#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qm4 n GLY 0 N 0.00 0.00 3.28 0.46 0.00 -1.26 -3.41 105.19 104.26 2qm4 n GLY 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qm4 n GLY 0 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qm4 n GLU 2 N 0.46 0.00 -0.21 1.61 1.02 -1.26 -1.84 120.64 120.42 2qm4 n GLU 2 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2qm4 n GLU 2 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 2qm4 n GLU 2 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2qm4 h GLU 3 N 0.00 1.06 -0.90 3.49 5.08 -1.99 -1.34 114.58 119.98 2qm4 h GLU 3 Ca 0.00 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2qm4 h GLU 3 Cb 0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2qm4 h GLU 3 CO 0.00 1.03 0.50 -0.07 -1.00 0.00 0.00 179.01 179.47 2qm4 h LEU 4 N 0.97 1.12 -0.21 1.33 3.38 -1.67 -2.08 115.31 118.16 2qm4 h LEU 4 Ca 0.18 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 2qm4 h LEU 4 Cb 0.54 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2qm4 h LEU 4 CO 0.03 0.90 -0.83 -0.33 0.09 0.00 0.00 178.44 178.29 2qm4 h GLU 5 N 1.26 0.59 -0.38 1.13 4.39 -1.82 -1.94 114.58 117.81 2qm4 h GLU 5 Ca 0.32 -0.53 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 2qm4 h GLU 5 Cb 0.02 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2qm4 h GLU 5 CO -0.05 1.15 0.03 0.37 -1.16 0.00 0.00 179.01 179.35 2qm4 h GLN 6 N 0.38 0.66 -0.53 2.33 4.15 -1.20 -2.16 115.11 118.74 2qm4 h GLN 6 Ca -0.06 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.14 2qm4 h GLN 6 Cb 1.45 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 2qm4 h GLN 6 CO 0.16 0.74 0.23 0.78 -1.93 0.00 0.00 178.83 178.80 2qm4 h GLY 7 N 0.49 0.84 0.66 2.39 0.00 -1.39 -3.00 103.07 103.06 2qm4 h GLY 7 Ca 0.11 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 47.07 2qm4 h GLY 7 CO 0.01 0.42 0.46 -2.00 0.00 0.00 0.00 176.54 175.43 2qm4 h LEU 8 N 0.72 0.70 -2.69 3.11 5.85 -1.21 -2.64 115.31 119.15 2qm4 h LEU 8 Ca 0.18 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2qm4 h LEU 8 Cb 0.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2qm4 h LEU 8 CO -0.02 0.44 0.00 -0.11 -0.34 0.00 0.00 178.44 178.41 2qm4 n LEU 9 N -4.71 0.20 -1.28 2.25 7.94 -0.82 -4.79 117.00 115.79 2qm4 n LEU 9 Ca 0.11 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2qm4 n LEU 9 Cb 0.20 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2qm4 n LEU 9 CO 0.29 0.04 -0.20 0.00 -1.11 0.00 0.00 177.39 176.41 2qm4 n GLN 11 N 1.33 -1.90 -1.72 1.96 1.13 -1.00 -4.80 117.38 112.38 2qm4 n GLN 11 Ca 0.00 1.43 -0.30 0.00 -1.94 0.00 0.00 57.00 56.19 2qm4 n GLN 11 Cb 0.03 -1.95 0.08 0.00 0.11 0.00 0.00 30.24 28.50 2qm4 n GLN 11 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2qm4 s PRO 12 N -3.59 2.19 0.20 -1.09 0.04 -1.26 -5.04 135.00 126.45 2qm4 s PRO 12 Ca 0.00 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.23 2qm4 s PRO 12 Cb 0.00 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 2qm4 s PRO 12 CO 0.00 -1.50 0.79 -1.58 0.04 0.00 0.00 177.00 174.75 2qm4 s TRP 13 N -3.32 3.83 0.27 0.56 0.52 -1.26 -4.61 118.94 114.94 2qm4 s TRP 13 Ca 0.61 1.60 0.09 0.00 0.02 0.00 0.00 56.10 58.42 2qm4 s TRP 13 Cb -0.13 -2.76 -0.05 0.00 -1.15 0.00 0.00 33.47 29.38 2qm4 s TRP 13 CO 0.52 0.44 -0.13 0.00 0.02 0.00 0.00 176.95 177.80 2qm4 s ALA 14 N -1.28 2.53 -0.19 0.98 0.00 0.93 -4.78 121.76 119.94 2qm4 s ALA 14 Ca 0.39 -1.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.44 2qm4 s ALA 14 Cb -0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2qm4 s ALA 14 CO 0.25 0.11 -0.06 -0.46 0.00 0.00 0.00 175.76 175.61 2qm4 s TRP 15 N -2.75 2.95 -0.24 0.00 -0.00 -1.26 -0.46 118.94 117.18 2qm4 s TRP 15 Ca 0.29 -0.75 -0.01 0.00 -0.00 0.00 0.00 56.10 55.63 2qm4 s TRP 15 Cb -0.01 -2.03 0.03 0.00 -0.00 0.00 0.00 33.47 31.46 2qm4 s TRP 15 CO 0.13 -0.39 -0.09 -1.17 -0.00 0.00 0.00 176.95 175.43 2qm4 s LEU 16 N 1.06 3.00 -0.21 5.86 2.96 -0.04 -4.83 118.68 126.49 2qm4 s LEU 16 Ca 0.01 -0.87 -0.27 0.00 -0.22 0.00 0.00 54.13 52.79 2qm4 s LEU 16 Cb -0.15 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 2qm4 s LEU 16 CO -0.00 -0.10 0.92 -1.58 -1.32 0.00 0.00 176.35 174.26 2qm4 s GLN 17 N 1.30 4.25 0.56 1.98 2.00 -1.26 -2.13 119.66 126.36 2qm4 s GLN 17 Ca 0.00 1.14 0.05 0.00 -2.00 0.00 0.00 55.36 54.55 2qm4 s GLN 17 Cb -0.16 -3.62 0.04 0.00 0.80 0.00 0.00 33.01 30.07 2qm4 s GLN 17 CO -0.06 -0.50 0.39 -0.51 -0.50 0.00 0.00 175.29 174.10 2qm4 s LEU 18 N 2.76 2.60 0.09 3.68 1.02 -0.49 -4.88 118.68 123.45 2qm4 s LEU 18 Ca 0.40 -1.32 -0.25 0.00 0.02 0.00 0.00 54.13 52.98 2qm4 s LEU 18 Cb -0.16 -1.08 -0.09 0.00 0.02 0.00 0.00 46.19 44.88 2qm4 s LEU 18 CO 0.09 -1.15 1.41 0.00 0.02 0.00 0.00 176.35 176.72 2qm4 h ALA 19 N 0.74 -0.75 -0.02 4.21 0.00 -1.92 -3.32 119.26 118.19 2qm4 h ALA 19 Ca -0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qm4 h ALA 19 Cb 1.31 0.92 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2qm4 h ALA 19 CO 0.58 -0.91 0.00 -1.91 0.00 0.00 0.00 179.25 177.01 2qm4 n GLU 20 N -4.68 0.03 -2.37 0.00 2.13 -1.26 -5.05 120.64 109.44 2qm4 n GLU 20 Ca -0.04 -0.87 -0.05 0.00 0.66 0.00 0.00 57.16 56.86 2qm4 n GLU 20 Cb 0.27 -1.07 -0.01 0.00 0.27 0.00 0.00 31.44 30.90 2qm4 n GLU 20 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2qm4 n ASN 21 N 0.15 -0.58 -4.23 4.31 6.94 -1.25 -5.18 115.26 115.42 2qm4 n ASN 21 Ca 0.02 -1.68 -0.14 0.00 -0.02 0.00 0.00 54.58 52.76 2qm4 n ASN 21 Cb 0.13 1.05 -0.10 0.00 -2.36 0.00 0.00 39.78 38.49 2qm4 n ASN 21 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2qm4 s SER 22 N -1.80 1.67 -0.00 0.53 1.04 -1.26 -1.39 113.70 112.48 2qm4 s SER 22 Ca 0.10 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.53 2qm4 s SER 22 Cb -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 2qm4 s SER 22 CO 0.07 -0.32 0.07 -0.76 0.98 0.00 0.00 173.24 173.28 2qm4 s LEU 23 N -2.97 1.80 0.08 2.42 1.43 -0.90 -4.80 118.68 115.74 2qm4 s LEU 23 Ca 0.14 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2qm4 s LEU 23 Cb 0.01 0.40 -0.06 0.00 0.03 0.00 0.00 46.19 46.57 2qm4 s LEU 23 CO 0.00 -0.26 0.74 -0.76 0.23 0.00 0.00 176.35 176.30 2qm4 s LEU 24 N -1.03 4.50 -0.01 1.79 1.02 0.18 -0.86 118.68 124.28 2qm4 s LEU 24 Ca -0.11 1.48 -0.12 0.00 0.02 0.00 0.00 54.13 55.40 2qm4 s LEU 24 Cb -0.07 -3.20 0.02 0.00 0.02 0.00 0.00 46.19 42.96 2qm4 s LEU 24 CO 0.00 0.11 0.25 0.00 0.02 0.00 0.00 176.35 176.73 2qm4 s ALA 25 N -0.51 -0.63 0.02 4.21 0.00 0.39 -0.77 121.76 124.46 2qm4 s ALA 25 Ca 0.36 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2qm4 s ALA 25 Cb -0.21 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2qm4 s ALA 25 CO 0.23 -0.24 -0.03 -1.59 0.00 0.00 0.00 175.76 174.14 2qm4 s LYS 26 N -1.33 0.26 0.05 0.00 -2.85 -0.58 -0.05 119.74 115.24 2qm4 s LYS 26 Ca -0.14 -0.49 -0.11 0.00 -1.00 0.00 0.00 55.97 54.23 2qm4 s LYS 26 Cb -0.06 0.06 0.01 0.00 -2.06 0.00 0.00 37.83 35.78 2qm4 s LYS 26 CO 0.03 -0.03 0.23 0.54 0.10 0.00 0.00 175.35 176.22 2qm4 s VAL 27 N -1.15 0.10 -0.16 1.79 0.11 -1.26 -1.40 120.40 118.43 2qm4 s VAL 27 Ca -0.12 -0.85 -0.04 0.00 -2.93 0.00 0.00 61.98 58.03 2qm4 s VAL 27 Cb -0.08 -0.98 0.08 0.00 -1.53 0.00 0.00 36.38 33.86 2qm4 s VAL 27 CO -0.01 -0.47 0.22 0.12 -3.33 0.00 0.00 175.10 171.63 2qm4 s PHE 28 N -2.76 -0.29 -0.08 1.54 5.36 -0.92 -4.89 117.98 115.92 2qm4 s PHE 28 Ca -0.04 0.51 0.04 0.00 -0.96 0.00 0.00 56.93 56.49 2qm4 s PHE 28 Cb -0.00 -0.25 -0.01 0.00 -0.34 0.00 0.00 43.02 42.42 2qm4 s PHE 28 CO -0.05 -0.46 -0.23 0.42 -1.46 0.00 0.00 175.22 173.44 2qm4 s ILE 29 N 2.34 2.18 0.20 3.12 1.01 -1.26 -2.44 121.20 126.35 2qm4 s ILE 29 Ca 0.05 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2qm4 s ILE 29 Cb -0.14 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 2qm4 s ILE 29 CO -0.10 0.56 0.10 0.35 0.00 0.00 0.00 174.94 175.86 2qm4 n THR 30 N 3.25 0.00 0.55 2.92 -2.24 -0.46 -5.03 114.28 113.28 2qm4 n THR 30 Ca -0.18 -1.25 0.10 0.00 -2.27 0.00 0.00 64.05 60.45 2qm4 n THR 30 Cb 0.53 0.51 0.42 0.00 -2.10 0.00 0.00 70.33 69.69 2qm4 n THR 30 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2qm4 n LYS 31 N -0.42 0.08 0.05 -0.78 2.85 -1.26 -2.76 118.16 115.92 2qm4 n LYS 31 Ca -0.00 0.27 0.11 0.00 -1.05 0.00 0.00 58.31 57.64 2qm4 n LYS 31 Cb 0.32 -1.64 0.03 0.00 -0.65 0.00 0.00 35.03 33.09 2qm4 n LYS 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qm4 n GLN 32 N -1.79 0.41 -1.07 -1.58 10.64 -1.26 -4.53 117.38 118.19 2qm4 n GLN 32 Ca 0.04 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 2qm4 n GLN 32 Cb 0.23 -1.67 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 2qm4 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qm4 n GLY 33 N 1.30 0.24 3.18 2.61 0.00 -1.11 -2.79 105.19 108.61 2qm4 n GLY 33 Ca 0.01 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 2qm4 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qm4 s TYR 34 N -3.42 0.09 -0.03 1.61 -0.85 -1.01 -1.35 117.35 112.38 2qm4 s TYR 34 Ca 0.00 -0.35 0.07 0.00 -0.52 0.00 0.00 57.07 56.27 2qm4 s TYR 34 Cb 0.00 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 2qm4 s TYR 34 CO 0.00 -0.44 -0.24 0.00 -1.52 0.00 0.00 175.55 173.35 2qm4 s ALA 35 N -2.78 2.04 -0.03 9.51 0.00 -1.02 -1.43 121.76 128.05 2qm4 s ALA 35 Ca -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2qm4 s ALA 35 Cb -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2qm4 s ALA 35 CO -0.05 0.46 -0.05 -1.17 0.00 0.00 0.00 175.76 174.95 2qm4 s LEU 36 N -0.40 1.59 -0.07 0.00 2.96 0.11 -2.18 118.68 120.69 2qm4 s LEU 36 Ca 0.04 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 2qm4 s LEU 36 Cb -0.11 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.20 2qm4 s LEU 36 CO 0.01 -0.00 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.67 2qm4 s LEU 37 N 0.50 1.73 0.02 -0.68 2.96 -0.50 -1.27 118.68 121.45 2qm4 s LEU 37 Ca -0.06 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2qm4 s LEU 37 Cb -0.10 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 2qm4 s LEU 37 CO -0.00 0.06 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.26 2qm4 s VAL 38 N 0.62 1.05 -0.06 1.68 1.01 0.52 -1.52 120.40 123.70 2qm4 s VAL 38 Ca -0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 2qm4 s VAL 38 Cb -0.16 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.31 2qm4 s VAL 38 CO 0.04 0.11 0.16 -0.55 0.00 0.00 0.00 175.10 174.86 2qm4 s SER 39 N -0.79 -0.16 -0.21 3.32 0.15 0.05 0.36 113.70 116.42 2qm4 s SER 39 Ca 0.03 0.31 0.12 0.00 0.70 0.00 0.00 55.95 57.11 2qm4 s SER 39 Cb -0.07 0.31 0.71 0.00 -1.71 0.00 0.00 66.02 65.26 2qm4 s SER 39 CO 0.00 -0.06 1.59 -0.90 1.20 0.00 0.00 173.24 175.07 2qm4 n ASP 40 N 3.12 5.06 0.00 5.45 5.75 -1.12 -0.64 116.55 134.17 2qm4 n ASP 40 Ca -0.14 -2.82 0.00 0.00 -0.01 0.00 0.00 54.79 51.82 2qm4 n ASP 40 Cb 0.58 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2qm4 n ASP 40 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2qm4 n LEU 41 N 0.49 0.24 -0.14 -2.12 4.32 -1.26 -4.70 117.00 113.84 2qm4 n LEU 41 Ca 0.25 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.95 2qm4 n LEU 41 Cb 1.09 -0.52 -0.10 0.00 -1.62 0.00 0.00 43.42 42.27 2qm4 n LEU 41 CO 0.29 -0.12 -1.36 0.00 -1.22 0.00 0.00 177.39 174.98 2qm4 n GLN 42 N -2.00 0.59 -4.40 3.23 6.02 -1.26 -5.06 117.38 114.50 2qm4 n GLN 42 Ca 0.00 0.29 -0.20 0.00 -0.01 0.00 0.00 57.00 57.09 2qm4 n GLN 42 Cb 0.00 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 29.64 2qm4 n GLN 42 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2qm4 s GLN 43 N -2.49 1.50 -0.04 -1.09 -0.21 -1.26 -5.16 119.66 110.91 2qm4 s GLN 43 Ca -0.38 -1.77 0.04 0.00 0.02 0.00 0.00 55.36 53.27 2qm4 s GLN 43 Cb 0.14 -0.92 -0.00 0.00 1.00 0.00 0.00 33.01 33.22 2qm4 s GLN 43 CO 0.50 -0.05 -0.15 0.08 -2.12 0.00 0.00 175.29 173.55 2qm4 s VAL 44 N -3.20 1.27 0.09 1.09 1.01 -1.26 -2.79 120.40 116.61 2qm4 s VAL 44 Ca 0.30 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.72 2qm4 s VAL 44 Cb 0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2qm4 s VAL 44 CO 0.11 0.37 -0.18 0.26 0.00 0.00 0.00 175.10 175.66 2qm4 s TRP 45 N 0.02 1.55 -0.01 5.22 0.51 0.16 -1.26 118.94 125.12 2qm4 s TRP 45 Ca -0.02 -0.43 0.02 0.00 -2.12 0.00 0.00 56.10 53.54 2qm4 s TRP 45 Cb -0.10 -0.86 -0.00 0.00 -0.81 0.00 0.00 33.47 31.70 2qm4 s TRP 45 CO 0.01 0.14 -0.07 -1.58 -0.51 0.00 0.00 176.95 174.95 2qm4 s HIS 46 N -1.20 0.69 0.05 -1.98 5.65 -1.26 -0.35 115.29 116.88 2qm4 s HIS 46 Ca 0.03 -0.14 0.05 0.00 0.25 0.00 0.00 55.06 55.24 2qm4 s HIS 46 Cb -0.10 -0.48 -0.02 0.00 -1.18 0.00 0.00 32.58 30.80 2qm4 s HIS 46 CO 0.03 -0.05 -0.14 -2.00 -0.65 0.00 0.00 174.74 171.94 2qm4 s GLU 47 N 0.04 0.86 -0.03 2.88 2.12 -0.39 -4.49 118.70 119.69 2qm4 s GLU 47 Ca -0.00 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.51 2qm4 s GLU 47 Cb -0.05 -0.86 0.02 0.00 0.26 0.00 0.00 34.13 33.49 2qm4 s GLU 47 CO -0.00 0.20 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.75 2qm4 s GLN 48 N -1.37 0.53 0.03 4.30 0.74 -1.26 0.08 119.66 122.71 2qm4 s GLN 48 Ca -0.00 -0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.38 2qm4 s GLN 48 Cb -0.09 -0.60 -0.02 0.00 1.10 0.00 0.00 33.01 33.41 2qm4 s GLN 48 CO 0.02 -0.05 -0.09 0.14 -0.55 0.00 0.00 175.29 174.75 2qm4 s VAL 49 N 0.69 0.67 0.48 1.34 -7.23 -0.51 -5.00 120.40 110.84 2qm4 s VAL 49 Ca -0.08 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2qm4 s VAL 49 Cb -0.11 -0.66 0.05 0.00 0.56 0.00 0.00 36.38 36.22 2qm4 s VAL 49 CO -0.01 -0.14 0.41 -0.90 -0.31 0.00 0.00 175.10 174.16 2qm4 n ASP 50 N 1.97 2.40 0.17 4.85 5.68 -1.26 -2.41 116.55 127.96 2qm4 n ASP 50 Ca -0.19 -2.58 0.05 0.00 -0.50 0.00 0.00 54.79 51.56 2qm4 n ASP 50 Cb 0.56 -0.09 0.48 0.00 -1.14 0.00 0.00 41.12 40.92 2qm4 n ASP 50 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2qm4 h THR 51 N 0.55 1.13 -0.09 2.12 1.35 -1.85 -1.08 112.91 115.03 2qm4 h THR 51 Ca -0.29 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 65.00 2qm4 h THR 51 Cb 1.10 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2qm4 h THR 51 CO 0.45 0.17 -0.02 0.28 -0.25 0.00 0.00 175.52 176.15 2qm4 h SER 52 N 0.13 0.18 -0.28 5.36 0.02 -1.96 0.19 113.55 117.18 2qm4 h SER 52 Ca 0.03 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2qm4 h SER 52 Cb 0.26 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2qm4 h SER 52 CO 0.02 0.49 0.11 0.58 -1.14 0.00 0.00 176.83 176.88 2qm4 h VAL 53 N -0.14 1.18 -0.45 2.27 2.07 -1.90 -1.15 116.25 118.13 2qm4 h VAL 53 Ca 0.02 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.06 2qm4 h VAL 53 Cb 0.41 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 2qm4 h VAL 53 CO 0.01 0.19 0.02 0.58 0.02 0.00 0.00 177.57 178.39 2qm4 h VAL 54 N 0.31 0.68 -0.30 2.57 2.07 -1.14 -0.64 116.25 119.81 2qm4 h VAL 54 Ca 0.09 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.63 2qm4 h VAL 54 Cb 0.20 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2qm4 h VAL 54 CO -0.01 0.03 -0.12 -1.28 0.02 0.00 0.00 177.57 176.21 2qm4 h SER 55 N 0.14 -0.40 -0.17 0.57 0.87 -0.32 0.57 113.55 114.81 2qm4 h SER 55 Ca 0.22 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.85 2qm4 h SER 55 Cb 0.32 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2qm4 h SER 55 CO -0.35 -0.15 -0.04 -0.61 -0.53 0.00 0.00 176.83 175.15 2qm4 h GLN 56 N -0.06 0.33 0.03 2.24 -0.00 -0.95 -2.92 115.11 113.77 2qm4 h GLN 56 Ca 0.15 -0.13 -0.19 0.00 -0.00 0.00 0.00 58.65 58.49 2qm4 h GLN 56 Cb 0.29 -0.02 0.02 0.00 0.00 0.00 0.00 27.48 27.77 2qm4 h GLN 56 CO -0.34 0.60 -0.76 -0.09 0.00 0.00 0.00 178.83 178.24 2qm4 h ARG 57 N 0.03 0.46 -0.60 1.69 2.43 -0.99 -1.88 114.38 115.53 2qm4 h ARG 57 Ca 0.04 -0.54 0.05 0.00 -0.81 0.00 0.00 59.98 58.73 2qm4 h ARG 57 Cb 0.48 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 2qm4 h ARG 57 CO 0.02 1.18 0.32 0.00 -1.51 0.00 0.00 179.97 179.98 2qm4 h ALA 58 N 0.30 0.79 -0.56 2.80 0.00 -1.00 -0.74 119.26 120.86 2qm4 h ALA 58 Ca -0.10 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2qm4 h ALA 58 Cb 1.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2qm4 h ALA 58 CO 0.15 -0.01 -0.02 -0.22 0.00 0.00 0.00 179.25 179.15 2qm4 h LYS 59 N 0.60 0.99 -0.75 0.00 1.63 -1.55 -1.02 116.57 116.47 2qm4 h LYS 59 Ca 0.27 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2qm4 h LYS 59 Cb 0.17 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 2qm4 h LYS 59 CO -0.18 1.00 0.44 1.49 -3.45 0.00 0.00 179.45 178.76 2qm4 h GLU 60 N 0.87 1.03 0.00 1.90 4.81 -0.91 -3.15 114.58 119.13 2qm4 h GLU 60 Ca 0.16 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2qm4 h GLU 60 Cb 0.57 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2qm4 h GLU 60 CO 0.03 0.73 -0.94 1.28 -0.73 0.00 0.00 179.01 179.38 2qm4 n LEU 61 N -4.38 0.63 -3.44 1.64 4.77 -0.32 -4.63 117.00 111.28 2qm4 n LEU 61 Ca 0.08 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.84 2qm4 n LEU 61 Cb 0.08 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 40.94 2qm4 n LEU 61 CO 0.37 0.04 -0.24 0.20 -1.33 0.00 0.00 177.39 176.43 2qm4 s ASN 62 N -3.91 2.25 0.00 -1.43 0.01 -0.40 -4.60 114.94 106.87 2qm4 s ASN 62 Ca 0.05 -1.39 0.25 0.00 -0.71 0.00 0.00 52.86 51.05 2qm4 s ASN 62 Cb 0.14 0.13 1.25 0.00 0.41 0.00 0.00 41.25 43.18 2qm4 s ASN 62 CO 0.78 -0.35 1.83 0.29 -1.51 0.00 0.00 177.10 178.14 2qm4 n LYS 63 N 4.76 0.36 0.00 -0.60 5.02 -1.19 -2.50 118.16 124.00 2qm4 n LYS 63 Ca 0.03 0.05 0.10 0.00 -2.02 0.00 0.00 58.31 56.47 2qm4 n LYS 63 Cb 0.43 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2qm4 n LYS 63 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qm4 n ARG 64 N -1.28 1.58 -1.71 1.97 5.12 -1.26 -5.02 116.66 116.06 2qm4 n ARG 64 Ca 0.12 -1.16 -0.43 0.00 -1.93 0.00 0.00 57.85 54.45 2qm4 n ARG 64 Cb 0.20 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 2qm4 n ARG 64 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2qm4 n LEU 65 N 0.32 3.80 -0.18 0.55 -0.00 -1.04 -4.92 117.00 115.53 2qm4 n LEU 65 Ca 0.09 1.08 0.04 0.00 -0.00 0.00 0.00 56.01 57.21 2qm4 n LEU 65 Cb 0.43 -1.54 0.05 0.00 -0.00 0.00 0.00 43.42 42.36 2qm4 n LEU 65 CO 0.20 0.05 0.41 0.35 -0.00 0.00 0.00 177.39 178.40 2qm4 n THR 66 N 3.60 0.87 -3.54 1.96 -2.24 -1.26 -5.02 114.28 108.65 2qm4 n THR 66 Ca 0.15 -1.01 -0.35 0.00 -2.27 0.00 0.00 64.05 60.58 2qm4 n THR 66 Cb 0.33 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 2qm4 n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qm4 s ALA 67 N -1.23 3.70 0.88 6.98 0.00 -1.26 -5.09 121.76 125.75 2qm4 s ALA 67 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 2qm4 s ALA 67 Cb 0.10 -2.32 0.12 0.00 0.00 0.00 0.00 23.12 21.03 2qm4 s ALA 67 CO 0.01 0.54 1.12 -1.25 0.00 0.00 0.00 175.76 176.18 2qm4 s PRO 68 N -1.83 1.31 0.36 0.00 0.04 -1.26 -4.80 135.00 128.81 2qm4 s PRO 68 Ca 0.33 1.34 0.13 0.00 0.04 0.00 0.00 61.00 62.84 2qm4 s PRO 68 Cb -0.14 -1.78 0.95 0.00 0.04 0.00 0.00 34.50 33.57 2qm4 s PRO 68 CO 0.18 -2.36 1.77 -1.35 0.04 0.00 0.00 177.00 175.27 2qm4 h PRO 69 N -1.66 0.52 -0.49 0.56 0.11 -1.94 -2.52 132.00 126.57 2qm4 h PRO 69 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2qm4 h PRO 69 Cb 1.26 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2qm4 h PRO 69 CO 0.46 0.35 0.11 0.00 -0.21 0.00 0.00 178.00 178.70 2qm4 h ALA 70 N 1.65 0.65 -0.81 -0.75 0.00 -1.91 -1.03 119.26 117.07 2qm4 h ALA 70 Ca 0.59 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.32 2qm4 h ALA 70 Cb 1.24 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2qm4 h ALA 70 CO -0.35 0.36 0.52 0.00 0.00 0.00 0.00 179.25 179.77 2qm4 h ALA 71 N 0.98 1.06 -0.49 0.00 0.00 -1.84 -2.53 119.26 116.43 2qm4 h ALA 71 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2qm4 h ALA 71 Cb 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qm4 h ALA 71 CO 0.00 0.34 0.05 0.35 0.00 0.00 0.00 179.25 179.99 2qm4 h PHE 72 N 1.01 0.82 -0.53 0.00 3.04 -1.08 -2.48 116.94 117.72 2qm4 h PHE 72 Ca 0.32 -0.10 -0.10 0.00 3.98 0.00 0.00 57.97 62.07 2qm4 h PHE 72 Cb 0.00 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 2qm4 h PHE 72 CO -0.03 0.73 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.85 2qm4 h LEU 73 N 0.74 0.96 -0.93 0.59 3.38 -1.04 -2.34 115.31 116.67 2qm4 h LEU 73 Ca 0.15 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2qm4 h LEU 73 Cb 0.38 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2qm4 h LEU 73 CO 0.01 1.05 0.55 0.00 0.09 0.00 0.00 178.44 180.14 2qm4 h HIS 75 N 1.29 1.13 -0.40 0.00 -0.00 -1.22 0.63 115.15 116.58 2qm4 h HIS 75 Ca 0.33 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.66 2qm4 h HIS 75 Cb -0.03 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 26.99 2qm4 h HIS 75 CO 0.01 0.65 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.49 2qm4 h LEU 76 N 1.16 0.72 -0.22 0.26 3.38 -0.86 -0.79 115.31 118.96 2qm4 h LEU 76 Ca 0.37 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2qm4 h LEU 76 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2qm4 h LEU 76 CO -0.11 0.87 0.08 -0.78 0.09 0.00 0.00 178.44 178.59 2qm4 h ASP 77 N 0.55 0.31 -0.00 -0.43 3.58 -0.72 0.78 116.42 120.49 2qm4 h ASP 77 Ca 0.11 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2qm4 h ASP 77 Cb 0.52 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2qm4 h ASP 77 CO 0.03 0.40 -0.01 0.78 -2.88 0.00 0.00 179.24 177.56 2qm4 h ASN 78 N 0.20 0.02 0.04 2.28 2.35 0.32 0.27 115.58 121.05 2qm4 h ASN 78 Ca 0.07 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 2qm4 h ASN 78 Cb 0.19 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.56 2qm4 h ASN 78 CO -0.01 0.03 -0.35 0.25 -1.65 0.00 0.00 177.43 175.71 2qm4 h LEU 79 N 0.03 0.24 0.00 1.61 5.85 -0.73 -3.40 115.31 118.91 2qm4 h LEU 79 Ca 0.01 -0.89 -0.14 0.00 0.84 0.00 0.00 57.88 57.70 2qm4 h LEU 79 Cb 0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2qm4 h LEU 79 CO 0.00 1.11 -1.31 -0.07 -0.34 0.00 0.00 178.44 177.83 2qm4 h LEU 80 N -0.59 0.00 -0.19 2.25 3.38 -0.73 -3.39 115.31 116.04 2qm4 h LEU 80 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2qm4 h LEU 80 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2qm4 h LEU 80 CO 0.07 0.48 -0.06 -0.09 0.09 0.00 0.00 178.44 178.93 2qm4 h ARG 81 N 0.00 0.37 -0.99 1.13 2.43 -1.15 -2.33 114.38 113.84 2qm4 h ARG 81 Ca -0.13 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 2qm4 h ARG 81 Cb 1.48 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.96 2qm4 h ARG 81 CO 0.04 0.64 0.66 -1.00 -1.51 0.00 0.00 179.97 178.80 2qm4 h PRO 82 N 0.08 1.28 -0.34 0.20 0.13 -1.79 -2.89 132.00 128.67 2qm4 h PRO 82 Ca 0.05 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.95 2qm4 h PRO 82 Cb 0.51 -0.29 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 2qm4 h PRO 82 CO 0.02 0.84 -0.37 1.25 -0.23 0.00 0.00 178.00 179.52 2qm4 h LEU 83 N 1.32 0.83 -0.74 1.56 5.85 -1.71 -2.83 115.31 119.59 2qm4 h LEU 83 Ca 0.38 -0.37 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2qm4 h LEU 83 Cb -0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 2qm4 h LEU 83 CO -0.10 1.11 -0.55 -0.07 -0.34 0.00 0.00 178.44 178.50 2qm4 h LEU 84 N 0.65 0.26 -0.67 2.25 4.07 -1.49 -3.18 115.31 117.21 2qm4 h LEU 84 Ca 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 2qm4 h LEU 84 Cb 0.92 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 2qm4 h LEU 84 CO 0.08 0.76 0.35 0.11 -1.08 0.00 0.00 178.44 178.66 2qm4 h LYS 85 N 0.18 0.95 -1.89 1.13 6.56 -1.39 -3.43 116.57 118.67 2qm4 h LYS 85 Ca 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2qm4 h LYS 85 Cb 1.02 -0.18 -0.22 0.00 -0.57 0.00 0.00 32.23 32.27 2qm4 h LYS 85 CO 0.08 0.72 0.18 0.16 -2.06 0.00 0.00 179.45 178.54 2qm4 s ASP 86 N -6.01 -0.72 0.00 0.86 -4.77 -1.08 -5.05 116.67 99.89 2qm4 s ASP 86 Ca -0.13 1.31 0.00 0.00 -3.30 0.00 0.00 52.55 50.44 2qm4 s ASP 86 Cb 0.14 1.32 0.00 0.00 -1.09 0.00 0.00 42.92 43.29 2qm4 s ASP 86 CO 0.79 -0.22 0.77 0.00 0.70 0.00 0.00 175.17 177.21 2qm4 n ALA 87 N 3.03 2.37 0.11 2.11 0.00 -1.22 -2.43 120.51 124.47 2qm4 n ALA 87 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 2qm4 n ALA 87 Cb 0.56 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.04 2qm4 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qm4 h ALA 88 N 2.55 0.63 0.00 0.00 0.00 -1.92 -3.48 119.26 117.03 2qm4 h ALA 88 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2qm4 h ALA 88 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qm4 h ALA 88 CO 0.00 0.94 0.00 -2.39 0.00 0.00 0.00 179.25 177.80 2qm4 n HIS 89 N -3.45 0.00 -4.07 0.00 -0.00 -1.02 -4.95 115.22 101.73 2qm4 n HIS 89 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2qm4 n HIS 89 Cb 0.78 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.72 2qm4 n HIS 89 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2qm4 s PRO 90 N 0.00 1.80 0.00 -1.40 0.03 -1.26 -5.08 135.00 129.09 2qm4 s PRO 90 Ca 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 61.00 59.40 2qm4 s PRO 90 Cb 0.00 0.44 0.00 0.00 0.03 0.00 0.00 34.50 34.97 2qm4 s PRO 90 CO 0.00 -0.74 0.00 -1.13 0.03 0.00 0.00 177.00 175.16 2qm4 n SER 91 N -1.11 0.00 0.00 2.53 3.41 -1.26 -4.68 113.62 112.52 2qm4 n SER 91 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qm4 n SER 91 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 2qm4 n SER 91 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2qm4 n GLU 92 N 0.00 0.00 -1.48 4.33 0.28 -1.26 -4.82 120.64 117.69 2qm4 n GLU 92 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 2qm4 n GLU 92 Cb 0.00 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.95 2qm4 n GLU 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qm4 s ALA 93 N -0.95 2.18 -0.07 -1.84 0.00 -1.26 -4.59 121.76 115.23 2qm4 s ALA 93 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2qm4 s ALA 93 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2qm4 s ALA 93 CO 0.00 -1.76 -0.02 -0.08 0.00 0.00 0.00 175.76 173.90 2qm4 s THR 94 N -2.12 0.48 -0.09 0.00 -1.32 0.19 -4.96 115.64 107.81 2qm4 s THR 94 Ca 0.72 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.19 2qm4 s THR 94 Cb -0.26 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 2qm4 s THR 94 CO 0.45 0.26 0.02 -0.36 -2.21 0.00 0.00 174.62 172.78 2qm4 s PHE 95 N 1.66 3.22 0.03 9.09 0.40 -1.26 -1.98 117.98 129.14 2qm4 s PHE 95 Ca 0.01 0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.54 2qm4 s PHE 95 Cb -0.13 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 2qm4 s PHE 95 CO -0.04 0.49 0.01 0.45 0.70 0.00 0.00 175.22 176.82 2qm4 s SER 96 N -0.84 0.29 -0.22 1.36 0.15 0.35 -2.90 113.70 111.90 2qm4 s SER 96 Ca 0.13 -0.65 -0.12 0.00 0.70 0.00 0.00 55.95 56.01 2qm4 s SER 96 Cb -0.11 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.43 2qm4 s SER 96 CO 0.02 -0.44 0.53 0.00 1.20 0.00 0.00 173.24 174.55 2qm4 s ASP 98 N 1.62 -0.17 -0.23 0.00 1.47 -1.03 -4.99 116.67 113.34 2qm4 s ASP 98 Ca -0.09 -0.12 -0.09 0.00 1.18 0.00 0.00 52.55 53.43 2qm4 s ASP 98 Cb -0.07 0.37 -0.04 0.00 -0.34 0.00 0.00 42.92 42.84 2qm4 s ASP 98 CO -0.16 -0.62 0.12 0.00 0.68 0.00 0.00 175.17 175.20 2qm4 s VAL 100 N 1.07 2.41 0.00 0.00 1.01 -0.93 -4.99 120.40 118.96 2qm4 s VAL 100 Ca 0.06 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.20 2qm4 s VAL 100 Cb -0.14 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2qm4 s VAL 100 CO 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 174.88 2qm4 n ALA 101 N 4.42 0.00 1.41 5.51 0.00 -1.26 -0.83 120.51 129.76 2qm4 n ALA 101 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.50 2qm4 n ALA 101 Cb 0.42 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.42 2qm4 n ALA 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qm4 n ASP 102 N 7.08 0.79 -4.94 0.00 9.92 -1.26 -4.94 116.55 123.19 2qm4 n ASP 102 Ca 0.00 -0.86 -0.24 0.00 -0.53 0.00 0.00 54.79 53.17 2qm4 n ASP 102 Cb 0.00 0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2qm4 n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qm4 s ALA 103 N -2.37 3.70 -0.11 2.24 0.00 -0.01 -4.06 121.76 121.15 2qm4 s ALA 103 Ca 0.30 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2qm4 s ALA 103 Cb 0.20 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 21.19 2qm4 s ALA 103 CO 0.46 -0.15 -0.13 -1.17 0.00 0.00 0.00 175.76 174.77 2qm4 s LEU 104 N -4.41 1.58 -0.27 0.00 2.96 -0.83 -2.20 118.68 115.52 2qm4 s LEU 104 Ca 0.43 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2qm4 s LEU 104 Cb -0.10 -1.01 -0.00 0.00 0.50 0.00 0.00 46.19 45.59 2qm4 s LEU 104 CO 0.37 -0.02 0.04 -0.63 -1.32 0.00 0.00 176.35 174.79 2qm4 s ILE 105 N 1.18 3.84 -0.36 6.68 1.01 -0.83 0.06 121.20 132.77 2qm4 s ILE 105 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 2qm4 s ILE 105 Cb -0.14 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2qm4 s ILE 105 CO -0.04 0.21 0.23 -0.22 0.00 0.00 0.00 174.94 175.13 2qm4 s LEU 106 N 1.51 4.67 -0.04 2.97 0.20 0.11 -2.45 118.68 125.65 2qm4 s LEU 106 Ca 0.04 -0.72 -0.03 0.00 0.69 0.00 0.00 54.13 54.10 2qm4 s LEU 106 Cb -0.16 -2.09 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 2qm4 s LEU 106 CO 0.01 -0.33 0.13 -0.13 -0.29 0.00 0.00 176.35 175.75 2qm4 s ARG 107 N 1.65 3.32 -0.00 1.98 0.52 0.13 0.37 118.95 126.92 2qm4 s ARG 107 Ca 0.05 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.96 2qm4 s ARG 107 Cb -0.18 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 2qm4 s ARG 107 CO 0.09 0.70 -0.06 0.54 0.02 0.00 0.00 175.30 176.59 2qm4 s VAL 108 N -1.18 0.47 -0.03 3.52 0.11 0.13 -0.50 120.40 122.92 2qm4 s VAL 108 Ca 0.22 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2qm4 s VAL 108 Cb -0.12 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2qm4 s VAL 108 CO 0.12 0.12 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.30 2qm4 s ARG 109 N -0.19 1.11 0.05 1.54 3.52 -0.84 -2.09 118.95 122.05 2qm4 s ARG 109 Ca 0.02 -0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 55.12 2qm4 s ARG 109 Cb -0.03 -1.01 0.02 0.00 -1.56 0.00 0.00 34.95 32.37 2qm4 s ARG 109 CO -0.00 0.13 0.33 -1.54 -0.81 0.00 0.00 175.30 173.41 2qm4 s SER 110 N 0.17 -0.15 -0.25 -2.12 1.04 -0.79 0.55 113.70 112.15 2qm4 s SER 110 Ca -0.03 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 2qm4 s SER 110 Cb -0.09 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 2qm4 s SER 110 CO 0.01 -0.65 0.17 -1.61 0.98 0.00 0.00 173.24 172.13 2qm4 s GLU 111 N -2.73 4.03 -1.21 4.02 2.02 -1.26 0.22 118.70 123.79 2qm4 s GLU 111 Ca -0.04 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.50 2qm4 s GLU 111 Cb -0.00 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2qm4 s GLU 111 CO -0.04 -0.02 2.09 -0.11 0.02 0.00 0.00 175.26 177.20 2qm4 n LEU 112 N 4.54 5.72 -0.54 1.80 0.00 -1.05 -4.67 117.00 122.79 2qm4 n LEU 112 Ca -0.15 -3.68 0.00 0.00 0.00 0.00 0.00 56.01 52.18 2qm4 n LEU 112 Cb 0.52 -1.48 0.00 0.00 0.00 0.00 0.00 43.42 42.46 2qm4 n LEU 112 CO 0.34 0.48 -0.02 -1.20 0.00 0.00 0.00 177.39 176.99 2qm4 n SER 113 N 6.92 -0.35 0.00 1.96 7.64 -1.26 -3.93 113.62 124.59 2qm4 n SER 113 Ca 0.51 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2qm4 n SER 113 Cb 0.40 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2qm4 n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qm4 n GLY 114 N 0.65 3.53 2.95 0.23 0.00 -1.26 -5.08 105.19 106.21 2qm4 n GLY 114 Ca 0.00 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 2qm4 n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qm4 s LEU 115 N 0.00 1.36 0.52 0.99 1.43 -1.25 -5.11 118.68 116.63 2qm4 s LEU 115 Ca 0.00 -0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 2qm4 s LEU 115 Cb 0.00 -0.78 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 2qm4 s LEU 115 CO 0.00 -0.05 1.34 -2.16 0.23 0.00 0.00 176.35 175.70 2qm4 s PRO 116 N 1.21 3.29 0.04 1.29 0.04 -1.26 -2.54 135.00 137.07 2qm4 s PRO 116 Ca -0.05 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.21 2qm4 s PRO 116 Cb -0.14 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 2qm4 s PRO 116 CO -0.02 -1.05 -0.09 -0.06 0.04 0.00 0.00 177.00 175.81 2qm4 s PHE 117 N -1.33 0.80 -0.02 0.56 0.08 0.13 -4.89 117.98 113.32 2qm4 s PHE 117 Ca 0.69 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.35 2qm4 s PHE 117 Cb -0.39 -0.47 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 2qm4 s PHE 117 CO 0.47 -0.04 -0.09 0.71 -0.10 0.00 0.00 175.22 176.17 2qm4 s TYR 118 N -1.12 0.95 0.01 0.36 1.51 -1.26 -1.89 117.35 115.91 2qm4 s TYR 118 Ca -0.06 -0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2qm4 s TYR 118 Cb -0.09 -0.66 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 2qm4 s TYR 118 CO 0.01 -0.08 -0.00 -0.46 -1.11 0.00 0.00 175.55 173.91 2qm4 s TRP 119 N 0.08 0.19 -0.09 2.71 -0.11 -0.89 -4.76 118.94 116.07 2qm4 s TRP 119 Ca -0.01 -0.40 0.02 0.00 1.22 0.00 0.00 56.10 56.93 2qm4 s TRP 119 Cb -0.07 -0.14 0.01 0.00 -1.50 0.00 0.00 33.47 31.76 2qm4 s TRP 119 CO 0.00 -0.18 -0.16 -0.80 -4.62 0.00 0.00 176.95 171.20 2qm4 s ASN 120 N -1.25 2.33 -0.35 5.86 0.01 -1.26 -0.70 114.94 119.59 2qm4 s ASN 120 Ca -0.14 -0.41 -0.21 0.00 -0.71 0.00 0.00 52.86 51.40 2qm4 s ASN 120 Cb -0.08 -1.06 0.00 0.00 0.41 0.00 0.00 41.25 40.52 2qm4 s ASN 120 CO -0.01 0.05 0.65 -0.36 -1.51 0.00 0.00 177.10 175.92 2qm4 s PHE 121 N 0.77 3.16 -0.40 2.20 0.40 0.16 -4.94 117.98 119.33 2qm4 s PHE 121 Ca -0.11 0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 56.50 2qm4 s PHE 121 Cb -0.16 -3.14 0.04 0.00 0.51 0.00 0.00 43.02 40.27 2qm4 s PHE 121 CO 0.02 -0.61 0.27 -1.01 0.70 0.00 0.00 175.22 174.59 2qm4 s HIS 122 N 2.73 3.25 0.00 0.36 3.76 -1.26 0.07 115.29 124.20 2qm4 s HIS 122 Ca 0.25 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2qm4 s HIS 122 Cb -0.14 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 30.92 2qm4 s HIS 122 CO 0.14 -0.67 0.00 0.00 -0.85 0.00 0.00 174.74 173.37 2qm4 s LEU 125 N 0.00 4.25 0.62 0.00 1.02 -1.26 -1.96 118.68 121.36 2qm4 s LEU 125 Ca 0.00 1.40 -0.18 0.00 0.02 0.00 0.00 54.13 55.37 2qm4 s LEU 125 Cb 0.00 -3.40 -0.02 0.00 0.02 0.00 0.00 46.19 42.79 2qm4 s LEU 125 CO 0.00 -0.36 1.22 0.00 0.02 0.00 0.00 176.35 177.23 2qm4 s ALA 126 N 1.74 2.47 0.57 4.21 0.00 -0.39 -4.69 121.76 125.68 2qm4 s ALA 126 Ca 0.44 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 2qm4 s ALA 126 Cb -0.18 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2qm4 s ALA 126 CO 0.18 -1.31 1.06 -1.54 0.00 0.00 0.00 175.76 174.14 2qm4 s SER 127 N -1.64 5.87 0.28 0.00 1.04 -1.26 -4.87 113.70 113.12 2qm4 s SER 127 Ca 0.78 1.85 0.00 0.00 0.48 0.00 0.00 55.95 59.05 2qm4 s SER 127 Cb -0.31 -2.54 0.52 0.00 0.10 0.00 0.00 66.02 63.79 2qm4 s SER 127 CO 0.36 -1.11 1.84 -0.65 0.98 0.00 0.00 173.24 174.66 2qm4 h PRO 128 N 0.64 0.97 -0.92 4.02 0.11 -1.99 -1.71 132.00 133.12 2qm4 h PRO 128 Ca -0.47 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.64 2qm4 h PRO 128 Cb 1.22 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 2qm4 h PRO 128 CO 0.58 0.64 0.60 1.03 -0.21 0.00 0.00 178.00 180.63 2qm4 h SER 129 N 1.00 0.92 -0.09 -2.05 0.87 -1.99 -0.15 113.55 112.06 2qm4 h SER 129 Ca 0.48 0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.81 2qm4 h SER 129 Cb 0.44 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2qm4 h SER 129 CO -0.25 0.59 -0.87 -0.07 -0.53 0.00 0.00 176.83 175.69 2qm4 h LEU 130 N 1.04 0.92 -0.96 2.23 3.38 -1.71 -1.30 115.31 118.92 2qm4 h LEU 130 Ca 0.39 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2qm4 h LEU 130 Cb 0.19 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2qm4 h LEU 130 CO -0.15 1.46 0.60 0.58 0.09 0.00 0.00 178.44 181.02 2qm4 h VAL 131 N 0.46 1.26 -0.22 1.22 2.07 -1.03 -0.21 116.25 119.80 2qm4 h VAL 131 Ca -0.08 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 2qm4 h VAL 131 Cb 1.52 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2qm4 h VAL 131 CO 0.18 0.26 -0.20 -1.28 0.02 0.00 0.00 177.57 176.55 2qm4 h SER 132 N 1.32 0.57 -0.32 0.57 0.87 -0.98 -1.89 113.55 113.69 2qm4 h SER 132 Ca 0.35 -0.47 -0.13 0.00 -1.23 0.00 0.00 61.79 60.31 2qm4 h SER 132 Cb -0.09 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2qm4 h SER 132 CO -0.07 0.92 -0.31 1.56 -0.53 0.00 0.00 176.83 178.40 2qm4 h GLN 133 N 0.23 0.78 0.00 2.24 4.20 -1.09 -0.75 115.11 120.72 2qm4 h GLN 133 Ca 0.04 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2qm4 h GLN 133 Cb 0.75 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2qm4 h GLN 133 CO 0.05 1.04 -0.81 0.45 -0.67 0.00 0.00 178.83 178.89 2qm4 h HIS 134 N 0.55 0.00 0.00 2.96 3.86 -1.14 -3.40 115.15 117.98 2qm4 h HIS 134 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2qm4 h HIS 134 Cb 0.89 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2qm4 h HIS 134 CO 0.07 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.14 2qm4 n LEU 135 N -2.43 0.10 0.32 2.43 4.77 -0.77 -4.82 117.00 116.59 2qm4 n LEU 135 Ca 0.02 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 2qm4 n LEU 135 Cb 0.50 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2qm4 n LEU 135 CO 0.38 -0.57 0.65 0.40 -1.33 0.00 0.00 177.39 176.92 2qm4 h ILE 136 N 0.00 0.32 -0.07 -0.08 2.04 -1.32 -1.16 117.51 117.25 2qm4 h ILE 136 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2qm4 h ILE 136 Cb 0.00 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2qm4 h ILE 136 CO 0.00 0.00 0.01 0.03 0.00 0.00 0.00 178.15 178.19 2qm4 h ARG 137 N -0.84 0.11 -0.80 2.37 3.08 -1.41 -2.89 114.38 113.99 2qm4 h ARG 137 Ca -0.07 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2qm4 h ARG 137 Cb 0.67 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 2qm4 h ARG 137 CO 0.08 0.32 0.53 -1.35 -1.07 0.00 0.00 179.97 178.48 2qm4 h PRO 138 N -0.12 1.01 -1.09 0.04 0.11 -1.76 0.69 132.00 130.87 2qm4 h PRO 138 Ca 0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2qm4 h PRO 138 Cb 0.26 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2qm4 h PRO 138 CO 0.00 0.67 0.00 1.28 -0.21 0.00 0.00 178.00 179.74 2qm4 n LEU 139 N -4.43 0.86 -0.43 2.35 4.77 -0.44 -4.60 117.00 115.07 2qm4 n LEU 139 Ca 0.10 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2qm4 n LEU 139 Cb 0.07 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2qm4 n LEU 139 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2qm4 n GLY 141 N 0.59 -0.02 1.16 -0.72 0.00 0.23 -4.65 105.19 101.78 2qm4 n GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qm4 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qm4 n SER 143 N 0.27 0.00 -0.20 1.61 7.64 -1.26 -1.24 113.62 120.44 2qm4 n SER 143 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2qm4 n SER 143 Cb 0.02 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.24 2qm4 n SER 143 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2qm4 h LEU 144 N 0.00 1.05 -0.24 -3.43 3.38 -1.95 -1.85 115.31 112.27 2qm4 h LEU 144 Ca 0.00 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2qm4 h LEU 144 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2qm4 h LEU 144 CO 0.00 1.12 0.08 0.00 0.09 0.00 0.00 178.44 179.72 2qm4 h ALA 145 N 0.98 0.31 -0.09 1.53 0.00 -1.57 -2.27 119.26 118.15 2qm4 h ALA 145 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2qm4 h ALA 145 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qm4 h ALA 145 CO 0.04 -0.06 -0.32 -0.07 0.00 0.00 0.00 179.25 178.83 2qm4 h LEU 146 N 0.22 0.18 -0.53 0.00 3.38 -1.82 -1.16 115.31 115.57 2qm4 h LEU 146 Ca 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2qm4 h LEU 146 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2qm4 h LEU 146 CO -0.00 0.50 0.13 -0.61 0.09 0.00 0.00 178.44 178.55 2qm4 h GLN 147 N 0.15 0.85 -0.73 1.13 5.75 -1.16 -0.65 115.11 120.45 2qm4 h GLN 147 Ca 0.02 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2qm4 h GLN 147 Cb 0.65 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.04 2qm4 h GLN 147 CO 0.05 0.80 0.46 0.00 -2.65 0.00 0.00 178.83 177.49 2qm4 h GLN 149 N 0.89 -0.02 -0.59 0.00 4.20 -0.83 -1.52 115.11 117.25 2qm4 h GLN 149 Ca 0.30 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.10 2qm4 h GLN 149 Cb 0.03 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.75 2qm4 h GLN 149 CO -0.12 -0.01 0.21 0.28 -0.67 0.00 0.00 178.83 178.52 2qm4 h VAL 150 N -0.02 0.77 -0.45 -0.54 2.07 -0.72 -1.36 116.25 116.00 2qm4 h VAL 150 Ca 0.10 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 2qm4 h VAL 150 Cb 0.16 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2qm4 h VAL 150 CO -0.21 0.07 -0.04 0.03 0.02 0.00 0.00 177.57 177.44 2qm4 h ARG 151 N 0.38 0.75 -0.46 1.57 3.08 -0.99 -0.42 114.38 118.29 2qm4 h ARG 151 Ca 0.29 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2qm4 h ARG 151 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2qm4 h ARG 151 CO -0.30 0.79 -0.01 0.93 -1.07 0.00 0.00 179.97 180.30 2qm4 h GLU 152 N 0.70 0.83 -0.52 0.04 5.08 -0.86 -1.86 114.58 117.98 2qm4 h GLU 152 Ca 0.13 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2qm4 h GLU 152 Cb 0.48 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2qm4 h GLU 152 CO 0.02 0.88 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.82 2qm4 h LEU 153 N 0.68 0.92 -0.42 1.33 3.38 -1.12 -0.18 115.31 119.89 2qm4 h LEU 153 Ca 0.13 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qm4 h LEU 153 Cb 0.52 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2qm4 h LEU 153 CO 0.03 1.02 0.03 0.00 0.09 0.00 0.00 178.44 179.60 2qm4 h ALA 154 N 0.94 0.42 -0.36 1.53 0.00 -1.06 0.15 119.26 120.88 2qm4 h ALA 154 Ca 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2qm4 h ALA 154 Cb 0.56 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2qm4 h ALA 154 CO 0.03 -0.37 0.18 1.15 0.00 0.00 0.00 179.25 180.24 2qm4 h THR 155 N 0.14 1.15 -0.98 0.00 2.02 -1.08 -1.65 112.91 112.52 2qm4 h THR 155 Ca 0.21 -0.43 0.10 0.00 0.77 0.00 0.00 66.41 67.06 2qm4 h THR 155 Cb 0.29 0.78 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 2qm4 h THR 155 CO -0.33 0.16 0.61 -0.07 0.37 0.00 0.00 175.52 176.27 2qm4 h LEU 156 N 0.44 0.92 -0.74 2.58 4.07 -0.71 -2.55 115.31 119.33 2qm4 h LEU 156 Ca 0.12 0.04 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 2qm4 h LEU 156 Cb 0.09 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 2qm4 h LEU 156 CO -0.02 0.53 0.16 -0.07 -1.08 0.00 0.00 178.44 177.96 2qm4 h LEU 157 N 1.02 1.06 -2.40 1.67 3.38 0.02 -2.69 115.31 117.36 2qm4 h LEU 157 Ca 0.46 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2qm4 h LEU 157 Cb 0.37 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qm4 h LEU 157 CO -0.24 1.02 0.00 1.41 0.09 0.00 0.00 178.44 180.72 2qm4 n HIS 158 N -4.23 0.00 0.00 1.13 8.25 -0.69 -2.32 115.22 117.36 2qm4 n HIS 158 Ca 0.05 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2qm4 n HIS 158 Cb 0.27 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2qm4 n HIS 158 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qm4 n LYS 160 N 1.05 0.00 0.15 -0.41 5.02 -1.02 -1.78 118.16 121.17 2qm4 n LYS 160 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 2qm4 n LYS 160 Cb 0.20 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.57 2qm4 n LYS 160 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2qm4 h ASP 161 N 0.00 0.12 -0.49 4.39 3.32 -1.75 0.34 116.42 122.34 2qm4 h ASP 161 Ca 0.00 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 2qm4 h ASP 161 Cb 0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2qm4 h ASP 161 CO 0.00 0.41 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.72 2qm4 h LEU 162 N 0.11 0.99 0.01 1.55 3.38 -1.66 -0.70 115.31 118.99 2qm4 h LEU 162 Ca 0.02 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2qm4 h LEU 162 Cb 0.57 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qm4 h LEU 162 CO 0.04 1.12 -0.01 -0.08 0.09 0.00 0.00 178.44 179.60 2qm4 h GLU 163 N 0.87 -0.02 -0.84 1.13 4.81 -1.68 0.15 114.58 118.99 2qm4 h GLU 163 Ca 0.13 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2qm4 h GLU 163 Cb 0.70 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 2qm4 h GLU 163 CO 0.05 0.27 0.50 0.82 -0.73 0.00 0.00 179.01 179.93 2qm4 h ILE 164 N -0.31 0.98 -0.94 2.32 2.04 -1.01 -1.54 117.51 119.05 2qm4 h ILE 164 Ca -0.00 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2qm4 h ILE 164 Cb 0.30 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 2qm4 h ILE 164 CO 0.00 0.16 0.61 -0.61 0.00 0.00 0.00 178.15 178.32 2qm4 h GLN 165 N 0.89 1.10 -0.67 2.37 4.15 -0.81 -2.06 115.11 120.08 2qm4 h GLN 165 Ca 0.39 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.75 2qm4 h GLN 165 Cb 0.26 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 2qm4 h GLN 165 CO -0.21 0.73 0.43 0.22 -1.93 0.00 0.00 178.83 178.07 2qm4 h ASP 166 N 1.13 0.74 -0.22 -0.69 3.58 0.32 -2.40 116.42 118.88 2qm4 h ASP 166 Ca 0.39 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.69 2qm4 h ASP 166 Cb 0.09 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2qm4 h ASP 166 CO -0.13 0.53 -0.32 1.88 -2.88 0.00 0.00 179.24 178.32 2qm4 h TYR 167 N 0.87 0.85 -0.20 0.28 0.05 -1.14 -3.31 116.97 114.37 2qm4 h TYR 167 Ca 0.25 -0.22 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 2qm4 h TYR 167 Cb -0.06 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 2qm4 h TYR 167 CO -0.03 0.95 -0.14 1.96 -1.05 0.00 0.00 178.16 179.85 2qm4 h GLN 168 N 0.62 0.45 -0.87 4.88 4.20 -1.11 -3.09 115.11 120.19 2qm4 h GLN 168 Ca 0.07 -0.21 0.19 0.00 0.06 0.00 0.00 58.65 58.75 2qm4 h GLN 168 Cb 0.84 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.55 2qm4 h GLN 168 CO 0.07 0.76 0.57 0.93 -0.67 0.00 0.00 178.83 180.50 2qm4 h GLU 169 N 0.13 0.41 0.00 1.46 4.39 -1.53 -3.41 114.58 116.03 2qm4 h GLU 169 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2qm4 h GLU 169 Cb 0.65 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2qm4 h GLU 169 CO 0.04 0.27 0.00 0.43 -1.16 0.00 0.00 179.01 178.59 2qm4 n SER 170 N -4.50 -0.05 0.03 1.42 7.64 -1.17 -4.96 113.62 112.03 2qm4 n SER 170 Ca 0.18 -0.03 0.13 0.00 1.01 0.00 0.00 58.87 60.16 2qm4 n SER 170 Cb 0.64 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.21 2qm4 n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qm4 n GLY 171 N 2.69 -1.45 3.69 0.23 0.00 -1.26 -4.99 105.19 104.10 2qm4 n GLY 171 Ca 0.00 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2qm4 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qm4 n ALA 172 N -1.63 1.34 -2.52 4.61 0.00 -1.24 -5.03 120.51 116.03 2qm4 n ALA 172 Ca 0.05 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.70 2qm4 n ALA 172 Cb 0.38 -2.28 -0.11 0.00 0.00 0.00 0.00 19.45 17.44 2qm4 n ALA 172 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2qm4 s THR 173 N -0.62 1.25 0.19 0.00 -1.32 -1.26 -4.71 115.64 109.16 2qm4 s THR 173 Ca 0.61 -1.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.14 2qm4 s THR 173 Cb -0.59 -1.44 -0.08 0.00 -1.51 0.00 0.00 72.50 68.88 2qm4 s THR 173 CO 0.56 -0.41 0.98 -0.76 -2.21 0.00 0.00 174.62 172.78 2qm4 s LEU 174 N -2.35 4.57 0.24 9.08 1.02 -1.26 -4.96 118.68 125.03 2qm4 s LEU 174 Ca 0.07 1.94 0.04 0.00 0.02 0.00 0.00 54.13 56.20 2qm4 s LEU 174 Cb -0.05 -3.60 0.25 0.00 0.02 0.00 0.00 46.19 42.80 2qm4 s LEU 174 CO 0.02 0.02 1.56 0.40 0.02 0.00 0.00 176.35 178.37 2qm4 h ILE 175 N 3.51 1.38 -3.56 -0.59 1.08 -2.04 -3.40 117.51 113.89 2qm4 h ILE 175 Ca -0.44 -1.97 -0.64 0.00 -0.39 0.00 0.00 64.86 61.42 2qm4 h ILE 175 Cb 1.21 1.99 -0.40 0.00 -3.07 0.00 0.00 36.82 36.55 2qm4 h ILE 175 CO 0.70 0.58 -0.73 -0.13 -0.69 0.00 0.00 178.15 177.88 2qm4 s ARG 176 N -3.77 1.31 0.36 2.37 0.52 -1.26 -5.01 118.95 113.47 2qm4 s ARG 176 Ca -0.04 -1.66 0.11 0.00 -0.52 0.00 0.00 55.73 53.62 2qm4 s ARG 176 Cb 0.12 -2.90 0.88 0.00 0.52 0.00 0.00 34.95 33.57 2qm4 s ARG 176 CO 0.80 -0.94 1.82 -0.44 0.02 0.00 0.00 175.30 176.56 2qm4 h ASP 177 N 7.74 0.63 0.37 0.23 3.32 -2.01 -1.92 116.42 124.77 2qm4 h ASP 177 Ca -0.07 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qm4 h ASP 177 Cb 1.02 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2qm4 h ASP 177 CO 0.51 0.25 0.00 0.08 -1.72 0.00 0.00 179.24 178.35 2qm4 h ARG 178 N 0.62 0.00 -0.00 3.56 0.11 -1.98 -2.54 114.38 114.15 2qm4 h ARG 178 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 2qm4 h ARG 178 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 2qm4 h ARG 178 CO -0.27 0.00 -0.11 1.28 0.10 0.00 0.00 179.97 180.97 2qm4 n LEU 179 N -2.35 0.40 -4.63 0.08 4.77 -0.72 -4.81 117.00 109.72 2qm4 n LEU 179 Ca 0.00 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 2qm4 n LEU 179 Cb 0.14 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2qm4 n LEU 179 CO 0.16 0.07 1.54 -0.75 -1.33 0.00 0.00 177.39 177.08 2qm4 s LYS 180 N -2.52 3.76 0.33 3.23 2.20 -0.96 -4.99 119.74 120.78 2qm4 s LYS 180 Ca 0.28 2.03 -0.04 0.00 -0.36 0.00 0.00 55.97 57.88 2qm4 s LYS 180 Cb 0.20 -4.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 2qm4 s LYS 180 CO 0.48 -1.36 0.59 0.95 -0.36 0.00 0.00 175.35 175.65 2qm4 s THR 181 N 5.63 5.02 0.16 3.43 -4.23 -1.26 -5.08 115.64 119.31 2qm4 s THR 181 Ca 0.83 -0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 61.05 2qm4 s THR 181 Cb -0.32 -3.77 -0.08 0.00 1.34 0.00 0.00 72.50 69.67 2qm4 s THR 181 CO 0.34 -0.44 0.87 -1.61 -0.54 0.00 0.00 174.62 173.24 2qm4 s GLU 182 N -3.85 4.69 0.03 3.99 2.02 -1.26 -4.99 118.70 119.33 2qm4 s GLU 182 Ca 0.44 1.33 -0.36 0.00 0.02 0.00 0.00 54.97 56.39 2qm4 s GLU 182 Cb -0.10 -3.31 -0.15 0.00 0.10 0.00 0.00 34.13 30.66 2qm4 s GLU 182 CO 0.33 0.44 1.51 -0.35 0.02 0.00 0.00 175.26 177.20 2qm4 n PRO 183 N 1.98 1.47 -2.14 0.39 -0.04 -1.26 -4.88 135.00 130.53 2qm4 n PRO 183 Ca -0.02 0.53 -0.41 0.00 -0.04 0.00 0.00 63.50 63.56 2qm4 n PRO 183 Cb 0.48 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 2qm4 n PRO 183 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2qm4 s PHE 184 N 1.38 3.12 -0.07 0.54 5.36 -1.26 -5.01 117.98 122.03 2qm4 s PHE 184 Ca 0.86 1.31 -0.03 0.00 -0.96 0.00 0.00 56.93 58.11 2qm4 s PHE 184 Cb -0.89 -3.67 0.04 0.00 -0.34 0.00 0.00 43.02 38.16 2qm4 s PHE 184 CO 0.48 -1.96 0.09 -2.00 -1.46 0.00 0.00 175.22 170.37 2qm4 s GLU 185 N -1.10 -0.03 0.09 10.12 2.12 -1.26 -4.92 118.70 123.72 2qm4 s GLU 185 Ca 0.53 0.33 -0.18 0.00 0.36 0.00 0.00 54.97 56.00 2qm4 s GLU 185 Cb -0.39 -0.71 -0.08 0.00 0.26 0.00 0.00 34.13 33.21 2qm4 s GLU 185 CO 0.47 -0.39 1.54 0.93 -0.54 0.00 0.00 175.26 177.26 2qm4 h GLU 186 N 8.42 0.45 -0.01 4.30 5.08 -1.99 -1.49 114.58 129.34 2qm4 h GLU 186 Ca -0.13 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2qm4 h GLU 186 Cb 1.13 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2qm4 h GLU 186 CO 0.18 0.60 0.00 -0.91 -1.00 0.00 0.00 179.01 177.88 2qm4 h ASN 187 N 0.23 0.01 0.17 1.42 2.35 -1.99 -2.09 115.58 115.68 2qm4 h ASN 187 Ca 0.07 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 2qm4 h ASN 187 Cb 0.39 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2qm4 h ASN 187 CO 0.01 0.14 -0.28 0.77 -1.65 0.00 0.00 177.43 176.42 2qm4 h SER 188 N -0.12 0.19 -0.34 5.81 4.64 -1.98 -0.05 113.55 121.70 2qm4 h SER 188 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qm4 h SER 188 Cb 0.13 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2qm4 h SER 188 CO -0.00 0.48 0.22 0.15 -0.87 0.00 0.00 176.83 176.81 2qm4 h PHE 189 N 0.17 0.43 -0.51 4.77 3.57 -1.07 -2.13 116.94 122.18 2qm4 h PHE 189 Ca 0.03 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 2qm4 h PHE 189 Cb 0.59 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2qm4 h PHE 189 CO 0.01 0.28 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.11 2qm4 h LEU 190 N 0.45 1.04 -0.51 0.59 3.38 -0.86 -1.93 115.31 117.47 2qm4 h LEU 190 Ca 0.12 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2qm4 h LEU 190 Cb -0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2qm4 h LEU 190 CO -0.03 1.19 0.18 -0.08 0.09 0.00 0.00 178.44 179.79 2qm4 h GLU 191 N 0.89 0.78 -0.44 1.13 4.81 -0.96 -2.85 114.58 117.94 2qm4 h GLU 191 Ca 0.12 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2qm4 h GLU 191 Cb 0.76 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2qm4 h GLU 191 CO 0.06 0.71 -0.16 0.37 -0.73 0.00 0.00 179.01 179.27 2qm4 h GLN 192 N 0.69 0.84 -0.23 1.92 4.15 -1.36 -2.59 115.11 118.53 2qm4 h GLN 192 Ca 0.17 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2qm4 h GLN 192 Cb 0.25 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2qm4 h GLN 192 CO -0.01 0.94 0.00 0.34 -1.93 0.00 0.00 178.83 178.17 2qm4 n PHE 193 N -4.13 0.00 0.00 3.99 -0.00 -0.73 -1.02 117.46 115.56 2qm4 n PHE 193 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2qm4 n PHE 193 Cb 0.41 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 39.87 2qm4 n PHE 193 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2qm4 n ILE 195 N 0.47 0.00 -0.10 -2.13 5.41 -0.98 -0.55 119.36 121.48 2qm4 n ILE 195 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 2qm4 n ILE 195 Cb 0.03 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.81 2qm4 n ILE 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2qm4 n GLU 196 N 0.00 0.68 -0.07 0.38 1.02 -0.19 -4.76 120.64 117.69 2qm4 n GLU 196 Ca 0.00 0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 2qm4 n GLU 196 Cb 0.00 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 29.78 2qm4 n GLU 196 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qm4 n LYS 197 N -2.92 1.33 -0.18 3.49 4.01 0.28 -4.79 118.16 119.37 2qm4 n LYS 197 Ca -0.35 0.03 -0.07 0.00 -0.51 0.00 0.00 58.31 57.40 2qm4 n LYS 197 Cb 1.11 -1.35 0.02 0.00 -0.51 0.00 0.00 35.03 34.30 2qm4 n LYS 197 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2qm4 h LEU 198 N 0.00 0.65 -0.61 -0.35 5.85 -1.23 -0.05 115.31 119.57 2qm4 h LEU 198 Ca -0.37 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.38 2qm4 h LEU 198 Cb 1.75 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 42.50 2qm4 h LEU 198 CO -0.01 0.54 -0.29 -0.65 -0.34 0.00 0.00 178.44 177.70 2qm4 h PRO 199 N 0.70 -0.12 0.04 5.25 0.11 -1.87 -1.08 132.00 135.02 2qm4 h PRO 199 Ca 0.18 0.01 -0.22 0.00 0.11 0.00 0.00 66.00 66.08 2qm4 h PRO 199 Cb 0.04 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 2qm4 h PRO 199 CO -0.03 -0.08 -1.02 0.93 -0.21 0.00 0.00 178.00 177.59 2qm4 h GLU 200 N -0.12 0.12 0.00 1.05 4.39 -1.87 -3.28 114.58 114.86 2qm4 h GLU 200 Ca 0.26 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 2qm4 h GLU 200 Cb 0.54 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2qm4 h GLU 200 CO -0.68 1.03 -0.23 0.00 -1.16 0.00 0.00 179.01 177.97 2qm4 h ALA 201 N 0.90 1.48 -0.02 3.43 0.00 -0.51 -2.82 119.26 121.71 2qm4 h ALA 201 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qm4 h ALA 201 Cb 1.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2qm4 h ALA 201 CO 0.15 0.29 -0.06 0.00 0.00 0.00 0.00 179.25 179.63 2qm4 s SER 203 N -2.08 6.60 0.27 0.00 0.15 -1.07 -4.88 113.70 112.70 2qm4 s SER 203 Ca 0.30 1.94 0.22 0.00 0.70 0.00 0.00 55.95 59.12 2qm4 s SER 203 Cb 0.20 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 62.08 2qm4 s SER 203 CO 0.35 -1.02 1.22 0.16 1.20 0.00 0.00 173.24 175.14 2qm4 h ILE 204 N 5.77 0.02 0.00 6.45 3.07 -1.91 -3.48 117.51 127.43 2qm4 h ILE 204 Ca -0.35 -1.04 0.00 0.00 1.55 0.00 0.00 64.86 65.01 2qm4 h ILE 204 Cb 1.16 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 2qm4 h ILE 204 CO 0.97 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 178.70 2qm4 n GLY 205 N 1.16 2.74 0.42 0.16 0.00 -1.26 -1.28 105.19 107.12 2qm4 n GLY 205 Ca 0.01 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2qm4 n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qm4 n ASP 206 N 3.02 1.65 0.00 1.61 5.75 -1.26 -4.91 116.55 122.41 2qm4 n ASP 206 Ca 0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 2qm4 n ASP 206 Cb 0.00 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 2qm4 n ASP 206 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qm4 n GLY 207 N 1.37 0.72 0.19 6.12 0.00 -0.40 -4.80 105.19 108.39 2qm4 n GLY 207 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 2qm4 n GLY 207 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qm4 h LYS 208 N 2.26 0.35 -0.78 1.61 3.64 -1.91 -2.65 116.57 119.09 2qm4 h LYS 208 Ca 0.00 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.52 2qm4 h LYS 208 Cb 0.00 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 31.63 2qm4 h LYS 208 CO 0.00 0.23 0.29 -1.35 -2.27 0.00 0.00 179.45 176.35 2qm4 h PRO 209 N 0.36 0.37 -0.19 1.90 0.11 -1.92 -2.67 132.00 129.96 2qm4 h PRO 209 Ca 0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2qm4 h PRO 209 Cb 0.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 2qm4 h PRO 209 CO -0.19 0.25 0.10 0.35 -0.21 0.00 0.00 178.00 178.29 2qm4 h PHE 210 N 0.38 0.26 0.00 0.65 3.57 -1.80 -1.25 116.94 118.77 2qm4 h PHE 210 Ca 0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.94 2qm4 h PHE 210 Cb 0.75 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2qm4 h PHE 210 CO -0.19 0.26 0.00 0.28 -2.23 0.00 0.00 178.31 176.44 2qm4 n VAL 211 N -4.89 0.00 0.00 1.41 0.31 -1.01 -1.41 118.33 112.74 2qm4 n VAL 211 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2qm4 n VAL 211 Cb 0.08 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2qm4 n VAL 211 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qm4 n ASN 213 N 0.34 0.00 -0.01 4.52 3.02 -0.47 -4.24 115.26 118.43 2qm4 n ASN 213 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2qm4 n ASN 213 Cb 0.02 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.19 2qm4 n ASN 213 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qm4 n LEU 214 N -0.29 1.59 0.07 3.41 4.77 -0.50 -4.77 117.00 121.27 2qm4 n LEU 214 Ca 0.00 -1.63 -0.06 0.00 -0.03 0.00 0.00 56.01 54.30 2qm4 n LEU 214 Cb 0.00 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2qm4 n LEU 214 CO 0.00 0.40 0.19 1.56 -1.33 0.00 0.00 177.39 178.22 2qm4 h GLN 215 N 0.00 0.00 -0.14 3.23 1.08 -1.74 -0.43 115.11 117.12 2qm4 h GLN 215 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qm4 h GLN 215 Cb 0.63 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2qm4 h GLN 215 CO 0.00 0.92 0.09 -0.44 -0.95 0.00 0.00 178.83 178.45 2qm4 h ASP 216 N 0.00 0.15 -0.32 1.46 3.32 -1.92 -3.04 116.42 116.06 2qm4 h ASP 216 Ca -0.01 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2qm4 h ASP 216 Cb 1.70 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.20 2qm4 h ASP 216 CO 0.12 0.11 0.06 0.25 -1.72 0.00 0.00 179.24 178.06 2qm4 h LEU 217 N 0.18 0.50 -0.40 1.55 5.85 -1.88 -2.48 115.31 118.63 2qm4 h LEU 217 Ca 0.05 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2qm4 h LEU 217 Cb -0.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2qm4 h LEU 217 CO -0.01 0.63 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 2qm4 n TYR 218 N -4.62 0.00 0.00 1.25 4.19 -0.18 -1.90 117.16 115.91 2qm4 n TYR 218 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 2qm4 n TYR 218 Cb 0.21 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.04 2qm4 n TYR 218 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2qm4 n ALA 220 N -0.04 0.00 -0.02 2.98 0.00 -0.94 -1.93 120.51 120.57 2qm4 n ALA 220 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2qm4 n ALA 220 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2qm4 n ALA 220 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qm4 h VAL 221 N 0.00 1.56 -0.12 0.00 2.07 -1.67 -2.65 116.25 115.45 2qm4 h VAL 221 Ca 0.00 -2.11 -0.07 0.00 0.82 0.00 0.00 66.70 65.34 2qm4 h VAL 221 Cb 0.00 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2qm4 h VAL 221 CO 0.00 0.58 -0.24 0.71 0.02 0.00 0.00 177.57 178.64 2qm4 h THR 222 N -0.51 1.23 -0.37 2.57 1.35 -1.66 -1.24 112.91 114.27 2qm4 h THR 222 Ca -0.05 -1.05 -0.09 0.00 -0.55 0.00 0.00 66.41 64.67 2qm4 h THR 222 Cb 1.14 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.95 2qm4 h THR 222 CO 0.07 0.32 -0.13 0.74 -0.25 0.00 0.00 175.52 176.26 2qm4 h THR 223 N 0.19 1.25 -0.33 6.82 2.02 -1.82 -2.67 112.91 118.38 2qm4 h THR 223 Ca 0.03 -1.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 2qm4 h THR 223 Cb 0.53 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2qm4 h THR 223 CO 0.04 0.38 -0.07 -0.61 0.37 0.00 0.00 175.52 175.64 2qm4 h GLN 224 N 0.61 0.62 0.00 6.66 5.75 -0.99 -3.23 115.11 124.52 2qm4 h GLN 224 Ca 0.10 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2qm4 h GLN 224 Cb 0.58 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2qm4 h GLN 224 CO 0.04 0.79 0.00 0.93 -2.65 0.00 0.00 178.83 177.94 2qm4 h GLU 225 N 0.40 0.00 -5.91 1.69 5.08 -1.08 -3.38 114.58 111.38 2qm4 h GLU 225 Ca 0.08 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.84 2qm4 h GLU 225 Cb 0.55 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 2qm4 h GLU 225 CO 0.03 0.00 1.77 0.08 -1.00 0.00 0.00 179.01 179.89 2qm4 s VAL 226 N -3.35 3.96 0.00 3.13 1.01 -1.02 -5.10 120.40 119.03 2qm4 s VAL 226 Ca 0.05 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.70 2qm4 s VAL 226 Cb 0.09 -5.03 0.00 0.00 0.00 0.00 0.00 36.38 31.44 2qm4 s VAL 226 CO 0.56 -1.85 0.00 1.67 0.00 0.00 0.00 175.10 175.48