#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmq s LEU 3 N 0.00 4.35 -0.15 3.22 1.43 -1.26 -0.89 118.68 125.38 1wmq s LEU 3 Ca 0.00 2.31 -0.29 0.00 -1.03 0.00 0.00 54.13 55.12 1wmq s LEU 3 Cb 0.00 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1wmq s LEU 3 CO 0.00 -0.75 1.42 -2.28 0.23 0.00 0.00 176.35 174.97 1wmq s HIS 4 N 1.99 2.49 0.55 0.29 5.65 0.87 -4.77 115.29 122.35 1wmq s HIS 4 Ca 0.67 0.69 0.31 0.00 0.25 0.00 0.00 55.06 56.99 1wmq s HIS 4 Cb -0.36 -3.71 1.48 0.00 -1.18 0.00 0.00 32.58 28.81 1wmq s HIS 4 CO 0.29 -2.50 1.88 -0.22 -0.65 0.00 0.00 174.74 173.54 1wmq h LYS 5 N 8.96 0.00 -0.62 2.88 3.11 -1.93 0.49 116.57 129.46 1wmq h LYS 5 Ca -0.31 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1wmq h LYS 5 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1wmq h LYS 5 CO 0.97 0.00 0.00 -0.85 -2.81 0.00 0.00 179.45 176.76 1wmq n GLU 6 N -4.17 2.72 -1.15 1.90 0.28 -1.26 -4.29 120.64 114.68 1wmq n GLU 6 Ca 0.18 -2.49 0.03 0.00 -0.16 0.00 0.00 57.16 54.72 1wmq n GLU 6 Cb 0.95 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 32.44 1wmq n GLU 6 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wmq n ARG 7 N 1.38 1.10 -2.11 3.44 1.74 0.15 -5.00 116.66 117.37 1wmq n ARG 7 Ca 0.21 -2.86 -0.30 0.00 -0.77 0.00 0.00 57.85 54.13 1wmq n ARG 7 Cb 0.58 -1.03 -0.05 0.00 -1.02 0.00 0.00 32.46 30.94 1wmq n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wmq s ARG 8 N -2.02 2.68 0.32 5.56 0.52 -1.17 -4.17 118.95 120.65 1wmq s ARG 8 Ca 0.37 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.39 1wmq s ARG 8 Cb 0.38 -5.00 0.80 0.00 0.52 0.00 0.00 34.95 31.65 1wmq s ARG 8 CO -0.10 -3.16 1.77 0.97 0.02 0.00 0.00 175.30 174.80 1wmq h ILE 9 N 7.15 0.67 0.40 1.52 2.10 -1.91 -0.47 117.51 126.97 1wmq h ILE 9 Ca 0.06 -0.24 -0.02 0.00 1.08 0.00 0.00 64.86 65.74 1wmq h ILE 9 Cb 1.03 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 1wmq h ILE 9 CO 1.23 0.13 -0.19 1.23 -1.08 0.00 0.00 178.15 179.47 1wmq h GLY 10 N 0.69 -0.56 0.75 8.18 0.00 -1.98 -1.92 103.07 108.23 1wmq h GLY 10 Ca 0.58 0.21 0.05 0.00 0.00 0.00 0.00 47.33 48.18 1wmq h GLY 10 CO -0.38 -0.20 0.45 -0.09 0.00 0.00 0.00 176.54 176.31 1wmq h ARG 11 N -0.88 0.81 -0.68 4.80 2.43 -1.88 -2.13 114.38 116.85 1wmq h ARG 11 Ca -0.06 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1wmq h ARG 11 Cb 0.55 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1wmq h ARG 11 CO 0.09 0.54 0.35 -0.07 -1.51 0.00 0.00 179.97 179.37 1wmq h LEU 12 N 0.84 0.88 -1.09 3.80 3.38 -1.12 -1.11 115.31 120.88 1wmq h LEU 12 Ca 0.32 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1wmq h LEU 12 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1wmq h LEU 12 CO -0.16 0.74 -0.31 0.77 0.09 0.00 0.00 178.44 179.57 1wmq h SER 13 N 0.95 0.25 -0.07 -0.43 4.64 -0.89 -2.07 113.55 115.93 1wmq h SER 13 Ca 0.24 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1wmq h SER 13 Cb 0.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1wmq h SER 13 CO -0.03 0.56 -0.23 0.58 -0.87 0.00 0.00 176.83 176.83 1wmq h VAL 14 N 0.22 1.43 -0.91 0.95 2.07 -1.04 -2.37 116.25 116.59 1wmq h VAL 14 Ca 0.03 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 65.96 1wmq h VAL 14 Cb 0.66 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1wmq h VAL 14 CO 0.05 0.46 0.60 -0.07 0.02 0.00 0.00 177.57 178.62 1wmq h LEU 15 N -0.21 1.01 -0.74 2.57 3.38 -1.13 0.17 115.31 120.35 1wmq h LEU 15 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1wmq h LEU 15 Cb 0.86 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1wmq h LEU 15 CO 0.05 0.71 0.30 0.25 0.09 0.00 0.00 178.44 179.83 1wmq h LEU 16 N 1.18 1.02 -0.65 1.67 5.85 -1.39 -2.32 115.31 120.67 1wmq h LEU 16 Ca 0.35 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1wmq h LEU 16 Cb -0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1wmq h LEU 16 CO -0.10 0.92 -0.47 0.25 -0.34 0.00 0.00 178.44 178.69 1wmq h LEU 17 N 1.07 0.54 -1.07 2.25 5.85 -0.70 -3.23 115.31 120.01 1wmq h LEU 17 Ca 0.25 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wmq h LEU 17 Cb 0.21 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1wmq h LEU 17 CO -0.02 0.93 0.00 0.18 -0.34 0.00 0.00 178.44 179.19 1wmq n LEU 18 N -3.99 1.62 -3.77 2.25 4.77 0.49 -4.46 117.00 113.91 1wmq n LEU 18 Ca -0.02 -0.67 -0.29 0.00 -0.03 0.00 0.00 56.01 55.00 1wmq n LEU 18 Cb 0.55 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1wmq n LEU 18 CO 0.45 0.33 -0.20 0.20 -1.33 0.00 0.00 177.39 176.85 1wmq s ASN 19 N -1.59 3.80 0.00 -1.43 0.02 -0.90 -5.05 114.94 109.79 1wmq s ASN 19 Ca 0.32 -2.99 0.00 0.00 -1.02 0.00 0.00 52.86 49.17 1wmq s ASN 19 Cb 0.18 -1.22 0.00 0.00 0.02 0.00 0.00 41.25 40.22 1wmq s ASN 19 CO 0.27 -0.21 0.00 -1.84 0.02 0.00 0.00 177.10 175.33 1wmq n GLU 20 N 3.07 0.00 0.00 -0.60 0.28 -1.26 -4.88 120.64 117.25 1wmq n GLU 20 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 1wmq n GLU 20 Cb 0.35 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.22 1wmq n GLU 20 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1wmq n THR 25 N 0.00 0.00 0.09 3.84 -1.04 -1.26 -4.59 114.28 111.31 1wmq n THR 25 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1wmq n THR 25 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1wmq n THR 25 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1wmq h GLN 26 N 0.00 0.17 -0.35 -2.82 4.15 -1.99 -1.44 115.11 112.84 1wmq h GLN 26 Ca 0.00 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1wmq h GLN 26 Cb 0.00 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1wmq h GLN 26 CO 0.00 1.14 0.15 0.28 -1.93 0.00 0.00 178.83 178.47 1wmq h VAL 27 N 0.05 1.18 -0.90 2.39 2.07 -2.00 0.27 116.25 119.32 1wmq h VAL 27 Ca -0.09 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1wmq h VAL 27 Cb 1.90 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1wmq h VAL 27 CO 0.18 0.19 0.59 -0.33 0.02 0.00 0.00 177.57 178.22 1wmq h GLU 28 N 0.42 1.17 -0.34 1.57 5.08 -1.96 0.19 114.58 120.71 1wmq h GLU 28 Ca 0.12 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1wmq h GLU 28 Cb 0.16 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1wmq h GLU 28 CO -0.01 0.77 -0.22 1.49 -1.00 0.00 0.00 179.01 180.04 1wmq h GLU 29 N 1.20 0.74 -0.42 2.33 4.81 -0.93 -0.60 114.58 121.72 1wmq h GLU 29 Ca 0.33 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1wmq h GLU 29 Cb -0.12 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1wmq h GLU 29 CO -0.08 0.96 0.16 -0.07 -0.73 0.00 0.00 179.01 179.25 1wmq h LEU 30 N 0.52 0.59 -1.16 1.64 3.38 -0.45 -1.93 115.31 117.90 1wmq h LEU 30 Ca 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1wmq h LEU 30 Cb 0.77 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1wmq h LEU 30 CO 0.06 0.60 0.19 -0.33 0.09 0.00 0.00 178.44 179.06 1wmq h GLU 31 N 0.53 0.79 0.00 1.13 5.08 -0.55 -0.14 114.58 121.42 1wmq h GLU 31 Ca 0.14 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1wmq h GLU 31 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1wmq h GLU 31 CO -0.01 0.66 -0.25 0.00 -1.00 0.00 0.00 179.01 178.42 1wmq h ARG 32 N 0.77 0.00 -0.01 2.33 3.08 -0.69 -0.14 114.38 119.72 1wmq h ARG 32 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1wmq h ARG 32 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1wmq h ARG 32 CO -0.01 0.25 0.00 -0.25 -1.07 0.00 0.00 179.97 178.88 1wmq n ASP 33 N -4.20 0.18 0.00 7.04 9.92 -0.20 -4.86 116.55 124.43 1wmq n ASP 33 Ca -0.02 -1.30 0.00 0.00 -0.53 0.00 0.00 54.79 52.94 1wmq n ASP 33 Cb 0.30 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 1wmq n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wmq n GLY 34 N 0.90 0.77 3.85 0.44 0.00 -0.06 -5.07 105.19 106.02 1wmq n GLY 34 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1wmq n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wmq s TRP 35 N -2.25 3.43 -0.22 1.61 0.52 -0.41 -4.89 118.94 116.72 1wmq s TRP 35 Ca 0.00 1.30 -0.05 0.00 0.02 0.00 0.00 56.10 57.37 1wmq s TRP 35 Cb 0.00 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 1wmq s TRP 35 CO 0.00 -0.17 -0.00 0.15 0.02 0.00 0.00 176.95 176.94 1wmq s LYS 36 N -3.71 3.51 0.08 4.98 -0.14 -0.45 -3.97 119.74 120.04 1wmq s LYS 36 Ca 0.56 -0.56 0.02 0.00 -1.36 0.00 0.00 55.97 54.63 1wmq s LYS 36 Cb -0.10 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 32.90 1wmq s LYS 36 CO 0.27 -0.15 -0.07 0.08 -0.76 0.00 0.00 175.35 174.72 1wmq s VAL 37 N 1.41 0.64 -0.25 3.17 1.01 -1.26 -0.02 120.40 125.11 1wmq s VAL 37 Ca 0.05 -1.63 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 1wmq s VAL 37 Cb -0.15 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.00 1wmq s VAL 37 CO -0.00 -0.69 0.66 0.00 0.00 0.00 0.00 175.10 175.07 1wmq s LEU 39 N 0.44 2.39 0.39 0.00 1.43 -1.26 -1.73 118.68 120.34 1wmq s LEU 39 Ca -0.01 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 1wmq s LEU 39 Cb -0.05 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.87 1wmq s LEU 39 CO -0.01 0.22 0.74 -0.83 0.23 0.00 0.00 176.35 176.70 1wmq s GLY 40 N -1.71 0.62 -0.09 -3.19 0.00 -0.48 -5.00 107.32 97.47 1wmq s GLY 40 Ca 0.14 -0.93 -0.11 0.00 0.00 0.00 0.00 44.72 43.82 1wmq s GLY 40 CO 0.05 -0.45 0.30 -1.59 0.00 0.00 0.00 173.10 171.41 1wmq s LYS 41 N -2.31 0.42 -0.17 2.90 -2.85 -1.26 -0.36 119.74 116.11 1wmq s LYS 41 Ca 0.19 0.29 -0.23 0.00 -1.00 0.00 0.00 55.97 55.22 1wmq s LYS 41 Cb -0.04 0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.98 1wmq s LYS 41 CO 0.14 -0.07 0.60 0.54 0.10 0.00 0.00 175.35 176.66 1wmq s VAL 42 N -0.14 0.01 -0.01 1.79 0.11 -0.07 -4.99 120.40 117.09 1wmq s VAL 42 Ca -0.03 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1wmq s VAL 42 Cb -0.03 -0.87 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1wmq s VAL 42 CO 0.01 -0.02 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.87 1wmq s GLY 43 N -0.20 0.31 0.01 6.54 0.00 -1.26 -0.09 107.32 112.64 1wmq s GLY 43 Ca -0.04 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.16 1wmq s GLY 43 CO 0.03 -0.13 1.19 -0.45 0.00 0.00 0.00 173.10 173.74 1wmq s SER 44 N -0.00 -0.10 0.00 1.64 0.15 -0.21 -4.98 113.70 110.20 1wmq s SER 44 Ca 0.01 -0.19 0.10 0.00 0.70 0.00 0.00 55.95 56.56 1wmq s SER 44 Cb -0.04 0.25 0.22 0.00 -1.71 0.00 0.00 66.02 64.74 1wmq s SER 44 CO -0.00 -0.45 1.11 0.23 1.20 0.00 0.00 173.24 175.32 1wmq n MET 45 N -0.45 2.18 -4.06 5.44 2.81 -1.26 -1.81 117.12 119.97 1wmq n MET 45 Ca -0.07 -1.73 -0.32 0.00 -1.81 0.00 0.00 57.70 53.76 1wmq n MET 45 Cb 0.62 -1.22 -0.16 0.00 -0.71 0.00 0.00 33.22 31.75 1wmq n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wmq s ASP 46 N -0.95 3.73 0.38 7.83 1.01 -1.26 0.19 116.67 127.60 1wmq s ASP 46 Ca 0.18 -1.02 0.07 0.00 0.71 0.00 0.00 52.55 52.49 1wmq s ASP 46 Cb 0.10 -1.44 0.79 0.00 1.01 0.00 0.00 42.92 43.38 1wmq s ASP 46 CO 0.13 -0.12 1.99 0.00 0.21 0.00 0.00 175.17 177.38 1wmq h ALA 47 N 7.88 1.73 0.00 5.23 0.00 -1.92 -1.81 119.26 130.37 1wmq h ALA 47 Ca -0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wmq h ALA 47 Cb 1.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wmq h ALA 47 CO 0.52 0.18 -0.04 1.12 0.00 0.00 0.00 179.25 181.04 1wmq h HIS 48 N 0.69 0.00 -0.07 0.00 2.07 -1.98 -0.62 115.15 115.24 1wmq h HIS 48 Ca 0.27 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.65 1wmq h HIS 48 Cb 0.20 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.16 1wmq h HIS 48 CO -0.00 0.04 -0.59 0.87 -3.07 0.00 0.00 177.93 175.18 1wmq h LYS 49 N 0.00 0.23 -0.11 5.12 1.57 -1.76 0.34 116.57 121.96 1wmq h LYS 49 Ca -0.00 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1wmq h LYS 49 Cb 0.07 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1wmq h LYS 49 CO 0.00 0.75 -0.07 0.28 -0.57 0.00 0.00 179.45 179.85 1wmq h VAL 50 N 0.17 1.33 -0.18 0.50 2.07 -1.15 -1.49 116.25 117.50 1wmq h VAL 50 Ca -0.00 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1wmq h VAL 50 Cb 1.09 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1wmq h VAL 50 CO 0.09 0.32 0.05 0.40 0.02 0.00 0.00 177.57 178.45 1wmq h ILE 51 N -0.13 0.94 -0.74 4.57 2.04 -1.14 -2.40 117.51 120.65 1wmq h ILE 51 Ca 0.02 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1wmq h ILE 51 Cb 0.55 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1wmq h ILE 51 CO 0.02 0.02 0.48 0.00 0.00 0.00 0.00 178.15 178.68 1wmq h ALA 52 N 1.12 0.95 -0.62 1.87 0.00 -0.90 -1.57 119.26 120.11 1wmq h ALA 52 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1wmq h ALA 52 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1wmq h ALA 52 CO -0.09 0.32 0.32 0.00 0.00 0.00 0.00 179.25 179.81 1wmq h ALA 53 N 1.29 0.80 -0.48 0.00 0.00 -1.05 0.11 119.26 119.92 1wmq h ALA 53 Ca 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1wmq h ALA 53 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1wmq h ALA 53 CO -0.08 0.33 0.06 0.82 0.00 0.00 0.00 179.25 180.38 1wmq h ILE 54 N 0.85 1.25 -0.01 0.00 2.04 -1.14 -0.39 117.51 120.11 1wmq h ILE 54 Ca 0.22 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1wmq h ILE 54 Cb 0.07 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1wmq h ILE 54 CO -0.03 0.34 -0.00 -0.08 0.00 0.00 0.00 178.15 178.37 1wmq h GLU 55 N 0.68 0.03 -0.80 2.37 4.81 -1.10 -1.47 114.58 119.10 1wmq h GLU 55 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1wmq h GLU 55 Cb 0.42 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1wmq h GLU 55 CO 0.01 0.39 0.52 1.15 -0.73 0.00 0.00 179.01 180.35 1wmq h THR 56 N -0.34 1.21 -0.11 0.32 2.02 -0.73 -0.61 112.91 114.67 1wmq h THR 56 Ca 0.00 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.58 1wmq h THR 56 Cb 0.38 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1wmq h THR 56 CO 0.00 0.21 -0.71 0.00 0.37 0.00 0.00 175.52 175.39 1wmq h ALA 57 N 1.48 0.55 -0.29 6.16 0.00 -1.05 -2.48 119.26 123.63 1wmq h ALA 57 Ca 0.29 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1wmq h ALA 57 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wmq h ALA 57 CO -0.06 0.73 -0.26 0.77 0.00 0.00 0.00 179.25 180.44 1wmq h SER 58 N 0.36 0.57 0.80 0.00 0.02 -0.65 -1.54 113.55 113.12 1wmq h SER 58 Ca -0.03 -0.20 -0.24 0.00 -0.84 0.00 0.00 61.79 60.47 1wmq h SER 58 Cb 1.29 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1wmq h SER 58 CO 0.13 0.82 -1.14 0.11 -1.14 0.00 0.00 176.83 175.60 1wmq h LYS 59 N 0.50 0.14 0.00 3.45 1.57 -1.14 0.16 116.57 121.24 1wmq h LYS 59 Ca 0.07 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.47 1wmq h LYS 59 Cb 0.71 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1wmq h LYS 59 CO 0.05 1.10 -0.70 0.87 -0.57 0.00 0.00 179.45 180.20 1wmq h LYS 60 N 0.04 0.00 -0.01 3.15 6.56 -1.39 -3.07 116.57 121.86 1wmq h LYS 60 Ca -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1wmq h LYS 60 Cb 1.88 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.54 1wmq h LYS 60 CO 0.17 0.70 -0.23 -1.13 -2.06 0.00 0.00 179.45 176.89 1wmq n SER 61 N -3.39 0.89 -0.02 0.86 3.41 -0.59 -4.94 113.62 109.83 1wmq n SER 61 Ca 0.00 -0.79 -0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1wmq n SER 61 Cb 0.77 0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1wmq n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmq n GLY 62 N 1.34 0.44 0.20 5.00 0.00 -1.10 -4.93 105.19 106.14 1wmq n GLY 62 Ca 0.12 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1wmq n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wmq h VAL 63 N 0.00 1.31 -3.93 1.61 2.07 -0.96 -3.44 116.25 112.91 1wmq h VAL 63 Ca -0.01 -1.56 -0.25 0.00 0.82 0.00 0.00 66.70 65.70 1wmq h VAL 63 Cb 0.03 1.69 -0.19 0.00 -1.52 0.00 0.00 31.29 31.30 1wmq h VAL 63 CO 0.01 0.47 -0.72 0.27 0.02 0.00 0.00 177.57 177.62 1wmq s ILE 64 N -4.13 0.57 0.31 4.57 -4.36 -1.06 -4.90 121.20 112.20 1wmq s ILE 64 Ca -0.05 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 58.69 1wmq s ILE 64 Cb 0.13 -0.95 -0.10 0.00 1.25 0.00 0.00 42.46 42.78 1wmq s ILE 64 CO 0.78 -0.55 1.39 -1.10 0.24 0.00 0.00 174.94 175.69 1wmq s GLN 65 N -2.33 4.28 0.38 0.37 -0.21 -1.26 -4.45 119.66 116.43 1wmq s GLN 65 Ca -0.03 2.31 0.21 0.00 0.02 0.00 0.00 55.36 57.88 1wmq s GLN 65 Cb -0.05 -3.06 0.24 0.00 1.00 0.00 0.00 33.01 31.14 1wmq s GLN 65 CO -0.02 -0.33 1.51 0.66 -2.12 0.00 0.00 175.29 174.99 1wmq h SER 66 N 3.88 0.00 -3.24 5.90 4.64 -1.96 -3.43 113.55 119.34 1wmq h SER 66 Ca -0.48 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.27 1wmq h SER 66 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1wmq h SER 66 CO 0.69 0.11 -0.25 -1.61 -0.87 0.00 0.00 176.83 174.91 1wmq s GLU 67 N -3.17 3.68 0.00 4.77 2.02 -1.26 -4.98 118.70 119.76 1wmq s GLU 67 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1wmq s GLU 67 Cb 0.06 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1wmq s GLU 67 CO 0.70 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.82 1wmq n GLY 68 N 0.08 -1.37 0.09 -1.39 0.00 -1.26 -4.85 105.19 96.49 1wmq n GLY 68 Ca -0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 1wmq n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wmq n TYR 69 N -1.46 0.00 -0.26 1.61 9.36 -1.26 -4.62 117.16 120.53 1wmq n TYR 69 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1wmq n TYR 69 Cb 0.00 -0.72 -0.06 0.00 -0.63 0.00 0.00 39.34 37.92 1wmq n TYR 69 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wmq n ARG 70 N -3.01 -0.27 0.11 2.98 0.63 -1.26 -0.03 116.66 115.81 1wmq n ARG 70 Ca -0.33 0.97 -0.03 0.00 -0.92 0.00 0.00 57.85 57.55 1wmq n ARG 70 Cb 0.86 -1.43 0.15 0.00 0.45 0.00 0.00 32.46 32.50 1wmq n ARG 70 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wmq h GLU 71 N 0.00 0.12 -0.29 -0.14 5.08 -1.88 -2.03 114.58 115.44 1wmq h GLU 71 Ca 0.10 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1wmq h GLU 71 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1wmq h GLU 71 CO -0.58 0.69 -0.26 0.77 -1.00 0.00 0.00 179.01 178.63 1wmq h SER 72 N 0.09 0.59 -0.37 1.42 0.02 -1.11 -1.39 113.55 112.80 1wmq h SER 72 Ca -0.01 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 1wmq h SER 72 Cb 1.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1wmq h SER 72 CO 0.09 0.83 0.01 -0.74 -1.14 0.00 0.00 176.83 175.88 1wmq h HIS 73 N 0.51 0.70 -0.66 3.45 -0.00 -0.18 -0.26 115.15 118.70 1wmq h HIS 73 Ca 0.07 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1wmq h HIS 73 Cb 0.72 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.91 1wmq h HIS 73 CO 0.03 0.73 0.34 0.00 -0.00 0.00 0.00 177.93 179.03 1wmq h ALA 74 N 0.87 0.85 -0.52 5.26 0.00 -1.14 -2.53 119.26 122.06 1wmq h ALA 74 Ca 0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1wmq h ALA 74 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1wmq h ALA 74 CO 0.02 0.39 -0.15 1.25 0.00 0.00 0.00 179.25 180.76 1wmq h LEU 75 N 0.91 1.03 -0.28 0.00 5.85 -1.09 -2.08 115.31 119.65 1wmq h LEU 75 Ca 0.23 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1wmq h LEU 75 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1wmq h LEU 75 CO -0.03 1.16 0.12 0.22 -0.34 0.00 0.00 178.44 179.57 1wmq h TYR 76 N 0.89 0.23 -0.11 1.25 3.20 -0.84 0.60 116.97 122.18 1wmq h TYR 76 Ca 0.13 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 1wmq h TYR 76 Cb 0.73 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1wmq h TYR 76 CO 0.05 0.12 -0.38 0.45 -1.64 0.00 0.00 178.16 176.76 1wmq h HIS 77 N 0.27 0.28 -0.44 -3.82 3.86 -1.41 0.16 115.15 114.05 1wmq h HIS 77 Ca 0.12 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1wmq h HIS 77 Cb 0.05 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1wmq h HIS 77 CO -0.11 0.59 -0.19 0.00 0.86 0.00 0.00 177.93 179.08 1wmq h ALA 78 N 1.40 0.83 -0.57 2.45 0.00 -0.90 -1.41 119.26 121.07 1wmq h ALA 78 Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1wmq h ALA 78 Cb 0.77 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wmq h ALA 78 CO 0.06 0.64 -0.04 1.15 0.00 0.00 0.00 179.25 181.07 1wmq h THR 79 N 0.75 1.27 -0.53 0.00 2.02 -0.34 -1.47 112.91 114.61 1wmq h THR 79 Ca 0.11 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.12 1wmq h THR 79 Cb 0.72 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1wmq h THR 79 CO 0.06 0.42 0.33 0.24 0.37 0.00 0.00 175.52 176.94 1wmq h MET 80 N 0.91 0.65 -0.70 6.66 2.86 -0.73 -0.11 114.93 124.47 1wmq h MET 80 Ca 0.16 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1wmq h MET 80 Cb 0.59 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1wmq h MET 80 CO 0.04 0.43 0.21 0.93 1.06 0.00 0.00 176.91 179.58 1wmq h GLU 81 N 0.67 1.08 -0.40 1.72 5.08 -0.99 -2.29 114.58 119.45 1wmq h GLU 81 Ca 0.20 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1wmq h GLU 81 Cb -0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1wmq h GLU 81 CO -0.07 0.92 -0.13 0.00 -1.00 0.00 0.00 179.01 178.74 1wmq h ALA 82 N 1.19 1.02 0.00 3.43 0.00 -0.80 -2.50 119.26 121.60 1wmq h ALA 82 Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1wmq h ALA 82 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wmq h ALA 82 CO -0.01 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.67 1wmq h LEU 83 N 0.66 0.00 -1.00 0.00 3.38 -0.48 -2.13 115.31 115.74 1wmq h LEU 83 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wmq h LEU 83 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1wmq h LEU 83 CO 0.04 0.10 0.31 0.45 0.09 0.00 0.00 178.44 179.42 1wmq h HIS 84 N 0.00 1.02 -0.17 1.13 3.86 -1.04 0.18 115.15 120.13 1wmq h HIS 84 Ca -0.00 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 1wmq h HIS 84 Cb 0.29 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1wmq h HIS 84 CO 0.00 0.76 -0.39 0.78 0.86 0.00 0.00 177.93 179.95 1wmq h GLY 85 N 1.07 0.42 0.99 2.45 0.00 -1.47 0.16 103.07 106.70 1wmq h GLY 85 Ca 0.24 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 46.95 1wmq h GLY 85 CO -0.03 0.36 -0.88 -2.08 0.00 0.00 0.00 176.54 173.91 1wmq h VAL 86 N 0.33 1.36 0.00 4.60 2.07 -1.08 -3.37 116.25 120.15 1wmq h VAL 86 Ca 0.03 -2.25 -0.14 0.00 0.82 0.00 0.00 66.70 65.16 1wmq h VAL 86 Cb 0.83 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 1wmq h VAL 86 CO 0.07 0.67 -1.39 0.35 0.02 0.00 0.00 177.57 177.29 1wmq n THR 87 N -4.02 1.08 -3.67 2.57 -2.24 0.56 -4.86 114.28 103.69 1wmq n THR 87 Ca -0.12 -0.67 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 1wmq n THR 87 Cb 0.81 -0.65 0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1wmq n THR 87 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wmq n ARG 88 N -2.84 -1.76 0.00 -0.78 1.74 0.57 -3.91 116.66 109.68 1wmq n ARG 88 Ca -0.09 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1wmq n ARG 88 Cb 0.80 -4.37 0.00 0.00 -1.02 0.00 0.00 32.46 27.87 1wmq n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wmq n GLY 89 N -1.67 3.62 2.94 -0.13 0.00 -1.26 -5.04 105.19 103.65 1wmq n GLY 89 Ca -0.13 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1wmq n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wmq s GLU 90 N 0.00 1.74 -1.52 1.61 0.41 -1.25 -5.02 118.70 114.67 1wmq s GLU 90 Ca 0.00 -0.53 -0.09 0.00 -0.41 0.00 0.00 54.97 53.94 1wmq s GLU 90 Cb 0.00 -2.01 -0.07 0.00 -1.78 0.00 0.00 34.13 30.27 1wmq s GLU 90 CO 0.00 -0.36 2.92 -0.12 -0.49 0.00 0.00 175.26 177.22 1wmq n MET 91 N 4.83 3.75 -4.26 1.61 1.56 -1.26 -4.76 117.12 118.58 1wmq n MET 91 Ca -0.14 -2.31 -0.17 0.00 -0.27 0.00 0.00 57.70 54.81 1wmq n MET 91 Cb 0.48 -2.74 -0.14 0.00 2.15 0.00 0.00 33.22 32.97 1wmq n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wmq s LEU 92 N -0.13 2.10 0.00 -0.89 1.43 -1.26 -4.96 118.68 114.97 1wmq s LEU 92 Ca 0.68 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1wmq s LEU 92 Cb 0.19 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 46.01 1wmq s LEU 92 CO -0.06 0.02 0.00 0.18 0.23 0.00 0.00 176.35 176.72 1wmq n LEU 93 N 2.37 0.00 -0.31 1.79 4.77 -1.26 -4.73 117.00 119.63 1wmq n LEU 93 Ca -0.16 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1wmq n LEU 93 Cb 0.56 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.96 1wmq n LEU 93 CO 0.24 0.00 1.23 1.23 -1.33 0.00 0.00 177.39 178.75 1wmq h GLY 94 N 0.00 1.41 2.00 -0.72 0.00 0.20 -0.58 103.07 105.38 1wmq h GLY 94 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1wmq h GLY 94 CO 0.00 0.12 0.00 1.48 0.00 0.00 0.00 176.54 178.14 1wmq h SER 95 N 0.83 0.00 -0.41 0.19 4.64 -1.87 0.12 113.55 117.06 1wmq h SER 95 Ca 0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.66 1wmq h SER 95 Cb 0.60 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.62 1wmq h SER 95 CO -0.23 0.00 0.05 0.18 -0.87 0.00 0.00 176.83 175.96 1wmq n LEU 96 N -2.92 4.47 -3.80 5.97 4.77 -0.32 -4.96 117.00 120.22 1wmq n LEU 96 Ca -0.01 -3.37 -0.26 0.00 -0.03 0.00 0.00 56.01 52.34 1wmq n LEU 96 Cb 0.15 -0.63 0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1wmq n LEU 96 CO 0.21 0.93 0.04 -0.11 -1.33 0.00 0.00 177.39 177.14 1wmq n LEU 97 N -0.73 -2.86 -4.05 2.23 7.94 0.03 -4.99 117.00 114.57 1wmq n LEU 97 Ca 0.31 -0.78 -0.08 0.00 -1.11 0.00 0.00 56.01 54.35 1wmq n LEU 97 Cb 1.07 -2.64 -0.10 0.00 0.53 0.00 0.00 43.42 42.28 1wmq n LEU 97 CO 0.24 0.45 -0.36 0.00 -1.11 0.00 0.00 177.39 176.61 1wmq s ARG 98 N -6.31 0.50 0.13 1.96 1.70 -0.66 -4.34 118.95 111.93 1wmq s ARG 98 Ca 0.37 -0.98 0.05 0.00 -0.47 0.00 0.00 55.73 54.70 1wmq s ARG 98 Cb -0.18 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 1wmq s ARG 98 CO 0.82 -0.08 -0.11 -0.08 -1.08 0.00 0.00 175.30 174.77 1wmq s THR 99 N -2.88 1.14 0.03 4.99 -1.32 -0.16 -2.25 115.64 115.18 1wmq s THR 99 Ca -0.02 -1.85 0.04 0.00 -1.21 0.00 0.00 61.69 58.66 1wmq s THR 99 Cb 0.00 -1.62 -0.02 0.00 -1.51 0.00 0.00 72.50 69.36 1wmq s THR 99 CO -0.06 -0.61 -0.13 0.68 -2.21 0.00 0.00 174.62 172.29 1wmq s VAL 100 N -2.76 1.03 -0.22 5.08 -7.23 -0.75 -1.72 120.40 113.83 1wmq s VAL 100 Ca 0.11 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1wmq s VAL 100 Cb -0.01 -0.92 0.05 0.00 0.56 0.00 0.00 36.38 36.06 1wmq s VAL 100 CO 0.01 0.04 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.93 1wmq s GLY 101 N -0.95 1.32 0.19 2.32 0.00 -0.24 -1.05 107.32 108.92 1wmq s GLY 101 Ca 0.02 -1.33 0.08 0.00 0.00 0.00 0.00 44.72 43.49 1wmq s GLY 101 CO 0.01 0.77 -0.16 1.08 0.00 0.00 0.00 173.10 174.80 1wmq s LEU 102 N 1.36 2.52 -0.02 0.66 1.43 0.87 -1.28 118.68 124.22 1wmq s LEU 102 Ca -0.04 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.16 1wmq s LEU 102 Cb -0.18 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 1wmq s LEU 102 CO -0.07 -0.12 -0.23 -0.60 0.23 0.00 0.00 176.35 175.56 1wmq s ARG 103 N -3.37 1.89 0.07 1.70 3.52 0.09 -0.89 118.95 121.96 1wmq s ARG 103 Ca 0.20 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1wmq s ARG 103 Cb -0.02 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 1wmq s ARG 103 CO 0.07 0.49 -0.05 -0.59 -0.81 0.00 0.00 175.30 174.41 1wmq s PHE 104 N -0.52 0.65 0.00 5.12 -0.12 0.52 -1.58 117.98 122.05 1wmq s PHE 104 Ca 0.08 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 1wmq s PHE 104 Cb -0.09 -0.42 -0.00 0.00 -0.63 0.00 0.00 43.02 41.87 1wmq s PHE 104 CO -0.01 -0.26 -0.01 0.00 -0.05 0.00 0.00 175.22 174.90 1wmq s ALA 105 N -3.46 0.04 -0.10 1.99 0.00 -0.51 -1.38 121.76 118.34 1wmq s ALA 105 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1wmq s ALA 105 Cb 0.04 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1wmq s ALA 105 CO -0.07 -0.01 -0.11 0.08 0.00 0.00 0.00 175.76 175.65 1wmq s VAL 106 N -0.19 1.22 -0.04 0.00 1.01 -0.71 -0.87 120.40 120.81 1wmq s VAL 106 Ca -0.02 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1wmq s VAL 106 Cb -0.01 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1wmq s VAL 106 CO -0.00 0.39 -0.23 -0.22 0.00 0.00 0.00 175.10 175.04 1wmq s LEU 107 N 1.22 2.03 -0.06 3.92 2.96 -0.38 -2.10 118.68 126.27 1wmq s LEU 107 Ca -0.03 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1wmq s LEU 107 Cb -0.14 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.34 1wmq s LEU 107 CO -0.04 0.24 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.54 1wmq s ARG 108 N -0.24 1.34 0.00 1.98 3.52 0.98 -0.91 118.95 125.62 1wmq s ARG 108 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1wmq s ARG 108 Cb -0.12 -1.17 0.00 0.00 -1.56 0.00 0.00 34.95 32.10 1wmq s ARG 108 CO 0.02 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 1wmq n GLY 109 N 3.92 -2.23 3.49 8.12 0.00 -0.66 -1.34 105.19 116.48 1wmq n GLY 109 Ca -0.24 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1wmq n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wmq s ASN 110 N -0.30 6.16 0.00 1.61 3.84 -1.26 -0.61 114.94 124.38 1wmq s ASN 110 Ca 0.00 -0.63 0.29 0.00 0.21 0.00 0.00 52.86 52.74 1wmq s ASN 110 Cb 0.00 -2.20 1.33 0.00 -0.55 0.00 0.00 41.25 39.83 1wmq s ASN 110 CO 0.00 -0.48 1.90 -0.81 -2.79 0.00 0.00 177.10 174.93 1wmq n PRO 111 N 5.41 1.15 -3.41 0.43 -0.04 -1.26 -4.92 135.00 132.36 1wmq n PRO 111 Ca -0.09 -0.45 -0.22 0.00 -0.04 0.00 0.00 63.50 62.70 1wmq n PRO 111 Cb 0.48 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1wmq n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wmq s TYR 112 N -2.17 3.31 0.25 0.54 1.51 -1.26 -0.09 117.35 119.45 1wmq s TYR 112 Ca 0.37 0.10 0.08 0.00 -1.01 0.00 0.00 57.07 56.61 1wmq s TYR 112 Cb 0.21 -1.97 0.29 0.00 -0.11 0.00 0.00 41.96 40.37 1wmq s TYR 112 CO 0.40 0.02 1.57 0.93 -1.11 0.00 0.00 175.55 177.36 1wmq h GLU 113 N 0.77 0.07 -5.72 -0.62 5.08 -1.32 -3.42 114.58 109.43 1wmq h GLU 113 Ca -0.48 -0.05 -0.60 0.00 -1.00 0.00 0.00 59.36 57.23 1wmq h GLU 113 Cb 1.24 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 1wmq h GLU 113 CO 0.58 0.69 0.30 0.45 -1.00 0.00 0.00 179.01 180.03 1wmq s SER 114 N -6.86 6.76 0.34 1.42 0.15 -1.26 -4.91 113.70 109.34 1wmq s SER 114 Ca -0.02 0.93 0.25 0.00 0.70 0.00 0.00 55.95 57.82 1wmq s SER 114 Cb 0.12 -2.39 1.23 0.00 -1.71 0.00 0.00 66.02 63.26 1wmq s SER 114 CO 0.78 -0.40 1.76 -0.08 1.20 0.00 0.00 173.24 176.50 1wmq h GLU 115 N 7.62 0.00 0.00 5.44 4.22 -1.97 -2.06 114.58 127.83 1wmq h GLU 115 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.17 1wmq h GLU 115 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wmq h GLU 115 CO 0.82 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 177.65 1wmq n ALA 116 N -1.83 1.94 0.50 2.92 0.00 -1.26 -2.86 120.51 119.93 1wmq n ALA 116 Ca -0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1wmq n ALA 116 Cb 0.13 -1.40 0.46 0.00 0.00 0.00 0.00 19.45 18.64 1wmq n ALA 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wmq n GLU 117 N -2.03 0.18 0.00 0.00 -0.58 -0.77 -4.99 120.64 112.44 1wmq n GLU 117 Ca 0.04 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1wmq n GLU 117 Cb 0.30 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1wmq n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wmq n GLY 118 N 0.42 -0.50 3.81 0.62 0.00 -1.13 -4.83 105.19 103.58 1wmq n GLY 118 Ca 0.03 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 1wmq n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wmq s ASP 119 N -4.00 7.08 0.22 1.61 1.01 -1.26 -4.08 116.67 117.25 1wmq s ASP 119 Ca 0.00 1.49 0.05 0.00 0.71 0.00 0.00 52.55 54.80 1wmq s ASP 119 Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1wmq s ASP 119 CO 0.00 -0.03 -0.06 0.26 0.21 0.00 0.00 175.17 175.56 1wmq s TRP 120 N -1.61 1.60 0.00 4.23 0.52 0.22 -1.14 118.94 122.75 1wmq s TRP 120 Ca 0.46 -0.79 0.03 0.00 0.02 0.00 0.00 56.10 55.82 1wmq s TRP 120 Cb -0.16 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.28 1wmq s TRP 120 CO 0.21 0.11 -0.08 -1.50 0.02 0.00 0.00 176.95 175.71 1wmq s ILE 121 N -3.25 0.63 -0.06 2.03 2.07 0.16 -1.66 121.20 121.13 1wmq s ILE 121 Ca 0.25 -0.45 0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1wmq s ILE 121 Cb 0.04 -0.55 -0.00 0.00 0.13 0.00 0.00 42.46 42.07 1wmq s ILE 121 CO 0.07 0.10 -0.19 0.00 -1.91 0.00 0.00 174.94 173.02 1wmq s ALA 122 N -0.34 1.71 -0.20 1.50 0.00 -0.08 -1.01 121.76 123.34 1wmq s ALA 122 Ca 0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1wmq s ALA 122 Cb -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1wmq s ALA 122 CO -0.00 0.28 -0.13 0.08 0.00 0.00 0.00 175.76 175.99 1wmq s VAL 123 N 0.14 2.63 -0.03 0.00 1.01 -0.15 -1.25 120.40 122.74 1wmq s VAL 123 Ca -0.08 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1wmq s VAL 123 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1wmq s VAL 123 CO 0.04 0.49 -0.24 -0.44 0.00 0.00 0.00 175.10 174.95 1wmq s SER 124 N 1.35 2.89 -0.02 3.32 0.01 -0.05 -1.08 113.70 120.12 1wmq s SER 124 Ca 0.05 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1wmq s SER 124 Cb -0.14 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 1wmq s SER 124 CO -0.08 0.28 -0.15 -0.76 0.41 0.00 0.00 173.24 172.93 1wmq s LEU 125 N -0.41 1.99 -0.13 2.44 1.43 0.10 -1.42 118.68 122.69 1wmq s LEU 125 Ca 0.05 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1wmq s LEU 125 Cb -0.11 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.36 1wmq s LEU 125 CO 0.01 0.17 0.32 -0.47 0.23 0.00 0.00 176.35 176.61 1wmq s TYR 126 N -0.24 -0.39 -0.61 0.29 5.04 -0.62 -1.41 117.35 119.42 1wmq s TYR 126 Ca 0.03 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1wmq s TYR 126 Cb -0.07 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.37 1wmq s TYR 126 CO -0.00 -0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.40 1wmq n GLY 127 N 3.46 -0.81 3.23 8.97 0.00 -0.77 -0.73 105.19 118.54 1wmq n GLY 127 Ca -0.18 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 1wmq n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wmq s THR 128 N -4.00 1.31 -0.00 2.61 -4.23 -0.40 -0.68 115.64 110.24 1wmq s THR 128 Ca 0.00 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1wmq s THR 128 Cb 0.00 -1.42 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 1wmq s THR 128 CO 0.00 -0.33 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.20 1wmq s ILE 129 N -1.82 0.27 0.00 2.99 2.07 -0.13 -1.08 121.20 123.50 1wmq s ILE 129 Ca 0.06 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1wmq s ILE 129 Cb -0.07 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.28 1wmq s ILE 129 CO 0.03 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1wmq n GLY 130 N 2.90 0.65 3.80 1.50 0.00 -0.70 -1.57 105.19 111.77 1wmq n GLY 130 Ca -0.13 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1wmq n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmq s ALA 131 N -1.00 2.50 -1.30 4.61 0.00 -0.28 -0.99 121.76 125.30 1wmq s ALA 131 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1wmq s ALA 131 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1wmq s ALA 131 CO 0.00 -1.45 2.36 -0.35 0.00 0.00 0.00 175.76 176.32 1wmq n PRO 132 N -3.27 2.73 -3.68 0.00 -0.04 -1.26 -4.67 135.00 124.81 1wmq n PRO 132 Ca 0.08 -2.19 -0.10 0.00 -0.04 0.00 0.00 63.50 61.25 1wmq n PRO 132 Cb 0.53 -2.97 -0.09 0.00 -0.04 0.00 0.00 33.50 30.93 1wmq n PRO 132 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wmq s ILE 133 N 3.27 -0.01 0.25 0.52 1.01 -1.26 -5.12 121.20 119.86 1wmq s ILE 133 Ca 0.54 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 1wmq s ILE 133 Cb 0.15 -0.74 -0.10 0.00 0.01 0.00 0.00 42.46 41.78 1wmq s ILE 133 CO -0.04 0.02 1.46 -0.75 0.00 0.00 0.00 174.94 175.64 1wmq s LYS 134 N 1.22 4.25 0.00 2.79 2.20 -1.26 -2.63 119.74 126.31 1wmq s LYS 134 Ca -0.08 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1wmq s LYS 134 Cb -0.06 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1wmq s LYS 134 CO -0.12 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 1wmq n GLY 135 N 2.28 3.01 2.88 5.54 0.00 -1.26 -4.92 105.19 112.71 1wmq n GLY 135 Ca 0.07 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1wmq n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wmq n LEU 136 N 0.00 6.55 -3.70 0.99 4.77 -1.08 -4.84 117.00 119.70 1wmq n LEU 136 Ca 0.00 -4.26 -0.09 0.00 -0.03 0.00 0.00 56.01 51.63 1wmq n LEU 136 Cb 0.00 -1.62 -0.02 0.00 -2.33 0.00 0.00 43.42 39.45 1wmq n LEU 136 CO 0.00 1.07 0.43 -1.83 -1.33 0.00 0.00 177.39 175.72 1wmq s GLU 137 N 2.51 1.57 0.22 3.23 -1.05 -1.26 -1.12 118.70 122.80 1wmq s GLU 137 Ca 0.46 -0.80 -0.03 0.00 -0.15 0.00 0.00 54.97 54.45 1wmq s GLU 137 Cb 0.11 0.59 -0.03 0.00 -0.44 0.00 0.00 34.13 34.36 1wmq s GLU 137 CO -0.04 -0.71 0.21 -3.38 0.95 0.00 0.00 175.26 172.29 1wmq s HIS 138 N -3.86 1.03 0.76 4.83 -3.43 -0.61 -4.96 115.29 109.06 1wmq s HIS 138 Ca 0.07 -1.27 -0.12 0.00 -0.80 0.00 0.00 55.06 52.95 1wmq s HIS 138 Cb -0.04 -0.41 0.05 0.00 -1.43 0.00 0.00 32.58 30.75 1wmq s HIS 138 CO -0.01 -0.73 1.11 -1.21 -2.00 0.00 0.00 174.74 171.90 1wmq s GLU 139 N -4.07 2.27 -0.03 -0.38 2.02 -1.26 -0.96 118.70 116.29 1wmq s GLU 139 Ca 0.36 1.29 -0.11 0.00 0.02 0.00 0.00 54.97 56.53 1wmq s GLU 139 Cb 0.05 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.41 1wmq s GLU 139 CO 0.12 -1.65 0.24 -0.08 0.02 0.00 0.00 175.26 173.91 1wmq s THR 140 N -2.70 0.05 0.04 3.63 -1.32 0.14 -4.68 115.64 110.81 1wmq s THR 140 Ca 0.64 -0.45 -0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1wmq s THR 140 Cb -0.19 -0.49 -0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1wmq s THR 140 CO 0.52 -0.25 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.29 1wmq s PHE 141 N -1.02 0.45 -0.28 9.09 0.40 -1.26 -1.85 117.98 123.52 1wmq s PHE 141 Ca -0.11 -0.76 -0.21 0.00 -0.60 0.00 0.00 56.93 55.25 1wmq s PHE 141 Cb -0.05 -0.31 0.09 0.00 0.51 0.00 0.00 43.02 43.26 1wmq s PHE 141 CO 0.02 -0.25 0.80 0.20 0.70 0.00 0.00 175.22 176.69 1wmq s GLY 142 N -2.16 -0.44 -0.04 4.36 0.00 -0.50 -2.48 107.32 106.07 1wmq s GLY 142 Ca -0.04 2.43 0.00 0.00 0.00 0.00 0.00 44.72 47.11 1wmq s GLY 142 CO -0.05 2.11 -0.01 0.14 0.00 0.00 0.00 173.10 175.30 1wmq s VAL 143 N 0.93 0.29 -0.03 1.40 1.01 -1.26 0.03 120.40 122.78 1wmq s VAL 143 Ca -0.04 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1wmq s VAL 143 Cb -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1wmq s VAL 143 CO -0.10 0.19 -0.22 -0.83 0.00 0.00 0.00 175.10 174.14 1wmq s GLY 144 N 1.18 1.08 -0.03 4.51 0.00 -0.24 -4.12 107.32 109.71 1wmq s GLY 144 Ca -0.07 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1wmq s GLY 144 CO -0.02 -0.71 -0.12 -0.42 0.00 0.00 0.00 173.10 171.83 1wmq s ILE 145 N -0.40 1.02 0.10 0.90 1.01 -1.26 -0.98 121.20 121.59 1wmq s ILE 145 Ca 0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1wmq s ILE 145 Cb -0.10 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.51 1wmq s ILE 145 CO 0.00 0.30 0.29 0.21 0.00 0.00 0.00 174.94 175.74 1wmq s ASN 146 N 0.00 -0.05 0.44 3.58 2.47 -0.18 -4.86 114.94 116.35 1wmq s ASN 146 Ca -0.01 -0.49 -0.09 0.00 0.42 0.00 0.00 52.86 52.70 1wmq s ASN 146 Cb -0.08 0.40 -0.05 0.00 -1.45 0.00 0.00 41.25 40.06 1wmq s ASN 146 CO 0.01 -0.78 0.79 -1.38 -3.72 0.00 0.00 177.10 172.01 1wmq s HIS 147 N -3.79 3.51 -1.12 0.43 -3.43 -1.26 0.40 115.29 110.03 1wmq s HIS 147 Ca 0.04 0.98 0.09 0.00 -0.80 0.00 0.00 55.06 55.37 1wmq s HIS 147 Cb 0.03 -2.41 0.07 0.00 -1.43 0.00 0.00 32.58 28.85 1wmq s HIS 147 CO -0.11 -0.19 0.78 -0.89 -2.00 0.00 0.00 174.74 172.33