#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmh s ILE 15 N 0.00 2.25 -0.38 -1.33 1.01 -1.26 -0.50 121.20 120.99 1wmh s ILE 15 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 1wmh s ILE 15 Cb 0.00 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.67 1wmh s ILE 15 CO 0.00 0.58 0.26 -0.69 0.00 0.00 0.00 174.94 175.09 1wmh s VAL 16 N -0.51 5.15 -0.27 2.92 1.01 0.11 -4.78 120.40 124.02 1wmh s VAL 16 Ca 0.07 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1wmh s VAL 16 Cb -0.11 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1wmh s VAL 16 CO 0.00 -0.18 0.42 -0.70 0.00 0.00 0.00 175.10 174.64 1wmh s GLU 17 N 1.68 4.03 -0.06 2.72 2.12 -1.26 -1.94 118.70 125.98 1wmh s GLU 17 Ca 0.05 0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.55 1wmh s GLU 17 Cb -0.18 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 1wmh s GLU 17 CO 0.10 -0.30 -0.19 0.08 -0.54 0.00 0.00 175.26 174.40 1wmh s VAL 18 N 2.14 2.61 -0.24 3.70 1.01 0.10 -0.10 120.40 129.63 1wmh s VAL 18 Ca 0.17 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1wmh s VAL 18 Cb -0.16 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.29 1wmh s VAL 18 CO 0.10 0.57 -0.02 -0.75 0.00 0.00 0.00 175.10 175.00 1wmh s LYS 19 N -0.37 1.34 -0.11 2.72 2.20 -0.50 -1.93 119.74 123.09 1wmh s LYS 19 Ca 0.03 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 1wmh s LYS 19 Cb -0.12 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.71 1wmh s LYS 19 CO 0.02 -0.65 -0.11 0.45 -0.36 0.00 0.00 175.35 174.70 1wmh s SER 20 N 1.49 4.25 -0.19 1.43 0.15 0.12 -1.24 113.70 119.71 1wmh s SER 20 Ca -0.03 -0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.34 1wmh s SER 20 Cb -0.18 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 62.66 1wmh s SER 20 CO -0.08 0.23 0.01 -0.75 1.20 0.00 0.00 173.24 173.85 1wmh s LYS 21 N -0.01 3.69 -0.25 5.44 2.20 -0.17 -0.77 119.74 129.87 1wmh s LYS 21 Ca -0.02 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1wmh s LYS 21 Cb -0.14 -3.10 0.06 0.00 -1.51 0.00 0.00 37.83 33.15 1wmh s LYS 21 CO 0.04 0.07 -0.04 0.12 -0.36 0.00 0.00 175.35 175.18 1wmh s PHE 22 N 0.85 2.44 0.00 4.03 5.36 -0.30 -0.32 117.98 130.03 1wmh s PHE 22 Ca 0.01 -1.83 0.00 0.00 -0.96 0.00 0.00 56.93 54.15 1wmh s PHE 22 Cb -0.14 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1wmh s PHE 22 CO 0.02 -0.79 0.00 -0.25 -1.46 0.00 0.00 175.22 172.74 1wmh n ASP 23 N 4.66 0.00 -0.14 6.13 10.43 -1.23 -1.34 116.55 135.06 1wmh n ASP 23 Ca -0.10 0.00 0.07 0.00 2.57 0.00 0.00 54.79 57.33 1wmh n ASP 23 Cb 0.44 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.35 1wmh n ASP 23 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wmh n ALA 24 N 9.33 3.62 -2.80 2.24 0.00 -1.26 -5.01 120.51 126.63 1wmh n ALA 24 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 53.44 52.75 1wmh n ALA 24 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 1wmh n ALA 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wmh s GLU 25 N -2.18 3.47 0.02 0.00 -1.05 -0.45 -5.11 118.70 113.40 1wmh s GLU 25 Ca 0.09 -0.51 0.06 0.00 -0.15 0.00 0.00 54.97 54.46 1wmh s GLU 25 Cb 0.12 -2.78 -0.02 0.00 -0.44 0.00 0.00 34.13 31.01 1wmh s GLU 25 CO 0.52 0.29 -0.19 -0.06 0.95 0.00 0.00 175.26 176.77 1wmh s PHE 26 N -2.13 1.66 -0.01 4.83 0.40 -1.26 -1.15 117.98 120.32 1wmh s PHE 26 Ca 0.37 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1wmh s PHE 26 Cb -0.09 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.42 1wmh s PHE 26 CO 0.32 0.03 -0.02 1.03 0.70 0.00 0.00 175.22 177.29 1wmh s ARG 27 N -0.85 0.24 -0.05 0.44 0.52 0.05 -4.98 118.95 114.33 1wmh s ARG 27 Ca 0.07 -0.03 0.06 0.00 -0.52 0.00 0.00 55.73 55.30 1wmh s ARG 27 Cb -0.08 -0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 1wmh s ARG 27 CO 0.01 -0.01 -0.23 1.03 0.02 0.00 0.00 175.30 176.11 1wmh s ARG 28 N 0.33 2.42 0.25 3.54 0.52 -1.26 -0.70 118.95 124.06 1wmh s ARG 28 Ca -0.03 -0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 54.12 1wmh s ARG 28 Cb -0.06 -2.18 0.02 0.00 0.52 0.00 0.00 34.95 33.26 1wmh s ARG 28 CO -0.01 0.48 0.63 -0.59 0.02 0.00 0.00 175.30 175.83 1wmh s PHE 29 N -0.39 -0.08 0.08 -0.53 -0.12 -0.81 -5.03 117.98 111.10 1wmh s PHE 29 Ca 0.03 -0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1wmh s PHE 29 Cb -0.12 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1wmh s PHE 29 CO 0.02 -1.12 0.02 0.00 -0.05 0.00 0.00 175.22 174.09 1wmh s ALA 30 N -3.93 0.50 0.01 1.99 0.00 -1.26 -0.72 121.76 118.36 1wmh s ALA 30 Ca 0.13 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 1wmh s ALA 30 Cb -0.04 0.46 0.07 0.00 0.00 0.00 0.00 23.12 23.61 1wmh s ALA 30 CO 0.05 -0.42 0.66 -0.48 0.00 0.00 0.00 175.76 175.56 1wmh s LEU 31 N -2.95 -0.63 0.32 0.00 2.34 -0.82 -4.98 118.68 111.97 1wmh s LEU 31 Ca 0.11 0.51 -0.29 0.00 0.06 0.00 0.00 54.13 54.53 1wmh s LEU 31 Cb 0.07 2.56 -0.11 0.00 -0.56 0.00 0.00 46.19 48.15 1wmh s LEU 31 CO -0.07 -0.71 1.49 -2.84 -1.06 0.00 0.00 176.35 173.15 1wmh s PRO 32 N -1.92 4.18 0.32 1.48 0.02 -1.26 0.04 135.00 137.86 1wmh s PRO 32 Ca -0.08 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.43 1wmh s PRO 32 Cb -0.00 -3.03 0.56 0.00 0.02 0.00 0.00 34.50 32.05 1wmh s PRO 32 CO 0.03 -0.49 1.96 -0.09 -0.33 0.00 0.00 177.00 178.08 1wmh h ARG 33 N 4.00 0.95 0.00 5.54 9.65 -1.10 -0.42 114.38 133.01 1wmh h ARG 33 Ca -0.48 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 1wmh h ARG 33 Cb 1.23 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1wmh h ARG 33 CO 0.71 0.63 0.00 0.00 2.80 0.00 0.00 179.97 184.12 1wmh n ALA 34 N -2.42 2.05 0.72 2.80 0.00 -1.26 -2.36 120.51 120.04 1wmh n ALA 34 Ca 0.10 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1wmh n ALA 34 Cb 0.11 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.33 1wmh n ALA 34 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wmh n SER 35 N -1.18 0.64 -4.64 0.00 7.64 -0.17 -4.87 113.62 111.05 1wmh n SER 35 Ca 0.11 -0.30 -0.43 0.00 1.01 0.00 0.00 58.87 59.26 1wmh n SER 35 Cb 0.11 0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 63.95 1wmh n SER 35 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wmh s VAL 36 N -3.13 3.96 -0.11 0.44 1.01 -0.99 -4.89 120.40 116.68 1wmh s VAL 36 Ca 0.06 1.10 0.20 0.00 0.00 0.00 0.00 61.98 63.34 1wmh s VAL 36 Cb 0.15 -3.91 -0.25 0.00 0.00 0.00 0.00 36.38 32.37 1wmh s VAL 36 CO 0.78 -0.32 0.48 -1.54 0.00 0.00 0.00 175.10 174.50 1wmh n SER 37 N 7.73 0.23 0.00 3.32 3.41 -1.26 -5.08 113.62 121.97 1wmh n SER 37 Ca 0.16 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1wmh n SER 37 Cb 0.46 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 1wmh n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmh n GLY 38 N 1.41 -0.09 0.19 5.00 0.00 -1.26 -4.99 105.19 105.45 1wmh n GLY 38 Ca -0.13 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 1wmh n GLY 38 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wmh h PHE 39 N 0.00 0.54 -0.27 1.61 3.57 -1.90 -1.36 116.94 119.13 1wmh h PHE 39 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1wmh h PHE 39 Cb 0.00 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 1wmh h PHE 39 CO 0.00 0.33 0.02 1.96 -2.23 0.00 0.00 178.31 178.40 1wmh h GLN 40 N 0.59 0.11 -0.57 1.11 1.08 -1.94 0.21 115.11 115.69 1wmh h GLN 40 Ca 0.17 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.26 1wmh h GLN 40 Cb -0.04 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1wmh h GLN 40 CO -0.05 0.07 -0.06 0.93 -0.95 0.00 0.00 178.83 178.77 1wmh h GLU 41 N 0.11 1.04 -0.40 1.46 3.07 -1.92 -1.89 114.58 116.06 1wmh h GLU 41 Ca 0.13 -0.36 -0.10 0.00 -0.50 0.00 0.00 59.36 58.53 1wmh h GLU 41 Cb 0.15 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1wmh h GLU 41 CO -0.19 1.05 -0.14 0.35 -1.40 0.00 0.00 179.01 178.68 1wmh h PHE 42 N 0.94 0.92 -0.87 4.33 3.57 -0.90 -1.55 116.94 123.36 1wmh h PHE 42 Ca 0.15 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1wmh h PHE 42 Cb 0.63 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1wmh h PHE 42 CO 0.04 0.95 0.55 1.03 -2.23 0.00 0.00 178.31 178.65 1wmh h SER 43 N 0.62 1.03 -0.66 0.41 0.87 -0.50 -0.88 113.55 114.44 1wmh h SER 43 Ca 0.10 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 1wmh h SER 43 Cb 0.68 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1wmh h SER 43 CO 0.05 0.77 0.19 -0.09 -0.53 0.00 0.00 176.83 177.22 1wmh h ARG 44 N 1.19 1.06 -0.67 2.24 2.43 -1.10 -1.48 114.38 118.05 1wmh h ARG 44 Ca 0.32 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1wmh h ARG 44 Cb -0.09 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 1wmh h ARG 44 CO -0.06 0.92 0.22 1.25 -1.51 0.00 0.00 179.97 180.78 1wmh h LEU 45 N 1.01 0.96 -0.60 3.80 5.85 -0.50 0.35 115.31 126.19 1wmh h LEU 45 Ca 0.22 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1wmh h LEU 45 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1wmh h LEU 45 CO -0.00 0.91 0.31 -0.07 -0.34 0.00 0.00 178.44 179.24 1wmh h LEU 46 N 0.97 0.76 -1.15 2.25 3.38 -0.83 -0.23 115.31 120.45 1wmh h LEU 46 Ca 0.22 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1wmh h LEU 46 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wmh h LEU 46 CO -0.01 0.66 -0.40 0.03 0.09 0.00 0.00 178.44 178.81 1wmh h ARG 47 N 0.81 0.04 -0.17 1.13 3.08 -0.91 -1.19 114.38 117.17 1wmh h ARG 47 Ca 0.21 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1wmh h ARG 47 Cb 0.08 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1wmh h ARG 47 CO -0.03 0.44 -0.04 0.00 -1.07 0.00 0.00 179.97 179.26 1wmh h ALA 48 N 1.56 0.24 -0.62 0.04 0.00 -0.30 0.12 119.26 120.30 1wmh h ALA 48 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1wmh h ALA 48 Cb 0.73 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1wmh h ALA 48 CO 0.05 0.01 0.37 0.28 0.00 0.00 0.00 179.25 179.96 1wmh h VAL 49 N 0.04 1.19 -0.16 0.00 2.07 -0.80 -2.30 116.25 116.30 1wmh h VAL 49 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1wmh h VAL 49 Cb 0.48 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1wmh h VAL 49 CO 0.02 0.20 0.00 1.41 0.02 0.00 0.00 177.57 179.21 1wmh n HIS 50 N -4.59 0.21 -3.71 1.57 -0.00 -0.47 -4.92 115.22 103.31 1wmh n HIS 50 Ca 0.04 -0.11 -0.25 0.00 -0.00 0.00 0.00 57.72 57.41 1wmh n HIS 50 Cb 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.11 1wmh n HIS 50 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1wmh n GLN 51 N -0.01 -6.55 -2.58 -0.41 6.02 -0.73 -4.94 117.38 108.18 1wmh n GLN 51 Ca 0.09 0.72 -0.16 0.00 -0.01 0.00 0.00 57.00 57.64 1wmh n GLN 51 Cb 0.17 -5.65 0.02 0.00 1.02 0.00 0.00 30.24 25.80 1wmh n GLN 51 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1wmh n ILE 52 N -4.70 1.56 -1.83 5.09 -5.35 0.35 -5.04 119.36 109.43 1wmh n ILE 52 Ca -0.05 -3.77 -0.40 0.00 -0.27 0.00 0.00 62.75 58.26 1wmh n ILE 52 Cb 0.57 -0.06 0.01 0.00 -1.74 0.00 0.00 39.64 38.42 1wmh n ILE 52 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1wmh s PRO 53 N -3.33 3.88 0.00 6.28 0.04 -1.24 -2.21 135.00 138.42 1wmh s PRO 53 Ca 0.35 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1wmh s PRO 53 Cb 0.43 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1wmh s PRO 53 CO -0.05 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1wmh n GLY 54 N 0.55 2.08 3.74 0.56 0.00 -1.26 -5.02 105.19 105.83 1wmh n GLY 54 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1wmh n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wmh s LEU 55 N 0.00 4.47 0.03 0.99 2.96 -0.94 -5.02 118.68 121.17 1wmh s LEU 55 Ca 0.00 1.60 -0.30 0.00 -0.22 0.00 0.00 54.13 55.20 1wmh s LEU 55 Cb 0.00 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 1wmh s LEU 55 CO 0.00 -0.03 1.24 -1.81 -1.32 0.00 0.00 176.35 174.43 1wmh s ASP 56 N 0.01 7.02 0.12 3.68 1.01 -1.26 -5.01 116.67 122.24 1wmh s ASP 56 Ca 0.42 2.01 -0.01 0.00 0.71 0.00 0.00 52.55 55.69 1wmh s ASP 56 Cb -0.22 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 1wmh s ASP 56 CO 0.26 -0.54 0.03 0.68 0.21 0.00 0.00 175.17 175.81 1wmh s VAL 57 N 1.50 0.19 -0.11 -1.27 -7.23 -1.26 -4.46 120.40 107.76 1wmh s VAL 57 Ca 0.59 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1wmh s VAL 57 Cb -0.29 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1wmh s VAL 57 CO 0.27 -0.58 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.57 1wmh s LEU 58 N -3.03 2.60 0.12 1.32 1.43 0.85 -4.96 118.68 117.00 1wmh s LEU 58 Ca 0.20 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1wmh s LEU 58 Cb 0.07 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1wmh s LEU 58 CO -0.00 0.20 -0.16 -0.76 0.23 0.00 0.00 176.35 175.86 1wmh s LEU 59 N 0.11 2.79 0.23 1.79 1.43 -1.26 -1.00 118.68 122.77 1wmh s LEU 59 Ca -0.07 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1wmh s LEU 59 Cb -0.15 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1wmh s LEU 59 CO 0.05 0.17 0.44 -0.83 0.23 0.00 0.00 176.35 176.41 1wmh s GLY 60 N -2.22 0.51 0.05 -3.19 0.00 -0.37 -0.86 107.32 101.24 1wmh s GLY 60 Ca 0.19 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 44.02 1wmh s GLY 60 CO 0.11 -0.66 0.05 -2.52 0.00 0.00 0.00 173.10 170.08 1wmh s TYR 61 N -4.00 0.31 -0.25 1.90 -0.85 0.15 -0.62 117.35 113.99 1wmh s TYR 61 Ca 0.21 -0.71 -0.12 0.00 -0.52 0.00 0.00 57.07 55.94 1wmh s TYR 61 Cb 0.00 -0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.07 1wmh s TYR 61 CO 0.07 -0.37 0.21 0.99 -1.52 0.00 0.00 175.55 174.93 1wmh s THR 62 N -3.05 5.31 0.79 -3.49 2.01 -0.64 -0.51 115.64 116.06 1wmh s THR 62 Ca -0.01 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 1wmh s THR 62 Cb 0.02 -3.55 0.18 0.00 0.01 0.00 0.00 72.50 69.15 1wmh s THR 62 CO -0.07 0.29 1.08 -0.90 -0.69 0.00 0.00 174.62 174.33 1wmh n ASP 63 N 4.62 0.25 0.27 3.53 5.68 -0.24 -4.62 116.55 126.04 1wmh n ASP 63 Ca -0.13 -1.49 0.18 0.00 -0.50 0.00 0.00 54.79 52.85 1wmh n ASP 63 Cb 0.52 -0.81 0.98 0.00 -1.14 0.00 0.00 41.12 40.67 1wmh n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wmh h ALA 64 N -1.63 1.01 -0.02 2.12 0.00 -1.88 -0.74 119.26 118.11 1wmh h ALA 64 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1wmh h ALA 64 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wmh h ALA 64 CO 0.26 -0.01 -0.24 0.72 0.00 0.00 0.00 179.25 179.98 1wmh n HIS 65 N -2.77 0.00 -0.52 0.00 8.25 -1.26 -4.94 115.22 113.98 1wmh n HIS 65 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1wmh n HIS 65 Cb 0.07 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1wmh n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wmh n GLY 66 N 1.34 0.75 3.83 -1.41 0.00 -0.28 -5.05 105.19 104.36 1wmh n GLY 66 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1wmh n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wmh s ASP 67 N -2.41 6.93 -0.25 1.61 1.01 -1.26 -4.79 116.67 117.51 1wmh s ASP 67 Ca 0.00 1.26 -0.20 0.00 0.71 0.00 0.00 52.55 54.31 1wmh s ASP 67 Cb 0.00 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 1wmh s ASP 67 CO 0.00 0.04 0.63 -0.22 0.21 0.00 0.00 175.17 175.83 1wmh s LEU 68 N -2.08 4.07 0.06 1.23 2.96 -1.26 -1.08 118.68 122.58 1wmh s LEU 68 Ca 0.42 0.72 0.09 0.00 -0.22 0.00 0.00 54.13 55.15 1wmh s LEU 68 Cb -0.15 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 1wmh s LEU 68 CO 0.20 -0.36 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.84 1wmh s LEU 69 N 2.45 2.19 0.39 -0.68 1.43 0.34 -4.94 118.68 119.86 1wmh s LEU 69 Ca 0.26 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.49 1wmh s LEU 69 Cb -0.16 -1.26 -0.09 0.00 0.03 0.00 0.00 46.19 44.72 1wmh s LEU 69 CO 0.09 0.24 1.21 -2.16 0.23 0.00 0.00 176.35 175.96 1wmh s PRO 70 N -1.37 4.08 -0.36 1.29 0.04 -1.26 -0.68 135.00 136.75 1wmh s PRO 70 Ca 0.12 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1wmh s PRO 70 Cb -0.10 -2.75 0.09 0.00 0.04 0.00 0.00 34.50 31.77 1wmh s PRO 70 CO 0.03 -0.33 0.11 -1.17 0.04 0.00 0.00 177.00 175.68 1wmh s LEU 71 N -2.37 4.69 0.00 -3.56 2.96 -0.04 -4.80 118.68 115.56 1wmh s LEU 71 Ca 0.56 -1.77 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 1wmh s LEU 71 Cb -0.33 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1wmh s LEU 71 CO 0.42 -0.42 0.00 0.35 -1.32 0.00 0.00 176.35 175.39 1wmh n THR 72 N 4.56 0.00 -3.58 3.68 -2.24 -1.26 -4.27 114.28 111.16 1wmh n THR 72 Ca -0.05 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 1wmh n THR 72 Cb 0.42 0.88 0.01 0.00 -2.10 0.00 0.00 70.33 69.54 1wmh n THR 72 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1wmh n ASN 73 N -0.39 -1.25 -0.28 3.42 0.23 -1.26 -5.01 115.26 110.71 1wmh n ASN 73 Ca 0.00 -2.02 -0.04 0.00 -0.53 0.00 0.00 54.58 51.99 1wmh n ASN 73 Cb 0.00 2.13 0.12 0.00 -2.08 0.00 0.00 39.78 39.95 1wmh n ASN 73 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1wmh h ASP 74 N 1.21 1.04 -0.41 0.53 3.32 -1.96 -1.33 116.42 118.81 1wmh h ASP 74 Ca -0.19 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1wmh h ASP 74 Cb 0.75 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1wmh h ASP 74 CO 0.25 0.87 0.14 0.44 -1.72 0.00 0.00 179.24 179.21 1wmh h ASP 75 N 1.15 0.60 0.35 6.45 3.32 -1.99 0.07 116.42 126.37 1wmh h ASP 75 Ca 0.28 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1wmh h ASP 75 Cb 0.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1wmh h ASP 75 CO -0.04 0.63 -0.51 0.77 -1.72 0.00 0.00 179.24 178.37 1wmh h SER 76 N 0.53 0.20 -0.46 6.45 4.64 -1.88 -1.59 113.55 121.43 1wmh h SER 76 Ca 0.13 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1wmh h SER 76 Cb 0.25 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1wmh h SER 76 CO -0.01 0.68 0.02 0.25 -0.87 0.00 0.00 176.83 176.91 1wmh h LEU 77 N 0.15 0.78 -0.69 5.97 5.85 -1.00 0.94 115.31 127.30 1wmh h LEU 77 Ca 0.00 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1wmh h LEU 77 Cb 0.96 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1wmh h LEU 77 CO 0.08 0.88 0.43 0.45 -0.34 0.00 0.00 178.44 179.94 1wmh h HIS 78 N 0.65 0.81 -0.42 1.25 3.86 -0.68 -0.77 115.15 119.85 1wmh h HIS 78 Ca 0.13 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1wmh h HIS 78 Cb 0.47 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1wmh h HIS 78 CO 0.04 0.47 -0.15 0.00 0.86 0.00 0.00 177.93 179.15 1wmh h ARG 79 N 0.86 0.78 -0.62 2.45 3.08 -0.97 -2.92 114.38 117.04 1wmh h ARG 79 Ca 0.27 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1wmh h ARG 79 Cb -0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1wmh h ARG 79 CO -0.10 0.89 0.19 0.00 -1.07 0.00 0.00 179.97 179.88 1wmh h ALA 80 N 1.13 1.17 0.00 0.04 0.00 0.04 -1.69 119.26 119.95 1wmh h ALA 80 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wmh h ALA 80 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wmh h ALA 80 CO 0.04 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1wmh n LEU 81 N -4.28 0.00 -2.74 0.00 4.77 -0.38 -2.59 117.00 111.79 1wmh n LEU 81 Ca 0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1wmh n LEU 81 Cb 0.21 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1wmh n LEU 81 CO 0.40 0.00 -0.05 0.00 -1.33 0.00 0.00 177.39 176.42 1wmh n ALA 82 N -0.69 3.03 -1.67 -1.18 0.00 -0.64 -4.94 120.51 114.42 1wmh n ALA 82 Ca 0.06 -2.96 -0.33 0.00 0.00 0.00 0.00 53.44 50.21 1wmh n ALA 82 Cb 0.03 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 18.65 1wmh n ALA 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wmh n SER 83 N -0.38 6.82 0.00 0.00 3.41 -1.07 -4.93 113.62 117.47 1wmh n SER 83 Ca 0.09 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 1wmh n SER 83 Cb 0.81 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wmh n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmh n GLY 84 N -0.77 -1.80 3.75 5.00 0.00 -1.26 -3.11 105.19 106.99 1wmh n GLY 84 Ca 0.55 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1wmh n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wmh s PRO 85 N 0.00 2.82 0.90 1.61 0.04 -1.26 -4.99 135.00 134.12 1wmh s PRO 85 Ca 0.00 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1wmh s PRO 85 Cb 0.00 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.75 1wmh s PRO 85 CO 0.00 -1.30 1.13 -1.25 0.04 0.00 0.00 177.00 175.62 1wmh s PRO 86 N -3.58 1.19 0.60 0.56 0.04 -1.26 -4.67 135.00 127.88 1wmh s PRO 86 Ca 0.74 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 1wmh s PRO 86 Cb -0.28 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1wmh s PRO 86 CO 0.36 -2.48 0.92 -1.25 0.04 0.00 0.00 177.00 174.59 1wmh s PRO 87 N -4.70 2.89 -0.34 0.56 0.04 -1.26 -5.09 135.00 127.10 1wmh s PRO 87 Ca 0.66 0.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 1wmh s PRO 87 Cb -0.22 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1wmh s PRO 87 CO 0.58 -0.74 0.97 -1.17 0.04 0.00 0.00 177.00 176.68 1wmh s LEU 88 N -5.02 3.98 -0.35 -3.56 2.96 0.86 -4.89 118.68 112.66 1wmh s LEU 88 Ca 0.54 0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 55.05 1wmh s LEU 88 Cb -0.11 -3.35 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 1wmh s LEU 88 CO 0.45 -0.83 0.58 -0.13 -1.32 0.00 0.00 176.35 175.11 1wmh s ARG 89 N 3.47 3.66 0.16 1.98 0.52 -1.26 -1.41 118.95 126.07 1wmh s ARG 89 Ca 0.40 -0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.64 1wmh s ARG 89 Cb -0.12 -3.81 -0.04 0.00 0.52 0.00 0.00 34.95 31.50 1wmh s ARG 89 CO 0.16 -0.69 0.02 -0.51 0.02 0.00 0.00 175.30 174.30 1wmh s LEU 90 N 2.57 3.42 -0.08 2.53 1.43 -0.38 -1.63 118.68 126.54 1wmh s LEU 90 Ca 0.22 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1wmh s LEU 90 Cb -0.15 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1wmh s LEU 90 CO 0.14 0.10 -0.17 -0.22 0.23 0.00 0.00 176.35 176.42 1wmh s LEU 91 N -2.89 1.84 -0.16 1.79 2.96 0.21 -1.00 118.68 121.43 1wmh s LEU 91 Ca 0.28 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1wmh s LEU 91 Cb -0.10 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.52 1wmh s LEU 91 CO 0.19 0.09 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.42 1wmh s VAL 92 N 0.54 2.10 0.09 1.68 1.01 0.56 -1.23 120.40 125.15 1wmh s VAL 92 Ca -0.16 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1wmh s VAL 92 Cb -0.17 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1wmh s VAL 92 CO 0.06 0.54 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 1wmh s GLN 93 N 1.08 0.91 0.37 2.72 -1.52 -0.17 -3.50 119.66 119.55 1wmh s GLN 93 Ca -0.00 -1.06 0.04 0.00 -1.95 0.00 0.00 55.36 52.38 1wmh s GLN 93 Cb -0.14 -0.92 -0.03 0.00 -0.22 0.00 0.00 33.01 31.70 1wmh s GLN 93 CO -0.08 0.20 0.13 -1.59 -0.25 0.00 0.00 175.29 173.70 1wmh s LYS 94 N -2.02 1.81 0.00 2.91 -2.85 -1.26 -0.10 119.74 118.23 1wmh s LYS 94 Ca 0.02 -2.08 0.00 0.00 -1.00 0.00 0.00 55.97 52.91 1wmh s LYS 94 Cb -0.09 -0.51 0.00 0.00 -2.06 0.00 0.00 37.83 35.17 1wmh s LYS 94 CO 0.03 -0.44 0.46 0.54 0.10 0.00 0.00 175.35 176.04