#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm4 n ALA 2 N 0.00 0.00 -3.53 3.04 0.00 -1.26 -4.59 120.51 114.17 1wm4 n ALA 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1wm4 n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 -0.11 0.00 2.01 -1.26 -5.12 115.64 111.17 1wm4 s THR 3 Ca 0.00 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1wm4 s THR 3 Cb 0.00 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1wm4 s THR 3 CO 0.00 -0.02 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.15 1wm4 s LYS 4 N -0.59 0.92 -0.09 4.92 2.47 -1.25 -5.11 119.74 121.02 1wm4 s LYS 4 Ca -0.07 -0.11 -0.01 0.00 -1.56 0.00 0.00 55.97 54.22 1wm4 s LYS 4 Cb -0.02 -1.36 -0.03 0.00 -1.46 0.00 0.00 37.83 34.95 1wm4 s LYS 4 CO 0.06 -0.35 -0.01 -1.50 0.16 0.00 0.00 175.35 173.71 1wm4 s ILE 5 N 1.86 4.20 -0.57 5.43 1.10 -1.26 -2.25 121.20 129.71 1wm4 s ILE 5 Ca 0.04 -0.29 0.01 0.00 -0.51 0.00 0.00 60.65 59.90 1wm4 s ILE 5 Cb -0.13 -2.76 0.54 0.00 0.15 0.00 0.00 42.46 40.26 1wm4 s ILE 5 CO -0.07 0.60 1.97 -0.67 -2.11 0.00 0.00 174.94 174.66 1wm4 n ASP 6 N 2.21 5.95 0.23 4.50 2.03 -0.52 -4.66 116.55 126.29 1wm4 n ASP 6 Ca -0.18 -3.72 0.03 0.00 0.52 0.00 0.00 54.79 51.44 1wm4 n ASP 6 Cb 0.53 -0.91 0.16 0.00 -0.72 0.00 0.00 41.12 40.18 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 1.57 0.00 -0.97 -0.67 2.10 -1.95 0.39 116.57 117.05 1wm4 h LYS 7 Ca 0.61 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 59.39 1wm4 h LYS 7 Cb 1.69 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.93 1wm4 h LYS 7 CO 1.36 0.00 0.59 1.49 -2.00 0.00 0.00 179.45 180.90 1wm4 h GLU 8 N 0.00 0.89 0.40 0.07 4.81 -1.95 0.33 114.58 119.13 1wm4 h GLU 8 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1wm4 h GLU 8 Cb 1.39 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1wm4 h GLU 8 CO 0.00 0.59 -0.19 0.00 -0.73 0.00 0.00 179.01 178.67 1wm4 h ALA 9 N 1.54 -0.73 -0.69 2.92 0.00 -0.60 -2.82 119.26 118.88 1wm4 h ALA 9 Ca 0.49 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.41 1wm4 h ALA 9 Cb 0.53 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1wm4 h ALA 9 CO -0.28 -0.70 -0.31 0.00 0.00 0.00 0.00 179.25 177.96 1wm4 h ARG 11 N -0.10 -0.23 -0.99 0.00 2.43 -0.37 1.91 114.38 117.03 1wm4 h ARG 11 Ca 0.28 0.02 0.35 0.00 -0.81 0.00 0.00 59.98 59.82 1wm4 h ARG 11 Cb 0.56 0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 30.00 1wm4 h ARG 11 CO -0.75 -0.15 0.49 0.00 -1.51 0.00 0.00 179.97 178.05 1wm4 h ALA 12 N 0.21 1.95 0.10 2.80 0.00 -0.79 0.28 119.26 123.81 1wm4 h ALA 12 Ca 0.11 0.24 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 1wm4 h ALA 12 Cb 0.53 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1wm4 h ALA 12 CO -0.74 -0.73 -1.66 0.00 0.00 0.00 0.00 179.25 176.12 1wm4 h ALA 13 N 1.92 0.38 -0.09 0.00 0.00 0.50 -2.99 119.26 118.97 1wm4 h ALA 13 Ca 0.76 -1.22 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1wm4 h ALA 13 Cb 1.85 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 20.03 1wm4 h ALA 13 CO -0.70 1.24 -0.12 -0.92 0.00 0.00 0.00 179.25 178.75 1wm4 h TYR 14 N 0.06 -0.35 -0.00 0.00 3.20 0.64 1.49 116.97 121.99 1wm4 h TYR 14 Ca -0.29 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.41 1wm4 h TYR 14 Cb 2.02 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 40.45 1wm4 h TYR 14 CO 0.06 -0.10 -0.85 -0.91 -1.64 0.00 0.00 178.16 174.72 1wm4 h ASN 15 N -0.08 0.25 0.55 -2.11 -0.26 -1.69 -3.12 115.58 109.13 1wm4 h ASN 15 Ca 0.02 -0.20 -0.08 0.00 -0.56 0.00 0.00 56.30 55.48 1wm4 h ASN 15 Cb 0.12 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1wm4 h ASN 15 CO -0.13 0.99 -0.36 0.25 -1.06 0.00 0.00 177.43 177.12 1wm4 h LEU 16 N 0.11 0.00 0.00 1.61 5.85 -1.32 -1.91 115.31 119.65 1wm4 h LEU 16 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1wm4 h LEU 16 Cb 1.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1wm4 h LEU 16 CO 0.13 0.36 0.01 0.52 -0.34 0.00 0.00 178.44 179.12 1wm4 n VAL 17 N -3.81 0.31 0.41 1.05 0.31 0.51 0.13 118.33 117.23 1wm4 n VAL 17 Ca -0.01 0.08 0.06 0.00 -0.01 0.00 0.00 64.34 64.46 1wm4 n VAL 17 Cb 0.44 -1.08 0.06 0.00 -0.91 0.00 0.00 33.84 32.34 1wm4 n VAL 17 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1wm4 n ARG 18 N -1.05 0.86 -2.88 5.55 0.63 -0.72 -4.86 116.66 114.20 1wm4 n ARG 18 Ca 0.00 -1.29 -0.26 0.00 -0.92 0.00 0.00 57.85 55.38 1wm4 n ARG 18 Cb 0.01 -1.23 -0.01 0.00 0.45 0.00 0.00 32.46 31.68 1wm4 n ARG 18 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wm4 s ASP 19 N -0.97 6.28 -0.18 6.15 1.01 0.35 -4.96 116.67 124.34 1wm4 s ASP 19 Ca 0.15 0.78 0.07 0.00 0.71 0.00 0.00 52.55 54.26 1wm4 s ASP 19 Cb 0.10 -2.18 0.50 0.00 1.01 0.00 0.00 42.92 42.35 1wm4 s ASP 19 CO 0.15 -0.48 1.35 0.47 0.21 0.00 0.00 175.17 176.87 1wm4 n ASP 20 N -2.08 3.88 0.00 0.27 9.92 -1.26 -4.25 116.55 123.03 1wm4 n ASP 20 Ca -0.01 -2.68 0.00 0.00 -0.53 0.00 0.00 54.79 51.56 1wm4 n ASP 20 Cb 0.55 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wm4 n GLY 21 N 0.18 0.03 0.38 0.44 0.00 -1.26 -4.79 105.19 100.17 1wm4 n GLY 21 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 1wm4 n GLY 21 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wm4 h SER 22 N 0.00 -1.36 0.00 1.61 0.02 -1.86 -3.43 113.55 108.53 1wm4 h SER 22 Ca 0.00 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1wm4 h SER 22 Cb 0.00 0.72 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1wm4 h SER 22 CO 0.00 -0.29 0.00 0.00 -1.14 0.00 0.00 176.83 175.40 1wm4 n ALA 23 N -3.42 0.00 -1.52 3.77 0.00 -1.26 -4.89 120.51 113.19 1wm4 n ALA 23 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1wm4 n ALA 23 Cb 0.40 -0.02 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 1wm4 n ALA 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wm4 n VAL 24 N -1.94 -0.00 -0.26 0.00 3.14 -1.26 -4.72 118.33 113.28 1wm4 n VAL 24 Ca 0.00 -0.47 -0.04 0.00 -2.96 0.00 0.00 64.34 60.87 1wm4 n VAL 24 Cb 0.00 -0.72 0.02 0.00 -1.06 0.00 0.00 33.84 32.08 1wm4 n VAL 24 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1wm4 h ILE 25 N 7.31 0.12 -4.18 1.55 2.10 -1.69 -3.44 117.51 119.28 1wm4 h ILE 25 Ca 0.01 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.80 1wm4 h ILE 25 Cb 1.11 0.12 -0.13 0.00 -1.09 0.00 0.00 36.82 36.83 1wm4 h ILE 25 CO 1.41 0.00 -0.47 -1.66 -1.08 0.00 0.00 178.15 176.36 1wm4 s TRP 26 N -5.98 0.70 -0.01 2.19 1.48 -1.20 -3.96 118.94 112.16 1wm4 s TRP 26 Ca -0.14 -1.04 0.01 0.00 -1.06 0.00 0.00 56.10 53.87 1wm4 s TRP 26 Cb 0.17 -0.27 -0.00 0.00 -1.16 0.00 0.00 33.47 32.21 1wm4 s TRP 26 CO 0.70 -0.67 -0.04 0.14 -4.06 0.00 0.00 176.95 173.02 1wm4 s VAL 27 N -4.04 0.37 -0.00 -0.66 -7.23 -1.24 -2.70 120.40 104.90 1wm4 s VAL 27 Ca 0.24 -0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.29 1wm4 s VAL 27 Cb 0.05 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.65 1wm4 s VAL 27 CO 0.04 0.11 -0.19 0.42 -0.31 0.00 0.00 175.10 175.18 1wm4 s THR 28 N 0.01 1.47 0.25 5.32 -4.23 -1.15 -3.80 115.64 113.51 1wm4 s THR 28 Ca 0.00 -0.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.74 1wm4 s THR 28 Cb -0.03 -1.24 -0.05 0.00 1.34 0.00 0.00 72.50 72.52 1wm4 s THR 28 CO -0.00 0.35 -0.15 0.72 -0.54 0.00 0.00 174.62 175.00 1wm4 s PHE 29 N -0.52 2.03 0.02 3.99 -0.71 -1.26 -1.78 117.98 119.76 1wm4 s PHE 29 Ca 0.07 -0.48 0.01 0.00 -1.04 0.00 0.00 56.93 55.49 1wm4 s PHE 29 Cb -0.07 -0.96 -0.02 0.00 -1.21 0.00 0.00 43.02 40.77 1wm4 s PHE 29 CO -0.00 0.52 -0.05 -0.98 -1.34 0.00 0.00 175.22 173.37 1wm4 s ARG 30 N -3.59 0.36 -0.54 1.99 1.70 -1.09 -3.73 118.95 114.04 1wm4 s ARG 30 Ca 0.27 -0.49 -0.26 0.00 -0.47 0.00 0.00 55.73 54.78 1wm4 s ARG 30 Cb -0.02 -0.14 -0.08 0.00 -0.57 0.00 0.00 34.95 34.14 1wm4 s ARG 30 CO 0.12 0.02 2.42 0.66 -1.08 0.00 0.00 175.30 177.44 1wm4 n TYR 31 N 2.02 1.38 -3.15 5.89 4.02 -1.26 -3.46 117.16 122.60 1wm4 n TYR 31 Ca -0.20 0.10 -0.44 0.00 -0.01 0.00 0.00 57.90 57.35 1wm4 n TYR 31 Cb 0.56 -2.63 -0.05 0.00 -0.02 0.00 0.00 39.34 37.20 1wm4 n TYR 31 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1wm4 s ASP 32 N 12.04 6.20 1.35 7.72 -4.77 0.44 -4.87 116.67 134.78 1wm4 s ASP 32 Ca 0.98 -1.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.97 1wm4 s ASP 32 Cb -0.18 -2.29 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 1wm4 s ASP 32 CO 0.24 -1.01 0.00 0.61 0.70 0.00 0.00 175.17 175.71 1wm4 n GLY 33 N 5.24 2.98 1.35 2.12 0.00 -1.26 -2.75 105.19 112.86 1wm4 n GLY 33 Ca -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 10.37 4.23 -3.05 4.61 0.00 -1.26 -4.99 120.51 130.42 1wm4 n ALA 34 Ca 0.00 -2.83 -0.11 0.00 0.00 0.00 0.00 53.44 50.50 1wm4 n ALA 34 Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.13 0.09 -0.43 0.00 2.01 -1.11 -3.83 115.64 109.23 1wm4 s THR 35 Ca 0.47 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 1wm4 s THR 35 Cb 0.41 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 72.40 1wm4 s THR 35 CO 0.05 -0.40 0.32 -0.63 -0.69 0.00 0.00 174.62 173.27 1wm4 s ILE 36 N -1.68 5.01 0.05 1.82 1.09 -0.95 -0.42 121.20 126.13 1wm4 s ILE 36 Ca -0.12 -0.97 0.02 0.00 -1.10 0.00 0.00 60.65 58.48 1wm4 s ILE 36 Cb -0.06 -3.92 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 1wm4 s ILE 36 CO 0.01 -0.44 -0.08 0.68 -0.10 0.00 0.00 174.94 175.00 1wm4 s VAL 37 N 1.61 0.60 0.11 2.92 -7.23 -1.23 -1.43 120.40 115.75 1wm4 s VAL 37 Ca 0.04 -1.25 -0.17 0.00 -1.81 0.00 0.00 61.98 58.79 1wm4 s VAL 37 Cb -0.22 -0.82 -0.10 0.00 0.56 0.00 0.00 36.38 35.79 1wm4 s VAL 37 CO 0.07 -0.46 0.34 -2.65 -0.31 0.00 0.00 175.10 172.09 1wm4 n PRO 38 N 1.18 0.00 0.00 4.82 -0.02 -1.26 -2.68 135.00 137.04 1wm4 n PRO 38 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1wm4 n PRO 38 Cb 0.56 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 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 1.16 0.00 3.03 -1.23 0.00 -0.74 -4.65 105.19 102.76 1wm4 n GLY 39 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.29 -0.85 -1.03 1.61 8.00 -0.86 -5.01 116.55 117.11 1wm4 n ASP 40 Ca 0.00 -2.95 -0.00 0.00 0.71 0.00 0.00 54.79 52.55 1wm4 n ASP 40 Cb 0.10 1.82 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 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 -0.57 0.02 -3.63 -1.24 -0.00 -1.26 -2.93 117.38 107.76 1wm4 n GLN 41 Ca 0.05 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.00 56.92 1wm4 n GLN 41 Cb 0.56 0.05 -0.07 0.00 -0.00 0.00 0.00 30.24 30.78 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 -1.04 -0.15 0.00 2.61 0.00 -1.10 -4.82 107.32 102.82 1wm4 s GLY 42 Ca 0.00 2.65 0.11 0.00 0.00 0.00 0.00 44.72 47.48 1wm4 s GLY 42 CO 0.00 1.79 0.66 0.00 0.00 0.00 0.00 173.10 175.55 1wm4 n ALA 43 N 2.11 2.89 -3.75 3.20 0.00 -1.26 -2.67 120.51 121.03 1wm4 n ALA 43 Ca -0.12 -0.45 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 1wm4 n ALA 43 Cb 0.56 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1wm4 n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wm4 s ASP 44 N -1.44 -0.05 0.01 0.00 1.11 -1.26 -4.30 116.67 110.74 1wm4 s ASP 44 Ca 0.09 -0.96 -0.21 0.00 0.18 0.00 0.00 52.55 51.65 1wm4 s ASP 44 Cb 0.09 0.79 -0.18 0.00 1.07 0.00 0.00 42.92 44.68 1wm4 s ASP 44 CO 0.27 -1.53 1.23 0.22 1.18 0.00 0.00 175.17 176.55 1wm4 h TYR 45 N 2.02 0.41 -1.67 4.23 3.20 -2.01 -3.06 116.97 120.09 1wm4 h TYR 45 Ca -0.27 -0.16 0.48 0.00 3.14 0.00 0.00 58.73 61.92 1wm4 h TYR 45 Cb 1.25 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.38 1wm4 h TYR 45 CO 0.99 0.85 1.26 1.96 -1.64 0.00 0.00 178.16 181.58 1wm4 h GLN 46 N -0.15 0.00 -0.12 1.82 1.08 -2.02 0.82 115.11 116.54 1wm4 h GLN 46 Ca -0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1wm4 h GLN 46 Cb 0.85 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1wm4 h GLN 46 CO 0.05 0.00 -0.01 1.25 -0.95 0.00 0.00 178.83 179.17 1wm4 h HIS 47 N 0.00 0.25 -1.36 2.96 2.76 -1.93 -2.27 115.15 115.56 1wm4 h HIS 47 Ca 0.79 -0.05 0.40 0.00 -2.20 0.00 0.00 60.37 59.31 1wm4 h HIS 47 Cb 3.29 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 32.14 1wm4 h HIS 47 CO 0.00 0.48 1.15 0.27 -1.30 0.00 0.00 177.93 178.53 1wm4 h PHE 48 N -0.06 0.00 -0.01 5.26 -5.15 0.54 0.74 116.94 118.26 1wm4 h PHE 48 Ca 0.03 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.69 1wm4 h PHE 48 Cb 0.39 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.57 1wm4 h PHE 48 CO 0.04 0.00 -0.44 0.82 -2.00 0.00 0.00 178.31 176.73 1wm4 h ILE 49 N 0.00 1.46 -0.04 0.88 2.04 -1.43 0.89 117.51 121.31 1wm4 h ILE 49 Ca 0.65 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1wm4 h ILE 49 Cb 2.94 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 41.62 1wm4 h ILE 49 CO -0.01 0.56 0.00 1.67 0.00 0.00 0.00 178.15 180.38 1wm4 n GLN 50 N -4.34 1.12 -0.00 2.37 0.00 0.23 -2.90 117.38 113.85 1wm4 n GLN 50 Ca -0.10 -0.18 0.00 0.00 -0.00 0.00 0.00 57.00 56.72 1wm4 n GLN 50 Cb 0.59 -1.12 -0.00 0.00 0.00 0.00 0.00 30.24 29.71 1wm4 n GLN 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1wm4 n GLN 51 N -0.43 0.92 -2.23 3.69 1.13 0.40 -5.02 117.38 115.84 1wm4 n GLN 51 Ca 0.05 -0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.71 1wm4 n GLN 51 Cb 0.06 -1.00 -0.02 0.00 0.11 0.00 0.00 30.24 29.38 1wm4 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wm4 s THR 53 N -1.21 -0.88 -1.95 0.00 -4.23 -1.26 -4.98 115.64 101.12 1wm4 s THR 53 Ca 0.50 0.01 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 1wm4 s THR 53 Cb -0.36 -0.92 0.18 0.00 1.34 0.00 0.00 72.50 72.74 1wm4 s THR 53 CO 0.47 -0.01 0.87 -0.90 -0.54 0.00 0.00 174.62 174.51 1wm4 n ASP 54 N 5.42 0.00 -0.95 3.99 5.68 -1.26 -1.06 116.55 128.36 1wm4 n ASP 54 Ca -0.06 -0.17 0.08 0.00 -0.50 0.00 0.00 54.79 54.15 1wm4 n ASP 54 Cb 0.50 -0.03 0.26 0.00 -1.14 0.00 0.00 41.12 40.72 1wm4 n ASP 54 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wm4 n ASP 55 N -1.03 3.96 -4.06 -1.12 8.00 -1.26 0.33 116.55 121.37 1wm4 n ASP 55 Ca 0.05 -2.93 -0.10 0.00 0.71 0.00 0.00 54.79 52.52 1wm4 n ASP 55 Cb 0.03 -0.53 -0.08 0.00 -0.02 0.00 0.00 41.12 40.51 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wm4 s VAL 56 N -2.67 0.07 -0.01 2.53 0.11 -0.23 -4.53 120.40 115.67 1wm4 s VAL 56 Ca 0.42 -1.66 0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1wm4 s VAL 56 Cb 0.33 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.17 1wm4 s VAL 56 CO 0.10 -0.30 -0.03 0.00 -3.33 0.00 0.00 175.10 171.54 1wm4 s ARG 57 N -4.02 0.36 -0.01 1.54 1.70 -1.26 -0.28 118.95 116.98 1wm4 s ARG 57 Ca 0.23 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.11 1wm4 s ARG 57 Cb 0.05 -0.40 0.11 0.00 -0.57 0.00 0.00 34.95 34.14 1wm4 s ARG 57 CO 0.03 0.01 1.14 -0.48 -1.08 0.00 0.00 175.30 174.92 1wm4 s LEU 58 N 0.28 -0.14 0.18 -1.89 0.05 -0.70 -4.58 118.68 111.88 1wm4 s LEU 58 Ca -0.03 -0.15 0.03 0.00 0.05 0.00 0.00 54.13 54.03 1wm4 s LEU 58 Cb -0.06 1.65 -0.03 0.00 -2.05 0.00 0.00 46.19 45.70 1wm4 s LEU 58 CO -0.01 -0.47 0.31 -0.36 -0.55 0.00 0.00 176.35 175.28 1wm4 s PHE 59 N -2.72 3.47 0.12 3.48 0.08 -1.24 0.47 117.98 121.64 1wm4 s PHE 59 Ca 0.12 0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.30 1wm4 s PHE 59 Cb 0.01 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1wm4 s PHE 59 CO -0.03 0.49 -0.17 0.00 -0.10 0.00 0.00 175.22 175.41 1wm4 s ALA 60 N -1.83 1.62 -0.32 5.36 0.00 0.58 -4.03 121.76 123.13 1wm4 s ALA 60 Ca 0.34 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1wm4 s ALA 60 Cb -0.10 -0.15 0.14 0.00 0.00 0.00 0.00 23.12 23.01 1wm4 s ALA 60 CO 0.29 0.21 0.30 0.12 0.00 0.00 0.00 175.76 176.68 1wm4 s PHE 61 N -1.69 -0.24 0.15 0.00 2.19 -1.25 0.12 117.98 117.26 1wm4 s PHE 61 Ca 0.07 -0.57 0.10 0.00 0.33 0.00 0.00 56.93 56.87 1wm4 s PHE 61 Cb -0.07 -0.52 -0.04 0.00 -1.31 0.00 0.00 43.02 41.07 1wm4 s PHE 61 CO 0.04 -0.92 -0.24 0.54 1.83 0.00 0.00 175.22 176.46 1wm4 s VAL 62 N 1.93 2.16 -0.30 3.12 0.11 -1.21 -3.70 120.40 122.51 1wm4 s VAL 62 Ca 0.12 -1.81 -0.18 0.00 -2.93 0.00 0.00 61.98 57.18 1wm4 s VAL 62 Cb -0.15 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.74 1wm4 s VAL 62 CO -0.21 -0.03 0.53 -0.60 -3.33 0.00 0.00 175.10 171.46 1wm4 s ARG 63 N -2.27 3.86 0.17 1.54 3.52 -1.25 -3.64 118.95 120.89 1wm4 s ARG 63 Ca 0.15 0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 1wm4 s ARG 63 Cb -0.09 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1wm4 s ARG 63 CO 0.07 -0.50 0.32 -0.06 -0.81 0.00 0.00 175.30 174.31 1wm4 s PHE 64 N 2.39 3.48 0.39 5.12 0.08 -0.69 -4.88 117.98 123.86 1wm4 s PHE 64 Ca 0.21 0.13 -0.24 0.00 0.12 0.00 0.00 56.93 57.15 1wm4 s PHE 64 Cb -0.15 -1.68 -0.10 0.00 -0.57 0.00 0.00 43.02 40.52 1wm4 s PHE 64 CO 0.11 0.48 0.99 0.99 -0.10 0.00 0.00 175.22 177.69 1wm4 s THR 65 N -1.81 4.03 -0.08 0.64 2.01 -1.26 0.12 115.64 119.29 1wm4 s THR 65 Ca 0.35 1.51 0.10 0.00 0.31 0.00 0.00 61.69 63.96 1wm4 s THR 65 Cb -0.11 -3.76 -0.14 0.00 0.01 0.00 0.00 72.50 68.51 1wm4 s THR 65 CO 0.29 -0.03 0.09 0.41 -0.69 0.00 0.00 174.62 174.69 1wm4 n THR 66 N -0.04 0.52 -3.97 -0.82 -1.04 -1.26 -4.64 114.28 103.03 1wm4 n THR 66 Ca 0.05 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.05 61.39 1wm4 n THR 66 Cb 0.51 -0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 68.54 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 2.23 -0.32 0.10 3.41 0.00 -1.26 -4.60 105.19 104.75 1wm4 n GLY 67 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.90 0.00 -4.54 1.61 8.00 -1.26 -5.06 116.55 112.39 1wm4 n ASP 68 Ca -0.17 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.95 1wm4 n ASP 68 Cb 0.62 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.86 0.74 0.00 2.24 0.00 -1.26 -4.70 120.51 116.67 1wm4 n ALA 69 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1wm4 n ALA 69 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.41 1wm4 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wm4 n MET 70 N 8.90 0.00 -1.57 0.00 0.00 -1.26 -3.55 117.12 119.65 1wm4 n MET 70 Ca 0.42 0.18 -0.38 0.00 0.00 0.00 0.00 57.70 57.91 1wm4 n MET 70 Cb 0.46 -1.57 -0.03 0.00 0.00 0.00 0.00 33.22 32.08 1wm4 n MET 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1wm4 s SER 71 N -2.23 4.76 0.00 3.17 0.01 -1.26 -2.28 113.70 115.87 1wm4 s SER 71 Ca 0.00 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1wm4 s SER 71 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1wm4 s SER 71 CO 0.00 -2.58 0.00 0.29 0.41 0.00 0.00 173.24 171.36 1wm4 n LYS 72 N 8.93 -0.99 -3.69 12.44 4.01 -1.26 -3.26 118.16 134.34 1wm4 n LYS 72 Ca 0.34 0.17 -0.22 0.00 -0.51 0.00 0.00 58.31 58.10 1wm4 n LYS 72 Cb 0.52 -3.81 0.00 0.00 -0.51 0.00 0.00 35.03 31.22 1wm4 n LYS 72 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wm4 n ARG 73 N -0.20 -1.53 0.00 1.97 1.74 -0.96 -4.93 116.66 112.75 1wm4 n ARG 73 Ca 0.00 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1wm4 n ARG 73 Cb 0.17 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wm4 n SER 74 N -2.46 0.00 -4.85 0.55 7.64 -1.20 -4.71 113.62 108.59 1wm4 n SER 74 Ca -0.28 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.39 1wm4 n SER 74 Cb 0.67 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.83 1wm4 n SER 74 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wm4 s LYS 75 N -1.50 2.90 -0.07 1.43 2.47 0.32 -4.79 119.74 120.51 1wm4 s LYS 75 Ca 0.00 -1.11 0.00 0.00 -1.56 0.00 0.00 55.97 53.30 1wm4 s LYS 75 Cb 0.00 -2.57 0.02 0.00 -1.46 0.00 0.00 37.83 33.82 1wm4 s LYS 75 CO 0.00 0.29 -0.04 -0.06 0.16 0.00 0.00 175.35 175.70 1wm4 s PHE 76 N -2.18 0.96 0.07 4.03 0.08 -1.26 -1.71 117.98 117.97 1wm4 s PHE 76 Ca 0.36 -0.35 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 1wm4 s PHE 76 Cb -0.07 -0.87 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1wm4 s PHE 76 CO 0.26 -0.31 0.13 0.00 -0.10 0.00 0.00 175.22 175.19 1wm4 s ALA 77 N 1.40 -0.03 0.10 5.36 0.00 -1.24 -1.68 121.76 125.67 1wm4 s ALA 77 Ca -0.03 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.24 1wm4 s ALA 77 Cb -0.13 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1wm4 s ALA 77 CO -0.03 -0.45 -0.06 -1.17 0.00 0.00 0.00 175.76 174.05 1wm4 s LEU 78 N -2.79 3.21 0.03 0.00 2.96 -1.22 -3.30 118.68 117.57 1wm4 s LEU 78 Ca 0.04 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1wm4 s LEU 78 Cb 0.05 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1wm4 s LEU 78 CO -0.10 0.17 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.32 1wm4 s ILE 79 N -1.26 1.20 -0.12 6.68 1.09 0.33 0.27 121.20 129.39 1wm4 s ILE 79 Ca 0.23 -0.92 -0.04 0.00 -1.10 0.00 0.00 60.65 58.82 1wm4 s ILE 79 Cb -0.11 -1.05 -0.04 0.00 -1.06 0.00 0.00 42.46 40.20 1wm4 s ILE 79 CO 0.16 0.12 0.04 -0.89 -0.10 0.00 0.00 174.94 174.26 1wm4 s THR 80 N -0.70 4.59 -0.29 2.92 2.01 -0.69 0.22 115.64 123.69 1wm4 s THR 80 Ca 0.04 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1wm4 s THR 80 Cb -0.07 -2.98 0.05 0.00 0.01 0.00 0.00 72.50 69.50 1wm4 s THR 80 CO 0.01 0.57 -0.01 0.86 -0.69 0.00 0.00 174.62 175.36 1wm4 s TRP 81 N -0.57 3.24 -0.65 4.92 -0.11 0.18 -1.70 118.94 124.25 1wm4 s TRP 81 Ca 0.10 -1.83 -0.09 0.00 1.22 0.00 0.00 56.10 55.50 1wm4 s TRP 81 Cb -0.12 -2.10 0.17 0.00 -1.50 0.00 0.00 33.47 29.92 1wm4 s TRP 81 CO 0.02 -0.79 0.53 0.42 -4.62 0.00 0.00 176.95 172.51 1wm4 s ILE 82 N 1.26 4.59 0.80 5.86 -1.09 -1.24 -1.72 121.20 129.66 1wm4 s ILE 82 Ca -0.05 -2.39 -0.13 0.00 -2.23 0.00 0.00 60.65 55.85 1wm4 s ILE 82 Cb -0.19 -3.93 0.08 0.00 -1.58 0.00 0.00 42.46 36.84 1wm4 s ILE 82 CO -0.01 -0.90 1.21 0.61 -1.23 0.00 0.00 174.94 174.61 1wm4 n GLY 83 N 4.14 0.01 2.40 6.18 0.00 0.62 -4.85 105.19 113.69 1wm4 n GLY 83 Ca 0.04 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1wm4 n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wm4 n GLU 84 N -3.25 2.96 -0.42 1.61 4.07 1.00 -4.35 120.64 122.27 1wm4 n GLU 84 Ca 0.14 -3.63 0.00 0.00 -0.06 0.00 0.00 57.16 53.61 1wm4 n GLU 84 Cb 0.50 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1wm4 n ASP 85 N -0.76 0.00 -4.95 4.31 2.03 -1.07 -4.88 116.55 111.22 1wm4 n ASP 85 Ca 0.55 -0.91 -0.23 0.00 0.52 0.00 0.00 54.79 54.72 1wm4 n ASP 85 Cb 0.64 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.05 1wm4 n ASP 85 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wm4 s VAL 86 N 0.00 3.93 1.05 5.18 1.01 -1.26 -4.89 120.40 125.43 1wm4 s VAL 86 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1wm4 s VAL 86 Cb 0.00 -3.47 0.22 0.00 0.00 0.00 0.00 36.38 33.13 1wm4 s VAL 86 CO 0.00 -0.35 1.08 -0.94 0.00 0.00 0.00 175.10 174.89 1wm4 s SER 87 N -4.23 2.09 0.23 3.32 1.04 -1.26 -4.93 113.70 109.95 1wm4 s SER 87 Ca 0.49 1.23 0.24 0.00 0.48 0.00 0.00 55.95 58.40 1wm4 s SER 87 Cb -0.10 -1.93 0.44 0.00 0.10 0.00 0.00 66.02 64.53 1wm4 s SER 87 CO 0.39 -3.47 1.48 1.23 0.98 0.00 0.00 173.24 173.85 1wm4 h GLY 88 N -2.12 0.00 0.00 7.32 0.00 -2.00 -3.34 103.07 102.93 1wm4 h GLY 88 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1wm4 h GLY 88 CO 0.56 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.14 1wm4 n LEU 89 N -2.44 0.01 0.02 3.11 4.77 -1.26 -2.65 117.00 118.55 1wm4 n LEU 89 Ca 0.04 0.95 0.22 0.00 -0.03 0.00 0.00 56.01 57.19 1wm4 n LEU 89 Cb 0.47 -0.49 0.73 0.00 -2.33 0.00 0.00 43.42 41.80 1wm4 n LEU 89 CO 0.35 -0.49 1.20 1.56 -1.33 0.00 0.00 177.39 178.68 1wm4 h GLN 90 N 0.00 0.00 0.22 3.23 4.20 -1.97 -2.17 115.11 118.62 1wm4 h GLN 90 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1wm4 h GLN 90 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1wm4 h GLN 90 CO 0.00 0.00 -0.51 -0.09 -0.67 0.00 0.00 178.83 177.56 1wm4 h ARG 91 N 0.00 -0.78 0.00 1.46 1.12 -1.62 0.43 114.38 114.99 1wm4 h ARG 91 Ca 0.25 0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.17 1wm4 h ARG 91 Cb 1.24 0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 31.38 1wm4 h ARG 91 CO -0.00 -0.52 -0.04 0.00 -3.11 0.00 0.00 179.97 176.30 1wm4 h ALA 92 N -0.56 1.26 -0.01 2.80 0.00 -1.35 -2.57 119.26 118.84 1wm4 h ALA 92 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wm4 h ALA 92 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wm4 h ALA 92 CO -0.22 0.05 -0.14 -0.22 0.00 0.00 0.00 179.25 178.71 1wm4 h LYS 93 N 0.00 0.11 -0.82 0.00 1.63 -0.84 -3.18 116.57 113.47 1wm4 h LYS 93 Ca -0.00 -0.11 0.20 0.00 -0.85 0.00 0.00 60.65 59.89 1wm4 h LYS 93 Cb 0.15 0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 31.68 1wm4 h LYS 93 CO 0.01 0.83 0.13 1.15 -3.45 0.00 0.00 179.45 178.12 1wm4 h THR 94 N -0.56 0.33 0.36 1.00 2.02 0.17 0.36 112.91 116.59 1wm4 h THR 94 Ca -0.02 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1wm4 h THR 94 Cb 0.87 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1wm4 h THR 94 CO 0.03 0.03 -0.45 1.23 0.37 0.00 0.00 175.52 176.73 1wm4 h GLY 95 N 0.17 -1.05 0.84 2.16 0.00 -1.57 1.06 103.07 104.68 1wm4 h GLY 95 Ca 0.49 0.53 -0.02 0.00 0.00 0.00 0.00 47.33 48.33 1wm4 h GLY 95 CO -0.66 -0.33 0.04 -0.84 0.00 0.00 0.00 176.54 174.76 1wm4 h THR 96 N -0.85 1.21 -0.16 4.70 2.02 -1.12 -3.08 112.91 115.62 1wm4 h THR 96 Ca -0.03 -0.68 -0.13 0.00 0.77 0.00 0.00 66.41 66.35 1wm4 h THR 96 Cb 0.78 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1wm4 h THR 96 CO -0.12 0.21 -0.40 0.44 0.37 0.00 0.00 175.52 176.03 1wm4 h ASP 97 N 0.12 0.62 -0.34 4.18 3.32 -0.23 -2.93 116.42 121.16 1wm4 h ASP 97 Ca 0.06 -0.57 0.10 0.00 0.02 0.00 0.00 57.03 56.63 1wm4 h ASP 97 Cb 0.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1wm4 h ASP 97 CO 0.00 1.09 0.35 0.07 -1.72 0.00 0.00 179.24 179.02 1wm4 h LYS 98 N 0.19 0.00 0.00 3.56 5.09 0.11 0.67 116.57 126.19 1wm4 h LYS 98 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.59 1wm4 h LYS 98 Cb 1.01 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.31 1wm4 h LYS 98 CO 0.09 0.00 -0.72 1.15 -2.09 0.00 0.00 179.45 177.88 1wm4 h THR 99 N 0.00 1.25 0.53 0.07 2.02 -1.43 -2.60 112.91 112.75 1wm4 h THR 99 Ca 0.16 -2.71 -0.03 0.00 0.77 0.00 0.00 66.41 64.60 1wm4 h THR 99 Cb 0.85 2.58 0.01 0.00 -1.74 0.00 0.00 68.15 69.85 1wm4 h THR 99 CO -0.00 0.70 -0.25 -0.07 0.37 0.00 0.00 175.52 176.27 1wm4 h LEU 100 N 0.00 -0.60 -1.81 2.58 3.38 0.50 -2.38 115.31 116.98 1wm4 h LEU 100 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wm4 h LEU 100 Cb 1.53 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1wm4 h LEU 100 CO 0.09 -0.19 -0.11 1.62 0.09 0.00 0.00 178.44 179.94 1wm4 h VAL 101 N -1.15 1.02 -0.49 1.22 3.04 -1.55 -2.12 116.25 116.23 1wm4 h VAL 101 Ca -0.07 -0.40 -0.10 0.00 -1.01 0.00 0.00 66.70 65.12 1wm4 h VAL 101 Cb 0.58 1.22 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 1wm4 h VAL 101 CO 0.12 0.11 -0.09 0.50 -1.01 0.00 0.00 177.57 177.20 1wm4 h LYS 102 N 0.00 0.88 0.00 4.17 3.64 -1.44 -2.35 116.57 121.47 1wm4 h LYS 102 Ca -0.00 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1wm4 h LYS 102 Cb 0.21 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1wm4 h LYS 102 CO 0.01 0.93 -0.16 0.93 -2.27 0.00 0.00 179.45 178.90 1wm4 h GLU 103 N 0.79 0.00 -1.02 1.90 4.39 -0.83 -2.50 114.58 117.32 1wm4 h GLU 103 Ca 0.13 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.66 1wm4 h GLU 103 Cb 0.60 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.14 1wm4 h GLU 103 CO 0.04 0.16 0.23 0.28 -1.16 0.00 0.00 179.01 178.55 1wm4 n VAL 104 N -3.51 1.77 -3.44 3.13 0.31 -0.89 -4.86 118.33 110.85 1wm4 n VAL 104 Ca -0.01 -0.67 -0.38 0.00 -0.01 0.00 0.00 64.34 63.27 1wm4 n VAL 104 Cb 0.31 -0.84 -0.08 0.00 -0.91 0.00 0.00 33.84 32.33 1wm4 n VAL 104 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wm4 s VAL 105 N -1.13 5.24 0.00 2.52 0.11 -0.94 -4.90 120.40 121.29 1wm4 s VAL 105 Ca 0.19 0.63 0.03 0.00 -2.93 0.00 0.00 61.98 59.91 1wm4 s VAL 105 Cb 0.16 -3.69 0.05 0.00 -1.53 0.00 0.00 36.38 31.37 1wm4 s VAL 105 CO 0.04 0.29 0.81 0.00 -3.33 0.00 0.00 175.10 172.91 1wm4 n GLN 106 N 4.23 0.00 -2.76 1.54 10.64 -1.26 -4.93 117.38 124.84 1wm4 n GLN 106 Ca -0.10 -0.70 -0.01 0.00 -1.83 0.00 0.00 57.00 54.37 1wm4 n GLN 106 Cb 0.51 -0.07 0.08 0.00 -0.86 0.00 0.00 30.24 29.91 1wm4 n GLN 106 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1wm4 n ASN 107 N 0.06 0.28 -0.57 2.61 4.13 -1.26 -5.12 115.26 115.39 1wm4 n ASN 107 Ca -0.04 -2.10 0.00 0.00 1.68 0.00 0.00 54.58 54.12 1wm4 n ASN 107 Cb 0.67 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.92 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 -1.00 -0.26 -0.01 3.10 -1.74 -1.26 -4.86 117.46 111.43 1wm4 n PHE 108 Ca -0.04 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.83 1wm4 n PHE 108 Cb 0.83 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.83 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 2.83 -3.38 1.98 0.00 -0.68 -4.94 120.51 113.32 1wm4 n ALA 109 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1wm4 n ALA 109 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.05 1.17 0.25 0.00 2.20 -1.25 -5.10 119.74 114.96 1wm4 s LYS 110 Ca -0.04 -0.31 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 1wm4 s LYS 110 Cb 0.01 0.54 -0.03 0.00 -1.51 0.00 0.00 37.83 36.84 1wm4 s LYS 110 CO 0.05 -0.47 0.22 -2.00 -0.36 0.00 0.00 175.35 172.79 1wm4 s GLU 111 N -3.02 3.01 0.12 4.03 -6.30 -1.26 -3.40 118.70 111.88 1wm4 s GLU 111 Ca -0.02 -1.00 0.01 0.00 -2.50 0.00 0.00 54.97 51.46 1wm4 s GLU 111 Cb -0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 34.13 31.46 1wm4 s GLU 111 CO -0.06 0.41 -0.03 -0.06 0.02 0.00 0.00 175.26 175.53 1wm4 s PHE 112 N -2.09 0.96 0.13 5.30 0.08 0.14 -4.87 117.98 117.62 1wm4 s PHE 112 Ca 0.33 -0.98 0.10 0.00 0.12 0.00 0.00 56.93 56.50 1wm4 s PHE 112 Cb -0.08 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1wm4 s PHE 112 CO 0.26 -0.21 -0.25 0.08 -0.10 0.00 0.00 175.22 174.99 1wm4 s VAL 113 N -3.69 2.12 0.08 -0.44 1.01 -1.26 -1.71 120.40 116.51 1wm4 s VAL 113 Ca 0.16 -1.73 -0.00 0.00 0.00 0.00 0.00 61.98 60.41 1wm4 s VAL 113 Cb 0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1wm4 s VAL 113 CO -0.02 0.03 -0.02 -0.63 0.00 0.00 0.00 175.10 174.46 1wm4 s ILE 114 N -1.15 0.35 0.00 2.22 1.01 -0.69 -4.80 121.20 118.14 1wm4 s ILE 114 Ca 0.13 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 58.91 1wm4 s ILE 114 Cb -0.10 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1wm4 s ILE 114 CO 0.06 -0.86 0.30 -1.20 0.00 0.00 0.00 174.94 173.24 1wm4 n SER 115 N 0.02 0.00 -3.73 3.58 7.64 -1.26 -3.61 113.62 116.26 1wm4 n SER 115 Ca -0.12 -1.00 -0.12 0.00 1.01 0.00 0.00 58.87 58.65 1wm4 n SER 115 Cb 0.61 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 1wm4 n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wm4 s ASP 116 N 0.00 -0.16 0.27 6.43 -1.08 -1.26 -4.93 116.67 115.94 1wm4 s ASP 116 Ca 0.00 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 51.93 1wm4 s ASP 116 Cb 0.00 0.38 0.38 0.00 -1.46 0.00 0.00 42.92 42.22 1wm4 s ASP 116 CO 0.00 -0.65 1.64 -0.09 0.52 0.00 0.00 175.17 176.59 1wm4 h ARG 117 N 3.08 0.18 0.00 4.34 2.43 -2.00 -2.36 114.38 120.06 1wm4 h ARG 117 Ca -0.32 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1wm4 h ARG 117 Cb 1.20 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1wm4 h ARG 117 CO 0.46 0.65 0.00 0.87 -1.51 0.00 0.00 179.97 180.44 1wm4 h LYS 118 N 0.14 0.00 -0.05 0.20 6.56 -2.02 -1.29 116.57 120.11 1wm4 h LYS 118 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wm4 h LYS 118 Cb 0.96 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 1wm4 h LYS 118 CO 0.08 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.86 1wm4 n GLU 119 N -2.56 1.46 -0.80 3.15 -0.58 -0.89 -3.55 120.64 116.87 1wm4 n GLU 119 Ca 0.01 -0.67 0.06 0.00 -0.42 0.00 0.00 57.16 56.13 1wm4 n GLU 119 Cb 0.21 -1.44 0.36 0.00 -0.57 0.00 0.00 31.44 30.00 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 -0.16 5.21 -4.80 -4.62 4.77 -0.48 -4.76 117.00 112.16 1wm4 n LEU 120 Ca 0.19 -2.65 -0.33 0.00 -0.03 0.00 0.00 56.01 53.19 1wm4 n LEU 120 Cb 0.26 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1wm4 n LEU 120 CO 0.15 0.59 0.72 -1.61 -1.33 0.00 0.00 177.39 175.91 1wm4 s GLU 121 N -2.56 3.55 -0.00 3.23 0.41 -1.23 -4.96 118.70 117.13 1wm4 s GLU 121 Ca 0.48 1.26 -0.24 0.00 -0.41 0.00 0.00 54.97 56.06 1wm4 s GLU 121 Cb 0.37 -2.06 -0.18 0.00 -1.78 0.00 0.00 34.13 30.47 1wm4 s GLU 121 CO 0.14 -0.62 1.28 1.05 -0.49 0.00 0.00 175.26 176.62 1wm4 h GLU 122 N 0.93 0.13 0.00 1.61 4.11 -1.94 -2.67 114.58 116.74 1wm4 h GLU 122 Ca -0.48 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1wm4 h GLU 122 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wm4 h GLU 122 CO 0.58 0.59 0.00 -0.40 0.07 0.00 0.00 179.01 179.85 1wm4 n ASP 123 N -4.74 0.27 -0.08 3.06 5.68 -1.26 0.03 116.55 119.51 1wm4 n ASP 123 Ca -0.08 0.63 -0.20 0.00 -0.50 0.00 0.00 54.79 54.64 1wm4 n ASP 123 Cb 0.30 -0.66 -0.12 0.00 -1.14 0.00 0.00 41.12 39.49 1wm4 n ASP 123 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1wm4 h PHE 124 N 0.00 0.06 0.00 2.11 3.57 -1.85 -3.11 116.94 117.73 1wm4 h PHE 124 Ca 0.00 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 1wm4 h PHE 124 Cb 0.00 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1wm4 h PHE 124 CO 0.00 1.36 -0.47 0.82 -2.23 0.00 0.00 178.31 177.79 1wm4 h ILE 125 N -0.90 0.97 0.27 1.41 2.04 -1.05 -2.78 117.51 117.47 1wm4 h ILE 125 Ca -0.25 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 1wm4 h ILE 125 Cb 1.29 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1wm4 h ILE 125 CO -0.11 0.46 -0.13 -0.09 0.00 0.00 0.00 178.15 178.28 1wm4 h ARG 126 N 0.00 -0.34 0.00 2.37 2.43 -0.54 -2.65 114.38 115.65 1wm4 h ARG 126 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1wm4 h ARG 126 Cb 1.10 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1wm4 h ARG 126 CO 0.06 0.00 0.00 1.03 -1.51 0.00 0.00 179.97 179.55 1wm4 h SER 127 N -0.79 0.00 0.04 -3.80 0.87 -1.58 -1.96 113.55 106.33 1wm4 h SER 127 Ca -0.04 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.24 1wm4 h SER 127 Cb 0.51 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1wm4 h SER 127 CO 0.06 0.00 -1.12 -0.08 -0.53 0.00 0.00 176.83 175.16 1wm4 h GLU 128 N 0.00 0.68 -0.03 2.24 4.81 -1.20 -3.19 114.58 117.89 1wm4 h GLU 128 Ca 0.00 -0.79 -0.04 0.00 -0.13 0.00 0.00 59.36 58.39 1wm4 h GLU 128 Cb 0.15 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1wm4 h GLU 128 CO 0.00 1.35 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.41 1wm4 h LEU 129 N 0.36 0.19 -1.65 1.64 3.38 -1.03 -2.97 115.31 115.22 1wm4 h LEU 129 Ca -0.15 -0.66 0.13 0.00 0.09 0.00 0.00 57.88 57.29 1wm4 h LEU 129 Cb 1.78 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1wm4 h LEU 129 CO 0.22 0.81 0.63 0.11 0.09 0.00 0.00 178.44 180.30 1wm4 h LYS 130 N -0.43 0.00 0.00 1.13 1.57 -1.54 -2.36 116.57 114.93 1wm4 h LYS 130 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wm4 h LYS 130 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1wm4 h LYS 130 CO 0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 1wm4 n LYS 131 N -3.37 0.00 -3.92 3.15 5.02 -1.12 -4.92 118.16 113.00 1wm4 n LYS 131 Ca 0.09 0.48 -0.38 0.00 -2.02 0.00 0.00 58.31 56.47 1wm4 n LYS 131 Cb 0.80 -1.17 0.02 0.00 -0.02 0.00 0.00 35.03 34.65 1wm4 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wm4 n ALA 132 N -1.93 -2.65 -2.71 7.82 0.00 -0.89 -4.89 120.51 115.27 1wm4 n ALA 132 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 53.44 52.92 1wm4 n ALA 132 Cb 0.00 -2.37 0.09 0.00 0.00 0.00 0.00 19.45 17.17 1wm4 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wm4 n GLY 133 N -1.92 0.44 3.67 0.00 0.00 -1.26 -5.11 105.19 101.01 1wm4 n GLY 133 Ca -0.16 0.09 -0.62 0.00 0.00 0.00 0.00 46.02 45.34 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 0.04 0.31 0.04 -0.02 0.00 -1.26 -4.79 105.19 99.50 1wm4 n GLY 134 Ca -0.01 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 3.72 1.22 0.22 4.61 0.00 -1.26 -4.79 120.51 124.24 1wm4 n ALA 135 Ca 0.26 -0.63 0.02 0.00 0.00 0.00 0.00 53.44 53.09 1wm4 n ALA 135 Cb 0.04 -0.04 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1wm4 n ALA 135 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wm4 n ASN 136 N -0.08 0.00 -0.33 0.00 6.94 -1.26 -3.08 115.26 117.44 1wm4 n ASN 136 Ca 0.00 -0.12 0.16 0.00 -0.02 0.00 0.00 54.58 54.60 1wm4 n ASN 136 Cb 0.48 0.00 0.36 0.00 -2.36 0.00 0.00 39.78 38.26 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1wm4 h TYR 137 N 0.00 0.88 0.00 -2.53 5.03 -1.99 2.11 116.97 120.47 1wm4 h TYR 137 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1wm4 h TYR 137 Cb 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.04 1wm4 h TYR 137 CO 0.00 0.02 0.00 -0.40 -1.32 0.00 0.00 178.16 176.46 1wm4 n ASP 138 N -4.95 0.00 -1.02 -2.11 5.75 -1.18 -2.53 116.55 110.52 1wm4 n ASP 138 Ca 0.25 -0.84 0.09 0.00 -0.01 0.00 0.00 54.79 54.28 1wm4 n ASP 138 Cb 0.71 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 41.04 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wm4 n ALA 139 N -0.92 2.41 -3.67 2.12 0.00 0.71 -4.91 120.51 116.25 1wm4 n ALA 139 Ca 0.15 -0.96 -0.28 0.00 0.00 0.00 0.00 53.44 52.34 1wm4 n ALA 139 Cb 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.57 1wm4 n ALA 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wm4 n GLN 140 N 1.12 -4.47 -0.94 0.00 6.02 -1.05 -4.56 117.38 113.50 1wm4 n GLN 140 Ca 0.18 0.56 0.13 0.00 -0.01 0.00 0.00 57.00 57.86 1wm4 n GLN 140 Cb 0.47 -5.37 -0.03 0.00 1.02 0.00 0.00 30.24 26.32 1wm4 n GLN 140 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wm4 n SER 141 N -2.59 -6.74 0.00 1.08 2.88 -1.26 -5.13 113.62 101.86 1wm4 n SER 141 Ca 0.01 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1wm4 n SER 141 Cb 0.54 -2.85 0.00 0.00 -0.75 0.00 0.00 64.21 61.15 1wm4 n SER 141 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97