#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 0.94 -2.94 3.04 0.00 -1.26 -5.11 120.51 115.18 1wm4 n ALA 2 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1wm4 n ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 0.14 -0.10 0.00 2.01 -1.26 -5.08 115.64 111.35 1wm4 s THR 3 Ca 0.00 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1wm4 s THR 3 Cb 0.00 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.29 1wm4 s THR 3 CO 0.00 -0.38 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.01 1wm4 s LYS 4 N -1.16 0.81 -0.06 4.92 1.02 -1.26 -5.10 119.74 118.92 1wm4 s LYS 4 Ca -0.12 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.82 1wm4 s LYS 4 Cb -0.08 -1.30 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1wm4 s LYS 4 CO -0.01 -0.35 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.49 1wm4 s ILE 5 N 1.90 3.63 -0.66 2.17 2.07 -1.26 -1.57 121.20 127.48 1wm4 s ILE 5 Ca 0.04 -0.53 -0.02 0.00 -1.41 0.00 0.00 60.65 58.72 1wm4 s ILE 5 Cb -0.13 -2.49 0.32 0.00 0.13 0.00 0.00 42.46 40.29 1wm4 s ILE 5 CO -0.06 0.58 2.16 -0.67 -1.91 0.00 0.00 174.94 175.04 1wm4 n ASP 6 N 2.17 7.28 0.17 4.50 2.03 -1.13 -4.71 116.55 126.85 1wm4 n ASP 6 Ca -0.18 -3.62 0.09 0.00 0.52 0.00 0.00 54.79 51.61 1wm4 n ASP 6 Cb 0.53 -1.07 0.15 0.00 -0.72 0.00 0.00 41.12 40.02 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1wm4 h LYS 7 N 2.48 0.00 -0.87 -0.67 5.09 -1.95 0.46 116.57 121.12 1wm4 h LYS 7 Ca 0.52 0.00 0.14 0.00 0.09 0.00 0.00 60.65 61.39 1wm4 h LYS 7 Cb 0.51 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 32.75 1wm4 h LYS 7 CO 1.31 0.00 0.47 1.49 -2.09 0.00 0.00 179.45 180.63 1wm4 h GLU 8 N 0.00 0.67 0.23 0.07 4.81 -1.98 0.65 114.58 119.03 1wm4 h GLU 8 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1wm4 h GLU 8 Cb 2.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.47 1wm4 h GLU 8 CO -0.00 0.44 -0.11 0.00 -0.73 0.00 0.00 179.01 178.61 1wm4 h ALA 9 N 1.54 -0.86 -0.50 2.92 0.00 -0.47 -1.88 119.26 120.01 1wm4 h ALA 9 Ca 0.46 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1wm4 h ALA 9 Cb 0.60 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1wm4 h ALA 9 CO -0.33 -0.83 -0.53 0.00 0.00 0.00 0.00 179.25 177.55 1wm4 h ARG 11 N -0.30 -0.24 -0.74 0.00 2.43 -0.94 2.15 114.38 116.74 1wm4 h ARG 11 Ca 0.08 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.49 1wm4 h ARG 11 Cb 0.53 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1wm4 h ARG 11 CO -0.63 -0.16 0.58 0.00 -1.51 0.00 0.00 179.97 178.25 1wm4 h ALA 12 N 0.35 2.64 0.00 2.80 0.00 -0.37 -1.89 119.26 122.79 1wm4 h ALA 12 Ca 0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1wm4 h ALA 12 Cb 0.55 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wm4 h ALA 12 CO -0.71 -0.96 -0.93 0.00 0.00 0.00 0.00 179.25 176.65 1wm4 h ALA 13 N 1.54 0.19 -0.53 0.00 0.00 0.36 -3.04 119.26 117.78 1wm4 h ALA 13 Ca 0.35 -1.00 0.09 0.00 0.00 0.00 0.00 54.91 54.35 1wm4 h ALA 13 Cb 1.51 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.76 1wm4 h ALA 13 CO -0.00 0.53 -0.41 1.88 0.00 0.00 0.00 179.25 181.25 1wm4 h TYR 14 N -1.00 -1.21 -0.73 0.00 -1.99 0.35 1.38 116.97 113.77 1wm4 h TYR 14 Ca -0.25 0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.49 1wm4 h TYR 14 Cb 1.16 0.60 -0.03 0.00 2.00 0.00 0.00 36.73 40.46 1wm4 h TYR 14 CO 0.11 -0.42 0.21 -0.91 -0.00 0.00 0.00 178.16 177.15 1wm4 h ASN 15 N -0.24 1.09 0.48 3.88 -0.26 -1.56 -1.73 115.58 117.23 1wm4 h ASN 15 Ca 0.18 -0.22 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 1wm4 h ASN 15 Cb 0.57 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1wm4 h ASN 15 CO -0.65 1.02 -0.18 0.25 -1.06 0.00 0.00 177.43 176.80 1wm4 h LEU 16 N 1.10 0.00 0.00 1.61 5.85 -0.69 -1.33 115.31 121.84 1wm4 h LEU 16 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1wm4 h LEU 16 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1wm4 h LEU 16 CO -0.00 0.18 -0.06 0.52 -0.34 0.00 0.00 178.44 178.74 1wm4 n VAL 17 N -3.67 0.47 0.35 1.05 0.31 0.45 -3.07 118.33 114.21 1wm4 n VAL 17 Ca -0.01 -0.23 0.14 0.00 -0.01 0.00 0.00 64.34 64.23 1wm4 n VAL 17 Cb 0.30 -0.52 0.51 0.00 -0.91 0.00 0.00 33.84 33.22 1wm4 n VAL 17 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wm4 h ARG 18 N 0.00 0.00 0.00 5.55 3.08 -0.74 -3.43 114.38 118.84 1wm4 h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wm4 h ARG 18 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1wm4 h ARG 18 CO 0.00 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.50 1wm4 n ASP 19 N -2.75 0.00 -0.92 7.04 5.75 -1.18 -4.86 116.55 119.64 1wm4 n ASP 19 Ca 0.02 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.90 1wm4 n ASP 19 Cb 0.34 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.60 1wm4 n ASP 19 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1wm4 n ASP 20 N 0.00 3.07 0.00 -1.12 5.68 -1.26 -4.90 116.55 118.02 1wm4 n ASP 20 Ca 0.00 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1wm4 n ASP 20 Cb 0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 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 1.15 0.30 0.23 6.12 0.00 -1.26 -5.03 105.19 106.71 1wm4 n GLY 21 Ca 0.15 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1wm4 n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wm4 h SER 22 N 0.00 0.23 0.00 1.61 4.64 -1.90 -3.48 113.55 114.66 1wm4 h SER 22 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1wm4 h SER 22 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1wm4 h SER 22 CO 0.00 0.43 0.00 0.00 -0.87 0.00 0.00 176.83 176.39 1wm4 n ALA 23 N -2.49 0.00 -0.59 5.18 0.00 -1.26 -5.02 120.51 116.33 1wm4 n ALA 23 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1wm4 n ALA 23 Cb 0.30 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 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 0.00 -0.32 0.00 0.24 -1.26 -4.15 118.33 112.84 1wm4 n VAL 24 Ca 0.00 -0.02 0.19 0.00 -2.04 0.00 0.00 64.34 62.47 1wm4 n VAL 24 Cb 0.00 -1.93 0.39 0.00 -1.47 0.00 0.00 33.84 30.82 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 5.12 0.35 -3.42 1.34 2.10 -1.08 -3.39 117.51 118.52 1wm4 h ILE 25 Ca 0.23 -0.11 -0.22 0.00 1.08 0.00 0.00 64.86 65.85 1wm4 h ILE 25 Cb 0.71 -0.00 -0.29 0.00 -1.09 0.00 0.00 36.82 36.15 1wm4 h ILE 25 CO 1.93 0.06 -0.60 -1.66 -1.08 0.00 0.00 178.15 176.80 1wm4 s TRP 26 N -5.79 -0.12 0.03 2.19 1.48 -1.23 -4.07 118.94 111.44 1wm4 s TRP 26 Ca -0.11 0.33 0.06 0.00 -1.06 0.00 0.00 56.10 55.32 1wm4 s TRP 26 Cb 0.28 -0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.55 1wm4 s TRP 26 CO 0.78 -0.09 -0.16 0.14 -4.06 0.00 0.00 176.95 173.57 1wm4 s VAL 27 N 0.39 2.94 0.02 -0.66 -7.23 -1.26 -2.61 120.40 111.99 1wm4 s VAL 27 Ca -0.03 -1.11 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1wm4 s VAL 27 Cb -0.04 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 1wm4 s VAL 27 CO -0.02 0.35 -0.09 0.42 -0.31 0.00 0.00 175.10 175.46 1wm4 s THR 28 N -0.93 0.70 -0.06 5.32 -4.23 -1.18 -4.09 115.64 111.17 1wm4 s THR 28 Ca 0.15 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1wm4 s THR 28 Cb -0.11 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1wm4 s THR 28 CO 0.06 -0.02 -0.11 0.72 -0.54 0.00 0.00 174.62 174.73 1wm4 s PHE 29 N -0.65 1.37 0.08 3.99 -0.12 -1.26 0.79 117.98 122.17 1wm4 s PHE 29 Ca -0.01 -0.49 0.04 0.00 -0.05 0.00 0.00 56.93 56.42 1wm4 s PHE 29 Cb -0.06 -1.02 -0.04 0.00 -0.63 0.00 0.00 43.02 41.27 1wm4 s PHE 29 CO 0.00 -0.26 0.02 -0.98 -0.05 0.00 0.00 175.22 173.95 1wm4 s ARG 30 N 0.68 2.67 -0.79 1.99 1.70 -0.96 -4.29 118.95 119.95 1wm4 s ARG 30 Ca -0.14 -0.77 -0.27 0.00 -0.47 0.00 0.00 55.73 54.08 1wm4 s ARG 30 Cb -0.16 -2.61 -0.16 0.00 -0.57 0.00 0.00 34.95 31.45 1wm4 s ARG 30 CO 0.03 0.56 2.54 0.66 -1.08 0.00 0.00 175.30 178.01 1wm4 n TYR 31 N 0.62 0.90 -3.13 5.89 4.01 -1.26 -3.48 117.16 120.71 1wm4 n TYR 31 Ca -0.10 0.23 -0.44 0.00 -0.16 0.00 0.00 57.90 57.42 1wm4 n TYR 31 Cb 0.52 -2.37 -0.05 0.00 -0.31 0.00 0.00 39.34 37.13 1wm4 n TYR 31 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1wm4 s ASP 32 N 9.78 6.19 1.90 7.72 -1.08 -0.54 -4.90 116.67 135.75 1wm4 s ASP 32 Ca 1.18 -1.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1wm4 s ASP 32 Cb -0.74 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 38.42 1wm4 s ASP 32 CO 0.38 -1.05 0.00 0.61 0.52 0.00 0.00 175.17 175.63 1wm4 n GLY 33 N 5.25 3.94 1.28 2.66 0.00 -1.26 -1.34 105.19 115.72 1wm4 n GLY 33 Ca -0.09 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 12.34 3.69 -3.73 4.61 0.00 -1.26 -4.93 120.51 131.24 1wm4 n ALA 34 Ca 0.00 -2.45 -0.13 0.00 0.00 0.00 0.00 53.44 50.86 1wm4 n ALA 34 Cb 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 1wm4 n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wm4 s THR 35 N -2.95 -0.06 -0.36 0.00 2.01 -0.45 -4.04 115.64 109.78 1wm4 s THR 35 Ca 0.47 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1wm4 s THR 35 Cb 0.38 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.56 1wm4 s THR 35 CO 0.09 0.07 1.18 -0.63 -0.69 0.00 0.00 174.62 174.63 1wm4 s ILE 36 N 1.31 4.28 0.07 1.82 1.09 -0.61 -1.46 121.20 127.70 1wm4 s ILE 36 Ca -0.09 1.42 0.02 0.00 -1.10 0.00 0.00 60.65 60.91 1wm4 s ILE 36 Cb -0.11 -4.39 -0.03 0.00 -1.06 0.00 0.00 42.46 36.88 1wm4 s ILE 36 CO -0.08 -0.65 -0.08 0.68 -0.10 0.00 0.00 174.94 174.72 1wm4 s VAL 37 N 4.19 0.63 0.21 2.92 -7.23 -1.23 -2.85 120.40 117.06 1wm4 s VAL 37 Ca 0.50 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.12 1wm4 s VAL 37 Cb -0.12 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.69 1wm4 s VAL 37 CO 0.23 -0.55 0.11 -2.65 -0.31 0.00 0.00 175.10 171.93 1wm4 n PRO 38 N 0.89 0.00 0.00 4.82 -0.02 -1.26 -2.26 135.00 137.17 1wm4 n PRO 38 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1wm4 n PRO 38 Cb 0.57 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 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 1.36 0.00 3.04 -1.23 0.00 0.24 -4.47 105.19 104.12 1wm4 n GLY 39 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1wm4 n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wm4 n ASP 40 N -0.90 -0.89 -1.30 1.61 -0.08 -1.01 -4.97 116.55 109.00 1wm4 n ASP 40 Ca 0.00 -2.93 -0.02 0.00 -1.51 0.00 0.00 54.79 50.33 1wm4 n ASP 40 Cb 0.02 1.87 -0.00 0.00 2.34 0.00 0.00 41.12 45.35 1wm4 n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wm4 n GLN 41 N -0.57 0.14 -3.61 -0.67 -0.00 -1.26 -3.08 117.38 108.32 1wm4 n GLN 41 Ca 0.05 -0.41 -0.03 0.00 -0.00 0.00 0.00 57.00 56.61 1wm4 n GLN 41 Cb 0.56 0.43 -0.06 0.00 -0.00 0.00 0.00 30.24 31.16 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 -1.34 -0.21 -0.00 2.61 0.00 -1.07 -4.83 107.32 102.48 1wm4 s GLY 42 Ca 0.04 2.92 0.16 0.00 0.00 0.00 0.00 44.72 47.83 1wm4 s GLY 42 CO 0.03 2.66 0.67 0.00 0.00 0.00 0.00 173.10 176.45 1wm4 n ALA 43 N 4.10 4.06 -3.47 3.20 0.00 -1.26 -0.53 120.51 126.61 1wm4 n ALA 43 Ca -0.17 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 1wm4 n ALA 43 Cb 0.57 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1wm4 n ALA 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wm4 s ASP 44 N -2.50 -0.04 0.04 0.00 -1.08 -1.26 -4.63 116.67 107.20 1wm4 s ASP 44 Ca 0.06 -0.91 -0.20 0.00 -0.52 0.00 0.00 52.55 50.98 1wm4 s ASP 44 Cb 0.12 0.68 -0.14 0.00 -1.46 0.00 0.00 42.92 42.12 1wm4 s ASP 44 CO 0.65 -1.30 1.33 0.22 0.52 0.00 0.00 175.17 176.59 1wm4 h TYR 45 N 2.12 0.47 -1.03 -5.34 3.20 -2.00 -3.06 116.97 111.33 1wm4 h TYR 45 Ca -0.25 -0.15 0.29 0.00 3.14 0.00 0.00 58.73 61.76 1wm4 h TYR 45 Cb 1.25 -0.10 -0.13 0.00 1.54 0.00 0.00 36.73 39.29 1wm4 h TYR 45 CO 0.65 0.80 0.61 1.96 -1.64 0.00 0.00 178.16 180.54 1wm4 h GLN 46 N 0.01 0.42 -0.32 1.82 7.50 -2.01 0.86 115.11 123.40 1wm4 h GLN 46 Ca 0.02 -0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.24 1wm4 h GLN 46 Cb 0.73 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 1wm4 h GLN 46 CO 0.04 0.28 0.41 1.25 -1.50 0.00 0.00 178.83 179.31 1wm4 h HIS 47 N 0.44 0.00 0.00 2.96 2.76 -1.93 0.62 115.15 120.00 1wm4 h HIS 47 Ca 0.68 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.77 1wm4 h HIS 47 Cb 1.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.45 1wm4 h HIS 47 CO -0.01 0.00 -0.35 0.27 -1.30 0.00 0.00 177.93 176.54 1wm4 h PHE 48 N 0.00 0.00 0.00 5.26 -5.15 0.62 -2.61 116.94 115.07 1wm4 h PHE 48 Ca 0.15 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.92 1wm4 h PHE 48 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.14 1wm4 h PHE 48 CO 0.00 0.35 -0.26 0.82 -2.00 0.00 0.00 178.31 177.22 1wm4 h ILE 49 N 0.00 0.00 0.00 0.88 2.04 0.18 -3.30 117.51 117.31 1wm4 h ILE 49 Ca -0.00 -0.58 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 1wm4 h ILE 49 Cb 0.89 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1wm4 h ILE 49 CO 0.05 0.00 -0.86 -0.61 0.00 0.00 0.00 178.15 176.73 1wm4 h GLN 50 N 0.00 0.00 -2.12 2.37 5.75 -1.27 -3.40 115.11 116.44 1wm4 h GLN 50 Ca 0.00 0.00 -0.77 0.00 -0.15 0.00 0.00 58.65 57.73 1wm4 h GLN 50 Cb 0.79 0.00 -0.29 0.00 1.07 0.00 0.00 27.48 29.05 1wm4 h GLN 50 CO 0.00 0.68 0.81 0.00 -2.65 0.00 0.00 178.83 177.67 1wm4 n GLN 51 N -4.52 4.20 -2.84 1.69 10.64 -1.04 -4.69 117.38 120.82 1wm4 n GLN 51 Ca -0.21 -4.27 -0.11 0.00 -1.83 0.00 0.00 57.00 50.57 1wm4 n GLN 51 Cb 0.51 -2.37 0.05 0.00 -0.86 0.00 0.00 30.24 27.57 1wm4 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wm4 s THR 53 N -0.13 4.90 -1.75 0.00 -4.23 -1.26 -4.89 115.64 108.28 1wm4 s THR 53 Ca 0.29 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1wm4 s THR 53 Cb 0.27 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1wm4 s THR 53 CO -0.12 -0.74 0.01 0.47 -0.54 0.00 0.00 174.62 173.70 1wm4 n ASP 54 N -1.97 0.00 -1.22 3.99 9.92 -1.26 -2.15 116.55 123.86 1wm4 n ASP 54 Ca 0.00 -0.02 -0.04 0.00 -0.53 0.00 0.00 54.79 54.21 1wm4 n ASP 54 Cb 0.55 -0.00 0.21 0.00 -0.64 0.00 0.00 41.12 41.24 1wm4 n ASP 54 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wm4 n ASP 55 N -0.26 2.88 -3.79 -2.24 8.00 -1.26 -1.67 116.55 118.22 1wm4 n ASP 55 Ca 0.00 -3.61 -0.13 0.00 0.71 0.00 0.00 54.79 51.76 1wm4 n ASP 55 Cb 0.00 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 40.37 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1wm4 s VAL 56 N -3.17 0.06 -0.08 2.53 -7.23 -0.92 -4.98 120.40 106.60 1wm4 s VAL 56 Ca 0.45 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 60.18 1wm4 s VAL 56 Cb 0.40 -0.55 0.01 0.00 0.56 0.00 0.00 36.38 36.81 1wm4 s VAL 56 CO 0.03 -0.26 -0.15 0.00 -0.31 0.00 0.00 175.10 174.40 1wm4 s ARG 57 N -1.16 2.12 0.03 4.82 1.04 -1.26 -1.45 118.95 123.08 1wm4 s ARG 57 Ca -0.12 -0.55 -0.08 0.00 -1.04 0.00 0.00 55.73 53.93 1wm4 s ARG 57 Cb -0.05 -1.72 0.03 0.00 -2.04 0.00 0.00 34.95 31.17 1wm4 s ARG 57 CO 0.03 0.04 0.39 1.47 -0.04 0.00 0.00 175.30 177.19 1wm4 n LEU 58 N 3.86 0.00 -4.60 -1.89 -0.00 0.25 -4.74 117.00 109.89 1wm4 n LEU 58 Ca -0.21 -0.32 -0.24 0.00 -0.00 0.00 0.00 56.01 55.24 1wm4 n LEU 58 Cb 0.52 0.80 -0.08 0.00 -0.00 0.00 0.00 43.42 44.66 1wm4 n LEU 58 CO 0.25 -0.11 -0.37 -0.36 -0.00 0.00 0.00 177.39 176.81 1wm4 s PHE 59 N -3.72 2.60 0.03 1.47 0.40 -1.26 0.34 117.98 117.84 1wm4 s PHE 59 Ca 0.09 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1wm4 s PHE 59 Cb -0.01 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.34 1wm4 s PHE 59 CO 0.01 0.63 -0.04 0.00 0.70 0.00 0.00 175.22 176.52 1wm4 s ALA 60 N -2.27 0.23 -0.31 5.36 0.00 0.36 -4.33 121.76 120.79 1wm4 s ALA 60 Ca 0.30 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1wm4 s ALA 60 Cb -0.06 0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.35 1wm4 s ALA 60 CO 0.18 -0.16 0.35 0.12 0.00 0.00 0.00 175.76 176.26 1wm4 s PHE 61 N -1.69 -0.57 0.16 0.00 5.36 -1.26 0.23 117.98 120.21 1wm4 s PHE 61 Ca -0.13 -0.23 0.10 0.00 -0.96 0.00 0.00 56.93 55.71 1wm4 s PHE 61 Cb -0.08 -0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.20 1wm4 s PHE 61 CO -0.02 -0.96 -0.18 0.54 -1.46 0.00 0.00 175.22 173.15 1wm4 s VAL 62 N 2.13 2.76 -0.25 3.12 0.11 -1.24 -3.98 120.40 123.05 1wm4 s VAL 62 Ca 0.12 -1.73 -0.29 0.00 -2.93 0.00 0.00 61.98 57.15 1wm4 s VAL 62 Cb -0.14 -2.32 0.01 0.00 -1.53 0.00 0.00 36.38 32.41 1wm4 s VAL 62 CO -0.24 -0.03 1.05 -0.60 -3.33 0.00 0.00 175.10 171.96 1wm4 s ARG 63 N -2.51 4.21 0.17 1.54 3.52 -1.26 -4.03 118.95 120.60 1wm4 s ARG 63 Ca 0.21 1.29 0.03 0.00 -0.13 0.00 0.00 55.73 57.13 1wm4 s ARG 63 Cb -0.09 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1wm4 s ARG 63 CO 0.11 -0.70 0.29 -0.06 -0.81 0.00 0.00 175.30 174.13 1wm4 s PHE 64 N 3.33 3.45 0.29 5.12 0.08 0.13 -4.85 117.98 125.52 1wm4 s PHE 64 Ca 0.45 0.07 -0.28 0.00 0.12 0.00 0.00 56.93 57.29 1wm4 s PHE 64 Cb -0.14 -1.63 -0.09 0.00 -0.57 0.00 0.00 43.02 40.58 1wm4 s PHE 64 CO 0.09 0.50 1.00 -0.08 -0.10 0.00 0.00 175.22 176.63 1wm4 s THR 65 N -1.81 3.88 -0.05 0.64 -1.32 -1.26 0.28 115.64 116.00 1wm4 s THR 65 Ca 0.34 1.77 0.10 0.00 -1.21 0.00 0.00 61.69 62.69 1wm4 s THR 65 Cb -0.10 -4.07 -0.15 0.00 -1.51 0.00 0.00 72.50 66.66 1wm4 s THR 65 CO 0.28 0.32 0.16 0.41 -2.21 0.00 0.00 174.62 173.58 1wm4 n THR 66 N 1.02 0.28 -1.12 5.08 -1.04 -0.93 -4.60 114.28 112.96 1wm4 n THR 66 Ca -0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1wm4 n THR 66 Cb 0.47 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 2.07 -2.67 5.02 3.41 0.00 -1.22 -4.49 105.19 107.31 1wm4 n GLY 67 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1wm4 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wm4 n ASP 68 N 0.00 0.00 -0.51 1.61 9.92 -1.26 -4.88 116.55 121.42 1wm4 n ASP 68 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1wm4 n ASP 68 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wm4 n ALA 69 N 0.61 0.00 -3.72 2.24 0.00 -1.26 -4.21 120.51 114.17 1wm4 n ALA 69 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1wm4 n ALA 69 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1wm4 n ALA 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wm4 s MET 70 N 0.00 0.26 0.00 0.00 1.75 -1.26 -4.77 119.30 115.28 1wm4 s MET 70 Ca 0.00 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.66 1wm4 s MET 70 Cb 0.00 -0.69 0.00 0.00 2.84 0.00 0.00 34.83 36.98 1wm4 s MET 70 CO 0.00 -0.28 0.00 0.45 -0.65 0.00 0.00 175.02 174.54 1wm4 n SER 71 N 5.02 -0.73 -3.01 1.11 2.88 -1.26 -4.70 113.62 112.93 1wm4 n SER 71 Ca -0.09 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.30 1wm4 n SER 71 Cb 0.50 -2.60 0.01 0.00 -0.75 0.00 0.00 64.21 61.36 1wm4 n SER 71 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wm4 n LYS 72 N -1.64 0.92 -0.28 -1.46 5.02 -1.26 -4.99 118.16 114.47 1wm4 n LYS 72 Ca 0.00 -2.75 -0.04 0.00 -2.02 0.00 0.00 58.31 53.50 1wm4 n LYS 72 Cb 0.06 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1wm4 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wm4 h ARG 73 N 3.30 -0.10 -6.58 1.97 3.08 -1.84 -3.40 114.38 110.81 1wm4 h ARG 73 Ca 0.01 0.01 -0.50 0.00 0.07 0.00 0.00 59.98 59.57 1wm4 h ARG 73 Cb 1.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1wm4 h ARG 73 CO 0.37 -0.06 -0.11 0.45 -1.07 0.00 0.00 179.97 179.55 1wm4 s SER 74 N -5.25 6.38 0.22 7.04 0.15 -1.26 -2.20 113.70 118.77 1wm4 s SER 74 Ca -0.14 0.69 0.06 0.00 0.70 0.00 0.00 55.95 57.25 1wm4 s SER 74 Cb 0.17 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1wm4 s SER 74 CO 0.70 -0.29 0.21 -0.54 1.20 0.00 0.00 173.24 174.51 1wm4 s LYS 75 N -3.97 3.02 -0.10 5.44 -0.14 0.79 -4.74 119.74 120.05 1wm4 s LYS 75 Ca 0.44 -0.93 -0.01 0.00 -1.36 0.00 0.00 55.97 54.11 1wm4 s LYS 75 Cb -0.10 -2.66 0.03 0.00 -1.68 0.00 0.00 37.83 33.42 1wm4 s LYS 75 CO 0.34 0.44 -0.02 -0.06 -0.76 0.00 0.00 175.35 175.29 1wm4 s PHE 76 N -1.97 0.97 0.08 3.18 0.08 -1.26 -0.69 117.98 118.37 1wm4 s PHE 76 Ca 0.33 -0.42 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 1wm4 s PHE 76 Cb -0.09 -0.96 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 1wm4 s PHE 76 CO 0.25 -0.42 0.14 0.00 -0.10 0.00 0.00 175.22 175.10 1wm4 s ALA 77 N 1.88 -0.03 0.20 5.36 0.00 -1.26 0.24 121.76 128.15 1wm4 s ALA 77 Ca 0.04 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1wm4 s ALA 77 Cb -0.13 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1wm4 s ALA 77 CO -0.06 -0.48 0.16 -1.17 0.00 0.00 0.00 175.76 174.20 1wm4 s LEU 78 N -2.88 3.79 -0.02 0.00 0.20 -0.78 -3.63 118.68 115.36 1wm4 s LEU 78 Ca 0.06 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 54.70 1wm4 s LEU 78 Cb 0.06 -2.36 0.01 0.00 -0.43 0.00 0.00 46.19 43.46 1wm4 s LEU 78 CO -0.10 0.02 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.30 1wm4 s ILE 79 N -1.92 0.48 -0.31 6.68 1.01 0.63 -0.25 121.20 127.51 1wm4 s ILE 79 Ca 0.32 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 1wm4 s ILE 79 Cb -0.09 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1wm4 s ILE 79 CO 0.24 0.17 0.39 -0.89 0.00 0.00 0.00 174.94 174.85 1wm4 s THR 80 N 0.26 5.14 -0.41 2.92 2.01 -0.21 0.13 115.64 125.49 1wm4 s THR 80 Ca -0.03 0.31 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 1wm4 s THR 80 Cb -0.07 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1wm4 s THR 80 CO -0.00 -0.01 0.49 0.86 -0.69 0.00 0.00 174.62 175.26 1wm4 s TRP 81 N 2.11 3.15 -0.52 4.92 -0.11 1.04 -2.08 118.94 127.45 1wm4 s TRP 81 Ca 0.14 -0.19 0.01 0.00 1.22 0.00 0.00 56.10 57.28 1wm4 s TRP 81 Cb -0.16 -2.98 0.13 0.00 -1.50 0.00 0.00 33.47 28.97 1wm4 s TRP 81 CO 0.11 -0.69 0.29 0.42 -4.62 0.00 0.00 176.95 172.46 1wm4 s ILE 82 N 2.32 3.04 0.99 5.86 -1.09 -1.25 0.86 121.20 131.93 1wm4 s ILE 82 Ca 0.15 -2.91 -0.17 0.00 -2.23 0.00 0.00 60.65 55.49 1wm4 s ILE 82 Cb -0.16 -3.07 -0.10 0.00 -1.58 0.00 0.00 42.46 37.55 1wm4 s ILE 82 CO 0.15 -0.79 -0.57 0.61 -1.23 0.00 0.00 174.94 173.11 1wm4 n GLY 83 N 3.58 -3.71 0.09 6.18 0.00 -0.53 -4.80 105.19 106.01 1wm4 n GLY 83 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.20 0.00 -1.66 1.61 5.08 -1.63 -3.36 114.58 113.43 1wm4 h GLU 84 Ca -0.44 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.22 1wm4 h GLU 84 Cb 1.31 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.25 1wm4 h GLU 84 CO 0.26 0.42 0.59 -0.25 -1.00 0.00 0.00 179.01 179.03 1wm4 n ASP 85 N -3.00 6.89 -4.95 1.42 9.92 -1.13 -5.00 116.55 120.71 1wm4 n ASP 85 Ca -0.11 -3.80 -0.19 0.00 -0.53 0.00 0.00 54.79 50.15 1wm4 n ASP 85 Cb 0.91 -0.90 -0.01 0.00 -0.64 0.00 0.00 41.12 40.48 1wm4 n ASP 85 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1wm4 s VAL 86 N -5.09 3.66 0.08 2.53 -7.23 -1.26 -4.93 120.40 108.16 1wm4 s VAL 86 Ca 0.54 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1wm4 s VAL 86 Cb 0.44 -3.26 0.02 0.00 0.56 0.00 0.00 36.38 34.14 1wm4 s VAL 86 CO -0.28 -0.13 0.11 -0.24 -0.31 0.00 0.00 175.10 174.26 1wm4 n SER 87 N -1.59 0.08 0.11 4.85 2.88 -1.26 -4.98 113.62 113.71 1wm4 n SER 87 Ca 0.01 -1.08 0.12 0.00 -1.33 0.00 0.00 58.87 56.59 1wm4 n SER 87 Cb 0.59 -0.08 0.22 0.00 -0.75 0.00 0.00 64.21 64.19 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wm4 h GLY 88 N -0.10 0.00 -0.40 0.46 0.00 -2.01 -3.34 103.07 97.67 1wm4 h GLY 88 Ca -0.04 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.57 1wm4 h GLY 88 CO 0.03 0.00 0.48 1.41 0.00 0.00 0.00 176.54 178.46 1wm4 h LEU 89 N 0.00 0.40 -1.16 3.11 3.38 -2.01 1.40 115.31 120.44 1wm4 h LEU 89 Ca 0.00 0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1wm4 h LEU 89 Cb 0.83 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1wm4 h LEU 89 CO 0.00 -0.08 -0.41 0.06 0.09 0.00 0.00 178.44 178.10 1wm4 h GLN 90 N 0.35 0.00 0.34 1.13 -0.00 -1.97 -0.85 115.11 114.12 1wm4 h GLN 90 Ca 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.30 1wm4 h GLN 90 Cb 1.40 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.85 1wm4 h GLN 90 CO -0.59 0.41 -0.48 -0.09 -0.00 0.00 0.00 178.83 178.08 1wm4 h ARG 91 N 0.00 -0.83 0.08 0.06 1.12 0.17 0.44 114.38 115.42 1wm4 h ARG 91 Ca -0.00 0.06 -0.22 0.00 -1.11 0.00 0.00 59.98 58.70 1wm4 h ARG 91 Cb 0.75 0.19 0.02 0.00 -0.01 0.00 0.00 29.97 30.92 1wm4 h ARG 91 CO 0.05 -0.55 -0.91 0.00 -3.11 0.00 0.00 179.97 175.45 1wm4 h ALA 92 N -0.84 0.00 0.58 2.80 0.00 -1.55 -3.06 119.26 117.20 1wm4 h ALA 92 Ca -0.04 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1wm4 h ALA 92 Cb 0.78 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wm4 h ALA 92 CO -0.13 0.49 -0.28 0.87 0.00 0.00 0.00 179.25 180.20 1wm4 h LYS 93 N -0.01 -0.76 -0.69 0.00 1.57 -1.12 -2.93 116.57 112.62 1wm4 h LYS 93 Ca -0.14 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1wm4 h LYS 93 Cb 1.63 0.17 -0.13 0.00 0.08 0.00 0.00 32.23 33.98 1wm4 h LYS 93 CO 0.17 -0.50 -0.24 1.15 -0.57 0.00 0.00 179.45 179.46 1wm4 h THR 94 N -0.85 0.22 -0.31 -0.16 2.02 -0.28 0.26 112.91 113.82 1wm4 h THR 94 Ca -0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1wm4 h THR 94 Cb 0.60 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1wm4 h THR 94 CO 0.13 0.00 -0.26 1.23 0.37 0.00 0.00 175.52 176.99 1wm4 h GLY 95 N -0.06 -1.69 0.83 2.16 0.00 -1.48 2.07 103.07 104.90 1wm4 h GLY 95 Ca 0.31 0.88 -0.00 0.00 0.00 0.00 0.00 47.33 48.52 1wm4 h GLY 95 CO -0.74 -0.50 0.01 -0.84 0.00 0.00 0.00 176.54 174.48 1wm4 h THR 96 N -0.10 1.15 -0.48 4.70 2.02 -1.20 -3.00 112.91 116.02 1wm4 h THR 96 Ca 0.05 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.64 1wm4 h THR 96 Cb 0.23 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1wm4 h THR 96 CO -0.34 0.13 -0.22 0.44 0.37 0.00 0.00 175.52 175.89 1wm4 h ASP 97 N -0.12 1.01 0.03 4.18 3.32 -0.53 -2.56 116.42 121.75 1wm4 h ASP 97 Ca 0.01 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1wm4 h ASP 97 Cb 0.19 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1wm4 h ASP 97 CO -0.00 1.18 -0.01 0.07 -1.72 0.00 0.00 179.24 178.77 1wm4 h LYS 98 N 0.85 0.00 0.00 3.56 5.09 0.33 0.27 116.57 126.67 1wm4 h LYS 98 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.84 1wm4 h LYS 98 Cb 0.80 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.13 1wm4 h LYS 98 CO 0.07 0.01 -0.38 1.15 -2.09 0.00 0.00 179.45 178.21 1wm4 h THR 99 N 0.00 0.07 0.02 0.07 2.02 -1.31 -3.02 112.91 110.77 1wm4 h THR 99 Ca -0.00 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1wm4 h THR 99 Cb 0.02 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1wm4 h THR 99 CO 0.00 0.04 -0.01 -0.07 0.37 0.00 0.00 175.52 175.85 1wm4 h LEU 100 N 0.00 -0.02 -2.08 2.58 3.38 -0.24 -2.90 115.31 116.03 1wm4 h LEU 100 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1wm4 h LEU 100 Cb 1.04 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1wm4 h LEU 100 CO 0.01 0.41 0.24 1.62 0.09 0.00 0.00 178.44 180.81 1wm4 h VAL 101 N -0.89 0.69 -0.26 1.22 3.04 -1.51 -0.68 116.25 117.86 1wm4 h VAL 101 Ca -0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.50 1wm4 h VAL 101 Cb 0.02 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1wm4 h VAL 101 CO 0.00 0.00 -0.58 0.50 -1.01 0.00 0.00 177.57 176.49 1wm4 h LYS 102 N 0.00 0.84 -0.06 4.17 3.64 -1.62 -3.09 116.57 120.45 1wm4 h LYS 102 Ca 0.14 -0.55 -0.11 0.00 -1.27 0.00 0.00 60.65 58.86 1wm4 h LYS 102 Cb 0.62 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1wm4 h LYS 102 CO -0.00 1.18 -0.47 0.93 -2.27 0.00 0.00 179.45 178.82 1wm4 h GLU 103 N 0.64 0.13 -1.10 1.90 5.08 -0.92 -2.99 114.58 117.32 1wm4 h GLU 103 Ca 0.01 -0.07 -0.54 0.00 -1.00 0.00 0.00 59.36 57.76 1wm4 h GLU 103 Cb 1.18 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.18 1wm4 h GLU 103 CO 0.13 0.58 0.70 0.28 -1.00 0.00 0.00 179.01 179.69 1wm4 n VAL 104 N -3.98 3.25 -3.22 3.13 0.31 -0.87 -4.63 118.33 112.32 1wm4 n VAL 104 Ca -0.02 -2.29 -0.27 0.00 -0.01 0.00 0.00 64.34 61.75 1wm4 n VAL 104 Cb 0.50 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.37 1wm4 n VAL 104 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1wm4 n VAL 105 N -0.68 2.73 -0.98 2.52 3.14 -1.13 -4.87 118.33 119.06 1wm4 n VAL 105 Ca 0.53 -5.39 -0.17 0.00 -2.96 0.00 0.00 64.34 56.36 1wm4 n VAL 105 Cb 0.91 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.87 1wm4 n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wm4 n GLN 106 N 0.41 1.85 0.00 1.45 0.00 -1.26 -3.79 117.38 116.05 1wm4 n GLN 106 Ca 0.30 -1.52 0.00 0.00 0.00 0.00 0.00 57.00 55.78 1wm4 n GLN 106 Cb 0.40 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 28.96 1wm4 n GLN 106 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1wm4 n ASN 107 N 0.71 0.90 -2.90 2.61 4.13 -1.26 -5.09 115.26 114.36 1wm4 n ASN 107 Ca 0.31 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.57 1wm4 n ASN 107 Cb 0.58 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.91 1wm4 n ASN 107 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1wm4 n PHE 108 N -0.87 -1.72 0.00 3.10 -1.74 -1.25 -4.90 117.46 110.08 1wm4 n PHE 108 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1wm4 n PHE 108 Cb 0.09 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.09 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 -3.00 1.22 -3.53 1.98 0.00 0.65 -4.90 120.51 112.93 1wm4 n ALA 109 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1wm4 n ALA 109 Cb 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.22 0.96 0.06 0.00 2.20 -1.17 -5.02 119.74 115.55 1wm4 s LYS 110 Ca 0.00 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 1wm4 s LYS 110 Cb 0.00 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1wm4 s LYS 110 CO 0.00 -0.31 0.09 -1.83 -0.36 0.00 0.00 175.35 172.94 1wm4 s GLU 111 N -1.32 2.96 0.07 4.03 -1.05 -1.26 -1.86 118.70 120.27 1wm4 s GLU 111 Ca -0.08 -0.63 0.02 0.00 -0.15 0.00 0.00 54.97 54.13 1wm4 s GLU 111 Cb -0.00 -2.78 -0.03 0.00 -0.44 0.00 0.00 34.13 30.88 1wm4 s GLU 111 CO 0.07 0.58 -0.08 -0.06 0.95 0.00 0.00 175.26 176.73 1wm4 s PHE 112 N -1.37 0.78 -0.04 4.83 0.08 0.65 -4.88 117.98 118.03 1wm4 s PHE 112 Ca 0.29 -0.66 0.07 0.00 0.12 0.00 0.00 56.93 56.74 1wm4 s PHE 112 Cb -0.12 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 1wm4 s PHE 112 CO 0.21 -0.10 -0.24 0.54 -0.10 0.00 0.00 175.22 175.52 1wm4 s VAL 113 N -2.27 1.96 0.20 -0.44 0.11 -1.26 -1.05 120.40 117.65 1wm4 s VAL 113 Ca -0.01 -1.04 0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1wm4 s VAL 113 Cb -0.04 -1.64 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 1wm4 s VAL 113 CO -0.02 0.55 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.54 1wm4 s ILE 114 N -0.36 1.68 0.00 7.04 -1.09 -0.89 -4.85 121.20 122.72 1wm4 s ILE 114 Ca 0.03 -2.20 0.00 0.00 -2.23 0.00 0.00 60.65 56.26 1wm4 s ILE 114 Cb -0.11 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 1wm4 s ILE 114 CO 0.01 -0.60 0.27 -0.24 -1.23 0.00 0.00 174.94 173.15 1wm4 n SER 115 N -0.37 0.00 -3.87 3.58 2.88 -1.26 -3.88 113.62 110.71 1wm4 n SER 115 Ca -0.08 -1.00 -0.10 0.00 -1.33 0.00 0.00 58.87 56.36 1wm4 n SER 115 Cb 0.60 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.98 1wm4 n SER 115 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wm4 s ASP 116 N 0.00 0.07 0.19 -3.46 1.01 -1.26 -4.82 116.67 108.40 1wm4 s ASP 116 Ca 0.00 -0.43 0.07 0.00 0.71 0.00 0.00 52.55 52.90 1wm4 s ASP 116 Cb 0.00 0.28 0.06 0.00 1.01 0.00 0.00 42.92 44.27 1wm4 s ASP 116 CO 0.00 -0.56 1.43 -0.09 0.21 0.00 0.00 175.17 176.16 1wm4 h ARG 117 N 3.44 0.07 0.00 8.23 2.43 -1.99 -2.94 114.38 123.62 1wm4 h ARG 117 Ca -0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1wm4 h ARG 117 Cb 1.19 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1wm4 h ARG 117 CO 0.49 0.85 0.00 1.17 -1.51 0.00 0.00 179.97 180.97 1wm4 n LYS 118 N -3.61 0.18 -0.05 0.20 4.81 -1.26 -2.64 118.16 115.79 1wm4 n LYS 118 Ca -0.02 0.07 0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1wm4 n LYS 118 Cb 0.78 -1.50 0.45 0.00 0.02 0.00 0.00 35.03 34.78 1wm4 n LYS 118 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1wm4 n GLU 119 N -1.39 1.49 0.00 1.64 -0.58 -1.11 -3.31 120.64 117.39 1wm4 n GLU 119 Ca 0.09 -0.73 0.12 0.00 -0.42 0.00 0.00 57.16 56.22 1wm4 n GLU 119 Cb 0.23 -1.37 0.14 0.00 -0.57 0.00 0.00 31.44 29.87 1wm4 n GLU 119 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1wm4 n LEU 120 N -0.05 2.77 -4.59 -4.62 7.94 -1.08 -4.60 117.00 112.76 1wm4 n LEU 120 Ca 0.16 -0.93 -0.41 0.00 -1.11 0.00 0.00 56.01 53.72 1wm4 n LEU 120 Cb 0.25 -0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.21 1wm4 n LEU 120 CO 0.13 0.46 0.52 -0.62 -1.11 0.00 0.00 177.39 176.77 1wm4 n GLU 121 N 1.13 1.22 -0.02 1.96 -0.58 -1.21 -4.72 120.64 118.43 1wm4 n GLU 121 Ca 0.14 0.44 -0.11 0.00 -0.42 0.00 0.00 57.16 57.21 1wm4 n GLU 121 Cb 0.56 -1.99 -0.05 0.00 -0.57 0.00 0.00 31.44 29.39 1wm4 n GLU 121 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1wm4 h GLU 122 N 1.37 0.18 -0.02 3.49 4.11 -1.94 -0.76 114.58 121.02 1wm4 h GLU 122 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1wm4 h GLU 122 Cb 1.35 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1wm4 h GLU 122 CO 0.56 0.19 0.19 -0.44 0.07 0.00 0.00 179.01 179.58 1wm4 h ASP 123 N 0.12 0.00 0.00 3.06 3.32 -1.97 1.58 116.42 122.53 1wm4 h ASP 123 Ca 0.05 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1wm4 h ASP 123 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1wm4 h ASP 123 CO -0.01 0.00 -0.82 0.15 -1.72 0.00 0.00 179.24 176.84 1wm4 h PHE 124 N 0.00 0.00 0.00 4.55 3.57 -1.56 -3.13 116.94 120.37 1wm4 h PHE 124 Ca 0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1wm4 h PHE 124 Cb 0.39 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1wm4 h PHE 124 CO 0.00 1.24 -0.39 0.82 -2.23 0.00 0.00 178.31 177.76 1wm4 h ILE 125 N -1.00 0.84 0.10 1.41 1.08 -0.41 -2.82 117.51 116.71 1wm4 h ILE 125 Ca -0.22 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1wm4 h ILE 125 Cb 1.15 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1wm4 h ILE 125 CO -0.13 0.38 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.57 1wm4 h ARG 126 N 0.00 -0.13 0.00 2.37 2.43 0.21 -2.72 114.38 116.54 1wm4 h ARG 126 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wm4 h ARG 126 Cb 0.98 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1wm4 h ARG 126 CO 0.05 0.30 0.00 1.03 -1.51 0.00 0.00 179.97 179.84 1wm4 h SER 127 N -0.61 0.00 -0.14 -3.80 0.87 -1.55 -2.03 113.55 106.29 1wm4 h SER 127 Ca -0.01 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 1wm4 h SER 127 Cb 0.49 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1wm4 h SER 127 CO 0.02 0.00 -0.58 -0.33 -0.53 0.00 0.00 176.83 175.41 1wm4 h GLU 128 N 0.00 0.65 0.04 2.24 4.39 -1.22 -2.81 114.58 117.87 1wm4 h GLU 128 Ca 0.00 -0.51 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 1wm4 h GLU 128 Cb 0.17 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1wm4 h GLU 128 CO 0.00 1.13 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.89 1wm4 h LEU 129 N 0.31 -0.04 -1.22 1.33 3.38 -1.14 -2.91 115.31 115.01 1wm4 h LEU 129 Ca -0.03 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1wm4 h LEU 129 Cb 1.22 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1wm4 h LEU 129 CO 0.12 0.59 0.24 0.11 0.09 0.00 0.00 178.44 179.59 1wm4 h LYS 130 N -0.71 0.00 0.04 1.13 6.56 -1.50 -2.66 116.57 119.42 1wm4 h LYS 130 Ca -0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1wm4 h LYS 130 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1wm4 h LYS 130 CO 0.01 0.00 -0.02 -0.22 -2.06 0.00 0.00 179.45 177.16 1wm4 h LYS 131 N 0.00 -0.05 -5.15 3.15 3.64 -1.29 -3.37 116.57 113.50 1wm4 h LYS 131 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.87 1wm4 h LYS 131 Cb 0.48 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1wm4 h LYS 131 CO 0.00 -0.04 1.80 0.00 -2.27 0.00 0.00 179.45 178.95 1wm4 n ALA 132 N -2.12 2.88 -3.04 5.00 0.00 -1.00 -4.87 120.51 117.36 1wm4 n ALA 132 Ca -0.01 -3.34 -0.44 0.00 0.00 0.00 0.00 53.44 49.65 1wm4 n ALA 132 Cb 0.02 -3.55 -0.03 0.00 0.00 0.00 0.00 19.45 15.89 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 5.35 1.91 0.00 0.00 0.00 -1.26 -4.93 107.32 108.39 1wm4 s GLY 133 Ca 0.61 -2.54 0.00 0.00 0.00 0.00 0.00 44.72 42.79 1wm4 s GLY 133 CO 0.10 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.57 1wm4 n GLY 134 N 5.16 3.37 0.69 0.20 0.00 -1.26 -3.01 105.19 110.34 1wm4 n GLY 134 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 11.68 2.13 -0.03 4.61 0.00 -1.26 -4.87 120.51 132.76 1wm4 n ALA 135 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 53.44 52.38 1wm4 n ALA 135 Cb 0.00 -0.46 0.33 0.00 0.00 0.00 0.00 19.45 19.32 1wm4 n ALA 135 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wm4 h ASN 136 N 0.17 0.55 -0.03 0.00 4.21 -1.94 0.22 115.58 118.76 1wm4 h ASN 136 Ca -0.06 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.39 1wm4 h ASN 136 Cb 1.43 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1wm4 h ASN 136 CO 0.01 0.50 0.00 0.00 -1.29 0.00 0.00 177.43 176.64 1wm4 n TYR 137 N -4.37 0.04 -0.04 1.19 9.36 -1.26 -2.93 117.16 119.14 1wm4 n TYR 137 Ca 0.03 -0.02 -0.17 0.00 3.32 0.00 0.00 57.90 61.06 1wm4 n TYR 137 Cb 0.14 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.72 1wm4 n TYR 137 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1wm4 n ASP 138 N -0.47 1.64 -1.35 2.98 -0.08 0.05 -4.17 116.55 115.16 1wm4 n ASP 138 Ca 0.18 0.15 0.11 0.00 -1.51 0.00 0.00 54.79 53.73 1wm4 n ASP 138 Cb 0.18 -0.42 0.32 0.00 2.34 0.00 0.00 41.12 43.54 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wm4 n ALA 139 N -2.95 2.43 -3.27 -1.67 0.00 -1.12 -4.82 120.51 109.12 1wm4 n ALA 139 Ca -0.32 -1.33 -0.04 0.00 0.00 0.00 0.00 53.44 51.75 1wm4 n ALA 139 Cb 1.05 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 1wm4 n ALA 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wm4 s GLN 140 N -1.08 0.44 0.00 0.00 2.00 -1.15 -5.11 119.66 114.76 1wm4 s GLN 140 Ca 0.48 0.72 0.00 0.00 -2.00 0.00 0.00 55.36 54.56 1wm4 s GLN 140 Cb 0.26 -0.05 0.00 0.00 0.80 0.00 0.00 33.01 34.02 1wm4 s GLN 140 CO 0.32 -0.65 0.00 -1.13 -0.50 0.00 0.00 175.29 173.33 1wm4 n SER 141 N 5.39 0.00 0.00 6.67 3.41 -1.26 -4.41 113.62 123.42 1wm4 n SER 141 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1wm4 n SER 141 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1wm4 n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26