#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmy h MET 5 N 0.00 0.00 -3.95 1.47 4.05 -2.03 -3.43 114.93 111.04 2wmy h MET 5 Ca 0.00 0.00 -0.77 0.00 -0.28 0.00 0.00 59.70 58.65 2wmy h MET 5 Cb 0.00 0.00 -0.26 0.00 -0.80 0.00 0.00 31.60 30.54 2wmy h MET 5 CO 0.00 0.64 -0.07 -0.06 0.23 0.00 0.00 176.91 177.64 2wmy s PHE 6 N -2.04 3.53 -0.17 1.39 0.08 -1.26 -4.84 117.98 114.67 2wmy s PHE 6 Ca -0.14 -1.75 0.18 0.00 0.12 0.00 0.00 56.93 55.34 2wmy s PHE 6 Cb -0.01 -3.77 -0.26 0.00 -0.57 0.00 0.00 43.02 38.42 2wmy s PHE 6 CO 0.44 -1.00 0.16 -3.47 -0.10 0.00 0.00 175.22 171.26 2wmy n ASP 7 N 4.49 0.04 -4.53 1.36 -0.08 -1.26 -4.89 116.55 111.68 2wmy n ASP 7 Ca 0.02 0.02 -0.33 0.00 -1.51 0.00 0.00 54.79 52.98 2wmy n ASP 7 Cb 0.44 1.10 -0.12 0.00 2.34 0.00 0.00 41.12 44.88 2wmy n ASP 7 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2wmy s SER 8 N -5.37 4.41 -0.07 1.67 0.01 -1.26 -2.17 113.70 110.91 2wmy s SER 8 Ca -0.09 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2wmy s SER 8 Cb 0.07 -1.12 0.02 0.00 0.21 0.00 0.00 66.02 65.20 2wmy s SER 8 CO 0.84 0.33 -0.06 -0.63 0.41 0.00 0.00 173.24 174.13 2wmy s ILE 9 N -0.65 0.75 -0.32 1.44 1.01 0.46 -1.95 121.20 121.95 2wmy s ILE 9 Ca 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 2wmy s ILE 9 Cb -0.11 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.60 2wmy s ILE 9 CO 0.01 0.29 0.11 -0.22 0.00 0.00 0.00 174.94 175.14 2wmy s LEU 10 N 1.22 4.11 -0.06 2.97 2.96 0.19 -1.77 118.68 128.32 2wmy s LEU 10 Ca -0.05 -0.85 -0.21 0.00 -0.22 0.00 0.00 54.13 52.79 2wmy s LEU 10 Cb -0.14 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2wmy s LEU 10 CO -0.02 -0.25 0.61 -0.69 -1.32 0.00 0.00 176.35 174.68 2wmy s VAL 11 N 1.49 5.03 -0.07 1.68 1.01 -0.10 -1.37 120.40 128.07 2wmy s VAL 11 Ca 0.01 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.27 2wmy s VAL 11 Cb -0.18 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.27 2wmy s VAL 11 CO 0.03 0.33 -0.08 -0.63 0.00 0.00 0.00 175.10 174.75 2wmy s ILE 12 N 0.42 0.87 0.00 2.22 1.01 0.12 -1.25 121.20 124.59 2wmy s ILE 12 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2wmy s ILE 12 Cb -0.17 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2wmy s ILE 12 CO 0.16 0.31 0.00 0.00 0.00 0.00 0.00 174.94 175.41 2wmy n THR 14 N 0.00 0.48 0.33 0.00 -1.04 -1.26 -1.66 114.28 111.13 2wmy n THR 14 Ca 0.00 0.38 0.14 0.00 -2.04 0.00 0.00 64.05 62.53 2wmy n THR 14 Cb 0.00 -1.77 0.44 0.00 -1.82 0.00 0.00 70.33 67.18 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 -0.32 0.00 -3.96 3.41 0.00 -1.92 0.16 103.07 100.44 2wmy h GLY 15 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2wmy h GLY 15 CO 0.00 0.00 -0.47 -2.01 0.00 0.00 0.00 176.54 174.06 2wmy n ASN 16 N -2.86 -4.89 0.00 0.19 4.05 -1.26 -1.77 115.26 108.73 2wmy n ASN 16 Ca 0.03 -0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.01 2wmy n ASN 16 Cb 0.39 -4.06 0.00 0.00 1.23 0.00 0.00 39.78 37.34 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 -3.87 0.00 0.00 -1.44 -5.35 -1.26 -4.46 119.36 102.98 2wmy n ILE 17 Ca -0.15 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2wmy n ILE 17 Cb 0.63 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 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 -0.22 -0.11 0.00 3.08 -1.95 -3.25 114.38 111.93 2wmy h ARG 19 Ca 0.00 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2wmy h ARG 19 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2wmy h ARG 19 CO 0.00 0.18 -0.30 0.66 -1.07 0.00 0.00 179.97 179.44 2wmy h SER 20 N -0.73 0.20 -0.56 7.04 4.64 -1.90 0.11 113.55 122.35 2wmy h SER 20 Ca -0.02 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 2wmy h SER 20 Cb 0.51 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 2wmy h SER 20 CO 0.04 0.50 0.29 -0.65 -0.87 0.00 0.00 176.83 176.14 2wmy h PRO 21 N 0.18 0.79 0.07 4.77 0.11 -1.84 0.22 132.00 136.29 2wmy h PRO 21 Ca 0.03 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2wmy h PRO 21 Cb 0.63 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2wmy h PRO 21 CO 0.05 0.62 -0.03 0.82 -0.21 0.00 0.00 178.00 179.25 2wmy h ILE 22 N 0.75 1.06 -0.31 4.15 2.04 -1.51 -1.69 117.51 122.00 2wmy h ILE 22 Ca 0.19 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.68 2wmy h ILE 22 Cb 0.07 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2wmy h ILE 22 CO -0.03 0.11 -0.12 1.23 0.00 0.00 0.00 178.15 179.34 2wmy h GLY 23 N -0.28 0.16 -0.03 5.37 0.00 -0.87 0.73 103.07 108.15 2wmy h GLY 23 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.55 2wmy h GLY 23 CO 0.01 -0.15 -0.27 -2.09 0.00 0.00 0.00 176.54 174.05 2wmy h GLU 24 N -0.06 -0.21 -0.34 4.80 4.81 -0.47 -1.31 114.58 121.80 2wmy h GLU 24 Ca 0.16 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 2wmy h GLU 24 Cb 0.30 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2wmy h GLU 24 CO -0.36 -0.14 -0.42 0.00 -0.73 0.00 0.00 179.01 177.36 2wmy h ARG 25 N -0.22 0.85 -0.47 1.92 2.47 -0.61 -1.38 114.38 116.94 2wmy h ARG 25 Ca 0.17 -0.46 0.05 0.00 -1.26 0.00 0.00 59.98 58.47 2wmy h ARG 25 Cb 0.49 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.79 2wmy h ARG 25 CO -0.48 1.10 0.22 -0.07 0.56 0.00 0.00 179.97 181.30 2wmy h LEU 26 N 0.68 0.29 -0.36 3.04 3.38 -0.62 -2.83 115.31 118.90 2wmy h LEU 26 Ca 0.05 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2wmy h LEU 26 Cb 1.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2wmy h LEU 26 CO 0.10 0.21 -0.07 -0.07 0.09 0.00 0.00 178.44 178.70 2wmy h LEU 27 N 0.43 0.69 -0.82 1.67 3.38 -1.03 -3.03 115.31 116.59 2wmy h LEU 27 Ca 0.21 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 58.00 2wmy h LEU 27 Cb 0.15 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.60 2wmy h LEU 27 CO -0.17 0.88 0.35 0.03 0.09 0.00 0.00 178.44 179.62 2wmy h ARG 28 N 0.48 0.44 0.00 1.13 3.08 -1.04 0.86 114.38 119.33 2wmy h ARG 28 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wmy h ARG 28 Cb 0.56 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2wmy h ARG 28 CO 0.03 0.29 -0.02 0.07 -1.07 0.00 0.00 179.97 179.28 2wmy h ARG 29 N 0.46 0.00 0.08 0.04 0.11 -1.47 -2.37 114.38 111.23 2wmy h ARG 29 Ca 0.47 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.24 2wmy h ARG 29 Cb 0.78 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.84 2wmy h ARG 29 CO -0.45 0.00 -1.71 -0.07 0.10 0.00 0.00 179.97 177.84 2wmy h LEU 30 N 0.00 0.27 -6.01 0.08 3.38 -0.75 -3.41 115.31 108.87 2wmy h LEU 30 Ca 0.00 -0.49 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 2wmy h LEU 30 Cb 0.80 -0.09 -0.41 0.00 0.09 0.00 0.00 40.66 41.06 2wmy h LEU 30 CO 0.00 1.43 -0.81 0.18 0.09 0.00 0.00 178.44 179.32 2wmy n LEU 31 N -3.33 2.46 0.13 1.67 4.77 0.27 -4.98 117.00 117.98 2wmy n LEU 31 Ca -0.21 -5.20 0.18 0.00 -0.03 0.00 0.00 56.01 50.75 2wmy n LEU 31 Cb 1.05 -0.12 0.75 0.00 -2.33 0.00 0.00 43.42 42.77 2wmy n LEU 31 CO 0.46 2.12 1.16 1.55 -1.33 0.00 0.00 177.39 181.35 2wmy h PRO 32 N 3.88 0.00 -0.00 3.23 0.13 -1.66 -2.34 132.00 135.24 2wmy h PRO 32 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 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 0.69 0.00 -0.28 -1.13 -0.23 0.00 0.00 178.00 177.04 2wmy n SER 33 N -4.07 0.74 -4.90 1.44 3.41 -1.26 -4.90 113.62 104.08 2wmy n SER 33 Ca 0.05 -0.60 -0.29 0.00 -0.26 0.00 0.00 58.87 57.77 2wmy n SER 33 Cb 0.43 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.65 3.66 -0.51 4.33 1.02 -0.88 -5.04 119.74 119.67 2wmy s LYS 34 Ca 0.21 0.17 -0.23 0.00 0.02 0.00 0.00 55.97 56.14 2wmy s LYS 34 Cb 0.19 -2.52 0.04 0.00 -0.52 0.00 0.00 37.83 35.02 2wmy s LYS 34 CO 0.56 0.06 0.85 0.21 -0.92 0.00 0.00 175.35 176.11 2wmy s LYS 35 N -3.87 3.32 -0.14 1.68 2.20 -0.92 -5.01 119.74 117.00 2wmy s LYS 35 Ca 0.47 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2wmy s LYS 35 Cb -0.10 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.21 2wmy s LYS 35 CO 0.33 -1.34 -0.16 0.42 -0.36 0.00 0.00 175.35 174.24 2wmy s ILE 36 N 3.56 1.67 0.25 5.43 1.01 -1.26 -0.40 121.20 131.45 2wmy s ILE 36 Ca 0.28 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2wmy s ILE 36 Cb -0.13 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2wmy s ILE 36 CO 0.19 0.48 0.16 0.59 0.00 0.00 0.00 174.94 176.35 2wmy n ASN 37 N 4.47 0.13 -3.98 3.58 3.02 -0.73 -5.00 115.26 116.75 2wmy n ASN 37 Ca -0.18 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 51.78 2wmy n ASN 37 Cb 0.51 0.98 -0.07 0.00 -0.61 0.00 0.00 39.78 40.59 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 -2.64 0.00 0.11 6.41 1.04 -1.26 -0.92 113.70 116.45 2wmy s SER 38 Ca 0.22 -0.92 -0.26 0.00 0.48 0.00 0.00 55.95 55.47 2wmy s SER 38 Cb 0.01 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.68 2wmy s SER 38 CO 0.16 -0.96 0.96 0.00 0.98 0.00 0.00 173.24 174.38 2wmy s ALA 39 N -4.00 -1.71 0.05 5.32 0.00 -0.38 -4.72 121.76 116.31 2wmy s ALA 39 Ca 0.20 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2wmy s ALA 39 Cb 0.02 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 2wmy s ALA 39 CO 0.03 -0.97 -0.11 0.20 0.00 0.00 0.00 175.76 174.91 2wmy s GLY 40 N -2.85 0.68 0.37 0.00 0.00 0.18 -2.03 107.32 103.67 2wmy s GLY 40 Ca 0.11 -0.82 0.20 0.00 0.00 0.00 0.00 44.72 44.22 2wmy s GLY 40 CO -0.00 -0.83 1.51 -0.39 0.00 0.00 0.00 173.10 173.38 2wmy h VAL 41 N 4.47 0.27 -1.49 1.40 -1.51 -0.79 0.16 116.25 118.76 2wmy h VAL 41 Ca -0.37 -1.39 -0.52 0.00 -1.23 0.00 0.00 66.70 63.18 2wmy h VAL 41 Cb 1.19 2.10 -0.41 0.00 -2.13 0.00 0.00 31.29 32.03 2wmy h VAL 41 CO 0.42 0.15 -0.87 0.61 -1.23 0.00 0.00 177.57 176.66 2wmy n GLY 42 N 1.15 4.67 3.77 5.19 0.00 0.52 -4.86 105.19 115.64 2wmy n GLY 42 Ca 0.03 -2.33 -0.39 0.00 0.00 0.00 0.00 46.02 43.33 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 -3.37 3.16 -0.85 4.61 0.00 -0.90 -4.04 121.76 120.37 2wmy s ALA 43 Ca 0.42 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 53.23 2wmy s ALA 43 Cb 0.40 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 20.19 2wmy s ALA 43 CO -0.12 -0.66 1.15 -0.51 0.00 0.00 0.00 175.76 175.62 2wmy s LEU 44 N -2.54 4.45 0.11 0.00 1.43 -0.73 -4.91 118.68 116.50 2wmy s LEU 44 Ca 0.58 -1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 51.84 2wmy s LEU 44 Cb -0.33 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.36 2wmy s LEU 44 CO 0.42 -1.31 1.42 -0.69 0.23 0.00 0.00 176.35 176.42 2wmy s VAL 45 N 3.70 3.26 0.00 -1.59 1.01 -1.26 -2.29 120.40 123.23 2wmy s VAL 45 Ca 0.32 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2wmy s VAL 45 Cb -0.08 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2wmy s VAL 45 CO -0.02 0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.61 2wmy n ASP 46 N 4.12 0.00 -4.79 3.32 10.43 -0.59 -4.90 116.55 124.15 2wmy n ASP 46 Ca 0.12 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.12 2wmy n ASP 46 Cb 0.42 -0.37 -0.05 0.00 1.84 0.00 0.00 41.12 42.95 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 -3.45 3.41 0.94 1.24 3.76 -0.97 -4.62 115.29 115.60 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 -3.02 0.16 0.00 1.11 0.00 0.00 32.58 30.83 2wmy s HIS 47 CO 0.00 -0.28 1.13 -0.08 -0.85 0.00 0.00 174.74 174.66 2wmy s THR 48 N -1.73 1.99 0.70 1.30 -1.32 -1.26 -0.20 115.64 115.12 2wmy s THR 48 Ca 0.56 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.88 2wmy s THR 48 Cb -0.19 -2.69 0.02 0.00 -1.51 0.00 0.00 72.50 68.13 2wmy s THR 48 CO 0.24 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.89 2wmy s ALA 49 N -3.21 2.22 0.58 11.08 0.00 -1.26 -4.80 121.76 126.36 2wmy s ALA 49 Ca 0.65 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 53.42 2wmy s ALA 49 Cb -0.15 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2wmy s ALA 49 CO 0.54 -1.76 1.29 0.34 0.00 0.00 0.00 175.76 176.18 2wmy s ASP 50 N -1.76 5.14 0.18 0.00 2.15 -0.31 -4.80 116.67 117.27 2wmy s ASP 50 Ca 0.78 2.60 -0.13 0.00 0.43 0.00 0.00 52.55 56.23 2wmy s ASP 50 Cb -0.32 -2.62 0.09 0.00 -0.30 0.00 0.00 42.92 39.76 2wmy s ASP 50 CO 0.43 -1.64 1.83 -0.08 -0.17 0.00 0.00 175.17 175.53 2wmy h GLU 51 N 1.13 0.80 -0.03 4.34 4.81 -1.92 0.41 114.58 124.12 2wmy h GLU 51 Ca -0.51 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.56 2wmy h GLU 51 Cb 1.31 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2wmy h GLU 51 CO 0.56 0.56 -0.45 0.77 -0.73 0.00 0.00 179.01 179.71 2wmy h SER 52 N 0.80 0.07 -0.19 1.04 0.02 -1.97 -1.62 113.55 111.70 2wmy h SER 52 Ca 0.21 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2wmy h SER 52 Cb -0.04 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2wmy h SER 52 CO -0.04 0.52 0.02 0.00 -1.14 0.00 0.00 176.83 176.18 2wmy h ALA 53 N 1.49 0.26 -0.60 3.77 0.00 -1.66 -2.23 119.26 120.28 2wmy h ALA 53 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wmy h ALA 53 Cb 0.83 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2wmy h ALA 53 CO 0.06 -0.05 0.37 0.82 0.00 0.00 0.00 179.25 180.45 2wmy h ILE 54 N 0.10 1.17 0.23 0.00 2.04 -0.80 -2.15 117.51 118.10 2wmy h ILE 54 Ca 0.06 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2wmy h ILE 54 Cb 0.35 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2wmy h ILE 54 CO 0.01 0.17 -0.11 -0.09 0.00 0.00 0.00 178.15 178.12 2wmy h ARG 55 N 0.82 -0.30 0.00 2.37 2.43 -1.01 -0.99 114.38 117.70 2wmy h ARG 55 Ca 0.22 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 2wmy h ARG 55 Cb -0.05 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2wmy h ARG 55 CO -0.04 -0.08 -0.40 -0.24 -1.51 0.00 0.00 179.97 177.70 2wmy h VAL 56 N -0.48 1.16 0.47 0.20 3.04 -1.39 -0.82 116.25 118.43 2wmy h VAL 56 Ca -0.03 -1.43 -0.02 0.00 -1.01 0.00 0.00 66.70 64.21 2wmy h VAL 56 Cb 0.36 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 2wmy h VAL 56 CO 0.05 0.39 -0.23 0.00 -1.01 0.00 0.00 177.57 176.78 2wmy h ALA 57 N 1.60 -0.88 -0.47 3.17 0.00 -1.21 -2.98 119.26 118.50 2wmy h ALA 57 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wmy h ALA 57 Cb 0.77 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2wmy h ALA 57 CO 0.05 -0.83 0.27 0.93 0.00 0.00 0.00 179.25 179.68 2wmy h GLU 58 N -0.83 0.63 -1.13 0.00 5.08 -0.83 0.69 114.58 118.20 2wmy h GLU 58 Ca -0.06 -0.05 0.32 0.00 -1.00 0.00 0.00 59.36 58.56 2wmy h GLU 58 Cb 0.49 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2wmy h GLU 58 CO 0.11 0.45 0.77 -0.22 -1.00 0.00 0.00 179.01 179.11 2wmy h LYS 59 N 0.64 0.19 -0.33 2.33 3.64 -1.21 -1.48 116.57 120.37 2wmy h LYS 59 Ca 0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wmy h LYS 59 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2wmy h LYS 59 CO -0.03 0.13 0.00 0.09 -2.27 0.00 0.00 179.45 177.37 2wmy n ASN 60 N -4.44 4.09 -0.26 4.20 3.02 0.23 -4.95 115.26 117.15 2wmy n ASN 60 Ca 0.27 -2.89 -0.03 0.00 -0.03 0.00 0.00 54.58 51.89 2wmy n ASN 60 Cb 1.09 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.19 0.59 3.80 7.41 0.00 -0.56 -5.00 105.19 111.24 2wmy n GLY 61 Ca 0.22 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.78 4.33 -0.16 0.99 2.96 -0.59 -4.96 118.68 120.47 2wmy s LEU 62 Ca 0.00 0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 2wmy s LEU 62 Cb 0.00 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2wmy s LEU 62 CO 0.00 0.27 0.02 0.00 -1.32 0.00 0.00 176.35 175.32 2wmy n LEU 64 N 3.40 2.46 -4.54 0.00 4.77 -1.26 -4.94 117.00 116.89 2wmy n LEU 64 Ca -0.17 -1.22 -0.41 0.00 -0.03 0.00 0.00 56.01 54.18 2wmy n LEU 64 Cb 0.52 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 2wmy n LEU 64 CO 0.34 0.49 0.37 0.29 -1.33 0.00 0.00 177.39 177.55 2wmy n LYS 65 N 0.84 0.98 -0.05 3.23 5.02 -1.26 -2.69 118.16 124.22 2wmy n LYS 65 Ca 0.10 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2wmy n LYS 65 Cb 0.40 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2wmy n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wmy n GLY 66 N 1.45 0.91 3.77 0.72 0.00 -1.26 -5.05 105.19 105.74 2wmy n GLY 66 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.37 3.26 -0.05 1.61 5.04 -1.10 -5.04 115.29 116.64 2wmy s HIS 67 Ca 0.00 1.63 -0.01 0.00 -1.54 0.00 0.00 55.06 55.14 2wmy s HIS 67 Cb 0.00 -3.22 0.03 0.00 0.04 0.00 0.00 32.58 29.43 2wmy s HIS 67 CO 0.00 -0.80 0.02 0.50 -2.34 0.00 0.00 174.74 172.12 2wmy s ARG 68 N -2.28 0.27 0.13 2.88 3.52 -1.26 -4.51 118.95 117.70 2wmy s ARG 68 Ca 0.56 0.20 -0.35 0.00 -0.13 0.00 0.00 55.73 56.01 2wmy s ARG 68 Cb -0.26 -0.67 -0.15 0.00 -1.56 0.00 0.00 34.95 32.31 2wmy s ARG 68 CO 0.33 -0.27 1.43 0.41 -0.81 0.00 0.00 175.30 176.38 2wmy n GLY 69 N 4.95 0.73 2.88 8.12 0.00 0.73 -4.79 105.19 117.80 2wmy n GLY 69 Ca -0.10 0.66 -0.19 0.00 0.00 0.00 0.00 46.02 46.38 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 0.59 0.46 -0.00 2.61 2.01 -1.26 -1.54 115.64 118.51 2wmy s THR 70 Ca 0.81 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 2wmy s THR 70 Cb -0.82 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 2wmy s THR 70 CO 0.44 0.21 1.06 -0.75 -0.69 0.00 0.00 174.62 174.88 2wmy s LYS 71 N 0.95 4.49 0.20 4.92 2.47 -1.26 -0.64 119.74 130.87 2wmy s LYS 71 Ca -0.11 1.52 -0.30 0.00 -1.56 0.00 0.00 55.97 55.52 2wmy s LYS 71 Cb -0.14 -3.45 -0.09 0.00 -1.46 0.00 0.00 37.83 32.69 2wmy s LYS 71 CO -0.00 -0.17 1.40 0.12 0.16 0.00 0.00 175.35 176.85 2wmy s PHE 72 N 1.25 3.14 0.06 4.03 5.36 0.55 -4.75 117.98 127.62 2wmy s PHE 72 Ca 0.54 1.05 -0.00 0.00 -0.96 0.00 0.00 56.93 57.55 2wmy s PHE 72 Cb -0.23 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 38.68 2wmy s PHE 72 CO 0.26 -2.40 -0.04 0.95 -1.46 0.00 0.00 175.22 172.53 2wmy s THR 73 N 0.30 0.33 0.33 0.12 -4.23 -1.26 -4.89 115.64 106.34 2wmy s THR 73 Ca 0.60 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2wmy s THR 73 Cb -0.39 -1.38 0.17 0.00 1.34 0.00 0.00 72.50 72.24 2wmy s THR 73 CO 0.38 -0.89 1.89 0.77 -0.54 0.00 0.00 174.62 176.23 2wmy h SER 74 N 3.33 0.59 -0.99 3.99 4.64 -1.96 -1.01 113.55 122.14 2wmy h SER 74 Ca -0.34 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2wmy h SER 74 Cb 1.16 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 2wmy h SER 74 CO 0.62 0.60 0.64 0.00 -0.87 0.00 0.00 176.83 177.82 2wmy h ALA 75 N 1.48 1.26 -0.23 5.18 0.00 -1.96 -2.29 119.26 122.70 2wmy h ALA 75 Ca 0.14 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2wmy h ALA 75 Cb 0.25 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2wmy h ALA 75 CO -0.00 0.67 -0.62 1.25 0.00 0.00 0.00 179.25 180.54 2wmy h LEU 76 N 1.35 0.91 -1.60 0.00 5.85 -1.83 -3.08 115.31 116.91 2wmy h LEU 76 Ca 0.36 -0.52 0.14 0.00 0.84 0.00 0.00 57.88 58.70 2wmy h LEU 76 Cb -0.12 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.59 2wmy h LEU 76 CO -0.07 1.31 0.49 0.00 -0.34 0.00 0.00 178.44 179.83 2wmy h ALA 77 N 0.69 2.12 0.00 1.25 0.00 -0.67 -1.64 119.26 121.02 2wmy h ALA 77 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wmy h ALA 77 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wmy h ALA 77 CO 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.07 2wmy h ARG 78 N 0.40 0.00 -0.20 0.00 3.08 -1.34 -2.16 114.38 114.16 2wmy h ARG 78 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2wmy h ARG 78 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2wmy h ARG 78 CO -0.11 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.83 2wmy n GLN 79 N -2.50 1.79 -4.46 0.04 6.02 -0.61 -4.90 117.38 112.77 2wmy n GLN 79 Ca 0.00 -1.19 -0.21 0.00 -0.01 0.00 0.00 57.00 55.59 2wmy n GLN 79 Cb 0.16 -1.39 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 2wmy n GLN 79 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2wmy s TYR 80 N -1.75 1.19 -0.19 1.08 2.02 -0.81 -4.90 117.35 114.00 2wmy s TYR 80 Ca 0.32 -0.29 0.18 0.00 -0.37 0.00 0.00 57.07 56.91 2wmy s TYR 80 Cb 0.17 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 41.00 2wmy s TYR 80 CO 0.26 0.01 1.12 -0.44 -1.57 0.00 0.00 175.55 174.93 2wmy h ASP 81 N 5.34 0.00 -3.47 2.29 3.32 -1.75 -3.46 116.42 118.69 2wmy h ASP 81 Ca -0.36 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.44 2wmy h ASP 81 Cb 1.17 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.40 2wmy h ASP 81 CO 0.46 0.38 -0.62 -0.22 -1.72 0.00 0.00 179.24 177.52 2wmy s LEU 82 N -5.92 0.84 -0.16 1.55 2.96 -0.82 -4.87 118.68 112.25 2wmy s LEU 82 Ca 0.00 0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2wmy s LEU 82 Cb 0.08 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 47.03 2wmy s LEU 82 CO 0.77 -0.14 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.83 2wmy s LEU 83 N 1.09 2.93 -0.22 -0.68 1.02 -0.48 -0.63 118.68 121.71 2wmy s LEU 83 Ca -0.09 -0.28 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 2wmy s LEU 83 Cb -0.11 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.41 2wmy s LEU 83 CO -0.05 0.12 -0.10 -0.76 0.02 0.00 0.00 176.35 175.57 2wmy s LEU 84 N 0.66 2.75 0.16 1.79 1.43 -0.47 0.23 118.68 125.22 2wmy s LEU 84 Ca -0.04 -0.66 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2wmy s LEU 84 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2wmy s LEU 84 CO 0.02 -0.05 0.05 0.68 0.23 0.00 0.00 176.35 177.29 2wmy s VAL 85 N 1.36 4.07 0.05 -1.59 -7.23 0.09 0.12 120.40 117.27 2wmy s VAL 85 Ca 0.03 -1.23 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 2wmy s VAL 85 Cb -0.15 -3.05 -0.17 0.00 0.56 0.00 0.00 36.38 33.57 2wmy s VAL 85 CO -0.07 -0.08 1.24 0.24 -0.31 0.00 0.00 175.10 176.12 2wmy h MET 86 N 2.68 0.56 -6.69 4.82 0.00 -1.65 0.18 114.93 114.82 2wmy h MET 86 Ca -0.47 -0.45 -0.66 0.00 0.00 0.00 0.00 59.70 58.11 2wmy h MET 86 Cb 1.20 0.09 -0.19 0.00 0.00 0.00 0.00 31.60 32.69 2wmy h MET 86 CO 0.60 1.08 -0.83 -1.21 0.00 0.00 0.00 176.91 176.55 2wmy s GLU 87 N -3.71 1.51 0.25 1.72 2.02 -1.26 -1.14 118.70 118.09 2wmy s GLU 87 Ca -0.12 -1.47 -0.04 0.00 0.02 0.00 0.00 54.97 53.37 2wmy s GLU 87 Cb 0.06 -1.87 0.50 0.00 0.10 0.00 0.00 34.13 32.92 2wmy s GLU 87 CO 0.84 0.42 1.69 1.88 0.02 0.00 0.00 175.26 180.10 2wmy h TYR 88 N 3.38 0.35 0.00 1.61 0.05 -1.96 -0.34 116.97 120.07 2wmy h TYR 88 Ca -0.48 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.32 2wmy h TYR 88 Cb 1.20 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.90 2wmy h TYR 88 CO 0.66 -0.07 -0.12 0.66 -1.05 0.00 0.00 178.16 178.25 2wmy h SER 89 N 0.30 0.00 0.36 3.88 4.64 -2.01 -1.42 113.55 119.31 2wmy h SER 89 Ca 0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.71 2wmy h SER 89 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2wmy h SER 89 CO -0.51 0.12 -0.25 0.45 -0.87 0.00 0.00 176.83 175.77 2wmy h HIS 90 N 0.00 0.00 -0.05 4.77 3.86 -1.45 -2.89 115.15 119.39 2wmy h HIS 90 Ca -0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2wmy h HIS 90 Cb 0.36 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2wmy h HIS 90 CO 0.00 0.25 -0.04 -0.07 0.86 0.00 0.00 177.93 178.92 2wmy h LEU 91 N 0.00 -0.13 -0.79 2.43 3.38 -1.24 -1.37 115.31 117.59 2wmy h LEU 91 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2wmy h LEU 91 Cb 0.49 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2wmy h LEU 91 CO 0.03 -0.06 0.37 -0.33 0.09 0.00 0.00 178.44 178.54 2wmy h GLU 92 N -0.06 1.14 -0.79 1.13 4.39 -1.63 -1.37 114.58 117.40 2wmy h GLU 92 Ca 0.04 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 2wmy h GLU 92 Cb 0.10 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2wmy h GLU 92 CO -0.08 0.89 0.31 1.96 -1.16 0.00 0.00 179.01 180.93 2wmy h GLN 93 N 1.12 1.18 0.00 2.33 4.20 -1.29 -1.43 115.11 121.22 2wmy h GLN 93 Ca 0.27 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 2wmy h GLN 93 Cb 0.13 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2wmy h GLN 93 CO -0.03 0.95 -0.38 0.82 -0.67 0.00 0.00 178.83 179.52 2wmy h ILE 94 N 1.15 1.08 -0.13 2.54 2.04 -1.03 -0.21 117.51 122.95 2wmy h ILE 94 Ca 0.26 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.73 2wmy h ILE 94 Cb 0.22 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2wmy h ILE 94 CO -0.02 0.38 0.04 0.28 0.00 0.00 0.00 178.15 178.82 2wmy h SER 95 N 0.00 0.04 0.79 1.72 0.02 -0.17 0.76 113.55 116.71 2wmy h SER 95 Ca -0.00 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.72 2wmy h SER 95 Cb 0.77 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 2wmy h SER 95 CO 0.05 0.04 -1.30 0.08 -1.14 0.00 0.00 176.83 174.56 2wmy h ARG 96 N 0.10 0.00 0.00 3.45 0.11 -1.34 -2.41 114.38 114.29 2wmy h ARG 96 Ca 0.06 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.03 2wmy h ARG 96 Cb 0.04 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.13 2wmy h ARG 96 CO -0.06 0.70 -0.43 0.82 0.10 0.00 0.00 179.97 181.10 2wmy h ILE 97 N 0.00 1.49 -2.09 0.08 2.04 -1.05 -3.41 117.51 114.57 2wmy h ILE 97 Ca -0.14 -2.03 -0.57 0.00 1.00 0.00 0.00 64.86 63.12 2wmy h ILE 97 Cb 1.84 2.70 -0.39 0.00 -0.74 0.00 0.00 36.82 40.23 2wmy h ILE 97 CO 0.10 0.57 -1.03 0.00 0.00 0.00 0.00 178.15 177.79 2wmy n ALA 98 N -2.57 2.68 0.17 1.87 0.00 0.26 -4.44 120.51 118.48 2wmy n ALA 98 Ca -0.10 -3.53 0.19 0.00 0.00 0.00 0.00 53.44 50.00 2wmy n ALA 98 Cb 0.60 -0.82 0.79 0.00 0.00 0.00 0.00 19.45 20.02 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 4.26 0.00 -0.00 0.00 0.11 -1.43 0.60 132.00 135.54 2wmy h PRO 99 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2wmy h PRO 99 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2wmy h PRO 99 CO 0.49 0.00 -0.22 0.39 -0.21 0.00 0.00 178.00 178.45 2wmy n GLU 100 N -3.61 0.07 0.00 1.05 1.02 -1.26 -3.20 120.64 114.71 2wmy n GLU 100 Ca 0.04 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 2wmy n GLU 100 Cb 0.48 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.48 2wmy n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wmy n ALA 101 N -1.44 2.51 0.21 0.62 0.00 0.20 -4.48 120.51 118.12 2wmy n ALA 101 Ca 0.07 -0.67 0.05 0.00 0.00 0.00 0.00 53.44 52.89 2wmy n ALA 101 Cb 0.33 -0.72 0.45 0.00 0.00 0.00 0.00 19.45 19.51 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 4.11 0.00 0.00 0.00 9.65 -1.55 -1.99 114.38 124.60 2wmy h ARG 102 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2wmy h ARG 102 Cb 0.88 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2wmy h ARG 102 CO 0.00 0.28 0.00 0.41 2.80 0.00 0.00 179.97 183.46 2wmy n GLY 103 N -0.64 -1.36 0.05 2.80 0.00 -1.26 -3.01 105.19 101.76 2wmy n GLY 103 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.42 1.96 -3.99 1.61 2.85 -0.78 -5.02 118.16 113.37 2wmy n LYS 104 Ca 0.09 -2.16 -0.35 0.00 -1.05 0.00 0.00 58.31 54.84 2wmy n LYS 104 Cb 0.29 -1.31 -0.09 0.00 -0.65 0.00 0.00 35.03 33.27 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 -2.14 4.88 0.18 0.58 2.01 -1.01 -1.39 115.64 118.75 2wmy s THR 105 Ca 0.20 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 2wmy s THR 105 Cb 0.17 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2wmy s THR 105 CO 0.02 0.48 0.09 -0.04 -0.69 0.00 0.00 174.62 174.48 2wmy s MET 106 N 0.18 1.13 0.21 4.92 -1.94 0.13 -4.96 119.30 118.97 2wmy s MET 106 Ca 0.05 -1.58 -0.30 0.00 -1.71 0.00 0.00 55.69 52.16 2wmy s MET 106 Cb -0.12 0.12 -0.08 0.00 2.01 0.00 0.00 34.83 36.75 2wmy s MET 106 CO 0.00 -0.30 1.16 -0.51 -0.01 0.00 0.00 175.02 175.36 2wmy s LEU 107 N -3.15 4.48 0.24 -0.03 1.43 -1.26 -0.73 118.68 119.66 2wmy s LEU 107 Ca 0.32 2.24 -0.05 0.00 -1.03 0.00 0.00 54.13 55.61 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 0.08 -0.30 1.83 0.15 0.23 0.00 0.00 176.35 178.34 2wmy h PHE 108 N 4.82 0.94 -0.79 0.29 3.57 -0.90 -2.14 116.94 122.74 2wmy h PHE 108 Ca -0.45 0.03 -0.47 0.00 3.53 0.00 0.00 57.97 60.60 2wmy h PHE 108 Cb 1.21 -0.30 -0.24 0.00 2.79 0.00 0.00 35.95 39.42 2wmy h PHE 108 CO 0.61 0.44 0.61 0.41 -2.23 0.00 0.00 178.31 178.15 2wmy n GLY 109 N -1.33 4.58 0.37 2.40 0.00 -1.22 -4.62 105.19 105.37 2wmy n GLY 109 Ca 0.13 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 1.30 1.10 -0.19 1.61 6.17 -1.59 -2.14 115.15 121.41 2wmy h HIS 110 Ca 0.49 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.60 2wmy h HIS 110 Cb 1.65 -0.36 0.00 0.00 2.52 0.00 0.00 27.41 31.22 2wmy h HIS 110 CO 1.22 0.58 0.00 0.91 0.71 0.00 0.00 177.93 181.36 2wmy n TRP 111 N -4.48 0.24 -2.59 5.26 7.02 -1.26 -4.86 117.44 116.77 2wmy n TRP 111 Ca 0.14 -0.12 -0.22 0.00 -1.02 0.00 0.00 57.50 56.28 2wmy n TRP 111 Cb 0.18 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.12 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 -1.47 3.17 -0.09 -0.99 1.43 -0.80 -5.04 118.68 114.88 2wmy s LEU 112 Ca 0.30 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 2wmy s LEU 112 Cb 0.16 -2.71 -0.24 0.00 0.03 0.00 0.00 46.19 43.43 2wmy s LEU 112 CO 0.24 -1.33 0.96 0.44 0.23 0.00 0.00 176.35 176.90 2wmy h ASP 113 N -0.11 0.04 -3.12 2.29 3.32 -1.89 -3.38 116.42 113.58 2wmy h ASP 113 Ca -0.41 -0.81 -0.74 0.00 0.02 0.00 0.00 57.03 55.09 2wmy h ASP 113 Cb 1.29 -0.01 -0.22 0.00 0.22 0.00 0.00 39.33 40.61 2wmy h ASP 113 CO 0.51 0.85 0.07 -0.55 -1.72 0.00 0.00 179.24 178.39 2wmy s SER 114 N -6.08 6.35 0.28 6.45 0.15 -1.26 -4.95 113.70 114.64 2wmy s SER 114 Ca -0.18 -1.87 -0.01 0.00 0.70 0.00 0.00 55.95 54.59 2wmy s SER 114 Cb -0.01 -2.26 0.41 0.00 -1.71 0.00 0.00 66.02 62.45 2wmy s SER 114 CO 0.70 -0.91 1.85 0.11 1.20 0.00 0.00 173.24 176.18 2wmy h LYS 115 N 8.76 0.89 -6.68 5.44 1.57 -1.75 -3.44 116.57 121.36 2wmy h LYS 115 Ca -0.17 -0.15 -0.52 0.00 -1.87 0.00 0.00 60.65 57.93 2wmy h LYS 115 Cb 1.08 -0.15 0.03 0.00 0.08 0.00 0.00 32.23 33.27 2wmy h LYS 115 CO 1.01 0.74 0.62 -2.00 -0.57 0.00 0.00 179.45 179.25 2wmy s GLU 116 N -5.36 4.43 -0.45 3.15 2.12 -1.26 -3.39 118.70 117.93 2wmy s GLU 116 Ca -0.10 1.99 -0.16 0.00 0.36 0.00 0.00 54.97 57.06 2wmy s GLU 116 Cb 0.16 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.39 2wmy s GLU 116 CO 0.80 -0.19 0.43 0.42 -0.54 0.00 0.00 175.26 176.18 2wmy s ILE 117 N -0.00 5.14 0.53 -3.70 -1.09 -0.29 -5.00 121.20 116.78 2wmy s ILE 117 Ca 0.55 -0.72 -0.22 0.00 -2.23 0.00 0.00 60.65 58.03 2wmy s ILE 117 Cb -0.35 -4.10 -0.06 0.00 -1.58 0.00 0.00 42.46 36.37 2wmy s ILE 117 CO 0.38 -0.53 1.29 -2.65 -1.23 0.00 0.00 174.94 172.20 2wmy n PRO 118 N 5.46 1.64 -2.56 2.79 -0.02 -1.26 -4.57 135.00 136.48 2wmy n PRO 118 Ca -0.10 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2wmy n PRO 118 Cb 0.45 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 2wmy n PRO 118 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wmy s ASP 119 N -0.87 6.89 0.00 2.55 -1.08 -1.26 -4.92 116.67 117.98 2wmy s ASP 119 Ca 0.70 1.20 0.24 0.00 -0.52 0.00 0.00 52.55 54.17 2wmy s ASP 119 Cb -0.44 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 38.72 2wmy s ASP 119 CO 0.51 -0.89 1.24 -0.81 0.52 0.00 0.00 175.17 175.73 2wmy n PRO 120 N 6.89 0.82 -1.63 4.34 -0.04 -1.26 -4.94 135.00 139.18 2wmy n PRO 120 Ca 0.13 -0.62 -0.54 0.00 -0.04 0.00 0.00 63.50 62.43 2wmy n PRO 120 Cb 0.47 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.55 1.65 -0.88 0.54 9.36 -1.26 -0.51 117.16 125.50 2wmy n TYR 121 Ca 0.09 0.63 0.00 0.00 3.32 0.00 0.00 57.90 61.95 2wmy n TYR 121 Cb 0.40 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 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 3.40 -0.14 -2.02 2.98 1.74 -1.26 -5.01 116.66 116.35 2wmy n ARG 122 Ca 0.21 0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 2wmy n ARG 122 Cb 0.16 -3.22 0.09 0.00 -1.02 0.00 0.00 32.46 28.47 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 -1.95 0.06 -1.58 5.56 2.81 0.33 -5.09 117.12 117.26 2wmy n MET 123 Ca 0.00 -1.97 -0.29 0.00 -1.81 0.00 0.00 57.70 53.63 2wmy n MET 123 Cb 0.03 -0.50 0.11 0.00 -0.71 0.00 0.00 33.22 32.16 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 -3.98 3.98 0.23 7.83 1.04 -1.26 -4.85 113.70 116.68 2wmy s SER 124 Ca 0.49 1.08 -0.07 0.00 0.48 0.00 0.00 55.95 57.93 2wmy s SER 124 Cb -0.03 -1.71 0.28 0.00 0.10 0.00 0.00 66.02 64.66 2wmy s SER 124 CO 0.32 -2.27 1.86 0.44 0.98 0.00 0.00 173.24 174.58 2wmy h ASP 125 N -1.30 0.86 -0.83 7.02 3.32 -1.97 -1.46 116.42 122.06 2wmy h ASP 125 Ca -0.49 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.65 2wmy h ASP 125 Cb 1.31 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 2wmy h ASP 125 CO 0.61 0.58 0.54 -0.33 -1.72 0.00 0.00 179.24 178.92 2wmy h GLU 126 N 1.01 0.82 -0.37 3.56 3.07 -1.99 0.49 114.58 121.18 2wmy h GLU 126 Ca 0.35 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 2wmy h GLU 126 Cb 0.07 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2wmy h GLU 126 CO -0.14 0.54 -0.09 0.00 -1.40 0.00 0.00 179.01 177.92 2wmy h ALA 127 N 1.57 0.51 -0.54 3.43 0.00 -1.65 -2.38 119.26 120.20 2wmy h ALA 127 Ca 0.37 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2wmy h ALA 127 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wmy h ALA 127 CO -0.14 0.36 0.02 0.74 0.00 0.00 0.00 179.25 180.23 2wmy h PHE 128 N 0.51 0.96 -0.57 0.00 0.04 -0.54 -2.35 116.94 114.99 2wmy h PHE 128 Ca 0.09 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.80 2wmy h PHE 128 Cb 0.60 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 2wmy h PHE 128 CO 0.05 0.86 0.23 -0.44 -0.60 0.00 0.00 178.31 178.42 2wmy h ASP 129 N 0.83 0.27 -0.32 2.17 3.32 0.13 -0.20 116.42 122.62 2wmy h ASP 129 Ca 0.16 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 2wmy h ASP 129 Cb 0.47 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2wmy h ASP 129 CO 0.02 0.17 -0.14 -1.28 -1.72 0.00 0.00 179.24 176.30 2wmy h SER 130 N 0.43 0.68 -0.72 6.45 0.87 -1.26 -2.62 113.55 117.39 2wmy h SER 130 Ca 0.28 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 2wmy h SER 130 Cb 0.29 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2wmy h SER 130 CO -0.26 0.93 0.22 0.58 -0.53 0.00 0.00 176.83 177.77 2wmy h VAL 131 N 0.43 1.26 -0.72 2.23 2.07 -1.22 -2.26 116.25 118.05 2wmy h VAL 131 Ca 0.07 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2wmy h VAL 131 Cb 0.66 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2wmy h VAL 131 CO 0.04 0.35 0.47 0.22 0.02 0.00 0.00 177.57 178.68 2wmy h TYR 132 N 1.06 0.89 -0.62 1.57 3.20 -0.92 0.07 116.97 122.22 2wmy h TYR 132 Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2wmy h TYR 132 Cb 0.31 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2wmy h TYR 132 CO 0.02 0.56 0.32 0.37 -1.64 0.00 0.00 178.16 177.79 2wmy h GLN 133 N 0.96 0.88 -0.04 1.82 5.75 -1.21 0.02 115.11 123.28 2wmy h GLN 133 Ca 0.27 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2wmy h GLN 133 Cb -0.10 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.29 2wmy h GLN 133 CO -0.06 0.69 0.03 -0.07 -2.65 0.00 0.00 178.83 176.77 2wmy h LEU 134 N 0.85 0.05 -0.89 -2.39 3.38 -0.97 0.14 115.31 115.47 2wmy h LEU 134 Ca 0.22 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2wmy h LEU 134 Cb 0.09 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2wmy h LEU 134 CO -0.03 0.06 0.55 -0.07 0.09 0.00 0.00 178.44 179.05 2wmy h LEU 135 N 0.03 0.87 -0.15 1.67 3.38 -0.70 0.52 115.31 120.92 2wmy h LEU 135 Ca 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2wmy h LEU 135 Cb 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2wmy h LEU 135 CO -0.00 0.54 -0.07 -0.08 0.09 0.00 0.00 178.44 178.93 2wmy h GLU 136 N 1.00 0.32 -0.61 1.13 4.81 -0.63 -0.18 114.58 120.41 2wmy h GLU 136 Ca 0.39 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 2wmy h GLU 136 Cb 0.20 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2wmy h GLU 136 CO -0.18 0.63 0.34 1.96 -0.73 0.00 0.00 179.01 181.03 2wmy h GLN 137 N -0.01 0.64 -0.34 1.92 4.20 -0.66 -1.34 115.11 119.52 2wmy h GLN 137 Ca 0.04 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2wmy h GLN 137 Cb 0.53 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2wmy h GLN 137 CO 0.02 0.42 0.03 0.00 -0.67 0.00 0.00 178.83 178.64 2wmy h ALA 138 N 1.31 0.45 -0.67 3.87 0.00 -0.76 -2.19 119.26 121.26 2wmy h ALA 138 Ca 0.27 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2wmy h ALA 138 Cb 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2wmy h ALA 138 CO -0.15 0.17 0.40 0.77 0.00 0.00 0.00 179.25 180.44 2wmy h SER 139 N 0.39 0.63 0.10 0.00 0.02 -0.85 -0.98 113.55 112.86 2wmy h SER 139 Ca 0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2wmy h SER 139 Cb 0.39 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2wmy h SER 139 CO 0.01 0.42 -0.08 0.11 -1.14 0.00 0.00 176.83 176.15 2wmy h LYS 140 N 0.76 -0.19 -0.61 3.45 1.57 -0.97 0.18 116.57 120.75 2wmy h LYS 140 Ca 0.28 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.17 2wmy h LYS 140 Cb 0.09 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 2wmy h LYS 140 CO -0.14 -0.13 0.23 0.00 -0.57 0.00 0.00 179.45 178.85 2wmy h ARG 141 N -0.20 0.40 -0.71 3.15 2.47 -1.12 -1.97 114.38 116.40 2wmy h ARG 141 Ca -0.00 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2wmy h ARG 141 Cb 0.18 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 2wmy h ARG 141 CO -0.01 0.27 0.32 -1.49 0.56 0.00 0.00 179.97 179.61 2wmy h TRP 142 N 0.42 1.05 -0.53 3.04 4.06 -0.63 -2.12 115.95 121.24 2wmy h TRP 142 Ca 0.31 -0.06 0.01 0.00 2.06 0.00 0.00 58.89 61.21 2wmy h TRP 142 Cb 0.38 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 2wmy h TRP 142 CO -0.16 0.79 0.35 0.00 -3.56 0.00 0.00 178.44 175.86 2wmy h ALA 143 N 1.15 1.64 0.00 1.49 0.00 -0.03 -1.09 119.26 122.42 2wmy h ALA 143 Ca 0.24 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2wmy h ALA 143 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2wmy h ALA 143 CO -0.03 0.33 -1.02 1.05 0.00 0.00 0.00 179.25 179.58 2wmy h GLU 144 N 0.70 0.00 0.00 0.00 4.11 -1.02 0.12 114.58 118.50 2wmy h GLU 144 Ca 0.20 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.46 2wmy h GLU 144 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2wmy h GLU 144 CO -0.04 0.79 -0.82 0.87 0.07 0.00 0.00 179.01 179.88 2wmy h LYS 145 N 0.00 0.01 0.00 1.06 1.79 -0.96 -3.32 116.57 115.15 2wmy h LYS 145 Ca -0.05 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.22 2wmy h LYS 145 Cb 1.72 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.34 2wmy h LYS 145 CO 0.11 0.82 -2.02 1.28 -1.08 0.00 0.00 179.45 178.56 2wmy n LEU 146 N -3.58 0.19 -0.10 2.94 4.77 -0.45 -5.10 117.00 115.66 2wmy n LEU 146 Ca -0.01 0.08 0.16 0.00 -0.03 0.00 0.00 56.01 56.21 2wmy n LEU 146 Cb 0.78 0.21 0.86 0.00 -2.33 0.00 0.00 43.42 42.95 2wmy n LEU 146 CO 0.45 0.22 1.06 0.61 -1.33 0.00 0.00 177.39 178.40