3.11 0.00 0.00 179.97 174.95 1wm4 h ALA 92 N -0.53 0.02 0.85 2.80 0.00 -1.38 -3.08 119.26 117.94 1wm4 h ALA 92 Ca 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 1wm4 h ALA 92 Cb 0.48 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1wm4 h ALA 92 CO -0.36 0.84 -0.41 0.87 0.00 0.00 0.00 179.25 180.20 1wm4 h LYS 93 N 0.07 -1.10 -0.28 0.00 1.79 -0.13 -2.50 116.57 114.42 1wm4 h LYS 93 Ca -0.30 0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1wm4 h LYS 93 Cb 2.08 0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 32.94 1wm4 h LYS 93 CO 0.21 -0.72 0.01 1.15 -1.08 0.00 0.00 179.45 179.02 1wm4 h THR 94 N -1.22 0.81 -0.48 -0.16 2.02 -0.19 0.43 112.91 114.12 1wm4 h THR 94 Ca -0.12 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1wm4 h THR 94 Cb 0.88 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 1wm4 h THR 94 CO 0.19 0.02 -0.45 1.23 0.37 0.00 0.00 175.52 176.88 1wm4 h GLY 95 N 0.10 -1.22 0.78 2.16 0.00 -1.47 1.85 103.07 105.26 1wm4 h GLY 95 Ca 0.14 0.79 -0.01 0.00 0.00 0.00 0.00 47.33 48.25 1wm4 h GLY 95 CO -0.22 -0.23 0.01 -0.91 0.00 0.00 0.00 176.54 175.20 1wm4 h THR 96 N -0.21 1.20 -0.45 4.70 1.35 -1.18 -2.95 112.91 115.37 1wm4 h THR 96 Ca 0.08 -0.61 -0.09 0.00 -0.55 0.00 0.00 66.41 65.24 1wm4 h THR 96 Cb 0.42 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1wm4 h THR 96 CO -0.56 0.17 -0.05 0.44 -0.25 0.00 0.00 175.52 175.26 1wm4 h ASP 97 N -0.15 0.83 0.03 5.36 3.32 -0.34 -2.37 116.42 123.10 1wm4 h ASP 97 Ca 0.02 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1wm4 h ASP 97 Cb 0.26 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1wm4 h ASP 97 CO 0.00 0.97 -0.01 0.07 -1.72 0.00 0.00 179.24 178.55 1wm4 h LYS 98 N 0.67 0.00 0.00 3.56 5.09 0.28 0.27 116.57 126.44 1wm4 h LYS 98 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.83 1wm4 h LYS 98 Cb 0.58 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.90 1wm4 h LYS 98 CO 0.03 0.01 -0.37 1.15 -2.09 0.00 0.00 179.45 178.18 1wm4 h THR 99 N 0.00 0.22 0.00 0.07 2.02 -1.25 -3.13 112.91 110.84 1wm4 h THR 99 Ca -0.00 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1wm4 h THR 99 Cb 0.02 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1wm4 h THR 99 CO 0.00 0.13 -0.14 -0.07 0.37 0.00 0.00 175.52 175.81 1wm4 h LEU 100 N 0.00 0.00 -0.77 2.58 3.38 -0.24 -2.47 115.31 117.79 1wm4 h LEU 100 Ca -0.01 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.14 1wm4 h LEU 100 Cb 1.12 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 1wm4 h LEU 100 CO 0.02 0.47 0.07 1.62 0.09 0.00 0.00 178.44 180.71 1wm4 h VAL 101 N -0.81 0.37 -0.35 1.22 3.04 -1.46 0.99 116.25 119.26 1wm4 h VAL 101 Ca 0.00 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.58 1wm4 h VAL 101 Cb 0.14 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 1wm4 h VAL 101 CO 0.00 0.03 -0.01 0.50 -1.01 0.00 0.00 177.57 177.08 1wm4 h LYS 102 N 0.15 0.62 -0.03 4.17 3.64 -1.70 -3.25 116.57 120.17 1wm4 h LYS 102 Ca 0.43 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1wm4 h LYS 102 Cb 0.78 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1wm4 h LYS 102 CO -0.64 0.74 -0.08 0.93 -2.27 0.00 0.00 179.45 178.13 1wm4 h GLU 103 N 0.43 -0.08 -2.07 1.90 5.08 -0.32 -0.31 114.58 119.21 1wm4 h GLU 103 Ca 0.10 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1wm4 h GLU 103 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1wm4 h GLU 103 CO 0.02 -0.05 -0.03 1.55 -1.00 0.00 0.00 179.01 179.50 1wm4 n VAL 104 N -3.02 1.58 -4.56 3.13 3.14 -0.91 -4.79 118.33 112.90 1wm4 n VAL 104 Ca -0.01 -0.52 -0.26 0.00 -2.96 0.00 0.00 64.34 60.59 1wm4 n VAL 104 Cb 0.05 -1.47 -0.11 0.00 -1.06 0.00 0.00 33.84 31.26 1wm4 n VAL 104 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wm4 s VAL 105 N 0.82 2.01 0.00 1.55 0.11 -0.13 -4.99 120.40 119.77 1wm4 s VAL 105 Ca 0.11 -2.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.07 1wm4 s VAL 105 Cb 0.05 -2.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1wm4 s VAL 105 CO 0.00 -0.10 0.00 0.00 -3.33 0.00 0.00 175.10 171.67 1wm4 n GLN 106 N -0.85 0.00 0.00 1.54 10.64 -1.26 -4.94 117.38 122.51 1wm4 n GLN 106 Ca -0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 1wm4 n GLN 106 Cb 0.65 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.03 1wm4 n GLN 106 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1wm4 n ASN 107 N -0.06 0.76 -4.03 2.61 4.13 -1.26 -4.64 115.26 112.77 1wm4 n ASN 107 Ca 0.00 -0.68 -0.08 0.00 1.68 0.00 0.00 54.58 55.50 1wm4 n ASN 107 Cb 0.00 -0.17 -0.11 0.00 -1.54 0.00 0.00 39.78 37.97 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1wm4 s PHE 108 N 0.03 0.39 -0.11 3.10 -0.71 -1.26 -4.73 117.98 114.68 1wm4 s PHE 108 Ca 0.00 -0.76 0.11 0.00 -1.04 0.00 0.00 56.93 55.24 1wm4 s PHE 108 Cb 0.00 -0.28 -0.24 0.00 -1.21 0.00 0.00 43.02 41.29 1wm4 s PHE 108 CO 0.00 -0.26 0.41 0.00 -1.34 0.00 0.00 175.22 174.02 1wm4 n ALA 109 N 0.95 1.41 -3.51 1.99 0.00 1.09 -4.93 120.51 117.51 1wm4 n ALA 109 Ca -0.20 -0.92 -0.15 0.00 0.00 0.00 0.00 53.44 52.18 1wm4 n ALA 109 Cb 0.58 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1wm4 n ALA 109 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wm4 s LYS 110 N -2.56 0.98 0.20 0.00 1.02 -1.22 -5.04 119.74 113.12 1wm4 s LYS 110 Ca -0.10 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.02 1wm4 s LYS 110 Cb 0.07 0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 37.81 1wm4 s LYS 110 CO 0.80 -0.34 0.18 -1.83 -0.92 0.00 0.00 175.35 173.25 1wm4 s GLU 111 N -1.73 2.99 0.05 1.68 -1.05 -1.26 -1.83 118.70 117.55 1wm4 s GLU 111 Ca -0.06 -0.90 -0.04 0.00 -0.15 0.00 0.00 54.97 53.83 1wm4 s GLU 111 Cb -0.00 -2.66 -0.02 0.00 -0.44 0.00 0.00 34.13 31.00 1wm4 s GLU 111 CO 0.03 0.46 0.04 -0.06 0.95 0.00 0.00 175.26 176.68 1wm4 s PHE 112 N -1.89 0.36 0.24 4.83 0.08 0.96 -4.87 117.98 117.70 1wm4 s PHE 112 Ca 0.32 -0.82 0.11 0.00 0.12 0.00 0.00 56.93 56.66 1wm4 s PHE 112 Cb -0.09 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 42.06 1wm4 s PHE 112 CO 0.25 -0.40 -0.13 0.54 -0.10 0.00 0.00 175.22 175.37 1wm4 s VAL 113 N -3.49 2.86 0.05 -0.44 0.11 -1.26 0.13 120.40 118.36 1wm4 s VAL 113 Ca 0.03 -2.08 0.01 0.00 -2.93 0.00 0.00 61.98 57.01 1wm4 s VAL 113 Cb 0.04 -2.48 -0.03 0.00 -1.53 0.00 0.00 36.38 32.38 1wm4 s VAL 113 CO -0.09 -0.30 -0.05 -0.63 -3.33 0.00 0.00 175.10 170.71 1wm4 s ILE 114 N -2.19 0.37 0.00 7.04 -1.09 -0.47 -4.79 121.20 120.08 1wm4 s ILE 114 Ca 0.28 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 1wm4 s ILE 114 Cb -0.07 -0.95 0.00 0.00 -1.58 0.00 0.00 42.46 39.86 1wm4 s ILE 114 CO 0.16 -0.67 0.13 -1.54 -1.23 0.00 0.00 174.94 171.79 1wm4 n SER 115 N 0.86 0.27 -3.61 3.58 3.41 -1.26 -3.53 113.62 113.34 1wm4 n SER 115 Ca -0.19 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.30 1wm4 n SER 115 Cb 0.58 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.37 0.38 4.04 1.11 -1.26 -4.93 116.67 115.63 1wm4 s ASP 116 Ca 0.00 0.06 0.20 0.00 0.18 0.00 0.00 52.55 52.99 1wm4 s ASP 116 Cb 0.00 0.47 0.59 0.00 1.07 0.00 0.00 42.92 45.05 1wm4 s ASP 116 CO 0.00 -0.72 1.68 0.08 1.18 0.00 0.00 175.17 177.39 1wm4 h ARG 117 N 2.80 0.00 0.00 8.23 0.11 -1.98 -2.77 114.38 120.78 1wm4 h ARG 117 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 1wm4 h ARG 117 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1wm4 h ARG 117 CO 0.42 0.34 0.00 1.63 0.10 0.00 0.00 179.97 182.47 1wm4 n LYS 118 N -3.37 0.18 -0.06 0.08 5.02 -1.26 -1.59 118.16 117.16 1wm4 n LYS 118 Ca 0.01 0.44 0.10 0.00 -2.02 0.00 0.00 58.31 56.84 1wm4 n LYS 118 Cb 0.54 -1.87 0.43 0.00 -0.02 0.00 0.00 35.03 34.11 1wm4 n LYS 118 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wm4 n GLU 119 N -2.22 1.53 -1.07 1.97 -0.58 -1.04 -3.75 120.64 115.47 1wm4 n GLU 119 Ca 0.02 -0.79 -0.15 0.00 -0.42 0.00 0.00 57.16 55.81 1wm4 n GLU 119 Cb 0.21 -1.37 0.18 0.00 -0.57 0.00 0.00 31.44 29.88 1wm4 n GLU 119 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wm4 n LEU 120 N 0.01 5.47 -4.74 -4.62 4.77 -0.62 -4.64 117.00 112.63 1wm4 n LEU 120 Ca 0.16 -3.80 -0.40 0.00 -0.03 0.00 0.00 56.01 51.93 1wm4 n LEU 120 Cb 0.26 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1wm4 n LEU 120 CO 0.12 1.24 0.68 -1.61 -1.33 0.00 0.00 177.39 176.49 1wm4 s GLU 121 N -3.33 4.78 0.19 3.23 2.02 -1.25 -4.87 118.70 119.46 1wm4 s GLU 121 Ca 0.51 1.52 -0.20 0.00 0.02 0.00 0.00 54.97 56.82 1wm4 s GLU 121 Cb 0.44 -3.30 0.13 0.00 0.10 0.00 0.00 34.13 31.50 1wm4 s GLU 121 CO 0.04 0.37 1.59 0.93 0.02 0.00 0.00 175.26 178.21 1wm4 h GLU 122 N 4.63 -0.15 -0.83 1.61 5.08 -1.96 0.36 114.58 123.32 1wm4 h GLU 122 Ca -0.44 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1wm4 h GLU 122 Cb 1.20 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1wm4 h GLU 122 CO 0.69 -0.10 0.50 -0.44 -1.00 0.00 0.00 179.01 178.66 1wm4 h ASP 123 N -0.15 0.99 -0.17 1.42 5.19 -2.00 -2.37 116.42 119.33 1wm4 h ASP 123 Ca 0.24 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1wm4 h ASP 123 Cb 0.55 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1wm4 h ASP 123 CO -0.67 0.76 0.10 0.15 -3.12 0.00 0.00 179.24 176.46 1wm4 h PHE 124 N 1.14 0.23 -0.02 4.55 3.04 -0.83 -0.80 116.94 124.25 1wm4 h PHE 124 Ca 0.30 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.25 1wm4 h PHE 124 Cb -0.05 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 1wm4 h PHE 124 CO 0.00 0.20 0.06 0.82 -2.02 0.00 0.00 178.31 177.37 1wm4 h ILE 125 N 0.19 0.14 0.12 1.41 1.08 -0.12 -2.06 117.51 118.27 1wm4 h ILE 125 Ca 0.06 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.33 1wm4 h ILE 125 Cb 0.04 0.95 0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1wm4 h ILE 125 CO -0.01 0.00 -0.95 0.03 -0.69 0.00 0.00 178.15 176.53 1wm4 h ARG 126 N 0.00 0.25 -0.25 2.37 2.47 -0.70 -2.17 114.38 116.35 1wm4 h ARG 126 Ca 0.01 -0.42 0.05 0.00 -1.26 0.00 0.00 59.98 58.36 1wm4 h ARG 126 Cb 0.12 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1wm4 h ARG 126 CO -0.00 1.20 0.17 1.03 0.56 0.00 0.00 179.97 182.93 1wm4 h SER 127 N -0.43 0.10 0.25 7.04 0.87 -0.64 0.17 113.55 120.91 1wm4 h SER 127 Ca -0.19 -0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.03 1wm4 h SER 127 Cb 1.61 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.55 1wm4 h SER 127 CO 0.10 0.07 -1.71 1.05 -0.53 0.00 0.00 176.83 175.81 1wm4 h GLU 128 N 0.12 0.36 0.00 2.24 4.11 -1.56 -3.32 114.58 116.53 1wm4 h GLU 128 Ca 0.11 -0.62 -0.07 0.00 0.07 0.00 0.00 59.36 58.85 1wm4 h GLU 128 Cb 0.29 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1wm4 h GLU 128 CO -0.01 1.27 -0.32 -0.07 0.07 0.00 0.00 179.01 179.94 1wm4 h LEU 129 N 0.10 0.00 -0.70 3.06 3.38 -0.75 -2.90 115.31 117.50 1wm4 h LEU 129 Ca -0.32 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.80 1wm4 h LEU 129 Cb 2.08 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.73 1wm4 h LEU 129 CO 0.17 0.32 0.13 0.11 0.09 0.00 0.00 178.44 179.27 1wm4 h LYS 130 N 0.00 0.23 0.00 1.13 1.57 -0.77 -3.44 116.57 115.29 1wm4 h LYS 130 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1wm4 h LYS 130 Cb 0.66 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1wm4 h LYS 130 CO 0.04 0.15 0.00 1.17 -0.57 0.00 0.00 179.45 180.24 1wm4 n LYS 131 N -5.18 0.00 -3.02 3.15 0.00 -1.10 -5.10 118.16 106.90 1wm4 n LYS 131 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.43 1wm4 n LYS 131 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.45 1wm4 n LYS 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wm4 n ALA 132 N -2.57 -2.23 -0.12 3.14 0.00 -1.17 -4.95 120.51 112.61 1wm4 n ALA 132 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.54 1wm4 n ALA 132 Cb 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1wm4 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wm4 n GLY 133 N 1.48 -0.36 0.00 0.00 0.00 -1.26 -5.06 105.19 99.99 1wm4 n GLY 133 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1wm4 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wm4 n GLY 134 N 2.00 0.77 3.38 -0.02 0.00 -1.26 -4.87 105.19 105.18 1wm4 n GLY 134 Ca -0.45 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 0.86 0.00 -1.26 4.61 0.00 -1.26 -4.84 120.51 118.62 1wm4 n ALA 135 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1wm4 n ALA 135 Cb 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 0.00 7.17 -1.32 0.00 2.04 -1.26 -4.09 115.26 117.81 1wm4 n ASN 136 Ca 0.00 -3.50 0.02 0.00 -0.44 0.00 0.00 54.58 50.65 1wm4 n ASN 136 Cb 0.00 -1.04 0.00 0.00 -2.53 0.00 0.00 39.78 36.21 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wm4 n TYR 137 N -0.29 0.00 0.00 -2.53 9.36 -1.26 -4.86 117.16 117.58 1wm4 n TYR 137 Ca 0.50 -0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1wm4 n TYR 137 Cb 0.58 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1wm4 n TYR 137 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1wm4 n ASP 138 N 0.36 0.00 -2.17 2.98 5.75 -1.26 -4.92 116.55 117.29 1wm4 n ASP 138 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.52 1wm4 n ASP 138 Cb 1.02 0.13 0.16 0.00 -1.03 0.00 0.00 41.12 41.40 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wm4 n ALA 139 N -1.69 5.64 -0.15 2.12 0.00 -1.26 -4.65 120.51 120.52 1wm4 n ALA 139 Ca 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 53.44 50.37 1wm4 n ALA 139 Cb 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.03 1wm4 n ALA 139 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wm4 h GLN 140 N 1.19 -0.01 -6.67 0.00 4.15 -1.89 -3.41 115.11 108.47 1wm4 h GLN 140 Ca 0.60 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 59.45 1wm4 h GLN 140 Cb 2.41 0.00 0.18 0.00 0.21 0.00 0.00 27.48 30.28 1wm4 h GLN 140 CO 1.14 -0.01 -0.23 0.45 -1.93 0.00 0.00 178.83 178.26 1wm4 n SER 141 N -5.35 -0.53 -0.07 -0.69 2.88 -1.26 -5.14 113.62 103.46 1wm4 n SER 141 Ca 0.04 0.70 0.16 0.00 -1.33 0.00 0.00 58.87 58.43 1wm4 n SER 141 Cb 0.26 -1.26 0.89 0.00 -0.75 0.00 0.00 64.21 63.35 1wm4 n SER 141 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02