#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mw4 n SER 2 N 0.00 -1.25 -4.55 1.61 2.88 -1.26 -5.03 113.62 106.02 1mw4 n SER 2 Ca 0.00 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.79 1mw4 n SER 2 Cb 0.00 1.34 -0.09 0.00 -0.75 0.00 0.00 64.21 64.71 1mw4 n SER 2 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1mw4 n PRO 3 N -3.03 0.40 -4.17 -1.46 -0.04 -1.26 -4.89 135.00 120.55 1mw4 n PRO 3 Ca 0.00 -1.02 -0.34 0.00 -0.04 0.00 0.00 63.50 62.09 1mw4 n PRO 3 Cb 0.00 -3.58 -0.13 0.00 -0.04 0.00 0.00 33.50 29.75 1mw4 n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mw4 s ALA 4 N 14.55 2.94 -0.13 0.55 0.00 -1.26 -5.10 121.76 133.30 1mw4 s ALA 4 Ca 0.90 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1mw4 s ALA 4 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1mw4 s ALA 4 CO 0.13 -0.11 0.01 0.45 0.00 0.00 0.00 175.76 176.24 1mw4 s SER 5 N 0.93 5.23 0.00 0.00 0.15 -1.26 -4.93 113.70 113.82 1mw4 s SER 5 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1mw4 s SER 5 Cb -0.14 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1mw4 s SER 5 CO 0.01 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1mw4 n GLY 6 N 2.86 0.00 3.38 9.45 0.00 -1.26 -5.17 105.19 114.46 1mw4 n GLY 6 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1mw4 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mw4 s THR 7 N 0.00 0.06 -0.26 2.61 -1.32 -1.26 -5.15 115.64 110.32 1mw4 s THR 7 Ca 0.00 -1.19 -0.01 0.00 -1.21 0.00 0.00 61.69 59.28 1mw4 s THR 7 Cb 0.00 -1.73 0.13 0.00 -1.51 0.00 0.00 72.50 69.40 1mw4 s THR 7 CO 0.00 -0.27 0.35 -0.55 -2.21 0.00 0.00 174.62 171.94 1mw4 s SER 8 N -2.93 0.66 0.39 8.08 0.15 -1.26 -5.15 113.70 113.63 1mw4 s SER 8 Ca 0.14 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 56.70 1mw4 s SER 8 Cb 0.02 0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 65.22 1mw4 s SER 8 CO -0.02 -0.33 0.16 -0.76 1.20 0.00 0.00 173.24 173.49 1mw4 s LEU 9 N 2.49 1.92 0.30 3.45 1.43 -1.26 -5.18 118.68 121.82 1mw4 s LEU 9 Ca 0.11 -1.68 -0.08 0.00 -1.03 0.00 0.00 54.13 51.45 1mw4 s LEU 9 Cb -0.15 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1mw4 s LEU 9 CO -0.21 -0.95 0.47 -0.55 0.23 0.00 0.00 176.35 175.34 1mw4 s SER 10 N -3.55 0.38 0.34 2.29 0.15 -1.26 -4.92 113.70 107.13 1mw4 s SER 10 Ca 0.28 -1.23 -0.05 0.00 0.70 0.00 0.00 55.95 55.65 1mw4 s SER 10 Cb 0.03 0.63 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1mw4 s SER 10 CO 0.17 -1.23 0.51 0.00 1.20 0.00 0.00 173.24 173.89 1mw4 s ALA 11 N -3.47 0.51 -0.43 5.45 0.00 -1.26 -5.11 121.76 117.44 1mw4 s ALA 11 Ca 0.27 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1mw4 s ALA 11 Cb -0.00 1.09 0.22 0.00 0.00 0.00 0.00 23.12 24.43 1mw4 s ALA 11 CO 0.14 -0.82 0.58 0.00 0.00 0.00 0.00 175.76 175.66 1mw4 n ALA 12 N -0.54 1.25 0.41 0.00 0.00 -1.26 -4.95 120.51 115.41 1mw4 n ALA 12 Ca -0.00 -2.65 0.13 0.00 0.00 0.00 0.00 53.44 50.92 1mw4 n ALA 12 Cb 0.61 -0.98 0.34 0.00 0.00 0.00 0.00 19.45 19.42 1mw4 n ALA 12 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1mw4 h ILE 13 N 3.18 0.00 -2.39 0.00 2.10 -2.00 -3.44 117.51 114.95 1mw4 h ILE 13 Ca 0.07 -0.68 -0.56 0.00 1.08 0.00 0.00 64.86 64.78 1mw4 h ILE 13 Cb 0.94 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.33 1mw4 h ILE 13 CO 0.36 0.00 1.26 -1.00 -1.08 0.00 0.00 178.15 177.69 1mw4 s HIS 14 N -3.22 1.52 0.00 2.19 3.76 -1.26 -4.79 115.29 113.49 1mw4 s HIS 14 Ca 0.08 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1mw4 s HIS 14 Cb 0.09 -4.07 0.00 0.00 1.11 0.00 0.00 32.58 29.71 1mw4 s HIS 14 CO 0.61 -4.38 0.12 2.89 -0.85 0.00 0.00 174.74 173.12 1mw4 n ARG 15 N 7.83 2.68 0.00 1.40 1.85 -1.26 -5.00 116.66 124.17 1mw4 n ARG 15 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1mw4 n ARG 15 Cb 0.43 -0.51 0.00 0.00 -1.05 0.00 0.00 32.46 31.33 1mw4 n ARG 15 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1mw4 n THR 16 N -0.42 0.00 -2.04 8.89 -2.24 -1.26 -5.04 114.28 112.17 1mw4 n THR 16 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1mw4 n THR 16 Cb 0.03 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1mw4 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mw4 n GLN 17 N -0.38 0.00 -1.29 -0.78 -0.00 -1.26 -5.13 117.38 108.54 1mw4 n GLN 17 Ca 0.00 -0.65 -0.30 0.00 -0.00 0.00 0.00 57.00 56.06 1mw4 n GLN 17 Cb 0.00 -0.16 0.20 0.00 -0.00 0.00 0.00 30.24 30.29 1mw4 n GLN 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1mw4 s LEU 18 N 0.00 1.37 -0.36 2.61 2.01 -1.26 -5.03 118.68 118.01 1mw4 s LEU 18 Ca 0.03 0.74 0.13 0.00 0.01 0.00 0.00 54.13 55.04 1mw4 s LEU 18 Cb 0.03 -2.69 0.38 0.00 0.01 0.00 0.00 46.19 43.91 1mw4 s LEU 18 CO -0.01 -3.49 0.78 -2.67 1.01 0.00 0.00 176.35 171.97 1mw4 n TRP 19 N -4.35 0.39 -5.04 0.29 -0.00 -1.26 -4.93 117.44 102.55 1mw4 n TRP 19 Ca 0.11 -3.58 -0.32 0.00 -0.00 0.00 0.00 57.50 53.71 1mw4 n TRP 19 Cb 0.59 -0.41 -0.15 0.00 -0.00 0.00 0.00 31.31 31.35 1mw4 n TRP 19 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 1mw4 s PHE 20 N -2.58 2.60 0.19 -2.67 0.40 -1.25 -2.85 117.98 111.82 1mw4 s PHE 20 Ca 0.37 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1mw4 s PHE 20 Cb 0.38 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 1mw4 s PHE 20 CO -0.05 -0.06 0.13 -1.58 0.70 0.00 0.00 175.22 174.36 1mw4 s HIS 21 N -0.29 1.10 0.00 0.36 2.46 -1.15 -4.67 115.29 113.10 1mw4 s HIS 21 Ca 0.01 -1.34 0.00 0.00 0.47 0.00 0.00 55.06 54.20 1mw4 s HIS 21 Cb -0.13 -0.53 0.00 0.00 -0.13 0.00 0.00 32.58 31.79 1mw4 s HIS 21 CO 0.03 -0.64 0.00 0.41 -2.47 0.00 0.00 174.74 172.07 1mw4 n GLY 22 N -0.25 0.51 3.55 1.59 0.00 -1.26 -0.69 105.19 108.64 1mw4 n GLY 22 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1mw4 n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mw4 s ARG 23 N 3.66 2.51 -0.19 1.61 3.00 -0.92 -2.76 118.95 125.86 1mw4 s ARG 23 Ca 0.00 0.74 0.01 0.00 -1.00 0.00 0.00 55.73 55.48 1mw4 s ARG 23 Cb 0.00 -4.45 0.03 0.00 0.00 0.00 0.00 34.95 30.53 1mw4 s ARG 23 CO 0.00 -2.88 -0.15 -1.50 0.00 0.00 0.00 175.30 170.78 1mw4 s ILE 24 N 9.78 1.85 -0.74 4.11 2.07 -1.24 -4.90 121.20 132.13 1mw4 s ILE 24 Ca 0.73 -1.00 -0.13 0.00 -1.41 0.00 0.00 60.65 58.85 1mw4 s ILE 24 Cb -0.13 -1.80 -0.22 0.00 0.13 0.00 0.00 42.46 40.44 1mw4 s ILE 24 CO 0.21 0.33 1.75 -0.24 -1.91 0.00 0.00 174.94 175.08 1mw4 n SER 25 N 4.64 -0.60 -0.14 4.50 2.88 -1.26 -4.73 113.62 118.91 1mw4 n SER 25 Ca -0.17 -0.20 -0.04 0.00 -1.33 0.00 0.00 58.87 57.12 1mw4 n SER 25 Cb 0.48 -0.50 0.05 0.00 -0.75 0.00 0.00 64.21 63.48 1mw4 n SER 25 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1mw4 h ARG 26 N 8.42 0.26 -0.84 -1.46 -0.00 -1.97 1.27 114.38 120.07 1mw4 h ARG 26 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1mw4 h ARG 26 Cb 0.89 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.97 30.76 1mw4 h ARG 26 CO 1.14 0.17 0.47 0.93 -0.00 0.00 0.00 179.97 182.68 1mw4 h GLU 27 N 0.26 1.16 0.00 0.08 4.39 -1.99 -2.36 114.58 116.12 1mw4 h GLU 27 Ca 0.22 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 1mw4 h GLU 27 Cb 0.25 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1mw4 h GLU 27 CO -0.26 0.84 -0.68 1.49 -1.16 0.00 0.00 179.01 179.24 1mw4 h GLU 28 N 1.17 0.00 -0.28 2.33 4.81 -1.66 -3.33 114.58 117.61 1mw4 h GLU 28 Ca 0.30 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1mw4 h GLU 28 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1mw4 h GLU 28 CO -0.05 0.65 -0.05 1.03 -0.73 0.00 0.00 179.01 179.86 1mw4 h SER 29 N 0.00 -0.22 -0.03 1.04 0.87 0.21 0.02 113.55 115.45 1mw4 h SER 29 Ca -0.01 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1mw4 h SER 29 Cb 1.51 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1mw4 h SER 29 CO 0.09 -0.07 0.04 0.06 -0.53 0.00 0.00 176.83 176.41 1mw4 h GLN 30 N 0.02 0.00 0.00 2.24 3.07 -1.65 0.38 115.11 119.17 1mw4 h GLN 30 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.77 1mw4 h GLN 30 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.75 1mw4 h GLN 30 CO -0.27 0.00 -0.52 -0.09 0.09 0.00 0.00 178.83 178.04 1mw4 h ARG 31 N 0.00 0.00 0.00 0.06 9.65 -1.13 -2.00 114.38 120.95 1mw4 h ARG 31 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1mw4 h ARG 31 Cb 0.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1mw4 h ARG 31 CO -0.00 0.52 -0.48 1.28 2.80 0.00 0.00 179.97 184.08 1mw4 n LEU 32 N -3.69 1.05 0.00 3.80 4.32 -0.11 -4.56 117.00 117.80 1mw4 n LEU 32 Ca -0.01 0.17 0.07 0.00 -0.02 0.00 0.00 56.01 56.23 1mw4 n LEU 32 Cb 0.57 -0.57 0.34 0.00 -1.62 0.00 0.00 43.42 42.15 1mw4 n LEU 32 CO 0.40 -0.41 0.71 -0.38 -1.22 0.00 0.00 177.39 176.49 1mw4 n ILE 33 N -3.54 0.79 -0.79 -0.08 -0.00 0.11 -2.39 119.36 113.46 1mw4 n ILE 33 Ca -0.07 0.20 -0.12 0.00 -0.00 0.00 0.00 62.75 62.76 1mw4 n ILE 33 Cb 0.25 -0.95 0.21 0.00 -0.00 0.00 0.00 39.64 39.15 1mw4 n ILE 33 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1mw4 n GLY 34 N -0.04 3.69 0.03 7.39 0.00 -0.75 -3.43 105.19 112.07 1mw4 n GLY 34 Ca 0.05 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.24 1mw4 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mw4 n GLN 35 N -0.45 3.75 -0.73 1.61 -0.00 -1.01 -3.76 117.38 116.79 1mw4 n GLN 35 Ca 0.42 -0.07 -0.32 0.00 -0.00 0.00 0.00 57.00 57.03 1mw4 n GLN 35 Cb 1.36 -0.95 0.15 0.00 -0.00 0.00 0.00 30.24 30.80 1mw4 n GLN 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1mw4 n GLN 36 N -1.11 -0.79 0.00 2.61 6.02 -1.22 -4.93 117.38 117.96 1mw4 n GLN 36 Ca 0.02 -0.20 0.11 0.00 -0.01 0.00 0.00 57.00 56.93 1mw4 n GLN 36 Cb 0.15 -1.87 0.03 0.00 1.02 0.00 0.00 30.24 29.58 1mw4 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mw4 n GLY 37 N 1.53 0.32 3.88 1.08 0.00 -1.26 -4.90 105.19 105.84 1mw4 n GLY 37 Ca 0.05 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1mw4 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mw4 s LEU 38 N -2.33 3.14 0.00 0.99 2.01 -1.26 -5.08 118.68 116.15 1mw4 s LEU 38 Ca 0.21 1.32 -0.08 0.00 0.01 0.00 0.00 54.13 55.59 1mw4 s LEU 38 Cb 0.19 -4.29 0.11 0.00 0.01 0.00 0.00 46.19 42.21 1mw4 s LEU 38 CO 0.49 -1.00 0.66 1.33 1.01 0.00 0.00 176.35 178.84 1mw4 n VAL 39 N -2.81 0.00 -0.13 -1.59 0.24 -1.26 -4.42 118.33 108.36 1mw4 n VAL 39 Ca 0.06 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.34 61.84 1mw4 n VAL 39 Cb 0.55 -1.75 -0.01 0.00 -1.47 0.00 0.00 33.84 31.16 1mw4 n VAL 39 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mw4 n ASP 40 N -3.43 0.75 0.00 -1.34 9.92 -1.00 -3.02 116.55 118.42 1mw4 n ASP 40 Ca 0.08 -1.80 0.00 0.00 -0.53 0.00 0.00 54.79 52.54 1mw4 n ASP 40 Cb 0.29 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1mw4 n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mw4 n GLY 41 N 3.37 0.99 3.37 0.44 0.00 -1.17 -4.09 105.19 108.09 1mw4 n GLY 41 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1mw4 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mw4 s LEU 42 N -0.84 5.64 0.29 0.99 1.43 -1.17 -1.74 118.68 123.28 1mw4 s LEU 42 Ca 0.00 -1.43 0.09 0.00 -1.03 0.00 0.00 54.13 51.75 1mw4 s LEU 42 Cb 0.00 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1mw4 s LEU 42 CO 0.00 -0.86 0.08 0.72 0.23 0.00 0.00 176.35 176.52 1mw4 s PHE 43 N 2.03 2.76 0.01 0.29 -0.12 -1.26 0.12 117.98 121.82 1mw4 s PHE 43 Ca 0.07 -0.26 -0.00 0.00 -0.05 0.00 0.00 56.93 56.69 1mw4 s PHE 43 Cb -0.25 -1.38 -0.01 0.00 -0.63 0.00 0.00 43.02 40.74 1mw4 s PHE 43 CO 0.06 0.50 -0.01 -1.17 -0.05 0.00 0.00 175.22 174.56 1mw4 s LEU 44 N -3.76 2.11 -0.85 -1.99 2.96 0.36 -4.45 118.68 113.05 1mw4 s LEU 44 Ca 0.34 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.90 1mw4 s LEU 44 Cb -0.05 0.07 0.22 0.00 0.50 0.00 0.00 46.19 46.93 1mw4 s LEU 44 CO 0.22 -0.16 0.77 -0.69 -1.32 0.00 0.00 176.35 175.16 1mw4 s VAL 45 N -0.78 5.18 0.29 1.68 1.01 -1.13 0.16 120.40 126.80 1mw4 s VAL 45 Ca -0.09 -2.89 0.06 0.00 0.00 0.00 0.00 61.98 59.06 1mw4 s VAL 45 Cb -0.05 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1mw4 s VAL 45 CO -0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 175.10 174.04 1mw4 s ARG 46 N -0.31 1.57 0.00 2.72 3.03 -0.84 -2.94 118.95 122.18 1mw4 s ARG 46 Ca 0.21 -1.82 0.00 0.00 2.03 0.00 0.00 55.73 56.15 1mw4 s ARG 46 Cb -0.12 -1.06 0.00 0.00 -1.03 0.00 0.00 34.95 32.74 1mw4 s ARG 46 CO -0.08 -0.03 0.00 -0.85 -1.13 0.00 0.00 175.30 173.21 1mw4 n GLU 47 N -0.61 0.00 -5.07 3.89 0.28 0.14 -1.89 120.64 117.38 1mw4 n GLU 47 Ca -0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.67 1mw4 n GLU 47 Cb 0.64 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.35 1mw4 n GLU 47 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1mw4 s SER 48 N 0.93 2.60 0.00 -1.84 1.04 -1.19 -2.17 113.70 113.07 1mw4 s SER 48 Ca 0.00 -0.41 0.22 0.00 0.48 0.00 0.00 55.95 56.24 1mw4 s SER 48 Cb 0.00 -0.49 0.58 0.00 0.10 0.00 0.00 66.02 66.21 1mw4 s SER 48 CO 0.00 0.24 1.49 0.00 0.98 0.00 0.00 173.24 175.95 1mw4 n GLN 49 N 2.77 2.59 -0.08 4.02 -0.00 -1.26 -4.05 117.38 121.37 1mw4 n GLN 49 Ca -0.16 -2.45 -0.10 0.00 -0.00 0.00 0.00 57.00 54.29 1mw4 n GLN 49 Cb 0.52 -1.54 -0.10 0.00 -0.00 0.00 0.00 30.24 29.13 1mw4 n GLN 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1mw4 n ARG 50 N 1.53 1.11 -2.71 2.61 3.00 -1.26 -4.94 116.66 116.00 1mw4 n ARG 50 Ca 0.22 0.05 -0.43 0.00 -0.00 0.00 0.00 57.85 57.69 1mw4 n ARG 50 Cb 0.59 -1.36 -0.03 0.00 0.00 0.00 0.00 32.46 31.67 1mw4 n ARG 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1mw4 s ASN 51 N -5.20 7.11 0.47 6.15 0.02 -1.26 -4.90 114.94 117.33 1mw4 s ASN 51 Ca -0.15 1.37 0.38 0.00 -1.02 0.00 0.00 52.86 53.44 1mw4 s ASN 51 Cb 0.05 -2.53 1.55 0.00 0.02 0.00 0.00 41.25 40.34 1mw4 s ASN 51 CO 0.50 -0.56 1.54 -2.65 0.02 0.00 0.00 177.10 175.95 1mw4 n PRO 52 N 5.76 -0.02 -3.48 -0.60 -0.02 -1.26 -1.07 135.00 134.30 1mw4 n PRO 52 Ca 0.10 1.19 -0.27 0.00 -2.02 0.00 0.00 63.50 62.50 1mw4 n PRO 52 Cb 0.47 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 1mw4 n PRO 52 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1mw4 n GLN 53 N -4.45 1.35 -3.38 -0.52 1.13 -1.26 -5.07 117.38 105.19 1mw4 n GLN 53 Ca 0.41 -3.92 -0.45 0.00 -1.94 0.00 0.00 57.00 51.10 1mw4 n GLN 53 Cb 1.69 -1.88 -0.05 0.00 0.11 0.00 0.00 30.24 30.11 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1mw4 s GLY 54 N -1.30 2.20 -0.11 1.08 0.00 -0.23 -4.52 107.32 104.44 1mw4 s GLY 54 Ca 0.33 -2.71 -0.04 0.00 0.00 0.00 0.00 44.72 42.30 1mw4 s GLY 54 CO -0.12 1.19 0.08 -1.36 0.00 0.00 0.00 173.10 172.88 1mw4 s PHE 55 N 1.21 0.13 0.07 1.90 0.40 -1.26 -3.17 117.98 117.26 1mw4 s PHE 55 Ca 0.07 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1mw4 s PHE 55 Cb -0.25 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1mw4 s PHE 55 CO -0.00 -0.37 -0.11 0.54 0.70 0.00 0.00 175.22 175.99 1mw4 s VAL 56 N 2.15 0.85 -0.22 -0.44 0.11 -0.79 -3.48 120.40 118.59 1mw4 s VAL 56 Ca 0.03 -1.35 -0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1mw4 s VAL 56 Cb -0.14 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1mw4 s VAL 56 CO -0.06 -0.40 -0.13 -0.22 -3.33 0.00 0.00 175.10 170.96 1mw4 s LEU 57 N -1.93 2.71 0.10 2.54 0.20 -1.10 -2.00 118.68 119.20 1mw4 s LEU 57 Ca -0.02 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.03 1mw4 s LEU 57 Cb -0.07 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 1mw4 s LEU 57 CO 0.01 -0.06 0.25 -0.44 -0.29 0.00 0.00 176.35 175.82 1mw4 s SER 58 N 1.30 6.37 0.29 3.68 0.01 0.42 -1.91 113.70 123.86 1mw4 s SER 58 Ca 0.02 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.57 1mw4 s SER 58 Cb -0.15 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.13 1mw4 s SER 58 CO -0.08 0.12 0.10 0.18 0.41 0.00 0.00 173.24 173.96 1mw4 n LEU 59 N 0.01 0.00 -3.22 2.44 4.77 -0.87 0.13 117.00 120.27 1mw4 n LEU 59 Ca -0.05 -1.69 -0.23 0.00 -0.03 0.00 0.00 56.01 54.01 1mw4 n LEU 59 Cb 0.52 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1mw4 n LEU 59 CO 0.51 -0.33 -0.26 0.00 -1.33 0.00 0.00 177.39 175.98 1mw4 s HIS 61 N -0.54 -0.20 -0.40 0.00 5.04 0.14 -2.38 115.29 116.95 1mw4 s HIS 61 Ca 0.34 0.72 0.00 0.00 -1.54 0.00 0.00 55.06 54.58 1mw4 s HIS 61 Cb 0.12 -2.92 0.38 0.00 0.04 0.00 0.00 32.58 30.19 1mw4 s HIS 61 CO -0.15 -4.79 1.86 1.47 -2.34 0.00 0.00 174.74 170.79 1mw4 n LEU 62 N -5.52 6.40 0.00 8.88 -0.00 -1.26 -3.31 117.00 122.19 1mw4 n LEU 62 Ca 0.10 -3.39 0.00 0.00 -0.00 0.00 0.00 56.01 52.72 1mw4 n LEU 62 Cb 0.59 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 1mw4 n LEU 62 CO 0.46 1.14 0.00 0.00 -0.00 0.00 0.00 177.39 178.99 1mw4 n GLN 63 N -0.37 0.00 0.00 1.47 6.02 -1.26 -5.03 117.38 118.20 1mw4 n GLN 63 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1mw4 n GLN 63 Cb 0.91 -0.18 0.00 0.00 1.02 0.00 0.00 30.24 31.99 1mw4 n GLN 63 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1mw4 n LYS 64 N -0.79 0.00 -4.06 -1.09 2.85 -1.21 -4.62 118.16 109.24 1mw4 n LYS 64 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1mw4 n LYS 64 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1mw4 n LYS 64 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1mw4 s VAL 65 N 0.34 0.19 0.43 0.58 -7.23 -1.26 0.27 120.40 113.73 1mw4 s VAL 65 Ca 0.00 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1mw4 s VAL 65 Cb 0.00 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1mw4 s VAL 65 CO 0.00 -0.88 0.07 -0.54 -0.31 0.00 0.00 175.10 173.44 1mw4 s LYS 66 N -3.40 1.99 -0.01 4.82 -0.14 -1.11 -4.65 119.74 117.24 1mw4 s LYS 66 Ca 0.02 -2.22 -0.02 0.00 -1.36 0.00 0.00 55.97 52.39 1mw4 s LYS 66 Cb 0.04 -1.01 0.00 0.00 -1.68 0.00 0.00 37.83 35.19 1mw4 s LYS 66 CO -0.08 -0.38 0.04 -1.01 -0.76 0.00 0.00 175.35 173.16 1mw4 s HIS 67 N -3.08 -0.02 -0.50 3.18 3.76 -1.26 -2.06 115.29 115.32 1mw4 s HIS 67 Ca 0.20 0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.22 1mw4 s HIS 67 Cb 0.03 -0.00 0.20 0.00 1.11 0.00 0.00 32.58 33.92 1mw4 s HIS 67 CO 0.11 -0.05 0.46 0.66 -0.85 0.00 0.00 174.74 175.07 1mw4 n TYR 68 N 2.85 0.65 -3.88 1.40 4.02 -0.80 -4.91 117.16 116.49 1mw4 n TYR 68 Ca -0.14 -3.68 -0.30 0.00 -0.01 0.00 0.00 57.90 53.77 1mw4 n TYR 68 Cb 0.59 -0.17 -0.15 0.00 -0.02 0.00 0.00 39.34 39.59 1mw4 n TYR 68 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mw4 s LEU 69 N -0.86 2.75 0.00 7.72 1.98 -1.23 -2.70 118.68 126.33 1mw4 s LEU 69 Ca 0.33 -1.43 0.00 0.00 -2.89 0.00 0.00 54.13 50.13 1mw4 s LEU 69 Cb 0.07 -1.13 0.00 0.00 0.66 0.00 0.00 46.19 45.79 1mw4 s LEU 69 CO -0.15 -0.31 0.00 -0.38 -1.89 0.00 0.00 176.35 173.62 1mw4 n ILE 70 N 4.68 0.00 -3.68 6.68 5.41 -1.23 -4.77 119.36 126.44 1mw4 n ILE 70 Ca -0.06 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.50 1mw4 n ILE 70 Cb 0.43 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.19 1mw4 n ILE 70 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1mw4 s LEU 71 N -0.64 0.22 0.88 1.39 1.43 -0.91 -4.96 118.68 116.10 1mw4 s LEU 71 Ca 0.00 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 1mw4 s LEU 71 Cb 0.00 -0.00 0.15 0.00 0.03 0.00 0.00 46.19 46.36 1mw4 s LEU 71 CO 0.00 -0.23 1.24 -2.16 0.23 0.00 0.00 176.35 175.43 1mw4 s PRO 72 N 2.02 1.23 0.05 1.29 0.04 -1.26 -2.58 135.00 135.80 1mw4 s PRO 72 Ca 0.02 -0.27 -0.31 0.00 0.04 0.00 0.00 61.00 60.47 1mw4 s PRO 72 Cb -0.12 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1mw4 s PRO 72 CO -0.04 -2.01 1.89 0.43 0.04 0.00 0.00 177.00 177.31 1mw4 n SER 73 N -3.51 3.93 -5.00 6.66 7.64 -1.25 -4.05 113.62 118.05 1mw4 n SER 73 Ca 0.12 0.96 -0.19 0.00 1.01 0.00 0.00 58.87 60.77 1mw4 n SER 73 Cb 0.60 -1.50 0.03 0.00 -1.01 0.00 0.00 64.21 62.33 1mw4 n SER 73 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1mw4 s GLU 74 N 3.56 2.53 -0.04 1.43 2.56 -1.12 -5.01 118.70 122.62 1mw4 s GLU 74 Ca 0.87 -1.51 0.18 0.00 0.00 0.00 0.00 54.97 54.51 1mw4 s GLU 74 Cb -0.51 -2.62 0.59 0.00 2.00 0.00 0.00 34.13 33.58 1mw4 s GLU 74 CO 0.42 -0.55 1.48 -1.91 -0.56 0.00 0.00 175.26 174.15 1mw4 n GLU 75 N -1.99 2.81 0.00 4.30 2.13 -1.26 -3.36 120.64 123.27 1mw4 n GLU 75 Ca 0.10 -2.36 0.00 0.00 0.66 0.00 0.00 57.16 55.57 1mw4 n GLU 75 Cb 0.61 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.70 1mw4 n GLU 75 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1mw4 n GLU 76 N 1.21 0.85 0.00 5.31 0.28 -1.26 -5.07 120.64 121.96 1mw4 n GLU 76 Ca 0.22 -0.91 0.00 0.00 -0.16 0.00 0.00 57.16 56.31 1mw4 n GLU 76 Cb 0.63 -0.95 0.00 0.00 1.43 0.00 0.00 31.44 32.55 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mw4 n GLY 77 N -0.22 2.29 0.00 -1.84 0.00 -1.22 -5.17 105.19 99.03 1mw4 n GLY 77 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1mw4 n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mw4 n ARG 78 N 0.00 0.00 -2.71 1.61 0.00 -1.26 -4.25 116.66 110.05 1mw4 n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1mw4 n ARG 78 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.43 1mw4 n ARG 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1mw4 s LEU 79 N 0.00 4.36 -0.49 2.89 1.43 -0.09 -2.79 118.68 123.98 1mw4 s LEU 79 Ca 0.00 1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 54.67 1mw4 s LEU 79 Cb 0.00 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.78 1mw4 s LEU 79 CO 0.00 -0.27 0.35 -0.31 0.23 0.00 0.00 176.35 176.35 1mw4 s TYR 80 N 1.07 3.47 0.23 0.29 1.51 -1.06 0.13 117.35 122.99 1mw4 s TYR 80 Ca 0.52 -2.06 -0.12 0.00 -1.01 0.00 0.00 57.07 54.40 1mw4 s TYR 80 Cb -0.21 -3.44 -0.01 0.00 -0.11 0.00 0.00 41.96 38.20 1mw4 s TYR 80 CO 0.27 -0.98 0.43 -0.59 -1.11 0.00 0.00 175.55 173.58 1mw4 s PHE 81 N 1.13 0.39 0.00 2.71 -0.12 -1.26 -2.13 117.98 118.69 1mw4 s PHE 81 Ca 0.08 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 1mw4 s PHE 81 Cb -0.24 0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.27 1mw4 s PHE 81 CO -0.02 -0.93 0.00 0.45 -0.05 0.00 0.00 175.22 174.67 1mw4 n SER 82 N -0.35 0.00 0.00 1.98 2.88 -1.26 0.18 113.62 117.05 1mw4 n SER 82 Ca -0.03 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1mw4 n SER 82 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1mw4 n SER 82 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1mw4 n MET 83 N 0.00 0.00 -0.18 -1.46 0.00 -1.26 -4.88 117.12 109.35 1mw4 n MET 83 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 1mw4 n MET 83 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.24 1mw4 n MET 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1mw4 h ASP 84 N 0.00 0.64 -1.60 3.17 5.19 -2.00 -3.33 116.42 118.48 1mw4 h ASP 84 Ca 0.00 -0.09 -0.43 0.00 -0.62 0.00 0.00 57.03 55.89 1mw4 h ASP 84 Cb 0.00 -0.16 -0.40 0.00 0.18 0.00 0.00 39.33 38.95 1mw4 h ASP 84 CO 0.00 0.54 -1.19 -0.67 -3.12 0.00 0.00 179.24 174.80 1mw4 n ASP 85 N -4.65 1.02 -4.05 6.45 2.03 -1.26 -5.11 116.55 110.98 1mw4 n ASP 85 Ca 0.02 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.30 1mw4 n ASP 85 Cb 0.08 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 39.82 1mw4 n ASP 85 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1mw4 s GLY 86 N -2.68 1.58 -0.41 0.27 0.00 -1.25 -5.11 107.32 99.73 1mw4 s GLY 86 Ca 0.35 -1.75 0.05 0.00 0.00 0.00 0.00 44.72 43.37 1mw4 s GLY 86 CO -0.03 -1.40 0.42 0.61 0.00 0.00 0.00 173.10 172.69 1mw4 n GLN 87 N -0.33 0.38 -0.19 2.90 10.64 -1.26 -4.02 117.38 125.49 1mw4 n GLN 87 Ca 0.03 -3.14 0.12 0.00 -1.83 0.00 0.00 57.00 52.18 1mw4 n GLN 87 Cb 0.65 -1.51 0.21 0.00 -0.86 0.00 0.00 30.24 28.74 1mw4 n GLN 87 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1mw4 n THR 88 N 2.34 0.51 -0.05 -0.39 -2.24 0.51 -4.77 114.28 110.19 1mw4 n THR 88 Ca 0.26 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1mw4 n THR 88 Cb 0.50 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1mw4 n THR 88 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1mw4 n ARG 89 N 1.50 0.00 0.00 -0.78 0.63 0.47 -4.14 116.66 114.34 1mw4 n ARG 89 Ca 0.19 -0.21 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1mw4 n ARG 89 Cb 0.61 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1mw4 n ARG 89 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 1mw4 n PHE 90 N 3.66 0.00 -2.72 -0.14 1.16 0.34 -4.61 117.46 115.16 1mw4 n PHE 90 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 1mw4 n PHE 90 Cb 0.00 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 1mw4 n PHE 90 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1mw4 s THR 91 N -0.47 4.86 -0.02 1.97 2.01 -1.26 -0.91 115.64 121.81 1mw4 s THR 91 Ca 0.00 2.04 0.00 0.00 0.31 0.00 0.00 61.69 64.05 1mw4 s THR 91 Cb 0.00 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 1mw4 s THR 91 CO 0.00 0.17 -0.01 -0.67 -0.69 0.00 0.00 174.62 173.42 1mw4 n ASP 92 N 3.85 4.03 0.00 3.53 -0.08 -1.26 -4.62 116.55 122.00 1mw4 n ASP 92 Ca 0.06 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1mw4 n ASP 92 Cb 0.51 0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1mw4 n ASP 92 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1mw4 n LEU 93 N -2.44 0.00 -0.28 -2.67 0.00 -1.26 0.22 117.00 110.58 1mw4 n LEU 93 Ca -0.03 0.93 0.04 0.00 0.00 0.00 0.00 56.01 56.95 1mw4 n LEU 93 Cb 0.54 -0.44 0.18 0.00 0.00 0.00 0.00 43.42 43.71 1mw4 n LEU 93 CO 0.02 -0.44 1.09 0.25 0.00 0.00 0.00 177.39 178.32 1mw4 h LEU 94 N 0.00 0.51 -0.40 -1.96 7.12 -2.02 -1.54 115.31 117.03 1mw4 h LEU 94 Ca 0.00 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1mw4 h LEU 94 Cb 0.00 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 1mw4 h LEU 94 CO 0.00 0.26 0.23 1.56 -0.13 0.00 0.00 178.44 180.36 1mw4 h GLN 95 N 0.63 0.55 -0.43 1.25 1.08 -1.36 -3.07 115.11 113.77 1mw4 h GLN 95 Ca 0.41 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.60 1mw4 h GLN 95 Cb 0.51 -0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 27.75 1mw4 h GLN 95 CO -0.31 0.43 -0.49 1.25 -0.95 0.00 0.00 178.83 178.75 1mw4 h LEU 96 N 0.53 -1.68 0.00 1.46 6.46 0.38 1.13 115.31 123.59 1mw4 h LEU 96 Ca 0.14 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 58.13 1mw4 h LEU 96 Cb 0.02 0.70 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1mw4 h LEU 96 CO -0.03 -0.33 0.00 0.52 -0.62 0.00 0.00 178.44 177.98 1mw4 n VAL 97 N -5.03 0.00 0.20 1.05 0.31 -1.16 -1.36 118.33 112.34 1mw4 n VAL 97 Ca -0.02 1.33 -0.14 0.00 -0.01 0.00 0.00 64.34 65.50 1mw4 n VAL 97 Cb 0.29 -2.16 -0.08 0.00 -0.91 0.00 0.00 33.84 30.98 1mw4 n VAL 97 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1mw4 h GLU 98 N 0.00 -0.50 0.00 5.55 4.81 -1.49 -3.07 114.58 119.88 1mw4 h GLU 98 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1mw4 h GLU 98 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1mw4 h GLU 98 CO 0.00 -0.20 0.00 0.34 -0.73 0.00 0.00 179.01 178.42 1mw4 n PHE 99 N -5.20 0.00 0.11 0.92 7.35 0.39 -2.97 117.46 118.05 1mw4 n PHE 99 Ca -0.10 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.65 1mw4 n PHE 99 Cb 0.28 -0.19 0.34 0.00 0.35 0.00 0.00 39.48 40.26 1mw4 n PHE 99 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1mw4 n HIS 100 N -1.19 0.42 0.12 -5.13 1.44 -0.47 -0.88 115.22 109.54 1mw4 n HIS 100 Ca 0.04 0.22 -0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1mw4 n HIS 100 Cb 0.04 -0.77 -0.08 0.00 0.12 0.00 0.00 29.99 29.31 1mw4 n HIS 100 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 1mw4 h GLN 101 N 0.00 -0.60 -0.53 -1.40 1.08 -1.79 -3.16 115.11 108.71 1mw4 h GLN 101 Ca 0.00 0.04 -0.28 0.00 -1.45 0.00 0.00 58.65 56.96 1mw4 h GLN 101 Cb 0.21 0.14 -0.32 0.00 -0.05 0.00 0.00 27.48 27.46 1mw4 h GLN 101 CO 0.00 -0.40 -0.89 1.28 -0.95 0.00 0.00 178.83 177.86 1mw4 n LEU 102 N -4.73 0.45 -4.70 1.46 7.99 -0.97 -4.69 117.00 111.80 1mw4 n LEU 102 Ca -0.07 -3.42 -0.29 0.00 -0.01 0.00 0.00 56.01 52.22 1mw4 n LEU 102 Cb 0.32 0.32 0.20 0.00 -0.11 0.00 0.00 43.42 44.15 1mw4 n LEU 102 CO 0.14 1.51 0.68 0.54 -1.51 0.00 0.00 177.39 178.75 1mw4 s ASN 103 N -2.67 2.18 -1.10 -1.43 6.03 -0.06 -4.86 114.94 113.03 1mw4 s ASN 103 Ca 0.24 0.77 -0.12 0.00 -1.03 0.00 0.00 52.86 52.71 1mw4 s ASN 103 Cb 0.41 -1.15 -0.07 0.00 -3.03 0.00 0.00 41.25 37.41 1mw4 s ASN 103 CO -0.03 -3.36 2.25 0.54 -2.03 0.00 0.00 177.10 174.47 1mw4 n ARG 104 N -4.27 2.36 0.00 3.55 3.00 -1.26 -4.40 116.66 115.64 1mw4 n ARG 104 Ca 0.10 -1.87 0.00 0.00 -0.01 0.00 0.00 57.85 56.07 1mw4 n ARG 104 Cb 0.59 -2.76 0.00 0.00 0.00 0.00 0.00 32.46 30.29 1mw4 n ARG 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mw4 n GLY 105 N 3.97 -0.70 3.92 -0.13 0.00 -0.85 -4.81 105.19 106.60 1mw4 n GLY 105 Ca 0.54 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 1mw4 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mw4 s ILE 106 N 0.00 5.07 0.15 -0.61 2.07 -1.17 -5.00 121.20 121.71 1mw4 s ILE 106 Ca 0.00 -0.21 -0.31 0.00 -1.41 0.00 0.00 60.65 58.72 1mw4 s ILE 106 Cb 0.00 -3.80 -0.08 0.00 0.13 0.00 0.00 42.46 38.71 1mw4 s ILE 106 CO 0.00 -0.46 1.53 -0.07 -1.91 0.00 0.00 174.94 174.02 1mw4 h LEU 107 N 1.16 -2.02 0.00 8.50 4.07 -1.88 -3.41 115.31 121.74 1mw4 h LEU 107 Ca -0.49 0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1mw4 h LEU 107 Cb 1.20 0.88 0.00 0.00 1.08 0.00 0.00 40.66 43.82 1mw4 h LEU 107 CO 0.64 -0.27 0.00 -0.81 -1.08 0.00 0.00 178.44 176.91 1mw4 n PRO 108 N -5.21 0.00 0.00 1.13 -0.04 -1.26 -5.02 135.00 124.60 1mw4 n PRO 108 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mw4 n PRO 108 Cb 0.28 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1mw4 n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mw4 n LEU 110 N 0.00 -1.76 0.00 0.00 7.99 -1.26 -4.57 117.00 117.40 1mw4 n LEU 110 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 1mw4 n LEU 110 Cb 0.00 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 1mw4 n LEU 110 CO 0.00 -2.33 0.31 0.00 -1.51 0.00 0.00 177.39 173.86 1mw4 n LEU 111 N 1.22 0.90 -4.89 2.23 -0.00 -1.26 -3.03 117.00 112.17 1mw4 n LEU 111 Ca 0.04 -0.90 -0.33 0.00 -0.00 0.00 0.00 56.01 54.82 1mw4 n LEU 111 Cb 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.60 1mw4 n LEU 111 CO 0.27 0.23 -0.08 -0.13 -0.00 0.00 0.00 177.39 177.67 1mw4 s ARG 112 N -0.38 3.54 0.07 1.47 0.52 -1.26 -2.00 118.95 120.92 1mw4 s ARG 112 Ca 0.00 -0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 54.98 1mw4 s ARG 112 Cb 0.00 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 1mw4 s ARG 112 CO 0.00 0.62 0.11 -3.38 0.02 0.00 0.00 175.30 172.67 1mw4 s HIS 113 N -1.38 0.28 0.00 -0.53 -3.43 -1.19 -3.06 115.29 105.98 1mw4 s HIS 113 Ca 0.30 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.81 1mw4 s HIS 113 Cb -0.13 -0.18 0.00 0.00 -1.43 0.00 0.00 32.58 30.84 1mw4 s HIS 113 CO 0.19 -0.48 0.00 0.00 -2.00 0.00 0.00 174.74 172.45 1mw4 s THR 116 N -2.42 3.56 -0.83 0.00 2.01 -1.26 -3.97 115.64 112.73 1mw4 s THR 116 Ca 0.12 -1.74 0.01 0.00 0.31 0.00 0.00 61.69 60.39 1mw4 s THR 116 Cb 0.01 -2.87 0.24 0.00 0.01 0.00 0.00 72.50 69.89 1mw4 s THR 116 CO 0.09 -0.29 0.89 -1.14 -0.69 0.00 0.00 174.62 173.48 1mw4 n ARG 117 N -0.66 2.92 -1.75 4.92 3.00 -1.26 -5.03 116.66 118.80 1mw4 n ARG 117 Ca -0.08 -4.57 -0.04 0.00 -0.00 0.00 0.00 57.85 53.17 1mw4 n ARG 117 Cb 0.58 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.67 1mw4 n ARG 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1mw4 n VAL 118 N 1.55 0.00 0.33 5.15 0.24 -1.26 -4.98 118.33 119.36 1mw4 n VAL 118 Ca 0.25 -0.31 0.20 0.00 -2.04 0.00 0.00 64.34 62.45 1mw4 n VAL 118 Cb 0.37 -0.51 1.09 0.00 -1.47 0.00 0.00 33.84 33.33 1mw4 n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mw4 h ALA 119 N 0.69 1.07 -0.01 2.33 0.00 -2.08 -3.56 119.26 117.71 1mw4 h ALA 119 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1mw4 h ALA 119 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1mw4 h ALA 119 CO 0.08 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.53