#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmy s PHE 6 N 0.00 1.87 -0.19 1.12 0.08 -1.26 -4.80 117.98 114.79 2wmy s PHE 6 Ca 0.00 0.59 0.09 0.00 0.12 0.00 0.00 56.93 57.73 2wmy s PHE 6 Cb 0.00 -4.23 -0.22 0.00 -0.57 0.00 0.00 43.02 38.00 2wmy s PHE 6 CO 0.00 -2.27 0.09 -0.25 -0.10 0.00 0.00 175.22 172.69 2wmy n ASP 7 N 11.54 1.08 -4.63 1.36 8.00 -1.26 -4.91 116.55 127.72 2wmy n ASP 7 Ca 0.17 0.04 -0.34 0.00 0.71 0.00 0.00 54.79 55.36 2wmy n ASP 7 Cb 0.51 0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.63 2wmy n ASP 7 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2wmy s SER 8 N -6.13 5.01 -0.07 -2.24 0.01 -1.26 -2.24 113.70 106.78 2wmy s SER 8 Ca -0.19 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2wmy s SER 8 Cb 0.07 -1.42 0.02 0.00 0.21 0.00 0.00 66.02 64.90 2wmy s SER 8 CO 0.74 0.35 -0.09 -0.63 0.41 0.00 0.00 173.24 174.02 2wmy s ILE 9 N -0.71 0.95 -0.32 1.44 1.01 0.11 -2.10 121.20 121.58 2wmy s ILE 9 Ca 0.11 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 2wmy s ILE 9 Cb -0.12 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.48 2wmy s ILE 9 CO 0.02 0.32 0.08 -0.22 0.00 0.00 0.00 174.94 175.14 2wmy s LEU 10 N 0.94 4.07 -0.08 2.97 2.96 0.63 -1.73 118.68 128.44 2wmy s LEU 10 Ca -0.10 -1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 52.59 2wmy s LEU 10 Cb -0.15 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2wmy s LEU 10 CO 0.01 -0.27 0.57 -0.69 -1.32 0.00 0.00 176.35 174.64 2wmy s VAL 11 N 1.41 5.08 -0.06 1.68 1.01 -0.07 -0.86 120.40 128.59 2wmy s VAL 11 Ca -0.01 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.15 2wmy s VAL 11 Cb -0.19 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2wmy s VAL 11 CO 0.02 0.33 -0.08 -0.63 0.00 0.00 0.00 175.10 174.73 2wmy s ILE 12 N 0.46 0.88 0.00 2.22 1.01 0.10 -1.08 121.20 124.79 2wmy s ILE 12 Ca 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2wmy s ILE 12 Cb -0.17 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2wmy s ILE 12 CO 0.14 0.31 0.00 0.00 0.00 0.00 0.00 174.94 175.39 2wmy n THR 14 N 0.00 0.34 0.37 0.00 -1.04 -1.26 -1.55 114.28 111.15 2wmy n THR 14 Ca 0.00 0.42 0.14 0.00 -2.04 0.00 0.00 64.05 62.56 2wmy n THR 14 Cb 0.00 -1.69 0.43 0.00 -1.82 0.00 0.00 70.33 67.25 2wmy n THR 14 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2wmy h GLY 15 N -0.23 0.00 -4.34 3.41 0.00 -1.93 0.13 103.07 100.11 2wmy h GLY 15 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2wmy h GLY 15 CO 0.00 0.00 -0.50 -2.01 0.00 0.00 0.00 176.54 174.03 2wmy n ASN 16 N -2.70 -4.82 0.00 0.19 4.05 -1.26 -1.91 115.26 108.81 2wmy n ASN 16 Ca 0.03 -0.14 0.00 0.00 0.45 0.00 0.00 54.58 54.92 2wmy n ASN 16 Cb 0.38 -3.98 0.00 0.00 1.23 0.00 0.00 39.78 37.41 2wmy n ASN 16 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2wmy n ILE 17 N -3.97 0.00 0.00 -1.44 -5.35 -1.26 -4.43 119.36 102.91 2wmy n ILE 17 Ca -0.12 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2wmy n ILE 17 Cb 0.61 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 2wmy n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wmy h ARG 19 N 0.00 -0.25 -0.17 0.00 3.08 -1.95 -3.24 114.38 111.86 2wmy h ARG 19 Ca 0.00 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 2wmy h ARG 19 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2wmy h ARG 19 CO 0.00 0.11 -0.31 0.66 -1.07 0.00 0.00 179.97 179.36 2wmy h SER 20 N -0.65 0.33 -0.34 7.04 4.64 -1.90 0.14 113.55 122.81 2wmy h SER 20 Ca -0.03 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2wmy h SER 20 Cb 0.47 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2wmy h SER 20 CO 0.04 0.63 0.22 -0.65 -0.87 0.00 0.00 176.83 176.20 2wmy h PRO 21 N 0.29 0.46 -0.04 4.77 0.11 -1.85 0.23 132.00 135.96 2wmy h PRO 21 Ca 0.04 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wmy h PRO 21 Cb 0.69 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 2wmy h PRO 21 CO 0.05 0.32 0.02 0.82 -0.21 0.00 0.00 178.00 179.01 2wmy h ILE 22 N 0.45 1.08 -0.35 4.15 2.04 -1.52 -1.70 117.51 121.65 2wmy h ILE 22 Ca 0.12 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2wmy h ILE 22 Cb -0.02 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2wmy h ILE 22 CO -0.02 0.06 0.14 1.23 0.00 0.00 0.00 178.15 179.56 2wmy h GLY 23 N -0.03 0.46 0.11 5.37 0.00 -0.81 -0.51 103.07 107.67 2wmy h GLY 23 Ca 0.01 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.34 2wmy h GLY 23 CO -0.00 0.05 -0.13 -2.09 0.00 0.00 0.00 176.54 174.36 2wmy h GLU 24 N 0.30 -0.04 -0.04 4.80 4.81 -0.39 -1.19 114.58 122.82 2wmy h GLU 24 Ca 0.16 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 2wmy h GLU 24 Cb 0.11 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2wmy h GLU 24 CO -0.14 -0.03 -0.76 0.00 -0.73 0.00 0.00 179.01 177.35 2wmy h ARG 25 N -0.04 0.30 -0.34 1.92 2.47 -0.72 -0.62 114.38 117.35 2wmy h ARG 25 Ca 0.20 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2wmy h ARG 25 Cb 0.35 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 2wmy h ARG 25 CO -0.45 0.93 0.18 -0.07 0.56 0.00 0.00 179.97 181.12 2wmy h LEU 26 N 0.20 0.42 -0.23 3.04 3.38 -0.83 -2.72 115.31 118.56 2wmy h LEU 26 Ca -0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2wmy h LEU 26 Cb 1.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2wmy h LEU 26 CO 0.12 0.39 -0.04 -0.07 0.09 0.00 0.00 178.44 178.93 2wmy h LEU 27 N 0.42 0.45 -0.78 1.67 3.38 -1.08 -3.00 115.31 116.37 2wmy h LEU 27 Ca 0.12 -0.35 0.18 0.00 0.09 0.00 0.00 57.88 57.92 2wmy h LEU 27 Cb 0.06 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.57 2wmy h LEU 27 CO -0.02 0.70 0.11 0.03 0.09 0.00 0.00 178.44 179.34 2wmy h ARG 28 N 0.19 0.16 0.00 1.13 3.08 -1.03 0.65 114.38 118.56 2wmy h ARG 28 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2wmy h ARG 28 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2wmy h ARG 28 CO 0.02 0.11 0.00 0.07 -1.07 0.00 0.00 179.97 179.10 2wmy h ARG 29 N 0.17 0.00 0.10 0.04 0.11 -1.45 -2.62 114.38 110.72 2wmy h ARG 29 Ca 0.45 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 60.20 2wmy h ARG 29 Cb 0.82 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.88 2wmy h ARG 29 CO -0.62 0.00 -1.76 -0.07 0.10 0.00 0.00 179.97 177.62 2wmy h LEU 30 N 0.00 0.31 -6.23 0.08 3.38 -0.63 -3.41 115.31 108.81 2wmy h LEU 30 Ca 0.00 -0.58 -0.59 0.00 0.09 0.00 0.00 57.88 56.80 2wmy h LEU 30 Cb 0.75 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 40.99 2wmy h LEU 30 CO 0.00 1.51 -0.75 0.18 0.09 0.00 0.00 178.44 179.47 2wmy n LEU 31 N -3.37 2.52 0.28 1.67 4.77 0.20 -4.97 117.00 118.09 2wmy n LEU 31 Ca -0.23 -5.17 0.15 0.00 -0.03 0.00 0.00 56.01 50.74 2wmy n LEU 31 Cb 1.05 -0.26 0.89 0.00 -2.33 0.00 0.00 43.42 42.77 2wmy n LEU 31 CO 0.46 2.02 1.13 1.55 -1.33 0.00 0.00 177.39 181.23 2wmy h PRO 32 N 4.31 0.00 0.00 3.23 0.13 -1.71 -2.42 132.00 135.54 2wmy h PRO 32 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2wmy h PRO 32 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2wmy h PRO 32 CO 0.70 0.00 -0.37 -1.13 -0.23 0.00 0.00 178.00 176.97 2wmy n SER 33 N -3.85 0.54 -4.86 1.44 3.41 -1.26 -4.90 113.62 104.15 2wmy n SER 33 Ca -0.02 0.18 -0.32 0.00 -0.26 0.00 0.00 58.87 58.45 2wmy n SER 33 Cb 0.14 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 2wmy n SER 33 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wmy s LYS 34 N -3.08 3.91 -0.45 4.33 1.02 -0.91 -5.03 119.74 119.52 2wmy s LYS 34 Ca 0.10 0.54 -0.26 0.00 0.02 0.00 0.00 55.97 56.37 2wmy s LYS 34 Cb 0.15 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 2wmy s LYS 34 CO 0.66 0.16 0.93 0.21 -0.92 0.00 0.00 175.35 176.39 2wmy s LYS 35 N -3.12 3.56 -0.11 1.68 2.20 -0.95 -5.01 119.74 118.00 2wmy s LYS 35 Ca 0.52 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 2wmy s LYS 35 Cb -0.10 -3.92 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 2wmy s LYS 35 CO 0.21 -1.20 -0.10 0.42 -0.36 0.00 0.00 175.35 174.31 2wmy s ILE 36 N 3.75 1.17 0.24 5.43 1.01 -1.26 -0.72 121.20 130.82 2wmy s ILE 36 Ca 0.37 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2wmy s ILE 36 Cb -0.10 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 2wmy s ILE 36 CO 0.26 0.38 0.14 0.59 0.00 0.00 0.00 174.94 176.31 2wmy n ASN 37 N 4.59 0.29 -3.99 3.58 3.02 -0.71 -5.00 115.26 117.04 2wmy n ASN 37 Ca -0.16 -2.43 -0.09 0.00 -0.03 0.00 0.00 54.58 51.87 2wmy n ASN 37 Cb 0.51 0.90 -0.08 0.00 -0.61 0.00 0.00 39.78 40.49 2wmy n ASN 37 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2wmy s SER 38 N -2.58 0.15 0.28 6.41 1.04 -1.26 -0.89 113.70 116.85 2wmy s SER 38 Ca 0.20 -0.91 -0.21 0.00 0.48 0.00 0.00 55.95 55.52 2wmy s SER 38 Cb 0.01 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.53 2wmy s SER 38 CO 0.14 -0.80 0.74 0.00 0.98 0.00 0.00 173.24 174.30 2wmy s ALA 39 N -3.96 -1.19 0.04 5.32 0.00 -0.24 -4.73 121.76 117.00 2wmy s ALA 39 Ca 0.15 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.81 2wmy s ALA 39 Cb 0.05 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 2wmy s ALA 39 CO -0.03 -1.03 -0.11 0.20 0.00 0.00 0.00 175.76 174.79 2wmy s GLY 40 N -2.94 0.63 0.33 0.00 0.00 0.28 -2.15 107.32 103.46 2wmy s GLY 40 Ca 0.12 -0.74 0.18 0.00 0.00 0.00 0.00 44.72 44.28 2wmy s GLY 40 CO 0.07 -0.75 1.47 -0.39 0.00 0.00 0.00 173.10 173.51 2wmy h VAL 41 N 4.55 0.49 -1.45 1.40 -1.51 -0.91 0.38 116.25 119.19 2wmy h VAL 41 Ca -0.36 -1.70 -0.54 0.00 -1.23 0.00 0.00 66.70 62.87 2wmy h VAL 41 Cb 1.19 2.22 -0.42 0.00 -2.13 0.00 0.00 31.29 32.15 2wmy h VAL 41 CO 0.43 0.28 -0.83 0.61 -1.23 0.00 0.00 177.57 176.83 2wmy n GLY 42 N 1.18 5.06 3.77 5.19 0.00 0.38 -4.85 105.19 115.92 2wmy n GLY 42 Ca 0.02 -2.46 -0.39 0.00 0.00 0.00 0.00 46.02 43.19 2wmy n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmy s ALA 43 N -3.44 3.22 -0.97 4.61 0.00 -0.82 -3.98 121.76 120.37 2wmy s ALA 43 Ca 0.44 1.11 -0.19 0.00 0.00 0.00 0.00 51.96 53.31 2wmy s ALA 43 Cb 0.41 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 20.21 2wmy s ALA 43 CO -0.14 -0.68 1.22 -0.51 0.00 0.00 0.00 175.76 175.66 2wmy s LEU 44 N -2.42 4.73 0.11 0.00 1.43 -0.80 -4.92 118.68 116.82 2wmy s LEU 44 Ca 0.56 -2.01 -0.31 0.00 -1.03 0.00 0.00 54.13 51.35 2wmy s LEU 44 Cb -0.35 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 2wmy s LEU 44 CO 0.44 -1.13 1.70 -0.69 0.23 0.00 0.00 176.35 176.91 2wmy s VAL 45 N 3.07 2.73 0.00 -1.59 1.01 -1.26 -2.02 120.40 122.34 2wmy s VAL 45 Ca 0.36 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2wmy s VAL 45 Cb -0.04 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2wmy s VAL 45 CO -0.09 0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.49 2wmy n ASP 46 N 5.25 -1.57 -4.78 3.32 10.43 -0.42 -4.90 116.55 123.88 2wmy n ASP 46 Ca 0.16 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.14 2wmy n ASP 46 Cb 0.39 -0.65 -0.06 0.00 1.84 0.00 0.00 41.12 42.64 2wmy n ASP 46 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 2wmy s HIS 47 N -2.77 3.78 1.10 1.24 3.76 -0.85 -4.65 115.29 116.89 2wmy s HIS 47 Ca 0.00 1.68 -0.13 0.00 -0.15 0.00 0.00 55.06 56.47 2wmy s HIS 47 Cb 0.00 -2.83 0.25 0.00 1.11 0.00 0.00 32.58 31.11 2wmy s HIS 47 CO 0.00 0.35 1.06 0.95 -0.85 0.00 0.00 174.74 176.24 2wmy s THR 48 N -1.42 1.99 0.67 1.30 -4.23 -1.26 -0.78 115.64 111.90 2wmy s THR 48 Ca 0.44 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.78 2wmy s THR 48 Cb -0.20 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2wmy s THR 48 CO 0.25 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.56 2wmy s ALA 49 N -2.72 2.32 0.61 3.99 0.00 -1.26 -4.81 121.76 119.89 2wmy s ALA 49 Ca 0.67 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 2wmy s ALA 49 Cb -0.22 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2wmy s ALA 49 CO 0.61 -1.58 1.27 0.34 0.00 0.00 0.00 175.76 176.40 2wmy s ASP 50 N -1.75 4.96 0.22 0.00 2.15 -0.35 -4.82 116.67 117.08 2wmy s ASP 50 Ca 0.77 2.55 -0.08 0.00 0.43 0.00 0.00 52.55 56.22 2wmy s ASP 50 Cb -0.31 -2.61 0.17 0.00 -0.30 0.00 0.00 42.92 39.86 2wmy s ASP 50 CO 0.40 -1.76 1.81 -0.33 -0.17 0.00 0.00 175.17 175.11 2wmy h GLU 51 N 0.84 1.19 -0.33 4.34 5.08 -1.92 -0.77 114.58 123.01 2wmy h GLU 51 Ca -0.51 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 57.56 2wmy h GLU 51 Cb 1.32 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2wmy h GLU 51 CO 0.55 0.92 -0.26 0.77 -1.00 0.00 0.00 179.01 179.99 2wmy h SER 52 N 1.17 0.68 -0.22 1.42 0.02 -1.97 -1.66 113.55 112.98 2wmy h SER 52 Ca 0.28 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2wmy h SER 52 Cb 0.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2wmy h SER 52 CO -0.03 0.91 0.11 0.00 -1.14 0.00 0.00 176.83 176.68 2wmy h ALA 53 N 1.13 0.28 -0.71 3.77 0.00 -1.75 -1.86 119.26 120.12 2wmy h ALA 53 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wmy h ALA 53 Cb 0.75 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2wmy h ALA 53 CO 0.06 -0.17 0.47 0.82 0.00 0.00 0.00 179.25 180.43 2wmy h ILE 54 N 0.24 1.17 0.19 0.00 2.04 -1.07 -1.82 117.51 118.27 2wmy h ILE 54 Ca 0.08 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2wmy h ILE 54 Cb 0.09 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2wmy h ILE 54 CO -0.01 0.17 -0.09 -0.09 0.00 0.00 0.00 178.15 178.13 2wmy h ARG 55 N 0.96 -0.25 -0.04 2.37 2.43 -0.80 -1.25 114.38 117.80 2wmy h ARG 55 Ca 0.26 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 2wmy h ARG 55 Cb -0.09 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2wmy h ARG 55 CO -0.06 -0.05 -0.50 -0.24 -1.51 0.00 0.00 179.97 177.62 2wmy h VAL 56 N -0.42 1.36 0.66 0.20 3.04 -1.28 -0.11 116.25 119.70 2wmy h VAL 56 Ca -0.03 -1.73 -0.03 0.00 -1.01 0.00 0.00 66.70 63.90 2wmy h VAL 56 Cb 0.32 1.88 0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2wmy h VAL 56 CO 0.04 0.50 -0.32 0.00 -1.01 0.00 0.00 177.57 176.79 2wmy h ALA 57 N 1.40 -0.99 -0.65 3.17 0.00 -1.24 -2.91 119.26 118.05 2wmy h ALA 57 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2wmy h ALA 57 Cb 0.92 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2wmy h ALA 57 CO 0.07 -0.92 0.43 0.93 0.00 0.00 0.00 179.25 179.76 2wmy h GLU 58 N -1.11 0.79 -1.07 0.00 5.08 -0.80 0.49 114.58 117.96 2wmy h GLU 58 Ca -0.09 -0.05 0.29 0.00 -1.00 0.00 0.00 59.36 58.51 2wmy h GLU 58 Cb 0.68 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 2wmy h GLU 58 CO 0.15 0.52 0.68 -0.22 -1.00 0.00 0.00 179.01 179.14 2wmy h LYS 59 N 0.81 0.36 -0.42 2.33 3.64 -1.05 -1.35 116.57 120.89 2wmy h LYS 59 Ca 0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2wmy h LYS 59 Cb 0.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2wmy h LYS 59 CO -0.06 0.24 0.00 0.09 -2.27 0.00 0.00 179.45 177.45 2wmy n ASN 60 N -4.70 4.83 -0.66 4.20 3.02 0.16 -4.94 115.26 117.16 2wmy n ASN 60 Ca 0.27 -2.97 -0.09 0.00 -0.03 0.00 0.00 54.58 51.77 2wmy n ASN 60 Cb 0.94 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 2wmy n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wmy n GLY 61 N 0.07 1.03 3.77 7.41 0.00 -0.51 -5.01 105.19 111.95 2wmy n GLY 61 Ca 0.25 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2wmy n GLY 61 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wmy s LEU 62 N -1.97 4.05 -0.16 0.99 2.96 -0.40 -4.96 118.68 119.19 2wmy s LEU 62 Ca 0.00 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2wmy s LEU 62 Cb 0.00 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2wmy s LEU 62 CO 0.00 0.34 -0.07 0.00 -1.32 0.00 0.00 176.35 175.29 2wmy n LEU 64 N 3.72 3.38 -4.74 0.00 4.77 -1.26 -4.95 117.00 117.91 2wmy n LEU 64 Ca -0.18 -2.10 -0.37 0.00 -0.03 0.00 0.00 56.01 53.33 2wmy n LEU 64 Cb 0.52 -0.34 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2wmy n LEU 64 CO 0.31 0.80 0.93 -0.54 -1.33 0.00 0.00 177.39 177.56 2wmy s LYS 65 N -1.18 2.91 0.00 3.23 1.02 -1.26 -2.81 119.74 121.64 2wmy s LYS 65 Ca 0.33 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.41 2wmy s LYS 65 Cb 0.18 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2wmy s LYS 65 CO 0.20 -1.33 0.00 0.41 -0.92 0.00 0.00 175.35 173.72 2wmy n GLY 66 N 0.75 1.22 3.77 -3.33 0.00 -1.26 -5.04 105.19 101.31 2wmy n GLY 66 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2wmy n GLY 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wmy s HIS 67 N -2.49 2.82 -0.06 1.61 5.04 -1.12 -5.04 115.29 116.05 2wmy s HIS 67 Ca 0.00 1.54 -0.02 0.00 -1.54 0.00 0.00 55.06 55.04 2wmy s HIS 67 Cb 0.00 -3.33 0.04 0.00 0.04 0.00 0.00 32.58 29.33 2wmy s HIS 67 CO 0.00 -1.48 0.11 0.50 -2.34 0.00 0.00 174.74 171.53 2wmy s ARG 68 N -2.93 -0.01 0.17 2.88 3.52 -1.26 -4.56 118.95 116.75 2wmy s ARG 68 Ca 0.67 0.43 -0.34 0.00 -0.13 0.00 0.00 55.73 56.37 2wmy s ARG 68 Cb -0.26 -0.35 -0.14 0.00 -1.56 0.00 0.00 34.95 32.64 2wmy s ARG 68 CO 0.31 -0.29 1.56 0.41 -0.81 0.00 0.00 175.30 176.48 2wmy n GLY 69 N 5.09 1.09 2.92 8.12 0.00 0.04 -4.79 105.19 117.64 2wmy n GLY 69 Ca -0.09 0.64 -0.21 0.00 0.00 0.00 0.00 46.02 46.36 2wmy n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wmy s THR 70 N 0.80 0.63 0.01 2.61 2.01 -1.26 -1.30 115.64 119.14 2wmy s THR 70 Ca 0.78 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 2wmy s THR 70 Cb -0.68 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 2wmy s THR 70 CO 0.39 0.24 1.07 -0.75 -0.69 0.00 0.00 174.62 174.89 2wmy s LYS 71 N 0.85 4.49 0.19 4.92 2.47 -1.26 -0.56 119.74 130.84 2wmy s LYS 71 Ca -0.12 1.55 -0.30 0.00 -1.56 0.00 0.00 55.97 55.54 2wmy s LYS 71 Cb -0.15 -3.44 -0.09 0.00 -1.46 0.00 0.00 37.83 32.70 2wmy s LYS 71 CO 0.01 -0.18 1.31 0.12 0.16 0.00 0.00 175.35 176.78 2wmy s PHE 72 N 1.22 3.26 0.03 4.03 5.36 0.13 -4.74 117.98 127.27 2wmy s PHE 72 Ca 0.54 1.21 -0.03 0.00 -0.96 0.00 0.00 56.93 57.70 2wmy s PHE 72 Cb -0.24 -3.61 -0.02 0.00 -0.34 0.00 0.00 43.02 38.82 2wmy s PHE 72 CO 0.27 -1.90 0.02 0.95 -1.46 0.00 0.00 175.22 173.10 2wmy s THR 73 N 0.16 0.14 0.30 0.12 -4.23 -1.26 -4.88 115.64 105.99 2wmy s THR 73 Ca 0.57 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2wmy s THR 73 Cb -0.36 -0.74 0.28 0.00 1.34 0.00 0.00 72.50 73.02 2wmy s THR 73 CO 0.38 -0.63 1.89 0.77 -0.54 0.00 0.00 174.62 176.49 2wmy h SER 74 N 3.99 0.90 -0.58 3.99 4.64 -1.96 -1.07 113.55 123.46 2wmy h SER 74 Ca -0.32 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 2wmy h SER 74 Cb 1.19 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 2wmy h SER 74 CO 0.49 0.55 0.30 0.00 -0.87 0.00 0.00 176.83 177.30 2wmy h ALA 75 N 1.52 0.75 -0.60 5.18 0.00 -1.96 -1.95 119.26 122.20 2wmy h ALA 75 Ca 0.42 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 2wmy h ALA 75 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wmy h ALA 75 CO -0.18 -0.04 0.09 1.25 0.00 0.00 0.00 179.25 180.37 2wmy h LEU 76 N 0.56 0.95 -1.86 0.00 5.85 -1.76 -2.88 115.31 116.19 2wmy h LEU 76 Ca 0.26 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2wmy h LEU 76 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2wmy h LEU 76 CO -0.18 0.98 0.30 0.00 -0.34 0.00 0.00 178.44 179.20 2wmy h ALA 77 N 1.01 2.20 0.00 1.25 0.00 -0.48 -0.66 119.26 122.58 2wmy h ALA 77 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wmy h ALA 77 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wmy h ALA 77 CO 0.01 -0.31 0.00 0.54 0.00 0.00 0.00 179.25 179.50 2wmy n ARG 78 N -4.45 0.14 -0.03 0.00 1.74 -0.92 -2.27 116.66 110.87 2wmy n ARG 78 Ca 0.07 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.77 2wmy n ARG 78 Cb 0.40 -1.83 0.43 0.00 -1.02 0.00 0.00 32.46 30.43 2wmy n ARG 78 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2wmy n GLN 79 N -2.11 1.80 -4.19 5.56 7.27 -0.25 -4.90 117.38 120.56 2wmy n GLN 79 Ca 0.01 -1.17 -0.16 0.00 0.07 0.00 0.00 57.00 55.75 2wmy n GLN 79 Cb 0.14 -1.46 -0.13 0.00 2.41 0.00 0.00 30.24 31.20 2wmy n GLN 79 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2wmy s TYR 80 N -1.93 0.86 -0.18 3.69 2.02 -0.96 -4.91 117.35 115.94 2wmy s TYR 80 Ca 0.36 -0.37 0.18 0.00 -0.37 0.00 0.00 57.07 56.87 2wmy s TYR 80 Cb 0.20 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 2wmy s TYR 80 CO 0.31 -0.02 1.09 -0.44 -1.57 0.00 0.00 175.55 174.92 2wmy h ASP 81 N 4.91 0.00 -3.44 2.29 3.32 -1.76 -3.46 116.42 118.28 2wmy h ASP 81 Ca -0.35 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.46 2wmy h ASP 81 Cb 1.19 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 2wmy h ASP 81 CO 0.43 0.37 -0.59 -0.22 -1.72 0.00 0.00 179.24 177.52 2wmy s LEU 82 N -5.87 0.72 -0.14 1.55 2.96 -0.89 -4.87 118.68 112.14 2wmy s LEU 82 Ca 0.00 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2wmy s LEU 82 Cb 0.08 0.40 -0.02 0.00 0.50 0.00 0.00 46.19 47.15 2wmy s LEU 82 CO 0.78 -0.15 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.82 2wmy s LEU 83 N 1.14 3.01 -0.20 -0.68 1.02 -0.46 -0.27 118.68 122.24 2wmy s LEU 83 Ca -0.09 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 53.86 2wmy s LEU 83 Cb -0.11 -1.70 0.03 0.00 0.02 0.00 0.00 46.19 44.43 2wmy s LEU 83 CO -0.06 0.18 -0.16 -0.76 0.02 0.00 0.00 176.35 175.56 2wmy s LEU 84 N 0.29 2.54 0.17 1.79 1.43 -0.04 -0.53 118.68 124.34 2wmy s LEU 84 Ca -0.06 -0.84 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 2wmy s LEU 84 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2wmy s LEU 84 CO 0.04 -0.05 0.01 0.68 0.23 0.00 0.00 176.35 177.26 2wmy s VAL 85 N 1.25 3.81 0.09 -1.59 -7.23 -0.04 0.01 120.40 116.71 2wmy s VAL 85 Ca 0.01 -1.39 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 2wmy s VAL 85 Cb -0.15 -2.92 -0.18 0.00 0.56 0.00 0.00 36.38 33.69 2wmy s VAL 85 CO -0.10 -0.11 1.26 0.24 -0.31 0.00 0.00 175.10 176.08 2wmy h MET 86 N 2.67 0.75 -6.12 4.82 0.00 -1.69 0.13 114.93 115.48 2wmy h MET 86 Ca -0.47 -0.69 -0.56 0.00 0.00 0.00 0.00 59.70 57.99 2wmy h MET 86 Cb 1.20 0.17 -0.19 0.00 0.00 0.00 0.00 31.60 32.78 2wmy h MET 86 CO 0.59 1.28 -0.80 -1.21 0.00 0.00 0.00 176.91 176.76 2wmy s GLU 87 N -3.58 1.27 0.25 1.72 2.02 -1.26 -0.87 118.70 118.25 2wmy s GLU 87 Ca -0.10 -1.35 -0.03 0.00 0.02 0.00 0.00 54.97 53.51 2wmy s GLU 87 Cb 0.08 -1.43 0.50 0.00 0.10 0.00 0.00 34.13 33.37 2wmy s GLU 87 CO 0.91 0.31 1.73 1.88 0.02 0.00 0.00 175.26 180.11 2wmy h TYR 88 N 3.51 0.55 0.00 1.61 0.05 -1.95 -0.44 116.97 120.30 2wmy h TYR 88 Ca -0.44 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 2wmy h TYR 88 Cb 1.20 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.81 2wmy h TYR 88 CO 0.66 0.06 -0.07 0.66 -1.05 0.00 0.00 178.16 178.42 2wmy h SER 89 N 0.46 0.00 0.49 3.88 4.64 -2.01 -1.32 113.55 119.69 2wmy h SER 89 Ca 0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.73 2wmy h SER 89 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2wmy h SER 89 CO -0.42 0.07 -0.15 0.45 -0.87 0.00 0.00 176.83 175.91 2wmy h HIS 90 N 0.00 0.00 -0.22 4.77 3.86 -1.47 -2.83 115.15 119.25 2wmy h HIS 90 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2wmy h HIS 90 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2wmy h HIS 90 CO 0.00 0.15 0.06 -0.07 0.86 0.00 0.00 177.93 178.93 2wmy h LEU 91 N 0.00 0.33 -1.15 2.43 3.38 -1.22 -1.73 115.31 117.34 2wmy h LEU 91 Ca -0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2wmy h LEU 91 Cb 0.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2wmy h LEU 91 CO 0.02 0.46 -0.01 -0.33 0.09 0.00 0.00 178.44 178.67 2wmy h GLU 92 N 0.18 0.58 -0.43 1.13 4.39 -1.61 -0.77 114.58 118.06 2wmy h GLU 92 Ca 0.07 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 2wmy h GLU 92 Cb 0.25 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2wmy h GLU 92 CO -0.00 0.61 -0.30 1.96 -1.16 0.00 0.00 179.01 180.12 2wmy h GLN 93 N 0.55 0.95 -0.02 2.33 4.20 -1.31 -2.56 115.11 119.27 2wmy h GLN 93 Ca 0.12 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.27 2wmy h GLN 93 Cb 0.36 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2wmy h GLN 93 CO 0.01 1.12 -0.43 0.82 -0.67 0.00 0.00 178.83 179.68 2wmy h ILE 94 N 0.79 1.31 -0.22 2.54 2.04 -1.13 -0.47 117.51 122.38 2wmy h ILE 94 Ca 0.08 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.49 2wmy h ILE 94 Cb 0.89 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 2wmy h ILE 94 CO 0.08 0.43 -0.10 0.28 0.00 0.00 0.00 178.15 178.84 2wmy h SER 95 N 0.03 -0.35 0.53 1.72 0.02 -0.74 0.94 113.55 115.70 2wmy h SER 95 Ca -0.00 0.09 -0.29 0.00 -0.84 0.00 0.00 61.79 60.74 2wmy h SER 95 Cb 0.78 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2wmy h SER 95 CO 0.06 -0.14 -1.48 0.08 -1.14 0.00 0.00 176.83 174.21 2wmy h ARG 96 N -0.08 0.19 -0.22 3.45 0.11 -1.37 -2.72 114.38 113.74 2wmy h ARG 96 Ca 0.12 -0.32 -0.14 0.00 0.10 0.00 0.00 59.98 59.74 2wmy h ARG 96 Cb 0.26 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2wmy h ARG 96 CO -0.27 1.03 -0.40 0.82 0.10 0.00 0.00 179.97 181.25 2wmy h ILE 97 N 0.05 1.32 -2.06 0.08 2.04 -1.08 -3.40 117.51 114.46 2wmy h ILE 97 Ca -0.22 -1.61 -0.57 0.00 1.00 0.00 0.00 64.86 63.46 2wmy h ILE 97 Cb 1.98 1.79 -0.39 0.00 -0.74 0.00 0.00 36.82 39.46 2wmy h ILE 97 CO 0.15 0.51 -1.08 0.00 0.00 0.00 0.00 178.15 177.73 2wmy n ALA 98 N -2.52 2.53 -0.05 1.87 0.00 0.32 -4.36 120.51 118.30 2wmy n ALA 98 Ca -0.05 -3.40 0.20 0.00 0.00 0.00 0.00 53.44 50.19 2wmy n ALA 98 Cb 0.54 -0.80 0.67 0.00 0.00 0.00 0.00 19.45 19.85 2wmy n ALA 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wmy h PRO 99 N 4.23 0.06 0.00 0.00 0.11 -1.51 0.12 132.00 135.01 2wmy h PRO 99 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2wmy h PRO 99 Cb 0.88 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2wmy h PRO 99 CO 0.46 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.68 2wmy n GLU 100 N -4.38 0.11 0.00 1.05 4.71 -1.26 -2.92 120.64 117.94 2wmy n GLU 100 Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.39 2wmy n GLU 100 Cb 0.63 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.71 2wmy n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wmy n ALA 101 N -1.45 2.76 0.09 0.62 0.00 0.40 -4.47 120.51 118.46 2wmy n ALA 101 Ca 0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 2wmy n ALA 101 Cb 0.31 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 19.10 2wmy n ALA 101 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wmy h ARG 102 N 3.71 0.26 0.00 0.00 9.65 -1.54 -2.57 114.38 123.89 2wmy h ARG 102 Ca 0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2wmy h ARG 102 Cb 0.86 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 2wmy h ARG 102 CO 0.00 0.66 0.00 0.41 2.80 0.00 0.00 179.97 183.84 2wmy n GLY 103 N -0.11 -1.08 0.16 2.80 0.00 -1.26 -2.72 105.19 102.97 2wmy n GLY 103 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.98 2wmy n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wmy n LYS 104 N -1.31 1.13 -4.34 1.61 2.85 -0.98 -5.02 118.16 112.10 2wmy n LYS 104 Ca 0.11 -2.42 -0.34 0.00 -1.05 0.00 0.00 58.31 54.60 2wmy n LYS 104 Cb 0.19 -1.38 -0.12 0.00 -0.65 0.00 0.00 35.03 33.08 2wmy n LYS 104 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2wmy s THR 105 N -2.54 3.91 0.25 0.58 2.01 -1.10 -1.36 115.64 117.39 2wmy s THR 105 Ca 0.28 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2wmy s THR 105 Cb 0.25 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 2wmy s THR 105 CO 0.02 0.48 0.13 -0.04 -0.69 0.00 0.00 174.62 174.52 2wmy s MET 106 N 0.47 1.37 0.22 4.92 -1.94 0.31 -4.97 119.30 119.67 2wmy s MET 106 Ca -0.03 -1.74 -0.30 0.00 -1.71 0.00 0.00 55.69 51.91 2wmy s MET 106 Cb -0.14 0.00 -0.08 0.00 2.01 0.00 0.00 34.83 36.62 2wmy s MET 106 CO 0.03 -0.37 1.07 -0.51 -0.01 0.00 0.00 175.02 175.22 2wmy s LEU 107 N -3.26 4.53 0.23 -0.03 1.43 -1.26 -0.86 118.68 119.46 2wmy s LEU 107 Ca 0.38 2.12 -0.06 0.00 -1.03 0.00 0.00 54.13 55.54 2wmy s LEU 107 Cb 0.07 -3.61 0.37 0.00 0.03 0.00 0.00 46.19 43.05 2wmy s LEU 107 CO 0.14 -0.13 1.78 0.15 0.23 0.00 0.00 176.35 178.52 2wmy h PHE 108 N 4.56 0.70 -0.69 0.29 3.57 -0.99 -2.16 116.94 122.22 2wmy h PHE 108 Ca -0.45 0.03 -0.37 0.00 3.53 0.00 0.00 57.97 60.71 2wmy h PHE 108 Cb 1.21 -0.20 -0.21 0.00 2.79 0.00 0.00 35.95 39.54 2wmy h PHE 108 CO 0.61 0.25 0.47 0.41 -2.23 0.00 0.00 178.31 177.83 2wmy n GLY 109 N -1.31 3.84 0.37 2.40 0.00 -1.21 -4.58 105.19 104.70 2wmy n GLY 109 Ca 0.12 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.36 2wmy n GLY 109 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wmy h HIS 110 N 0.79 1.14 -0.14 1.61 6.17 -1.60 -1.33 115.15 121.80 2wmy h HIS 110 Ca 0.44 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.55 2wmy h HIS 110 Cb 2.15 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 31.72 2wmy h HIS 110 CO 1.10 0.50 0.00 0.91 0.71 0.00 0.00 177.93 181.15 2wmy n TRP 111 N -4.57 0.18 -2.48 5.26 7.02 -1.26 -4.85 117.44 116.73 2wmy n TRP 111 Ca 0.18 -0.09 -0.23 0.00 -1.02 0.00 0.00 57.50 56.33 2wmy n TRP 111 Cb 0.30 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.27 2wmy n TRP 111 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2wmy s LEU 112 N -1.56 3.04 0.03 -0.99 1.43 -0.50 -5.03 118.68 115.09 2wmy s LEU 112 Ca 0.31 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 2wmy s LEU 112 Cb 0.16 -2.60 -0.33 0.00 0.03 0.00 0.00 46.19 43.45 2wmy s LEU 112 CO 0.25 -1.57 1.02 0.44 0.23 0.00 0.00 176.35 176.73 2wmy h ASP 113 N -0.37 0.81 -3.28 2.29 3.32 -1.89 -3.38 116.42 113.93 2wmy h ASP 113 Ca -0.41 -0.89 -0.73 0.00 0.02 0.00 0.00 57.03 55.02 2wmy h ASP 113 Cb 1.29 -0.26 -0.29 0.00 0.22 0.00 0.00 39.33 40.29 2wmy h ASP 113 CO 0.49 1.63 -0.37 -0.55 -1.72 0.00 0.00 179.24 178.73 2wmy s SER 114 N -7.44 5.76 0.36 6.45 0.15 -1.26 -4.98 113.70 112.74 2wmy s SER 114 Ca -0.10 -1.91 0.06 0.00 0.70 0.00 0.00 55.95 54.70 2wmy s SER 114 Cb 0.04 -2.03 0.69 0.00 -1.71 0.00 0.00 66.02 63.00 2wmy s SER 114 CO 0.93 -0.71 1.92 0.11 1.20 0.00 0.00 173.24 176.68 2wmy h LYS 115 N 8.49 0.47 -6.63 5.44 1.57 -1.76 -3.44 116.57 120.72 2wmy h LYS 115 Ca -0.22 -0.09 -0.53 0.00 -1.87 0.00 0.00 60.65 57.95 2wmy h LYS 115 Cb 1.08 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 33.34 2wmy h LYS 115 CO 0.88 0.48 0.64 -2.00 -0.57 0.00 0.00 179.45 178.88 2wmy s GLU 116 N -5.02 4.40 -0.45 3.15 2.12 -1.26 -3.36 118.70 118.27 2wmy s GLU 116 Ca -0.07 2.00 -0.16 0.00 0.36 0.00 0.00 54.97 57.09 2wmy s GLU 116 Cb 0.16 -3.23 0.05 0.00 0.26 0.00 0.00 34.13 31.37 2wmy s GLU 116 CO 0.75 -0.26 0.41 0.42 -0.54 0.00 0.00 175.26 176.05 2wmy s ILE 117 N 0.36 5.16 0.56 -3.70 -1.09 -0.05 -5.00 121.20 117.44 2wmy s ILE 117 Ca 0.58 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 58.03 2wmy s ILE 117 Cb -0.35 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2wmy s ILE 117 CO 0.36 -0.52 1.36 -2.84 -1.23 0.00 0.00 174.94 172.07 2wmy s PRO 118 N 1.89 3.05 -0.20 2.79 0.02 -1.26 -4.59 135.00 136.70 2wmy s PRO 118 Ca 0.07 2.25 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 2wmy s PRO 118 Cb -0.21 -2.21 -0.01 0.00 0.02 0.00 0.00 34.50 32.09 2wmy s PRO 118 CO 0.09 -1.26 1.30 0.34 -0.33 0.00 0.00 177.00 177.14 2wmy s ASP 119 N -0.97 6.84 0.00 2.53 -1.08 -1.26 -4.91 116.67 117.83 2wmy s ASP 119 Ca 0.73 1.57 0.23 0.00 -0.52 0.00 0.00 52.55 54.56 2wmy s ASP 119 Cb -0.41 -2.54 0.12 0.00 -1.46 0.00 0.00 42.92 38.63 2wmy s ASP 119 CO 0.48 -0.87 1.16 -0.81 0.52 0.00 0.00 175.17 175.65 2wmy n PRO 120 N 6.85 0.94 -1.68 4.34 -0.04 -1.26 -4.95 135.00 139.20 2wmy n PRO 120 Ca 0.14 -0.74 -0.56 0.00 -0.04 0.00 0.00 63.50 62.31 2wmy n PRO 120 Cb 0.45 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2wmy n PRO 120 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2wmy n TYR 121 N -0.39 1.96 -0.98 0.54 9.36 -1.26 -0.60 117.16 125.78 2wmy n TYR 121 Ca 0.09 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2wmy n TYR 121 Cb 0.42 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 2wmy n TYR 121 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wmy n ARG 122 N 4.81 -0.12 -2.00 2.98 1.74 -1.26 -5.03 116.66 117.78 2wmy n ARG 122 Ca 0.24 0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2wmy n ARG 122 Cb 0.15 -3.00 0.04 0.00 -1.02 0.00 0.00 32.46 28.64 2wmy n ARG 122 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2wmy n MET 123 N -2.36 0.66 -1.55 5.56 2.81 0.23 -5.10 117.12 117.37 2wmy n MET 123 Ca 0.00 -1.68 -0.29 0.00 -1.81 0.00 0.00 57.70 53.92 2wmy n MET 123 Cb 0.03 -0.18 0.12 0.00 -0.71 0.00 0.00 33.22 32.48 2wmy n MET 123 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2wmy s SER 124 N -3.04 3.86 0.20 7.83 1.04 -1.26 -4.84 113.70 117.49 2wmy s SER 124 Ca 0.34 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.74 2wmy s SER 124 Cb -0.03 -1.70 0.20 0.00 0.10 0.00 0.00 66.02 64.60 2wmy s SER 124 CO 0.22 -2.34 1.80 0.44 0.98 0.00 0.00 173.24 174.34 2wmy h ASP 125 N -1.35 0.50 -0.68 7.02 5.19 -1.98 -1.40 116.42 123.72 2wmy h ASP 125 Ca -0.49 0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.07 2wmy h ASP 125 Cb 1.31 -0.07 -0.09 0.00 0.18 0.00 0.00 39.33 40.66 2wmy h ASP 125 CO 0.61 0.33 0.22 -0.33 -3.12 0.00 0.00 179.24 176.96 2wmy h GLU 126 N 0.64 0.35 -0.59 3.56 3.07 -1.99 0.50 114.58 120.12 2wmy h GLU 126 Ca 0.27 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2wmy h GLU 126 Cb 0.15 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2wmy h GLU 126 CO -0.17 0.23 0.35 0.00 -1.40 0.00 0.00 179.01 178.03 2wmy h ALA 127 N 1.51 0.75 -0.61 3.43 0.00 -1.76 -2.30 119.26 120.27 2wmy h ALA 127 Ca 0.36 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2wmy h ALA 127 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wmy h ALA 127 CO -0.40 0.23 0.05 0.74 0.00 0.00 0.00 179.25 179.87 2wmy h PHE 128 N 0.79 1.10 -0.78 0.00 0.04 -0.09 -2.44 116.94 115.55 2wmy h PHE 128 Ca 0.21 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.88 2wmy h PHE 128 Cb -0.02 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 37.78 2wmy h PHE 128 CO -0.02 0.95 0.47 -0.44 -0.60 0.00 0.00 178.31 178.66 2wmy h ASP 129 N 0.95 0.71 -0.19 2.17 3.32 0.22 -0.85 116.42 122.74 2wmy h ASP 129 Ca 0.18 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2wmy h ASP 129 Cb 0.48 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2wmy h ASP 129 CO 0.02 0.45 -0.02 -1.28 -1.72 0.00 0.00 179.24 176.69 2wmy h SER 130 N 0.84 0.35 -0.71 6.45 0.87 -1.21 -2.33 113.55 117.81 2wmy h SER 130 Ca 0.35 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2wmy h SER 130 Cb 0.20 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2wmy h SER 130 CO -0.19 0.60 0.23 0.58 -0.53 0.00 0.00 176.83 177.52 2wmy h VAL 131 N 0.09 1.26 -0.65 2.23 2.07 -1.28 -1.92 116.25 118.05 2wmy h VAL 131 Ca 0.05 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2wmy h VAL 131 Cb 0.43 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2wmy h VAL 131 CO 0.01 0.34 0.41 0.22 0.02 0.00 0.00 177.57 178.57 2wmy h TYR 132 N 1.04 0.76 -0.40 1.57 3.20 -1.08 0.48 116.97 122.55 2wmy h TYR 132 Ca 0.23 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2wmy h TYR 132 Cb 0.29 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2wmy h TYR 132 CO 0.02 0.45 0.25 0.37 -1.64 0.00 0.00 178.16 177.61 2wmy h GLN 133 N 0.81 0.50 -0.11 1.82 5.75 -1.05 0.37 115.11 123.20 2wmy h GLN 133 Ca 0.26 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 2wmy h GLN 133 Cb -0.00 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 2wmy h GLN 133 CO -0.09 0.33 0.02 -0.07 -2.65 0.00 0.00 178.83 176.37 2wmy h LEU 134 N 0.52 0.00 -0.92 -2.39 3.38 -0.87 0.18 115.31 115.21 2wmy h LEU 134 Ca 0.15 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2wmy h LEU 134 Cb -0.04 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2wmy h LEU 134 CO -0.04 0.02 0.59 -0.07 0.09 0.00 0.00 178.44 179.02 2wmy h LEU 135 N 0.06 0.95 -0.18 1.67 3.38 -0.62 0.08 115.31 120.66 2wmy h LEU 135 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2wmy h LEU 135 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2wmy h LEU 135 CO -0.07 0.63 -0.03 -0.08 0.09 0.00 0.00 178.44 178.98 2wmy h GLU 136 N 1.10 0.35 -0.42 1.13 4.81 -0.44 -0.41 114.58 120.70 2wmy h GLU 136 Ca 0.38 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2wmy h GLU 136 Cb 0.09 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2wmy h GLU 136 CO -0.15 0.59 0.18 1.96 -0.73 0.00 0.00 179.01 180.87 2wmy h GLN 137 N 0.07 0.37 -0.51 1.92 4.20 -0.70 -1.31 115.11 119.15 2wmy h GLN 137 Ca 0.05 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 2wmy h GLN 137 Cb 0.45 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2wmy h GLN 137 CO 0.02 0.24 -0.00 0.00 -0.67 0.00 0.00 178.83 178.42 2wmy h ALA 138 N 1.25 0.69 -0.48 3.87 0.00 -0.88 -2.19 119.26 121.51 2wmy h ALA 138 Ca 0.19 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wmy h ALA 138 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2wmy h ALA 138 CO -0.16 0.51 0.29 0.77 0.00 0.00 0.00 179.25 180.66 2wmy h SER 139 N 0.78 0.48 -0.19 0.00 0.02 -0.90 -0.69 113.55 113.04 2wmy h SER 139 Ca 0.15 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 2wmy h SER 139 Cb 0.52 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2wmy h SER 139 CO 0.03 0.34 -0.00 0.11 -1.14 0.00 0.00 176.83 176.16 2wmy h LYS 140 N 0.58 0.06 -0.50 3.45 1.57 -0.94 0.20 116.57 120.99 2wmy h LYS 140 Ca 0.19 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2wmy h LYS 140 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 2wmy h LYS 140 CO -0.08 0.04 0.21 0.00 -0.57 0.00 0.00 179.45 179.05 2wmy h ARG 141 N 0.06 0.40 -0.72 3.15 2.47 -1.13 -2.04 114.38 116.56 2wmy h ARG 141 Ca 0.09 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 2wmy h ARG 141 Cb 0.11 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2wmy h ARG 141 CO -0.15 0.27 0.41 -1.49 0.56 0.00 0.00 179.97 179.57 2wmy h TRP 142 N 0.42 0.98 -0.77 3.04 4.06 -0.45 -2.11 115.95 121.11 2wmy h TRP 142 Ca 0.23 -0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.21 2wmy h TRP 142 Cb 0.20 -0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 28.00 2wmy h TRP 142 CO -0.13 0.68 0.48 0.00 -3.56 0.00 0.00 178.44 175.90 2wmy h ALA 143 N 1.21 1.02 0.00 1.49 0.00 -0.22 -1.44 119.26 121.32 2wmy h ALA 143 Ca 0.26 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2wmy h ALA 143 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2wmy h ALA 143 CO -0.04 0.26 -0.51 1.05 0.00 0.00 0.00 179.25 180.00 2wmy h GLU 144 N 0.92 0.00 0.00 0.00 4.11 -1.03 0.13 114.58 118.71 2wmy h GLU 144 Ca 0.32 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.62 2wmy h GLU 144 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2wmy h GLU 144 CO -0.13 0.51 -0.60 0.87 0.07 0.00 0.00 179.01 179.73 2wmy h LYS 145 N 0.00 0.00 0.00 1.06 1.79 -0.80 -3.31 116.57 115.31 2wmy h LYS 145 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2wmy h LYS 145 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2wmy h LYS 145 CO 0.07 0.60 -0.76 1.28 -1.08 0.00 0.00 179.45 179.55 2wmy n LEU 146 N -3.32 0.66 -0.42 2.94 4.77 -0.60 -5.10 117.00 115.93 2wmy n LEU 146 Ca 0.01 -0.47 0.14 0.00 -0.03 0.00 0.00 56.01 55.66 2wmy n LEU 146 Cb 0.74 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.41 2wmy n LEU 146 CO 0.41 0.17 0.90 0.61 -1.33 0.00 0.00 177.39 178.15