#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 2.01 5.00 0.00 -1.26 -2.33 105.19 108.60 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 0.60 0.00 0.18 1.61 1.02 -1.26 -2.29 120.64 120.50 2qm4 n GLU 2 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2qm4 n GLU 2 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 31.77 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 0.02 -0.47 3.49 5.08 -1.90 -0.78 114.58 120.02 2qm4 h GLU 3 Ca 0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2qm4 h GLU 3 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2qm4 h GLU 3 CO 0.00 0.39 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.28 2qm4 h LEU 4 N 0.02 0.86 -0.45 1.33 3.38 -1.75 -1.59 115.31 117.11 2qm4 h LEU 4 Ca -0.00 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 2qm4 h LEU 4 Cb 0.67 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qm4 h LEU 4 CO 0.05 0.99 -0.63 -0.33 0.09 0.00 0.00 178.44 178.61 2qm4 h GLU 5 N 0.72 0.51 0.65 1.13 4.39 -1.81 -0.24 114.58 119.93 2qm4 h GLU 5 Ca 0.13 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 2qm4 h GLU 5 Cb 0.58 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2qm4 h GLU 5 CO 0.03 0.98 -0.33 1.96 -1.16 0.00 0.00 179.01 180.50 2qm4 h GLN 6 N 0.37 -0.86 -0.98 2.33 1.08 -1.14 -2.44 115.11 113.48 2qm4 h GLN 6 Ca -0.01 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.35 2qm4 h GLN 6 Cb 1.19 0.19 -0.08 0.00 -0.05 0.00 0.00 27.48 28.74 2qm4 h GLN 6 CO 0.12 -0.57 0.62 0.78 -0.95 0.00 0.00 178.83 178.83 2qm4 h GLY 7 N -0.89 1.52 1.17 3.46 0.00 -1.22 -2.50 103.07 104.62 2qm4 h GLY 7 Ca -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2qm4 h GLY 7 CO 0.13 0.21 0.29 -2.00 0.00 0.00 0.00 176.54 175.18 2qm4 h LEU 8 N 1.01 0.97 -1.55 3.11 5.85 -0.87 -3.00 115.31 120.83 2qm4 h LEU 8 Ca 0.46 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2qm4 h LEU 8 Cb 0.40 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2qm4 h LEU 8 CO -0.22 0.86 0.00 -0.11 -0.34 0.00 0.00 178.44 178.63 2qm4 n LEU 9 N -4.29 0.00 -1.24 2.25 7.94 -0.93 -4.83 117.00 115.89 2qm4 n LEU 9 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2qm4 n LEU 9 Cb 0.18 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.13 2qm4 n LEU 9 CO 0.40 0.00 -0.17 0.00 -1.11 0.00 0.00 177.39 176.51 2qm4 n GLN 11 N 0.68 -1.59 -1.93 1.96 1.13 -1.14 -4.79 117.38 111.70 2qm4 n GLN 11 Ca 0.00 1.21 -0.29 0.00 -1.94 0.00 0.00 57.00 55.98 2qm4 n GLN 11 Cb 0.00 -1.77 0.08 0.00 0.11 0.00 0.00 30.24 28.67 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 -3.88 2.07 0.06 -1.09 0.04 -1.26 -5.03 135.00 125.91 2qm4 s PRO 12 Ca 0.00 0.10 -0.22 0.00 0.04 0.00 0.00 61.00 60.92 2qm4 s PRO 12 Cb 0.00 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2qm4 s PRO 12 CO 0.00 -1.51 0.67 -1.58 0.04 0.00 0.00 177.00 174.62 2qm4 s TRP 13 N -3.53 3.77 0.24 0.56 0.52 -1.26 -4.58 118.94 114.67 2qm4 s TRP 13 Ca 0.61 1.37 0.08 0.00 0.02 0.00 0.00 56.10 58.18 2qm4 s TRP 13 Cb -0.11 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.51 2qm4 s TRP 13 CO 0.49 0.42 0.07 0.00 0.02 0.00 0.00 176.95 177.96 2qm4 s ALA 14 N -0.58 3.34 -0.02 0.98 0.00 0.12 -4.74 121.76 120.86 2qm4 s ALA 14 Ca 0.33 -1.49 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 2qm4 s ALA 14 Cb -0.20 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2qm4 s ALA 14 CO 0.21 0.32 0.29 -0.46 0.00 0.00 0.00 175.76 176.11 2qm4 s TRP 15 N -2.11 3.62 -0.18 0.00 -0.00 -1.26 -0.66 118.94 118.34 2qm4 s TRP 15 Ca 0.31 0.70 -0.02 0.00 -0.00 0.00 0.00 56.10 57.10 2qm4 s TRP 15 Cb -0.08 -2.08 0.05 0.00 -0.00 0.00 0.00 33.47 31.37 2qm4 s TRP 15 CO 0.22 0.64 0.00 -1.17 -0.00 0.00 0.00 176.95 176.64 2qm4 s LEU 16 N -1.41 1.37 -0.00 5.86 2.96 0.82 -4.80 118.68 123.48 2qm4 s LEU 16 Ca 0.24 -0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 2qm4 s LEU 16 Cb -0.14 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.79 2qm4 s LEU 16 CO 0.13 -0.26 1.25 -1.58 -1.32 0.00 0.00 176.35 174.57 2qm4 s GLN 17 N 1.77 4.36 0.49 1.98 2.00 -1.26 -1.60 119.66 127.40 2qm4 s GLN 17 Ca -0.01 1.78 0.03 0.00 -2.00 0.00 0.00 55.36 55.17 2qm4 s GLN 17 Cb -0.16 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.13 2qm4 s GLN 17 CO -0.07 -0.42 0.07 -0.51 -0.50 0.00 0.00 175.29 173.86 2qm4 s LEU 18 N 1.90 2.51 0.13 3.68 1.02 -0.74 -4.70 118.68 122.48 2qm4 s LEU 18 Ca 0.59 -1.51 -0.28 0.00 0.02 0.00 0.00 54.13 52.95 2qm4 s LEU 18 Cb -0.28 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 45.01 2qm4 s LEU 18 CO 0.25 -0.80 1.59 0.00 0.02 0.00 0.00 176.35 177.42 2qm4 h ALA 19 N 1.34 -0.52 0.00 4.21 0.00 -1.72 -3.38 119.26 119.19 2qm4 h ALA 19 Ca -0.43 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2qm4 h ALA 19 Cb 1.30 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2qm4 h ALA 19 CO 0.73 -0.88 -0.99 -0.85 0.00 0.00 0.00 179.25 177.25 2qm4 n GLU 20 N -5.43 0.52 0.00 0.00 -0.00 -1.26 -5.07 120.64 109.39 2qm4 n GLU 20 Ca -0.04 0.30 0.00 0.00 -0.00 0.00 0.00 57.16 57.42 2qm4 n GLU 20 Cb 0.35 -1.51 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 2qm4 n GLU 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2qm4 n ASN 21 N -4.48 0.00 -3.95 -1.84 5.15 -1.26 -5.17 115.26 103.70 2qm4 n ASN 21 Ca -0.16 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.73 2qm4 n ASN 21 Cb 0.49 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.66 2qm4 n ASN 21 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2qm4 s SER 22 N 0.00 0.14 0.05 1.20 1.04 -1.26 -1.79 113.70 113.09 2qm4 s SER 22 Ca 0.00 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.61 2qm4 s SER 22 Cb 0.00 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2qm4 s SER 22 CO 0.00 -0.79 -0.07 -0.76 0.98 0.00 0.00 173.24 172.61 2qm4 s LEU 23 N -2.93 2.34 0.12 2.42 1.43 -0.63 -4.84 118.68 116.59 2qm4 s LEU 23 Ca 0.13 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.29 2qm4 s LEU 23 Cb 0.05 -0.08 -0.07 0.00 0.03 0.00 0.00 46.19 46.12 2qm4 s LEU 23 CO -0.05 -0.32 0.73 -0.76 0.23 0.00 0.00 176.35 176.18 2qm4 s LEU 24 N -2.05 4.55 -0.08 1.79 1.02 -0.24 -0.12 118.68 123.54 2qm4 s LEU 24 Ca -0.04 1.52 -0.07 0.00 0.02 0.00 0.00 54.13 55.56 2qm4 s LEU 24 Cb -0.05 -3.19 0.02 0.00 0.02 0.00 0.00 46.19 43.00 2qm4 s LEU 24 CO -0.02 0.18 0.21 0.00 0.02 0.00 0.00 176.35 176.75 2qm4 s ALA 25 N -0.91 -0.53 -0.00 4.21 0.00 0.16 -1.13 121.76 123.57 2qm4 s ALA 25 Ca 0.35 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.96 2qm4 s ALA 25 Cb -0.22 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 2qm4 s ALA 25 CO 0.24 -0.11 -0.05 -1.59 0.00 0.00 0.00 175.76 174.25 2qm4 s LYS 26 N 0.22 0.41 0.01 0.00 -2.85 -0.08 0.11 119.74 117.55 2qm4 s LYS 26 Ca -0.01 -0.20 -0.06 0.00 -1.00 0.00 0.00 55.97 54.71 2qm4 s LYS 26 Cb -0.02 -0.39 -0.00 0.00 -2.06 0.00 0.00 37.83 35.36 2qm4 s LYS 26 CO -0.01 0.11 0.10 0.54 0.10 0.00 0.00 175.35 176.19 2qm4 s VAL 27 N -0.16 0.09 -0.07 1.79 0.11 -1.26 -0.71 120.40 120.19 2qm4 s VAL 27 Ca 0.02 -0.72 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2qm4 s VAL 27 Cb -0.02 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2qm4 s VAL 27 CO -0.00 -0.40 -0.01 0.12 -3.33 0.00 0.00 175.10 171.48 2qm4 s PHE 28 N -1.37 0.71 -0.09 1.54 5.36 -0.23 -4.91 117.98 118.97 2qm4 s PHE 28 Ca -0.15 -0.20 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 2qm4 s PHE 28 Cb -0.08 -0.79 0.01 0.00 -0.34 0.00 0.00 43.02 41.82 2qm4 s PHE 28 CO 0.01 -0.31 -0.20 0.42 -1.46 0.00 0.00 175.22 173.68 2qm4 s ILE 29 N 1.77 1.79 0.12 3.12 1.01 -1.26 -1.76 121.20 125.99 2qm4 s ILE 29 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2qm4 s ILE 29 Cb -0.13 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2qm4 s ILE 29 CO -0.04 0.50 0.04 0.35 0.00 0.00 0.00 174.94 175.79 2qm4 n THR 30 N 3.68 0.00 0.31 2.92 -2.24 -0.35 -5.02 114.28 113.58 2qm4 n THR 30 Ca -0.20 -0.70 0.13 0.00 -2.27 0.00 0.00 64.05 61.01 2qm4 n THR 30 Cb 0.52 0.25 0.60 0.00 -2.10 0.00 0.00 70.33 69.60 2qm4 n THR 30 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2qm4 h LYS 31 N 0.00 0.00 0.00 -0.78 6.56 -1.96 -3.11 116.57 117.28 2qm4 h LYS 31 Ca -0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2qm4 h LYS 31 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 2qm4 h LYS 31 CO 0.15 0.00 -0.97 1.04 -2.06 0.00 0.00 179.45 177.61 2qm4 n GLN 32 N -2.42 0.29 -1.99 3.15 1.13 -1.26 -4.54 117.38 111.73 2qm4 n GLN 32 Ca 0.01 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2qm4 n GLN 32 Cb 0.18 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.92 2qm4 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qm4 n GLY 33 N 1.36 0.25 3.15 1.08 0.00 -1.18 -2.95 105.19 106.90 2qm4 n GLY 33 Ca 0.02 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.00 0.81 -0.06 1.61 -0.85 -1.00 -1.22 117.35 113.64 2qm4 s TYR 34 Ca 0.00 -1.08 0.02 0.00 -0.52 0.00 0.00 57.07 55.49 2qm4 s TYR 34 Cb 0.00 -0.49 0.01 0.00 0.38 0.00 0.00 41.96 41.86 2qm4 s TYR 34 CO 0.00 -0.35 -0.12 0.00 -1.52 0.00 0.00 175.55 173.56 2qm4 s ALA 35 N -3.86 1.19 -0.03 9.51 0.00 -0.72 -1.81 121.76 126.03 2qm4 s ALA 35 Ca 0.16 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.78 2qm4 s ALA 35 Cb 0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2qm4 s ALA 35 CO -0.03 0.12 -0.19 -1.17 0.00 0.00 0.00 175.76 174.49 2qm4 s LEU 36 N 0.61 1.98 -0.10 0.00 2.96 0.20 -1.07 118.68 123.26 2qm4 s LEU 36 Ca -0.13 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2qm4 s LEU 36 Cb -0.15 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.53 2qm4 s LEU 36 CO 0.03 0.19 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.89 2qm4 s LEU 37 N -0.16 1.68 0.13 -0.68 2.96 0.12 -1.83 118.68 120.89 2qm4 s LEU 37 Ca 0.00 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 2qm4 s LEU 37 Cb -0.10 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 2qm4 s LEU 37 CO 0.01 0.02 -0.22 0.68 -1.32 0.00 0.00 176.35 175.51 2qm4 s VAL 38 N 0.93 1.93 -0.03 1.68 -7.23 -0.22 -0.90 120.40 116.55 2qm4 s VAL 38 Ca -0.08 -1.69 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 2qm4 s VAL 38 Cb -0.15 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.04 2qm4 s VAL 38 CO -0.00 -0.06 0.23 -0.55 -0.31 0.00 0.00 175.10 174.41 2qm4 s SER 39 N -2.12 -0.13 -0.19 4.85 0.15 -0.29 -0.28 113.70 115.69 2qm4 s SER 39 Ca 0.11 0.10 0.16 0.00 0.70 0.00 0.00 55.95 57.02 2qm4 s SER 39 Cb -0.09 0.33 0.62 0.00 -1.71 0.00 0.00 66.02 65.17 2qm4 s SER 39 CO 0.05 -0.31 1.53 -0.90 1.20 0.00 0.00 173.24 174.81 2qm4 n ASP 40 N 1.83 4.47 0.00 5.45 5.75 -1.01 -1.08 116.55 131.96 2qm4 n ASP 40 Ca -0.19 -2.97 0.00 0.00 -0.01 0.00 0.00 54.79 51.61 2qm4 n ASP 40 Cb 0.56 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.13 0.51 -0.03 -2.12 4.77 -1.26 -4.71 117.00 114.03 2qm4 n LEU 41 Ca 0.23 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.16 2qm4 n LEU 41 Cb 0.98 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2qm4 n LEU 41 CO 0.21 -0.39 -0.68 0.00 -1.33 0.00 0.00 177.39 175.19 2qm4 n GLN 42 N -1.45 0.12 -4.31 3.23 6.02 -1.26 -5.08 117.38 114.65 2qm4 n GLN 42 Ca 0.00 0.05 -0.17 0.00 -0.01 0.00 0.00 57.00 56.86 2qm4 n GLN 42 Cb 0.14 -0.78 -0.10 0.00 1.02 0.00 0.00 30.24 30.51 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 -2.10 1.24 -0.05 -1.09 -0.21 -1.26 -5.15 119.66 111.03 2qm4 s GLN 43 Ca -0.07 -1.53 0.05 0.00 0.02 0.00 0.00 55.36 53.83 2qm4 s GLN 43 Cb 0.03 -0.98 -0.01 0.00 1.00 0.00 0.00 33.01 33.06 2qm4 s GLN 43 CO 0.10 0.16 -0.20 0.08 -2.12 0.00 0.00 175.29 173.31 2qm4 s VAL 44 N -3.00 1.66 0.23 1.09 1.01 -1.26 -2.40 120.40 117.73 2qm4 s VAL 44 Ca 0.20 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.45 2qm4 s VAL 44 Cb -0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2qm4 s VAL 44 CO 0.05 0.47 -0.22 0.26 0.00 0.00 0.00 175.10 175.66 2qm4 s TRP 45 N -0.01 2.25 0.00 5.22 0.51 0.61 -1.58 118.94 125.94 2qm4 s TRP 45 Ca -0.05 -0.36 0.01 0.00 -2.12 0.00 0.00 56.10 53.58 2qm4 s TRP 45 Cb -0.13 -1.05 -0.00 0.00 -0.81 0.00 0.00 33.47 31.48 2qm4 s TRP 45 CO 0.03 0.58 -0.02 -1.58 -0.51 0.00 0.00 176.95 175.44 2qm4 s HIS 46 N -2.09 0.20 -0.01 -1.98 5.65 -1.26 -1.06 115.29 114.74 2qm4 s HIS 46 Ca 0.24 -0.08 0.02 0.00 0.25 0.00 0.00 55.06 55.49 2qm4 s HIS 46 Cb -0.06 -0.13 -0.00 0.00 -1.18 0.00 0.00 32.58 31.21 2qm4 s HIS 46 CO 0.12 -0.02 -0.05 -2.00 -0.65 0.00 0.00 174.74 172.14 2qm4 s GLU 47 N -0.19 0.47 -0.08 2.88 2.12 -0.76 -4.48 118.70 118.66 2qm4 s GLU 47 Ca -0.01 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.17 2qm4 s GLU 47 Cb -0.02 -0.46 0.01 0.00 0.26 0.00 0.00 34.13 33.92 2qm4 s GLU 47 CO -0.00 0.09 -0.13 -1.14 -0.54 0.00 0.00 175.26 173.54 2qm4 s GLN 48 N 0.00 1.85 0.04 4.30 0.74 -1.26 -0.62 119.66 124.71 2qm4 s GLN 48 Ca 0.00 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 55.00 2qm4 s GLN 48 Cb -0.04 -1.54 -0.02 0.00 1.10 0.00 0.00 33.01 32.51 2qm4 s GLN 48 CO -0.00 0.01 -0.11 0.14 -0.55 0.00 0.00 175.29 174.78 2qm4 s VAL 49 N 0.74 0.87 0.06 1.34 -7.23 -0.75 -5.02 120.40 110.40 2qm4 s VAL 49 Ca -0.13 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 2qm4 s VAL 49 Cb -0.16 -0.83 0.01 0.00 0.56 0.00 0.00 36.38 35.96 2qm4 s VAL 49 CO 0.03 -0.13 0.08 -0.90 -0.31 0.00 0.00 175.10 173.87 2qm4 n ASP 50 N 1.80 0.19 0.08 4.85 5.68 -1.26 -2.39 116.55 125.50 2qm4 n ASP 50 Ca -0.19 -1.14 -0.11 0.00 -0.50 0.00 0.00 54.79 52.85 2qm4 n ASP 50 Cb 0.55 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.03 1.46 -0.74 2.12 1.35 -1.86 -2.60 112.91 112.61 2qm4 h THR 51 Ca -0.03 -2.58 0.13 0.00 -0.55 0.00 0.00 66.41 63.39 2qm4 h THR 51 Cb 0.12 2.47 -0.09 0.00 -1.73 0.00 0.00 68.15 68.92 2qm4 h THR 51 CO 0.04 0.76 0.31 0.28 -0.25 0.00 0.00 175.52 176.65 2qm4 h SER 52 N 0.15 0.31 -0.22 5.36 0.02 -1.97 -0.92 113.55 116.28 2qm4 h SER 52 Ca -0.06 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.83 2qm4 h SER 52 Cb 1.55 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 2qm4 h SER 52 CO 0.15 0.14 -0.46 0.58 -1.14 0.00 0.00 176.83 176.10 2qm4 h VAL 53 N 0.47 1.29 -0.46 2.27 2.07 -1.93 -1.25 116.25 118.70 2qm4 h VAL 53 Ca 0.39 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 66.28 2qm4 h VAL 53 Cb 0.56 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2qm4 h VAL 53 CO -0.37 0.54 0.29 0.58 0.02 0.00 0.00 177.57 178.62 2qm4 h VAL 54 N 0.63 1.07 0.04 2.57 2.07 -1.15 -0.82 116.25 120.66 2qm4 h VAL 54 Ca 0.04 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2qm4 h VAL 54 Cb 1.03 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2qm4 h VAL 54 CO 0.10 0.10 -0.02 0.28 0.02 0.00 0.00 177.57 178.05 2qm4 h SER 55 N 0.58 -0.05 0.23 0.57 0.02 -1.03 -0.50 113.55 113.37 2qm4 h SER 55 Ca 0.18 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2qm4 h SER 55 Cb -0.01 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2qm4 h SER 55 CO -0.07 0.09 -0.42 1.56 -1.14 0.00 0.00 176.83 176.85 2qm4 h GLN 56 N -0.19 -0.71 -0.04 3.45 1.08 -1.17 -2.41 115.11 115.12 2qm4 h GLN 56 Ca -0.01 0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.09 2qm4 h GLN 56 Cb 0.17 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2qm4 h GLN 56 CO 0.01 -0.47 -0.66 -0.09 -0.95 0.00 0.00 178.83 176.67 2qm4 h ARG 57 N -0.73 0.19 -0.42 1.46 2.43 -1.17 -2.52 114.38 113.61 2qm4 h ARG 57 Ca -0.00 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 2qm4 h ARG 57 Cb 0.71 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2qm4 h ARG 57 CO -0.18 0.78 0.01 0.00 -1.51 0.00 0.00 179.97 179.08 2qm4 h ALA 58 N 1.18 1.24 -0.50 2.80 0.00 -1.06 -2.12 119.26 120.80 2qm4 h ALA 58 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2qm4 h ALA 58 Cb 1.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2qm4 h ALA 58 CO 0.10 0.51 -0.05 -0.22 0.00 0.00 0.00 179.25 179.59 2qm4 h LYS 59 N 0.64 0.88 -0.57 0.00 1.63 -1.28 -1.56 116.57 116.31 2qm4 h LYS 59 Ca 0.13 -0.27 -0.07 0.00 -0.85 0.00 0.00 60.65 59.59 2qm4 h LYS 59 Cb 0.38 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2qm4 h LYS 59 CO 0.01 0.91 0.08 0.93 -3.45 0.00 0.00 179.45 177.92 2qm4 h GLU 60 N 0.81 0.96 0.00 1.90 5.08 -1.23 -3.32 114.58 118.77 2qm4 h GLU 60 Ca 0.14 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2qm4 h GLU 60 Cb 0.55 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2qm4 h GLU 60 CO 0.03 0.92 -1.18 1.28 -1.00 0.00 0.00 179.01 179.07 2qm4 n LEU 61 N -4.31 0.57 -3.70 1.33 4.77 -0.82 -4.84 117.00 110.00 2qm4 n LEU 61 Ca 0.02 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 2qm4 n LEU 61 Cb 0.28 -0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.15 2qm4 n LEU 61 CO 0.42 0.01 -0.34 0.20 -1.33 0.00 0.00 177.39 176.35 2qm4 s ASN 62 N -4.22 3.82 0.16 -1.43 -0.87 -0.59 -4.63 114.94 107.18 2qm4 s ASN 62 Ca 0.01 -1.48 0.15 0.00 -1.57 0.00 0.00 52.86 49.98 2qm4 s ASN 62 Cb 0.14 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.25 40.56 2qm4 s ASN 62 CO 0.82 -0.41 1.11 0.11 -2.57 0.00 0.00 177.10 176.17 2qm4 h LYS 63 N 8.16 0.00 -0.00 -0.60 1.79 -1.84 -3.40 116.57 120.67 2qm4 h LYS 63 Ca -0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2qm4 h LYS 63 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2qm4 h LYS 63 CO 0.45 0.42 -0.22 0.54 -1.08 0.00 0.00 179.45 179.56 2qm4 n ARG 64 N -3.06 0.12 -3.76 3.15 1.74 -1.26 -4.89 116.66 108.70 2qm4 n ARG 64 Ca -0.04 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 2qm4 n ARG 64 Cb 0.80 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 2qm4 n ARG 64 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2qm4 s LEU 65 N -2.91 -0.13 0.07 0.55 2.34 -1.26 -5.09 118.68 112.25 2qm4 s LEU 65 Ca 0.15 -0.50 -0.06 0.00 0.06 0.00 0.00 54.13 53.78 2qm4 s LEU 65 Cb 0.19 2.40 -0.01 0.00 -0.56 0.00 0.00 46.19 48.20 2qm4 s LEU 65 CO 0.59 -1.16 0.11 0.28 -1.06 0.00 0.00 176.35 175.11 2qm4 s THR 66 N -3.89 0.17 -0.01 5.48 -1.32 -1.26 -4.91 115.64 109.90 2qm4 s THR 66 Ca 0.10 -1.39 -0.29 0.00 -1.21 0.00 0.00 61.69 58.89 2qm4 s THR 66 Cb -0.03 -1.39 0.10 0.00 -1.51 0.00 0.00 72.50 69.67 2qm4 s THR 66 CO 0.01 -0.77 1.00 0.00 -2.21 0.00 0.00 174.62 172.65 2qm4 s ALA 67 N -3.86 -1.88 0.64 11.08 0.00 -1.26 -5.15 121.76 121.33 2qm4 s ALA 67 Ca 0.05 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 2qm4 s ALA 67 Cb 0.06 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 2qm4 s ALA 67 CO -0.11 -0.77 1.22 -2.14 0.00 0.00 0.00 175.76 173.97 2qm4 s PRO 68 N -2.95 2.66 0.20 0.00 0.02 -1.26 -4.86 135.00 128.82 2qm4 s PRO 68 Ca 0.08 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 62.79 2qm4 s PRO 68 Cb -0.01 -1.89 0.20 0.00 0.02 0.00 0.00 34.50 32.83 2qm4 s PRO 68 CO -0.06 -1.45 1.61 -1.00 -0.33 0.00 0.00 177.00 175.77 2qm4 h PRO 69 N 0.48 -0.07 -0.93 5.54 0.13 -1.94 -1.73 132.00 133.48 2qm4 h PRO 69 Ca -0.50 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.84 2qm4 h PRO 69 Cb 1.30 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 2qm4 h PRO 69 CO 0.53 -0.05 0.61 0.00 -0.23 0.00 0.00 178.00 178.86 2qm4 h ALA 70 N 1.38 2.11 -0.34 -0.56 0.00 -1.92 0.20 119.26 120.13 2qm4 h ALA 70 Ca 0.28 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 2qm4 h ALA 70 Cb 0.51 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qm4 h ALA 70 CO -0.67 -0.41 -0.47 0.00 0.00 0.00 0.00 179.25 177.70 2qm4 h ALA 71 N 1.61 0.52 -0.58 0.00 0.00 -1.68 0.51 119.26 119.65 2qm4 h ALA 71 Ca 0.49 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qm4 h ALA 71 Cb 1.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2qm4 h ALA 71 CO -0.22 0.68 0.27 0.74 0.00 0.00 0.00 179.25 180.73 2qm4 h PHE 72 N 0.72 0.84 -0.80 0.00 0.04 -0.97 -2.07 116.94 114.70 2qm4 h PHE 72 Ca 0.04 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2qm4 h PHE 72 Cb 1.08 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.93 2qm4 h PHE 72 CO 0.07 0.65 0.39 -0.07 -0.60 0.00 0.00 178.31 178.75 2qm4 h LEU 73 N 0.79 1.04 -0.43 1.54 3.38 -0.83 -2.08 115.31 118.72 2qm4 h LEU 73 Ca 0.20 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qm4 h LEU 73 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2qm4 h LEU 73 CO -0.02 0.87 0.27 0.00 0.09 0.00 0.00 178.44 179.65 2qm4 h HIS 75 N 0.56 0.08 -0.74 0.00 -0.00 -1.11 -1.53 115.15 112.41 2qm4 h HIS 75 Ca 0.16 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.68 2qm4 h HIS 75 Cb -0.04 -0.03 -0.10 0.00 -0.00 0.00 0.00 27.41 27.25 2qm4 h HIS 75 CO -0.05 0.13 0.27 -0.07 -0.00 0.00 0.00 177.93 178.21 2qm4 h LEU 76 N 0.01 0.22 -0.10 0.26 3.38 -1.36 -0.16 115.31 117.55 2qm4 h LEU 76 Ca 0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qm4 h LEU 76 Cb 0.08 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qm4 h LEU 76 CO -0.00 0.07 0.07 -0.78 0.09 0.00 0.00 178.44 177.89 2qm4 h ASP 77 N 0.40 0.12 -0.65 -0.43 3.58 -1.26 -0.25 116.42 117.93 2qm4 h ASP 77 Ca 0.41 -0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.96 2qm4 h ASP 77 Cb 0.64 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 2qm4 h ASP 77 CO -0.42 0.11 0.44 0.78 -2.88 0.00 0.00 179.24 177.27 2qm4 h ASN 78 N 0.12 0.31 0.06 2.28 2.35 -0.59 0.51 115.58 120.61 2qm4 h ASN 78 Ca 0.04 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2qm4 h ASN 78 Cb 0.01 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2qm4 h ASN 78 CO -0.01 0.17 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.85 2qm4 h LEU 79 N 0.34 -0.06 -0.34 1.61 3.38 -0.77 -3.38 115.31 116.08 2qm4 h LEU 79 Ca 0.31 -0.59 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 2qm4 h LEU 79 Cb 0.76 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2qm4 h LEU 79 CO -0.08 0.63 -0.83 -0.07 0.09 0.00 0.00 178.44 178.18 2qm4 h LEU 80 N -0.84 0.03 0.68 1.67 3.38 -0.92 -3.37 115.31 115.94 2qm4 h LEU 80 Ca -0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2qm4 h LEU 80 Cb 0.64 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2qm4 h LEU 80 CO 0.01 0.85 -0.33 -0.09 0.09 0.00 0.00 178.44 178.98 2qm4 h ARG 81 N 0.01 -0.88 -0.81 1.13 9.65 -1.07 -2.35 114.38 120.06 2qm4 h ARG 81 Ca -0.01 0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2qm4 h ARG 81 Cb 1.47 0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 30.21 2qm4 h ARG 81 CO 0.11 -0.58 0.54 -1.35 2.80 0.00 0.00 179.97 181.49 2qm4 h PRO 82 N -0.98 1.07 0.00 0.20 0.11 -1.76 -2.64 132.00 127.99 2qm4 h PRO 82 Ca -0.09 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 2qm4 h PRO 82 Cb 0.70 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2qm4 h PRO 82 CO 0.15 0.71 -0.27 1.25 -0.21 0.00 0.00 178.00 179.62 2qm4 h LEU 83 N 1.10 0.00 -0.25 2.35 5.85 -1.73 -2.91 115.31 119.73 2qm4 h LEU 83 Ca 0.30 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.03 2qm4 h LEU 83 Cb -0.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2qm4 h LEU 83 CO -0.07 0.27 0.14 0.25 -0.34 0.00 0.00 178.44 178.70 2qm4 h LEU 84 N 0.00 0.23 -0.42 2.25 5.85 -1.04 -3.33 115.31 118.84 2qm4 h LEU 84 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2qm4 h LEU 84 Cb 0.77 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2qm4 h LEU 84 CO 0.04 0.17 -0.23 0.50 -0.34 0.00 0.00 178.44 178.58 2qm4 h LYS 85 N 0.29 0.90 -2.32 1.25 3.64 -1.50 -3.42 116.57 115.41 2qm4 h LYS 85 Ca 0.10 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 2qm4 h LYS 85 Cb -0.00 -0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 31.63 2qm4 h LYS 85 CO -0.05 1.05 0.28 0.16 -2.27 0.00 0.00 179.45 178.62 2qm4 s ASP 86 N -6.64 -0.56 -0.25 4.20 -4.77 -1.20 -5.04 116.67 102.41 2qm4 s ASP 86 Ca -0.12 0.35 0.09 0.00 -3.30 0.00 0.00 52.55 49.58 2qm4 s ASP 86 Cb 0.11 0.51 0.65 0.00 -1.09 0.00 0.00 42.92 43.11 2qm4 s ASP 86 CO 0.86 -0.70 1.62 0.00 0.70 0.00 0.00 175.17 177.64 2qm4 n ALA 87 N 0.31 4.10 -0.66 2.11 0.00 -1.26 -3.91 120.51 121.20 2qm4 n ALA 87 Ca -0.16 -1.85 0.03 0.00 0.00 0.00 0.00 53.44 51.46 2qm4 n ALA 87 Cb 0.60 -1.19 0.33 0.00 0.00 0.00 0.00 19.45 19.19 2qm4 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qm4 n ALA 88 N 0.11 3.86 -2.83 0.00 0.00 -1.26 -4.92 120.51 115.47 2qm4 n ALA 88 Ca 0.31 -1.73 -0.35 0.00 0.00 0.00 0.00 53.44 51.67 2qm4 n ALA 88 Cb 1.18 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 2qm4 n ALA 88 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qm4 s HIS 89 N -2.55 3.23 -0.64 0.00 3.76 -1.25 -5.03 115.29 112.81 2qm4 s HIS 89 Ca 0.47 0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.14 2qm4 s HIS 89 Cb 0.36 -2.14 -0.09 0.00 1.11 0.00 0.00 32.58 31.82 2qm4 s HIS 89 CO 0.13 0.05 2.36 -2.14 -0.85 0.00 0.00 174.74 174.28 2qm4 s PRO 90 N 0.72 1.94 -0.10 8.40 0.03 -1.26 -4.84 135.00 139.89 2qm4 s PRO 90 Ca 0.04 0.91 -0.02 0.00 0.03 0.00 0.00 61.00 61.96 2qm4 s PRO 90 Cb -0.13 -4.68 -0.01 0.00 0.03 0.00 0.00 34.50 29.72 2qm4 s PRO 90 CO 0.02 -3.73 -0.04 1.03 0.03 0.00 0.00 177.00 174.31 2qm4 h SER 91 N 16.18 0.00 0.00 2.53 0.87 -1.96 -3.48 113.55 127.69 2qm4 h SER 91 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2qm4 h SER 91 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2qm4 h SER 91 CO 1.10 0.50 0.00 -0.62 -0.53 0.00 0.00 176.83 177.28 2qm4 n GLU 92 N -4.43 -0.03 -4.01 2.24 -0.58 -1.26 -5.02 120.64 107.55 2qm4 n GLU 92 Ca -0.02 0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.37 2qm4 n GLU 92 Cb 0.06 -3.36 -0.07 0.00 -0.57 0.00 0.00 31.44 27.51 2qm4 n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qm4 s ALA 93 N -2.70 3.73 0.11 0.62 0.00 -1.26 -4.77 121.76 117.49 2qm4 s ALA 93 Ca 0.00 -0.72 0.09 0.00 0.00 0.00 0.00 51.96 51.33 2qm4 s ALA 93 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2qm4 s ALA 93 CO 0.00 0.64 -0.20 0.95 0.00 0.00 0.00 175.76 177.15 2qm4 s THR 94 N -1.06 2.72 -0.02 0.00 -4.23 0.25 -4.98 115.64 108.32 2qm4 s THR 94 Ca 0.17 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 2qm4 s THR 94 Cb -0.12 -2.23 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 2qm4 s THR 94 CO 0.07 0.12 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.79 2qm4 s PHE 95 N -1.11 1.16 0.15 3.99 0.40 -1.26 -1.45 117.98 119.86 2qm4 s PHE 95 Ca 0.17 -0.28 -0.05 0.00 -0.60 0.00 0.00 56.93 56.17 2qm4 s PHE 95 Cb -0.10 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 2qm4 s PHE 95 CO 0.09 -0.09 0.18 -1.54 0.70 0.00 0.00 175.22 174.56 2qm4 s SER 96 N 0.00 0.17 0.03 1.36 1.04 -0.65 -1.73 113.70 113.93 2qm4 s SER 96 Ca -0.01 -1.05 -0.09 0.00 0.48 0.00 0.00 55.95 55.29 2qm4 s SER 96 Cb -0.08 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2qm4 s SER 96 CO 0.00 -0.82 0.17 0.00 0.98 0.00 0.00 173.24 173.58 2qm4 s ASP 98 N -2.01 0.09 -0.01 0.00 1.47 -0.84 -4.97 116.67 110.40 2qm4 s ASP 98 Ca -0.06 -0.36 0.04 0.00 1.18 0.00 0.00 52.55 53.35 2qm4 s ASP 98 Cb -0.02 0.22 -0.03 0.00 -0.34 0.00 0.00 42.92 42.75 2qm4 s ASP 98 CO -0.03 -0.44 -0.13 0.00 0.68 0.00 0.00 175.17 175.25 2qm4 s VAL 100 N -0.86 -0.04 0.00 0.00 1.01 -0.82 -5.02 120.40 114.68 2qm4 s VAL 100 Ca 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2qm4 s VAL 100 Cb -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2qm4 s VAL 100 CO 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 175.10 174.31 2qm4 n ALA 101 N 4.30 0.00 -0.40 5.51 0.00 -1.26 -2.58 120.51 126.08 2qm4 n ALA 101 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.60 2qm4 n ALA 101 Cb 0.40 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.17 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 10.47 4.48 -4.60 0.00 8.00 -1.26 -4.92 116.55 128.73 2qm4 n ASP 102 Ca 0.00 -2.56 -0.33 0.00 0.71 0.00 0.00 54.79 52.62 2qm4 n ASP 102 Cb 0.00 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 2qm4 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qm4 s ALA 103 N -2.10 3.03 -0.09 2.24 0.00 -1.06 -1.05 121.76 122.73 2qm4 s ALA 103 Ca 0.44 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2qm4 s ALA 103 Cb 0.31 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2qm4 s ALA 103 CO 0.17 0.61 -0.15 -1.17 0.00 0.00 0.00 175.76 175.23 2qm4 s LEU 104 N -1.29 1.71 -0.31 0.00 0.20 0.65 -1.95 118.68 117.68 2qm4 s LEU 104 Ca 0.16 -0.38 -0.08 0.00 0.69 0.00 0.00 54.13 54.53 2qm4 s LEU 104 Cb -0.11 -0.99 0.01 0.00 -0.43 0.00 0.00 46.19 44.67 2qm4 s LEU 104 CO 0.06 0.04 0.12 -0.63 -0.29 0.00 0.00 176.35 175.65 2qm4 s ILE 105 N 0.77 4.22 -0.33 6.68 1.01 -0.03 -0.50 121.20 133.03 2qm4 s ILE 105 Ca -0.12 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 2qm4 s ILE 105 Cb -0.16 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2qm4 s ILE 105 CO 0.02 0.03 0.49 -0.22 0.00 0.00 0.00 174.94 175.26 2qm4 s LEU 106 N 1.54 4.27 -0.14 2.97 2.96 -0.59 -1.98 118.68 127.71 2qm4 s LEU 106 Ca 0.03 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2qm4 s LEU 106 Cb -0.17 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 2qm4 s LEU 106 CO 0.04 -0.41 0.01 -0.13 -1.32 0.00 0.00 176.35 174.54 2qm4 s ARG 107 N 2.32 3.57 -0.06 1.98 0.52 0.12 -0.56 118.95 126.85 2qm4 s ARG 107 Ca 0.18 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 55.04 2qm4 s ARG 107 Cb -0.16 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2qm4 s ARG 107 CO 0.12 0.40 -0.25 0.08 0.02 0.00 0.00 175.30 175.68 2qm4 s VAL 108 N -0.04 2.04 -0.17 3.52 1.01 0.15 -1.63 120.40 125.27 2qm4 s VAL 108 Ca 0.04 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2qm4 s VAL 108 Cb -0.13 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2qm4 s VAL 108 CO 0.02 0.57 -0.19 -0.60 0.00 0.00 0.00 175.10 174.89 2qm4 s ARG 109 N -0.13 3.04 0.00 2.72 6.06 -0.53 -2.17 118.95 127.95 2qm4 s ARG 109 Ca -0.05 -0.82 0.00 0.00 -2.50 0.00 0.00 55.73 52.37 2qm4 s ARG 109 Cb -0.14 -2.58 0.00 0.00 0.06 0.00 0.00 34.95 32.30 2qm4 s ARG 109 CO 0.04 -0.15 0.00 -1.13 -2.50 0.00 0.00 175.30 171.56 2qm4 n SER 110 N 4.47 0.12 -4.13 -2.12 3.41 -0.22 -0.59 113.62 114.57 2qm4 n SER 110 Ca -0.20 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.23 2qm4 n SER 110 Cb 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 2qm4 n SER 110 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2qm4 s GLU 111 N 1.41 0.75 -0.16 4.33 -1.05 -1.26 -1.24 118.70 121.48 2qm4 s GLU 111 Ca 0.00 -0.85 -0.10 0.00 -0.15 0.00 0.00 54.97 53.87 2qm4 s GLU 111 Cb 0.00 -0.70 0.05 0.00 -0.44 0.00 0.00 34.13 33.05 2qm4 s GLU 111 CO 0.00 0.15 0.40 -1.17 0.95 0.00 0.00 175.26 175.60 2qm4 s LEU 112 N -1.55 0.04 -1.69 1.83 0.20 0.11 -4.82 118.68 112.80 2qm4 s LEU 112 Ca -0.03 0.86 0.00 0.00 0.69 0.00 0.00 54.13 55.65 2qm4 s LEU 112 Cb -0.09 1.34 0.00 0.00 -0.43 0.00 0.00 46.19 47.00 2qm4 s LEU 112 CO 0.02 -0.18 0.00 -1.20 -0.29 0.00 0.00 176.35 174.69 2qm4 n SER 113 N 3.96 -5.58 -1.35 3.68 7.64 -1.26 -1.26 113.62 119.44 2qm4 n SER 113 Ca -0.21 0.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.54 2qm4 n SER 113 Cb 0.56 -4.67 -0.07 0.00 -1.01 0.00 0.00 64.21 59.01 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 -0.95 1.56 3.47 0.23 0.00 -1.26 -5.01 105.19 103.23 2qm4 n GLY 114 Ca -0.23 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.96 2.60 0.34 0.99 1.43 -0.39 -5.12 118.68 114.57 2qm4 s LEU 115 Ca 0.00 -0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 51.95 2qm4 s LEU 115 Cb 0.00 -1.25 -0.11 0.00 0.03 0.00 0.00 46.19 44.86 2qm4 s LEU 115 CO 0.00 0.09 1.51 -2.16 0.23 0.00 0.00 176.35 176.01 2qm4 s PRO 116 N -3.01 4.14 -0.03 1.29 0.04 -1.26 -0.71 135.00 135.45 2qm4 s PRO 116 Ca 0.25 2.54 0.05 0.00 0.04 0.00 0.00 61.00 63.87 2qm4 s PRO 116 Cb -0.07 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 2qm4 s PRO 116 CO 0.13 -0.54 -0.18 0.12 0.04 0.00 0.00 177.00 176.57 2qm4 s PHE 117 N -0.71 1.75 -0.02 0.56 5.36 -0.37 -4.75 117.98 119.80 2qm4 s PHE 117 Ca 0.56 -0.44 0.06 0.00 -0.96 0.00 0.00 56.93 56.15 2qm4 s PHE 117 Cb -0.46 -1.16 -0.02 0.00 -0.34 0.00 0.00 43.02 41.05 2qm4 s PHE 117 CO 0.57 -0.12 -0.21 0.71 -1.46 0.00 0.00 175.22 174.71 2qm4 s TYR 118 N -0.15 1.92 -0.06 10.12 2.02 -1.26 -1.05 117.35 128.89 2qm4 s TYR 118 Ca 0.00 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2qm4 s TYR 118 Cb -0.10 -1.24 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 2qm4 s TYR 118 CO 0.01 -0.05 0.14 -0.46 -1.57 0.00 0.00 175.55 173.63 2qm4 s TRP 119 N -0.45 -0.16 -0.12 2.71 -0.11 -0.92 -4.77 118.94 115.12 2qm4 s TRP 119 Ca 0.07 0.40 0.03 0.00 1.22 0.00 0.00 56.10 57.83 2qm4 s TRP 119 Cb -0.09 0.03 0.00 0.00 -1.50 0.00 0.00 33.47 31.91 2qm4 s TRP 119 CO -0.00 -0.10 -0.23 -0.80 -4.62 0.00 0.00 176.95 171.20 2qm4 s ASN 120 N 0.31 3.13 -0.29 5.86 0.01 -1.26 -0.68 114.94 122.02 2qm4 s ASN 120 Ca -0.02 -0.57 -0.18 0.00 -0.71 0.00 0.00 52.86 51.38 2qm4 s ASN 120 Cb -0.03 -1.43 -0.02 0.00 0.41 0.00 0.00 41.25 40.18 2qm4 s ASN 120 CO -0.01 0.13 0.51 -0.36 -1.51 0.00 0.00 177.10 175.85 2qm4 s PHE 121 N 0.54 3.24 -0.68 2.20 0.08 0.28 -4.96 117.98 118.68 2qm4 s PHE 121 Ca -0.14 0.49 -0.17 0.00 0.12 0.00 0.00 56.93 57.23 2qm4 s PHE 121 Cb -0.17 -2.78 0.14 0.00 -0.57 0.00 0.00 43.02 39.64 2qm4 s PHE 121 CO 0.04 -0.36 0.73 -1.01 -0.10 0.00 0.00 175.22 174.52 2qm4 s HIS 122 N 2.33 3.24 0.43 0.36 3.76 -1.26 -1.55 115.29 122.60 2qm4 s HIS 122 Ca 0.20 -1.32 0.05 0.00 -0.15 0.00 0.00 55.06 53.84 2qm4 s HIS 122 Cb -0.16 -3.96 0.08 0.00 1.11 0.00 0.00 32.58 29.65 2qm4 s HIS 122 CO 0.11 -1.19 0.59 0.00 -0.85 0.00 0.00 174.74 173.39 2qm4 s LEU 125 N 0.00 4.25 0.35 0.00 1.43 -0.21 -0.26 118.68 124.23 2qm4 s LEU 125 Ca 0.43 1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 54.47 2qm4 s LEU 125 Cb -0.03 -3.21 -0.10 0.00 0.03 0.00 0.00 46.19 42.87 2qm4 s LEU 125 CO 0.28 -0.28 1.36 0.00 0.23 0.00 0.00 176.35 177.94 2qm4 s ALA 126 N 1.54 3.52 0.49 4.21 0.00 -0.62 -4.73 121.76 126.17 2qm4 s ALA 126 Ca 0.39 1.36 -0.21 0.00 0.00 0.00 0.00 51.96 53.49 2qm4 s ALA 126 Cb -0.17 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 2qm4 s ALA 126 CO 0.16 -0.77 0.87 -1.13 0.00 0.00 0.00 175.76 174.90 2qm4 n SER 127 N 0.69 0.54 -0.16 0.00 3.41 -1.26 -4.81 113.62 112.04 2qm4 n SER 127 Ca 0.00 0.91 0.21 0.00 -0.26 0.00 0.00 58.87 59.74 2qm4 n SER 127 Cb 0.41 -1.31 0.61 0.00 -0.26 0.00 0.00 64.21 63.66 2qm4 n SER 127 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2qm4 h PRO 128 N 0.97 0.20 -0.63 4.33 0.11 -1.99 -2.07 132.00 132.92 2qm4 h PRO 128 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2qm4 h PRO 128 Cb 1.36 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 2qm4 h PRO 128 CO 0.53 0.13 0.32 1.03 -0.21 0.00 0.00 178.00 179.80 2qm4 h SER 129 N 0.20 0.80 -0.35 -2.05 0.87 -1.98 0.12 113.55 111.15 2qm4 h SER 129 Ca 0.39 -0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 2qm4 h SER 129 Cb 1.24 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2qm4 h SER 129 CO -0.08 0.69 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.43 2qm4 h LEU 130 N 0.85 0.98 -0.69 2.23 3.38 -1.79 0.41 115.31 120.68 2qm4 h LEU 130 Ca 0.22 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2qm4 h LEU 130 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2qm4 h LEU 130 CO -0.03 1.25 0.38 0.58 0.09 0.00 0.00 178.44 180.72 2qm4 h VAL 131 N 0.74 1.21 -0.08 1.22 2.07 -1.23 -0.51 116.25 119.68 2qm4 h VAL 131 Ca 0.06 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2qm4 h VAL 131 Cb 1.00 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2qm4 h VAL 131 CO 0.10 0.23 0.03 -1.28 0.02 0.00 0.00 177.57 176.67 2qm4 h SER 132 N 0.95 0.11 -0.42 0.57 0.87 -0.67 -0.79 113.55 114.17 2qm4 h SER 132 Ca 0.24 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2qm4 h SER 132 Cb 0.03 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2qm4 h SER 132 CO -0.04 0.26 -0.03 -0.61 -0.53 0.00 0.00 176.83 175.87 2qm4 h GLN 133 N -0.04 0.76 0.00 2.24 4.15 -0.81 -0.76 115.11 120.65 2qm4 h GLN 133 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2qm4 h GLN 133 Cb 0.18 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2qm4 h GLN 133 CO -0.00 0.86 -1.18 0.72 -1.93 0.00 0.00 178.83 177.30 2qm4 n HIS 134 N -4.38 0.46 0.05 3.99 8.25 -0.21 -4.47 115.22 118.92 2qm4 n HIS 134 Ca -0.01 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2qm4 n HIS 134 Cb 0.32 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.80 2qm4 n HIS 134 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qm4 n LEU 135 N -2.26 0.37 0.43 2.41 4.77 -0.37 -4.81 117.00 117.55 2qm4 n LEU 135 Ca 0.00 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 55.96 2qm4 n LEU 135 Cb 0.50 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2qm4 n LEU 135 CO 0.41 -0.66 0.58 0.40 -1.33 0.00 0.00 177.39 176.79 2qm4 h ILE 136 N 0.00 0.13 0.19 -0.08 2.04 -1.28 -1.77 117.51 116.74 2qm4 h ILE 136 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2qm4 h ILE 136 Cb 0.00 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 2qm4 h ILE 136 CO 0.00 0.00 -0.35 0.03 0.00 0.00 0.00 178.15 177.83 2qm4 h ARG 137 N -1.13 -0.60 -0.67 2.37 3.08 -1.41 -3.20 114.38 112.82 2qm4 h ARG 137 Ca -0.11 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2qm4 h ARG 137 Cb 0.88 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 2qm4 h ARG 137 CO 0.15 -0.40 0.37 -1.35 -1.07 0.00 0.00 179.97 177.67 2qm4 h PRO 138 N -0.62 0.93 -0.80 0.04 0.11 -1.78 0.79 132.00 130.68 2qm4 h PRO 138 Ca 0.01 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2qm4 h PRO 138 Cb 0.62 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2qm4 h PRO 138 CO -0.16 0.70 0.00 1.28 -0.21 0.00 0.00 178.00 179.61 2qm4 n LEU 139 N -4.52 0.03 -0.50 2.35 4.77 -0.67 -4.61 117.00 113.85 2qm4 n LEU 139 Ca 0.05 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2qm4 n LEU 139 Cb 0.09 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2qm4 n LEU 139 CO 0.37 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2qm4 n GLY 141 N 0.69 -0.04 1.14 -0.72 0.00 0.27 -4.71 105.19 101.82 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 0.06 0.00 -0.14 1.61 7.64 -1.26 -1.58 113.62 119.94 2qm4 n SER 143 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2qm4 n SER 143 Cb 0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.94 -0.55 -3.43 3.38 -1.95 -1.50 115.31 112.20 2qm4 h LEU 144 Ca 0.00 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 2qm4 h LEU 144 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2qm4 h LEU 144 CO 0.00 1.14 -0.14 0.00 0.09 0.00 0.00 178.44 179.54 2qm4 h ALA 145 N 0.82 0.76 -0.22 1.53 0.00 -1.71 -1.16 119.26 119.28 2qm4 h ALA 145 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2qm4 h ALA 145 Cb 0.80 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2qm4 h ALA 145 CO 0.07 0.67 -0.31 -0.07 0.00 0.00 0.00 179.25 179.61 2qm4 h LEU 146 N 0.90 0.47 -0.52 0.00 3.38 -1.82 -1.30 115.31 116.42 2qm4 h LEU 146 Ca 0.13 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2qm4 h LEU 146 Cb 0.71 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2qm4 h LEU 146 CO 0.05 0.76 -0.06 -0.61 0.09 0.00 0.00 178.44 178.67 2qm4 h GLN 147 N 0.40 0.96 -0.56 1.13 5.75 -1.00 -1.37 115.11 120.42 2qm4 h GLN 147 Ca 0.05 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 2qm4 h GLN 147 Cb 0.74 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 2qm4 h GLN 147 CO 0.06 1.01 0.32 0.00 -2.65 0.00 0.00 178.83 177.56 2qm4 h GLN 149 N 0.75 -0.22 -0.70 0.00 4.20 -1.06 -0.85 115.11 117.24 2qm4 h GLN 149 Ca 0.20 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.08 2qm4 h GLN 149 Cb 0.03 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.74 2qm4 h GLN 149 CO -0.03 -0.15 0.02 0.28 -0.67 0.00 0.00 178.83 178.28 2qm4 h VAL 150 N -0.23 0.42 -0.50 -0.54 2.07 -1.02 0.29 116.25 116.75 2qm4 h VAL 150 Ca 0.12 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 2qm4 h VAL 150 Cb 0.40 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2qm4 h VAL 150 CO -0.32 0.02 -0.05 0.03 0.02 0.00 0.00 177.57 177.27 2qm4 h ARG 151 N 0.13 0.87 -0.59 1.57 2.47 -0.85 -0.98 114.38 117.00 2qm4 h ARG 151 Ca 0.38 -0.27 -0.08 0.00 -1.26 0.00 0.00 59.98 58.74 2qm4 h ARG 151 Cb 0.64 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 2qm4 h ARG 151 CO -0.59 0.90 0.06 0.93 0.56 0.00 0.00 179.97 181.84 2qm4 h GLU 152 N 0.80 1.00 -0.10 0.04 5.08 -0.57 -1.60 114.58 119.23 2qm4 h GLU 152 Ca 0.14 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2qm4 h GLU 152 Cb 0.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2qm4 h GLU 152 CO 0.03 0.96 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.42 2qm4 h LEU 153 N 0.90 0.30 -0.49 1.33 3.38 -0.77 -1.62 115.31 118.34 2qm4 h LEU 153 Ca 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2qm4 h LEU 153 Cb 0.47 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2qm4 h LEU 153 CO 0.02 0.76 0.22 0.00 0.09 0.00 0.00 178.44 179.53 2qm4 h ALA 154 N 1.25 0.64 -0.54 1.53 0.00 -1.05 -1.57 119.26 119.51 2qm4 h ALA 154 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qm4 h ALA 154 Cb 0.98 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2qm4 h ALA 154 CO 0.08 0.22 0.33 1.15 0.00 0.00 0.00 179.25 181.03 2qm4 h THR 155 N 0.66 1.05 -0.84 0.00 2.02 -1.03 -2.06 112.91 112.71 2qm4 h THR 155 Ca 0.17 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2qm4 h THR 155 Cb 0.16 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 2qm4 h THR 155 CO -0.02 0.12 0.44 -0.07 0.37 0.00 0.00 175.52 176.36 2qm4 h LEU 156 N 0.64 1.06 -0.39 2.58 3.38 -1.07 -3.07 115.31 118.45 2qm4 h LEU 156 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2qm4 h LEU 156 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2qm4 h LEU 156 CO -0.10 0.87 0.18 -0.07 0.09 0.00 0.00 178.44 179.41 2qm4 h LEU 157 N 1.18 0.51 -1.75 1.67 3.38 -0.91 -1.96 115.31 117.44 2qm4 h LEU 157 Ca 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2qm4 h LEU 157 Cb 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2qm4 h LEU 157 CO -0.04 0.49 0.00 1.41 0.09 0.00 0.00 178.44 180.39 2qm4 n HIS 158 N -4.70 0.00 0.00 1.13 8.25 -0.81 -1.53 115.22 117.56 2qm4 n HIS 158 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2qm4 n HIS 158 Cb 0.11 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.76 0.00 -0.15 -0.41 4.01 -0.74 -1.18 118.16 120.46 2qm4 n LYS 160 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 2qm4 n LYS 160 Cb 0.00 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 34.61 2qm4 n LYS 160 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2qm4 h ASP 161 N 0.00 0.90 -0.78 4.39 3.32 -1.56 -0.66 116.42 122.03 2qm4 h ASP 161 Ca 0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2qm4 h ASP 161 Cb 0.00 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 2qm4 h ASP 161 CO 0.00 0.97 0.48 0.25 -1.72 0.00 0.00 179.24 179.23 2qm4 h LEU 162 N 0.84 0.92 -0.58 1.55 5.85 -1.41 0.17 115.31 122.65 2qm4 h LEU 162 Ca 0.15 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 2qm4 h LEU 162 Cb 0.54 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2qm4 h LEU 162 CO 0.03 0.70 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.61 2qm4 h GLU 163 N 1.06 0.99 -0.71 1.25 4.81 -1.79 -0.73 114.58 119.45 2qm4 h GLU 163 Ca 0.28 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2qm4 h GLU 163 Cb -0.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2qm4 h GLU 163 CO -0.06 1.05 0.36 0.82 -0.73 0.00 0.00 179.01 180.45 2qm4 h ILE 164 N 0.87 1.23 -0.64 2.32 2.04 -0.83 -2.62 117.51 119.89 2qm4 h ILE 164 Ca 0.13 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2qm4 h ILE 164 Cb 0.70 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2qm4 h ILE 164 CO 0.05 0.27 0.34 -0.61 0.00 0.00 0.00 178.15 178.20 2qm4 h GLN 165 N 0.99 0.89 -0.68 2.37 4.15 -0.50 -2.32 115.11 120.02 2qm4 h GLN 165 Ca 0.25 -0.11 0.08 0.00 0.77 0.00 0.00 58.65 59.64 2qm4 h GLN 165 Cb 0.10 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 27.55 2qm4 h GLN 165 CO -0.03 0.69 0.34 -0.44 -1.93 0.00 0.00 178.83 177.45 2qm4 h ASP 166 N 0.87 0.44 -0.08 -0.69 3.32 -0.82 -0.21 116.42 119.25 2qm4 h ASP 166 Ca 0.22 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2qm4 h ASP 166 Cb 0.06 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2qm4 h ASP 166 CO -0.03 0.26 0.04 1.88 -1.72 0.00 0.00 179.24 179.67 2qm4 h TYR 167 N 0.59 0.12 -0.70 4.55 0.05 -1.37 -2.99 116.97 117.21 2qm4 h TYR 167 Ca 0.33 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.17 2qm4 h TYR 167 Cb 0.32 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 2qm4 h TYR 167 CO -0.11 0.19 0.40 1.96 -1.05 0.00 0.00 178.16 179.55 2qm4 h GLN 168 N 0.01 0.70 0.00 4.88 4.20 -0.81 -2.40 115.11 121.69 2qm4 h GLN 168 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2qm4 h GLN 168 Cb 0.12 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2qm4 h GLN 168 CO -0.00 0.46 0.00 0.93 -0.67 0.00 0.00 178.83 179.55 2qm4 h GLU 169 N 0.72 0.00 -0.70 1.46 4.39 -1.09 -2.90 114.58 116.47 2qm4 h GLU 169 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2qm4 h GLU 169 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2qm4 h GLU 169 CO -0.19 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.53 2qm4 n SER 170 N -2.53 4.14 0.00 1.42 3.41 -0.94 -4.96 113.62 114.15 2qm4 n SER 170 Ca 0.03 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 2qm4 n SER 170 Cb 0.34 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2qm4 n SER 170 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qm4 n GLY 171 N 1.46 0.60 0.28 5.00 0.00 -1.09 -4.98 105.19 106.46 2qm4 n GLY 171 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.28 2qm4 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qm4 h ALA 172 N 0.00 0.55 -4.00 4.61 0.00 -1.64 -3.39 119.26 115.39 2qm4 h ALA 172 Ca 0.00 0.28 -0.49 0.00 0.00 0.00 0.00 54.91 54.70 2qm4 h ALA 172 Cb 0.00 0.54 -0.27 0.00 0.00 0.00 0.00 17.79 18.06 2qm4 h ALA 172 CO 0.00 -0.42 -0.81 -0.08 0.00 0.00 0.00 179.25 177.94 2qm4 s THR 173 N -6.22 1.22 -0.09 0.00 -1.32 -1.26 -5.05 115.64 102.92 2qm4 s THR 173 Ca -0.14 -0.88 0.04 0.00 -1.21 0.00 0.00 61.69 59.50 2qm4 s THR 173 Cb 0.22 -1.06 -0.09 0.00 -1.51 0.00 0.00 72.50 70.06 2qm4 s THR 173 CO 0.75 0.17 -0.02 0.18 -2.21 0.00 0.00 174.62 173.49 2qm4 n LEU 174 N 2.23 1.29 -4.28 9.08 4.77 -1.26 -4.89 117.00 123.93 2qm4 n LEU 174 Ca -0.16 -0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.50 2qm4 n LEU 174 Cb 0.55 -0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 2qm4 n LEU 174 CO 0.23 0.41 -0.55 0.27 -1.33 0.00 0.00 177.39 176.42 2qm4 s ILE 175 N -2.20 1.92 -0.01 -0.08 -4.36 -1.26 -5.10 121.20 110.10 2qm4 s ILE 175 Ca -0.08 -1.08 -0.30 0.00 -0.26 0.00 0.00 60.65 58.93 2qm4 s ILE 175 Cb 0.03 -1.60 -0.07 0.00 1.25 0.00 0.00 42.46 42.07 2qm4 s ILE 175 CO 0.29 0.50 1.73 -0.60 0.24 0.00 0.00 174.94 177.11 2qm4 s ARG 176 N -0.67 4.17 0.00 0.37 3.52 -1.26 -4.88 118.95 120.20 2qm4 s ARG 176 Ca 0.09 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 2qm4 s ARG 176 Cb -0.09 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2qm4 s ARG 176 CO -0.00 -0.86 0.81 -0.40 -0.81 0.00 0.00 175.30 174.04 2qm4 n ASP 177 N 7.01 1.60 -3.58 -2.12 5.75 -1.26 -5.06 116.55 118.90 2qm4 n ASP 177 Ca 0.18 -1.63 -0.06 0.00 -0.01 0.00 0.00 54.79 53.27 2qm4 n ASP 177 Cb 0.42 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 2qm4 n ASP 177 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qm4 s ARG 178 N -0.63 0.42 -0.47 0.11 1.70 -1.26 -5.11 118.95 113.71 2qm4 s ARG 178 Ca 0.00 -0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 54.88 2qm4 s ARG 178 Cb 0.00 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.57 2qm4 s ARG 178 CO 0.00 -0.17 1.62 -1.17 -1.08 0.00 0.00 175.30 174.50 2qm4 s LEU 179 N -1.97 3.45 0.40 -1.89 2.96 -1.26 -5.00 118.68 115.37 2qm4 s LEU 179 Ca 0.07 0.70 0.08 0.00 -0.22 0.00 0.00 54.13 54.76 2qm4 s LEU 179 Cb -0.01 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2qm4 s LEU 179 CO -0.05 -1.80 0.29 -0.54 -1.32 0.00 0.00 176.35 172.93 2qm4 s LYS 180 N 5.77 2.45 0.62 1.98 1.02 -1.26 -5.11 119.74 125.21 2qm4 s LYS 180 Ca 0.65 -1.60 -0.18 0.00 0.02 0.00 0.00 55.97 54.86 2qm4 s LYS 180 Cb -0.15 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2qm4 s LYS 180 CO 0.28 -0.12 1.20 0.95 -0.92 0.00 0.00 175.35 176.75 2qm4 s THR 181 N -2.49 2.62 0.41 2.17 -4.23 -1.26 -5.02 115.64 107.84 2qm4 s THR 181 Ca 0.44 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 61.16 2qm4 s THR 181 Cb -0.01 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.66 2qm4 s THR 181 CO 0.26 -0.11 0.85 -1.61 -0.54 0.00 0.00 174.62 173.47 2qm4 s GLU 182 N -3.49 4.00 0.32 3.99 0.41 -1.26 -5.01 118.70 117.66 2qm4 s GLU 182 Ca 0.76 0.80 -0.28 0.00 -0.41 0.00 0.00 54.97 55.85 2qm4 s GLU 182 Cb -0.29 -2.30 -0.13 0.00 -1.78 0.00 0.00 34.13 29.63 2qm4 s GLU 182 CO 0.36 -0.02 1.10 -2.30 -0.49 0.00 0.00 175.26 173.91 2qm4 n PRO 183 N -0.87 1.60 -1.93 0.39 -0.02 -1.26 -4.86 135.00 128.04 2qm4 n PRO 183 Ca 0.05 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 2qm4 n PRO 183 Cb 0.54 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 2qm4 n PRO 183 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qm4 s PHE 184 N -1.09 1.80 -0.27 6.00 5.36 -1.26 -5.01 117.98 123.51 2qm4 s PHE 184 Ca 0.58 0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 56.73 2qm4 s PHE 184 Cb -0.64 -4.00 0.04 0.00 -0.34 0.00 0.00 43.02 38.08 2qm4 s PHE 184 CO 0.60 -3.98 -0.06 -1.21 -1.46 0.00 0.00 175.22 169.12 2qm4 s GLU 185 N 4.48 2.55 0.28 10.12 2.02 -1.26 -4.90 118.70 131.99 2qm4 s GLU 185 Ca 0.78 -1.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.58 2qm4 s GLU 185 Cb -0.33 -3.01 0.39 0.00 0.10 0.00 0.00 34.13 31.27 2qm4 s GLU 185 CO 0.32 -0.51 1.92 1.05 0.02 0.00 0.00 175.26 178.06 2qm4 h GLU 186 N 7.94 1.09 -0.70 1.61 9.09 -1.99 -0.61 114.58 131.01 2qm4 h GLU 186 Ca -0.26 -0.10 0.01 0.00 0.05 0.00 0.00 59.36 59.06 2qm4 h GLU 186 Cb 1.08 -0.23 -0.03 0.00 -1.65 0.00 0.00 28.75 27.92 2qm4 h GLU 186 CO 0.53 0.77 0.46 -0.91 0.05 0.00 0.00 179.01 179.92 2qm4 h ASN 187 N 1.10 0.81 0.49 3.06 2.35 -1.99 -0.50 115.58 120.90 2qm4 h ASN 187 Ca 0.29 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.79 2qm4 h ASN 187 Cb -0.03 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 2qm4 h ASN 187 CO -0.05 0.59 -0.95 0.77 -1.65 0.00 0.00 177.43 176.13 2qm4 h SER 188 N 0.95 0.39 -0.35 5.81 4.64 -1.95 -1.32 113.55 121.72 2qm4 h SER 188 Ca 0.26 -0.33 0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2qm4 h SER 188 Cb -0.11 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 61.81 2qm4 h SER 188 CO -0.06 1.15 0.04 0.15 -0.87 0.00 0.00 176.83 177.24 2qm4 h PHE 189 N 0.15 0.06 0.16 4.77 3.57 -0.89 -1.90 116.94 122.87 2qm4 h PHE 189 Ca -0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2qm4 h PHE 189 Cb 1.60 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2qm4 h PHE 189 CO 0.05 -0.02 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.96 2qm4 h LEU 190 N 0.15 -0.19 -1.03 0.59 3.38 -1.05 -1.63 115.31 115.52 2qm4 h LEU 190 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qm4 h LEU 190 Cb 0.21 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2qm4 h LEU 190 CO -0.25 0.06 0.57 1.05 0.09 0.00 0.00 178.44 179.96 2qm4 h GLU 191 N -0.44 1.23 -0.34 1.13 -0.00 -1.20 -2.36 114.58 112.59 2qm4 h GLU 191 Ca -0.02 -0.10 -0.14 0.00 -0.00 0.00 0.00 59.36 59.10 2qm4 h GLU 191 Cb 0.34 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 28.82 2qm4 h GLU 191 CO 0.04 0.84 -0.35 1.96 -0.00 0.00 0.00 179.01 181.50 2qm4 h GLN 192 N 1.25 0.78 0.00 1.06 1.08 -1.35 -2.82 115.11 115.12 2qm4 h GLN 192 Ca 0.33 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2qm4 h GLN 192 Cb -0.08 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2qm4 h GLN 192 CO -0.07 1.01 0.00 0.34 -0.95 0.00 0.00 178.83 179.17 2qm4 n PHE 193 N -4.06 0.00 0.00 2.96 -0.00 -0.62 -0.67 117.46 115.07 2qm4 n PHE 193 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2qm4 n PHE 193 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.99 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 0.28 0.00 -0.04 -2.13 5.41 -1.06 0.48 119.36 122.29 2qm4 n ILE 195 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 2qm4 n ILE 195 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 38.80 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 0.71 -0.05 0.38 1.02 0.15 -4.70 120.64 118.15 2qm4 n GLU 196 Ca 0.00 0.21 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 2qm4 n GLU 196 Cb 0.00 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 29.67 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 -3.32 1.70 -0.09 3.49 4.76 0.18 -4.76 118.16 120.11 2qm4 n LYS 197 Ca -0.35 -0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.00 2qm4 n LYS 197 Cb 1.04 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.92 2qm4 n LYS 197 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2qm4 h LEU 198 N 0.00 -0.17 -0.62 -0.35 5.85 -1.21 -1.74 115.31 117.07 2qm4 h LEU 198 Ca -0.26 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.66 2qm4 h LEU 198 Cb 1.50 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.59 2qm4 h LEU 198 CO 0.01 -0.05 0.14 -0.65 -0.34 0.00 0.00 178.44 177.56 2qm4 h PRO 199 N 0.06 0.27 0.19 5.25 0.11 -1.87 -1.57 132.00 134.44 2qm4 h PRO 199 Ca 0.15 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.93 2qm4 h PRO 199 Cb 0.21 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.28 2qm4 h PRO 199 CO -0.28 0.18 -1.48 1.49 -0.21 0.00 0.00 178.00 177.71 2qm4 h GLU 200 N 0.28 0.41 -0.64 1.05 4.81 -1.87 -3.34 114.58 115.27 2qm4 h GLU 200 Ca 0.33 -0.70 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 2qm4 h GLU 200 Cb 0.49 0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2qm4 h GLU 200 CO -0.40 1.32 0.32 0.00 -0.73 0.00 0.00 179.01 179.52 2qm4 h ALA 201 N 0.30 1.36 -0.04 2.92 0.00 -0.93 -2.85 119.26 120.03 2qm4 h ALA 201 Ca -0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qm4 h ALA 201 Cb 2.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2qm4 h ALA 201 CO 0.23 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.98 2qm4 s SER 203 N -1.87 5.84 0.08 0.00 0.15 -1.08 -4.88 113.70 111.95 2qm4 s SER 203 Ca 0.39 1.10 -0.25 0.00 0.70 0.00 0.00 55.95 57.89 2qm4 s SER 203 Cb 0.20 -2.53 -0.16 0.00 -1.71 0.00 0.00 66.02 61.82 2qm4 s SER 203 CO 0.32 -1.78 1.71 0.40 1.20 0.00 0.00 173.24 175.08 2qm4 h ILE 204 N 6.78 0.87 0.00 6.45 1.08 -1.91 -3.47 117.51 127.31 2qm4 h ILE 204 Ca -0.32 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2qm4 h ILE 204 Cb 1.16 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2qm4 h ILE 204 CO 1.07 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 179.14 2qm4 n GLY 205 N -1.16 3.06 0.18 5.37 0.00 -1.26 -2.18 105.19 109.20 2qm4 n GLY 205 Ca -0.08 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 1.96 0.55 0.00 1.61 5.68 -1.26 -4.87 116.55 120.22 2qm4 n ASP 206 Ca 0.00 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2qm4 n ASP 206 Cb 0.00 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2qm4 n ASP 206 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qm4 n GLY 207 N 0.88 0.91 0.33 6.12 0.00 -0.93 -4.84 105.19 107.67 2qm4 n GLY 207 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 3.55 1.01 -0.73 1.61 3.64 -1.90 -2.22 116.57 121.53 2qm4 h LYS 208 Ca 0.00 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2qm4 h LYS 208 Cb 0.00 -0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 31.49 2qm4 h LYS 208 CO 0.00 0.67 0.22 -1.35 -2.27 0.00 0.00 179.45 176.72 2qm4 h PRO 209 N 1.04 0.33 0.30 1.90 0.11 -1.91 -2.84 132.00 130.93 2qm4 h PRO 209 Ca 0.38 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 2qm4 h PRO 209 Cb 0.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2qm4 h PRO 209 CO -0.16 0.22 -0.20 0.35 -0.21 0.00 0.00 178.00 178.01 2qm4 h PHE 210 N 0.34 -0.51 0.00 0.65 3.57 -1.71 0.15 116.94 119.42 2qm4 h PHE 210 Ca 0.40 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 2qm4 h PHE 210 Cb 0.65 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2qm4 h PHE 210 CO -0.22 -0.30 0.00 0.28 -2.23 0.00 0.00 178.31 175.84 2qm4 n VAL 211 N -5.32 0.00 0.00 1.41 0.31 -1.07 -1.33 118.33 112.33 2qm4 n VAL 211 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2qm4 n VAL 211 Cb 0.23 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 0.31 0.00 -0.02 4.52 3.02 0.04 -4.45 115.26 118.68 2qm4 n ASN 213 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2qm4 n ASN 213 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.00 1.49 0.11 3.41 4.77 -0.44 -4.79 117.00 121.55 2qm4 n LEU 214 Ca 0.00 -1.59 -0.02 0.00 -0.03 0.00 0.00 56.01 54.37 2qm4 n LEU 214 Cb 0.00 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2qm4 n LEU 214 CO 0.00 0.39 0.34 1.56 -1.33 0.00 0.00 177.39 178.36 2qm4 h GLN 215 N 0.00 0.00 -0.34 3.23 1.08 -1.78 -0.94 115.11 116.36 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 0.69 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2qm4 h GLN 215 CO 0.00 0.74 0.20 -0.44 -0.95 0.00 0.00 178.83 178.38 2qm4 h ASP 216 N 0.00 0.41 -0.33 1.46 3.32 -1.94 -3.11 116.42 116.23 2qm4 h ASP 216 Ca -0.01 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2qm4 h ASP 216 Cb 1.46 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 2qm4 h ASP 216 CO 0.10 0.35 -0.03 0.25 -1.72 0.00 0.00 179.24 178.18 2qm4 h LEU 217 N 0.43 0.60 -0.75 1.55 5.85 -1.89 -2.08 115.31 119.01 2qm4 h LEU 217 Ca 0.12 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2qm4 h LEU 217 Cb 0.02 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2qm4 h LEU 217 CO -0.02 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 2qm4 n TYR 218 N -4.49 0.00 0.00 1.25 9.36 -0.36 -0.74 117.16 122.17 2qm4 n TYR 218 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2qm4 n TYR 218 Cb 0.29 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 2qm4 n TYR 218 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qm4 n ALA 220 N 0.18 0.00 -0.03 2.98 0.00 -0.78 -0.98 120.51 121.87 2qm4 n ALA 220 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2qm4 n ALA 220 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 1.36 -0.47 0.00 2.07 -1.21 -2.35 116.25 115.64 2qm4 h VAL 221 Ca 0.00 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 2qm4 h VAL 221 Cb 0.00 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2qm4 h VAL 221 CO 0.00 0.33 0.06 0.71 0.02 0.00 0.00 177.57 178.68 2qm4 h THR 222 N -0.23 1.23 -0.76 2.57 1.35 -1.31 -2.42 112.91 113.32 2qm4 h THR 222 Ca 0.01 -0.87 0.03 0.00 -0.55 0.00 0.00 66.41 65.03 2qm4 h THR 222 Cb 0.56 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 67.73 2qm4 h THR 222 CO 0.02 0.31 0.49 0.74 -0.25 0.00 0.00 175.52 176.83 2qm4 h THR 223 N 0.71 1.12 -0.53 6.82 2.02 -1.80 -2.52 112.91 118.73 2qm4 h THR 223 Ca 0.15 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2qm4 h THR 223 Cb 0.36 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2qm4 h THR 223 CO 0.01 0.17 0.27 -0.61 0.37 0.00 0.00 175.52 175.73 2qm4 h GLN 224 N 0.95 0.75 -0.39 6.66 5.75 -0.94 -2.45 115.11 125.43 2qm4 h GLN 224 Ca 0.30 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 2qm4 h GLN 224 Cb -0.00 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2qm4 h GLN 224 CO -0.11 0.61 0.13 1.49 -2.65 0.00 0.00 178.83 178.31 2qm4 h GLU 225 N 0.70 0.61 -0.54 1.69 4.81 -1.40 0.10 114.58 120.55 2qm4 h GLU 225 Ca 0.18 -0.12 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2qm4 h GLU 225 Cb 0.10 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.29 2qm4 h GLU 225 CO -0.03 0.60 -0.06 0.28 -0.73 0.00 0.00 179.01 179.07 2qm4 h VAL 226 N 0.49 0.52 -0.15 0.32 2.07 -1.40 0.60 116.25 118.69 2qm4 h VAL 226 Ca 0.13 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.49 2qm4 h VAL 226 Cb 0.24 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2qm4 h VAL 226 CO -0.01 0.01 -0.50 1.56 0.02 0.00 0.00 177.57 178.66 2qm4 h GLN 227 N 0.06 0.40 -0.34 1.57 4.20 -1.24 -3.02 115.11 116.74 2qm4 h GLN 227 Ca 0.27 -0.23 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 2qm4 h GLN 227 Cb 0.42 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2qm4 h GLN 227 CO -0.50 0.81 -0.47 0.28 -0.67 0.00 0.00 178.83 178.28 2qm4 h VAL 228 N 0.32 1.27 0.00 -0.54 2.07 -0.40 -3.30 116.25 115.67 2qm4 h VAL 228 Ca 0.01 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2qm4 h VAL 228 Cb 0.99 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2qm4 h VAL 228 CO 0.09 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.83 2qm4 n GLY 229 N 0.26 -0.12 0.80 2.17 0.00 0.20 -5.09 105.19 103.42 2qm4 n GLY 229 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2qm4 n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93