#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 -1.24 0.22 1.61 2.88 -1.26 -4.92 113.62 110.90 1mw4 n SER 2 Ca 0.00 0.39 0.12 0.00 -1.33 0.00 0.00 58.87 58.05 1mw4 n SER 2 Cb 0.00 1.33 0.71 0.00 -0.75 0.00 0.00 64.21 65.50 1mw4 n SER 2 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1mw4 h PRO 3 N 0.00 0.00 -4.96 -1.46 0.13 -2.08 -3.43 132.00 120.19 1mw4 h PRO 3 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1mw4 h PRO 3 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1mw4 h PRO 3 CO 0.00 0.00 -0.66 0.00 -0.23 0.00 0.00 178.00 177.11 1mw4 s ALA 4 N -4.95 1.63 -0.01 -0.56 0.00 -1.26 -5.14 121.76 111.47 1mw4 s ALA 4 Ca -0.05 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.05 1mw4 s ALA 4 Cb 0.17 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1mw4 s ALA 4 CO 0.65 -0.29 0.31 -1.54 0.00 0.00 0.00 175.76 174.89 1mw4 s SER 5 N -3.26 -0.19 -0.20 0.00 1.04 -1.26 -4.75 113.70 105.09 1mw4 s SER 5 Ca 0.28 0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.67 1mw4 s SER 5 Cb 0.06 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1mw4 s SER 5 CO 0.07 -0.48 -0.25 0.61 0.98 0.00 0.00 173.24 174.18 1mw4 n GLY 6 N 1.16 -0.32 3.77 7.32 0.00 -1.26 -5.00 105.19 110.86 1mw4 n GLY 6 Ca -0.21 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1mw4 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mw4 s THR 7 N -2.37 2.56 -0.18 2.61 -4.23 -1.26 -5.03 115.64 107.75 1mw4 s THR 7 Ca -0.28 0.50 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1mw4 s THR 7 Cb 0.10 -3.29 0.09 0.00 1.34 0.00 0.00 72.50 70.74 1mw4 s THR 7 CO 0.36 0.07 0.34 -0.94 -0.54 0.00 0.00 174.62 173.91 1mw4 s SER 8 N -0.74 0.16 0.45 3.99 1.04 -1.26 -5.06 113.70 112.28 1mw4 s SER 8 Ca 0.58 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.65 1mw4 s SER 8 Cb -0.38 1.01 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1mw4 s SER 8 CO 0.49 -0.25 0.11 0.18 0.98 0.00 0.00 173.24 174.74 1mw4 n LEU 9 N 5.37 0.00 -4.79 2.42 4.32 -1.26 -5.12 117.00 117.93 1mw4 n LEU 9 Ca -0.07 -2.67 -0.36 0.00 -0.02 0.00 0.00 56.01 52.90 1mw4 n LEU 9 Cb 0.50 0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 42.44 1mw4 n LEU 9 CO 0.03 -0.44 0.67 -0.55 -1.22 0.00 0.00 177.39 175.87 1mw4 s SER 10 N -3.52 7.09 -0.44 -1.43 0.15 -1.26 -5.03 113.70 109.26 1mw4 s SER 10 Ca 0.08 1.83 0.06 0.00 0.70 0.00 0.00 55.95 58.61 1mw4 s SER 10 Cb -0.01 -2.57 0.20 0.00 -1.71 0.00 0.00 66.02 61.94 1mw4 s SER 10 CO 0.05 -0.25 0.51 0.00 1.20 0.00 0.00 173.24 174.76 1mw4 n ALA 11 N 0.03 1.39 -2.80 5.45 0.00 -1.26 -4.98 120.51 118.35 1mw4 n ALA 11 Ca 0.04 -2.58 -0.10 0.00 0.00 0.00 0.00 53.44 50.79 1mw4 n ALA 11 Cb 0.51 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 19.05 1mw4 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mw4 n ALA 12 N 2.42 1.62 -1.29 0.00 0.00 -1.26 -4.80 120.51 117.20 1mw4 n ALA 12 Ca 0.24 -2.30 -0.37 0.00 0.00 0.00 0.00 53.44 51.00 1mw4 n ALA 12 Cb 0.52 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1mw4 n ALA 12 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1mw4 n ILE 13 N -0.06 4.23 -4.43 0.00 3.06 -1.26 -4.84 119.36 116.05 1mw4 n ILE 13 Ca 0.08 -2.50 -0.22 0.00 -2.50 0.00 0.00 62.75 57.61 1mw4 n ILE 13 Cb 0.77 -2.57 -0.16 0.00 0.54 0.00 0.00 39.64 38.22 1mw4 n ILE 13 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1mw4 s HIS 14 N 2.06 1.10 -0.20 9.51 3.76 -1.26 -4.98 115.29 125.29 1mw4 s HIS 14 Ca 0.70 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.29 1mw4 s HIS 14 Cb 0.19 -0.82 0.01 0.00 1.11 0.00 0.00 32.58 33.07 1mw4 s HIS 14 CO -0.06 -0.17 0.51 2.89 -0.85 0.00 0.00 174.74 177.06 1mw4 n ARG 15 N 3.57 -0.04 0.00 1.40 1.85 -1.26 -4.98 116.66 117.20 1mw4 n ARG 15 Ca -0.21 -0.54 0.00 0.00 -1.00 0.00 0.00 57.85 56.10 1mw4 n ARG 15 Cb 0.53 -0.99 0.00 0.00 -1.05 0.00 0.00 32.46 30.95 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 -0.02 0.00 -2.75 8.89 -2.24 -1.26 -5.06 114.28 111.85 1mw4 n THR 16 Ca 0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1mw4 n THR 16 Cb 0.04 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.00 1.53 -0.33 -0.78 -0.00 -1.26 -5.14 117.38 111.40 1mw4 n GLN 17 Ca 0.00 -2.30 -0.20 0.00 -0.00 0.00 0.00 57.00 54.50 1mw4 n GLN 17 Cb 0.00 -0.54 0.19 0.00 -0.00 0.00 0.00 30.24 29.89 1mw4 n GLN 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1mw4 n LEU 18 N -1.09 0.00 -1.16 2.61 4.77 -1.26 -4.98 117.00 115.89 1mw4 n LEU 18 Ca -0.06 -0.56 0.05 0.00 -0.03 0.00 0.00 56.01 55.40 1mw4 n LEU 18 Cb 0.84 -0.76 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1mw4 n LEU 18 CO -0.05 -2.48 0.17 0.79 -1.33 0.00 0.00 177.39 174.50 1mw4 n TRP 19 N -4.79 0.01 -4.08 -1.77 8.01 -1.26 -5.04 117.44 108.51 1mw4 n TRP 19 Ca 0.09 -0.89 -0.32 0.00 -1.31 0.00 0.00 57.50 55.07 1mw4 n TRP 19 Cb 0.38 -0.19 -0.16 0.00 -2.01 0.00 0.00 31.31 29.34 1mw4 n TRP 19 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 1mw4 s PHE 20 N -1.25 2.61 0.03 -5.99 5.36 -1.24 -2.51 117.98 114.99 1mw4 s PHE 20 Ca 0.36 -1.56 -0.01 0.00 -0.96 0.00 0.00 56.93 54.75 1mw4 s PHE 20 Cb 0.38 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 1mw4 s PHE 20 CO -0.13 -0.77 -0.02 -1.58 -1.46 0.00 0.00 175.22 171.26 1mw4 s HIS 21 N 1.34 0.38 0.00 10.12 5.65 -1.14 -4.75 115.29 126.89 1mw4 s HIS 21 Ca 0.04 -0.78 0.00 0.00 0.25 0.00 0.00 55.06 54.57 1mw4 s HIS 21 Cb -0.14 -0.28 0.00 0.00 -1.18 0.00 0.00 32.58 30.98 1mw4 s HIS 21 CO -0.12 -0.29 0.00 0.41 -0.65 0.00 0.00 174.74 174.10 1mw4 n GLY 22 N 0.86 -0.06 3.52 1.59 0.00 -1.26 0.18 105.19 110.02 1mw4 n GLY 22 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1mw4 n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mw4 n ARG 23 N 0.00 0.26 -3.18 1.61 3.00 -1.25 -3.19 116.66 113.91 1mw4 n ARG 23 Ca 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.85 57.71 1mw4 n ARG 23 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 32.46 30.44 1mw4 n ARG 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1mw4 s ILE 24 N 8.43 -0.71 -0.37 5.15 2.07 -1.24 -4.97 121.20 129.56 1mw4 s ILE 24 Ca 1.24 -0.65 -0.33 0.00 -1.41 0.00 0.00 60.65 59.49 1mw4 s ILE 24 Cb -0.86 -0.28 -0.14 0.00 0.13 0.00 0.00 42.46 41.31 1mw4 s ILE 24 CO 0.42 -0.26 1.41 -1.20 -1.91 0.00 0.00 174.94 173.41 1mw4 n SER 25 N 3.99 0.69 -0.24 4.50 7.64 -1.26 -4.71 113.62 124.23 1mw4 n SER 25 Ca 0.14 0.65 -0.04 0.00 1.01 0.00 0.00 58.87 60.63 1mw4 n SER 25 Cb 0.53 -0.66 0.07 0.00 -1.01 0.00 0.00 64.21 63.14 1mw4 n SER 25 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1mw4 h ARG 26 N 5.41 0.81 -0.86 1.43 1.12 -1.98 1.20 114.38 121.51 1mw4 h ARG 26 Ca -0.18 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.63 1mw4 h ARG 26 Cb 1.03 -0.18 -0.04 0.00 -0.01 0.00 0.00 29.97 30.77 1mw4 h ARG 26 CO 0.77 0.53 0.47 1.05 -3.11 0.00 0.00 179.97 179.68 1mw4 h GLU 27 N 0.83 1.20 0.00 0.20 -0.00 -2.01 -2.17 114.58 112.63 1mw4 h GLU 27 Ca 0.27 -0.14 -0.17 0.00 -0.00 0.00 0.00 59.36 59.32 1mw4 h GLU 27 Cb 0.02 -0.24 -0.02 0.00 -0.00 0.00 0.00 28.75 28.51 1mw4 h GLU 27 CO -0.11 0.88 -0.84 1.49 -0.00 0.00 0.00 179.01 180.43 1mw4 h GLU 28 N 1.21 0.00 -0.22 1.06 4.22 -1.74 -3.32 114.58 115.79 1mw4 h GLU 28 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1mw4 h GLU 28 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1mw4 h GLU 28 CO -0.05 0.78 0.13 0.77 -2.18 0.00 0.00 179.01 178.46 1mw4 h SER 29 N 0.00 0.23 0.24 1.04 0.02 0.21 -1.35 113.55 113.93 1mw4 h SER 29 Ca -0.02 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1mw4 h SER 29 Cb 1.63 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.11 1mw4 h SER 29 CO 0.10 0.17 0.00 0.06 -1.14 0.00 0.00 176.83 176.02 1mw4 h GLN 30 N 0.28 0.00 -0.06 3.45 3.07 -1.54 0.88 115.11 121.19 1mw4 h GLN 30 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.72 1mw4 h GLN 30 Cb -0.02 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.54 1mw4 h GLN 30 CO -0.03 0.00 -0.35 -0.09 0.09 0.00 0.00 178.83 178.45 1mw4 h ARG 31 N 0.00 0.33 0.00 0.06 9.65 -1.37 -1.26 114.38 121.80 1mw4 h ARG 31 Ca 0.00 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.53 1mw4 h ARG 31 Cb 0.12 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1mw4 h ARG 31 CO 0.00 0.94 -0.45 -0.07 2.80 0.00 0.00 179.97 183.19 1mw4 h LEU 32 N -0.18 0.00 0.00 3.80 4.07 -1.32 -3.35 115.31 118.33 1mw4 h LEU 32 Ca -0.03 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.45 1mw4 h LEU 32 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1mw4 h LEU 32 CO 0.07 1.00 0.00 -0.38 -1.08 0.00 0.00 178.44 178.05 1mw4 n ILE 33 N -4.60 0.85 -0.73 1.22 -0.00 0.25 -2.44 119.36 113.91 1mw4 n ILE 33 Ca -0.14 0.21 -0.06 0.00 -0.00 0.00 0.00 62.75 62.76 1mw4 n ILE 33 Cb 0.40 -0.95 0.26 0.00 -0.00 0.00 0.00 39.64 39.35 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 0.08 3.38 0.00 7.39 0.00 -0.47 -3.40 105.19 112.17 1mw4 n GLY 34 Ca 0.05 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.12 1.97 -2.37 1.61 -0.00 -1.02 -4.95 117.38 112.49 1mw4 n GLN 35 Ca 0.36 -0.04 -0.41 0.00 -0.00 0.00 0.00 57.00 56.91 1mw4 n GLN 35 Cb 1.26 -1.18 -0.03 0.00 -0.00 0.00 0.00 30.24 30.28 1mw4 n GLN 35 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1mw4 s GLN 36 N -2.46 4.48 -0.23 2.61 1.11 -1.22 -4.93 119.66 119.02 1mw4 s GLN 36 Ca 0.02 1.87 0.14 0.00 0.01 0.00 0.00 55.36 57.40 1mw4 s GLN 36 Cb 0.10 -3.25 0.82 0.00 -1.01 0.00 0.00 33.01 29.67 1mw4 s GLN 36 CO 0.55 -0.11 1.75 0.41 0.01 0.00 0.00 175.29 177.90 1mw4 n GLY 37 N 2.29 2.98 3.92 3.09 0.00 -1.26 -4.95 105.19 111.26 1mw4 n GLY 37 Ca 0.05 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.74 2.64 0.96 0.99 2.01 -1.26 -4.94 118.68 116.34 1mw4 s LEU 38 Ca 0.55 0.46 -0.16 0.00 0.01 0.00 0.00 54.13 54.99 1mw4 s LEU 38 Cb 0.42 -2.70 0.20 0.00 0.01 0.00 0.00 46.19 44.12 1mw4 s LEU 38 CO 0.16 -2.38 1.32 0.68 1.01 0.00 0.00 176.35 177.14 1mw4 s VAL 39 N -3.75 2.00 -0.12 -1.59 -7.23 -1.26 -3.45 120.40 105.00 1mw4 s VAL 39 Ca 0.69 -0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.84 1mw4 s VAL 39 Cb -0.07 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.81 1mw4 s VAL 39 CO 0.51 0.00 1.44 0.47 -0.31 0.00 0.00 175.10 177.21 1mw4 n ASP 40 N -3.77 1.76 0.00 4.85 9.92 -1.14 -2.89 116.55 125.28 1mw4 n ASP 40 Ca 0.15 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.54 1mw4 n ASP 40 Cb 0.59 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 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 3.11 0.75 3.34 0.44 0.00 -1.19 -4.46 105.19 107.18 1mw4 n GLY 41 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.62 6.16 0.24 0.99 2.01 -1.14 -1.40 118.68 124.93 1mw4 s LEU 42 Ca 0.00 -2.09 0.10 0.00 0.01 0.00 0.00 54.13 52.15 1mw4 s LEU 42 Cb 0.00 -2.24 -0.05 0.00 0.01 0.00 0.00 46.19 43.91 1mw4 s LEU 42 CO 0.00 -0.82 -0.18 0.72 1.01 0.00 0.00 176.35 177.08 1mw4 s PHE 43 N 1.35 2.05 0.00 0.29 -0.71 -1.20 -0.33 117.98 119.43 1mw4 s PHE 43 Ca 0.13 -0.43 -0.01 0.00 -1.04 0.00 0.00 56.93 55.58 1mw4 s PHE 43 Cb -0.19 -0.92 -0.01 0.00 -1.21 0.00 0.00 43.02 40.69 1mw4 s PHE 43 CO -0.02 0.55 0.01 -1.17 -1.34 0.00 0.00 175.22 173.25 1mw4 s LEU 44 N -3.35 2.03 -0.78 -1.99 2.96 0.14 -3.77 118.68 113.92 1mw4 s LEU 44 Ca 0.26 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.85 1mw4 s LEU 44 Cb -0.04 0.10 0.20 0.00 0.50 0.00 0.00 46.19 46.96 1mw4 s LEU 44 CO 0.11 -0.13 0.73 -0.69 -1.32 0.00 0.00 176.35 175.05 1mw4 s VAL 45 N -0.60 5.52 0.38 1.68 1.01 -1.04 0.20 120.40 127.55 1mw4 s VAL 45 Ca -0.07 -2.28 0.04 0.00 0.00 0.00 0.00 61.98 59.68 1mw4 s VAL 45 Cb -0.04 -4.45 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 1mw4 s VAL 45 CO -0.00 -1.01 0.05 0.00 0.00 0.00 0.00 175.10 174.13 1mw4 s ARG 46 N 0.48 1.84 0.00 2.72 1.04 -0.80 -2.88 118.95 121.35 1mw4 s ARG 46 Ca 0.16 -2.07 0.00 0.00 -1.04 0.00 0.00 55.73 52.78 1mw4 s ARG 46 Cb -0.14 -1.13 0.00 0.00 -2.04 0.00 0.00 34.95 31.64 1mw4 s ARG 46 CO -0.07 -0.21 0.00 -0.85 -0.04 0.00 0.00 175.30 174.13 1mw4 n GLU 47 N -0.87 0.00 -3.98 3.89 0.28 0.48 -1.41 120.64 119.03 1mw4 n GLU 47 Ca -0.06 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.80 1mw4 n GLU 47 Cb 0.67 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.39 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 1.11 0.32 -0.08 -1.84 1.04 -1.20 -3.61 113.70 109.45 1mw4 s SER 48 Ca 0.00 -0.04 0.18 0.00 0.48 0.00 0.00 55.95 56.58 1mw4 s SER 48 Cb 0.00 -0.09 0.66 0.00 0.10 0.00 0.00 66.02 66.69 1mw4 s SER 48 CO 0.00 -0.01 1.56 0.00 0.98 0.00 0.00 173.24 175.76 1mw4 n GLN 49 N 3.40 3.30 -0.07 4.02 -0.00 -1.26 -3.89 117.38 122.89 1mw4 n GLN 49 Ca -0.18 -2.63 -0.08 0.00 -0.00 0.00 0.00 57.00 54.12 1mw4 n GLN 49 Cb 0.56 -1.77 -0.08 0.00 -0.00 0.00 0.00 30.24 28.95 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 1.19 1.29 -2.73 2.61 3.00 -1.26 -4.95 116.66 115.81 1mw4 n ARG 50 Ca 0.24 0.04 -0.42 0.00 -0.00 0.00 0.00 57.85 57.70 1mw4 n ARG 50 Cb 0.77 -1.30 -0.03 0.00 0.00 0.00 0.00 32.46 31.90 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 -4.91 7.10 0.40 6.15 0.02 -1.26 -4.89 114.94 117.55 1mw4 s ASN 51 Ca -0.12 1.36 0.31 0.00 -1.02 0.00 0.00 52.86 53.38 1mw4 s ASN 51 Cb 0.04 -2.52 1.35 0.00 0.02 0.00 0.00 41.25 40.15 1mw4 s ASN 51 CO 0.41 -0.53 1.38 -2.65 0.02 0.00 0.00 177.10 175.73 1mw4 n PRO 52 N 5.66 -0.03 -3.70 -0.60 -0.02 -1.26 -0.79 135.00 134.26 1mw4 n PRO 52 Ca 0.09 1.09 -0.28 0.00 -2.02 0.00 0.00 63.50 62.38 1mw4 n PRO 52 Cb 0.48 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 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 -4.36 1.43 -3.30 -0.52 6.02 -1.26 -5.05 117.38 110.34 1mw4 n GLN 53 Ca 0.36 -4.12 -0.47 0.00 -0.01 0.00 0.00 57.00 52.76 1mw4 n GLN 53 Cb 1.45 -2.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.60 1mw4 n GLN 53 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1mw4 s GLY 54 N -1.16 2.50 -0.18 1.08 0.00 0.03 -4.62 107.32 104.97 1mw4 s GLY 54 Ca 0.29 -3.13 -0.05 0.00 0.00 0.00 0.00 44.72 41.83 1mw4 s GLY 54 CO -0.16 1.30 0.11 -1.36 0.00 0.00 0.00 173.10 172.98 1mw4 s PHE 55 N 0.61 0.16 0.16 1.90 0.40 -1.26 -3.23 117.98 116.72 1mw4 s PHE 55 Ca 0.16 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1mw4 s PHE 55 Cb -0.14 -0.68 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 1mw4 s PHE 55 CO -0.07 -0.54 -0.06 0.14 0.70 0.00 0.00 175.22 175.39 1mw4 s VAL 56 N 2.15 1.02 -0.11 -0.44 -7.23 -0.50 -3.70 120.40 111.59 1mw4 s VAL 56 Ca 0.03 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1mw4 s VAL 56 Cb -0.16 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1mw4 s VAL 56 CO -0.11 -0.64 -0.18 -0.22 -0.31 0.00 0.00 175.10 173.64 1mw4 s LEU 57 N -3.18 1.85 -0.19 1.32 0.20 -0.82 -1.91 118.68 115.95 1mw4 s LEU 57 Ca 0.20 -0.48 -0.11 0.00 0.69 0.00 0.00 54.13 54.43 1mw4 s LEU 57 Cb 0.04 -1.19 -0.05 0.00 -0.43 0.00 0.00 46.19 44.56 1mw4 s LEU 57 CO 0.02 0.05 0.19 -0.44 -0.29 0.00 0.00 176.35 175.87 1mw4 s SER 58 N 0.87 6.29 0.27 3.68 0.01 0.55 0.14 113.70 125.51 1mw4 s SER 58 Ca -0.08 0.33 0.07 0.00 1.31 0.00 0.00 55.95 57.57 1mw4 s SER 58 Cb -0.15 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1mw4 s SER 58 CO -0.00 0.15 0.22 -0.76 0.41 0.00 0.00 173.24 173.26 1mw4 s LEU 59 N 0.39 3.75 -0.38 2.44 2.01 -0.10 0.27 118.68 127.06 1mw4 s LEU 59 Ca 0.11 -0.32 0.02 0.00 0.01 0.00 0.00 54.13 53.95 1mw4 s LEU 59 Cb -0.12 -2.31 0.16 0.00 0.01 0.00 0.00 46.19 43.93 1mw4 s LEU 59 CO 0.00 -0.12 0.29 0.00 1.01 0.00 0.00 176.35 177.53 1mw4 s HIS 61 N 0.56 3.24 -0.47 0.00 5.04 0.46 -2.88 115.29 121.23 1mw4 s HIS 61 Ca 0.26 0.49 -0.01 0.00 -1.54 0.00 0.00 55.06 54.25 1mw4 s HIS 61 Cb -0.08 -2.58 0.33 0.00 0.04 0.00 0.00 32.58 30.29 1mw4 s HIS 61 CO -0.10 -0.65 2.01 1.47 -2.34 0.00 0.00 174.74 175.13 1mw4 n LEU 62 N -2.39 6.96 0.00 8.88 -0.00 -1.22 -3.24 117.00 125.98 1mw4 n LEU 62 Ca 0.03 -3.70 0.00 0.00 -0.00 0.00 0.00 56.01 52.34 1mw4 n LEU 62 Cb 0.58 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1mw4 n LEU 62 CO 0.51 1.31 0.00 0.00 -0.00 0.00 0.00 177.39 179.21 1mw4 n GLN 63 N -0.25 0.00 -3.62 1.47 6.02 -1.26 -5.06 117.38 114.68 1mw4 n GLN 63 Ca 0.45 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.33 1mw4 n GLN 63 Cb 0.66 -0.20 -0.01 0.00 1.02 0.00 0.00 30.24 31.71 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 -0.91 0.77 -3.77 -1.09 2.85 -1.20 -5.17 118.16 109.65 1mw4 n LYS 64 Ca 0.00 -2.30 -0.15 0.00 -1.05 0.00 0.00 58.31 54.81 1mw4 n LYS 64 Cb 0.00 2.43 -0.16 0.00 -0.65 0.00 0.00 35.03 36.65 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 -2.56 -0.06 0.03 0.58 -7.23 -1.26 -0.41 120.40 109.49 1mw4 s VAL 65 Ca 0.21 0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.60 1mw4 s VAL 65 Cb -0.02 -0.10 -0.00 0.00 0.56 0.00 0.00 36.38 36.82 1mw4 s VAL 65 CO 0.16 0.09 0.02 2.29 -0.31 0.00 0.00 175.10 177.35 1mw4 n LYS 66 N 4.18 0.03 -4.01 4.82 2.85 -1.14 -4.79 118.16 120.10 1mw4 n LYS 66 Ca -0.28 -0.28 -0.14 0.00 -1.05 0.00 0.00 58.31 56.57 1mw4 n LYS 66 Cb 0.50 0.23 -0.14 0.00 -0.65 0.00 0.00 35.03 34.97 1mw4 n LYS 66 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1mw4 s HIS 67 N -2.21 0.25 -0.90 5.58 3.76 -1.26 -0.92 115.29 119.59 1mw4 s HIS 67 Ca 0.03 -0.09 -0.04 0.00 -0.15 0.00 0.00 55.06 54.81 1mw4 s HIS 67 Cb 0.00 -0.16 0.22 0.00 1.11 0.00 0.00 32.58 33.76 1mw4 s HIS 67 CO 0.02 -0.02 0.80 0.71 -0.85 0.00 0.00 174.74 175.41 1mw4 s TYR 68 N -0.20 3.91 -0.16 1.40 1.51 0.38 -4.83 117.35 119.36 1mw4 s TYR 68 Ca -0.01 -2.87 -0.05 0.00 -1.01 0.00 0.00 57.07 53.14 1mw4 s TYR 68 Cb -0.02 -3.39 0.06 0.00 -0.11 0.00 0.00 41.96 38.51 1mw4 s TYR 68 CO -0.00 -0.80 0.11 -1.17 -1.11 0.00 0.00 175.55 172.57 1mw4 s LEU 69 N -1.10 0.24 0.00 -1.29 1.98 -1.24 -1.95 118.68 115.32 1mw4 s LEU 69 Ca 0.26 -0.46 0.00 0.00 -2.89 0.00 0.00 54.13 51.05 1mw4 s LEU 69 Cb -0.09 -0.12 0.00 0.00 0.66 0.00 0.00 46.19 46.64 1mw4 s LEU 69 CO -0.10 -0.33 0.00 -0.38 -1.89 0.00 0.00 176.35 173.64 1mw4 n ILE 70 N 5.29 0.00 -3.58 6.68 5.41 -1.25 -4.85 119.36 127.06 1mw4 n ILE 70 Ca -0.06 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.43 1mw4 n ILE 70 Cb 0.49 -0.04 -0.16 0.00 -0.71 0.00 0.00 39.64 39.22 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 -3.23 0.30 0.00 1.39 1.02 -1.19 -4.87 118.68 112.10 1mw4 s LEU 71 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.50 1mw4 s LEU 71 Cb 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 46.19 46.04 1mw4 s LEU 71 CO 0.00 -0.36 0.00 -0.81 0.02 0.00 0.00 176.35 175.20 1mw4 n PRO 72 N 5.28 1.15 -1.62 1.29 -0.04 -1.26 0.17 135.00 139.97 1mw4 n PRO 72 Ca -0.07 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.84 1mw4 n PRO 72 Cb 0.48 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.87 1mw4 n PRO 72 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mw4 n SER 73 N -0.25 2.33 -3.61 3.54 3.41 -1.16 -3.06 113.62 114.81 1mw4 n SER 73 Ca 0.00 0.89 -0.20 0.00 -0.26 0.00 0.00 58.87 59.30 1mw4 n SER 73 Cb 0.00 -1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 62.73 1mw4 n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mw4 n GLU 74 N 6.30 1.18 -1.10 4.33 1.02 -1.12 -4.95 120.64 126.30 1mw4 n GLU 74 Ca 0.31 -2.31 -0.23 0.00 -0.02 0.00 0.00 57.16 54.91 1mw4 n GLU 74 Cb 0.16 0.68 0.14 0.00 -0.02 0.00 0.00 31.44 32.39 1mw4 n GLU 74 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1mw4 n GLU 75 N -0.77 2.17 0.00 3.49 -0.58 -1.26 -3.37 120.64 120.31 1mw4 n GLU 75 Ca -0.12 -2.66 0.00 0.00 -0.42 0.00 0.00 57.16 53.96 1mw4 n GLU 75 Cb 0.40 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 1mw4 n GLU 75 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1mw4 n GLU 76 N -0.86 -0.08 0.00 3.49 4.07 -1.26 -5.12 120.64 120.88 1mw4 n GLU 76 Ca 0.53 -0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1mw4 n GLU 76 Cb 1.33 -0.54 0.00 0.00 -0.06 0.00 0.00 31.44 32.17 1mw4 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mw4 n GLY 77 N 0.01 -0.71 0.00 8.31 0.00 -1.22 -5.15 105.19 106.43 1mw4 n GLY 77 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mw4 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mw4 n ARG 78 N 0.00 1.07 -1.96 1.61 5.12 -1.24 -4.02 116.66 117.24 1mw4 n ARG 78 Ca 0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 1mw4 n ARG 78 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1mw4 n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mw4 s LEU 79 N 0.00 3.33 -0.14 0.55 1.43 -0.91 -2.78 118.68 120.16 1mw4 s LEU 79 Ca 0.00 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 1mw4 s LEU 79 Cb 0.00 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1mw4 s LEU 79 CO 0.00 -2.37 1.71 -0.31 0.23 0.00 0.00 176.35 175.60 1mw4 s TYR 80 N 9.29 1.92 -0.08 0.29 1.51 0.44 -1.06 117.35 129.66 1mw4 s TYR 80 Ca 0.73 0.34 0.04 0.00 -1.01 0.00 0.00 57.07 57.17 1mw4 s TYR 80 Cb -0.14 -3.97 0.00 0.00 -0.11 0.00 0.00 41.96 37.74 1mw4 s TYR 80 CO 0.23 -3.56 -0.19 -0.06 -1.11 0.00 0.00 175.55 170.86 1mw4 s PHE 81 N 5.00 2.05 0.00 2.71 0.40 -1.26 -3.20 117.98 123.69 1mw4 s PHE 81 Ca 0.76 -0.77 0.07 0.00 -0.60 0.00 0.00 56.93 56.39 1mw4 s PHE 81 Cb -0.30 -1.40 0.11 0.00 0.51 0.00 0.00 43.02 41.94 1mw4 s PHE 81 CO 0.31 -0.32 0.92 -1.13 0.70 0.00 0.00 175.22 175.70 1mw4 n SER 82 N 3.52 0.04 -2.21 1.36 3.41 -1.17 -2.08 113.62 116.49 1mw4 n SER 82 Ca -0.20 -1.76 -0.21 0.00 -0.26 0.00 0.00 58.87 56.43 1mw4 n SER 82 Cb 0.52 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1mw4 n SER 82 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1mw4 n MET 83 N 0.13 0.00 -0.20 4.33 2.81 -0.07 -4.43 117.12 119.69 1mw4 n MET 83 Ca -0.05 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.89 1mw4 n MET 83 Cb 0.77 -0.55 0.10 0.00 -0.71 0.00 0.00 33.22 32.83 1mw4 n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mw4 n ASP 84 N 1.93 -0.16 -1.27 7.83 2.03 -1.26 -1.43 116.55 124.22 1mw4 n ASP 84 Ca -0.01 0.95 0.03 0.00 0.52 0.00 0.00 54.79 56.28 1mw4 n ASP 84 Cb 0.41 -0.30 0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1mw4 n ASP 84 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1mw4 n ASP 85 N -4.84 0.76 -4.25 1.67 -0.08 -1.26 -5.09 116.55 103.45 1mw4 n ASP 85 Ca 0.10 -2.00 -0.26 0.00 -1.51 0.00 0.00 54.79 51.13 1mw4 n ASP 85 Cb 0.32 -0.27 -0.14 0.00 2.34 0.00 0.00 41.12 43.36 1mw4 n ASP 85 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mw4 s GLY 86 N -1.76 1.12 -0.40 0.27 0.00 -0.51 -4.97 107.32 101.06 1mw4 s GLY 86 Ca 0.26 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.98 1mw4 s GLY 86 CO -0.13 -0.98 0.42 0.61 0.00 0.00 0.00 173.10 173.01 1mw4 n GLN 87 N 1.86 0.39 -0.47 2.90 10.64 -1.26 -0.89 117.38 130.55 1mw4 n GLN 87 Ca -0.17 -3.17 0.08 0.00 -1.83 0.00 0.00 57.00 51.91 1mw4 n GLN 87 Cb 0.53 -1.49 0.28 0.00 -0.86 0.00 0.00 30.24 28.70 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 2.29 1.84 -0.44 -0.39 -2.24 -0.88 -4.91 114.28 109.54 1mw4 n THR 88 Ca 0.26 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 1mw4 n THR 88 Cb 0.50 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1mw4 n THR 88 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1mw4 n ARG 89 N 0.41 0.00 -3.20 -0.78 1.85 -1.05 -4.47 116.66 109.42 1mw4 n ARG 89 Ca 0.21 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.95 1mw4 n ARG 89 Cb 0.80 -0.93 -0.04 0.00 -1.05 0.00 0.00 32.46 31.24 1mw4 n ARG 89 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1mw4 n PHE 90 N 2.33 -0.57 -2.52 2.89 1.16 -0.22 -3.72 117.46 116.81 1mw4 n PHE 90 Ca 0.00 -1.54 -0.41 0.00 -1.87 0.00 0.00 57.45 53.63 1mw4 n PHE 90 Cb 0.00 0.20 -0.01 0.00 -1.61 0.00 0.00 39.48 38.05 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 -2.74 4.00 0.43 1.97 2.01 -1.26 -2.14 115.64 117.91 1mw4 s THR 91 Ca 0.21 -1.51 0.19 0.00 0.31 0.00 0.00 61.69 60.90 1mw4 s THR 91 Cb 0.01 -5.08 0.39 0.00 0.01 0.00 0.00 72.50 67.83 1mw4 s THR 91 CO 0.15 -1.89 1.86 0.44 -0.69 0.00 0.00 174.62 174.49 1mw4 h ASP 92 N 8.40 0.36 0.00 3.53 3.32 -1.88 -3.21 116.42 126.93 1mw4 h ASP 92 Ca 0.36 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1mw4 h ASP 92 Cb 0.91 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1mw4 h ASP 92 CO 1.43 0.14 0.00 -0.11 -1.72 0.00 0.00 179.24 178.97 1mw4 n LEU 93 N -4.49 0.00 -0.34 1.55 0.00 -1.26 0.16 117.00 112.63 1mw4 n LEU 93 Ca 0.19 0.54 0.16 0.00 0.00 0.00 0.00 56.01 56.91 1mw4 n LEU 93 Cb 0.74 -0.05 0.36 0.00 0.00 0.00 0.00 43.42 44.46 1mw4 n LEU 93 CO 0.31 -0.05 1.14 0.25 0.00 0.00 0.00 177.39 179.04 1mw4 h LEU 94 N 0.00 0.61 0.32 -1.96 7.12 -1.99 -1.40 115.31 118.01 1mw4 h LEU 94 Ca 0.00 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 1mw4 h LEU 94 Cb 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1mw4 h LEU 94 CO 0.00 0.10 -0.16 1.56 -0.13 0.00 0.00 178.44 179.82 1mw4 h GLN 95 N 0.57 -0.42 -1.09 1.25 1.08 -1.16 -2.59 115.11 112.74 1mw4 h GLN 95 Ca 0.62 0.03 0.30 0.00 -1.45 0.00 0.00 58.65 58.14 1mw4 h GLN 95 Cb 1.14 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 28.57 1mw4 h GLN 95 CO -0.47 -0.28 0.70 1.25 -0.95 0.00 0.00 178.83 179.08 1mw4 h LEU 96 N -0.44 0.40 0.00 1.46 6.46 0.27 0.67 115.31 124.13 1mw4 h LEU 96 Ca -0.04 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1mw4 h LEU 96 Cb 0.34 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1mw4 h LEU 96 CO 0.07 0.03 0.00 0.52 -0.62 0.00 0.00 178.44 178.44 1mw4 n VAL 97 N -4.63 0.00 -0.02 1.05 0.31 -0.98 -1.53 118.33 112.52 1mw4 n VAL 97 Ca 0.28 1.38 -0.13 0.00 -0.01 0.00 0.00 64.34 65.86 1mw4 n VAL 97 Cb 0.99 -2.38 -0.09 0.00 -0.91 0.00 0.00 33.84 31.46 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 0.08 0.00 5.55 4.81 -1.39 -2.97 114.58 120.65 1mw4 h GLU 98 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1mw4 h GLU 98 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1mw4 h GLU 98 CO 0.00 0.44 0.00 1.19 -0.73 0.00 0.00 179.01 179.91 1mw4 n PHE 99 N -4.85 0.11 -0.40 0.92 3.01 0.23 -3.11 117.46 113.38 1mw4 n PHE 99 Ca -0.07 0.05 0.32 0.00 1.01 0.00 0.00 57.45 58.76 1mw4 n PHE 99 Cb 0.22 -0.58 0.60 0.00 -0.01 0.00 0.00 39.48 39.70 1mw4 n PHE 99 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1mw4 h HIS 100 N 0.00 0.63 0.25 1.38 2.07 -1.11 0.91 115.15 119.29 1mw4 h HIS 100 Ca 0.00 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1mw4 h HIS 100 Cb 0.11 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 29.93 1mw4 h HIS 100 CO 0.00 -0.19 -0.12 -0.56 -3.07 0.00 0.00 177.93 173.99 1mw4 h GLN 101 N 0.16 -0.32 -2.09 5.12 3.07 -1.79 -3.15 115.11 116.11 1mw4 h GLN 101 Ca 0.78 0.02 -0.57 0.00 0.09 0.00 0.00 58.65 58.97 1mw4 h GLN 101 Cb 2.26 0.07 -0.40 0.00 0.08 0.00 0.00 27.48 29.50 1mw4 h GLN 101 CO -0.46 0.04 -0.97 1.28 0.09 0.00 0.00 178.83 178.81 1mw4 n LEU 102 N -5.05 1.05 0.00 0.06 7.99 0.54 -4.61 117.00 116.98 1mw4 n LEU 102 Ca -0.09 -4.86 -0.19 0.00 -0.01 0.00 0.00 56.01 50.86 1mw4 n LEU 102 Cb 0.26 0.30 0.07 0.00 -0.11 0.00 0.00 43.42 43.94 1mw4 n LEU 102 CO 0.29 2.05 0.38 -0.46 -1.51 0.00 0.00 177.39 178.13 1mw4 n ASN 103 N 1.37 2.01 -4.01 -1.43 0.23 0.29 -4.85 115.26 108.85 1mw4 n ASN 103 Ca 0.24 -2.48 -0.43 0.00 -0.53 0.00 0.00 54.58 51.38 1mw4 n ASN 103 Cb 0.50 -0.44 0.01 0.00 -2.08 0.00 0.00 39.78 37.77 1mw4 n ASN 103 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1mw4 n ARG 104 N -2.29 4.32 0.00 -3.83 3.00 -1.25 -4.34 116.66 112.27 1mw4 n ARG 104 Ca 0.16 -4.42 0.00 0.00 -0.01 0.00 0.00 57.85 53.58 1mw4 n ARG 104 Cb 0.59 -2.57 0.00 0.00 0.00 0.00 0.00 32.46 30.48 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 1.60 -0.43 3.75 -0.13 0.00 -1.15 -4.93 105.19 103.90 1mw4 n GLY 105 Ca 0.28 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 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 2.37 0.58 -0.61 2.07 -1.26 -5.05 121.20 119.30 1mw4 s ILE 106 Ca 0.00 -1.66 -0.10 0.00 -1.41 0.00 0.00 60.65 57.48 1mw4 s ILE 106 Cb 0.00 -3.00 -0.09 0.00 0.13 0.00 0.00 42.46 39.51 1mw4 s ILE 106 CO 0.00 -0.01 -0.48 0.18 -1.91 0.00 0.00 174.94 172.72 1mw4 n LEU 107 N -1.27 -3.48 -2.08 8.50 4.77 -1.26 -4.11 117.00 118.07 1mw4 n LEU 107 Ca -0.01 0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1mw4 n LEU 107 Cb 0.64 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1mw4 n LEU 107 CO 0.45 -3.48 0.69 -2.65 -1.33 0.00 0.00 177.39 171.08 1mw4 n PRO 108 N 1.46 0.00 0.00 3.23 -0.02 -1.26 -4.28 135.00 134.13 1mw4 n PRO 108 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1mw4 n PRO 108 Cb 0.33 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 1mw4 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mw4 n LEU 110 N -0.71 0.00 0.00 0.00 7.99 -1.26 -5.07 117.00 117.96 1mw4 n LEU 110 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1mw4 n LEU 110 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1mw4 n LEU 110 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 1mw4 n LEU 111 N 0.00 0.00 -4.91 2.23 -0.00 -1.26 -4.32 117.00 108.74 1mw4 n LEU 111 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1mw4 n LEU 111 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1mw4 n LEU 111 CO 0.00 0.00 -0.07 -0.13 -0.00 0.00 0.00 177.39 177.19 1mw4 s ARG 112 N 0.00 3.52 0.22 1.47 0.52 -1.26 -2.79 118.95 120.63 1mw4 s ARG 112 Ca 0.00 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 54.82 1mw4 s ARG 112 Cb 0.00 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1mw4 s ARG 112 CO 0.00 0.56 0.40 -3.38 0.02 0.00 0.00 175.30 172.90 1mw4 s HIS 113 N -1.55 0.40 0.00 -0.53 -3.43 -1.19 -3.66 115.29 105.33 1mw4 s HIS 113 Ca 0.37 -0.75 0.00 0.00 -0.80 0.00 0.00 55.06 53.88 1mw4 s HIS 113 Cb -0.13 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 1mw4 s HIS 113 CO 0.26 -0.89 0.00 0.00 -2.00 0.00 0.00 174.74 172.11 1mw4 s THR 116 N -2.01 3.20 -0.66 0.00 2.01 -1.25 -3.28 115.64 113.65 1mw4 s THR 116 Ca 0.00 -1.84 0.06 0.00 0.31 0.00 0.00 61.69 60.22 1mw4 s THR 116 Cb 0.00 -2.90 0.22 0.00 0.01 0.00 0.00 72.50 69.84 1mw4 s THR 116 CO 0.00 -0.28 0.67 -1.14 -0.69 0.00 0.00 174.62 173.18 1mw4 n ARG 117 N -1.00 2.31 0.01 4.92 3.00 -1.26 -4.83 116.66 119.81 1mw4 n ARG 117 Ca -0.05 -4.62 0.00 0.00 -0.00 0.00 0.00 57.85 53.18 1mw4 n ARG 117 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.79 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 1.21 0.00 0.00 5.15 0.24 -1.26 -4.95 118.33 118.73 1mw4 n VAL 118 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 1mw4 n VAL 118 Cb 0.39 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1mw4 n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mw4 n ALA 119 N -2.55 0.00 0.87 2.33 0.00 -1.26 -5.19 120.51 114.71 1mw4 n ALA 119 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1mw4 n ALA 119 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1mw4 n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78