#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 -0.84 0.58 3.04 0.00 -1.26 -5.10 121.76 118.19 1wm4 s ALA 2 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1wm4 s ALA 2 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1wm4 s ALA 2 CO 0.00 -0.60 0.00 2.41 0.00 0.00 0.00 175.76 177.57 1wm4 n THR 3 N 5.14 -3.52 -4.87 0.00 -1.04 -1.26 -4.93 114.28 103.79 1wm4 n THR 3 Ca -0.11 1.71 -0.29 0.00 -2.04 0.00 0.00 64.05 63.32 1wm4 n THR 3 Cb 0.51 -2.68 -0.17 0.00 -1.82 0.00 0.00 70.33 66.17 1wm4 n THR 3 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wm4 s LYS 4 N -4.99 2.48 -0.20 -2.82 1.02 -1.16 -5.04 119.74 109.03 1wm4 s LYS 4 Ca 0.00 -0.68 -0.05 0.00 0.02 0.00 0.00 55.97 55.26 1wm4 s LYS 4 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1wm4 s LYS 4 CO 0.00 0.08 0.01 -1.50 -0.92 0.00 0.00 175.35 173.03 1wm4 s ILE 5 N 0.57 4.10 -0.64 2.17 1.10 -1.26 -0.79 121.20 126.44 1wm4 s ILE 5 Ca -0.15 -0.26 -0.02 0.00 -0.51 0.00 0.00 60.65 59.70 1wm4 s ILE 5 Cb -0.17 -2.85 0.36 0.00 0.15 0.00 0.00 42.46 39.94 1wm4 s ILE 5 CO 0.05 0.43 2.10 0.47 -2.11 0.00 0.00 174.94 175.88 1wm4 n ASP 6 N 4.16 7.38 0.29 4.50 9.92 -0.99 -4.69 116.55 137.12 1wm4 n ASP 6 Ca -0.17 -3.64 0.02 0.00 -0.53 0.00 0.00 54.79 50.47 1wm4 n ASP 6 Cb 0.52 -1.04 0.13 0.00 -0.64 0.00 0.00 41.12 40.09 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1wm4 h LYS 7 N 2.26 0.00 -0.25 -1.24 5.09 -1.94 0.29 116.57 120.78 1wm4 h LYS 7 Ca 0.53 0.00 0.04 0.00 0.09 0.00 0.00 60.65 61.32 1wm4 h LYS 7 Cb 0.62 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.91 1wm4 h LYS 7 CO 1.37 0.00 -0.01 0.93 -2.09 0.00 0.00 179.45 179.65 1wm4 h GLU 8 N 0.00 0.06 0.32 0.07 5.08 -1.97 0.55 114.58 118.69 1wm4 h GLU 8 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wm4 h GLU 8 Cb 1.67 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1wm4 h GLU 8 CO 0.00 0.04 -0.15 0.00 -1.00 0.00 0.00 179.01 177.90 1wm4 h ALA 9 N 1.22 -1.03 -0.54 3.43 0.00 -0.82 -0.89 119.26 120.63 1wm4 h ALA 9 Ca 0.12 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1wm4 h ALA 9 Cb 0.16 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1wm4 h ALA 9 CO -0.21 -1.00 -0.53 0.00 0.00 0.00 0.00 179.25 177.50 1wm4 h ARG 11 N -0.30 -0.17 -0.85 0.00 2.43 0.11 2.43 114.38 118.03 1wm4 h ARG 11 Ca 0.11 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.46 1wm4 h ARG 11 Cb 0.56 0.04 -0.16 0.00 -0.42 0.00 0.00 29.97 29.99 1wm4 h ARG 11 CO -0.67 -0.11 -0.25 0.00 -1.51 0.00 0.00 179.97 177.43 1wm4 h ALA 12 N 0.76 0.45 0.11 2.80 0.00 0.42 -0.32 119.26 123.49 1wm4 h ALA 12 Ca 0.21 0.31 -0.29 0.00 0.00 0.00 0.00 54.91 55.14 1wm4 h ALA 12 Cb 0.56 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1wm4 h ALA 12 CO -0.74 -0.45 -1.42 0.00 0.00 0.00 0.00 179.25 176.64 1wm4 h ALA 13 N 1.71 0.24 -0.18 0.00 0.00 -0.28 -3.09 119.26 117.64 1wm4 h ALA 13 Ca 0.39 -1.04 0.02 0.00 0.00 0.00 0.00 54.91 54.28 1wm4 h ALA 13 Cb 0.62 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1wm4 h ALA 13 CO -0.88 1.11 -0.24 -0.92 0.00 0.00 0.00 179.25 178.32 1wm4 h TYR 14 N 0.06 -0.73 -0.18 0.00 5.03 0.58 0.28 116.97 122.01 1wm4 h TYR 14 Ca -0.20 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.05 1wm4 h TYR 14 Cb 1.99 0.34 -0.00 0.00 1.55 0.00 0.00 36.73 40.61 1wm4 h TYR 14 CO 0.06 -0.20 -0.26 -0.91 -1.32 0.00 0.00 178.16 175.52 1wm4 h ASN 15 N -0.16 0.54 -0.96 -2.11 2.35 -1.61 -3.16 115.58 110.48 1wm4 h ASN 15 Ca 0.03 -0.52 0.17 0.00 -0.55 0.00 0.00 56.30 55.43 1wm4 h ASN 15 Cb 0.25 -0.16 -0.10 0.00 0.05 0.00 0.00 38.32 38.36 1wm4 h ASN 15 CO -0.26 0.96 0.56 0.25 -1.65 0.00 0.00 177.43 177.29 1wm4 h LEU 16 N 0.15 0.71 0.00 1.61 7.12 -1.41 0.32 115.31 123.81 1wm4 h LEU 16 Ca 0.02 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1wm4 h LEU 16 Cb 0.84 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1wm4 h LEU 16 CO 0.06 0.27 0.05 0.52 -0.13 0.00 0.00 178.44 179.22 1wm4 n VAL 17 N -4.79 0.27 0.72 1.05 0.31 0.96 0.21 118.33 117.05 1wm4 n VAL 17 Ca 0.21 0.12 0.09 0.00 -0.01 0.00 0.00 64.34 64.74 1wm4 n VAL 17 Cb 0.51 -1.12 0.06 0.00 -0.91 0.00 0.00 33.84 32.39 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 -0.90 1.42 -2.83 5.55 0.63 0.11 -4.86 116.66 115.78 1wm4 n ARG 18 Ca 0.00 -1.43 -0.31 0.00 -0.92 0.00 0.00 57.85 55.19 1wm4 n ARG 18 Cb 0.05 -1.32 -0.04 0.00 0.45 0.00 0.00 32.46 31.60 1wm4 n ARG 18 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1wm4 s ASP 19 N -1.49 6.61 0.21 6.15 -1.08 0.57 -4.93 116.67 122.70 1wm4 s ASP 19 Ca 0.19 1.27 0.17 0.00 -0.52 0.00 0.00 52.55 53.66 1wm4 s ASP 19 Cb 0.14 -2.38 0.84 0.00 -1.46 0.00 0.00 42.92 40.06 1wm4 s ASP 19 CO 0.24 -0.39 1.53 -0.90 0.52 0.00 0.00 175.17 176.17 1wm4 n ASP 20 N -1.13 0.42 0.00 -0.34 5.75 -1.26 -3.91 116.55 116.09 1wm4 n ASP 20 Ca 0.04 0.66 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 1wm4 n ASP 20 Cb 0.54 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 -0.81 -0.10 7.00 6.12 0.00 -1.26 -4.99 105.19 111.15 1wm4 n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.23 0.00 0.00 1.61 3.41 -1.25 -4.88 113.62 111.28 1wm4 n SER 22 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wm4 n SER 22 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 10.04 0.00 -2.56 7.33 0.00 -1.26 -5.09 120.51 128.96 1wm4 n ALA 23 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1wm4 n ALA 23 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.00 4.49 0.45 0.00 0.11 -1.26 -4.56 120.40 119.63 1wm4 s VAL 24 Ca 0.00 0.70 0.15 0.00 -2.93 0.00 0.00 61.98 59.90 1wm4 s VAL 24 Cb 0.00 -4.42 0.32 0.00 -1.53 0.00 0.00 36.38 30.75 1wm4 s VAL 24 CO 0.00 -0.83 2.01 -0.29 -3.33 0.00 0.00 175.10 172.66 1wm4 h ILE 25 N 6.07 0.91 -1.97 7.04 2.10 -0.20 -3.44 117.51 128.02 1wm4 h ILE 25 Ca -0.24 -0.11 -0.05 0.00 1.08 0.00 0.00 64.86 65.54 1wm4 h ILE 25 Cb 1.08 0.54 -0.19 0.00 -1.09 0.00 0.00 36.82 37.16 1wm4 h ILE 25 CO 1.02 0.06 0.22 -1.66 -1.08 0.00 0.00 178.15 176.71 1wm4 s TRP 26 N -5.32 -0.64 -0.07 2.19 1.48 -1.22 -3.90 118.94 111.46 1wm4 s TRP 26 Ca -0.07 1.12 0.04 0.00 -1.06 0.00 0.00 56.10 56.13 1wm4 s TRP 26 Cb 0.19 0.41 -0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1wm4 s TRP 26 CO 0.74 -0.58 -0.20 0.14 -4.06 0.00 0.00 176.95 172.98 1wm4 s VAL 27 N -1.13 2.47 0.03 -0.66 -7.23 -1.26 -2.95 120.40 109.68 1wm4 s VAL 27 Ca -0.10 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 1wm4 s VAL 27 Cb -0.00 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1wm4 s VAL 27 CO 0.09 0.56 -0.20 0.42 -0.31 0.00 0.00 175.10 175.66 1wm4 s THR 28 N -0.13 1.61 0.31 5.32 -4.23 -1.24 -4.06 115.64 113.22 1wm4 s THR 28 Ca -0.03 -1.10 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1wm4 s THR 28 Cb -0.14 -1.39 -0.06 0.00 1.34 0.00 0.00 72.50 72.25 1wm4 s THR 28 CO 0.04 0.26 -0.11 0.72 -0.54 0.00 0.00 174.62 174.99 1wm4 s PHE 29 N -0.71 2.23 0.01 3.99 -0.71 -1.26 -1.53 117.98 120.00 1wm4 s PHE 29 Ca 0.07 -0.52 -0.01 0.00 -1.04 0.00 0.00 56.93 55.43 1wm4 s PHE 29 Cb -0.08 -1.20 -0.01 0.00 -1.21 0.00 0.00 43.02 40.51 1wm4 s PHE 29 CO 0.01 0.53 0.01 -0.98 -1.34 0.00 0.00 175.22 173.45 1wm4 s ARG 30 N -3.62 0.24 -0.55 1.99 1.70 -1.13 -3.92 118.95 113.66 1wm4 s ARG 30 Ca 0.31 -0.37 -0.26 0.00 -0.47 0.00 0.00 55.73 54.94 1wm4 s ARG 30 Cb 0.01 0.09 -0.09 0.00 -0.57 0.00 0.00 34.95 34.39 1wm4 s ARG 30 CO 0.15 -0.04 2.43 0.66 -1.08 0.00 0.00 175.30 177.41 1wm4 n TYR 31 N 2.07 1.35 -3.33 5.89 4.01 -1.26 -3.82 117.16 122.06 1wm4 n TYR 31 Ca -0.20 0.11 -0.46 0.00 -0.16 0.00 0.00 57.90 57.20 1wm4 n TYR 31 Cb 0.57 -2.61 -0.06 0.00 -0.31 0.00 0.00 39.34 36.93 1wm4 n TYR 31 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1wm4 s ASP 32 N 11.91 6.18 1.35 7.72 1.47 -0.34 -4.92 116.67 140.04 1wm4 s ASP 32 Ca 0.99 -1.68 0.00 0.00 1.18 0.00 0.00 52.55 53.04 1wm4 s ASP 32 Cb -0.22 -2.20 0.00 0.00 -0.34 0.00 0.00 42.92 40.16 1wm4 s ASP 32 CO 0.25 -0.81 0.00 0.61 0.68 0.00 0.00 175.17 175.90 1wm4 n GLY 33 N 5.24 2.65 1.18 2.12 0.00 -1.26 -2.72 105.19 112.40 1wm4 n GLY 33 Ca -0.14 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 10.45 3.58 -2.62 4.61 0.00 -1.26 -4.98 120.51 130.29 1wm4 n ALA 34 Ca 0.00 -2.48 -0.10 0.00 0.00 0.00 0.00 53.44 50.87 1wm4 n ALA 34 Cb 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 1wm4 n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wm4 s THR 35 N -2.95 0.33 -0.40 0.00 2.01 -1.10 -2.97 115.64 110.56 1wm4 s THR 35 Ca 0.46 -1.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 1wm4 s THR 35 Cb 0.38 -0.86 0.09 0.00 0.01 0.00 0.00 72.50 72.11 1wm4 s THR 35 CO 0.08 -0.65 0.21 -0.63 -0.69 0.00 0.00 174.62 172.95 1wm4 s ILE 36 N -2.35 3.77 0.07 1.82 1.09 0.03 -1.19 121.20 124.43 1wm4 s ILE 36 Ca -0.05 -1.62 0.02 0.00 -1.10 0.00 0.00 60.65 57.90 1wm4 s ILE 36 Cb -0.03 -3.38 -0.03 0.00 -1.06 0.00 0.00 42.46 37.95 1wm4 s ILE 36 CO -0.03 -0.52 -0.07 0.68 -0.10 0.00 0.00 174.94 174.89 1wm4 s VAL 37 N 1.31 0.62 0.14 2.92 -7.23 -1.25 -2.34 120.40 114.58 1wm4 s VAL 37 Ca 0.04 -1.51 -0.17 0.00 -1.81 0.00 0.00 61.98 58.53 1wm4 s VAL 37 Cb -0.23 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.46 1wm4 s VAL 37 CO -0.00 -0.62 0.29 -2.65 -0.31 0.00 0.00 175.10 171.80 1wm4 n PRO 38 N 0.71 0.00 0.00 4.82 -0.02 -1.26 -2.85 135.00 136.40 1wm4 n PRO 38 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1wm4 n PRO 38 Cb 0.58 -0.61 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 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 1.25 0.00 3.00 -1.23 0.00 -0.58 -4.65 105.19 102.98 1wm4 n GLY 39 Ca 0.11 0.00 -0.16 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 -0.08 -0.87 -2.87 1.61 8.00 -0.91 -4.99 116.55 116.44 1wm4 n ASP 40 Ca 0.00 -2.91 -0.10 0.00 0.71 0.00 0.00 54.79 52.49 1wm4 n ASP 40 Cb 0.00 1.83 0.02 0.00 -0.02 0.00 0.00 41.12 42.95 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 -3.05 2.23 -0.28 -1.24 1.03 -1.26 -3.62 119.66 113.47 1wm4 s GLN 41 Ca 0.33 -1.55 -0.19 0.00 0.04 0.00 0.00 55.36 53.98 1wm4 s GLN 41 Cb 0.01 0.60 0.10 0.00 0.03 0.00 0.00 33.01 33.74 1wm4 s GLN 41 CO 0.23 -1.03 0.82 0.20 -2.54 0.00 0.00 175.29 172.97 1wm4 s GLY 42 N -3.12 -0.39 0.00 2.60 0.00 -1.15 -4.80 107.32 100.46 1wm4 s GLY 42 Ca 0.19 2.56 0.14 0.00 0.00 0.00 0.00 44.72 47.61 1wm4 s GLY 42 CO 0.14 2.23 0.67 0.00 0.00 0.00 0.00 173.10 176.13 1wm4 n ALA 43 N 3.50 3.67 -3.64 3.20 0.00 -1.26 0.46 120.51 126.44 1wm4 n ALA 43 Ca -0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 1wm4 n ALA 43 Cb 0.57 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.21 0.04 0.09 0.00 1.01 -1.26 -4.41 116.67 109.94 1wm4 s ASP 44 Ca 0.07 -1.02 -0.14 0.00 0.71 0.00 0.00 52.55 52.17 1wm4 s ASP 44 Cb 0.11 0.77 -0.13 0.00 1.01 0.00 0.00 42.92 44.68 1wm4 s ASP 44 CO 0.53 -1.49 1.34 0.22 0.21 0.00 0.00 175.17 175.98 1wm4 h TYR 45 N 2.04 0.96 -0.89 4.23 3.20 -1.99 -3.05 116.97 121.47 1wm4 h TYR 45 Ca -0.27 -0.37 0.23 0.00 3.14 0.00 0.00 58.73 61.45 1wm4 h TYR 45 Cb 1.25 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 1wm4 h TYR 45 CO 1.02 1.18 0.61 1.96 -1.64 0.00 0.00 178.16 181.29 1wm4 h GLN 46 N 0.46 0.22 0.00 1.82 1.08 -2.01 0.64 115.11 117.32 1wm4 h GLN 46 Ca -0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1wm4 h GLN 46 Cb 1.17 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1wm4 h GLN 46 CO 0.12 0.14 0.00 1.25 -0.95 0.00 0.00 178.83 179.39 1wm4 h HIS 47 N 0.22 0.00 0.00 2.96 2.76 -1.92 -1.45 115.15 117.73 1wm4 h HIS 47 Ca 0.45 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.45 1wm4 h HIS 47 Cb 1.40 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.33 1wm4 h HIS 47 CO -0.00 0.00 -0.92 0.27 -1.30 0.00 0.00 177.93 175.97 1wm4 h PHE 48 N 0.00 0.00 0.00 5.26 -5.15 0.16 -3.16 116.94 114.05 1wm4 h PHE 48 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1wm4 h PHE 48 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.38 1wm4 h PHE 48 CO 0.00 0.76 0.00 0.82 -2.00 0.00 0.00 178.31 177.89 1wm4 h ILE 49 N 0.00 0.00 0.07 0.88 2.04 -1.29 -3.23 117.51 115.98 1wm4 h ILE 49 Ca -0.05 -0.93 -0.24 0.00 1.00 0.00 0.00 64.86 64.63 1wm4 h ILE 49 Cb 1.63 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.63 1wm4 h ILE 49 CO 0.09 0.00 -1.28 0.06 0.00 0.00 0.00 178.15 177.02 1wm4 h GLN 50 N 0.00 0.15 -2.13 2.37 -0.00 -1.57 -3.39 115.11 110.54 1wm4 h GLN 50 Ca 0.00 -0.25 -0.74 0.00 -0.00 0.00 0.00 58.65 57.66 1wm4 h GLN 50 Cb 0.97 0.09 -0.31 0.00 -0.00 0.00 0.00 27.48 28.23 1wm4 h GLN 50 CO 0.00 1.12 0.59 0.00 -0.00 0.00 0.00 178.83 180.54 1wm4 n GLN 51 N -4.11 4.22 -2.78 0.06 10.64 -1.20 -4.71 117.38 119.52 1wm4 n GLN 51 Ca -0.26 -4.41 -0.09 0.00 -1.83 0.00 0.00 57.00 50.40 1wm4 n GLN 51 Cb 0.80 -2.36 0.06 0.00 -0.86 0.00 0.00 30.24 27.88 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 0.35 4.66 -0.92 0.00 -4.23 -1.26 -4.88 115.64 109.36 1wm4 s THR 53 Ca 0.28 0.96 0.00 0.00 -1.18 0.00 0.00 61.69 61.76 1wm4 s THR 53 Cb 0.25 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1wm4 s THR 53 CO -0.16 -0.25 0.49 -0.90 -0.54 0.00 0.00 174.62 173.27 1wm4 n ASP 54 N -0.52 0.00 -1.56 3.99 5.68 -1.26 -0.20 116.55 122.68 1wm4 n ASP 54 Ca 0.04 0.12 0.04 0.00 -0.50 0.00 0.00 54.79 54.48 1wm4 n ASP 54 Cb 0.53 -0.12 0.29 0.00 -1.14 0.00 0.00 41.12 40.68 1wm4 n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1wm4 n ASP 55 N -0.99 4.44 -4.02 -1.12 -0.08 -1.26 0.55 116.55 114.07 1wm4 n ASP 55 Ca 0.00 -2.72 -0.10 0.00 -1.51 0.00 0.00 54.79 50.46 1wm4 n ASP 55 Cb 0.09 -0.65 -0.11 0.00 2.34 0.00 0.00 41.12 42.79 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wm4 s VAL 56 N -2.31 0.26 -0.05 5.18 0.11 0.72 -4.80 120.40 119.52 1wm4 s VAL 56 Ca 0.40 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1wm4 s VAL 56 Cb 0.31 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1wm4 s VAL 56 CO 0.11 -0.52 -0.10 0.00 -3.33 0.00 0.00 175.10 171.27 1wm4 s ARG 57 N -1.79 1.29 0.06 1.54 1.04 -1.26 -1.03 118.95 118.81 1wm4 s ARG 57 Ca -0.11 -0.31 -0.27 0.00 -1.04 0.00 0.00 55.73 54.00 1wm4 s ARG 57 Cb -0.08 -1.13 0.09 0.00 -2.04 0.00 0.00 34.95 31.79 1wm4 s ARG 57 CO -0.01 0.03 1.17 -0.48 -0.04 0.00 0.00 175.30 175.97 1wm4 s LEU 58 N 0.59 -0.03 0.14 -1.89 0.05 0.83 -4.65 118.68 113.72 1wm4 s LEU 58 Ca -0.11 -0.35 0.07 0.00 0.05 0.00 0.00 54.13 53.79 1wm4 s LEU 58 Cb -0.14 1.66 -0.04 0.00 -2.05 0.00 0.00 46.19 45.63 1wm4 s LEU 58 CO 0.02 -0.57 -0.03 -0.36 -0.55 0.00 0.00 176.35 174.85 1wm4 s PHE 59 N -2.33 2.83 0.11 3.48 0.08 -1.25 0.19 117.98 121.08 1wm4 s PHE 59 Ca 0.21 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.17 1wm4 s PHE 59 Cb 0.00 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 1wm4 s PHE 59 CO 0.01 0.49 -0.10 0.00 -0.10 0.00 0.00 175.22 175.51 1wm4 s ALA 60 N -1.53 1.23 -0.32 5.36 0.00 -0.15 -3.99 121.76 122.37 1wm4 s ALA 60 Ca 0.25 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1wm4 s ALA 60 Cb -0.10 0.04 0.15 0.00 0.00 0.00 0.00 23.12 23.21 1wm4 s ALA 60 CO 0.17 -0.06 0.37 0.12 0.00 0.00 0.00 175.76 176.36 1wm4 s PHE 61 N -2.77 -0.64 0.22 0.00 5.36 -1.26 -0.37 117.98 118.52 1wm4 s PHE 61 Ca 0.09 -0.18 0.10 0.00 -0.96 0.00 0.00 56.93 55.98 1wm4 s PHE 61 Cb -0.01 -0.32 -0.04 0.00 -0.34 0.00 0.00 43.02 42.31 1wm4 s PHE 61 CO -0.00 -0.97 -0.12 0.54 -1.46 0.00 0.00 175.22 173.22 1wm4 s VAL 62 N 2.15 2.98 -0.40 3.12 0.11 -1.25 -4.08 120.40 123.03 1wm4 s VAL 62 Ca 0.12 -1.90 -0.29 0.00 -2.93 0.00 0.00 61.98 56.97 1wm4 s VAL 62 Cb -0.13 -2.51 0.02 0.00 -1.53 0.00 0.00 36.38 32.23 1wm4 s VAL 62 CO -0.23 -0.22 1.13 -0.60 -3.33 0.00 0.00 175.10 171.85 1wm4 s ARG 63 N -3.10 3.88 0.28 1.54 3.52 -1.25 -4.00 118.95 119.82 1wm4 s ARG 63 Ca 0.26 0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 56.65 1wm4 s ARG 63 Cb -0.07 -3.84 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 1wm4 s ARG 63 CO 0.15 -1.17 0.54 -0.06 -0.81 0.00 0.00 175.30 173.96 1wm4 s PHE 64 N 4.13 3.48 0.71 5.12 0.08 -0.33 -4.89 117.98 126.28 1wm4 s PHE 64 Ca 0.48 0.62 -0.11 0.00 0.12 0.00 0.00 56.93 58.03 1wm4 s PHE 64 Cb -0.10 -2.09 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1wm4 s PHE 64 CO 0.24 0.19 1.08 -0.08 -0.10 0.00 0.00 175.22 176.55 1wm4 s THR 65 N -2.07 3.63 0.00 0.64 -1.32 -1.26 0.50 115.64 115.76 1wm4 s THR 65 Ca 0.44 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.45 1wm4 s THR 65 Cb -0.11 -3.44 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 1wm4 s THR 65 CO 0.30 -0.69 0.00 0.41 -2.21 0.00 0.00 174.62 172.42 1wm4 n THR 66 N -3.08 0.00 0.00 5.08 -1.04 -1.26 -4.44 114.28 109.54 1wm4 n THR 66 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1wm4 n THR 66 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.13 1.27 2.70 3.41 0.00 -1.26 -4.93 105.19 106.51 1wm4 n GLY 67 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.00 0.00 1.61 5.75 -1.26 -4.94 116.55 119.71 1wm4 n ASP 68 Ca 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1wm4 n ASP 68 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wm4 n ALA 69 N -0.47 0.00 -1.80 2.12 0.00 -1.26 -4.93 120.51 114.17 1wm4 n ALA 69 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1wm4 n ALA 69 Cb 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 1wm4 n ALA 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wm4 s MET 70 N 0.00 4.16 -1.08 0.00 0.00 -1.26 -4.83 119.30 116.28 1wm4 s MET 70 Ca 0.00 2.51 -0.24 0.00 0.00 0.00 0.00 55.69 57.97 1wm4 s MET 70 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 34.83 31.67 1wm4 s MET 70 CO 0.00 -0.64 1.96 -1.54 0.00 0.00 0.00 175.02 174.80 1wm4 s SER 71 N 0.82 4.93 0.00 1.11 1.04 -1.26 -4.28 113.70 116.05 1wm4 s SER 71 Ca 0.68 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1wm4 s SER 71 Cb -0.47 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.07 1wm4 s SER 71 CO 0.39 -3.11 0.14 1.17 0.98 0.00 0.00 173.24 172.80 1wm4 n LYS 72 N 8.46 -0.12 0.01 4.02 4.81 -1.26 -5.01 118.16 129.07 1wm4 n LYS 72 Ca 0.43 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1wm4 n LYS 72 Cb 0.47 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 34.92 1wm4 n LYS 72 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1wm4 n ARG 73 N -0.01 0.00 -1.44 1.64 0.63 -1.26 -5.12 116.66 111.10 1wm4 n ARG 73 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1wm4 n ARG 73 Cb 0.22 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.13 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wm4 n SER 74 N -2.06 -7.77 -4.82 6.15 2.88 -1.26 -4.97 113.62 101.77 1wm4 n SER 74 Ca 0.00 1.70 -0.22 0.00 -1.33 0.00 0.00 58.87 59.02 1wm4 n SER 74 Cb 0.00 -4.56 -0.04 0.00 -0.75 0.00 0.00 64.21 58.85 1wm4 n SER 74 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wm4 s LYS 75 N -5.25 2.61 -0.05 -1.46 2.20 0.18 -4.87 119.74 113.10 1wm4 s LYS 75 Ca 0.00 -1.39 0.01 0.00 -0.36 0.00 0.00 55.97 54.23 1wm4 s LYS 75 Cb 0.00 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1wm4 s LYS 75 CO 0.00 0.08 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.96 1wm4 s PHE 76 N -2.35 0.90 0.18 4.03 0.08 -1.26 -1.19 117.98 118.36 1wm4 s PHE 76 Ca 0.40 -0.28 -0.06 0.00 0.12 0.00 0.00 56.93 57.11 1wm4 s PHE 76 Cb -0.05 -0.77 -0.02 0.00 -0.57 0.00 0.00 43.02 41.61 1wm4 s PHE 76 CO 0.25 -0.23 0.23 0.00 -0.10 0.00 0.00 175.22 175.37 1wm4 s ALA 77 N 0.97 0.42 0.24 5.36 0.00 -1.26 0.32 121.76 127.82 1wm4 s ALA 77 Ca -0.10 -1.20 0.11 0.00 0.00 0.00 0.00 51.96 50.77 1wm4 s ALA 77 Cb -0.14 1.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1wm4 s ALA 77 CO 0.00 -0.63 -0.15 -1.17 0.00 0.00 0.00 175.76 173.81 1wm4 s LEU 78 N -3.04 2.76 0.04 0.00 0.20 -1.09 -3.77 118.68 113.78 1wm4 s LEU 78 Ca 0.24 -0.82 0.03 0.00 0.69 0.00 0.00 54.13 54.27 1wm4 s LEU 78 Cb 0.04 -1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 44.43 1wm4 s LEU 78 CO 0.04 0.06 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.45 1wm4 s ILE 79 N -2.13 0.61 -0.31 6.68 1.01 0.50 -0.07 121.20 127.49 1wm4 s ILE 79 Ca 0.27 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 1wm4 s ILE 79 Cb -0.07 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1wm4 s ILE 79 CO 0.15 -0.27 0.09 -0.89 0.00 0.00 0.00 174.94 174.02 1wm4 s THR 80 N -1.15 4.01 -0.41 2.92 2.01 -0.83 -0.97 115.64 121.21 1wm4 s THR 80 Ca -0.07 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 1wm4 s THR 80 Cb -0.09 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.34 1wm4 s THR 80 CO 0.01 0.03 0.51 0.86 -0.69 0.00 0.00 174.62 175.33 1wm4 s TRP 81 N 1.50 3.14 -0.57 4.92 -0.11 0.49 -2.59 118.94 125.71 1wm4 s TRP 81 Ca 0.02 -0.16 -0.03 0.00 1.22 0.00 0.00 56.10 57.15 1wm4 s TRP 81 Cb -0.18 -3.03 0.15 0.00 -1.50 0.00 0.00 33.47 28.91 1wm4 s TRP 81 CO 0.03 -0.71 0.39 0.42 -4.62 0.00 0.00 176.95 172.45 1wm4 s ILE 82 N 2.39 3.66 0.58 5.86 -1.09 -1.26 -0.12 121.20 131.23 1wm4 s ILE 82 Ca 0.17 -2.71 -0.19 0.00 -2.23 0.00 0.00 60.65 55.69 1wm4 s ILE 82 Cb -0.16 -3.41 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 1wm4 s ILE 82 CO 0.15 -0.83 0.85 0.61 -1.23 0.00 0.00 174.94 174.49 1wm4 n GLY 83 N 3.79 -0.63 1.99 6.18 0.00 -0.20 -4.85 105.19 111.47 1wm4 n GLY 83 Ca 0.05 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.67 2.06 -0.90 1.61 2.13 0.19 -3.98 120.64 121.08 1wm4 n GLU 84 Ca 0.13 -2.26 -0.02 0.00 0.66 0.00 0.00 57.16 55.66 1wm4 n GLU 84 Cb 0.47 -1.89 -0.02 0.00 0.27 0.00 0.00 31.44 30.27 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1wm4 n ASP 85 N -0.45 -0.20 -4.96 4.31 -0.08 -1.11 -4.96 116.55 109.11 1wm4 n ASP 85 Ca 0.44 -1.73 -0.22 0.00 -1.51 0.00 0.00 54.79 51.77 1wm4 n ASP 85 Cb 0.96 0.03 -0.02 0.00 2.34 0.00 0.00 41.12 44.44 1wm4 n ASP 85 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wm4 s VAL 86 N 0.00 5.21 0.75 5.18 0.11 -1.26 -4.91 120.40 125.49 1wm4 s VAL 86 Ca 0.07 -0.79 -0.13 0.00 -2.93 0.00 0.00 61.98 58.20 1wm4 s VAL 86 Cb 0.08 -3.85 0.18 0.00 -1.53 0.00 0.00 36.38 31.26 1wm4 s VAL 86 CO -0.03 -0.39 0.73 -1.54 -3.33 0.00 0.00 175.10 170.54 1wm4 n SER 87 N -1.47 -1.34 0.14 3.54 3.41 -1.26 -4.94 113.62 111.69 1wm4 n SER 87 Ca -0.07 -1.00 0.12 0.00 -0.26 0.00 0.00 58.87 57.65 1wm4 n SER 87 Cb 0.57 -0.64 0.17 0.00 -0.26 0.00 0.00 64.21 64.04 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wm4 h GLY 88 N -1.75 0.00 -0.36 5.00 0.00 -2.01 -3.36 103.07 100.59 1wm4 h GLY 88 Ca -0.26 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.14 1wm4 h GLY 88 CO 0.18 0.00 -0.45 1.41 0.00 0.00 0.00 176.54 177.68 1wm4 h LEU 89 N 0.00 -1.51 -1.90 3.11 3.38 -2.02 0.66 115.31 117.03 1wm4 h LEU 89 Ca 0.00 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1wm4 h LEU 89 Cb 0.91 0.66 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1wm4 h LEU 89 CO 0.00 -0.37 0.23 1.56 0.09 0.00 0.00 178.44 179.95 1wm4 h GLN 90 N -0.32 0.11 -0.56 1.13 1.08 -1.97 -1.57 115.11 113.02 1wm4 h GLN 90 Ca 0.14 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.42 1wm4 h GLN 90 Cb 0.58 -0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 27.88 1wm4 h GLN 90 CO -0.60 0.07 -0.43 -0.09 -0.95 0.00 0.00 178.83 176.83 1wm4 h ARG 91 N 0.12 -0.23 0.13 1.46 9.65 0.15 1.80 114.38 127.46 1wm4 h ARG 91 Ca 0.15 0.02 -0.28 0.00 -1.10 0.00 0.00 59.98 58.77 1wm4 h ARG 91 Cb 0.44 0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1wm4 h ARG 91 CO -0.02 -0.15 -1.24 0.00 2.80 0.00 0.00 179.97 181.36 1wm4 h ALA 92 N 0.62 0.09 0.44 2.80 0.00 -1.39 -3.15 119.26 118.68 1wm4 h ALA 92 Ca 0.18 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1wm4 h ALA 92 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wm4 h ALA 92 CO -0.67 0.95 -0.21 0.87 0.00 0.00 0.00 179.25 180.19 1wm4 h LYS 93 N 0.08 -0.57 -0.75 0.00 1.57 -0.29 -2.76 116.57 113.84 1wm4 h LYS 93 Ca -0.14 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1wm4 h LYS 93 Cb 1.96 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 34.26 1wm4 h LYS 93 CO 0.21 -0.38 -0.17 1.15 -0.57 0.00 0.00 179.45 179.68 1wm4 h THR 94 N -1.00 0.25 0.14 -0.16 2.02 0.26 0.44 112.91 114.87 1wm4 h THR 94 Ca -0.06 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1wm4 h THR 94 Cb 0.45 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1wm4 h THR 94 CO 0.10 0.00 -0.51 1.23 0.37 0.00 0.00 175.52 176.71 1wm4 h GLY 95 N 0.01 -1.10 0.80 2.16 0.00 -1.59 1.05 103.07 104.40 1wm4 h GLY 95 Ca 0.37 0.61 -0.01 0.00 0.00 0.00 0.00 47.33 48.30 1wm4 h GLY 95 CO -0.77 -0.28 0.02 -0.91 0.00 0.00 0.00 176.54 174.61 1wm4 h THR 96 N -0.75 1.21 -0.39 4.70 1.35 -0.90 -3.00 112.91 115.14 1wm4 h THR 96 Ca -0.00 -0.66 -0.13 0.00 -0.55 0.00 0.00 66.41 65.06 1wm4 h THR 96 Cb 0.76 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1wm4 h THR 96 CO -0.27 0.19 -0.28 0.44 -0.25 0.00 0.00 175.52 175.36 1wm4 h ASP 97 N -0.03 0.91 0.11 5.36 3.32 0.01 -2.73 116.42 123.38 1wm4 h ASP 97 Ca 0.04 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 1wm4 h ASP 97 Cb 0.28 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1wm4 h ASP 97 CO 0.00 1.15 -0.01 0.07 -1.72 0.00 0.00 179.24 178.73 1wm4 h LYS 98 N 0.68 0.00 -0.07 3.56 5.09 0.11 -1.97 116.57 123.97 1wm4 h LYS 98 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.69 1wm4 h LYS 98 Cb 0.85 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.19 1wm4 h LYS 98 CO 0.07 0.01 -0.43 1.15 -2.09 0.00 0.00 179.45 178.17 1wm4 h THR 99 N 0.00 1.41 0.42 0.07 2.02 -1.33 -1.99 112.91 113.50 1wm4 h THR 99 Ca -0.00 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.33 1wm4 h THR 99 Cb 0.07 2.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1wm4 h THR 99 CO 0.00 0.54 -0.24 -0.07 0.37 0.00 0.00 175.52 176.12 1wm4 h LEU 100 N -0.07 -0.59 -2.02 2.58 4.07 -1.31 -1.10 115.31 116.87 1wm4 h LEU 100 Ca -0.04 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1wm4 h LEU 100 Cb 1.09 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 43.00 1wm4 h LEU 100 CO 0.09 -0.39 -0.06 1.62 -1.08 0.00 0.00 178.44 178.62 1wm4 h VAL 101 N -0.62 0.85 -0.26 1.22 3.04 -1.59 -1.93 116.25 116.97 1wm4 h VAL 101 Ca -0.05 -0.23 -0.16 0.00 -1.01 0.00 0.00 66.70 65.25 1wm4 h VAL 101 Cb 0.50 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1wm4 h VAL 101 CO 0.06 0.06 -0.50 0.50 -1.01 0.00 0.00 177.57 176.69 1wm4 h LYS 102 N 0.00 0.72 0.00 4.17 3.64 -0.62 -2.89 116.57 121.60 1wm4 h LYS 102 Ca -0.00 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1wm4 h LYS 102 Cb 0.13 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1wm4 h LYS 102 CO 0.01 1.05 -0.15 1.49 -2.27 0.00 0.00 179.45 179.58 1wm4 h GLU 103 N 0.57 0.00 -1.11 1.90 4.57 -0.45 -2.96 114.58 117.09 1wm4 h GLU 103 Ca 0.02 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 57.79 1wm4 h GLU 103 Cb 1.06 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.44 1wm4 h GLU 103 CO 0.10 0.15 0.53 0.28 -1.18 0.00 0.00 179.01 178.90 1wm4 n VAL 104 N -3.26 2.80 -3.73 0.32 0.31 -0.97 -4.75 118.33 109.05 1wm4 n VAL 104 Ca 0.01 -1.70 -0.30 0.00 -0.01 0.00 0.00 64.34 62.34 1wm4 n VAL 104 Cb 0.43 -0.87 -0.15 0.00 -0.91 0.00 0.00 33.84 32.35 1wm4 n VAL 104 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wm4 s VAL 105 N -2.77 0.93 -0.01 2.52 1.01 -1.12 -4.92 120.40 116.03 1wm4 s VAL 105 Ca 0.43 -1.52 -0.00 0.00 0.00 0.00 0.00 61.98 60.89 1wm4 s VAL 105 Cb 0.35 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1wm4 s VAL 105 CO 0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 175.10 174.43 1wm4 n GLN 106 N 4.71 0.03 -0.11 2.72 0.00 -1.26 -4.69 117.38 118.78 1wm4 n GLN 106 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 57.00 57.00 1wm4 n GLN 106 Cb 0.41 -0.96 -0.00 0.00 0.00 0.00 0.00 30.24 29.69 1wm4 n GLN 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1wm4 n ASN 107 N -2.61 1.04 -3.72 2.61 6.94 -1.26 -4.64 115.26 113.62 1wm4 n ASN 107 Ca -0.02 -1.32 -0.15 0.00 -0.02 0.00 0.00 54.58 53.07 1wm4 n ASN 107 Cb 0.52 -0.23 -0.08 0.00 -2.36 0.00 0.00 39.78 37.64 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1wm4 s PHE 108 N 1.72 1.29 -0.15 -2.53 -0.71 -1.26 -4.84 117.98 111.49 1wm4 s PHE 108 Ca 0.01 -1.41 -0.12 0.00 -1.04 0.00 0.00 56.93 54.37 1wm4 s PHE 108 Cb 0.01 -0.47 -0.08 0.00 -1.21 0.00 0.00 43.02 41.27 1wm4 s PHE 108 CO 0.00 -0.84 0.01 0.00 -1.34 0.00 0.00 175.22 173.05 1wm4 h ALA 109 N 2.33 0.07 -2.76 1.99 0.00 0.49 -3.47 119.26 117.91 1wm4 h ALA 109 Ca -0.30 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.07 1wm4 h ALA 109 Cb 1.24 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 1wm4 h ALA 109 CO 0.43 0.46 0.32 0.21 0.00 0.00 0.00 179.25 180.67 1wm4 s LYS 110 N -2.18 1.45 0.15 0.00 2.20 -1.23 -5.05 119.74 115.08 1wm4 s LYS 110 Ca -0.17 -0.74 0.04 0.00 -0.36 0.00 0.00 55.97 54.74 1wm4 s LYS 110 Cb 0.02 0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1wm4 s LYS 110 CO 0.31 -0.66 0.16 -1.83 -0.36 0.00 0.00 175.35 172.98 1wm4 s GLU 111 N -3.65 3.02 0.14 4.03 4.04 -1.26 -2.68 118.70 122.34 1wm4 s GLU 111 Ca 0.09 -0.78 0.06 0.00 0.04 0.00 0.00 54.97 54.38 1wm4 s GLU 111 Cb -0.03 -2.73 -0.04 0.00 0.02 0.00 0.00 34.13 31.34 1wm4 s GLU 111 CO 0.01 0.51 -0.14 -0.06 -1.84 0.00 0.00 175.26 173.73 1wm4 s PHE 112 N -1.69 1.49 0.00 4.83 0.08 0.90 -4.88 117.98 118.71 1wm4 s PHE 112 Ca 0.32 -0.57 0.06 0.00 0.12 0.00 0.00 56.93 56.85 1wm4 s PHE 112 Cb -0.11 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1wm4 s PHE 112 CO 0.24 0.20 -0.16 0.08 -0.10 0.00 0.00 175.22 175.48 1wm4 s VAL 113 N -2.40 2.93 0.06 -0.44 1.01 -1.26 -1.97 120.40 118.33 1wm4 s VAL 113 Ca 0.13 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1wm4 s VAL 113 Cb -0.03 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1wm4 s VAL 113 CO 0.04 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.87 1wm4 s ILE 114 N -0.85 0.58 0.00 2.22 -1.09 -1.07 -4.85 121.20 116.15 1wm4 s ILE 114 Ca 0.14 -1.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.13 1wm4 s ILE 114 Cb -0.11 -1.04 0.00 0.00 -1.58 0.00 0.00 42.46 39.74 1wm4 s ILE 114 CO 0.04 -0.59 0.17 -1.20 -1.23 0.00 0.00 174.94 172.13 1wm4 n SER 115 N 0.85 0.00 -3.95 3.58 7.64 -1.26 -4.00 113.62 116.49 1wm4 n SER 115 Ca -0.19 -1.00 -0.09 0.00 1.01 0.00 0.00 58.87 58.60 1wm4 n SER 115 Cb 0.57 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 1wm4 n SER 115 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1wm4 s ASP 116 N 0.00 0.22 0.19 6.43 1.47 -1.26 -4.92 116.67 118.81 1wm4 s ASP 116 Ca 0.00 -0.59 0.02 0.00 1.18 0.00 0.00 52.55 53.16 1wm4 s ASP 116 Cb 0.00 0.22 0.10 0.00 -0.34 0.00 0.00 42.92 42.90 1wm4 s ASP 116 CO 0.00 -0.51 1.46 -0.09 0.68 0.00 0.00 175.17 176.71 1wm4 h ARG 117 N 3.64 0.26 0.00 2.11 2.43 -1.98 -2.71 114.38 118.13 1wm4 h ARG 117 Ca -0.33 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1wm4 h ARG 117 Cb 1.18 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1wm4 h ARG 117 CO 0.52 0.89 0.00 1.63 -1.51 0.00 0.00 179.97 181.49 1wm4 n LYS 118 N -3.78 0.07 0.00 0.20 4.76 -1.26 -1.79 118.16 116.35 1wm4 n LYS 118 Ca -0.03 0.21 0.15 0.00 -2.87 0.00 0.00 58.31 55.76 1wm4 n LYS 118 Cb 0.71 -1.50 0.67 0.00 -1.84 0.00 0.00 35.03 33.07 1wm4 n LYS 118 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wm4 n GLU 119 N -1.44 1.35 -0.04 1.97 1.02 -1.02 -3.28 120.64 119.21 1wm4 n GLU 119 Ca 0.05 -0.58 0.13 0.00 -0.02 0.00 0.00 57.16 56.73 1wm4 n GLU 119 Cb 0.17 -1.49 0.31 0.00 -0.02 0.00 0.00 31.44 30.41 1wm4 n GLU 119 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wm4 n LEU 120 N -0.31 2.30 -4.76 -4.62 7.99 -0.74 -4.56 117.00 112.29 1wm4 n LEU 120 Ca 0.20 -0.83 -0.38 0.00 -0.01 0.00 0.00 56.01 54.99 1wm4 n LEU 120 Cb 0.27 -0.05 0.02 0.00 -0.11 0.00 0.00 43.42 43.55 1wm4 n LEU 120 CO 0.18 0.42 0.95 -1.61 -1.51 0.00 0.00 177.39 175.81 1wm4 s GLU 121 N -1.91 3.42 0.08 3.23 0.41 -1.21 -4.85 118.70 117.87 1wm4 s GLU 121 Ca 0.34 2.12 -0.22 0.00 -0.41 0.00 0.00 54.97 56.80 1wm4 s GLU 121 Cb 0.20 -2.37 -0.14 0.00 -1.78 0.00 0.00 34.13 30.05 1wm4 s GLU 121 CO 0.31 -0.93 1.64 0.93 -0.49 0.00 0.00 175.26 176.72 1wm4 h GLU 122 N 1.79 0.09 -0.09 1.61 5.08 -1.93 -1.45 114.58 119.67 1wm4 h GLU 122 Ca -0.50 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1wm4 h GLU 122 Cb 1.28 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1wm4 h GLU 122 CO 0.59 0.18 0.26 -0.44 -1.00 0.00 0.00 179.01 178.60 1wm4 h ASP 123 N -0.01 0.00 0.02 1.42 5.19 -1.98 1.04 116.42 122.09 1wm4 h ASP 123 Ca 0.02 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.33 1wm4 h ASP 123 Cb 0.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1wm4 h ASP 123 CO -0.00 0.00 -0.52 0.15 -3.12 0.00 0.00 179.24 175.75 1wm4 h PHE 124 N 0.00 0.07 0.00 4.55 3.57 -1.64 -3.15 116.94 120.33 1wm4 h PHE 124 Ca 0.04 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1wm4 h PHE 124 Cb 0.57 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1wm4 h PHE 124 CO 0.00 1.20 -0.31 0.82 -2.23 0.00 0.00 178.31 177.79 1wm4 h ILE 125 N -0.91 0.74 0.18 1.41 1.08 -0.34 -2.99 117.51 116.69 1wm4 h ILE 125 Ca -0.13 -1.35 -0.01 0.00 -0.39 0.00 0.00 64.86 62.98 1wm4 h ILE 125 Cb 1.18 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 1wm4 h ILE 125 CO -0.05 0.30 -0.09 0.03 -0.69 0.00 0.00 178.15 177.66 1wm4 h ARG 126 N 0.00 -0.24 -0.06 2.37 3.08 0.98 -1.88 114.38 118.63 1wm4 h ARG 126 Ca -0.00 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1wm4 h ARG 126 Cb 0.84 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1wm4 h ARG 126 CO 0.04 0.04 0.08 1.03 -1.07 0.00 0.00 179.97 180.08 1wm4 h SER 127 N -0.50 0.00 -0.18 7.04 0.87 -1.50 -0.44 113.55 118.84 1wm4 h SER 127 Ca -0.02 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.33 1wm4 h SER 127 Cb 0.38 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1wm4 h SER 127 CO 0.04 0.00 -0.67 -0.33 -0.53 0.00 0.00 176.83 175.34 1wm4 h GLU 128 N 0.00 0.78 0.10 2.24 4.39 -1.25 -2.41 114.58 118.42 1wm4 h GLU 128 Ca 0.03 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 59.13 1wm4 h GLU 128 Cb 0.18 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1wm4 h GLU 128 CO -0.00 1.21 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.94 1wm4 h LEU 129 N 0.51 -0.11 0.00 1.33 3.38 -0.40 -2.95 115.31 117.06 1wm4 h LEU 129 Ca -0.03 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1wm4 h LEU 129 Cb 1.30 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1wm4 h LEU 129 CO 0.14 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.46 1wm4 n LYS 130 N -4.86 0.00 0.06 1.13 4.01 -0.32 -2.52 118.16 115.67 1wm4 n LYS 130 Ca -0.08 0.36 -0.04 0.00 -0.51 0.00 0.00 58.31 58.04 1wm4 n LYS 130 Cb 0.29 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.29 1wm4 n LYS 130 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1wm4 h LYS 131 N 0.00 -0.24 -3.04 1.97 1.57 -1.24 -3.44 116.57 112.14 1wm4 h LYS 131 Ca 0.00 0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 1wm4 h LYS 131 Cb 0.01 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 31.97 1wm4 h LYS 131 CO 0.00 -0.16 -0.77 0.00 -0.57 0.00 0.00 179.45 177.95 1wm4 s ALA 132 N -3.19 0.78 -0.35 3.86 0.00 -1.05 -4.97 121.76 116.84 1wm4 s ALA 132 Ca -0.04 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 50.99 1wm4 s ALA 132 Cb 0.00 -1.35 0.34 0.00 0.00 0.00 0.00 23.12 22.11 1wm4 s ALA 132 CO 0.11 -1.53 1.33 0.41 0.00 0.00 0.00 175.76 176.09 1wm4 n GLY 133 N 5.17 1.18 1.03 0.00 0.00 -1.24 -4.89 105.19 106.43 1wm4 n GLY 133 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.84 -1.55 3.45 -0.02 0.00 -1.26 -4.98 105.19 99.99 1wm4 n GLY 134 Ca -0.10 0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.77 1.26 -2.99 4.61 0.00 -1.26 -4.71 120.51 115.65 1wm4 n ALA 135 Ca 0.00 -2.74 -0.39 0.00 0.00 0.00 0.00 53.44 50.30 1wm4 n ALA 135 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 19.45 15.83 1wm4 n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wm4 n ASN 136 N 11.53 6.13 -0.11 0.00 4.05 -1.26 -4.68 115.26 130.93 1wm4 n ASN 136 Ca 0.46 -3.49 -0.16 0.00 0.45 0.00 0.00 54.58 51.84 1wm4 n ASN 136 Cb 0.43 -1.12 -0.13 0.00 1.23 0.00 0.00 39.78 40.19 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wm4 n TYR 137 N 0.87 0.16 -0.45 1.20 9.36 -1.26 -4.27 117.16 122.76 1wm4 n TYR 137 Ca 0.31 0.04 0.37 0.00 3.32 0.00 0.00 57.90 61.94 1wm4 n TYR 137 Cb 0.33 -1.02 0.66 0.00 -0.63 0.00 0.00 39.34 38.68 1wm4 n TYR 137 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 1wm4 h ASP 138 N 0.01 0.22 0.00 2.98 2.03 -2.01 -3.42 116.42 116.23 1wm4 h ASP 138 Ca -0.55 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1wm4 h ASP 138 Cb 2.01 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 40.60 1wm4 h ASP 138 CO -0.03 -0.12 0.00 0.00 -1.03 0.00 0.00 179.24 178.05 1wm4 n ALA 139 N -2.58 0.00 -2.53 4.15 0.00 -1.26 -4.85 120.51 113.45 1wm4 n ALA 139 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 1wm4 n ALA 139 Cb 1.43 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1wm4 n ALA 139 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wm4 s GLN 140 N -1.07 3.34 -0.40 0.00 -0.21 -1.26 -5.02 119.66 115.04 1wm4 s GLN 140 Ca 0.00 -0.29 -0.21 0.00 0.02 0.00 0.00 55.36 54.88 1wm4 s GLN 140 Cb 0.00 -3.93 0.01 0.00 1.00 0.00 0.00 33.01 30.09 1wm4 s GLN 140 CO 0.00 -1.00 0.68 -1.12 -2.12 0.00 0.00 175.29 171.73 1wm4 s SER 141 N 2.00 6.40 0.00 5.90 0.01 -1.26 -5.17 113.70 121.58 1wm4 s SER 141 Ca 0.24 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1wm4 s SER 141 Cb -0.14 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1wm4 s SER 141 CO 0.19 -0.73 0.00 1.21 0.41 0.00 0.00 173.24 174.32