#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 1.98 5.00 0.00 -1.26 -2.81 105.19 108.10 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 -1.84 0.00 0.00 0.00 173.32 171.48 2qm4 n GLU 2 N -0.45 0.00 -0.18 1.61 0.28 -1.26 -2.09 120.64 118.54 2qm4 n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 2qm4 n GLU 2 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 2qm4 n GLU 2 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2qm4 h GLU 3 N 0.00 0.92 -0.11 3.44 4.57 -1.96 -1.16 114.58 120.29 2qm4 h GLU 3 Ca 0.00 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 57.83 2qm4 h GLU 3 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2qm4 h GLU 3 CO 0.00 0.93 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.47 2qm4 h LEU 4 N 0.79 0.18 0.02 1.64 3.38 -1.70 -1.98 115.31 117.65 2qm4 h LEU 4 Ca 0.15 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 2qm4 h LEU 4 Cb 0.51 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.24 2qm4 h LEU 4 CO 0.02 0.41 -1.08 -0.33 0.09 0.00 0.00 178.44 177.56 2qm4 h GLU 5 N 0.17 0.69 -0.35 1.13 4.39 -1.81 -1.90 114.58 116.89 2qm4 h GLU 5 Ca 0.03 -0.77 0.03 0.00 0.34 0.00 0.00 59.36 58.98 2qm4 h GLU 5 Cb 0.50 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 2qm4 h GLU 5 CO 0.03 1.34 0.17 1.96 -1.16 0.00 0.00 179.01 181.36 2qm4 h GLN 6 N 0.37 0.35 -0.50 2.33 7.50 -1.06 -1.88 115.11 122.22 2qm4 h GLN 6 Ca -0.14 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 58.89 2qm4 h GLN 6 Cb 1.74 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 29.17 2qm4 h GLN 6 CO 0.21 0.23 -0.10 0.78 -1.50 0.00 0.00 178.83 178.45 2qm4 h GLY 7 N 0.36 0.98 0.78 3.46 0.00 -1.39 -3.05 103.07 104.22 2qm4 h GLY 7 Ca 0.15 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.75 2qm4 h GLY 7 CO -0.11 0.70 0.25 -2.00 0.00 0.00 0.00 176.54 175.39 2qm4 h LEU 8 N 0.82 0.38 -1.99 3.11 5.85 -1.17 -2.66 115.31 119.64 2qm4 h LEU 8 Ca 0.13 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qm4 h LEU 8 Cb 0.62 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2qm4 h LEU 8 CO 0.04 0.27 0.00 -0.11 -0.34 0.00 0.00 178.44 178.30 2qm4 n LEU 9 N -4.87 0.00 -1.18 2.25 7.94 -0.72 -4.76 117.00 115.65 2qm4 n LEU 9 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 2qm4 n LEU 9 Cb 0.11 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2qm4 n LEU 9 CO 0.30 0.00 -0.13 0.00 -1.11 0.00 0.00 177.39 176.45 2qm4 n GLN 11 N 0.73 -1.24 -1.87 1.96 1.13 -1.01 -4.81 117.38 112.27 2qm4 n GLN 11 Ca 0.00 0.94 -0.30 0.00 -1.94 0.00 0.00 57.00 55.70 2qm4 n GLN 11 Cb 0.00 -1.47 0.05 0.00 0.11 0.00 0.00 30.24 28.93 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 -3.64 2.76 0.26 -1.09 0.04 -1.26 -5.02 135.00 127.05 2qm4 s PRO 12 Ca 0.00 0.44 -0.29 0.00 0.04 0.00 0.00 61.00 61.19 2qm4 s PRO 12 Cb 0.00 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2qm4 s PRO 12 CO 0.00 -1.10 0.97 -1.58 0.04 0.00 0.00 177.00 175.33 2qm4 s TRP 13 N -3.37 3.88 0.21 0.56 0.52 -1.26 -4.62 118.94 114.86 2qm4 s TRP 13 Ca 0.59 1.87 0.09 0.00 0.02 0.00 0.00 56.10 58.66 2qm4 s TRP 13 Cb -0.11 -3.02 -0.05 0.00 -1.15 0.00 0.00 33.47 29.14 2qm4 s TRP 13 CO 0.52 0.25 -0.18 0.00 0.02 0.00 0.00 176.95 177.56 2qm4 s ALA 14 N -1.23 2.23 -0.14 0.98 0.00 -0.01 -4.79 121.76 118.80 2qm4 s ALA 14 Ca 0.43 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 2qm4 s ALA 14 Cb -0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2qm4 s ALA 14 CO 0.32 0.21 0.12 -0.46 0.00 0.00 0.00 175.76 175.95 2qm4 s TRP 15 N -2.40 3.48 -0.12 0.00 -0.00 -1.26 -0.60 118.94 118.04 2qm4 s TRP 15 Ca 0.22 0.41 -0.00 0.00 -0.00 0.00 0.00 56.10 56.72 2qm4 s TRP 15 Cb -0.04 -1.99 0.02 0.00 -0.00 0.00 0.00 33.47 31.46 2qm4 s TRP 15 CO 0.09 0.55 -0.08 -1.17 -0.00 0.00 0.00 176.95 176.34 2qm4 s LEU 16 N -0.56 1.22 0.15 5.86 2.96 -0.24 -4.88 118.68 123.20 2qm4 s LEU 16 Ca 0.12 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.42 2qm4 s LEU 16 Cb -0.12 -0.86 -0.07 0.00 0.50 0.00 0.00 46.19 45.64 2qm4 s LEU 16 CO 0.02 -0.11 0.93 -1.58 -1.32 0.00 0.00 176.35 174.29 2qm4 s GLN 17 N 1.68 4.73 -0.04 1.98 2.00 -1.26 -1.76 119.66 126.98 2qm4 s GLN 17 Ca 0.05 1.42 -0.04 0.00 -2.00 0.00 0.00 55.36 54.79 2qm4 s GLN 17 Cb -0.13 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.36 2qm4 s GLN 17 CO -0.08 0.34 0.11 -0.48 -0.50 0.00 0.00 175.29 174.68 2qm4 s LEU 18 N -0.46 1.58 0.16 3.68 0.05 0.30 -4.88 118.68 119.11 2qm4 s LEU 18 Ca 0.44 0.20 -0.08 0.00 0.05 0.00 0.00 54.13 54.74 2qm4 s LEU 18 Cb -0.24 0.39 0.22 0.00 -2.05 0.00 0.00 46.19 44.51 2qm4 s LEU 18 CO 0.30 -0.05 0.95 0.00 -0.55 0.00 0.00 176.35 177.00 2qm4 n ALA 19 N 2.95 0.04 0.07 1.48 0.00 -1.26 -0.92 120.51 122.87 2qm4 n ALA 19 Ca -0.13 0.64 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 2qm4 n ALA 19 Cb 0.59 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 2qm4 n ALA 19 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qm4 h GLU 20 N 0.00 -0.21 0.00 0.00 4.11 -1.96 -3.50 114.58 113.02 2qm4 h GLU 20 Ca 0.25 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.70 2qm4 h GLU 20 Cb 0.41 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2qm4 h GLU 20 CO -0.62 -0.14 0.00 0.09 0.07 0.00 0.00 179.01 178.41 2qm4 n ASN 21 N -3.31 0.27 -4.04 3.06 3.02 -0.10 -5.19 115.26 108.98 2qm4 n ASN 21 Ca -0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.44 2qm4 n ASN 21 Cb 0.09 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.16 2qm4 n ASN 21 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qm4 s SER 22 N 1.00 0.33 0.07 6.41 1.04 -1.26 -0.54 113.70 120.75 2qm4 s SER 22 Ca 0.00 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.49 2qm4 s SER 22 Cb 0.00 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2qm4 s SER 22 CO 0.00 -0.68 -0.06 -0.76 0.98 0.00 0.00 173.24 172.72 2qm4 s LEU 23 N -2.94 2.43 -0.11 2.42 1.43 -0.72 -4.86 118.68 116.33 2qm4 s LEU 23 Ca 0.11 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.17 2qm4 s LEU 23 Cb 0.07 -0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.23 2qm4 s LEU 23 CO -0.07 -0.43 0.40 -0.76 0.23 0.00 0.00 176.35 175.72 2qm4 s LEU 24 N -2.59 4.30 -0.01 1.79 1.43 0.88 -1.08 118.68 123.40 2qm4 s LEU 24 Ca 0.04 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2qm4 s LEU 24 Cb 0.02 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.67 2qm4 s LEU 24 CO -0.05 0.09 -0.03 0.00 0.23 0.00 0.00 176.35 176.59 2qm4 s ALA 25 N 0.30 0.29 0.05 4.21 0.00 0.23 -0.43 121.76 126.42 2qm4 s ALA 25 Ca 0.22 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.10 2qm4 s ALA 25 Cb -0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2qm4 s ALA 25 CO 0.08 0.06 -0.12 -1.59 0.00 0.00 0.00 175.76 174.19 2qm4 s LYS 26 N 0.02 0.76 -0.06 0.00 -2.85 -0.27 -0.83 119.74 116.50 2qm4 s LYS 26 Ca 0.00 -0.83 -0.17 0.00 -1.00 0.00 0.00 55.97 53.97 2qm4 s LYS 26 Cb -0.02 -0.71 0.04 0.00 -2.06 0.00 0.00 37.83 35.07 2qm4 s LYS 26 CO -0.00 0.16 0.40 0.54 0.10 0.00 0.00 175.35 176.55 2qm4 s VAL 27 N -1.15 0.03 -0.19 1.79 0.11 -1.26 -1.30 120.40 118.44 2qm4 s VAL 27 Ca -0.03 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 58.73 2qm4 s VAL 27 Cb -0.09 -0.66 0.06 0.00 -1.53 0.00 0.00 36.38 34.16 2qm4 s VAL 27 CO 0.01 -0.14 0.05 0.12 -3.33 0.00 0.00 175.10 171.81 2qm4 s PHE 28 N -0.83 0.77 -0.20 1.54 5.36 -0.59 -4.90 117.98 119.13 2qm4 s PHE 28 Ca -0.09 -0.69 -0.03 0.00 -0.96 0.00 0.00 56.93 55.16 2qm4 s PHE 28 Cb -0.04 -0.92 -0.01 0.00 -0.34 0.00 0.00 43.02 41.71 2qm4 s PHE 28 CO 0.04 -0.58 -0.07 0.42 -1.46 0.00 0.00 175.22 173.57 2qm4 s ILE 29 N 1.94 3.17 0.19 3.12 1.01 -1.26 -1.99 121.20 127.38 2qm4 s ILE 29 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2qm4 s ILE 29 Cb -0.17 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 2qm4 s ILE 29 CO -0.08 0.45 0.01 0.35 0.00 0.00 0.00 174.94 175.67 2qm4 n THR 30 N 4.62 0.00 0.40 2.92 -2.24 -0.66 -5.02 114.28 114.30 2qm4 n THR 30 Ca -0.19 -0.92 0.13 0.00 -2.27 0.00 0.00 64.05 60.80 2qm4 n THR 30 Cb 0.51 0.20 0.51 0.00 -2.10 0.00 0.00 70.33 69.45 2qm4 n THR 30 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2qm4 h LYS 31 N 0.00 0.00 -0.01 -0.78 -0.00 -1.94 -3.06 116.57 110.78 2qm4 h LYS 31 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.49 2qm4 h LYS 31 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.72 2qm4 h LYS 31 CO 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 179.45 179.63 2qm4 n GLN 32 N -2.35 1.30 0.00 0.07 10.64 -1.26 -4.39 117.38 121.39 2qm4 n GLN 32 Ca 0.02 -0.71 0.00 0.00 -1.83 0.00 0.00 57.00 54.48 2qm4 n GLN 32 Cb 0.25 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 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 1.22 0.72 3.37 2.61 0.00 -1.16 -3.48 105.19 108.47 2qm4 n GLY 33 Ca 0.17 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.82 -0.14 -0.02 1.61 -0.85 -1.02 -1.65 117.35 112.46 2qm4 s TYR 34 Ca 0.00 -0.19 0.05 0.00 -0.52 0.00 0.00 57.07 56.41 2qm4 s TYR 34 Cb 0.00 0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.59 2qm4 s TYR 34 CO 0.00 -0.75 -0.18 0.00 -1.52 0.00 0.00 175.55 173.10 2qm4 s ALA 35 N -3.83 1.52 -0.05 9.51 0.00 -0.84 -1.70 121.76 126.36 2qm4 s ALA 35 Ca 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2qm4 s ALA 35 Cb 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2qm4 s ALA 35 CO -0.09 0.36 -0.13 -1.17 0.00 0.00 0.00 175.76 174.72 2qm4 s LEU 36 N -0.35 1.77 -0.05 0.00 2.96 0.13 -1.54 118.68 121.61 2qm4 s LEU 36 Ca 0.05 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2qm4 s LEU 36 Cb -0.08 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 2qm4 s LEU 36 CO -0.00 0.08 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.11 2qm4 s LEU 37 N 0.35 2.04 -0.01 -0.68 1.43 -0.42 -1.33 118.68 120.06 2qm4 s LEU 37 Ca -0.09 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2qm4 s LEU 37 Cb -0.13 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 2qm4 s LEU 37 CO 0.03 0.23 -0.03 -0.69 0.23 0.00 0.00 176.35 176.12 2qm4 s VAL 38 N -0.17 0.29 -0.03 -1.59 1.01 -0.12 -1.11 120.40 118.68 2qm4 s VAL 38 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2qm4 s VAL 38 Cb -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.99 2qm4 s VAL 38 CO 0.03 0.09 0.10 -0.55 0.00 0.00 0.00 175.10 174.77 2qm4 s SER 39 N 0.02 -0.05 -0.05 3.32 0.15 0.43 0.37 113.70 117.89 2qm4 s SER 39 Ca 0.00 0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.89 2qm4 s SER 39 Cb -0.03 0.21 0.58 0.00 -1.71 0.00 0.00 66.02 65.08 2qm4 s SER 39 CO -0.00 -0.13 1.50 -0.90 1.20 0.00 0.00 173.24 174.90 2qm4 n ASP 40 N 2.56 3.99 0.00 5.45 5.75 -1.05 -0.09 116.55 133.17 2qm4 n ASP 40 Ca -0.16 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 2qm4 n ASP 40 Cb 0.58 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.05 0.00 -0.08 -2.12 4.77 -1.26 -4.76 117.00 114.61 2qm4 n LEU 41 Ca 0.22 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 2qm4 n LEU 41 Cb 0.69 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2qm4 n LEU 41 CO 0.17 0.00 -1.02 1.67 -1.33 0.00 0.00 177.39 176.88 2qm4 n GLN 42 N -2.00 0.36 -4.36 3.23 -0.06 -1.26 -5.05 117.38 108.24 2qm4 n GLN 42 Ca 0.00 0.11 -0.19 0.00 -2.00 0.00 0.00 57.00 54.92 2qm4 n GLN 42 Cb 0.00 -1.21 -0.10 0.00 -4.06 0.00 0.00 30.24 24.87 2qm4 n GLN 42 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2qm4 s GLN 43 N -2.30 1.38 -0.09 3.69 -0.21 -1.26 -5.14 119.66 115.72 2qm4 s GLN 43 Ca -0.21 -1.62 0.03 0.00 0.02 0.00 0.00 55.36 53.57 2qm4 s GLN 43 Cb 0.07 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.93 2qm4 s GLN 43 CO 0.32 0.17 -0.18 0.08 -2.12 0.00 0.00 175.29 173.56 2qm4 s VAL 44 N -2.96 1.64 0.11 1.09 1.01 -1.26 -2.51 120.40 117.52 2qm4 s VAL 44 Ca 0.24 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2qm4 s VAL 44 Cb -0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2qm4 s VAL 44 CO 0.08 0.47 -0.17 0.26 0.00 0.00 0.00 175.10 175.73 2qm4 s TRP 45 N 0.59 2.55 0.01 5.22 0.51 0.16 -1.24 118.94 126.75 2qm4 s TRP 45 Ca -0.15 -0.25 0.04 0.00 -2.12 0.00 0.00 56.10 53.62 2qm4 s TRP 45 Cb -0.17 -1.36 -0.01 0.00 -0.81 0.00 0.00 33.47 31.12 2qm4 s TRP 45 CO 0.05 0.39 -0.11 -1.58 -0.51 0.00 0.00 176.95 175.18 2qm4 s HIS 46 N -1.14 0.99 0.00 -1.98 5.65 -1.26 -0.95 115.29 116.60 2qm4 s HIS 46 Ca 0.18 -0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.24 2qm4 s HIS 46 Cb -0.11 -0.62 -0.00 0.00 -1.18 0.00 0.00 32.58 30.67 2qm4 s HIS 46 CO 0.10 -0.01 -0.02 -2.00 -0.65 0.00 0.00 174.74 172.17 2qm4 s GLU 47 N -0.62 0.13 0.03 2.88 2.12 -0.44 -4.43 118.70 118.36 2qm4 s GLU 47 Ca 0.02 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.25 2qm4 s GLU 47 Cb -0.06 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 2qm4 s GLU 47 CO 0.00 0.01 -0.14 1.14 -0.54 0.00 0.00 175.26 175.73 2qm4 s GLN 48 N -0.28 0.99 0.04 4.30 -2.07 -1.26 0.20 119.66 121.58 2qm4 s GLN 48 Ca -0.02 -0.69 0.04 0.00 -1.82 0.00 0.00 55.36 52.86 2qm4 s GLN 48 Cb -0.02 -0.99 -0.02 0.00 -1.09 0.00 0.00 33.01 30.89 2qm4 s GLN 48 CO -0.00 0.25 -0.11 0.14 -1.32 0.00 0.00 175.29 174.25 2qm4 s VAL 49 N -0.71 0.85 0.06 3.63 -7.23 -0.69 -4.99 120.40 111.32 2qm4 s VAL 49 Ca 0.03 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 2qm4 s VAL 49 Cb -0.07 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 36.06 2qm4 s VAL 49 CO 0.01 -0.15 0.07 -0.90 -0.31 0.00 0.00 175.10 173.81 2qm4 n ASP 50 N 1.76 0.65 0.17 4.85 5.68 -1.26 -2.42 116.55 125.98 2qm4 n ASP 50 Ca -0.20 -1.18 0.02 0.00 -0.50 0.00 0.00 54.79 52.93 2qm4 n ASP 50 Cb 0.55 -0.03 0.31 0.00 -1.14 0.00 0.00 41.12 40.82 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 0.24 1.30 -0.03 2.12 1.35 -1.89 -2.08 112.91 113.91 2qm4 h THR 51 Ca -0.03 -1.48 -0.00 0.00 -0.55 0.00 0.00 66.41 64.34 2qm4 h THR 51 Cb 0.13 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2qm4 h THR 51 CO 0.05 0.42 0.00 0.28 -0.25 0.00 0.00 175.52 176.03 2qm4 h SER 52 N 0.00 0.05 0.08 5.36 0.02 -1.96 -0.90 113.55 116.20 2qm4 h SER 52 Ca -0.00 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2qm4 h SER 52 Cb 0.77 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2qm4 h SER 52 CO 0.06 0.31 -0.04 0.58 -1.14 0.00 0.00 176.83 176.60 2qm4 h VAL 53 N -0.21 0.98 -0.29 2.27 2.07 -1.95 -0.70 116.25 118.42 2qm4 h VAL 53 Ca 0.01 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.40 2qm4 h VAL 53 Cb 0.28 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 2qm4 h VAL 53 CO 0.00 0.05 -0.21 0.58 0.02 0.00 0.00 177.57 178.01 2qm4 h VAL 54 N -0.20 0.42 -0.43 2.57 2.07 -1.40 0.64 116.25 119.91 2qm4 h VAL 54 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2qm4 h VAL 54 Cb 0.17 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2qm4 h VAL 54 CO 0.02 0.00 0.14 -1.28 0.02 0.00 0.00 177.57 176.47 2qm4 h SER 55 N -0.19 0.12 -0.08 0.57 0.87 -1.01 0.44 113.55 114.27 2qm4 h SER 55 Ca 0.15 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2qm4 h SER 55 Cb 0.43 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2qm4 h SER 55 CO -0.41 0.10 0.03 -0.61 -0.53 0.00 0.00 176.83 175.42 2qm4 h GLN 56 N 0.29 0.12 -0.13 2.24 -0.00 -0.67 -2.75 115.11 114.21 2qm4 h GLN 56 Ca 0.21 -0.02 -0.21 0.00 -0.00 0.00 0.00 58.65 58.63 2qm4 h GLN 56 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.68 2qm4 h GLN 56 CO -0.23 0.22 -0.75 -0.09 0.00 0.00 0.00 178.83 177.98 2qm4 h ARG 57 N -0.02 0.67 -0.30 1.69 2.43 -0.75 -2.35 114.38 115.75 2qm4 h ARG 57 Ca 0.03 -0.54 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 2qm4 h ARG 57 Cb 0.15 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2qm4 h ARG 57 CO -0.00 1.16 -0.27 0.00 -1.51 0.00 0.00 179.97 179.34 2qm4 h ALA 58 N 0.69 0.97 -0.34 2.80 0.00 -0.98 -1.18 119.26 121.21 2qm4 h ALA 58 Ca -0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2qm4 h ALA 58 Cb 1.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2qm4 h ALA 58 CO 0.15 0.60 -0.36 0.87 0.00 0.00 0.00 179.25 180.52 2qm4 h LYS 59 N 0.52 0.79 -0.40 0.00 6.56 -1.51 -1.10 116.57 121.43 2qm4 h LYS 59 Ca 0.07 -0.39 -0.10 0.00 -1.06 0.00 0.00 60.65 59.17 2qm4 h LYS 59 Cb 0.74 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.39 2qm4 h LYS 59 CO 0.06 1.02 -0.14 1.49 -2.06 0.00 0.00 179.45 179.81 2qm4 h GLU 60 N 0.66 0.81 0.00 3.15 4.81 -1.26 -3.21 114.58 119.54 2qm4 h GLU 60 Ca 0.06 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2qm4 h GLU 60 Cb 0.90 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2qm4 h GLU 60 CO 0.08 0.96 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.83 2qm4 h LEU 61 N 0.62 0.00 -5.92 1.64 3.38 -1.21 -3.40 115.31 110.42 2qm4 h LEU 61 Ca 0.10 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.56 2qm4 h LEU 61 Cb 0.69 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.10 2qm4 h LEU 61 CO 0.05 0.01 -0.94 0.59 0.09 0.00 0.00 178.44 178.23 2qm4 n ASN 62 N -2.85 -0.72 0.25 -0.43 4.13 -0.42 -4.70 115.26 110.52 2qm4 n ASN 62 Ca 0.02 -2.67 0.12 0.00 1.68 0.00 0.00 54.58 53.73 2qm4 n ASN 62 Cb 0.53 -0.12 0.66 0.00 -1.54 0.00 0.00 39.78 39.31 2qm4 n ASN 62 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2qm4 h LYS 63 N 4.63 0.00 -0.91 3.52 1.57 -1.79 -2.49 116.57 121.10 2qm4 h LYS 63 Ca 0.11 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.26 2qm4 h LYS 63 Cb 0.93 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.90 2qm4 h LYS 63 CO 0.38 0.15 0.29 0.54 -0.57 0.00 0.00 179.45 180.23 2qm4 n ARG 64 N -3.57 3.00 -4.66 3.15 5.12 -1.26 -4.93 116.66 113.52 2qm4 n ARG 64 Ca -0.01 -3.59 -0.23 0.00 -1.93 0.00 0.00 57.85 52.08 2qm4 n ARG 64 Cb 0.29 -2.28 -0.15 0.00 -1.16 0.00 0.00 32.46 29.15 2qm4 n ARG 64 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2qm4 s LEU 65 N -3.75 2.07 0.00 0.55 2.96 -0.94 -5.10 118.68 114.48 2qm4 s LEU 65 Ca 0.60 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 2qm4 s LEU 65 Cb 0.48 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 46.38 2qm4 s LEU 65 CO 0.01 0.16 0.00 1.07 -1.32 0.00 0.00 176.35 176.27 2qm4 n THR 66 N 2.47 0.00 -1.30 3.68 5.66 -1.26 -4.95 114.28 118.59 2qm4 n THR 66 Ca -0.15 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.53 2qm4 n THR 66 Cb 0.54 0.10 0.09 0.00 -1.55 0.00 0.00 70.33 69.51 2qm4 n THR 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qm4 s ALA 67 N -1.58 2.17 1.00 1.79 0.00 -1.26 -5.04 121.76 118.84 2qm4 s ALA 67 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 2qm4 s ALA 67 Cb 0.00 -3.33 0.19 0.00 0.00 0.00 0.00 23.12 19.98 2qm4 s ALA 67 CO 0.00 -1.82 1.08 -1.25 0.00 0.00 0.00 175.76 173.76 2qm4 s PRO 68 N -4.59 0.37 0.25 0.00 0.04 -1.26 -4.84 135.00 124.97 2qm4 s PRO 68 Ca 0.64 0.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 2qm4 s PRO 68 Cb -0.20 -1.71 0.50 0.00 0.04 0.00 0.00 34.50 33.13 2qm4 s PRO 68 CO 0.52 -2.84 1.65 -1.35 0.04 0.00 0.00 177.00 175.01 2qm4 h PRO 69 N -1.98 0.15 -0.90 0.56 0.11 -1.94 -2.56 132.00 125.44 2qm4 h PRO 69 Ca -0.54 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.74 2qm4 h PRO 69 Cb 1.31 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 2qm4 h PRO 69 CO 0.53 0.10 0.47 0.00 -0.21 0.00 0.00 178.00 178.89 2qm4 h ALA 70 N 1.71 1.41 -0.05 -0.75 0.00 -1.94 0.18 119.26 119.81 2qm4 h ALA 70 Ca 0.44 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.31 2qm4 h ALA 70 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2qm4 h ALA 70 CO -0.64 -0.14 -0.60 0.00 0.00 0.00 0.00 179.25 177.88 2qm4 h ALA 71 N 1.61 0.90 -0.08 0.00 0.00 -1.82 -1.08 119.26 118.79 2qm4 h ALA 71 Ca 0.51 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2qm4 h ALA 71 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2qm4 h ALA 71 CO -0.40 0.73 -0.21 0.35 0.00 0.00 0.00 179.25 179.72 2qm4 h PHE 72 N 0.13 0.37 0.00 0.00 3.04 -1.07 -2.03 116.94 117.38 2qm4 h PHE 72 Ca -0.01 -0.14 -0.00 0.00 3.98 0.00 0.00 57.97 61.80 2qm4 h PHE 72 Cb 1.09 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.53 2qm4 h PHE 72 CO 0.02 0.82 -0.02 -0.07 -2.02 0.00 0.00 178.31 177.04 2qm4 h LEU 73 N -0.19 0.00 -0.20 0.59 3.38 -0.74 -1.09 115.31 117.06 2qm4 h LEU 73 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qm4 h LEU 73 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2qm4 h LEU 73 CO 0.05 0.02 -0.04 0.00 0.09 0.00 0.00 178.44 178.56 2qm4 h HIS 75 N 0.11 0.61 -0.79 0.00 -0.00 -0.89 -2.10 115.15 112.10 2qm4 h HIS 75 Ca 0.05 -0.07 0.16 0.00 -0.00 0.00 0.00 60.37 60.51 2qm4 h HIS 75 Cb 0.47 -0.17 -0.10 0.00 -0.00 0.00 0.00 27.41 27.61 2qm4 h HIS 75 CO 0.05 0.61 0.32 -0.07 -0.00 0.00 0.00 177.93 178.83 2qm4 h LEU 76 N 0.44 0.28 -0.81 0.26 3.38 -1.26 -0.24 115.31 117.36 2qm4 h LEU 76 Ca 0.11 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 2qm4 h LEU 76 Cb 0.30 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2qm4 h LEU 76 CO 0.00 0.08 -0.19 -0.78 0.09 0.00 0.00 178.44 177.65 2qm4 h ASP 77 N 0.44 0.69 0.38 -0.43 3.58 -1.26 -0.29 116.42 119.53 2qm4 h ASP 77 Ca 0.45 -0.23 -0.15 0.00 0.42 0.00 0.00 57.03 57.52 2qm4 h ASP 77 Cb 0.71 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2qm4 h ASP 77 CO -0.43 0.88 -0.62 0.78 -2.88 0.00 0.00 179.24 176.96 2qm4 h ASN 78 N 0.61 0.26 0.13 2.28 2.35 -0.53 -0.60 115.58 120.09 2qm4 h ASN 78 Ca 0.09 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.49 2qm4 h ASN 78 Cb 0.66 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 2qm4 h ASN 78 CO 0.05 0.82 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.84 2qm4 h LEU 79 N 0.17 0.62 0.00 1.61 3.38 -0.97 -3.40 115.31 116.72 2qm4 h LEU 79 Ca -0.01 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2qm4 h LEU 79 Cb 1.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2qm4 h LEU 79 CO 0.10 1.16 -0.17 0.25 0.09 0.00 0.00 178.44 179.86 2qm4 h LEU 80 N 0.36 0.00 -0.80 1.67 5.85 -0.86 -3.37 115.31 118.16 2qm4 h LEU 80 Ca -0.03 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2qm4 h LEU 80 Cb 1.32 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 2qm4 h LEU 80 CO 0.13 0.47 0.53 -0.09 -0.34 0.00 0.00 178.44 179.14 2qm4 h ARG 81 N -0.76 1.03 -0.87 1.25 9.65 -1.34 -1.23 114.38 122.10 2qm4 h ARG 81 Ca 0.00 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2qm4 h ARG 81 Cb 0.17 -0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 2qm4 h ARG 81 CO 0.00 0.68 0.58 -1.35 2.80 0.00 0.00 179.97 182.68 2qm4 h PRO 82 N 1.06 1.09 0.00 0.20 0.11 -1.78 -1.93 132.00 130.76 2qm4 h PRO 82 Ca 0.30 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 2qm4 h PRO 82 Cb -0.10 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.76 2qm4 h PRO 82 CO -0.07 0.72 -0.24 1.25 -0.21 0.00 0.00 178.00 179.45 2qm4 h LEU 83 N 1.12 0.00 0.00 2.35 5.85 -1.42 -2.67 115.31 120.55 2qm4 h LEU 83 Ca 0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2qm4 h LEU 83 Cb -0.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2qm4 h LEU 83 CO -0.09 0.24 -0.65 -0.07 -0.34 0.00 0.00 178.44 177.52 2qm4 h LEU 84 N 0.00 0.00 -0.01 2.25 3.38 -1.00 -3.32 115.31 116.61 2qm4 h LEU 84 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2qm4 h LEU 84 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2qm4 h LEU 84 CO 0.03 0.04 -1.09 0.11 0.09 0.00 0.00 178.44 177.62 2qm4 h LYS 85 N 0.00 0.20 -2.61 1.13 1.57 -1.12 -3.44 116.57 112.29 2qm4 h LYS 85 Ca -0.01 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 2qm4 h LYS 85 Cb 1.04 0.11 -0.27 0.00 0.08 0.00 0.00 32.23 33.18 2qm4 h LYS 85 CO 0.00 1.11 -0.35 -0.51 -0.57 0.00 0.00 179.45 179.13 2qm4 s ASP 86 N -7.00 -0.33 0.47 0.86 1.11 -1.03 -5.02 116.67 105.73 2qm4 s ASP 86 Ca -0.03 0.90 0.26 0.00 0.18 0.00 0.00 52.55 53.87 2qm4 s ASP 86 Cb 0.08 1.01 1.05 0.00 1.07 0.00 0.00 42.92 46.14 2qm4 s ASP 86 CO 0.86 -0.21 1.88 0.00 1.18 0.00 0.00 175.17 178.87 2qm4 h ALA 87 N 7.68 1.05 -0.15 5.23 0.00 -1.87 -3.17 119.26 128.03 2qm4 h ALA 87 Ca -0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qm4 h ALA 87 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2qm4 h ALA 87 CO 0.21 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2qm4 n ALA 88 N -2.21 2.75 -3.14 0.00 0.00 -1.26 -4.87 120.51 111.79 2qm4 n ALA 88 Ca -0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 53.44 52.66 2qm4 n ALA 88 Cb 0.39 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 2qm4 n ALA 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qm4 s HIS 89 N -1.50 3.06 -0.48 0.00 5.04 -1.20 -5.04 115.29 115.18 2qm4 s HIS 89 Ca 0.13 -0.51 -0.36 0.00 -1.54 0.00 0.00 55.06 52.78 2qm4 s HIS 89 Cb 0.09 -2.18 -0.14 0.00 0.04 0.00 0.00 32.58 30.39 2qm4 s HIS 89 CO 0.05 -0.35 2.27 -0.35 -2.34 0.00 0.00 174.74 174.01 2qm4 n PRO 90 N 4.73 0.71 -3.53 2.88 -0.04 -1.26 -4.89 135.00 133.59 2qm4 n PRO 90 Ca -0.17 0.17 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2qm4 n PRO 90 Cb 0.51 -2.22 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 2qm4 n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qm4 s SER 91 N 7.69 6.74 0.00 3.54 0.15 -1.26 -4.97 113.70 125.60 2qm4 s SER 91 Ca 1.14 0.89 0.28 0.00 0.70 0.00 0.00 55.95 58.95 2qm4 s SER 91 Cb -0.98 -2.23 1.02 0.00 -1.71 0.00 0.00 66.02 62.11 2qm4 s SER 91 CO 0.51 0.31 1.73 -0.62 1.20 0.00 0.00 173.24 176.36 2qm4 n GLU 92 N 2.01 0.94 -4.36 5.44 -0.58 -1.26 -4.93 120.64 117.90 2qm4 n GLU 92 Ca -0.14 -0.46 -0.24 0.00 -0.42 0.00 0.00 57.16 55.89 2qm4 n GLU 92 Cb 0.53 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.82 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 -2.38 3.09 -0.04 0.62 0.00 -1.26 -4.46 121.76 117.32 2qm4 s ALA 93 Ca 0.29 -1.87 0.06 0.00 0.00 0.00 0.00 51.96 50.44 2qm4 s ALA 93 Cb 0.20 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2qm4 s ALA 93 CO 0.47 0.16 -0.21 0.99 0.00 0.00 0.00 175.76 177.17 2qm4 s THR 94 N -2.47 2.49 -0.01 0.00 2.01 0.69 -4.97 115.64 113.39 2qm4 s THR 94 Ca 0.33 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.47 2qm4 s THR 94 Cb -0.03 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 2qm4 s THR 94 CO 0.18 0.58 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.09 2qm4 s PHE 95 N -0.57 2.38 0.27 4.92 0.40 -1.26 -1.02 117.98 123.10 2qm4 s PHE 95 Ca 0.08 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2qm4 s PHE 95 Cb -0.11 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 2qm4 s PHE 95 CO 0.00 0.04 0.17 -1.54 0.70 0.00 0.00 175.22 174.60 2qm4 s SER 96 N -0.81 1.07 -0.16 1.36 1.04 -0.97 -4.31 113.70 110.91 2qm4 s SER 96 Ca 0.11 -1.54 -0.09 0.00 0.48 0.00 0.00 55.95 54.91 2qm4 s SER 96 Cb -0.10 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.49 2qm4 s SER 96 CO 0.00 -0.91 0.40 0.00 0.98 0.00 0.00 173.24 173.71 2qm4 s ASP 98 N 1.39 0.44 -0.26 0.00 1.47 -0.76 -5.01 116.67 113.93 2qm4 s ASP 98 Ca -0.10 -0.37 -0.09 0.00 1.18 0.00 0.00 52.55 53.18 2qm4 s ASP 98 Cb -0.09 0.04 -0.04 0.00 -0.34 0.00 0.00 42.92 42.50 2qm4 s ASP 98 CO -0.12 -0.17 0.12 0.00 0.68 0.00 0.00 175.17 175.68 2qm4 s VAL 100 N 1.61 2.61 0.00 0.00 1.01 -0.85 -4.99 120.40 119.79 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 -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2qm4 s VAL 100 CO 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 175.10 174.84 2qm4 n ALA 101 N 4.46 0.00 1.48 5.51 0.00 -1.26 -1.40 120.51 129.30 2qm4 n ALA 101 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.46 2qm4 n ALA 101 Cb 0.42 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.26 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 5.70 1.07 -4.84 0.00 8.00 -1.26 -4.93 116.55 120.30 2qm4 n ASP 102 Ca 0.00 -1.66 -0.26 0.00 0.71 0.00 0.00 54.79 53.58 2qm4 n ASP 102 Cb 0.00 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.84 3.66 -0.08 2.24 0.00 -0.50 -4.05 121.76 121.20 2qm4 s ALA 103 Ca 0.28 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2qm4 s ALA 103 Cb 0.14 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2qm4 s ALA 103 CO 0.22 0.48 -0.21 -1.17 0.00 0.00 0.00 175.76 175.08 2qm4 s LEU 104 N -3.23 1.98 -0.25 0.00 0.20 -0.41 -2.01 118.68 114.95 2qm4 s LEU 104 Ca 0.32 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.69 2qm4 s LEU 104 Cb -0.10 -1.24 0.06 0.00 -0.43 0.00 0.00 46.19 44.47 2qm4 s LEU 104 CO 0.25 0.15 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.71 2qm4 s ILE 105 N 0.28 2.16 -0.22 6.68 1.01 -0.32 0.06 121.20 130.85 2qm4 s ILE 105 Ca -0.14 -1.59 -0.21 0.00 0.00 0.00 0.00 60.65 58.71 2qm4 s ILE 105 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 2qm4 s ILE 105 CO 0.06 0.01 0.66 -0.22 0.00 0.00 0.00 174.94 175.45 2qm4 s LEU 106 N 1.12 4.11 -0.07 2.97 2.96 -0.64 -1.83 118.68 127.29 2qm4 s LEU 106 Ca -0.08 0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 54.63 2qm4 s LEU 106 Cb -0.19 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2qm4 s LEU 106 CO -0.06 -0.34 0.07 -0.13 -1.32 0.00 0.00 176.35 174.58 2qm4 s ARG 107 N 2.22 3.16 -0.05 1.98 0.52 -0.39 -0.88 118.95 125.51 2qm4 s ARG 107 Ca 0.29 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.22 2qm4 s ARG 107 Cb -0.16 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 2qm4 s ARG 107 CO 0.09 0.71 -0.23 0.08 0.02 0.00 0.00 175.30 175.97 2qm4 s VAL 108 N -1.03 1.89 -0.11 3.52 1.01 0.41 -2.30 120.40 123.80 2qm4 s VAL 108 Ca 0.17 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2qm4 s VAL 108 Cb -0.12 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2qm4 s VAL 108 CO 0.07 0.53 -0.12 -0.60 0.00 0.00 0.00 175.10 174.98 2qm4 s ARG 109 N -0.22 1.88 0.00 2.72 3.52 -0.19 -2.51 118.95 124.14 2qm4 s ARG 109 Ca -0.01 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2qm4 s ARG 109 Cb -0.12 -1.71 -0.00 0.00 -1.56 0.00 0.00 34.95 31.55 2qm4 s ARG 109 CO 0.02 -0.15 0.00 0.45 -0.81 0.00 0.00 175.30 174.82 2qm4 n SER 110 N 4.48 -0.01 -4.09 -2.12 2.88 0.16 -0.22 113.62 114.70 2qm4 n SER 110 Ca -0.17 -1.02 -0.19 0.00 -1.33 0.00 0.00 58.87 56.15 2qm4 n SER 110 Cb 0.51 0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 2qm4 n SER 110 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2qm4 s GLU 111 N -2.01 0.86 -0.11 -1.46 2.02 -1.26 -0.11 118.70 116.62 2qm4 s GLU 111 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 2qm4 s GLU 111 Cb 0.00 -0.83 0.04 0.00 0.10 0.00 0.00 34.13 33.44 2qm4 s GLU 111 CO 0.00 0.21 0.05 -1.17 0.02 0.00 0.00 175.26 174.38 2qm4 s LEU 112 N -0.77 0.47 -1.19 1.80 2.96 -0.18 -4.77 118.68 117.01 2qm4 s LEU 112 Ca 0.02 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 2qm4 s LEU 112 Cb -0.06 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 2qm4 s LEU 112 CO 0.00 -0.28 0.85 -1.54 -1.32 0.00 0.00 176.35 174.06 2qm4 n SER 113 N 5.22 -3.39 0.00 3.68 3.41 -1.26 -2.56 113.62 118.72 2qm4 n SER 113 Ca -0.06 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 2qm4 n SER 113 Cb 0.49 -4.54 0.00 0.00 -0.26 0.00 0.00 64.21 59.91 2qm4 n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qm4 n GLY 114 N -1.39 1.12 3.80 5.00 0.00 -1.26 -5.00 105.19 107.46 2qm4 n GLY 114 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 3.75 0.39 0.99 1.43 -1.06 -5.11 118.68 119.07 2qm4 s LEU 115 Ca 0.00 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.63 2qm4 s LEU 115 Cb 0.00 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 2qm4 s LEU 115 CO 0.00 0.01 1.01 -2.16 0.23 0.00 0.00 176.35 175.45 2qm4 s PRO 116 N -3.48 4.26 -0.13 1.29 0.04 -1.26 -1.01 135.00 134.71 2qm4 s PRO 116 Ca 0.32 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2qm4 s PRO 116 Cb -0.09 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.91 2qm4 s PRO 116 CO 0.24 -0.04 -0.20 0.12 0.04 0.00 0.00 177.00 177.16 2qm4 s PHE 117 N -1.71 2.46 -0.04 0.56 2.19 0.84 -4.68 117.98 117.61 2qm4 s PHE 117 Ca 0.57 -1.21 0.05 0.00 0.33 0.00 0.00 56.93 56.66 2qm4 s PHE 117 Cb -0.20 -1.70 -0.01 0.00 -1.31 0.00 0.00 43.02 39.81 2qm4 s PHE 117 CO 0.25 -0.57 -0.18 0.71 1.83 0.00 0.00 175.22 177.26 2qm4 s TYR 118 N 0.84 1.76 0.02 10.12 2.02 -1.26 0.38 117.35 131.24 2qm4 s TYR 118 Ca -0.07 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 2qm4 s TYR 118 Cb -0.15 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2qm4 s TYR 118 CO -0.01 -0.13 -0.04 -0.46 -1.57 0.00 0.00 175.55 173.34 2qm4 s TRP 119 N -0.12 0.31 -0.10 2.71 -0.11 -1.05 -4.83 118.94 115.75 2qm4 s TRP 119 Ca -0.01 -0.32 0.03 0.00 1.22 0.00 0.00 56.10 57.03 2qm4 s TRP 119 Cb -0.10 -0.20 0.01 0.00 -1.50 0.00 0.00 33.47 31.67 2qm4 s TRP 119 CO 0.01 -0.09 -0.20 -0.80 -4.62 0.00 0.00 176.95 171.25 2qm4 s ASN 120 N -0.89 2.76 -0.47 5.86 0.01 -1.26 -0.44 114.94 120.51 2qm4 s ASN 120 Ca -0.08 -0.50 -0.18 0.00 -0.71 0.00 0.00 52.86 51.39 2qm4 s ASN 120 Cb -0.06 -1.26 0.04 0.00 0.41 0.00 0.00 41.25 40.38 2qm4 s ASN 120 CO -0.00 0.10 0.55 -0.36 -1.51 0.00 0.00 177.10 175.87 2qm4 s PHE 121 N 0.59 3.11 -0.34 2.20 0.40 -0.06 -5.00 117.98 118.89 2qm4 s PHE 121 Ca -0.14 -0.45 -0.16 0.00 -0.60 0.00 0.00 56.93 55.58 2qm4 s PHE 121 Cb -0.17 -3.27 -0.01 0.00 0.51 0.00 0.00 43.02 40.08 2qm4 s PHE 121 CO 0.04 -0.88 0.42 -1.01 0.70 0.00 0.00 175.22 174.49 2qm4 s HIS 122 N 2.41 3.20 0.26 0.36 3.76 -1.26 -1.63 115.29 122.39 2qm4 s HIS 122 Ca 0.14 0.10 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 2qm4 s HIS 122 Cb -0.18 -2.75 0.01 0.00 1.11 0.00 0.00 32.58 30.77 2qm4 s HIS 122 CO 0.13 -0.44 0.12 0.00 -0.85 0.00 0.00 174.74 173.69 2qm4 s LEU 125 N 0.00 4.23 0.58 0.00 1.43 -1.26 -1.29 118.68 122.37 2qm4 s LEU 125 Ca 0.09 0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 53.99 2qm4 s LEU 125 Cb -0.01 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2qm4 s LEU 125 CO 0.06 -0.18 1.13 0.00 0.23 0.00 0.00 176.35 177.59 2qm4 s ALA 126 N 1.32 2.63 0.67 4.21 0.00 -0.37 -4.69 121.76 125.53 2qm4 s ALA 126 Ca 0.32 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 2qm4 s ALA 126 Cb -0.16 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2qm4 s ALA 126 CO 0.13 -0.93 1.13 -1.54 0.00 0.00 0.00 175.76 174.55 2qm4 s SER 127 N -1.93 4.96 0.41 0.00 1.04 -1.26 -4.84 113.70 112.08 2qm4 s SER 127 Ca 0.72 2.07 0.19 0.00 0.48 0.00 0.00 55.95 59.41 2qm4 s SER 127 Cb -0.24 -2.56 1.13 0.00 0.10 0.00 0.00 66.02 64.45 2qm4 s SER 127 CO 0.31 -1.73 1.80 -0.65 0.98 0.00 0.00 173.24 173.94 2qm4 h PRO 128 N 0.00 0.36 -0.19 4.02 0.11 -1.99 -1.73 132.00 132.57 2qm4 h PRO 128 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 2qm4 h PRO 128 Cb 1.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2qm4 h PRO 128 CO 0.53 0.24 -0.33 1.03 -0.21 0.00 0.00 178.00 179.26 2qm4 h SER 129 N 0.37 0.41 0.14 -2.05 0.87 -1.99 -0.56 113.55 110.74 2qm4 h SER 129 Ca 0.56 -0.16 -0.28 0.00 -1.23 0.00 0.00 61.79 60.68 2qm4 h SER 129 Cb 1.46 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 63.33 2qm4 h SER 129 CO -0.24 0.73 -1.13 -0.07 -0.53 0.00 0.00 176.83 175.58 2qm4 h LEU 130 N 0.35 0.82 -0.44 2.23 3.38 -1.69 -2.47 115.31 117.49 2qm4 h LEU 130 Ca 0.04 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.32 2qm4 h LEU 130 Cb 0.76 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2qm4 h LEU 130 CO 0.06 1.52 0.26 0.58 0.09 0.00 0.00 178.44 180.95 2qm4 h VAL 131 N 0.31 1.04 -0.45 1.22 2.07 -1.27 0.27 116.25 119.43 2qm4 h VAL 131 Ca -0.15 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 2qm4 h VAL 131 Cb 1.80 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2qm4 h VAL 131 CO 0.21 0.10 -0.10 -1.28 0.02 0.00 0.00 177.57 176.52 2qm4 h SER 132 N 0.52 0.86 -0.25 0.57 0.87 -1.16 -1.37 113.55 113.59 2qm4 h SER 132 Ca 0.18 -0.36 -0.18 0.00 -1.23 0.00 0.00 61.79 60.20 2qm4 h SER 132 Cb 0.02 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2qm4 h SER 132 CO -0.08 1.02 -0.52 -0.61 -0.53 0.00 0.00 176.83 176.11 2qm4 h GLN 133 N 0.69 0.84 0.00 2.24 4.15 -1.18 -0.09 115.11 121.76 2qm4 h GLN 133 Ca 0.11 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2qm4 h GLN 133 Cb 0.64 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.38 2qm4 h GLN 133 CO 0.04 1.15 -1.17 0.72 -1.93 0.00 0.00 178.83 177.64 2qm4 n HIS 134 N -4.01 0.10 0.09 3.99 8.25 0.06 -4.43 115.22 119.27 2qm4 n HIS 134 Ca -0.04 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2qm4 n HIS 134 Cb 0.61 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.83 0.14 0.18 2.41 4.77 -0.58 -4.84 117.00 117.26 2qm4 n LEU 135 Ca 0.02 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 2qm4 n LEU 135 Cb 0.42 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 2qm4 n LEU 135 CO 0.42 -0.70 0.70 0.40 -1.33 0.00 0.00 177.39 176.87 2qm4 h ILE 136 N 0.00 0.71 0.15 -0.08 2.04 -1.22 0.02 117.51 119.13 2qm4 h ILE 136 Ca 0.00 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2qm4 h ILE 136 Cb 0.00 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2qm4 h ILE 136 CO 0.00 0.04 -0.07 0.03 0.00 0.00 0.00 178.15 178.15 2qm4 h ARG 137 N -0.54 -0.20 -0.46 2.37 3.08 -1.29 -3.17 114.38 114.18 2qm4 h ARG 137 Ca -0.04 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.06 2qm4 h ARG 137 Cb 0.40 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 2qm4 h ARG 137 CO 0.07 0.11 0.21 -1.00 -1.07 0.00 0.00 179.97 178.30 2qm4 h PRO 138 N -0.52 0.41 -1.12 0.04 0.13 -1.76 0.21 132.00 129.40 2qm4 h PRO 138 Ca -0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2qm4 h PRO 138 Cb 0.40 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2qm4 h PRO 138 CO 0.03 0.27 0.00 1.28 -0.23 0.00 0.00 178.00 179.36 2qm4 n LEU 139 N -4.93 0.00 -0.43 1.56 4.77 -0.01 -4.63 117.00 113.33 2qm4 n LEU 139 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2qm4 n LEU 139 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2qm4 n LEU 139 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2qm4 n GLY 141 N 0.73 0.00 0.77 -0.72 0.00 0.72 -4.70 105.19 101.98 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 0.77 0.00 -0.22 1.61 7.64 -1.26 -1.00 113.62 121.16 2qm4 n SER 143 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2qm4 n SER 143 Cb 0.00 0.00 0.04 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 0.74 -0.28 -3.43 3.38 -1.95 -1.31 115.31 112.45 2qm4 h LEU 144 Ca 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2qm4 h LEU 144 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2qm4 h LEU 144 CO 0.00 0.56 0.03 0.00 0.09 0.00 0.00 178.44 179.11 2qm4 h ALA 145 N 1.22 0.38 -0.24 1.53 0.00 -1.47 -2.05 119.26 118.63 2qm4 h ALA 145 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2qm4 h ALA 145 Cb -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qm4 h ALA 145 CO -0.05 0.09 -0.11 -0.07 0.00 0.00 0.00 179.25 179.11 2qm4 h LEU 146 N 0.28 0.37 -0.66 0.00 3.38 -1.80 -1.63 115.31 115.26 2qm4 h LEU 146 Ca 0.08 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2qm4 h LEU 146 Cb 0.38 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2qm4 h LEU 146 CO 0.01 0.52 0.14 -0.61 0.09 0.00 0.00 178.44 178.59 2qm4 h GLN 147 N 0.36 1.06 -0.79 1.13 5.75 -1.05 -1.35 115.11 120.22 2qm4 h GLN 147 Ca 0.07 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2qm4 h GLN 147 Cb 0.43 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 2qm4 h GLN 147 CO 0.02 0.96 0.41 0.00 -2.65 0.00 0.00 178.83 177.57 2qm4 h GLN 149 N 1.11 -0.03 -0.57 0.00 4.20 -1.01 -1.44 115.11 117.36 2qm4 h GLN 149 Ca 0.27 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.04 2qm4 h GLN 149 Cb 0.08 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 2qm4 h GLN 149 CO -0.04 -0.02 0.29 0.28 -0.67 0.00 0.00 178.83 178.66 2qm4 h VAL 150 N -0.04 0.94 -0.36 -0.54 2.07 -1.06 -0.34 116.25 116.92 2qm4 h VAL 150 Ca 0.07 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2qm4 h VAL 150 Cb 0.14 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2qm4 h VAL 150 CO -0.16 0.10 0.05 0.03 0.02 0.00 0.00 177.57 177.61 2qm4 h ARG 151 N 0.54 0.54 -0.29 1.57 3.08 -1.05 -0.61 114.38 118.16 2qm4 h ARG 151 Ca 0.26 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 2qm4 h ARG 151 Cb 0.18 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2qm4 h ARG 151 CO -0.18 0.53 -0.23 0.93 -1.07 0.00 0.00 179.97 179.95 2qm4 h GLU 152 N 0.53 0.67 -0.33 0.04 5.08 -0.15 -1.97 114.58 118.45 2qm4 h GLU 152 Ca 0.12 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2qm4 h GLU 152 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2qm4 h GLU 152 CO 0.00 0.93 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.69 2qm4 h LEU 153 N 0.42 0.62 -0.48 1.33 3.38 -0.99 -1.84 115.31 117.75 2qm4 h LEU 153 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2qm4 h LEU 153 Cb 0.78 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2qm4 h LEU 153 CO 0.06 0.81 0.27 0.00 0.09 0.00 0.00 178.44 179.67 2qm4 h ALA 154 N 1.24 0.61 -0.87 1.53 0.00 -1.09 -1.28 119.26 119.41 2qm4 h ALA 154 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qm4 h ALA 154 Cb 0.63 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2qm4 h ALA 154 CO 0.04 0.13 0.44 1.15 0.00 0.00 0.00 179.25 181.01 2qm4 h THR 155 N 0.64 1.26 -0.33 0.00 2.02 -1.08 -2.26 112.91 113.15 2qm4 h THR 155 Ca 0.17 -0.70 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 2qm4 h THR 155 Cb 0.04 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2qm4 h THR 155 CO -0.03 0.31 -0.23 0.25 0.37 0.00 0.00 175.52 176.19 2qm4 h LEU 156 N 1.23 0.78 -0.85 2.58 5.85 -1.25 -2.99 115.31 120.66 2qm4 h LEU 156 Ca 0.30 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2qm4 h LEU 156 Cb 0.09 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 2qm4 h LEU 156 CO -0.04 1.05 0.53 -0.07 -0.34 0.00 0.00 178.44 179.57 2qm4 h LEU 157 N 0.52 0.85 -1.95 2.25 3.38 -1.13 -1.02 115.31 118.21 2qm4 h LEU 157 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qm4 h LEU 157 Cb 0.79 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qm4 h LEU 157 CO 0.06 0.55 0.00 1.57 0.09 0.00 0.00 178.44 180.72 2qm4 n HIS 158 N -4.61 0.00 0.00 1.13 -0.00 -0.86 -1.63 115.22 109.25 2qm4 n HIS 158 Ca 0.12 -0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.08 2qm4 n HIS 158 Cb 0.15 -0.16 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2qm4 n HIS 158 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qm4 n LYS 160 N 0.75 0.00 -0.21 1.57 5.02 -0.39 -1.95 118.16 122.95 2qm4 n LYS 160 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2qm4 n LYS 160 Cb 0.22 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.30 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 0.55 -0.78 4.39 3.32 -1.57 0.13 116.42 122.46 2qm4 h ASP 161 Ca 0.00 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2qm4 h ASP 161 Cb 0.00 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2qm4 h ASP 161 CO 0.00 0.37 0.51 -0.07 -1.72 0.00 0.00 179.24 178.33 2qm4 h LEU 162 N 0.68 0.84 -0.24 1.55 4.07 -1.68 0.87 115.31 121.40 2qm4 h LEU 162 Ca 0.27 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 58.07 2qm4 h LEU 162 Cb 0.12 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.66 2qm4 h LEU 162 CO -0.15 0.58 -0.43 -0.33 -1.08 0.00 0.00 178.44 177.04 2qm4 h GLU 163 N 0.97 0.70 0.04 1.13 5.08 -1.65 -2.25 114.58 118.61 2qm4 h GLU 163 Ca 0.30 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2qm4 h GLU 163 Cb 0.01 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qm4 h GLU 163 CO -0.08 1.06 -0.05 0.82 -1.00 0.00 0.00 179.01 179.76 2qm4 h ILE 164 N 0.42 0.89 0.00 3.13 2.04 -0.45 -1.83 117.51 121.72 2qm4 h ILE 164 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2qm4 h ILE 164 Cb 1.03 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2qm4 h ILE 164 CO 0.10 0.00 -0.04 0.06 0.00 0.00 0.00 178.15 178.26 2qm4 h GLN 165 N -0.10 0.00 -0.03 2.37 3.07 -0.84 -0.35 115.11 119.24 2qm4 h GLN 165 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.56 2qm4 h GLN 165 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.65 2qm4 h GLN 165 CO -0.02 0.04 -0.80 -0.44 0.09 0.00 0.00 178.83 177.71 2qm4 h ASP 166 N 0.00 0.31 0.43 0.06 3.32 -0.91 -3.26 116.42 116.37 2qm4 h ASP 166 Ca -0.00 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 2qm4 h ASP 166 Cb 0.15 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2qm4 h ASP 166 CO 0.01 0.98 -0.11 1.88 -1.72 0.00 0.00 179.24 180.28 2qm4 h TYR 167 N 0.16 0.00 -1.37 4.55 0.05 -0.23 -3.22 116.97 116.90 2qm4 h TYR 167 Ca -0.04 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 58.00 2qm4 h TYR 167 Cb 1.39 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.99 2qm4 h TYR 167 CO 0.03 0.11 2.00 1.04 -1.05 0.00 0.00 178.16 180.30 2qm4 n GLN 168 N -3.55 3.43 0.02 4.88 6.02 -1.16 -4.68 117.38 122.33 2qm4 n GLN 168 Ca -0.02 -3.48 0.11 0.00 -0.01 0.00 0.00 57.00 53.61 2qm4 n GLN 168 Cb 0.24 -3.05 -0.04 0.00 1.02 0.00 0.00 30.24 28.42 2qm4 n GLN 168 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2qm4 n GLU 169 N 4.96 0.29 -3.52 -1.09 -0.58 -1.22 -5.02 120.64 114.46 2qm4 n GLU 169 Ca 0.41 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 2qm4 n GLU 169 Cb 0.39 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 2qm4 n GLU 169 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2qm4 s LEU 174 N -3.85 -0.42 0.51 -4.62 1.43 -1.26 -5.22 118.68 105.26 2qm4 s LEU 174 Ca 0.03 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2qm4 s LEU 174 Cb 0.15 1.55 -0.01 0.00 0.03 0.00 0.00 46.19 47.90 2qm4 s LEU 174 CO 0.83 -0.09 0.01 -0.63 0.23 0.00 0.00 176.35 176.70 2qm4 s ILE 175 N 1.74 1.07 -0.02 -0.59 1.01 -1.26 -5.09 121.20 118.06 2qm4 s ILE 175 Ca -0.06 -2.00 -0.37 0.00 0.00 0.00 0.00 60.65 58.22 2qm4 s ILE 175 Cb -0.04 -2.11 -0.16 0.00 0.01 0.00 0.00 42.46 40.16 2qm4 s ILE 175 CO -0.15 0.00 1.50 0.54 0.00 0.00 0.00 174.94 176.83 2qm4 n ARG 176 N -1.27 1.28 0.22 2.79 3.00 -1.26 -4.87 116.66 116.56 2qm4 n ARG 176 Ca -0.20 0.47 0.07 0.00 -0.01 0.00 0.00 57.85 58.18 2qm4 n ARG 176 Cb 0.67 -2.14 0.50 0.00 0.00 0.00 0.00 32.46 31.49 2qm4 n ARG 176 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2qm4 h ASP 177 N 5.65 0.00 0.67 0.55 3.32 -1.98 -2.32 116.42 122.31 2qm4 h ASP 177 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2qm4 h ASP 177 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2qm4 h ASP 177 CO 0.85 0.25 0.00 -2.11 -1.72 0.00 0.00 179.24 176.51 2qm4 n ARG 178 N -3.92 0.10 -0.06 3.56 0.00 -1.26 -2.06 116.66 113.02 2qm4 n ARG 178 Ca -0.02 0.10 0.12 0.00 -0.00 0.00 0.00 57.85 58.06 2qm4 n ARG 178 Cb 0.33 -1.50 0.28 0.00 -0.00 0.00 0.00 32.46 31.57 2qm4 n ARG 178 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2qm4 n LEU 179 N -1.44 2.53 -4.70 2.89 4.77 -0.87 -4.92 117.00 115.26 2qm4 n LEU 179 Ca 0.07 -0.95 -0.39 0.00 -0.03 0.00 0.00 56.01 54.72 2qm4 n LEU 179 Cb 0.24 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2qm4 n LEU 179 CO 0.20 0.47 0.24 -0.54 -1.33 0.00 0.00 177.39 176.43 2qm4 s LYS 180 N -1.84 4.30 0.57 3.23 1.02 -0.87 -5.07 119.74 121.07 2qm4 s LYS 180 Ca 0.34 0.52 -0.09 0.00 0.02 0.00 0.00 55.97 56.76 2qm4 s LYS 180 Cb 0.20 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2qm4 s LYS 180 CO 0.31 0.02 0.93 0.95 -0.92 0.00 0.00 175.35 176.64 2qm4 s THR 181 N 1.06 4.76 0.21 2.17 -4.23 -1.26 -5.04 115.64 113.31 2qm4 s THR 181 Ca 0.27 0.59 -0.30 0.00 -1.18 0.00 0.00 61.69 61.08 2qm4 s THR 181 Cb -0.16 -3.86 -0.08 0.00 1.34 0.00 0.00 72.50 69.74 2qm4 s THR 181 CO 0.11 -1.01 1.16 -1.61 -0.54 0.00 0.00 174.62 172.72 2qm4 s GLU 182 N -5.01 4.54 0.52 3.99 2.02 -1.26 -5.00 118.70 118.51 2qm4 s GLU 182 Ca 0.52 1.83 -0.22 0.00 0.02 0.00 0.00 54.97 57.12 2qm4 s GLU 182 Cb -0.11 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.83 2qm4 s GLU 182 CO 0.50 0.02 1.26 -2.30 0.02 0.00 0.00 175.26 174.76 2qm4 n PRO 183 N 2.10 1.62 -2.90 0.39 -0.02 -1.26 -4.92 135.00 130.02 2qm4 n PRO 183 Ca 0.02 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 2qm4 n PRO 183 Cb 0.45 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.30 3.62 -0.14 6.00 5.36 -1.26 -5.03 117.98 125.22 2qm4 s PHE 184 Ca 0.69 1.45 -0.00 0.00 -0.96 0.00 0.00 56.93 58.11 2qm4 s PHE 184 Cb -0.45 -2.94 0.03 0.00 -0.34 0.00 0.00 43.02 39.32 2qm4 s PHE 184 CO 0.52 0.05 -0.09 -1.21 -1.46 0.00 0.00 175.22 173.03 2qm4 s GLU 185 N 0.88 1.72 0.09 10.12 2.02 -1.26 -4.89 118.70 127.37 2qm4 s GLU 185 Ca 0.44 -0.44 -0.19 0.00 0.02 0.00 0.00 54.97 54.80 2qm4 s GLU 185 Cb -0.19 -1.88 -0.08 0.00 0.10 0.00 0.00 34.13 32.07 2qm4 s GLU 185 CO 0.22 -0.32 1.57 1.05 0.02 0.00 0.00 175.26 177.81 2qm4 h GLU 186 N 8.12 0.38 -0.58 1.61 4.11 -1.96 -1.25 114.58 125.01 2qm4 h GLU 186 Ca -0.30 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.02 2qm4 h GLU 186 Cb 1.12 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2qm4 h GLU 186 CO 0.44 0.50 0.32 -0.91 0.07 0.00 0.00 179.01 179.43 2qm4 h ASN 187 N 0.20 0.73 -0.16 3.06 2.35 -1.99 -0.11 115.58 119.66 2qm4 h ASN 187 Ca 0.07 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 2qm4 h ASN 187 Cb 0.30 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2qm4 h ASN 187 CO 0.00 0.62 -0.30 -1.28 -1.65 0.00 0.00 177.43 174.82 2qm4 h SER 188 N 0.79 0.67 -0.01 5.81 0.87 -1.99 0.59 113.55 120.29 2qm4 h SER 188 Ca 0.21 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2qm4 h SER 188 Cb 0.05 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 2qm4 h SER 188 CO -0.03 0.93 -0.16 0.15 -0.53 0.00 0.00 176.83 177.19 2qm4 h PHE 189 N 0.56 -0.42 -0.24 2.24 3.57 -0.82 -1.29 116.94 120.54 2qm4 h PHE 189 Ca 0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2qm4 h PHE 189 Cb 0.79 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2qm4 h PHE 189 CO 0.04 -0.24 0.14 -0.07 -2.23 0.00 0.00 178.31 175.95 2qm4 h LEU 190 N -0.26 0.22 -0.21 0.59 3.38 -0.78 -0.87 115.31 117.39 2qm4 h LEU 190 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qm4 h LEU 190 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2qm4 h LEU 190 CO -0.16 0.17 0.10 -0.33 0.09 0.00 0.00 178.44 178.31 2qm4 h GLU 191 N 0.29 0.22 -0.62 1.13 5.08 -0.85 -2.66 114.58 117.16 2qm4 h GLU 191 Ca 0.09 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2qm4 h GLU 191 Cb -0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2qm4 h GLU 191 CO -0.04 0.14 0.39 0.37 -1.00 0.00 0.00 179.01 178.87 2qm4 h GLN 192 N 0.22 0.74 -0.92 2.33 4.15 -1.05 -2.31 115.11 118.28 2qm4 h GLN 192 Ca 0.08 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2qm4 h GLN 192 Cb 0.01 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.54 2qm4 h GLN 192 CO -0.05 0.49 0.00 0.34 -1.93 0.00 0.00 178.83 177.68 2qm4 n PHE 193 N -4.71 0.00 0.00 3.99 -0.00 -0.35 -0.52 117.46 115.87 2qm4 n PHE 193 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2qm4 n PHE 193 Cb 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.49 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 0.64 0.00 -0.01 -2.13 5.41 -0.87 -0.13 119.36 122.27 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 0.06 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.85 2qm4 n ILE 195 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2qm4 h GLU 196 N 0.00 0.08 0.00 0.38 5.08 -1.06 -3.44 114.58 115.62 2qm4 h GLU 196 Ca 0.00 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 58.01 2qm4 h GLU 196 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2qm4 h GLU 196 CO 0.00 0.71 -1.82 1.63 -1.00 0.00 0.00 179.01 178.54 2qm4 n LYS 197 N -3.18 0.64 -0.25 2.33 4.76 0.81 -4.76 118.16 118.51 2qm4 n LYS 197 Ca -0.20 0.07 0.05 0.00 -2.87 0.00 0.00 58.31 55.36 2qm4 n LYS 197 Cb 1.05 -1.29 0.18 0.00 -1.84 0.00 0.00 35.03 33.13 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 0.01 -0.61 -0.35 5.85 -1.11 -1.29 115.31 117.81 2qm4 h LEU 198 Ca -0.32 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.66 2qm4 h LEU 198 Cb 1.53 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 2qm4 h LEU 198 CO -0.04 -0.04 0.16 -0.65 -0.34 0.00 0.00 178.44 177.53 2qm4 h PRO 199 N 0.27 0.29 0.11 5.25 0.11 -1.87 -1.51 132.00 134.65 2qm4 h PRO 199 Ca 0.41 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 66.24 2qm4 h PRO 199 Cb 0.70 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2qm4 h PRO 199 CO -0.51 0.19 -1.20 0.93 -0.21 0.00 0.00 178.00 177.20 2qm4 h GLU 200 N 0.29 0.25 0.00 1.05 5.08 -1.81 -3.29 114.58 116.14 2qm4 h GLU 200 Ca 0.32 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2qm4 h GLU 200 Cb 0.47 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2qm4 h GLU 200 CO -0.39 1.19 -0.15 0.00 -1.00 0.00 0.00 179.01 178.67 2qm4 h ALA 201 N 0.63 1.21 -0.00 3.43 0.00 -0.85 -3.05 119.26 120.64 2qm4 h ALA 201 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qm4 h ALA 201 Cb 1.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2qm4 h ALA 201 CO 0.19 0.19 -0.90 0.00 0.00 0.00 0.00 179.25 178.73 2qm4 s SER 203 N -2.80 6.58 0.14 0.00 1.04 -1.15 -4.91 113.70 112.59 2qm4 s SER 203 Ca 0.08 2.54 0.23 0.00 0.48 0.00 0.00 55.95 59.28 2qm4 s SER 203 Cb 0.15 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.87 2qm4 s SER 203 CO 0.78 -0.89 1.18 0.16 0.98 0.00 0.00 173.24 175.44 2qm4 h ILE 204 N 4.69 0.00 0.00 -1.02 3.07 -1.92 -3.49 117.51 118.84 2qm4 h ILE 204 Ca -0.43 -0.68 0.00 0.00 1.55 0.00 0.00 64.86 65.30 2qm4 h ILE 204 Cb 1.20 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 2qm4 h ILE 204 CO 0.93 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.64 2qm4 n GLY 205 N 1.28 3.17 0.85 0.16 0.00 -1.26 -0.99 105.19 108.40 2qm4 n GLY 205 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 3.71 2.45 0.00 1.61 5.68 -1.26 -4.88 116.55 123.86 2qm4 n ASP 206 Ca 0.00 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 2qm4 n ASP 206 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 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 1.01 1.09 0.16 6.12 0.00 -0.16 -4.79 105.19 108.62 2qm4 n GLY 207 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 3.52 0.45 -1.00 1.61 3.64 -1.90 -2.86 116.57 120.02 2qm4 h LYS 208 Ca 0.00 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2qm4 h LYS 208 Cb 0.00 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.66 2qm4 h LYS 208 CO 0.00 0.43 0.64 -1.00 -2.27 0.00 0.00 179.45 177.24 2qm4 h PRO 209 N 0.37 1.04 -0.86 1.90 0.13 -1.93 -2.60 132.00 130.04 2qm4 h PRO 209 Ca 0.11 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2qm4 h PRO 209 Cb 0.12 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 30.97 2qm4 h PRO 209 CO -0.01 0.68 0.56 0.35 -0.23 0.00 0.00 178.00 179.35 2qm4 h PHE 210 N 1.07 1.05 0.00 1.56 3.57 -1.82 0.15 116.94 122.51 2qm4 h PHE 210 Ca 0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.00 2qm4 h PHE 210 Cb 0.37 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2qm4 h PHE 210 CO -0.00 0.61 0.00 0.28 -2.23 0.00 0.00 178.31 176.96 2qm4 n VAL 211 N -4.54 0.00 0.00 1.41 0.31 -0.98 -1.62 118.33 112.91 2qm4 n VAL 211 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2qm4 n VAL 211 Cb 0.08 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.16 0.00 -0.37 4.52 3.02 0.53 -4.28 115.26 118.84 2qm4 n ASN 213 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 2qm4 n ASN 213 Cb 0.08 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.41 2.40 0.08 3.41 4.77 -0.64 -4.75 117.00 121.85 2qm4 n LEU 214 Ca 0.00 -1.84 -0.08 0.00 -0.03 0.00 0.00 56.01 54.06 2qm4 n LEU 214 Cb 0.00 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 2qm4 n LEU 214 CO 0.00 0.59 0.15 1.56 -1.33 0.00 0.00 177.39 178.36 2qm4 h GLN 215 N 1.24 0.06 -0.12 3.23 1.08 -1.74 0.93 115.11 119.78 2qm4 h GLN 215 Ca 0.00 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2qm4 h GLN 215 Cb 0.58 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2qm4 h GLN 215 CO 0.00 0.99 0.06 -0.44 -0.95 0.00 0.00 178.83 178.49 2qm4 h ASP 216 N 0.02 0.08 -0.41 1.46 3.32 -1.93 -2.83 116.42 116.14 2qm4 h ASP 216 Ca -0.03 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2qm4 h ASP 216 Cb 1.71 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.24 2qm4 h ASP 216 CO 0.14 0.07 0.09 0.25 -1.72 0.00 0.00 179.24 178.07 2qm4 h LEU 217 N 0.13 0.63 -0.43 1.55 5.85 -1.89 -1.72 115.31 119.43 2qm4 h LEU 217 Ca 0.05 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2qm4 h LEU 217 Cb 0.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2qm4 h LEU 217 CO -0.04 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.77 2qm4 n TYR 218 N -4.54 0.00 0.00 1.25 9.36 0.31 -1.48 117.16 122.07 2qm4 n TYR 218 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2qm4 n TYR 218 Cb 0.21 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 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 -0.03 0.00 -0.01 2.98 0.00 -0.65 -1.90 120.51 120.90 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 1.58 -0.46 0.00 2.07 -1.54 -2.52 116.25 115.38 2qm4 h VAL 221 Ca 0.00 -2.19 0.02 0.00 0.82 0.00 0.00 66.70 65.35 2qm4 h VAL 221 Cb 0.00 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 2qm4 h VAL 221 CO 0.00 0.60 0.27 0.71 0.02 0.00 0.00 177.57 179.17 2qm4 h THR 222 N -0.54 1.05 -0.64 2.57 1.35 -1.65 -1.94 112.91 113.11 2qm4 h THR 222 Ca -0.06 -0.19 0.14 0.00 -0.55 0.00 0.00 66.41 65.75 2qm4 h THR 222 Cb 1.19 0.46 -0.11 0.00 -1.73 0.00 0.00 68.15 67.95 2qm4 h THR 222 CO 0.07 0.10 -0.04 0.74 -0.25 0.00 0.00 175.52 176.14 2qm4 h THR 223 N 0.54 0.43 -0.43 6.82 2.02 -1.83 -2.82 112.91 117.65 2qm4 h THR 223 Ca 0.18 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 2qm4 h THR 223 Cb 0.01 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2qm4 h THR 223 CO -0.08 0.01 0.26 -0.61 0.37 0.00 0.00 175.52 175.47 2qm4 h GLN 224 N 0.08 0.58 -0.41 6.66 5.75 -0.99 -3.23 115.11 123.55 2qm4 h GLN 224 Ca 0.33 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.70 2qm4 h GLN 224 Cb 0.54 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2qm4 h GLN 224 CO -0.58 0.43 -0.08 0.93 -2.65 0.00 0.00 178.83 176.88 2qm4 h GLU 225 N 0.57 0.71 -1.08 1.69 5.08 -1.12 -3.17 114.58 117.25 2qm4 h GLU 225 Ca 0.15 -0.21 0.29 0.00 -1.00 0.00 0.00 59.36 58.60 2qm4 h GLU 225 Cb -0.01 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 2qm4 h GLU 225 CO -0.03 0.77 0.72 -0.39 -1.00 0.00 0.00 179.01 179.09 2qm4 h VAL 226 N 0.65 0.48 0.00 3.13 -1.51 -1.53 -3.52 116.25 113.95 2qm4 h VAL 226 Ca 0.12 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 2qm4 h VAL 226 Cb 0.52 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 2qm4 h VAL 226 CO 0.03 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.41