#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 3.52 0.53 3.04 0.00 -1.26 -4.86 121.76 122.73 1wm4 s ALA 2 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1wm4 s ALA 2 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1wm4 s ALA 2 CO 0.00 -0.99 0.00 2.41 0.00 0.00 0.00 175.76 177.18 1wm4 n THR 3 N 5.30 -5.71 -3.89 0.00 -1.04 -1.26 -4.98 114.28 102.70 1wm4 n THR 3 Ca -0.05 2.62 -0.24 0.00 -2.04 0.00 0.00 64.05 64.34 1wm4 n THR 3 Cb 0.49 -3.56 -0.17 0.00 -1.82 0.00 0.00 70.33 65.28 1wm4 n THR 3 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wm4 s LYS 4 N -3.27 0.93 -0.11 -2.82 -0.14 -1.26 -5.07 119.74 108.00 1wm4 s LYS 4 Ca 0.00 -0.04 -0.03 0.00 -1.36 0.00 0.00 55.97 54.54 1wm4 s LYS 4 Cb 0.00 -1.13 -0.03 0.00 -1.68 0.00 0.00 37.83 34.98 1wm4 s LYS 4 CO 0.00 -0.25 -0.01 -1.50 -0.76 0.00 0.00 175.35 172.83 1wm4 s ILE 5 N 1.70 4.20 -0.63 2.17 1.10 -1.26 -1.17 121.20 127.31 1wm4 s ILE 5 Ca 0.02 -0.27 -0.02 0.00 -0.51 0.00 0.00 60.65 59.87 1wm4 s ILE 5 Cb -0.13 -2.80 0.38 0.00 0.15 0.00 0.00 42.46 40.07 1wm4 s ILE 5 CO -0.05 0.56 2.07 -0.90 -2.11 0.00 0.00 174.94 174.51 1wm4 n ASP 6 N 2.67 7.43 0.30 4.50 5.75 -1.15 -4.69 116.55 131.36 1wm4 n ASP 6 Ca -0.18 -3.65 0.02 0.00 -0.01 0.00 0.00 54.79 50.97 1wm4 n ASP 6 Cb 0.53 -1.02 0.11 0.00 -1.03 0.00 0.00 41.12 39.71 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1wm4 h LYS 7 N 2.10 0.00 -0.92 0.11 1.79 -1.94 0.28 116.57 117.98 1wm4 h LYS 7 Ca 0.54 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 59.21 1wm4 h LYS 7 Cb 0.71 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.29 1wm4 h LYS 7 CO 1.41 0.00 0.60 0.93 -1.08 0.00 0.00 179.45 181.31 1wm4 h GLU 8 N 0.00 0.45 0.14 3.15 5.08 -2.00 -0.63 114.58 120.77 1wm4 h GLU 8 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1wm4 h GLU 8 Cb 1.70 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1wm4 h GLU 8 CO 0.00 0.30 -0.06 0.00 -1.00 0.00 0.00 179.01 178.24 1wm4 h ALA 9 N 1.61 -0.26 -0.59 3.43 0.00 -0.86 -3.13 119.26 119.46 1wm4 h ALA 9 Ca 0.48 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.43 1wm4 h ALA 9 Cb 1.13 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1wm4 h ALA 9 CO -0.20 -0.25 -0.49 0.00 0.00 0.00 0.00 179.25 178.31 1wm4 h ARG 11 N -0.24 -0.26 -0.81 0.00 2.43 -1.26 1.91 114.38 116.13 1wm4 h ARG 11 Ca 0.15 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1wm4 h ARG 11 Cb 0.56 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1wm4 h ARG 11 CO -0.70 -0.18 0.53 0.00 -1.51 0.00 0.00 179.97 178.11 1wm4 h ALA 12 N 0.18 1.66 0.00 2.80 0.00 -1.19 0.16 119.26 122.88 1wm4 h ALA 12 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wm4 h ALA 12 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wm4 h ALA 12 CO -0.70 0.19 -0.06 0.00 0.00 0.00 0.00 179.25 178.68 1wm4 n ALA 13 N -2.43 2.45 -0.07 0.00 0.00 0.13 -2.50 120.51 118.09 1wm4 n ALA 13 Ca 0.13 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1wm4 n ALA 13 Cb 0.26 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 1wm4 n ALA 13 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1wm4 h TYR 14 N 0.00 0.00 0.00 0.00 -1.99 0.57 -3.14 116.97 112.41 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 0.56 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.29 1wm4 h TYR 14 CO 0.00 0.89 0.00 0.27 -0.00 0.00 0.00 178.16 179.32 1wm4 n ASN 15 N -4.61 0.21 -0.06 3.88 0.23 -0.90 -3.54 115.26 110.46 1wm4 n ASN 15 Ca -0.12 0.53 -0.14 0.00 -0.53 0.00 0.00 54.58 54.32 1wm4 n ASN 15 Cb 0.43 -0.58 -0.12 0.00 -2.08 0.00 0.00 39.78 37.43 1wm4 n ASN 15 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1wm4 h LEU 16 N 0.00 -0.00 0.00 -4.53 5.85 -1.58 -3.12 115.31 111.93 1wm4 h LEU 16 Ca 0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 1wm4 h LEU 16 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1wm4 h LEU 16 CO 0.00 0.92 0.02 1.33 -0.34 0.00 0.00 178.44 180.36 1wm4 n VAL 17 N -4.65 0.51 1.23 1.05 0.24 -1.19 -1.75 118.33 113.77 1wm4 n VAL 17 Ca -0.10 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1wm4 n VAL 17 Cb 0.44 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 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 -1.09 0.98 -4.04 7.34 0.63 -1.18 -4.79 116.66 114.50 1wm4 n ARG 18 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1wm4 n ARG 18 Cb 0.02 -1.36 -0.06 0.00 0.45 0.00 0.00 32.46 31.50 1wm4 n ARG 18 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1wm4 s ASP 19 N -0.28 5.82 -0.17 6.15 2.15 -0.72 -4.96 116.67 124.66 1wm4 s ASP 19 Ca 0.00 0.16 -0.25 0.00 0.43 0.00 0.00 52.55 52.89 1wm4 s ASP 19 Cb 0.00 -1.69 -0.28 0.00 -0.30 0.00 0.00 42.92 40.65 1wm4 s ASP 19 CO 0.00 0.24 1.59 -0.90 -0.17 0.00 0.00 175.17 175.93 1wm4 n ASP 20 N 0.92 1.27 -1.04 -0.34 5.68 -1.26 -3.55 116.55 118.24 1wm4 n ASP 20 Ca -0.11 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.72 1wm4 n ASP 20 Cb 0.52 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wm4 n GLY 21 N 4.75 0.02 0.12 6.12 0.00 -1.26 -5.06 105.19 109.87 1wm4 n GLY 21 Ca 0.41 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1wm4 n GLY 21 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wm4 n SER 22 N -0.66 1.56 0.00 1.61 2.88 -1.23 -5.13 113.62 112.65 1wm4 n SER 22 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wm4 n SER 22 Cb 0.32 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1wm4 n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wm4 n ALA 23 N -4.07 0.00 -3.60 -1.46 0.00 -1.26 -5.05 120.51 105.07 1wm4 n ALA 23 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 1wm4 n ALA 23 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 1wm4 n ALA 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wm4 n VAL 24 N -0.82 -6.16 -0.35 0.00 0.31 -1.15 -4.60 118.33 105.55 1wm4 n VAL 24 Ca 0.00 -0.92 0.26 0.00 -0.01 0.00 0.00 64.34 63.67 1wm4 n VAL 24 Cb 0.00 -4.63 0.54 0.00 -0.91 0.00 0.00 33.84 28.84 1wm4 n VAL 24 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1wm4 h ILE 25 N -1.71 0.42 -3.25 2.52 2.10 0.37 -3.42 117.51 114.55 1wm4 h ILE 25 Ca -0.64 -0.11 -0.12 0.00 1.08 0.00 0.00 64.86 65.08 1wm4 h ILE 25 Cb 1.35 0.07 -0.19 0.00 -1.09 0.00 0.00 36.82 36.96 1wm4 h ILE 25 CO 0.50 0.06 -0.33 -1.66 -1.08 0.00 0.00 178.15 175.64 1wm4 s TRP 26 N -5.45 -0.09 0.31 2.19 1.48 -1.21 -3.93 118.94 112.25 1wm4 s TRP 26 Ca -0.09 0.05 0.09 0.00 -1.06 0.00 0.00 56.10 55.10 1wm4 s TRP 26 Cb 0.27 0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 32.58 1wm4 s TRP 26 CO 0.80 -0.40 0.08 0.14 -4.06 0.00 0.00 176.95 173.52 1wm4 s VAL 27 N -1.74 3.15 -0.09 -0.66 -7.23 -1.25 0.20 120.40 112.78 1wm4 s VAL 27 Ca -0.11 -1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1wm4 s VAL 27 Cb -0.04 -2.93 0.04 0.00 0.56 0.00 0.00 36.38 34.01 1wm4 s VAL 27 CO 0.01 -0.25 0.21 0.42 -0.31 0.00 0.00 175.10 175.19 1wm4 s THR 28 N -2.40 -0.06 -0.13 5.32 -4.23 -0.83 -3.92 115.64 109.39 1wm4 s THR 28 Ca 0.35 0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1wm4 s THR 28 Cb -0.04 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.49 1wm4 s THR 28 CO 0.21 0.07 -0.11 0.72 -0.54 0.00 0.00 174.62 174.98 1wm4 s PHE 29 N 1.31 1.84 -0.03 3.99 -0.71 -1.26 0.25 117.98 123.37 1wm4 s PHE 29 Ca -0.09 -1.01 -0.02 0.00 -1.04 0.00 0.00 56.93 54.77 1wm4 s PHE 29 Cb -0.11 -1.42 -0.04 0.00 -1.21 0.00 0.00 43.02 40.24 1wm4 s PHE 29 CO -0.08 -0.60 0.14 -0.98 -1.34 0.00 0.00 175.22 172.36 1wm4 s ARG 30 N 1.59 3.30 -0.80 1.99 1.70 -0.97 -4.30 118.95 121.45 1wm4 s ARG 30 Ca 0.05 -0.35 -0.27 0.00 -0.47 0.00 0.00 55.73 54.68 1wm4 s ARG 30 Cb -0.13 -3.02 -0.17 0.00 -0.57 0.00 0.00 34.95 31.06 1wm4 s ARG 30 CO -0.09 0.68 2.54 0.66 -1.08 0.00 0.00 175.30 178.00 1wm4 n TYR 31 N 1.21 0.86 -3.05 5.89 4.02 -1.26 -3.57 117.16 121.26 1wm4 n TYR 31 Ca -0.13 0.23 -0.44 0.00 -0.01 0.00 0.00 57.90 57.55 1wm4 n TYR 31 Cb 0.53 -2.33 -0.05 0.00 -0.02 0.00 0.00 39.34 37.47 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 9.55 6.20 1.80 7.72 1.11 -0.31 -4.89 116.67 137.86 1wm4 s ASP 32 Ca 1.19 -1.12 0.00 0.00 0.18 0.00 0.00 52.55 52.80 1wm4 s ASP 32 Cb -0.76 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 40.90 1wm4 s ASP 32 CO 0.39 -1.13 0.00 0.61 1.18 0.00 0.00 175.17 176.22 1wm4 n GLY 33 N 5.25 3.80 1.34 0.21 0.00 -1.26 -1.67 105.19 112.86 1wm4 n GLY 33 Ca -0.07 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 12.01 4.00 -3.57 4.61 0.00 -1.26 -4.94 120.51 131.36 1wm4 n ALA 34 Ca 0.00 -2.64 -0.13 0.00 0.00 0.00 0.00 53.44 50.67 1wm4 n ALA 34 Cb 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.05 -0.03 -0.40 0.00 2.01 -0.67 -4.02 115.64 109.49 1wm4 s THR 35 Ca 0.47 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 1wm4 s THR 35 Cb 0.40 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.57 1wm4 s THR 35 CO 0.07 0.05 1.11 -0.63 -0.69 0.00 0.00 174.62 174.53 1wm4 s ILE 36 N 0.96 4.35 0.06 1.82 1.09 -0.32 -1.16 121.20 128.00 1wm4 s ILE 36 Ca -0.07 1.47 0.02 0.00 -1.10 0.00 0.00 60.65 60.97 1wm4 s ILE 36 Cb -0.08 -4.51 -0.03 0.00 -1.06 0.00 0.00 42.46 36.78 1wm4 s ILE 36 CO -0.06 -0.76 -0.08 0.68 -0.10 0.00 0.00 174.94 174.62 1wm4 s VAL 37 N 4.08 0.63 0.18 2.92 -7.23 -1.23 -2.94 120.40 116.80 1wm4 s VAL 37 Ca 0.47 -1.28 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 1wm4 s VAL 37 Cb -0.10 -0.88 -0.12 0.00 0.56 0.00 0.00 36.38 35.84 1wm4 s VAL 37 CO 0.24 -0.47 0.31 -2.65 -0.31 0.00 0.00 175.10 172.22 1wm4 n PRO 38 N 1.12 0.00 0.00 4.82 -0.02 -1.26 -2.30 135.00 137.36 1wm4 n PRO 38 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1wm4 n PRO 38 Cb 0.56 -0.74 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 1.54 0.00 3.21 -1.23 0.00 0.68 -4.55 105.19 104.84 1wm4 n GLY 39 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.74 -0.96 -0.78 1.61 8.00 -0.63 -4.98 116.55 117.07 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 0.21 2.00 0.00 0.00 -0.02 0.00 0.00 41.12 43.30 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 1.35 -3.57 -1.24 0.00 -1.26 -1.96 117.38 110.11 1wm4 n GLN 41 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 57.00 56.76 1wm4 n GLN 41 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.67 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 -0.53 0.51 -0.34 2.61 0.00 0.54 -4.70 107.32 105.40 1wm4 s GLY 42 Ca 0.00 -1.01 0.15 0.00 0.00 0.00 0.00 44.72 43.87 1wm4 s GLY 42 CO 0.00 1.98 0.95 0.00 0.00 0.00 0.00 173.10 176.03 1wm4 n ALA 43 N 5.22 3.55 0.00 3.20 0.00 -1.26 0.28 120.51 131.51 1wm4 n ALA 43 Ca -0.06 -3.34 0.00 0.00 0.00 0.00 0.00 53.44 50.04 1wm4 n ALA 43 Cb 0.43 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1wm4 n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wm4 n ASP 44 N -0.09 0.00 0.16 0.00 9.92 -1.26 -4.91 116.55 120.36 1wm4 n ASP 44 Ca 0.15 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.48 1wm4 n ASP 44 Cb 0.78 0.00 0.40 0.00 -0.64 0.00 0.00 41.12 41.65 1wm4 n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wm4 n TYR 45 N 0.00 0.49 0.07 1.24 9.36 -1.26 -0.47 117.16 126.59 1wm4 n TYR 45 Ca 0.00 0.26 -0.23 0.00 3.32 0.00 0.00 57.90 61.25 1wm4 n TYR 45 Cb 0.00 -0.76 -0.15 0.00 -0.63 0.00 0.00 39.34 37.80 1wm4 n TYR 45 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1wm4 h GLN 46 N 0.00 0.38 -0.65 2.98 1.08 -2.02 -3.33 115.11 113.56 1wm4 h GLN 46 Ca 0.00 -0.65 -0.02 0.00 -1.45 0.00 0.00 58.65 56.53 1wm4 h GLN 46 Cb 0.46 0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1wm4 h GLN 46 CO 0.00 1.31 0.33 0.45 -0.95 0.00 0.00 178.83 179.97 1wm4 h HIS 47 N 0.03 0.89 -0.27 2.96 3.86 -1.12 -2.50 115.15 119.01 1wm4 h HIS 47 Ca -0.33 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.87 1wm4 h HIS 47 Cb 2.04 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 30.21 1wm4 h HIS 47 CO 0.11 0.64 0.15 0.27 0.86 0.00 0.00 177.93 179.96 1wm4 h PHE 48 N 0.91 0.27 -0.87 2.45 -5.15 -1.66 -0.27 116.94 112.62 1wm4 h PHE 48 Ca 0.23 0.01 0.22 0.00 -0.20 0.00 0.00 57.97 58.23 1wm4 h PHE 48 Cb 0.07 -0.08 -0.13 0.00 0.22 0.00 0.00 35.95 36.02 1wm4 h PHE 48 CO 0.01 0.16 0.31 0.82 -2.00 0.00 0.00 178.31 177.60 1wm4 h ILE 49 N 0.30 0.41 0.00 0.88 2.04 -1.55 0.54 117.51 120.13 1wm4 h ILE 49 Ca 0.11 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1wm4 h ILE 49 Cb 0.01 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1wm4 h ILE 49 CO -0.06 0.06 -0.29 0.00 0.00 0.00 0.00 178.15 177.86 1wm4 n GLN 50 N -5.13 0.00 -0.11 2.37 -0.00 -0.81 -3.48 117.38 110.22 1wm4 n GLN 50 Ca 0.21 0.00 0.06 0.00 -0.00 0.00 0.00 57.00 57.27 1wm4 n GLN 50 Cb 0.65 -1.50 0.21 0.00 -0.00 0.00 0.00 30.24 29.60 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 -1.51 1.58 -2.83 2.61 1.13 0.19 -4.06 117.38 114.49 1wm4 n GLN 51 Ca 0.06 -0.89 -0.20 0.00 -1.94 0.00 0.00 57.00 54.04 1wm4 n GLN 51 Cb 0.34 -1.25 -0.01 0.00 0.11 0.00 0.00 30.24 29.42 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 -3.81 3.81 -2.00 0.00 -4.23 -1.26 -4.83 115.64 103.33 1wm4 s THR 53 Ca 0.41 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1wm4 s THR 53 Cb 0.37 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1wm4 s THR 53 CO -0.09 -0.74 0.18 -0.90 -0.54 0.00 0.00 174.62 172.53 1wm4 n ASP 54 N -3.13 0.00 -0.45 3.99 5.68 -1.26 -1.35 116.55 120.03 1wm4 n ASP 54 Ca 0.08 -0.20 0.08 0.00 -0.50 0.00 0.00 54.79 54.25 1wm4 n ASP 54 Cb 0.53 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.70 1wm4 n ASP 54 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wm4 n ASP 55 N -0.56 2.74 -3.92 -1.12 9.92 -1.26 -2.89 116.55 119.45 1wm4 n ASP 55 Ca 0.00 -3.21 -0.09 0.00 -0.53 0.00 0.00 54.79 50.97 1wm4 n ASP 55 Cb 0.00 -0.49 -0.09 0.00 -0.64 0.00 0.00 41.12 39.91 1wm4 n ASP 55 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wm4 s VAL 56 N -2.93 0.15 -0.11 2.53 1.01 -0.45 -5.02 120.40 115.57 1wm4 s VAL 56 Ca 0.37 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1wm4 s VAL 56 Cb 0.32 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1wm4 s VAL 56 CO 0.03 -0.68 0.03 -0.13 0.00 0.00 0.00 175.10 174.35 1wm4 s ARG 57 N -3.31 0.49 0.34 2.72 3.00 -1.26 -1.83 118.95 119.10 1wm4 s ARG 57 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 55.73 55.55 1wm4 s ARG 57 Cb 0.03 -1.30 0.04 0.00 0.00 0.00 0.00 34.95 33.72 1wm4 s ARG 57 CO -0.08 -0.43 0.76 -0.48 0.00 0.00 0.00 175.30 175.07 1wm4 s LEU 58 N 1.98 -0.07 0.12 2.53 -0.00 -0.35 -4.63 118.68 118.27 1wm4 s LEU 58 Ca 0.03 -0.95 0.06 0.00 -0.00 0.00 0.00 54.13 53.27 1wm4 s LEU 58 Cb -0.14 2.77 -0.04 0.00 -0.00 0.00 0.00 46.19 48.78 1wm4 s LEU 58 CO -0.06 -1.55 -0.01 -0.36 -0.00 0.00 0.00 176.35 174.36 1wm4 s PHE 59 N -2.93 2.92 0.08 3.48 0.40 -1.26 0.11 117.98 120.78 1wm4 s PHE 59 Ca 0.14 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1wm4 s PHE 59 Cb -0.05 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1wm4 s PHE 59 CO 0.10 0.48 -0.09 0.00 0.70 0.00 0.00 175.22 176.41 1wm4 s ALA 60 N -1.42 0.93 -0.30 5.36 0.00 -0.06 -4.28 121.76 122.00 1wm4 s ALA 60 Ca 0.26 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1wm4 s ALA 60 Cb -0.11 0.06 0.15 0.00 0.00 0.00 0.00 23.12 23.21 1wm4 s ALA 60 CO 0.18 -0.07 0.34 0.12 0.00 0.00 0.00 175.76 176.33 1wm4 s PHE 61 N -2.35 -0.62 0.17 0.00 5.36 -1.25 -0.44 117.98 118.85 1wm4 s PHE 61 Ca 0.02 -0.08 0.11 0.00 -0.96 0.00 0.00 56.93 56.02 1wm4 s PHE 61 Cb -0.03 -0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.24 1wm4 s PHE 61 CO -0.01 -0.95 -0.22 0.54 -1.46 0.00 0.00 175.22 173.12 1wm4 s VAL 62 N 2.34 2.49 -0.17 3.12 0.11 -1.24 -3.90 120.40 123.14 1wm4 s VAL 62 Ca 0.10 -1.85 -0.25 0.00 -2.93 0.00 0.00 61.98 57.04 1wm4 s VAL 62 Cb -0.13 -2.17 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1wm4 s VAL 62 CO -0.30 -0.04 0.83 -0.60 -3.33 0.00 0.00 175.10 171.67 1wm4 s ARG 63 N -2.47 4.29 0.19 1.54 3.00 -1.25 -3.99 118.95 120.25 1wm4 s ARG 63 Ca 0.19 1.01 0.07 0.00 -1.00 0.00 0.00 55.73 56.00 1wm4 s ARG 63 Cb -0.09 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.24 1wm4 s ARG 63 CO 0.10 -0.34 0.09 -0.06 0.00 0.00 0.00 175.30 175.08 1wm4 s PHE 64 N 2.20 3.00 0.66 5.12 0.08 0.12 -4.89 117.98 124.26 1wm4 s PHE 64 Ca 0.38 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.23 1wm4 s PHE 64 Cb -0.16 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1wm4 s PHE 64 CO 0.12 0.53 1.05 0.99 -0.10 0.00 0.00 175.22 177.81 1wm4 s THR 65 N -1.87 4.25 0.26 0.64 2.01 -1.26 0.25 115.64 119.92 1wm4 s THR 65 Ca 0.30 0.73 0.08 0.00 0.31 0.00 0.00 61.69 63.12 1wm4 s THR 65 Cb -0.09 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1wm4 s THR 65 CO 0.22 -0.96 0.08 0.28 -0.69 0.00 0.00 174.62 173.55 1wm4 s THR 66 N -3.17 3.88 0.00 -0.82 -1.32 -1.26 -4.46 115.64 108.48 1wm4 s THR 66 Ca 0.57 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 1wm4 s THR 66 Cb -0.12 -3.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 1wm4 s THR 66 CO 0.54 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1wm4 n GLY 67 N -0.99 -1.19 2.72 6.08 0.00 -1.26 -4.71 105.19 105.85 1wm4 n GLY 67 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1wm4 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wm4 n ASP 68 N 0.00 1.85 -4.69 1.61 2.03 -1.26 -5.07 116.55 111.01 1wm4 n ASP 68 Ca 0.00 -2.38 -0.35 0.00 0.52 0.00 0.00 54.79 52.58 1wm4 n ASP 68 Cb 0.00 -0.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.83 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wm4 s ALA 69 N -3.59 3.59 0.22 -1.67 0.00 -1.26 -4.98 121.76 114.07 1wm4 s ALA 69 Ca 0.29 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1wm4 s ALA 69 Cb 0.37 -2.09 0.20 0.00 0.00 0.00 0.00 23.12 21.60 1wm4 s ALA 69 CO -0.02 0.15 1.54 0.52 0.00 0.00 0.00 175.76 177.96 1wm4 h MET 70 N 6.71 0.39 -7.34 0.00 0.00 -2.00 -3.44 114.93 109.25 1wm4 h MET 70 Ca -0.40 -0.25 -0.51 0.00 0.00 0.00 0.00 59.70 58.55 1wm4 h MET 70 Cb 1.16 0.03 0.11 0.00 0.00 0.00 0.00 31.60 32.90 1wm4 h MET 70 CO 0.74 0.85 0.34 0.45 0.00 0.00 0.00 176.91 179.29 1wm4 s SER 71 N -6.91 4.85 -1.29 1.22 0.15 -1.26 -3.81 113.70 106.65 1wm4 s SER 71 Ca -0.06 1.63 -0.02 0.00 0.70 0.00 0.00 55.95 58.20 1wm4 s SER 71 Cb 0.12 -2.41 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1wm4 s SER 71 CO 0.82 -1.79 0.69 0.29 1.20 0.00 0.00 173.24 174.45 1wm4 n LYS 72 N -3.35 -4.38 -1.54 5.44 4.76 -1.26 -4.78 118.16 113.06 1wm4 n LYS 72 Ca 0.08 0.60 -0.55 0.00 -2.87 0.00 0.00 58.31 55.57 1wm4 n LYS 72 Cb 0.54 -5.07 -0.07 0.00 -1.84 0.00 0.00 35.03 28.59 1wm4 n LYS 72 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1wm4 n ARG 73 N -4.23 0.52 -1.48 1.97 3.00 -1.25 -4.40 116.66 110.79 1wm4 n ARG 73 Ca -0.28 0.19 0.07 0.00 -0.00 0.00 0.00 57.85 57.82 1wm4 n ARG 73 Cb 0.67 -1.72 -0.04 0.00 0.00 0.00 0.00 32.46 31.38 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wm4 n SER 74 N 1.94 -7.50 -4.73 6.15 7.64 -1.26 -4.88 113.62 110.98 1wm4 n SER 74 Ca 0.19 1.57 -0.33 0.00 1.01 0.00 0.00 58.87 61.30 1wm4 n SER 74 Cb 0.14 -4.79 -0.08 0.00 -1.01 0.00 0.00 64.21 58.47 1wm4 n SER 74 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wm4 s LYS 75 N -4.95 2.97 -0.11 1.43 -0.14 0.70 -4.82 119.74 114.82 1wm4 s LYS 75 Ca 0.00 -0.49 -0.01 0.00 -1.36 0.00 0.00 55.97 54.11 1wm4 s LYS 75 Cb 0.00 -2.80 0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1wm4 s LYS 75 CO 0.00 0.66 -0.01 -0.06 -0.76 0.00 0.00 175.35 175.18 1wm4 s PHE 76 N -1.08 1.00 0.19 3.18 0.40 -1.26 0.12 117.98 120.52 1wm4 s PHE 76 Ca 0.19 -0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1wm4 s PHE 76 Cb -0.12 -0.98 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1wm4 s PHE 76 CO 0.09 -0.44 0.23 0.00 0.70 0.00 0.00 175.22 175.79 1wm4 s ALA 77 N 1.87 0.51 0.21 5.36 0.00 -1.26 0.22 121.76 128.68 1wm4 s ALA 77 Ca 0.04 -1.27 0.09 0.00 0.00 0.00 0.00 51.96 50.82 1wm4 s ALA 77 Cb -0.13 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1wm4 s ALA 77 CO -0.07 -0.64 -0.07 -1.17 0.00 0.00 0.00 175.76 173.82 1wm4 s LEU 78 N -3.06 3.03 -0.03 0.00 2.96 -1.09 -3.72 118.68 116.77 1wm4 s LEU 78 Ca 0.27 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1wm4 s LEU 78 Cb 0.05 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1wm4 s LEU 78 CO 0.06 0.07 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.50 1wm4 s ILE 79 N -1.95 0.34 -0.35 6.68 1.01 0.42 -0.28 121.20 127.07 1wm4 s ILE 79 Ca 0.27 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.73 1wm4 s ILE 79 Cb -0.08 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1wm4 s ILE 79 CO 0.17 0.17 0.43 -0.89 0.00 0.00 0.00 174.94 174.82 1wm4 s THR 80 N 0.85 5.10 -0.39 2.92 2.01 -0.75 -0.88 115.64 124.50 1wm4 s THR 80 Ca -0.10 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 1wm4 s THR 80 Cb -0.13 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.49 1wm4 s THR 80 CO -0.01 -0.17 0.55 0.86 -0.69 0.00 0.00 174.62 175.16 1wm4 s TRP 81 N 2.17 3.14 -0.53 4.92 -0.11 0.30 -2.53 118.94 126.30 1wm4 s TRP 81 Ca 0.14 0.01 -0.01 0.00 1.22 0.00 0.00 56.10 57.47 1wm4 s TRP 81 Cb -0.16 -3.08 0.14 0.00 -1.50 0.00 0.00 33.47 28.87 1wm4 s TRP 81 CO 0.12 -0.69 0.32 0.42 -4.62 0.00 0.00 176.95 172.51 1wm4 s ILE 82 N 2.52 3.27 0.82 5.86 -1.09 -1.25 -1.21 121.20 130.12 1wm4 s ILE 82 Ca 0.19 -2.79 -0.16 0.00 -2.23 0.00 0.00 60.65 55.67 1wm4 s ILE 82 Cb -0.15 -3.20 -0.05 0.00 -1.58 0.00 0.00 42.46 37.48 1wm4 s ILE 82 CO 0.15 -0.80 0.16 0.61 -1.23 0.00 0.00 174.94 173.84 1wm4 n GLY 83 N 3.71 -2.46 0.19 6.18 0.00 -0.76 -4.88 105.19 107.18 1wm4 n GLY 83 Ca 0.05 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.14 0.53 -0.83 1.61 1.02 -1.14 -4.00 120.64 117.69 1wm4 n GLU 84 Ca 0.06 -0.39 0.04 0.00 -0.02 0.00 0.00 57.16 56.86 1wm4 n GLU 84 Cb 0.52 -1.49 0.35 0.00 -0.02 0.00 0.00 31.44 30.80 1wm4 n GLU 84 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wm4 n ASP 85 N -0.89 5.09 -0.37 1.62 9.92 -1.18 -4.92 116.55 125.82 1wm4 n ASP 85 Ca 0.08 -3.04 0.00 0.00 -0.53 0.00 0.00 54.79 51.30 1wm4 n ASP 85 Cb 0.37 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 1wm4 n ASP 85 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1wm4 n VAL 86 N 0.17 0.00 -0.96 2.53 0.31 -1.26 -5.04 118.33 114.08 1wm4 n VAL 86 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1wm4 n VAL 86 Cb 1.17 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.10 1wm4 n VAL 86 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1wm4 n SER 87 N 0.00 0.91 0.13 4.52 7.64 -1.26 -5.02 113.62 120.54 1wm4 n SER 87 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1wm4 n SER 87 Cb 0.00 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.40 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wm4 h GLY 88 N 0.00 0.00 -0.00 0.23 0.00 -2.01 -3.38 103.07 97.90 1wm4 h GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wm4 h GLY 88 CO 0.00 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 1wm4 h LEU 89 N 0.00 -0.02 -1.95 3.11 4.07 -2.00 0.50 115.31 119.01 1wm4 h LEU 89 Ca 0.00 0.00 0.43 0.00 0.08 0.00 0.00 57.88 58.40 1wm4 h LEU 89 Cb 0.86 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.55 1wm4 h LEU 89 CO 0.00 -0.00 1.10 1.56 -1.08 0.00 0.00 178.44 180.02 1wm4 h GLN 90 N -0.01 0.00 0.25 1.13 7.50 -1.96 0.14 115.11 122.16 1wm4 h GLN 90 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1wm4 h GLN 90 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 1wm4 h GLN 90 CO -0.01 0.00 -0.29 -0.09 -1.50 0.00 0.00 178.83 176.95 1wm4 h ARG 91 N 0.00 -0.52 0.01 1.46 1.12 -0.21 0.47 114.38 116.72 1wm4 h ARG 91 Ca 0.71 0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 59.45 1wm4 h ARG 91 Cb 2.90 0.12 0.01 0.00 -0.01 0.00 0.00 29.97 32.99 1wm4 h ARG 91 CO -0.01 -0.35 -0.64 0.00 -3.11 0.00 0.00 179.97 175.86 1wm4 h ALA 92 N -1.24 0.06 0.41 2.80 0.00 -0.95 -2.31 119.26 118.03 1wm4 h ALA 92 Ca -0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1wm4 h ALA 92 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wm4 h ALA 92 CO -0.05 0.37 -0.20 0.87 0.00 0.00 0.00 179.25 180.24 1wm4 h LYS 93 N -0.11 -0.53 -0.14 0.00 6.56 -0.82 -0.61 116.57 120.93 1wm4 h LYS 93 Ca -0.08 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.59 1wm4 h LYS 93 Cb 1.36 0.12 -0.06 0.00 -0.57 0.00 0.00 32.23 33.08 1wm4 h LYS 93 CO 0.13 -0.35 -0.29 1.15 -2.06 0.00 0.00 179.45 178.02 1wm4 h THR 94 N -0.55 0.33 -0.43 -0.16 2.02 -0.21 0.56 112.91 114.47 1wm4 h THR 94 Ca -0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1wm4 h THR 94 Cb 0.42 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1wm4 h THR 94 CO 0.09 0.00 -0.41 1.23 0.37 0.00 0.00 175.52 176.80 1wm4 h GLY 95 N -0.36 -1.31 0.77 2.16 0.00 -1.27 1.81 103.07 104.87 1wm4 h GLY 95 Ca 0.10 0.80 -0.00 0.00 0.00 0.00 0.00 47.33 48.23 1wm4 h GLY 95 CO -0.34 -0.28 -0.01 -0.91 0.00 0.00 0.00 176.54 174.99 1wm4 h THR 96 N -0.19 1.15 -0.59 4.70 1.35 -0.67 -3.00 112.91 115.65 1wm4 h THR 96 Ca 0.07 -0.53 -0.10 0.00 -0.55 0.00 0.00 66.41 65.30 1wm4 h THR 96 Cb 0.38 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 1wm4 h THR 96 CO -0.51 0.14 -0.03 0.44 -0.25 0.00 0.00 175.52 175.31 1wm4 h ASP 97 N -0.26 1.04 0.05 5.36 3.32 0.61 -2.31 116.42 124.23 1wm4 h ASP 97 Ca -0.00 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1wm4 h ASP 97 Cb 0.25 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1wm4 h ASP 97 CO 0.01 1.11 -0.01 0.07 -1.72 0.00 0.00 179.24 178.69 1wm4 h LYS 98 N 0.95 0.00 0.11 3.56 5.09 0.28 -0.57 116.57 125.99 1wm4 h LYS 98 Ca 0.16 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.61 1wm4 h LYS 98 Cb 0.59 0.00 0.03 0.00 0.10 0.00 0.00 32.23 32.95 1wm4 h LYS 98 CO 0.04 0.01 -1.22 1.15 -2.09 0.00 0.00 179.45 177.34 1wm4 h THR 99 N 0.00 1.30 0.68 0.07 2.02 -1.28 -3.16 112.91 112.54 1wm4 h THR 99 Ca -0.00 -2.48 -0.03 0.00 0.77 0.00 0.00 66.41 64.67 1wm4 h THR 99 Cb 0.04 2.67 0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1wm4 h THR 99 CO 0.00 0.75 -0.33 -0.07 0.37 0.00 0.00 175.52 176.25 1wm4 h LEU 100 N 0.27 -0.77 -0.94 2.58 3.38 -0.77 0.16 115.31 119.22 1wm4 h LEU 100 Ca -0.18 0.03 0.13 0.00 0.09 0.00 0.00 57.88 57.95 1wm4 h LEU 100 Cb 1.89 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 42.70 1wm4 h LEU 100 CO 0.23 -0.46 -0.42 0.52 0.09 0.00 0.00 178.44 178.40 1wm4 n VAL 101 N -4.97 -0.54 -0.15 1.22 0.31 -0.50 0.36 118.33 114.06 1wm4 n VAL 101 Ca -0.11 2.23 -0.10 0.00 -0.01 0.00 0.00 64.34 66.35 1wm4 n VAL 101 Cb 0.36 -2.89 -0.01 0.00 -0.91 0.00 0.00 33.84 30.39 1wm4 n VAL 101 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1wm4 h LYS 102 N 0.00 0.72 -1.36 5.55 3.64 -1.54 -2.98 116.57 120.61 1wm4 h LYS 102 Ca 0.28 -0.20 0.43 0.00 -1.27 0.00 0.00 60.65 59.89 1wm4 h LYS 102 Cb 0.51 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.16 1wm4 h LYS 102 CO -0.92 0.76 0.92 -1.91 -2.27 0.00 0.00 179.45 176.03 1wm4 n GLU 103 N -4.47 -0.02 -1.62 1.90 2.13 0.16 0.30 120.64 119.02 1wm4 n GLU 103 Ca -0.00 0.99 -0.05 0.00 0.66 0.00 0.00 57.16 58.76 1wm4 n GLU 103 Cb 0.25 -2.08 0.09 0.00 0.27 0.00 0.00 31.44 29.97 1wm4 n GLU 103 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1wm4 n VAL 104 N -4.06 1.71 -3.99 6.31 3.14 -1.13 -5.02 118.33 115.29 1wm4 n VAL 104 Ca 0.35 -3.06 -0.34 0.00 -2.96 0.00 0.00 64.34 58.33 1wm4 n VAL 104 Cb 1.46 0.01 -0.15 0.00 -1.06 0.00 0.00 33.84 34.10 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 -3.14 2.86 0.00 1.55 0.11 0.15 -4.92 120.40 117.01 1wm4 s VAL 105 Ca 0.39 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1wm4 s VAL 105 Cb 0.38 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 1wm4 s VAL 105 CO -0.05 0.46 0.00 0.00 -3.33 0.00 0.00 175.10 172.18 1wm4 n GLN 106 N 4.73 2.08 -0.24 1.54 10.64 -1.26 -4.76 117.38 130.11 1wm4 n GLN 106 Ca -0.19 0.00 0.20 0.00 -1.83 0.00 0.00 57.00 55.18 1wm4 n GLN 106 Cb 0.50 -0.70 0.53 0.00 -0.86 0.00 0.00 30.24 29.72 1wm4 n GLN 106 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1wm4 h ASN 107 N 0.00 0.37 -2.75 2.61 4.21 -1.99 -3.41 115.58 114.63 1wm4 h ASN 107 Ca 0.00 0.04 -0.26 0.00 1.21 0.00 0.00 56.30 57.29 1wm4 h ASN 107 Cb 0.30 -0.03 0.13 0.00 -1.12 0.00 0.00 38.32 37.60 1wm4 h ASN 107 CO 0.00 0.14 0.08 2.22 -1.29 0.00 0.00 177.43 178.59 1wm4 n PHE 108 N -4.49 -3.60 0.00 1.19 -1.74 -1.26 -4.89 117.46 102.66 1wm4 n PHE 108 Ca 0.19 -0.66 0.00 0.00 -0.56 0.00 0.00 57.45 56.42 1wm4 n PHE 108 Cb 0.72 -0.75 0.00 0.00 1.52 0.00 0.00 39.48 40.97 1wm4 n PHE 108 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1wm4 n ALA 109 N -4.22 1.74 -3.59 1.98 0.00 0.60 -4.93 120.51 112.09 1wm4 n ALA 109 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1wm4 n ALA 109 Cb 0.39 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.74 0.82 0.10 0.00 2.47 -1.09 -5.03 119.74 115.27 1wm4 s LYS 110 Ca 0.00 0.91 0.03 0.00 -1.56 0.00 0.00 55.97 55.35 1wm4 s LYS 110 Cb 0.00 0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 36.73 1wm4 s LYS 110 CO 0.00 -0.11 0.10 -1.83 0.16 0.00 0.00 175.35 173.67 1wm4 s GLU 111 N 0.26 2.94 0.08 4.03 1.03 -1.26 -2.66 118.70 123.11 1wm4 s GLU 111 Ca -0.01 -0.71 0.02 0.00 0.03 0.00 0.00 54.97 54.30 1wm4 s GLU 111 Cb -0.04 -2.74 -0.04 0.00 -0.80 0.00 0.00 34.13 30.51 1wm4 s GLU 111 CO 0.02 0.55 -0.07 -0.06 -1.33 0.00 0.00 175.26 174.37 1wm4 s PHE 112 N -1.48 0.81 -0.32 4.83 0.08 0.61 -4.88 117.98 117.64 1wm4 s PHE 112 Ca 0.30 -0.80 0.02 0.00 0.12 0.00 0.00 56.93 56.57 1wm4 s PHE 112 Cb -0.12 -0.48 0.08 0.00 -0.57 0.00 0.00 43.02 41.94 1wm4 s PHE 112 CO 0.23 -0.14 0.01 0.14 -0.10 0.00 0.00 175.22 175.36 1wm4 s VAL 113 N -2.98 2.47 0.13 -0.44 -7.23 -1.26 -1.82 120.40 109.27 1wm4 s VAL 113 Ca 0.05 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1wm4 s VAL 113 Cb 0.01 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1wm4 s VAL 113 CO -0.03 -0.37 0.31 -0.63 -0.31 0.00 0.00 175.10 174.06 1wm4 s ILE 114 N 1.04 5.27 0.00 -0.62 -1.09 -1.05 -4.89 121.20 119.86 1wm4 s ILE 114 Ca 0.02 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1wm4 s ILE 114 Cb -0.20 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1wm4 s ILE 114 CO -0.06 0.02 0.27 -1.20 -1.23 0.00 0.00 174.94 172.74 1wm4 n SER 115 N -0.06 0.00 -4.13 3.58 7.64 -1.26 -3.75 113.62 115.64 1wm4 n SER 115 Ca -0.04 -1.00 -0.13 0.00 1.01 0.00 0.00 58.87 58.71 1wm4 n SER 115 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 1wm4 n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wm4 s ASP 116 N 0.00 1.09 0.11 6.43 -1.08 -1.26 -4.88 116.67 117.08 1wm4 s ASP 116 Ca 0.00 -0.76 -0.14 0.00 -0.52 0.00 0.00 52.55 51.12 1wm4 s ASP 116 Cb 0.00 0.05 -0.07 0.00 -1.46 0.00 0.00 42.92 41.43 1wm4 s ASP 116 CO 0.00 -0.30 1.44 -0.09 0.52 0.00 0.00 175.17 176.73 1wm4 h ARG 117 N 3.77 0.73 0.00 4.34 2.43 -1.98 -2.52 114.38 121.15 1wm4 h ARG 117 Ca -0.36 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 1wm4 h ARG 117 Cb 1.19 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1wm4 h ARG 117 CO 0.52 0.99 0.00 1.63 -1.51 0.00 0.00 179.97 181.60 1wm4 n LYS 118 N -4.25 0.45 -0.01 0.20 5.02 -1.26 -2.55 118.16 115.76 1wm4 n LYS 118 Ca -0.03 0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1wm4 n LYS 118 Cb 0.46 -1.50 0.65 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.21 1.43 -0.48 1.97 -0.58 -0.95 -3.38 120.64 117.45 1wm4 n GLU 119 Ca 0.13 -0.63 0.08 0.00 -0.42 0.00 0.00 57.16 56.33 1wm4 n GLU 119 Cb 0.16 -1.47 0.29 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.22 4.18 -4.77 -4.62 4.77 -1.06 -4.68 117.00 110.60 1wm4 n LEU 120 Ca 0.20 -2.45 -0.40 0.00 -0.03 0.00 0.00 56.01 53.33 1wm4 n LEU 120 Cb 0.26 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1wm4 n LEU 120 CO 0.16 0.77 0.93 -1.61 -1.33 0.00 0.00 177.39 176.31 1wm4 s GLU 121 N -1.83 4.37 0.13 3.23 0.41 -1.22 -4.86 118.70 118.94 1wm4 s GLU 121 Ca 0.43 2.09 -0.23 0.00 -0.41 0.00 0.00 54.97 56.85 1wm4 s GLU 121 Cb 0.28 -3.05 -0.01 0.00 -1.78 0.00 0.00 34.13 29.57 1wm4 s GLU 121 CO 0.20 -0.13 1.64 1.05 -0.49 0.00 0.00 175.26 177.53 1wm4 h GLU 122 N 3.37 -0.27 -0.94 1.61 4.11 -1.94 0.13 114.58 120.66 1wm4 h GLU 122 Ca -0.48 0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.07 1wm4 h GLU 122 Cb 1.22 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 1wm4 h GLU 122 CO 0.65 -0.18 0.60 -0.44 0.07 0.00 0.00 179.01 179.72 1wm4 h ASP 123 N -0.28 0.85 -0.19 3.06 3.32 -1.97 1.54 116.42 122.75 1wm4 h ASP 123 Ca 0.10 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1wm4 h ASP 123 Cb 0.42 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1wm4 h ASP 123 CO -0.29 0.48 0.08 0.15 -1.72 0.00 0.00 179.24 177.94 1wm4 h PHE 124 N 0.92 0.28 0.00 4.55 3.57 -1.53 -1.69 116.94 123.04 1wm4 h PHE 124 Ca 0.45 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.87 1wm4 h PHE 124 Cb 0.46 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1wm4 h PHE 124 CO -0.00 0.33 -0.26 0.82 -2.23 0.00 0.00 178.31 176.97 1wm4 h ILE 125 N 0.15 0.54 0.41 1.41 1.08 0.19 -3.01 117.51 118.28 1wm4 h ILE 125 Ca 0.06 -1.35 -0.02 0.00 -0.39 0.00 0.00 64.86 63.16 1wm4 h ILE 125 Cb 0.17 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1wm4 h ILE 125 CO -0.01 0.25 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.42 1wm4 h ARG 126 N 0.00 -0.53 0.00 2.37 2.43 0.28 0.82 114.38 119.75 1wm4 h ARG 126 Ca -0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1wm4 h ARG 126 Cb 0.92 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1wm4 h ARG 126 CO 0.03 -0.23 -0.02 0.77 -1.51 0.00 0.00 179.97 179.02 1wm4 h SER 127 N -0.82 0.00 0.21 -3.80 0.02 -1.36 -0.07 113.55 107.71 1wm4 h SER 127 Ca -0.06 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.54 1wm4 h SER 127 Cb 0.54 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1wm4 h SER 127 CO 0.09 0.02 -1.73 -0.33 -1.14 0.00 0.00 176.83 173.73 1wm4 h GLU 128 N 0.00 0.40 0.00 3.45 3.07 -1.32 -3.30 114.58 116.87 1wm4 h GLU 128 Ca -0.00 -0.68 -0.04 0.00 -0.50 0.00 0.00 59.36 58.14 1wm4 h GLU 128 Cb 0.07 0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1wm4 h GLU 128 CO 0.00 1.32 -0.20 -0.07 -1.40 0.00 0.00 179.01 178.66 1wm4 h LEU 129 N 0.11 0.00 -1.43 1.33 3.38 0.15 -2.72 115.31 116.13 1wm4 h LEU 129 Ca -0.34 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.89 1wm4 h LEU 129 Cb 2.10 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.77 1wm4 h LEU 129 CO 0.18 0.20 0.67 0.11 0.09 0.00 0.00 178.44 179.69 1wm4 h LYS 130 N 0.00 0.36 0.00 1.13 6.56 -1.12 -3.43 116.57 120.07 1wm4 h LYS 130 Ca -0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1wm4 h LYS 130 Cb 0.65 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1wm4 h LYS 130 CO 0.03 0.24 0.00 1.17 -2.06 0.00 0.00 179.45 178.83 1wm4 n LYS 131 N -4.57 0.00 0.00 3.15 4.81 -1.03 -5.09 118.16 115.42 1wm4 n LYS 131 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1wm4 n LYS 131 Cb 0.86 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.91 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 -1.05 1.60 0.00 3.14 0.00 -1.18 -5.03 120.51 117.98 1wm4 n ALA 132 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wm4 n ALA 132 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 3.65 0.75 0.00 0.00 0.00 -1.26 -4.52 105.19 103.81 1wm4 n GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 7.00 -0.02 0.00 -1.26 -4.96 105.19 105.95 1wm4 n GLY 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -1.00 4.61 0.00 -1.26 -4.34 120.51 118.52 1wm4 n ALA 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wm4 n ALA 135 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 6.49 0.00 0.00 0.00 0.23 -1.26 -4.41 115.26 116.31 1wm4 n ASN 136 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1wm4 n ASN 136 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 0.00 0.00 0.34 -2.53 9.36 -1.26 -4.29 117.16 118.78 1wm4 n TYR 137 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 1wm4 n TYR 137 Cb 0.00 0.00 0.45 0.00 -0.63 0.00 0.00 39.34 39.16 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 0.00 0.00 -2.42 2.98 1.82 -1.86 -3.39 116.42 113.55 1wm4 h ASP 138 Ca 0.00 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.14 1wm4 h ASP 138 Cb 0.00 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 39.64 1wm4 h ASP 138 CO 0.00 0.00 -0.78 0.00 -1.61 0.00 0.00 179.24 176.85 1wm4 s ALA 139 N -3.38 0.44 -1.46 -0.78 0.00 -1.26 -5.02 121.76 110.30 1wm4 s ALA 139 Ca 0.05 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 1wm4 s ALA 139 Cb 0.08 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.54 1wm4 s ALA 139 CO 0.57 -2.02 2.59 1.04 0.00 0.00 0.00 175.76 177.94 1wm4 n GLN 140 N 4.37 4.09 -0.13 0.00 6.02 -1.26 -4.50 117.38 125.96 1wm4 n GLN 140 Ca 0.08 -2.90 0.10 0.00 -0.01 0.00 0.00 57.00 54.28 1wm4 n GLN 140 Cb 0.40 -2.75 0.30 0.00 1.02 0.00 0.00 30.24 29.21 1wm4 n GLN 140 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wm4 n SER 141 N 2.83 2.30 0.00 1.08 2.88 -1.26 -5.14 113.62 116.30 1wm4 n SER 141 Ca 0.68 -1.84 0.12 0.00 -1.33 0.00 0.00 58.87 56.50 1wm4 n SER 141 Cb 0.25 -0.18 0.72 0.00 -0.75 0.00 0.00 64.21 64.26 1wm4 n SER 141 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02