#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 2.34 -2.69 3.17 0.00 -1.26 -4.73 120.51 117.34 1wm4 n ALA 2 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1wm4 n ALA 2 Cb 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 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 -2.56 5.27 -0.08 0.00 2.01 -1.26 -4.92 115.64 114.10 1wm4 s THR 3 Ca 0.26 0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.80 1wm4 s THR 3 Cb 0.18 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 69.11 1wm4 s THR 3 CO 0.41 0.48 0.02 -0.54 -0.69 0.00 0.00 174.62 174.31 1wm4 s LYS 4 N -0.24 0.42 -0.05 4.92 -0.14 -1.26 -5.10 119.74 118.30 1wm4 s LYS 4 Ca 0.18 0.12 -0.00 0.00 -1.36 0.00 0.00 55.97 54.91 1wm4 s LYS 4 Cb -0.14 -1.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.97 1wm4 s LYS 4 CO 0.06 -0.36 0.01 -1.50 -0.76 0.00 0.00 175.35 172.80 1wm4 s ILE 5 N 2.02 4.29 -0.38 2.17 2.07 -1.26 -1.83 121.20 128.27 1wm4 s ILE 5 Ca 0.04 -0.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.86 1wm4 s ILE 5 Cb -0.13 -2.86 0.15 0.00 0.13 0.00 0.00 42.46 39.75 1wm4 s ILE 5 CO -0.05 0.49 2.38 0.47 -1.91 0.00 0.00 174.94 176.32 1wm4 n ASP 6 N 1.77 6.50 -0.63 4.50 9.92 -0.98 -4.67 116.55 132.95 1wm4 n ASP 6 Ca -0.17 -3.14 0.48 0.00 -0.53 0.00 0.00 54.79 51.43 1wm4 n ASP 6 Cb 0.53 -1.14 0.75 0.00 -0.64 0.00 0.00 41.12 40.62 1wm4 n ASP 6 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1wm4 n LYS 7 N 0.57 -0.01 -0.01 -1.24 0.00 -1.26 0.11 118.16 116.32 1wm4 n LYS 7 Ca 0.40 1.05 -0.09 0.00 0.00 0.00 0.00 58.31 59.67 1wm4 n LYS 7 Cb 0.57 -2.35 -0.03 0.00 0.00 0.00 0.00 35.03 33.23 1wm4 n LYS 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1wm4 h GLU 8 N 0.00 -0.12 0.05 1.64 5.08 -2.00 -0.54 114.58 118.69 1wm4 h GLU 8 Ca 0.88 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 59.24 1wm4 h GLU 8 Cb 3.40 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 32.68 1wm4 h GLU 8 CO -0.09 -0.08 -0.03 0.00 -1.00 0.00 0.00 179.01 177.81 1wm4 h ALA 9 N 0.99 -0.92 -0.57 3.43 0.00 -0.73 -2.01 119.26 119.44 1wm4 h ALA 9 Ca 0.10 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1wm4 h ALA 9 Cb 0.27 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1wm4 h ALA 9 CO -0.23 -0.92 -0.49 0.00 0.00 0.00 0.00 179.25 177.61 1wm4 h ARG 11 N -0.26 -0.28 -0.46 0.00 2.43 -1.09 2.06 114.38 116.78 1wm4 h ARG 11 Ca 0.15 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1wm4 h ARG 11 Cb 0.56 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1wm4 h ARG 11 CO -0.69 -0.19 0.21 0.00 -1.51 0.00 0.00 179.97 177.79 1wm4 h ALA 12 N 0.28 0.57 0.00 2.80 0.00 -0.52 -0.57 119.26 121.82 1wm4 h ALA 12 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wm4 h ALA 12 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wm4 h ALA 12 CO -0.67 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 178.43 1wm4 n ALA 13 N -2.33 2.15 -0.07 0.00 0.00 0.04 -2.29 120.51 118.02 1wm4 n ALA 13 Ca 0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1wm4 n ALA 13 Cb 0.13 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 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 0.48 -3.15 116.97 112.31 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 0.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1wm4 h TYR 14 CO 0.00 0.62 0.00 0.27 -0.00 0.00 0.00 178.16 179.05 1wm4 n ASN 15 N -4.66 0.71 -0.01 3.88 0.23 -0.85 -3.46 115.26 111.10 1wm4 n ASN 15 Ca -0.08 0.61 -0.12 0.00 -0.53 0.00 0.00 54.58 54.45 1wm4 n ASN 15 Cb 0.31 -0.78 -0.10 0.00 -2.08 0.00 0.00 39.78 37.13 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 -0.06 0.00 -4.53 6.46 -1.56 -2.89 115.31 112.74 1wm4 h LEU 16 Ca 0.00 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 1wm4 h LEU 16 Cb 0.58 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1wm4 h LEU 16 CO 0.00 0.58 0.05 0.55 -0.62 0.00 0.00 178.44 179.00 1wm4 n VAL 17 N -4.81 0.67 0.68 1.05 3.14 -1.19 0.14 118.33 118.02 1wm4 n VAL 17 Ca -0.09 0.22 0.13 0.00 -2.96 0.00 0.00 64.34 61.64 1wm4 n VAL 17 Cb 0.31 -1.22 0.37 0.00 -1.06 0.00 0.00 33.84 32.24 1wm4 n VAL 17 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1wm4 n ARG 18 N -1.10 0.22 0.00 1.45 0.63 -1.09 -4.57 116.66 112.20 1wm4 n ARG 18 Ca 0.00 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1wm4 n ARG 18 Cb 0.05 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.24 1wm4 n ARG 18 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1wm4 n ASP 19 N -2.09 0.00 -2.34 6.15 5.75 0.12 -4.74 116.55 119.40 1wm4 n ASP 19 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.54 1wm4 n ASP 19 Cb 0.42 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.54 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 7.05 -2.09 -1.12 5.75 -1.26 -4.77 116.55 120.11 1wm4 n ASP 20 Ca 0.00 -3.46 -0.06 0.00 -0.01 0.00 0.00 54.79 51.26 1wm4 n ASP 20 Cb 0.00 -1.07 0.03 0.00 -1.03 0.00 0.00 41.12 39.04 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wm4 n GLY 21 N -0.09 0.13 0.16 6.12 0.00 -1.26 -4.97 105.19 105.28 1wm4 n GLY 21 Ca 0.49 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.50 0.71 0.00 1.61 0.87 -1.87 -3.50 113.55 110.87 1wm4 h SER 22 Ca -0.23 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.56 1wm4 h SER 22 Cb 1.12 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1wm4 h SER 22 CO 0.17 1.40 0.00 0.00 -0.53 0.00 0.00 176.83 177.87 1wm4 n ALA 23 N -2.63 0.00 -3.95 6.23 0.00 -1.26 -5.03 120.51 113.87 1wm4 n ALA 23 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 1wm4 n ALA 23 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 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 5.87 -3.31 -0.40 0.00 0.31 -1.06 -4.65 118.33 115.09 1wm4 n VAL 24 Ca 0.00 -0.58 0.39 0.00 -0.01 0.00 0.00 64.34 64.14 1wm4 n VAL 24 Cb 0.00 -2.75 0.76 0.00 -0.91 0.00 0.00 33.84 30.94 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 -1.89 0.31 -2.46 2.52 2.10 0.15 -3.41 117.51 114.82 1wm4 h ILE 25 Ca -0.65 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.22 1wm4 h ILE 25 Cb 1.38 0.31 -0.19 0.00 -1.09 0.00 0.00 36.82 37.23 1wm4 h ILE 25 CO 0.60 0.00 0.02 -1.66 -1.08 0.00 0.00 178.15 176.03 1wm4 s TRP 26 N -4.91 -0.47 0.02 2.19 1.48 -1.24 -3.70 118.94 112.31 1wm4 s TRP 26 Ca -0.05 0.74 0.05 0.00 -1.06 0.00 0.00 56.10 55.78 1wm4 s TRP 26 Cb 0.23 0.30 -0.03 0.00 -1.16 0.00 0.00 33.47 32.81 1wm4 s TRP 26 CO 0.81 -0.55 -0.12 0.14 -4.06 0.00 0.00 176.95 173.18 1wm4 s VAL 27 N -1.48 3.27 -0.02 -0.66 -7.23 -1.24 0.11 120.40 113.15 1wm4 s VAL 27 Ca -0.11 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1wm4 s VAL 27 Cb -0.02 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.53 1wm4 s VAL 27 CO 0.06 0.36 -0.00 0.42 -0.31 0.00 0.00 175.10 175.62 1wm4 s THR 28 N -0.97 0.16 0.06 5.32 -4.23 -1.22 -3.47 115.64 111.27 1wm4 s THR 28 Ca 0.16 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.81 1wm4 s THR 28 Cb -0.11 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 1wm4 s THR 28 CO 0.07 0.11 -0.26 0.72 -0.54 0.00 0.00 174.62 174.72 1wm4 s PHE 29 N 0.72 2.29 -0.00 3.99 -0.71 -1.25 -1.84 117.98 121.18 1wm4 s PHE 29 Ca -0.07 -0.41 0.08 0.00 -1.04 0.00 0.00 56.93 55.49 1wm4 s PHE 29 Cb -0.10 -1.36 -0.02 0.00 -1.21 0.00 0.00 43.02 40.33 1wm4 s PHE 29 CO -0.01 0.15 -0.25 -0.98 -1.34 0.00 0.00 175.22 172.79 1wm4 s ARG 30 N -1.35 2.05 -0.97 1.99 1.70 -1.14 -3.84 118.95 117.39 1wm4 s ARG 30 Ca 0.12 -0.96 -0.27 0.00 -0.47 0.00 0.00 55.73 54.14 1wm4 s ARG 30 Cb -0.10 -2.05 -0.23 0.00 -0.57 0.00 0.00 34.95 32.00 1wm4 s ARG 30 CO 0.03 0.55 2.60 0.66 -1.08 0.00 0.00 175.30 178.06 1wm4 n TYR 31 N 2.23 0.53 -3.01 5.89 4.02 -1.26 -4.00 117.16 121.56 1wm4 n TYR 31 Ca -0.16 0.31 -0.44 0.00 -0.01 0.00 0.00 57.90 57.60 1wm4 n TYR 31 Cb 0.51 -2.12 -0.05 0.00 -0.02 0.00 0.00 39.34 37.66 1wm4 n TYR 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1wm4 s ASP 32 N 7.89 6.21 1.41 7.72 2.15 -0.40 -4.90 116.67 136.75 1wm4 s ASP 32 Ca 1.33 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1wm4 s ASP 32 Cb -1.13 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 39.14 1wm4 s ASP 32 CO 0.49 -1.18 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 1wm4 n GLY 33 N 5.25 2.94 1.34 2.66 0.00 -1.26 -0.24 105.19 115.89 1wm4 n GLY 33 Ca -0.06 0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 11.17 4.04 -3.49 4.61 0.00 -1.26 -4.94 120.51 130.65 1wm4 n ALA 34 Ca 0.00 -2.68 -0.13 0.00 0.00 0.00 0.00 53.44 50.64 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 -3.06 -0.03 -0.43 0.00 2.01 0.67 -4.31 115.64 110.49 1wm4 s THR 35 Ca 0.47 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.29 1wm4 s THR 35 Cb 0.40 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.58 1wm4 s THR 35 CO 0.07 0.04 1.05 -0.63 -0.69 0.00 0.00 174.62 174.45 1wm4 s ILE 36 N 0.81 4.38 0.06 1.82 1.09 -0.76 -1.27 121.20 127.33 1wm4 s ILE 36 Ca -0.06 1.22 0.02 0.00 -1.10 0.00 0.00 60.65 60.74 1wm4 s ILE 36 Cb -0.07 -4.49 -0.03 0.00 -1.06 0.00 0.00 42.46 36.81 1wm4 s ILE 36 CO -0.05 -0.80 -0.08 0.68 -0.10 0.00 0.00 174.94 174.59 1wm4 s VAL 37 N 4.00 0.63 0.20 2.92 -7.23 -1.26 -2.32 120.40 117.35 1wm4 s VAL 37 Ca 0.44 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 59.03 1wm4 s VAL 37 Cb -0.09 -0.92 -0.16 0.00 0.56 0.00 0.00 36.38 35.77 1wm4 s VAL 37 CO 0.25 -0.49 0.47 -2.65 -0.31 0.00 0.00 175.10 172.38 1wm4 n PRO 38 N 1.07 0.00 0.00 4.82 -0.02 -1.26 -2.91 135.00 136.70 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 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 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 1.94 0.00 2.67 -1.23 0.00 -0.77 -4.68 105.19 103.12 1wm4 n GLY 39 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.30 -0.78 -2.69 1.61 8.00 -0.88 -4.99 116.55 115.51 1wm4 n ASP 40 Ca 0.00 -2.71 -0.15 0.00 0.71 0.00 0.00 54.79 52.65 1wm4 n ASP 40 Cb 0.17 1.63 -0.05 0.00 -0.02 0.00 0.00 41.12 42.85 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 -0.50 0.36 -3.91 -1.24 0.00 -1.26 -3.46 117.38 107.37 1wm4 n GLN 41 Ca 0.04 -2.40 -0.29 0.00 0.00 0.00 0.00 57.00 54.35 1wm4 n GLN 41 Cb 0.49 1.85 -0.13 0.00 0.00 0.00 0.00 30.24 32.46 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 -2.69 2.78 -0.86 2.61 0.00 0.31 -4.79 107.32 104.67 1wm4 s GLY 42 Ca 0.26 -3.65 0.00 0.00 0.00 0.00 0.00 44.72 41.34 1wm4 s GLY 42 CO 0.19 1.06 1.69 0.00 0.00 0.00 0.00 173.10 176.04 1wm4 n ALA 43 N 2.38 5.91 0.00 3.20 0.00 -1.26 0.18 120.51 130.92 1wm4 n ALA 43 Ca 0.15 -4.47 0.00 0.00 0.00 0.00 0.00 53.44 49.12 1wm4 n ALA 43 Cb 0.34 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.26 0.00 -0.11 0.00 2.03 -1.26 -4.61 116.55 112.34 1wm4 n ASP 44 Ca 0.46 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.71 1wm4 n ASP 44 Cb 0.31 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.73 1wm4 n ASP 44 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1wm4 h TYR 45 N 0.00 0.26 -0.84 -0.67 3.20 -2.00 0.23 116.97 117.15 1wm4 h TYR 45 Ca 0.00 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.06 1wm4 h TYR 45 Cb 0.00 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 1wm4 h TYR 45 CO 0.00 0.11 0.55 1.96 -1.64 0.00 0.00 178.16 179.14 1wm4 h GLN 46 N 0.31 0.43 -0.61 1.82 1.08 -2.00 0.42 115.11 116.55 1wm4 h GLN 46 Ca 0.17 -0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.52 1wm4 h GLN 46 Cb 0.14 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1wm4 h GLN 46 CO -0.17 0.28 0.47 1.25 -0.95 0.00 0.00 178.83 179.72 1wm4 h HIS 47 N 0.44 0.00 -0.21 2.96 2.76 -1.20 0.55 115.15 120.45 1wm4 h HIS 47 Ca 0.42 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.47 1wm4 h HIS 47 Cb 0.98 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 1wm4 h HIS 47 CO -0.00 0.00 -0.39 0.27 -1.30 0.00 0.00 177.93 176.50 1wm4 h PHE 48 N 0.00 0.57 0.00 5.26 -5.15 -0.16 -1.79 116.94 115.66 1wm4 h PHE 48 Ca 0.29 -0.16 0.00 0.00 -0.20 0.00 0.00 57.97 57.90 1wm4 h PHE 48 Cb 1.23 -0.12 0.00 0.00 0.22 0.00 0.00 35.95 37.28 1wm4 h PHE 48 CO 0.00 0.81 0.00 -0.89 -2.00 0.00 0.00 178.31 176.23 1wm4 n ILE 49 N -4.03 0.63 -0.10 0.88 5.41 0.19 -2.82 119.36 119.52 1wm4 n ILE 49 Ca -0.02 -0.06 -0.19 0.00 1.00 0.00 0.00 62.75 63.48 1wm4 n ILE 49 Cb 0.50 -0.78 -0.11 0.00 -0.71 0.00 0.00 39.64 38.54 1wm4 n ILE 49 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1wm4 h GLN 50 N 0.00 0.00 -2.08 0.38 5.75 -0.70 -3.40 115.11 115.05 1wm4 h GLN 50 Ca 0.00 0.00 -0.71 0.00 -0.15 0.00 0.00 58.65 57.79 1wm4 h GLN 50 Cb 0.57 0.00 -0.33 0.00 1.07 0.00 0.00 27.48 28.79 1wm4 h GLN 50 CO 0.00 0.96 0.35 0.00 -2.65 0.00 0.00 178.83 177.49 1wm4 n GLN 51 N -4.48 3.95 -2.73 1.69 10.64 -0.74 -4.70 117.38 121.01 1wm4 n GLN 51 Ca -0.26 -4.42 -0.08 0.00 -1.83 0.00 0.00 57.00 50.41 1wm4 n GLN 51 Cb 0.62 -2.33 0.08 0.00 -0.86 0.00 0.00 30.24 27.75 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 0.34 4.84 -0.13 0.00 -4.23 -1.26 -4.88 115.64 110.32 1wm4 s THR 53 Ca 0.24 0.50 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 1wm4 s THR 53 Cb 0.27 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 70.41 1wm4 s THR 53 CO -0.11 -0.47 0.79 -0.90 -0.54 0.00 0.00 174.62 173.39 1wm4 n ASP 54 N -1.20 0.07 -1.94 3.99 5.75 -1.26 -0.14 116.55 121.81 1wm4 n ASP 54 Ca 0.01 0.25 -0.20 0.00 -0.01 0.00 0.00 54.79 54.84 1wm4 n ASP 54 Cb 0.54 -0.19 0.08 0.00 -1.03 0.00 0.00 41.12 40.52 1wm4 n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wm4 n ASP 55 N -1.43 5.34 -3.83 -1.12 -0.08 -1.26 -0.72 116.55 113.44 1wm4 n ASP 55 Ca -0.00 -3.21 -0.12 0.00 -1.51 0.00 0.00 54.79 49.95 1wm4 n ASP 55 Cb 0.41 -0.89 -0.11 0.00 2.34 0.00 0.00 41.12 42.88 1wm4 n ASP 55 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wm4 s VAL 56 N -2.73 0.04 -0.09 5.18 1.01 0.80 -5.00 120.40 119.61 1wm4 s VAL 56 Ca 0.41 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1wm4 s VAL 56 Cb 0.33 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.36 1wm4 s VAL 56 CO 0.03 -0.19 -0.06 -0.13 0.00 0.00 0.00 175.10 174.75 1wm4 s ARG 57 N -0.69 1.24 0.01 2.72 3.00 -1.26 -0.70 118.95 123.26 1wm4 s ARG 57 Ca -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 55.73 55.46 1wm4 s ARG 57 Cb -0.05 -1.31 0.01 0.00 0.00 0.00 0.00 34.95 33.61 1wm4 s ARG 57 CO 0.01 -0.20 0.11 1.47 0.00 0.00 0.00 175.30 176.69 1wm4 n LEU 58 N 4.68 0.00 -4.46 2.53 -0.00 0.26 -4.52 117.00 115.49 1wm4 n LEU 58 Ca -0.15 -0.09 -0.27 0.00 -0.00 0.00 0.00 56.01 55.50 1wm4 n LEU 58 Cb 0.50 0.22 -0.11 0.00 -0.00 0.00 0.00 43.42 44.03 1wm4 n LEU 58 CO 0.17 -0.03 -0.50 -0.36 -0.00 0.00 0.00 177.39 176.67 1wm4 s PHE 59 N -4.28 2.40 0.07 1.47 0.40 -1.25 0.34 117.98 117.14 1wm4 s PHE 59 Ca 0.03 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1wm4 s PHE 59 Cb -0.00 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1wm4 s PHE 59 CO 0.00 0.48 -0.07 0.00 0.70 0.00 0.00 175.22 176.34 1wm4 s ALA 60 N -1.59 0.78 -0.27 5.36 0.00 0.08 -3.92 121.76 122.20 1wm4 s ALA 60 Ca 0.21 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1wm4 s ALA 60 Cb -0.08 0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.30 1wm4 s ALA 60 CO 0.11 -0.17 0.34 0.12 0.00 0.00 0.00 175.76 176.16 1wm4 s PHE 61 N -2.83 -0.71 0.19 0.00 5.36 -1.23 -0.19 117.98 118.58 1wm4 s PHE 61 Ca 0.03 0.26 0.11 0.00 -0.96 0.00 0.00 56.93 56.37 1wm4 s PHE 61 Cb -0.00 -0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.40 1wm4 s PHE 61 CO -0.03 -0.86 -0.20 0.54 -1.46 0.00 0.00 175.22 173.20 1wm4 s VAL 62 N 2.46 2.60 -0.03 3.12 0.11 -1.24 -3.64 120.40 123.78 1wm4 s VAL 62 Ca 0.10 -1.93 -0.25 0.00 -2.93 0.00 0.00 61.98 56.97 1wm4 s VAL 62 Cb -0.14 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.41 1wm4 s VAL 62 CO -0.26 -0.12 0.78 -0.60 -3.33 0.00 0.00 175.10 171.57 1wm4 s ARG 63 N -2.73 4.48 0.23 1.54 3.52 -1.24 -4.01 118.95 120.74 1wm4 s ARG 63 Ca 0.22 1.05 0.11 0.00 -0.13 0.00 0.00 55.73 56.98 1wm4 s ARG 63 Cb -0.08 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1wm4 s ARG 63 CO 0.11 0.07 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.44 1wm4 s PHE 64 N 0.71 2.40 -0.05 5.12 0.08 -0.55 -4.97 117.98 120.73 1wm4 s PHE 64 Ca 0.41 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 57.06 1wm4 s PHE 64 Cb -0.19 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1wm4 s PHE 64 CO 0.21 0.60 0.27 -0.08 -0.10 0.00 0.00 175.22 176.12 1wm4 s THR 65 N -2.07 5.29 -0.33 0.64 -1.32 -1.26 0.68 115.64 117.27 1wm4 s THR 65 Ca 0.26 0.43 -0.06 0.00 -1.21 0.00 0.00 61.69 61.11 1wm4 s THR 65 Cb -0.07 -3.55 0.03 0.00 -1.51 0.00 0.00 72.50 67.41 1wm4 s THR 65 CO 0.14 0.55 0.09 0.28 -2.21 0.00 0.00 174.62 173.47 1wm4 s THR 66 N -1.11 3.77 0.00 5.08 -1.32 -1.26 -4.78 115.64 116.02 1wm4 s THR 66 Ca 0.21 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1wm4 s THR 66 Cb -0.14 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.75 1wm4 s THR 66 CO 0.10 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1wm4 n GLY 67 N 4.81 0.20 0.00 6.08 0.00 -1.26 -3.71 105.19 111.31 1wm4 n GLY 67 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.77 0.00 -1.08 1.61 8.00 -1.26 -5.15 116.55 119.44 1wm4 n ASP 68 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1wm4 n ASP 68 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 n ALA 69 N 0.00 -1.63 0.01 2.24 0.00 -1.24 -4.33 120.51 115.56 1wm4 n ALA 69 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 1wm4 n ALA 69 Cb 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 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 0.00 0.00 0.00 0.00 4.05 -2.01 -3.45 114.93 113.52 1wm4 h MET 70 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1wm4 h MET 70 Cb 0.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1wm4 h MET 70 CO 0.00 0.45 -0.02 0.43 0.23 0.00 0.00 176.91 178.01 1wm4 n SER 71 N -3.02 0.11 0.00 1.39 7.64 -1.26 -5.11 113.62 113.37 1wm4 n SER 71 Ca -0.12 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wm4 n SER 71 Cb 0.94 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 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 -3.44 0.00 -1.05 1.43 4.76 -1.26 -5.00 118.16 113.60 1wm4 n LYS 72 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1wm4 n LYS 72 Cb 0.01 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 -0.54 -1.27 1.97 0.63 -1.26 -4.36 116.66 111.83 1wm4 n ARG 73 Ca 0.00 0.31 -0.38 0.00 -0.92 0.00 0.00 57.85 56.86 1wm4 n ARG 73 Cb 0.00 -3.84 0.02 0.00 0.45 0.00 0.00 32.46 29.09 1wm4 n ARG 73 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1wm4 n SER 74 N 0.08 -3.19 -4.56 6.15 3.41 -1.26 -4.41 113.62 109.84 1wm4 n SER 74 Ca -0.02 0.63 -0.34 0.00 -0.26 0.00 0.00 58.87 58.88 1wm4 n SER 74 Cb 0.16 -0.93 -0.11 0.00 -0.26 0.00 0.00 64.21 63.07 1wm4 n SER 74 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wm4 s LYS 75 N -1.43 3.70 -0.19 4.33 -2.85 0.21 -4.87 119.74 118.65 1wm4 s LYS 75 Ca 0.58 -0.46 -0.07 0.00 -1.00 0.00 0.00 55.97 55.02 1wm4 s LYS 75 Cb -0.45 -2.99 -0.04 0.00 -2.06 0.00 0.00 37.83 32.29 1wm4 s LYS 75 CO 0.65 0.30 0.06 -0.06 0.10 0.00 0.00 175.35 176.40 1wm4 s PHE 76 N 0.24 3.24 0.10 1.78 0.08 -1.26 -1.48 117.98 120.68 1wm4 s PHE 76 Ca -0.00 0.05 -0.06 0.00 0.12 0.00 0.00 56.93 57.03 1wm4 s PHE 76 Cb -0.13 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1wm4 s PHE 76 CO 0.02 0.12 0.14 0.00 -0.10 0.00 0.00 175.22 175.41 1wm4 s ALA 77 N 0.45 0.14 0.23 5.36 0.00 -1.26 0.36 121.76 127.05 1wm4 s ALA 77 Ca 0.03 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.16 1wm4 s ALA 77 Cb -0.13 0.58 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1wm4 s ALA 77 CO 0.01 -0.51 -0.13 -1.17 0.00 0.00 0.00 175.76 173.96 1wm4 s LEU 78 N -2.92 2.81 0.01 0.00 0.20 -0.48 -3.69 118.68 114.60 1wm4 s LEU 78 Ca 0.11 -0.79 0.01 0.00 0.69 0.00 0.00 54.13 54.15 1wm4 s LEU 78 Cb 0.06 -1.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.40 1wm4 s LEU 78 CO -0.06 0.06 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.39 1wm4 s ILE 79 N -2.09 0.29 -0.34 6.68 1.01 0.74 -0.14 121.20 127.34 1wm4 s ILE 79 Ca 0.27 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1wm4 s ILE 79 Cb -0.07 -0.30 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 1wm4 s ILE 79 CO 0.15 -0.10 0.23 -0.89 0.00 0.00 0.00 174.94 174.34 1wm4 s THR 80 N -0.53 5.15 -0.43 2.92 2.01 1.04 -0.74 115.64 125.07 1wm4 s THR 80 Ca -0.03 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 1wm4 s THR 80 Cb -0.04 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1wm4 s THR 80 CO -0.00 -0.03 0.60 0.86 -0.69 0.00 0.00 174.62 175.36 1wm4 s TRP 81 N 1.70 3.09 -0.55 4.92 -0.11 1.04 0.73 118.94 129.77 1wm4 s TRP 81 Ca 0.06 -0.09 -0.01 0.00 1.22 0.00 0.00 56.10 57.28 1wm4 s TRP 81 Cb -0.18 -3.23 0.14 0.00 -1.50 0.00 0.00 33.47 28.70 1wm4 s TRP 81 CO 0.10 -0.81 0.33 0.42 -4.62 0.00 0.00 176.95 172.37 1wm4 s ILE 82 N 2.66 3.28 0.99 5.86 -1.09 0.13 0.93 121.20 133.97 1wm4 s ILE 82 Ca 0.20 -2.87 -0.17 0.00 -2.23 0.00 0.00 60.65 55.59 1wm4 s ILE 82 Cb -0.15 -3.20 -0.11 0.00 -1.58 0.00 0.00 42.46 37.43 1wm4 s ILE 82 CO 0.17 -0.81 -0.59 0.61 -1.23 0.00 0.00 174.94 173.10 1wm4 n GLY 83 N 3.62 -3.90 0.13 6.18 0.00 0.12 -4.27 105.19 107.07 1wm4 n GLY 83 Ca 0.05 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.45 1wm4 n GLY 83 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wm4 h GLU 84 N -1.15 0.00 -1.11 1.61 4.81 -1.17 -3.33 114.58 114.23 1wm4 h GLU 84 Ca -0.44 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.12 1wm4 h GLU 84 Cb 1.31 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.38 1wm4 h GLU 84 CO 0.26 0.02 0.69 -0.25 -0.73 0.00 0.00 179.01 179.00 1wm4 n ASP 85 N -2.76 7.35 -4.96 1.04 9.92 -1.19 -4.98 116.55 120.97 1wm4 n ASP 85 Ca 0.00 -3.79 -0.22 0.00 -0.53 0.00 0.00 54.79 50.25 1wm4 n ASP 85 Cb 0.56 -0.91 -0.01 0.00 -0.64 0.00 0.00 41.12 40.12 1wm4 n ASP 85 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wm4 s VAL 86 N -4.85 4.71 0.00 2.53 1.01 -1.25 -4.96 120.40 117.58 1wm4 s VAL 86 Ca 0.62 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1wm4 s VAL 86 Cb 0.49 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1wm4 s VAL 86 CO -0.06 -0.37 0.00 -0.24 0.00 0.00 0.00 175.10 174.43 1wm4 n SER 87 N -1.71 0.00 0.14 3.32 2.88 -1.26 -4.99 113.62 112.00 1wm4 n SER 87 Ca -0.04 -0.25 0.12 0.00 -1.33 0.00 0.00 58.87 57.38 1wm4 n SER 87 Cb 0.57 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.20 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wm4 h GLY 88 N 0.00 0.00 -0.30 0.46 0.00 -2.01 -3.37 103.07 97.85 1wm4 h GLY 88 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1wm4 h GLY 88 CO 0.00 0.00 -0.51 1.41 0.00 0.00 0.00 176.54 177.44 1wm4 h LEU 89 N 0.00 -1.68 -1.92 3.11 3.38 -2.01 0.28 115.31 116.48 1wm4 h LEU 89 Ca 0.00 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1wm4 h LEU 89 Cb 0.91 0.68 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 1wm4 h LEU 89 CO 0.00 -0.39 0.26 1.56 0.09 0.00 0.00 178.44 179.96 1wm4 h GLN 90 N -0.42 0.09 0.08 1.13 1.08 -1.96 0.17 115.11 115.28 1wm4 h GLN 90 Ca 0.05 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1wm4 h GLN 90 Cb 0.57 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 1wm4 h GLN 90 CO -0.50 0.06 -0.41 -0.09 -0.95 0.00 0.00 178.83 176.93 1wm4 h ARG 91 N 0.09 -0.55 0.13 1.46 1.12 -0.61 0.36 114.38 116.37 1wm4 h ARG 91 Ca 0.17 0.04 -0.24 0.00 -1.11 0.00 0.00 59.98 58.85 1wm4 h ARG 91 Cb 0.58 0.13 0.01 0.00 -0.01 0.00 0.00 29.97 30.68 1wm4 h ARG 91 CO -0.02 -0.37 -1.13 0.00 -3.11 0.00 0.00 179.97 175.34 1wm4 h ALA 92 N -0.76 0.04 0.76 2.80 0.00 -1.36 -2.89 119.26 117.85 1wm4 h ALA 92 Ca -0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 1wm4 h ALA 92 Cb 0.58 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wm4 h ALA 92 CO -0.23 0.61 -0.45 0.87 0.00 0.00 0.00 179.25 180.05 1wm4 h LYS 93 N -0.33 -1.09 -0.94 0.00 1.57 -0.68 -2.63 116.57 112.48 1wm4 h LYS 93 Ca -0.23 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1wm4 h LYS 93 Cb 1.72 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 34.21 1wm4 h LYS 93 CO 0.11 -0.72 0.60 1.15 -0.57 0.00 0.00 179.45 180.01 1wm4 h THR 94 N -1.13 1.06 -0.63 -0.16 2.02 -0.40 -2.56 112.91 111.11 1wm4 h THR 94 Ca -0.10 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1wm4 h THR 94 Cb 0.90 -0.11 -0.10 0.00 -1.74 0.00 0.00 68.15 67.10 1wm4 h THR 94 CO 0.11 0.20 -0.56 1.23 0.37 0.00 0.00 175.52 176.88 1wm4 h GLY 95 N 1.08 -0.89 0.99 2.16 0.00 -1.25 0.58 103.07 105.74 1wm4 h GLY 95 Ca 0.41 0.73 -0.04 0.00 0.00 0.00 0.00 47.33 48.43 1wm4 h GLY 95 CO -0.17 -0.07 0.19 -0.91 0.00 0.00 0.00 176.54 175.58 1wm4 h THR 96 N -0.24 1.23 -0.40 4.70 1.35 -1.26 -3.12 112.91 115.16 1wm4 h THR 96 Ca 0.12 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 65.17 1wm4 h THR 96 Cb 0.53 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1wm4 h THR 96 CO -0.73 0.29 0.08 -0.78 -0.25 0.00 0.00 175.52 174.13 1wm4 h ASP 97 N 0.76 0.63 -0.28 5.36 3.58 -0.78 -2.09 116.42 123.60 1wm4 h ASP 97 Ca 0.18 -0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.46 1wm4 h ASP 97 Cb 0.26 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1wm4 h ASP 97 CO -0.01 0.72 0.28 0.07 -2.88 0.00 0.00 179.24 177.42 1wm4 h LYS 98 N 0.52 0.00 0.05 0.28 2.10 0.15 -0.97 116.57 118.69 1wm4 h LYS 98 Ca 0.12 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1wm4 h LYS 98 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1wm4 h LYS 98 CO 0.01 0.00 -0.02 1.15 -2.00 0.00 0.00 179.45 178.58 1wm4 h THR 99 N 0.00 1.24 0.70 0.07 2.02 -1.32 -2.24 112.91 113.38 1wm4 h THR 99 Ca 0.13 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1wm4 h THR 99 Cb 0.68 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1wm4 h THR 99 CO -0.00 0.24 -0.48 -0.07 0.37 0.00 0.00 175.52 175.58 1wm4 h LEU 100 N -0.49 -1.24 -0.05 2.58 4.07 -1.09 0.37 115.31 119.47 1wm4 h LEU 100 Ca -0.01 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1wm4 h LEU 100 Cb 0.44 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 1wm4 h LEU 100 CO 0.01 -0.71 -0.05 0.58 -1.08 0.00 0.00 178.44 177.19 1wm4 h VAL 101 N -1.12 0.00 -0.67 1.22 2.07 -1.46 0.57 116.25 116.86 1wm4 h VAL 101 Ca -0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.57 1wm4 h VAL 101 Cb 0.92 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 1wm4 h VAL 101 CO 0.06 0.00 0.02 0.50 0.02 0.00 0.00 177.57 178.17 1wm4 h LYS 102 N -0.03 0.13 -0.15 1.57 3.64 -1.37 0.40 116.57 120.76 1wm4 h LYS 102 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1wm4 h LYS 102 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1wm4 h LYS 102 CO -0.06 0.08 0.05 0.93 -2.27 0.00 0.00 179.45 178.19 1wm4 h GLU 103 N 0.13 0.20 -0.47 1.90 4.39 0.13 -2.27 114.58 118.59 1wm4 h GLU 103 Ca 0.36 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1wm4 h GLU 103 Cb 0.59 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1wm4 h GLU 103 CO -0.56 0.18 0.00 1.55 -1.16 0.00 0.00 179.01 179.02 1wm4 n VAL 104 N -4.47 1.56 -4.05 3.13 3.14 0.19 -4.93 118.33 112.90 1wm4 n VAL 104 Ca -0.01 -1.25 -0.35 0.00 -2.96 0.00 0.00 64.34 59.77 1wm4 n VAL 104 Cb 0.12 0.21 -0.13 0.00 -1.06 0.00 0.00 33.84 32.99 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 -1.67 3.97 0.00 1.55 0.11 0.11 -4.92 120.40 119.55 1wm4 s VAL 105 Ca 0.39 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1wm4 s VAL 105 Cb 0.25 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.30 1wm4 s VAL 105 CO 0.19 0.42 0.00 0.00 -3.33 0.00 0.00 175.10 172.39 1wm4 n GLN 106 N 4.28 2.64 0.00 1.54 3.00 -1.26 -4.72 117.38 122.86 1wm4 n GLN 106 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1wm4 n GLN 106 Cb 0.52 -0.84 0.00 0.00 0.00 0.00 0.00 30.24 29.92 1wm4 n GLN 106 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1wm4 n ASN 107 N -1.53 0.34 -4.04 1.08 2.85 -1.26 -4.59 115.26 108.11 1wm4 n ASN 107 Ca 0.00 -0.24 -0.08 0.00 -0.11 0.00 0.00 54.58 54.15 1wm4 n ASN 107 Cb 0.34 -0.06 -0.09 0.00 1.24 0.00 0.00 39.78 41.21 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1wm4 s PHE 108 N 0.74 0.47 -0.18 1.20 -0.71 -1.26 -4.69 117.98 113.55 1wm4 s PHE 108 Ca 0.00 -0.96 0.02 0.00 -1.04 0.00 0.00 56.93 54.94 1wm4 s PHE 108 Cb 0.00 -0.31 -0.22 0.00 -1.21 0.00 0.00 43.02 41.28 1wm4 s PHE 108 CO 0.00 -0.45 0.10 0.00 -1.34 0.00 0.00 175.22 173.53 1wm4 n ALA 109 N 0.03 1.25 -3.31 1.99 0.00 1.14 -4.91 120.51 116.71 1wm4 n ALA 109 Ca -0.13 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.28 1wm4 n ALA 109 Cb 0.62 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1wm4 n ALA 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wm4 s LYS 110 N -2.54 1.22 0.26 0.00 2.20 -1.24 -5.04 119.74 114.59 1wm4 s LYS 110 Ca -0.25 -0.52 0.07 0.00 -0.36 0.00 0.00 55.97 54.91 1wm4 s LYS 110 Cb 0.08 0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.92 1wm4 s LYS 110 CO 0.71 -0.52 0.24 -1.83 -0.36 0.00 0.00 175.35 173.59 1wm4 s GLU 111 N -3.72 3.00 0.03 4.03 -1.05 -1.26 -1.39 118.70 118.34 1wm4 s GLU 111 Ca 0.01 -1.02 0.01 0.00 -0.15 0.00 0.00 54.97 53.82 1wm4 s GLU 111 Cb -0.00 -2.62 -0.02 0.00 -0.44 0.00 0.00 34.13 31.05 1wm4 s GLU 111 CO -0.12 0.38 -0.05 -0.06 0.95 0.00 0.00 175.26 176.36 1wm4 s PHE 112 N -2.12 0.40 -0.22 4.83 0.08 0.80 -4.88 117.98 116.87 1wm4 s PHE 112 Ca 0.34 -0.50 -0.02 0.00 0.12 0.00 0.00 56.93 56.86 1wm4 s PHE 112 Cb -0.08 -0.26 0.01 0.00 -0.57 0.00 0.00 43.02 42.12 1wm4 s PHE 112 CO 0.26 -0.15 -0.08 0.08 -0.10 0.00 0.00 175.22 175.23 1wm4 s VAL 113 N -1.39 2.93 0.06 -0.44 1.01 -1.26 0.34 120.40 121.65 1wm4 s VAL 113 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1wm4 s VAL 113 Cb -0.10 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1wm4 s VAL 113 CO -0.00 0.39 -0.04 -0.63 0.00 0.00 0.00 175.10 174.81 1wm4 s ILE 114 N 1.39 0.37 0.00 2.22 1.01 0.22 -4.85 121.20 121.57 1wm4 s ILE 114 Ca 0.04 -1.73 0.00 0.00 0.00 0.00 0.00 60.65 58.96 1wm4 s ILE 114 Cb -0.15 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1wm4 s ILE 114 CO -0.06 -0.89 0.00 -0.24 0.00 0.00 0.00 174.94 173.75 1wm4 n SER 115 N 0.26 0.45 -4.86 3.58 2.88 -1.26 0.23 113.62 114.90 1wm4 n SER 115 Ca -0.15 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.08 1wm4 n SER 115 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 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 -4.34 6.51 0.35 -3.46 1.01 -1.26 -4.51 116.67 110.97 1wm4 s ASP 116 Ca 0.00 1.34 0.25 0.00 0.71 0.00 0.00 52.55 54.84 1wm4 s ASP 116 Cb 0.00 -2.41 0.56 0.00 1.01 0.00 0.00 42.92 42.08 1wm4 s ASP 116 CO 0.00 -0.54 1.69 0.08 0.21 0.00 0.00 175.17 176.60 1wm4 h ARG 117 N 0.87 0.00 -0.05 8.23 0.11 -1.98 -3.22 114.38 118.33 1wm4 h ARG 117 Ca -0.47 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.44 1wm4 h ARG 117 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1wm4 h ARG 117 CO 0.62 0.00 -0.71 -0.22 0.10 0.00 0.00 179.97 179.76 1wm4 h LYS 118 N 0.00 0.28 -0.12 0.08 3.64 -2.01 -2.87 116.57 115.57 1wm4 h LYS 118 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1wm4 h LYS 118 Cb 0.87 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1wm4 h LYS 118 CO 0.00 0.88 0.00 -0.85 -2.27 0.00 0.00 179.45 177.21 1wm4 n GLU 119 N -3.80 1.49 -0.01 1.90 0.28 -1.22 -3.34 120.64 115.93 1wm4 n GLU 119 Ca -0.03 -0.73 0.09 0.00 -0.16 0.00 0.00 57.16 56.33 1wm4 n GLU 119 Cb 0.69 -1.33 0.09 0.00 1.43 0.00 0.00 31.44 32.32 1wm4 n GLU 119 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1wm4 n LEU 120 N -0.03 2.62 -4.58 -1.84 0.00 -1.08 -4.73 117.00 107.35 1wm4 n LEU 120 Ca 0.14 -1.05 -0.45 0.00 0.00 0.00 0.00 56.01 54.66 1wm4 n LEU 120 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 43.42 43.62 1wm4 n LEU 120 CO 0.11 0.47 0.57 -0.62 0.00 0.00 0.00 177.39 177.92 1wm4 n GLU 121 N 1.07 1.29 -0.01 1.96 -0.58 -1.21 -4.77 120.64 118.38 1wm4 n GLU 121 Ca 0.11 0.45 -0.10 0.00 -0.42 0.00 0.00 57.16 57.21 1wm4 n GLU 121 Cb 0.48 -1.82 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1wm4 n GLU 121 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wm4 h GLU 122 N 2.12 -0.30 -0.34 3.49 3.07 -1.94 -1.76 114.58 118.91 1wm4 h GLU 122 Ca -0.39 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.54 1wm4 h GLU 122 Cb 1.34 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.27 1wm4 h GLU 122 CO 0.62 -0.20 0.02 -0.44 -1.40 0.00 0.00 179.01 177.60 1wm4 h ASP 123 N -0.32 -0.09 -0.89 1.42 3.32 -1.99 0.23 116.42 118.11 1wm4 h ASP 123 Ca 0.11 0.07 0.21 0.00 0.02 0.00 0.00 57.03 57.44 1wm4 h ASP 123 Cb 0.48 0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.03 1wm4 h ASP 123 CO -0.34 -0.01 0.40 0.15 -1.72 0.00 0.00 179.24 177.71 1wm4 h PHE 124 N 0.12 0.66 0.00 4.55 3.57 -1.71 1.05 116.94 125.19 1wm4 h PHE 124 Ca 0.16 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1wm4 h PHE 124 Cb 0.21 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1wm4 h PHE 124 CO -0.22 -0.02 -0.34 0.82 -2.23 0.00 0.00 178.31 176.31 1wm4 h ILE 125 N 0.43 0.68 0.43 1.41 1.08 -0.30 -2.97 117.51 118.27 1wm4 h ILE 125 Ca 0.55 -1.64 -0.02 0.00 -0.39 0.00 0.00 64.86 63.35 1wm4 h ILE 125 Cb 1.01 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1wm4 h ILE 125 CO -0.51 0.34 -0.21 -0.09 -0.69 0.00 0.00 178.15 176.99 1wm4 h ARG 126 N 0.00 -0.56 0.00 2.37 2.43 0.43 -0.66 114.38 118.39 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 1.07 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1wm4 h ARG 126 CO 0.04 -0.26 -0.02 1.03 -1.51 0.00 0.00 179.97 179.25 1wm4 h SER 127 N -0.84 0.00 0.03 -3.80 0.87 -1.34 -1.56 113.55 106.91 1wm4 h SER 127 Ca -0.06 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.27 1wm4 h SER 127 Cb 0.56 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1wm4 h SER 127 CO 0.10 0.02 -0.92 -0.33 -0.53 0.00 0.00 176.83 175.16 1wm4 h GLU 128 N 0.00 0.57 -0.37 2.24 4.39 -1.28 -3.26 114.58 116.87 1wm4 h GLU 128 Ca -0.00 -0.65 -0.14 0.00 0.34 0.00 0.00 59.36 58.90 1wm4 h GLU 128 Cb 0.14 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1wm4 h GLU 128 CO 0.00 1.26 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.71 1wm4 h LEU 129 N 0.15 0.89 0.00 1.33 3.38 -0.41 -1.54 115.31 119.11 1wm4 h LEU 129 Ca -0.13 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1wm4 h LEU 129 Cb 1.61 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1wm4 h LEU 129 CO 0.18 1.14 0.07 0.29 0.09 0.00 0.00 178.44 180.21 1wm4 n LYS 130 N -4.07 0.00 -2.50 1.13 4.01 -0.65 -4.82 118.16 111.26 1wm4 n LYS 130 Ca -0.01 0.17 -0.04 0.00 -0.51 0.00 0.00 58.31 57.91 1wm4 n LYS 130 Cb 0.51 -1.57 -0.04 0.00 -0.51 0.00 0.00 35.03 33.42 1wm4 n LYS 130 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1wm4 n LYS 131 N -1.10 -4.61 -2.75 1.97 4.81 -0.58 -5.00 118.16 110.91 1wm4 n LYS 131 Ca 0.00 3.45 -0.02 0.00 -0.87 0.00 0.00 58.31 60.87 1wm4 n LYS 131 Cb 0.07 -4.87 0.09 0.00 0.02 0.00 0.00 35.03 30.34 1wm4 n LYS 131 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wm4 n ALA 132 N 1.68 2.68 0.03 3.14 0.00 -1.26 -4.92 120.51 121.87 1wm4 n ALA 132 Ca -0.33 -1.97 -0.18 0.00 0.00 0.00 0.00 53.44 50.96 1wm4 n ALA 132 Cb 0.50 -0.87 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1wm4 n ALA 132 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1wm4 h GLY 133 N 1.95 0.27 -7.53 0.00 0.00 -1.92 -3.44 103.07 92.40 1wm4 h GLY 133 Ca -0.27 -0.70 -0.63 0.00 0.00 0.00 0.00 47.33 45.73 1wm4 h GLY 133 CO 0.04 0.61 -0.52 -0.32 0.00 0.00 0.00 176.54 176.35 1wm4 s GLY 134 N -5.22 1.94 -0.42 4.60 0.00 -1.26 -4.99 107.32 101.97 1wm4 s GLY 134 Ca -0.14 -1.01 0.08 0.00 0.00 0.00 0.00 44.72 43.64 1wm4 s GLY 134 CO 0.82 0.54 0.72 0.00 0.00 0.00 0.00 173.10 175.18 1wm4 n ALA 135 N 4.74 0.93 -0.04 3.20 0.00 -1.26 -4.97 120.51 123.11 1wm4 n ALA 135 Ca -0.15 -2.63 -0.14 0.00 0.00 0.00 0.00 53.44 50.52 1wm4 n ALA 135 Cb 0.52 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 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 3.75 0.09 -2.29 0.00 2.35 -1.94 -3.46 115.58 114.08 1wm4 h ASN 136 Ca -0.01 -0.79 -0.26 0.00 -0.55 0.00 0.00 56.30 54.70 1wm4 h ASN 136 Cb 0.96 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.23 1wm4 h ASN 136 CO 0.40 0.87 -0.27 0.00 -1.65 0.00 0.00 177.43 176.78 1wm4 n TYR 137 N -4.62 -0.77 0.14 1.19 9.36 -1.26 -4.23 117.16 116.96 1wm4 n TYR 137 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1wm4 n TYR 137 Cb 0.44 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.53 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 -0.95 -2.42 0.00 2.98 2.03 -1.26 -5.14 116.55 111.78 1wm4 n ASP 138 Ca -0.14 0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1wm4 n ASP 138 Cb 0.49 2.44 0.00 0.00 -0.72 0.00 0.00 41.12 43.33 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wm4 n ALA 139 N -3.15 0.00 -2.64 -1.67 0.00 -1.26 -5.12 120.51 106.67 1wm4 n ALA 139 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1wm4 n ALA 139 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.00 4.12 0.17 0.00 -0.44 -1.26 -4.89 119.66 117.36 1wm4 s GLN 140 Ca 0.00 0.90 0.00 0.00 -2.50 0.00 0.00 55.36 53.76 1wm4 s GLN 140 Cb 0.00 -3.68 0.00 0.00 -1.64 0.00 0.00 33.01 27.69 1wm4 s GLN 140 CO 0.00 -0.61 0.00 0.45 0.50 0.00 0.00 175.29 175.63 1wm4 n SER 141 N 6.19 -4.32 0.00 6.67 2.88 -1.26 -5.20 113.62 118.57 1wm4 n SER 141 Ca 0.06 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1wm4 n SER 141 Cb 0.47 -2.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.45 1wm4 n SER 141 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02