#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 3.44 0.55 3.04 0.00 -1.26 -4.69 121.76 122.83 1wm4 s ALA 2 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1wm4 s ALA 2 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1wm4 s ALA 2 CO 0.00 -0.39 0.00 2.41 0.00 0.00 0.00 175.76 177.78 1wm4 n THR 3 N 0.96 -5.72 -3.65 0.00 -1.04 -1.26 -4.99 114.28 98.58 1wm4 n THR 3 Ca -0.00 2.62 -0.20 0.00 -2.04 0.00 0.00 64.05 64.43 1wm4 n THR 3 Cb 0.43 -3.58 -0.17 0.00 -1.82 0.00 0.00 70.33 65.19 1wm4 n THR 3 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1wm4 s LYS 4 N -3.41 -0.03 0.03 -2.82 2.20 -1.26 -5.11 119.74 109.34 1wm4 s LYS 4 Ca 0.00 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 1wm4 s LYS 4 Cb 0.00 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 1wm4 s LYS 4 CO 0.00 -0.38 0.01 -1.50 -0.36 0.00 0.00 175.35 173.12 1wm4 s ILE 5 N 2.20 4.21 -0.09 5.43 2.07 -1.26 -2.30 121.20 131.46 1wm4 s ILE 5 Ca 0.04 -0.68 -0.24 0.00 -1.41 0.00 0.00 60.65 58.36 1wm4 s ILE 5 Cb -0.13 -2.92 -0.20 0.00 0.13 0.00 0.00 42.46 39.34 1wm4 s ILE 5 CO -0.05 0.30 0.85 -2.24 -1.91 0.00 0.00 174.94 171.89 1wm4 h ASP 6 N 4.03 -0.05 0.00 4.50 3.04 -1.93 -3.46 116.42 122.55 1wm4 h ASP 6 Ca -0.48 -0.63 0.00 0.00 -3.24 0.00 0.00 57.03 52.68 1wm4 h ASP 6 Cb 1.17 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 1wm4 h ASP 6 CO 0.59 0.67 0.00 0.29 -2.04 0.00 0.00 179.24 178.75 1wm4 n LYS 7 N -4.76 0.00 -0.35 4.15 5.02 -1.26 -4.51 118.16 116.45 1wm4 n LYS 7 Ca -0.08 0.00 0.23 0.00 -2.02 0.00 0.00 58.31 56.44 1wm4 n LYS 7 Cb 0.33 -0.27 0.48 0.00 -0.02 0.00 0.00 35.03 35.54 1wm4 n LYS 7 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1wm4 h GLU 8 N 0.00 0.37 0.26 1.97 4.22 -1.99 -0.68 114.58 118.74 1wm4 h GLU 8 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1wm4 h GLU 8 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1wm4 h GLU 8 CO 0.00 0.25 -0.12 0.00 -2.18 0.00 0.00 179.01 176.95 1wm4 h ALA 9 N 1.74 -0.35 -0.02 2.92 0.00 -1.99 -2.74 119.26 118.83 1wm4 h ALA 9 Ca 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1wm4 h ALA 9 Cb 1.61 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1wm4 h ALA 9 CO -0.49 -0.32 -0.02 0.00 0.00 0.00 0.00 179.25 178.42 1wm4 h ARG 11 N -0.01 -0.22 -0.73 0.00 1.12 -1.32 1.87 114.38 115.08 1wm4 h ARG 11 Ca 0.00 0.02 0.11 0.00 -1.11 0.00 0.00 59.98 59.00 1wm4 h ARG 11 Cb 0.02 0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 29.95 1wm4 h ARG 11 CO -0.02 -0.15 0.35 0.00 -3.11 0.00 0.00 179.97 177.04 1wm4 h ALA 12 N 0.65 1.03 0.06 2.80 0.00 -1.06 -2.41 119.26 120.34 1wm4 h ALA 12 Ca 0.18 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1wm4 h ALA 12 Cb 0.56 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wm4 h ALA 12 CO -0.67 -0.09 -0.56 0.00 0.00 0.00 0.00 179.25 177.93 1wm4 h ALA 13 N 1.47 -0.01 -0.58 0.00 0.00 0.26 -2.85 119.26 117.55 1wm4 h ALA 13 Ca 0.38 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1wm4 h ALA 13 Cb 0.46 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 1wm4 h ALA 13 CO -0.31 0.27 -0.38 1.88 0.00 0.00 0.00 179.25 180.71 1wm4 h TYR 14 N -0.39 -1.08 0.00 0.00 -1.99 0.31 0.62 116.97 114.44 1wm4 h TYR 14 Ca -0.09 0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1wm4 h TYR 14 Cb 1.36 0.56 -0.00 0.00 2.00 0.00 0.00 36.73 40.65 1wm4 h TYR 14 CO 0.19 -0.40 -0.09 -0.91 -0.00 0.00 0.00 178.16 176.94 1wm4 h ASN 15 N -0.19 0.00 -0.21 3.88 -0.26 -1.56 -3.05 115.58 114.19 1wm4 h ASN 15 Ca 0.21 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.77 1wm4 h ASN 15 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1wm4 h ASN 15 CO -0.68 0.09 -0.57 0.25 -1.06 0.00 0.00 177.43 175.46 1wm4 h LEU 16 N 0.00 0.86 -0.03 1.61 5.85 0.35 -2.79 115.31 121.17 1wm4 h LEU 16 Ca -0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1wm4 h LEU 16 Cb 0.63 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1wm4 h LEU 16 CO 0.01 1.28 0.00 1.33 -0.34 0.00 0.00 178.44 180.73 1wm4 n VAL 17 N -4.08 1.01 0.15 1.05 0.24 0.30 -2.07 118.33 114.93 1wm4 n VAL 17 Ca -0.06 0.25 0.03 0.00 -2.04 0.00 0.00 64.34 62.53 1wm4 n VAL 17 Cb 0.63 -1.02 0.14 0.00 -1.47 0.00 0.00 33.84 32.13 1wm4 n VAL 17 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wm4 h ARG 18 N 0.00 0.00 -4.22 7.34 2.43 -1.49 -2.51 114.38 115.92 1wm4 h ARG 18 Ca 0.00 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 1wm4 h ARG 18 Cb 0.25 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1wm4 h ARG 18 CO 0.00 0.48 1.82 -3.47 -1.51 0.00 0.00 179.97 177.29 1wm4 n ASP 19 N -3.35 2.09 -1.95 -3.80 -0.08 -0.88 -4.09 116.55 104.49 1wm4 n ASP 19 Ca 0.01 -2.37 -0.13 0.00 -1.51 0.00 0.00 54.79 50.79 1wm4 n ASP 19 Cb 0.66 -0.80 -0.03 0.00 2.34 0.00 0.00 41.12 43.29 1wm4 n ASP 19 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1wm4 n ASP 20 N 6.39 -3.69 -2.63 1.67 8.00 -1.26 -1.30 116.55 123.73 1wm4 n ASP 20 Ca 0.35 0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.99 1wm4 n ASP 20 Cb 0.24 -3.27 0.05 0.00 -0.02 0.00 0.00 41.12 38.12 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wm4 n GLY 21 N -0.55 -0.23 0.72 0.44 0.00 -0.95 -4.91 105.19 99.71 1wm4 n GLY 21 Ca -0.14 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1wm4 n GLY 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wm4 n SER 22 N -2.50 2.15 0.00 1.61 3.41 -0.42 -4.91 113.62 112.96 1wm4 n SER 22 Ca -0.13 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1wm4 n SER 22 Cb 0.60 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1wm4 n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wm4 n ALA 23 N 0.65 0.00 -2.21 7.33 0.00 -1.26 -5.07 120.51 119.95 1wm4 n ALA 23 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1wm4 n ALA 23 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1wm4 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wm4 s VAL 24 N 2.71 3.50 0.37 0.00 0.11 -1.26 -4.88 120.40 120.95 1wm4 s VAL 24 Ca 0.00 1.03 0.06 0.00 -2.93 0.00 0.00 61.98 60.14 1wm4 s VAL 24 Cb 0.00 -3.66 0.21 0.00 -1.53 0.00 0.00 36.38 31.40 1wm4 s VAL 24 CO 0.00 0.06 1.97 -0.29 -3.33 0.00 0.00 175.10 173.51 1wm4 h ILE 25 N 4.47 1.15 -2.18 7.04 2.10 -1.08 -3.40 117.51 125.60 1wm4 h ILE 25 Ca -0.41 -0.48 -0.05 0.00 1.08 0.00 0.00 64.86 65.01 1wm4 h ILE 25 Cb 1.20 0.71 -0.18 0.00 -1.09 0.00 0.00 36.82 37.46 1wm4 h ILE 25 CO 0.87 0.18 0.21 -1.66 -1.08 0.00 0.00 178.15 176.67 1wm4 s TRP 26 N -5.25 -0.63 0.00 2.19 1.48 -1.23 -3.77 118.94 111.73 1wm4 s TRP 26 Ca -0.08 0.96 0.08 0.00 -1.06 0.00 0.00 56.10 56.00 1wm4 s TRP 26 Cb 0.16 0.44 -0.02 0.00 -1.16 0.00 0.00 33.47 32.89 1wm4 s TRP 26 CO 0.75 -0.65 -0.25 0.14 -4.06 0.00 0.00 176.95 172.88 1wm4 s VAL 27 N -1.69 2.22 -0.02 -0.66 -7.23 -1.25 -3.14 120.40 108.63 1wm4 s VAL 27 Ca -0.08 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1wm4 s VAL 27 Cb -0.00 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1wm4 s VAL 27 CO 0.05 0.50 -0.09 0.42 -0.31 0.00 0.00 175.10 175.67 1wm4 s THR 28 N -0.70 0.81 0.33 5.32 -4.23 -1.23 -3.79 115.64 112.14 1wm4 s THR 28 Ca 0.11 -0.38 0.10 0.00 -1.18 0.00 0.00 61.69 60.33 1wm4 s THR 28 Cb -0.10 -0.71 -0.06 0.00 1.34 0.00 0.00 72.50 72.97 1wm4 s THR 28 CO 0.00 0.25 -0.04 0.72 -0.54 0.00 0.00 174.62 175.01 1wm4 s PHE 29 N 0.14 2.49 0.01 3.99 -0.71 -1.26 -1.03 117.98 121.61 1wm4 s PHE 29 Ca -0.02 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.43 1wm4 s PHE 29 Cb -0.08 -1.37 -0.01 0.00 -1.21 0.00 0.00 43.02 40.34 1wm4 s PHE 29 CO 0.00 0.55 0.01 -0.98 -1.34 0.00 0.00 175.22 173.46 1wm4 s ARG 30 N -3.66 0.27 -0.99 1.99 1.70 -1.16 -4.09 118.95 113.01 1wm4 s ARG 30 Ca 0.33 -0.44 -0.28 0.00 -0.47 0.00 0.00 55.73 54.88 1wm4 s ARG 30 Cb -0.01 0.10 -0.23 0.00 -0.57 0.00 0.00 34.95 34.24 1wm4 s ARG 30 CO 0.18 -0.05 2.61 0.66 -1.08 0.00 0.00 175.30 177.62 1wm4 n TYR 31 N 1.91 0.48 -3.21 5.89 4.01 -1.26 -4.09 117.16 120.89 1wm4 n TYR 31 Ca -0.21 0.33 -0.45 0.00 -0.16 0.00 0.00 57.90 57.41 1wm4 n TYR 31 Cb 0.56 -2.12 -0.05 0.00 -0.31 0.00 0.00 39.34 37.42 1wm4 n TYR 31 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wm4 s ASP 32 N 7.75 6.19 1.15 7.72 1.11 -0.89 -4.93 116.67 134.76 1wm4 s ASP 32 Ca 1.34 -1.45 0.00 0.00 0.18 0.00 0.00 52.55 52.62 1wm4 s ASP 32 Cb -1.20 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 40.53 1wm4 s ASP 32 CO 0.50 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 176.50 1wm4 n GLY 33 N 5.25 3.41 1.33 0.21 0.00 -1.26 -0.02 105.19 114.11 1wm4 n GLY 33 Ca -0.11 0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 11.70 3.59 -3.51 4.61 0.00 -1.26 -4.93 120.51 130.71 1wm4 n ALA 34 Ca 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 53.44 50.99 1wm4 n ALA 34 Cb 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.89 -0.04 -0.46 0.00 2.01 0.97 -4.18 115.64 111.04 1wm4 s THR 35 Ca 0.48 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 1wm4 s THR 35 Cb 0.38 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.75 1wm4 s THR 35 CO 0.10 0.05 1.11 -0.63 -0.69 0.00 0.00 174.62 174.57 1wm4 s ILE 36 N 0.80 4.26 0.06 1.82 1.09 -0.97 -2.10 121.20 126.16 1wm4 s ILE 36 Ca -0.06 1.20 0.02 0.00 -1.10 0.00 0.00 60.65 60.71 1wm4 s ILE 36 Cb -0.09 -4.57 -0.03 0.00 -1.06 0.00 0.00 42.46 36.71 1wm4 s ILE 36 CO -0.03 -0.95 -0.08 0.68 -0.10 0.00 0.00 174.94 174.46 1wm4 s VAL 37 N 4.31 0.64 0.27 2.92 -7.23 -1.26 -2.95 120.40 117.11 1wm4 s VAL 37 Ca 0.46 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 1wm4 s VAL 37 Cb -0.08 -1.02 -0.11 0.00 0.56 0.00 0.00 36.38 35.74 1wm4 s VAL 37 CO 0.30 -0.54 0.07 -2.65 -0.31 0.00 0.00 175.10 171.97 1wm4 n PRO 38 N 0.92 0.00 0.00 4.82 -0.02 -1.26 -2.98 135.00 136.48 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 -0.69 0.00 0.00 -0.02 0.00 0.00 33.50 33.36 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 1.61 0.00 2.88 -1.23 0.00 -0.20 -4.57 105.19 103.68 1wm4 n GLY 39 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.32 -0.82 -3.07 1.61 8.00 -0.26 -4.96 116.55 116.73 1wm4 n ASP 40 Ca 0.00 -2.85 -0.08 0.00 0.71 0.00 0.00 54.79 52.57 1wm4 n ASP 40 Cb 0.00 1.74 0.02 0.00 -0.02 0.00 0.00 41.12 42.86 1wm4 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 s GLN 41 N -3.03 2.13 -0.28 -1.24 1.03 -1.26 -3.49 119.66 113.52 1wm4 s GLN 41 Ca 0.32 -1.35 -0.21 0.00 0.04 0.00 0.00 55.36 54.16 1wm4 s GLN 41 Cb 0.01 0.61 0.10 0.00 0.03 0.00 0.00 33.01 33.76 1wm4 s GLN 41 CO 0.23 -1.00 0.84 0.20 -2.54 0.00 0.00 175.29 173.02 1wm4 s GLY 42 N -3.07 -0.37 0.00 2.60 0.00 -1.19 -4.68 107.32 100.62 1wm4 s GLY 42 Ca 0.15 2.49 0.13 0.00 0.00 0.00 0.00 44.72 47.49 1wm4 s GLY 42 CO 0.10 2.08 0.73 0.00 0.00 0.00 0.00 173.10 176.01 1wm4 n ALA 43 N 3.14 3.12 -3.75 3.20 0.00 -1.26 -0.59 120.51 124.36 1wm4 n ALA 43 Ca -0.16 -0.48 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 1wm4 n ALA 43 Cb 0.57 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.74 -0.04 0.06 0.00 2.15 -1.26 -4.52 116.67 111.31 1wm4 s ASP 44 Ca 0.10 -0.97 0.23 0.00 0.43 0.00 0.00 52.55 52.34 1wm4 s ASP 44 Cb 0.11 0.79 0.94 0.00 -0.30 0.00 0.00 42.92 44.45 1wm4 s ASP 44 CO 0.36 -1.53 1.72 0.00 -0.17 0.00 0.00 175.17 175.56 1wm4 n TYR 45 N -0.50 0.23 0.08 -5.34 9.36 -1.26 -3.01 117.16 116.72 1wm4 n TYR 45 Ca -0.06 0.08 -0.09 0.00 3.32 0.00 0.00 57.90 61.15 1wm4 n TYR 45 Cb 0.60 -0.63 -0.06 0.00 -0.63 0.00 0.00 39.34 38.62 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 0.11 -0.46 2.98 1.08 -2.00 -3.28 115.11 113.54 1wm4 h GLN 46 Ca 0.00 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 1wm4 h GLN 46 Cb 0.43 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1wm4 h GLN 46 CO 0.00 0.99 0.05 1.25 -0.95 0.00 0.00 178.83 180.17 1wm4 h HIS 47 N 0.05 0.85 -0.49 2.96 2.76 -1.91 -2.33 115.15 117.04 1wm4 h HIS 47 Ca -0.04 -0.13 0.12 0.00 -2.20 0.00 0.00 60.37 58.12 1wm4 h HIS 47 Cb 1.67 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 30.38 1wm4 h HIS 47 CO 0.02 0.80 0.34 0.27 -1.30 0.00 0.00 177.93 178.06 1wm4 h PHE 48 N 0.65 0.14 0.00 5.26 -5.15 -1.69 0.40 116.94 116.55 1wm4 h PHE 48 Ca 0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.91 1wm4 h PHE 48 Cb 0.43 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.56 1wm4 h PHE 48 CO 0.03 0.06 -0.22 -0.89 -2.00 0.00 0.00 178.31 175.29 1wm4 n ILE 49 N -4.43 0.42 -0.09 0.88 5.41 -0.92 -3.52 119.36 117.12 1wm4 n ILE 49 Ca 0.08 -0.23 -0.16 0.00 1.00 0.00 0.00 62.75 63.45 1wm4 n ILE 49 Cb 0.47 -0.38 -0.09 0.00 -0.71 0.00 0.00 39.64 38.92 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 -2.12 0.38 -0.00 0.17 -3.39 115.11 110.15 1wm4 h GLN 50 Ca 0.00 0.00 -0.78 0.00 -0.00 0.00 0.00 58.65 57.87 1wm4 h GLN 50 Cb 0.70 0.00 -0.28 0.00 0.00 0.00 0.00 27.48 27.90 1wm4 h GLN 50 CO 0.00 0.75 0.99 0.00 0.00 0.00 0.00 178.83 180.57 1wm4 n GLN 51 N -4.53 4.09 -2.88 1.69 10.64 -0.63 -4.68 117.38 121.09 1wm4 n GLN 51 Ca -0.21 -4.12 -0.12 0.00 -1.83 0.00 0.00 57.00 50.71 1wm4 n GLN 51 Cb 0.52 -2.37 0.03 0.00 -0.86 0.00 0.00 30.24 27.55 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 -0.06 4.72 -1.80 0.00 -4.23 -1.26 -4.88 115.64 108.13 1wm4 s THR 53 Ca 0.31 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1wm4 s THR 53 Cb 0.24 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1wm4 s THR 53 CO -0.17 -0.59 0.05 0.47 -0.54 0.00 0.00 174.62 173.85 1wm4 n ASP 54 N -1.42 0.00 -1.28 3.99 8.00 -1.26 -1.55 116.55 123.03 1wm4 n ASP 54 Ca 0.04 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.50 1wm4 n ASP 54 Cb 0.54 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.86 1wm4 n ASP 54 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wm4 n ASP 55 N -0.51 3.17 -3.81 -2.24 9.92 -1.26 0.33 116.55 122.15 1wm4 n ASP 55 Ca 0.00 -3.52 -0.12 0.00 -0.53 0.00 0.00 54.79 50.62 1wm4 n ASP 55 Cb 0.00 -0.65 -0.10 0.00 -0.64 0.00 0.00 41.12 39.74 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1wm4 s VAL 56 N -3.13 0.06 -0.04 2.53 -7.23 -0.59 -4.41 120.40 107.58 1wm4 s VAL 56 Ca 0.46 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 60.19 1wm4 s VAL 56 Cb 0.40 -0.50 0.01 0.00 0.56 0.00 0.00 36.38 36.85 1wm4 s VAL 56 CO 0.04 -0.25 -0.11 0.00 -0.31 0.00 0.00 175.10 174.47 1wm4 s ARG 57 N -1.06 1.28 0.08 4.82 1.70 -1.26 -1.19 118.95 123.32 1wm4 s ARG 57 Ca -0.11 -0.36 -0.25 0.00 -0.47 0.00 0.00 55.73 54.53 1wm4 s ARG 57 Cb -0.05 -1.13 0.09 0.00 -0.57 0.00 0.00 34.95 33.28 1wm4 s ARG 57 CO 0.02 0.09 1.17 -0.48 -1.08 0.00 0.00 175.30 175.03 1wm4 s LEU 58 N 0.36 0.01 0.18 -1.89 0.05 0.44 -4.80 118.68 113.03 1wm4 s LEU 58 Ca -0.07 -0.44 0.09 0.00 0.05 0.00 0.00 54.13 53.76 1wm4 s LEU 58 Cb -0.12 1.69 -0.04 0.00 -2.05 0.00 0.00 46.19 45.67 1wm4 s LEU 58 CO 0.02 -0.63 -0.08 -0.36 -0.55 0.00 0.00 176.35 174.74 1wm4 s PHE 59 N -2.07 2.67 0.05 3.48 0.08 -1.26 0.28 117.98 121.22 1wm4 s PHE 59 Ca 0.26 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.10 1wm4 s PHE 59 Cb -0.02 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1wm4 s PHE 59 CO 0.02 0.51 -0.04 0.00 -0.10 0.00 0.00 175.22 175.62 1wm4 s ALA 60 N -1.69 0.54 -0.24 5.36 0.00 0.49 -3.98 121.76 122.25 1wm4 s ALA 60 Ca 0.25 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1wm4 s ALA 60 Cb -0.09 0.24 0.12 0.00 0.00 0.00 0.00 23.12 23.40 1wm4 s ALA 60 CO 0.16 -0.33 0.31 0.12 0.00 0.00 0.00 175.76 176.02 1wm4 s PHE 61 N -3.67 -0.58 0.17 0.00 5.36 -1.25 0.00 117.98 118.01 1wm4 s PHE 61 Ca 0.06 0.41 0.10 0.00 -0.96 0.00 0.00 56.93 56.54 1wm4 s PHE 61 Cb 0.06 -0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.49 1wm4 s PHE 61 CO -0.09 -0.73 -0.23 0.54 -1.46 0.00 0.00 175.22 173.25 1wm4 s VAL 62 N 2.44 2.17 -0.49 3.12 0.11 -1.24 -3.86 120.40 122.65 1wm4 s VAL 62 Ca 0.10 -1.92 -0.24 0.00 -2.93 0.00 0.00 61.98 56.99 1wm4 s VAL 62 Cb -0.15 -2.00 0.03 0.00 -1.53 0.00 0.00 36.38 32.74 1wm4 s VAL 62 CO -0.19 -0.12 0.87 -0.60 -3.33 0.00 0.00 175.10 171.73 1wm4 s ARG 63 N -2.53 3.40 0.34 1.54 3.52 -1.25 -3.97 118.95 120.00 1wm4 s ARG 63 Ca 0.17 -0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 1wm4 s ARG 63 Cb -0.08 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.28 1wm4 s ARG 63 CO 0.08 -1.28 0.64 -0.06 -0.81 0.00 0.00 175.30 173.87 1wm4 s PHE 64 N 3.61 3.48 0.23 5.12 0.08 -0.45 -4.84 117.98 125.21 1wm4 s PHE 64 Ca 0.31 0.75 -0.29 0.00 0.12 0.00 0.00 56.93 57.83 1wm4 s PHE 64 Cb -0.12 -2.21 -0.09 0.00 -0.57 0.00 0.00 43.02 40.04 1wm4 s PHE 64 CO 0.22 0.05 0.91 -0.08 -0.10 0.00 0.00 175.22 176.22 1wm4 s THR 65 N -2.24 4.12 -0.21 0.64 -1.32 -1.26 0.11 115.64 115.49 1wm4 s THR 65 Ca 0.46 2.02 -0.04 0.00 -1.21 0.00 0.00 61.69 62.92 1wm4 s THR 65 Cb -0.10 -4.29 0.10 0.00 -1.51 0.00 0.00 72.50 66.69 1wm4 s THR 65 CO 0.32 0.50 0.26 -0.89 -2.21 0.00 0.00 174.62 172.60 1wm4 s THR 66 N -1.18 -0.39 -0.35 5.08 2.01 -1.26 -4.70 115.64 114.86 1wm4 s THR 66 Ca 0.40 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 1wm4 s THR 66 Cb -0.25 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1wm4 s THR 66 CO 0.31 -0.17 0.31 0.61 -0.69 0.00 0.00 174.62 174.99 1wm4 n GLY 67 N 5.33 0.18 1.61 4.40 0.00 -1.26 -4.45 105.19 111.01 1wm4 n GLY 67 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wm4 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wm4 n ASP 68 N -2.04 2.59 -4.96 1.61 5.68 -1.26 -4.33 116.55 113.83 1wm4 n ASP 68 Ca -0.02 -1.62 -0.21 0.00 -0.50 0.00 0.00 54.79 52.44 1wm4 n ASP 68 Cb 0.54 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wm4 s ALA 69 N 0.87 3.91 0.00 2.12 0.00 -1.26 -4.86 121.76 122.53 1wm4 s ALA 69 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1wm4 s ALA 69 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1wm4 s ALA 69 CO 0.00 0.25 0.00 -1.33 0.00 0.00 0.00 175.76 174.68 1wm4 n MET 70 N -1.36 0.00 -2.78 0.00 2.81 -1.26 -4.31 117.12 110.22 1wm4 n MET 70 Ca -0.09 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.43 1wm4 n MET 70 Cb 0.57 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.01 1wm4 n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1wm4 s SER 71 N -4.00 7.31 -1.31 7.83 0.01 -1.26 -4.93 113.70 117.35 1wm4 s SER 71 Ca 0.00 1.83 -0.17 0.00 1.31 0.00 0.00 55.95 58.92 1wm4 s SER 71 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.67 1wm4 s SER 71 CO 0.00 -0.09 2.04 0.29 0.41 0.00 0.00 173.24 175.89 1wm4 n LYS 72 N 0.48 2.69 -1.46 12.44 5.02 -1.26 -4.75 118.16 131.32 1wm4 n LYS 72 Ca 0.02 -2.68 -0.29 0.00 -2.02 0.00 0.00 58.31 53.34 1wm4 n LYS 72 Cb 0.50 -3.33 0.18 0.00 -0.02 0.00 0.00 35.03 32.37 1wm4 n LYS 72 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wm4 s ARG 73 N 3.91 0.32 0.07 1.97 0.52 -1.26 -5.06 118.95 119.42 1wm4 s ARG 73 Ca 0.52 0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 55.65 1wm4 s ARG 73 Cb 0.10 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.83 1wm4 s ARG 73 CO -0.00 -2.71 0.30 0.45 0.02 0.00 0.00 175.30 173.35 1wm4 s SER 74 N -4.13 -0.09 0.14 0.23 0.15 -1.26 -4.02 113.70 104.72 1wm4 s SER 74 Ca 0.68 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 57.05 1wm4 s SER 74 Cb -0.11 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1wm4 s SER 74 CO 0.54 -0.69 0.13 -0.75 1.20 0.00 0.00 173.24 173.68 1wm4 s LYS 75 N -3.10 2.94 -0.13 5.44 2.47 0.31 -4.79 119.74 122.88 1wm4 s LYS 75 Ca -0.01 -0.81 0.00 0.00 -1.56 0.00 0.00 55.97 53.59 1wm4 s LYS 75 Cb 0.01 -2.69 0.02 0.00 -1.46 0.00 0.00 37.83 33.72 1wm4 s LYS 75 CO -0.07 0.51 -0.11 -0.06 0.16 0.00 0.00 175.35 175.77 1wm4 s PHE 76 N -1.67 1.84 0.08 4.03 0.08 -1.26 -1.34 117.98 119.73 1wm4 s PHE 76 Ca 0.31 -0.98 -0.07 0.00 0.12 0.00 0.00 56.93 56.32 1wm4 s PHE 76 Cb -0.11 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 1wm4 s PHE 76 CO 0.23 -0.58 0.14 0.00 -0.10 0.00 0.00 175.22 174.91 1wm4 s ALA 77 N 1.55 -0.01 0.22 5.36 0.00 -1.25 0.26 121.76 127.88 1wm4 s ALA 77 Ca 0.04 -0.79 0.07 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 -0.09 -0.48 0.09 -1.17 0.00 0.00 0.00 175.76 174.11 1wm4 s LEU 78 N -2.88 3.54 0.01 0.00 0.20 -0.59 -3.68 118.68 115.28 1wm4 s LEU 78 Ca 0.07 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.53 1wm4 s LEU 78 Cb 0.06 -2.11 -0.01 0.00 -0.43 0.00 0.00 46.19 43.70 1wm4 s LEU 78 CO -0.10 0.02 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.32 1wm4 s ILE 79 N -2.03 0.22 -0.25 6.68 1.01 0.10 0.19 121.20 127.12 1wm4 s ILE 79 Ca 0.31 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1wm4 s ILE 79 Cb -0.08 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1wm4 s ILE 79 CO 0.22 -0.13 0.07 -0.89 0.00 0.00 0.00 174.94 174.20 1wm4 s THR 80 N -0.55 4.30 -0.40 2.92 2.01 0.18 -0.38 115.64 123.72 1wm4 s THR 80 Ca -0.04 -0.18 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 1wm4 s THR 80 Cb -0.04 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1wm4 s THR 80 CO -0.00 0.34 0.57 0.86 -0.69 0.00 0.00 174.62 175.70 1wm4 s TRP 81 N 1.58 3.13 -0.67 4.92 -0.11 0.80 -1.81 118.94 126.79 1wm4 s TRP 81 Ca 0.06 0.00 -0.10 0.00 1.22 0.00 0.00 56.10 57.29 1wm4 s TRP 81 Cb -0.15 -3.12 0.17 0.00 -1.50 0.00 0.00 33.47 28.87 1wm4 s TRP 81 CO 0.03 -0.71 0.56 0.42 -4.62 0.00 0.00 176.95 172.63 1wm4 s ILE 82 N 2.56 4.72 0.86 5.86 -1.09 -1.23 -0.42 121.20 132.46 1wm4 s ILE 82 Ca 0.20 -2.38 -0.10 0.00 -2.23 0.00 0.00 60.65 56.13 1wm4 s ILE 82 Cb -0.15 -4.00 0.11 0.00 -1.58 0.00 0.00 42.46 36.84 1wm4 s ILE 82 CO 0.16 -0.92 1.12 -0.83 -1.23 0.00 0.00 174.94 173.24 1wm4 s GLY 83 N 1.97 1.68 -0.64 6.18 0.00 -0.33 -4.79 107.32 111.40 1wm4 s GLY 83 Ca 0.14 0.42 0.06 0.00 0.00 0.00 0.00 44.72 45.33 1wm4 s GLY 83 CO -0.04 0.82 0.70 1.18 0.00 0.00 0.00 173.10 175.75 1wm4 n GLU 84 N -3.95 2.34 0.00 2.90 -0.58 0.99 -4.67 120.64 117.67 1wm4 n GLU 84 Ca 0.10 -4.57 0.00 0.00 -0.42 0.00 0.00 57.16 52.27 1wm4 n GLU 84 Cb 0.53 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1wm4 n ASP 85 N 1.03 0.00 0.00 1.62 2.03 -1.22 -4.72 116.55 115.30 1wm4 n ASP 85 Ca 0.28 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1wm4 n ASP 85 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1wm4 n ASP 85 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1wm4 n VAL 86 N -0.02 0.00 -4.50 5.18 0.31 -1.26 -5.04 118.33 113.00 1wm4 n VAL 86 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 1wm4 n VAL 86 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 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 2.04 0.14 4.52 7.64 -1.26 -5.04 113.62 121.66 1wm4 n SER 87 Ca 0.00 -2.78 0.12 0.00 1.01 0.00 0.00 58.87 57.22 1wm4 n SER 87 Cb 0.00 0.60 0.17 0.00 -1.01 0.00 0.00 64.21 63.97 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 1.17 0.00 -0.23 0.23 0.00 -2.01 -3.36 103.07 98.87 1wm4 h GLY 88 Ca -0.29 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.10 1wm4 h GLY 88 CO 0.48 0.00 -0.43 1.41 0.00 0.00 0.00 176.54 177.99 1wm4 h LEU 89 N 0.00 -1.42 -1.64 3.11 4.07 -2.02 0.18 115.31 117.59 1wm4 h LEU 89 Ca 0.00 0.21 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 1wm4 h LEU 89 Cb 0.90 0.61 -0.01 0.00 1.08 0.00 0.00 40.66 43.24 1wm4 h LEU 89 CO 0.00 -0.38 -0.05 1.56 -1.08 0.00 0.00 178.44 178.49 1wm4 h GLN 90 N -0.37 0.17 -0.20 1.13 4.20 -1.97 -2.17 115.11 115.89 1wm4 h GLN 90 Ca 0.12 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1wm4 h GLN 90 Cb 0.59 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1wm4 h GLN 90 CO -0.53 0.23 -0.24 -0.09 -0.67 0.00 0.00 178.83 177.53 1wm4 h ARG 91 N 0.17 -0.14 -0.07 1.46 9.65 -0.80 2.03 114.38 126.67 1wm4 h ARG 91 Ca 0.04 0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.77 1wm4 h ARG 91 Cb 0.20 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1wm4 h ARG 91 CO 0.01 -0.09 -0.65 0.00 2.80 0.00 0.00 179.97 182.03 1wm4 h ALA 92 N -0.72 0.76 0.47 2.80 0.00 -1.51 -3.13 119.26 117.92 1wm4 h ALA 92 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1wm4 h ALA 92 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wm4 h ALA 92 CO -0.27 0.75 -0.22 -0.22 0.00 0.00 0.00 179.25 179.29 1wm4 h LYS 93 N 0.20 -0.60 -1.19 0.00 1.63 -0.69 -3.07 116.57 112.85 1wm4 h LYS 93 Ca -0.01 0.04 0.37 0.00 -0.85 0.00 0.00 60.65 60.20 1wm4 h LYS 93 Cb 1.18 0.14 -0.12 0.00 -0.60 0.00 0.00 32.23 32.83 1wm4 h LYS 93 CO 0.10 -0.34 0.76 1.15 -3.45 0.00 0.00 179.45 177.68 1wm4 h THR 94 N -1.10 0.27 0.51 1.00 2.02 0.31 0.11 112.91 116.03 1wm4 h THR 94 Ca -0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1wm4 h THR 94 Cb 0.54 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1wm4 h THR 94 CO 0.10 0.04 -0.37 1.23 0.37 0.00 0.00 175.52 176.90 1wm4 h GLY 95 N 0.20 -0.94 0.79 2.16 0.00 -1.47 0.49 103.07 104.30 1wm4 h GLY 95 Ca 0.74 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 48.45 1wm4 h GLY 95 CO -0.39 -0.33 -0.01 -0.84 0.00 0.00 0.00 176.54 174.97 1wm4 h THR 96 N -0.85 1.26 -0.29 4.70 2.02 -0.80 -3.13 112.91 115.82 1wm4 h THR 96 Ca -0.06 -0.87 -0.10 0.00 0.77 0.00 0.00 66.41 66.15 1wm4 h THR 96 Cb 0.72 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1wm4 h THR 96 CO 0.02 0.26 -0.22 0.44 0.37 0.00 0.00 175.52 176.40 1wm4 h ASP 97 N 0.03 0.69 -0.31 4.18 5.19 -1.18 -2.64 116.42 122.37 1wm4 h ASP 97 Ca 0.05 -0.44 0.09 0.00 -0.62 0.00 0.00 57.03 56.10 1wm4 h ASP 97 Cb 0.40 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1wm4 h ASP 97 CO 0.01 0.99 0.32 0.07 -3.12 0.00 0.00 179.24 177.51 1wm4 h LYS 98 N 0.40 0.00 0.00 3.56 5.09 -0.08 0.59 116.57 126.13 1wm4 h LYS 98 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.63 1wm4 h LYS 98 Cb 0.76 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.07 1wm4 h LYS 98 CO 0.06 0.00 -0.77 1.15 -2.09 0.00 0.00 179.45 177.80 1wm4 h THR 99 N 0.00 1.54 0.57 0.07 2.02 -1.41 -2.20 112.91 113.50 1wm4 h THR 99 Ca 0.15 -2.66 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 1wm4 h THR 99 Cb 0.80 2.44 0.01 0.00 -1.74 0.00 0.00 68.15 69.65 1wm4 h THR 99 CO -0.00 0.76 -0.28 -0.07 0.37 0.00 0.00 175.52 176.30 1wm4 h LEU 100 N 0.00 -0.65 -1.70 2.58 3.38 0.30 -2.19 115.31 117.02 1wm4 h LEU 100 Ca -0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1wm4 h LEU 100 Cb 1.38 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1wm4 h LEU 100 CO 0.10 -0.27 -0.17 -0.37 0.09 0.00 0.00 178.44 177.81 1wm4 h VAL 101 N -1.11 0.72 -0.27 1.22 -1.51 -1.58 -2.07 116.25 111.65 1wm4 h VAL 101 Ca -0.08 -0.71 -0.16 0.00 -1.23 0.00 0.00 66.70 64.51 1wm4 h VAL 101 Cb 0.64 1.44 -0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1wm4 h VAL 101 CO 0.13 0.17 -0.49 0.50 -1.23 0.00 0.00 177.57 176.65 1wm4 h LYS 102 N 0.00 0.73 0.16 5.19 3.64 -1.33 -3.24 116.57 121.71 1wm4 h LYS 102 Ca -0.00 -0.43 -0.29 0.00 -1.27 0.00 0.00 60.65 58.65 1wm4 h LYS 102 Cb 0.43 0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1wm4 h LYS 102 CO 0.02 1.05 -1.29 1.49 -2.27 0.00 0.00 179.45 178.45 1wm4 h GLU 103 N 0.57 0.43 -0.56 1.90 4.81 -1.05 -3.20 114.58 117.48 1wm4 h GLU 103 Ca 0.03 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 1wm4 h GLU 103 Cb 1.06 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1wm4 h GLU 103 CO 0.10 1.31 0.00 1.55 -0.73 0.00 0.00 179.01 181.24 1wm4 n VAL 104 N -3.65 0.00 -3.69 0.32 3.14 -0.81 -4.73 118.33 108.91 1wm4 n VAL 104 Ca -0.12 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.90 1wm4 n VAL 104 Cb 1.03 -0.31 -0.07 0.00 -1.06 0.00 0.00 33.84 33.43 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 -1.14 5.37 -0.04 1.55 0.11 -1.21 -4.93 120.40 120.10 1wm4 s VAL 105 Ca 0.00 0.36 0.25 0.00 -2.93 0.00 0.00 61.98 59.65 1wm4 s VAL 105 Cb 0.00 -3.52 0.44 0.00 -1.53 0.00 0.00 36.38 31.77 1wm4 s VAL 105 CO 0.00 0.48 1.17 0.00 -3.33 0.00 0.00 175.10 173.42 1wm4 n GLN 106 N 2.99 0.30 0.00 1.54 0.00 -1.26 -4.81 117.38 116.13 1wm4 n GLN 106 Ca -0.16 -2.25 0.00 0.00 0.00 0.00 0.00 57.00 54.60 1wm4 n GLN 106 Cb 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 30.24 30.49 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 0.29 0.98 -4.91 2.61 4.13 -1.26 -5.09 115.26 112.00 1wm4 n ASN 107 Ca 0.07 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.05 1wm4 n ASN 107 Cb 1.09 0.17 0.07 0.00 -1.54 0.00 0.00 39.78 39.56 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1wm4 s PHE 108 N -0.63 3.05 -0.10 3.10 -0.71 -1.26 -4.77 117.98 116.65 1wm4 s PHE 108 Ca 0.00 0.73 0.10 0.00 -1.04 0.00 0.00 56.93 56.72 1wm4 s PHE 108 Cb 0.00 -3.26 -0.14 0.00 -1.21 0.00 0.00 43.02 38.41 1wm4 s PHE 108 CO 0.00 -1.47 0.05 0.00 -1.34 0.00 0.00 175.22 172.46 1wm4 n ALA 109 N -3.09 1.77 -3.52 1.99 0.00 0.74 -4.93 120.51 113.48 1wm4 n ALA 109 Ca 0.07 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.66 1wm4 n ALA 109 Cb 0.60 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.31 0.97 0.15 0.00 2.20 -1.22 -5.04 119.74 114.50 1wm4 s LYS 110 Ca -0.05 0.12 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 1wm4 s LYS 110 Cb 0.04 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 1wm4 s LYS 110 CO 0.46 -0.33 0.15 -1.83 -0.36 0.00 0.00 175.35 173.44 1wm4 s GLU 111 N -1.58 2.96 0.09 4.03 -1.05 -1.26 -1.54 118.70 120.35 1wm4 s GLU 111 Ca -0.07 -0.81 0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1wm4 s GLU 111 Cb -0.00 -2.69 -0.04 0.00 -0.44 0.00 0.00 34.13 30.95 1wm4 s GLU 111 CO 0.04 0.50 -0.06 -0.06 0.95 0.00 0.00 175.26 176.63 1wm4 s PHE 112 N -1.70 0.82 0.04 4.83 0.08 0.13 -4.87 117.98 117.30 1wm4 s PHE 112 Ca 0.31 -0.90 0.08 0.00 0.12 0.00 0.00 56.93 56.55 1wm4 s PHE 112 Cb -0.10 -0.49 -0.03 0.00 -0.57 0.00 0.00 43.02 41.83 1wm4 s PHE 112 CO 0.24 -0.18 -0.24 0.54 -0.10 0.00 0.00 175.22 175.48 1wm4 s VAL 113 N -3.47 1.96 0.16 -0.44 0.11 -1.26 -0.65 120.40 116.81 1wm4 s VAL 113 Ca 0.09 -1.30 0.06 0.00 -2.93 0.00 0.00 61.98 57.90 1wm4 s VAL 113 Cb 0.04 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1wm4 s VAL 113 CO -0.05 0.32 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.29 1wm4 s ILE 114 N -0.78 1.42 0.00 7.04 -1.09 -0.75 -4.85 121.20 122.19 1wm4 s ILE 114 Ca 0.10 -2.02 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 1wm4 s ILE 114 Cb -0.10 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 1wm4 s ILE 114 CO 0.02 -0.60 0.14 -1.54 -1.23 0.00 0.00 174.94 171.73 1wm4 n SER 115 N -0.06 0.08 -3.88 3.58 3.41 -1.26 -3.58 113.62 111.90 1wm4 n SER 115 Ca -0.11 -1.01 -0.10 0.00 -0.26 0.00 0.00 58.87 57.39 1wm4 n SER 115 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 1wm4 n SER 115 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wm4 s ASP 116 N -0.01 0.08 0.23 4.04 1.01 -1.26 -4.98 116.67 115.78 1wm4 s ASP 116 Ca 0.00 -0.40 0.07 0.00 0.71 0.00 0.00 52.55 52.93 1wm4 s ASP 116 Cb 0.00 0.25 0.21 0.00 1.01 0.00 0.00 42.92 44.39 1wm4 s ASP 116 CO 0.00 -0.51 1.52 -0.09 0.21 0.00 0.00 175.17 176.30 1wm4 h ARG 117 N 3.65 0.11 0.00 8.23 2.43 -1.98 -2.76 114.38 124.06 1wm4 h ARG 117 Ca -0.32 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 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 0.48 0.76 0.00 1.63 -1.51 0.00 0.00 179.97 181.33 1wm4 n LYS 118 N -3.76 0.25 -0.04 0.20 5.02 -1.26 -2.72 118.16 115.85 1wm4 n LYS 118 Ca -0.02 0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.44 1wm4 n LYS 118 Cb 0.68 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.35 1.47 -0.42 1.97 -0.58 -1.04 -3.39 120.64 117.31 1wm4 n GLU 119 Ca 0.10 -0.71 0.08 0.00 -0.42 0.00 0.00 57.16 56.21 1wm4 n GLU 119 Cb 0.23 -1.38 0.27 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.08 3.94 -4.75 -4.62 4.77 -1.10 -4.67 117.00 110.48 1wm4 n LEU 120 Ca 0.16 -2.39 -0.37 0.00 -0.03 0.00 0.00 56.01 53.39 1wm4 n LEU 120 Cb 0.25 -0.45 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1wm4 n LEU 120 CO 0.13 0.77 0.88 -1.61 -1.33 0.00 0.00 177.39 176.23 1wm4 s GLU 121 N -1.71 3.12 0.09 3.23 2.02 -1.22 -4.79 118.70 119.44 1wm4 s GLU 121 Ca 0.40 1.93 -0.25 0.00 0.02 0.00 0.00 54.97 57.07 1wm4 s GLU 121 Cb 0.26 -2.08 -0.14 0.00 0.10 0.00 0.00 34.13 32.27 1wm4 s GLU 121 CO 0.19 -1.12 1.70 0.93 0.02 0.00 0.00 175.26 176.99 1wm4 h GLU 122 N 1.20 -0.23 -0.09 1.61 5.08 -1.94 0.27 114.58 120.48 1wm4 h GLU 122 Ca -0.50 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1wm4 h GLU 122 Cb 1.29 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1wm4 h GLU 122 CO 0.56 -0.15 0.26 0.22 -1.00 0.00 0.00 179.01 178.90 1wm4 h ASP 123 N -0.24 0.00 0.02 1.42 1.82 -1.99 0.28 116.42 117.74 1wm4 h ASP 123 Ca -0.01 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1wm4 h ASP 123 Cb 0.21 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1wm4 h ASP 123 CO 0.00 0.00 -0.72 0.15 -1.61 0.00 0.00 179.24 177.06 1wm4 h PHE 124 N 0.00 0.07 0.00 0.28 3.57 -1.51 -3.16 116.94 116.19 1wm4 h PHE 124 Ca 0.04 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wm4 h PHE 124 Cb 0.56 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1wm4 h PHE 124 CO 0.00 1.28 0.00 -0.89 -2.23 0.00 0.00 178.31 176.47 1wm4 n ILE 125 N -4.44 0.95 -0.08 1.41 2.08 -0.06 -2.78 119.36 116.44 1wm4 n ILE 125 Ca -0.21 0.26 -0.15 0.00 0.56 0.00 0.00 62.75 63.21 1wm4 n ILE 125 Cb 0.63 -1.12 -0.12 0.00 -0.75 0.00 0.00 39.64 38.27 1wm4 n ILE 125 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1wm4 h ARG 126 N 0.00 0.00 0.00 0.38 2.43 -0.56 -2.65 114.38 113.97 1wm4 h ARG 126 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1wm4 h ARG 126 Cb 0.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1wm4 h ARG 126 CO 0.00 0.97 -0.08 1.03 -1.51 0.00 0.00 179.97 180.38 1wm4 h SER 127 N -1.00 0.00 0.20 -3.80 0.87 -1.49 0.24 113.55 108.57 1wm4 h SER 127 Ca -0.08 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.13 1wm4 h SER 127 Cb 1.04 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1wm4 h SER 127 CO -0.05 0.08 -1.74 1.05 -0.53 0.00 0.00 176.83 175.64 1wm4 h GLU 128 N 0.00 0.39 -0.02 2.24 4.11 -1.62 -3.35 114.58 116.33 1wm4 h GLU 128 Ca -0.00 -0.67 -0.22 0.00 0.07 0.00 0.00 59.36 58.53 1wm4 h GLU 128 Cb 0.26 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1wm4 h GLU 128 CO 0.01 1.32 -0.90 -0.07 0.07 0.00 0.00 179.01 179.44 1wm4 h LEU 129 N 0.11 0.58 0.00 3.06 3.38 -1.18 -2.32 115.31 118.94 1wm4 h LEU 129 Ca -0.34 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1wm4 h LEU 129 Cb 2.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1wm4 h LEU 129 CO 0.18 1.23 0.17 1.17 0.09 0.00 0.00 178.44 181.28 1wm4 n LYS 130 N -3.78 0.00 -2.34 1.13 0.00 0.82 -4.83 118.16 109.16 1wm4 n LYS 130 Ca -0.07 0.32 -0.02 0.00 0.00 0.00 0.00 58.31 58.55 1wm4 n LYS 130 Cb 0.81 -1.67 -0.02 0.00 0.00 0.00 0.00 35.03 34.15 1wm4 n LYS 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1wm4 n LYS 131 N -1.32 -4.59 -2.65 1.64 4.81 -0.87 -5.00 118.16 110.17 1wm4 n LYS 131 Ca 0.00 3.42 -0.01 0.00 -0.87 0.00 0.00 58.31 60.85 1wm4 n LYS 131 Cb 0.17 -4.54 0.07 0.00 0.02 0.00 0.00 35.03 30.75 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 1.64 2.72 -0.48 3.14 0.00 -1.26 -5.05 120.51 121.23 1wm4 n ALA 132 Ca -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.24 1wm4 n ALA 132 Cb 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.86 0.71 0.00 0.00 0.00 -1.26 -4.92 105.19 98.86 1wm4 n GLY 133 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 2.06 -0.02 0.00 -1.26 -5.04 105.19 100.92 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 0.35 0.20 4.61 0.00 -1.26 -4.92 120.51 119.49 1wm4 n ALA 135 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1wm4 n ALA 135 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1wm4 n ALA 135 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1wm4 h ASN 136 N 0.00 0.00 0.97 0.00 -0.73 -1.99 -2.35 115.58 111.48 1wm4 h ASN 136 Ca 0.00 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1wm4 h ASN 136 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1wm4 h ASN 136 CO 0.00 0.21 -0.23 0.22 -0.37 0.00 0.00 177.43 177.26 1wm4 h TYR 137 N 0.00 0.00 -0.72 0.67 3.20 -1.96 -3.37 116.97 114.79 1wm4 h TYR 137 Ca -0.00 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 1wm4 h TYR 137 Cb 1.04 0.00 -0.23 0.00 1.54 0.00 0.00 36.73 39.08 1wm4 h TYR 137 CO 0.00 0.23 -0.71 -0.40 -1.64 0.00 0.00 178.16 175.64 1wm4 n ASP 138 N -3.37 -1.83 -0.02 -2.11 5.75 -1.15 -5.00 116.55 108.80 1wm4 n ASP 138 Ca 0.00 -3.08 -0.06 0.00 -0.01 0.00 0.00 54.79 51.64 1wm4 n ASP 138 Cb 0.44 0.96 -0.05 0.00 -1.03 0.00 0.00 41.12 41.45 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wm4 h ALA 139 N 4.02 -0.07 -3.00 2.12 0.00 -1.60 -3.44 119.26 117.29 1wm4 h ALA 139 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wm4 h ALA 139 Cb 0.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wm4 h ALA 139 CO 0.37 -0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.58 1wm4 n GLN 140 N -4.78 3.61 -3.44 0.00 6.02 -1.26 -5.07 117.38 112.45 1wm4 n GLN 140 Ca -0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.71 1wm4 n GLN 140 Cb 0.18 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.33 1wm4 n GLN 140 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1wm4 s SER 141 N -1.00 2.36 0.00 1.08 1.04 -1.26 -5.19 113.70 110.73 1wm4 s SER 141 Ca 0.00 -1.50 0.27 0.00 0.48 0.00 0.00 55.95 55.20 1wm4 s SER 141 Cb 0.00 0.06 0.79 0.00 0.10 0.00 0.00 66.02 66.97 1wm4 s SER 141 CO 0.00 -0.35 1.60 1.21 0.98 0.00 0.00 173.24 176.68