#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wx6 h ALA 14 N 0.00 1.23 -0.18 2.24 0.00 -2.02 -3.10 119.26 117.43 2wx6 h ALA 14 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2wx6 h ALA 14 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wx6 h ALA 14 CO 0.00 0.48 0.50 0.00 0.00 0.00 0.00 179.25 180.24 2wx6 h ARG 15 N 0.00 0.00 -0.01 0.00 3.08 -1.98 -1.89 114.38 113.57 2wx6 h ARG 15 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wx6 h ARG 15 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2wx6 h ARG 15 CO 0.05 0.00 -0.37 0.09 -1.07 0.00 0.00 179.97 178.67 2wx6 n ASN 16 N -3.09 1.64 -4.77 7.04 5.03 -1.17 0.08 115.26 120.02 2wx6 n ASN 16 Ca 0.02 -1.28 -0.40 0.00 0.87 0.00 0.00 54.58 53.79 2wx6 n ASN 16 Cb 0.60 0.32 -0.03 0.00 -1.02 0.00 0.00 39.78 39.65 2wx6 n ASN 16 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2wx6 s GLU 17 N -2.46 4.44 0.04 3.52 2.12 -0.71 -4.82 118.70 120.83 2wx6 s GLU 17 Ca 0.22 2.01 0.07 0.00 0.36 0.00 0.00 54.97 57.63 2wx6 s GLU 17 Cb 0.19 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 2wx6 s GLU 17 CO 0.54 -0.04 -0.18 0.15 -0.54 0.00 0.00 175.26 175.18 2wx6 s LYS 18 N -1.71 2.06 -0.10 4.30 1.02 -1.26 -1.09 119.74 122.96 2wx6 s LYS 18 Ca 0.48 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.49 2wx6 s LYS 18 Cb -0.36 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2wx6 s LYS 18 CO 0.47 0.54 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.68 2wx6 s GLN 19 N -1.42 3.10 0.11 1.68 -1.52 -1.26 -4.93 119.66 115.42 2wx6 s GLN 19 Ca 0.14 -0.63 -0.33 0.00 -1.95 0.00 0.00 55.36 52.60 2wx6 s GLN 19 Cb -0.10 -2.62 -0.12 0.00 -0.22 0.00 0.00 33.01 29.95 2wx6 s GLN 19 CO 0.05 0.41 1.77 -2.30 -0.25 0.00 0.00 175.29 174.97 2wx6 n PRO 20 N 2.96 2.52 0.02 2.91 -0.02 -1.26 -4.80 135.00 137.33 2wx6 n PRO 20 Ca -0.18 0.91 -0.11 0.00 -2.02 0.00 0.00 63.50 62.11 2wx6 n PRO 20 Cb 0.53 -2.76 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 2wx6 n PRO 20 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wx6 h PHE 21 N 7.80 -0.14 -3.97 6.00 3.57 -1.94 -3.40 116.94 124.86 2wx6 h PHE 21 Ca -0.46 -0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.58 2wx6 h PHE 21 Cb 1.24 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2wx6 h PHE 21 CO 0.75 0.36 0.35 0.71 -2.23 0.00 0.00 178.31 178.25 2wx6 s TYR 22 N -3.17 3.45 0.00 0.41 2.02 -1.26 -4.46 117.35 114.34 2wx6 s TYR 22 Ca -0.13 1.69 0.00 0.00 -0.37 0.00 0.00 57.07 58.26 2wx6 s TYR 22 Cb -0.00 -2.93 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 2wx6 s TYR 22 CO 0.49 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 2wx6 n GLY 23 N 0.02 0.87 0.33 0.71 0.00 -0.42 -4.92 105.19 101.77 2wx6 n GLY 23 Ca 0.05 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.16 2wx6 n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wx6 h GLU 24 N 0.00 0.41 -6.02 1.61 4.81 -1.88 -2.96 114.58 110.55 2wx6 h GLU 24 Ca 0.00 -0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 58.67 2wx6 h GLU 24 Cb 0.00 -0.09 -0.19 0.00 0.63 0.00 0.00 28.75 29.10 2wx6 h GLU 24 CO 0.00 0.27 -0.80 -1.01 -0.73 0.00 0.00 179.01 176.74 2wx6 s HIS 25 N -5.39 1.81 0.47 0.92 3.76 -1.26 -1.10 115.29 114.50 2wx6 s HIS 25 Ca -0.08 -0.45 -0.22 0.00 -0.15 0.00 0.00 55.06 54.16 2wx6 s HIS 25 Cb 0.19 -0.94 -0.07 0.00 1.11 0.00 0.00 32.58 32.87 2wx6 s HIS 25 CO 0.74 0.29 1.13 -0.65 -0.85 0.00 0.00 174.74 175.39 2wx6 s GLN 26 N -2.48 3.76 0.82 1.40 -0.21 -1.26 -4.50 119.66 117.18 2wx6 s GLN 26 Ca 0.12 1.67 -0.11 0.00 0.02 0.00 0.00 55.36 57.06 2wx6 s GLN 26 Cb -0.07 -2.33 0.08 0.00 1.00 0.00 0.00 33.01 31.69 2wx6 s GLN 26 CO 0.06 -0.53 1.10 0.00 -2.12 0.00 0.00 175.29 173.80 2wx6 s ALA 27 N -1.64 2.08 0.00 6.09 0.00 -1.26 -4.24 121.76 122.79 2wx6 s ALA 27 Ca 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2wx6 s ALA 27 Cb -0.26 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2wx6 s ALA 27 CO 0.31 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.60 2wx6 n GLY 28 N -1.88 0.62 0.70 0.00 0.00 -1.26 -4.36 105.19 99.01 2wx6 n GLY 28 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 2wx6 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wx6 n ILE 29 N -2.75 1.31 0.18 -0.61 5.41 -1.26 -4.71 119.36 116.93 2wx6 n ILE 29 Ca 0.00 0.30 0.11 0.00 1.00 0.00 0.00 62.75 64.17 2wx6 n ILE 29 Cb 0.00 -1.86 0.11 0.00 -0.71 0.00 0.00 39.64 37.18 2wx6 n ILE 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wx6 h LEU 30 N -0.36 0.00 -9.45 1.39 4.07 -1.91 -3.47 115.31 105.57 2wx6 h LEU 30 Ca -0.01 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.35 2wx6 h LEU 30 Cb 0.38 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.18 2wx6 h LEU 30 CO -0.00 0.02 0.77 0.41 -1.08 0.00 0.00 178.44 178.55 2wx6 n THR 31 N -2.96 0.04 -1.46 0.22 -1.04 -1.26 -4.95 114.28 102.87 2wx6 n THR 31 Ca 0.02 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.65 2wx6 n THR 31 Cb 0.54 -1.45 0.04 0.00 -1.82 0.00 0.00 70.33 67.65 2wx6 n THR 31 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wx6 n PRO 32 N 3.49 0.53 -2.55 -2.82 -0.02 -1.26 -4.82 135.00 127.55 2wx6 n PRO 32 Ca 0.18 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 2wx6 n PRO 32 Cb 0.27 -1.77 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2wx6 n PRO 32 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wx6 s GLN 33 N -2.24 4.28 0.78 -0.52 -0.21 -1.26 -5.01 119.66 115.48 2wx6 s GLN 33 Ca 0.69 1.51 -0.11 0.00 0.02 0.00 0.00 55.36 57.48 2wx6 s GLN 33 Cb -0.43 -3.66 0.06 0.00 1.00 0.00 0.00 33.01 29.98 2wx6 s GLN 33 CO 0.54 -0.59 1.08 -0.65 -2.12 0.00 0.00 175.29 173.55 2wx6 s GLN 34 N 3.02 2.23 0.35 2.91 1.11 -1.26 -4.80 119.66 123.22 2wx6 s GLN 34 Ca 0.50 0.83 0.16 0.00 0.01 0.00 0.00 55.36 56.87 2wx6 s GLN 34 Cb -0.19 -1.92 0.64 0.00 -1.01 0.00 0.00 33.01 30.53 2wx6 s GLN 34 CO 0.13 -1.57 1.73 0.00 0.01 0.00 0.00 175.29 175.59 2wx6 h ALA 35 N -1.06 1.06 -4.11 6.09 0.00 -1.71 -3.43 119.26 116.10 2wx6 h ALA 35 Ca -0.46 -0.39 -0.69 0.00 0.00 0.00 0.00 54.91 53.37 2wx6 h ALA 35 Cb 1.25 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 2wx6 h ALA 35 CO 0.57 0.53 -0.87 0.00 0.00 0.00 0.00 179.25 179.48 2wx6 s ALA 36 N -3.71 2.33 0.04 0.00 0.00 -0.42 -1.71 121.76 118.29 2wx6 s ALA 36 Ca -0.01 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 2wx6 s ALA 36 Cb 0.12 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 2wx6 s ALA 36 CO 0.71 0.54 0.17 1.41 0.00 0.00 0.00 175.76 178.58 2wx6 s MET 37 N -1.62 0.68 -0.03 0.00 1.75 -0.71 -1.57 119.30 117.79 2wx6 s MET 37 Ca 0.13 -0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 53.87 2wx6 s MET 37 Cb -0.10 0.28 0.02 0.00 2.84 0.00 0.00 34.83 37.87 2wx6 s MET 37 CO 0.04 -0.19 0.06 1.41 -0.65 0.00 0.00 175.02 175.69 2wx6 s MET 38 N -2.68 0.02 -0.21 4.11 -2.45 0.71 -0.90 119.30 117.90 2wx6 s MET 38 Ca -0.04 0.19 -0.06 0.00 -1.25 0.00 0.00 55.69 54.53 2wx6 s MET 38 Cb -0.01 -0.15 -0.03 0.00 1.25 0.00 0.00 34.83 35.90 2wx6 s MET 38 CO -0.05 -0.12 0.02 -0.51 1.05 0.00 0.00 175.02 175.41 2wx6 s LEU 39 N 0.76 3.32 -0.11 4.11 1.43 -0.56 -0.58 118.68 127.06 2wx6 s LEU 39 Ca -0.06 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2wx6 s LEU 39 Cb -0.09 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2wx6 s LEU 39 CO -0.03 0.05 -0.01 0.54 0.23 0.00 0.00 176.35 177.13 2wx6 s VAL 40 N 1.09 0.56 0.04 -1.59 0.11 -0.28 -1.61 120.40 118.71 2wx6 s VAL 40 Ca 0.03 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 2wx6 s VAL 40 Cb -0.14 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2wx6 s VAL 40 CO 0.02 0.18 0.27 0.00 -3.33 0.00 0.00 175.10 172.24 2wx6 s ALA 41 N 1.89 3.88 0.03 1.54 0.00 -0.11 -1.29 121.76 127.69 2wx6 s ALA 41 Ca 0.04 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2wx6 s ALA 41 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2wx6 s ALA 41 CO -0.06 0.69 -0.12 -0.06 0.00 0.00 0.00 175.76 176.21 2wx6 s PHE 42 N -1.40 1.08 -0.02 0.00 0.08 0.25 -0.56 117.98 117.41 2wx6 s PHE 42 Ca 0.31 -0.33 -0.22 0.00 0.12 0.00 0.00 56.93 56.82 2wx6 s PHE 42 Cb -0.13 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.62 2wx6 s PHE 42 CO 0.20 0.01 0.63 -0.51 -0.10 0.00 0.00 175.22 175.45 2wx6 s ASP 43 N -0.99 6.99 -0.14 1.36 1.01 0.55 -1.76 116.67 123.69 2wx6 s ASP 43 Ca 0.01 1.18 -0.25 0.00 0.71 0.00 0.00 52.55 54.20 2wx6 s ASP 43 Cb -0.07 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 2wx6 s ASP 43 CO 0.01 0.03 0.82 -0.69 0.21 0.00 0.00 175.17 175.56 2wx6 s VAL 44 N 0.11 4.90 -2.41 -1.27 1.01 -1.26 -1.07 120.40 120.41 2wx6 s VAL 44 Ca 0.33 1.64 0.24 0.00 0.00 0.00 0.00 61.98 64.19 2wx6 s VAL 44 Cb -0.18 -4.14 0.19 0.00 0.00 0.00 0.00 36.38 32.25 2wx6 s VAL 44 CO 0.18 0.06 1.32 0.18 0.00 0.00 0.00 175.10 176.84 2wx6 n LEU 45 N 4.95 2.15 -4.67 3.92 4.77 0.36 -4.96 117.00 123.52 2wx6 n LEU 45 Ca 0.04 -0.73 -0.57 0.00 -0.03 0.00 0.00 56.01 54.71 2wx6 n LEU 45 Cb 0.49 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2wx6 n LEU 45 CO 0.48 0.38 1.15 0.00 -1.33 0.00 0.00 177.39 178.07 2wx6 n ALA 46 N 0.41 -0.74 0.08 -1.18 0.00 -1.24 -4.83 120.51 113.01 2wx6 n ALA 46 Ca 0.13 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.99 2wx6 n ALA 46 Cb 0.48 -2.12 0.23 0.00 0.00 0.00 0.00 19.45 18.04 2wx6 n ALA 46 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2wx6 h SER 47 N 6.01 0.30 -2.07 0.00 0.02 -1.92 -3.47 113.55 112.42 2wx6 h SER 47 Ca -0.47 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.32 2wx6 h SER 47 Cb 1.34 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2wx6 h SER 47 CO 0.90 0.64 0.07 -0.90 -1.14 0.00 0.00 176.83 176.39 2wx6 n ASP 48 N -4.07 -0.89 -0.20 3.07 5.68 -1.26 -4.98 116.55 113.90 2wx6 n ASP 48 Ca -0.01 -1.73 0.02 0.00 -0.50 0.00 0.00 54.79 52.57 2wx6 n ASP 48 Cb 0.45 1.51 0.28 0.00 -1.14 0.00 0.00 41.12 42.22 2wx6 n ASP 48 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2wx6 h LYS 49 N 0.00 0.91 -0.61 0.11 3.64 -1.85 -1.81 116.57 116.97 2wx6 h LYS 49 Ca -0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2wx6 h LYS 49 Cb 0.53 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2wx6 h LYS 49 CO 0.18 0.60 0.39 0.00 -2.27 0.00 0.00 179.45 178.35 2wx6 h ALA 50 N 1.56 0.77 -0.74 5.00 0.00 -1.96 -0.19 119.26 123.69 2wx6 h ALA 50 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2wx6 h ALA 50 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2wx6 h ALA 50 CO -0.08 0.21 0.32 -0.44 0.00 0.00 0.00 179.25 179.27 2wx6 h ASP 51 N 0.82 1.00 -0.64 0.00 5.19 -1.83 -1.62 116.42 119.33 2wx6 h ASP 51 Ca 0.22 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2wx6 h ASP 51 Cb -0.08 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.14 2wx6 h ASP 51 CO -0.05 0.88 0.35 0.25 -3.12 0.00 0.00 179.24 177.55 2wx6 h LEU 52 N 1.05 0.80 -0.70 1.55 5.85 -0.85 -0.12 115.31 122.90 2wx6 h LEU 52 Ca 0.25 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2wx6 h LEU 52 Cb 0.17 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2wx6 h LEU 52 CO -0.03 0.67 0.25 -0.08 -0.34 0.00 0.00 178.44 178.91 2wx6 h GLU 53 N 0.87 1.06 -0.65 1.25 4.81 -0.86 -1.60 114.58 119.46 2wx6 h GLU 53 Ca 0.23 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2wx6 h GLU 53 Cb 0.04 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 2wx6 h GLU 53 CO -0.04 0.89 0.36 -0.09 -0.73 0.00 0.00 179.01 179.41 2wx6 h ARG 54 N 1.00 0.66 -0.00 1.92 2.43 -0.96 -1.34 114.38 118.09 2wx6 h ARG 54 Ca 0.23 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2wx6 h ARG 54 Cb 0.25 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2wx6 h ARG 54 CO -0.01 0.43 0.00 1.25 -1.51 0.00 0.00 179.97 180.13 2wx6 h LEU 55 N 0.68 0.00 -1.51 3.80 5.85 -0.65 -2.02 115.31 121.46 2wx6 h LEU 55 Ca 0.28 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2wx6 h LEU 55 Cb 0.16 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2wx6 h LEU 55 CO -0.17 0.10 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.68 2wx6 h PHE 56 N -0.09 0.21 -0.07 1.25 -1.00 -1.06 -1.09 116.94 115.09 2wx6 h PHE 56 Ca 0.00 -0.02 -0.20 0.00 2.81 0.00 0.00 57.97 60.56 2wx6 h PHE 56 Cb 0.09 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 2wx6 h PHE 56 CO -0.05 0.30 -0.79 0.00 -1.61 0.00 0.00 178.31 176.16 2wx6 h ARG 57 N 0.20 0.46 -0.19 1.51 3.08 -1.17 -2.81 114.38 115.45 2wx6 h ARG 57 Ca 0.04 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 2wx6 h ARG 57 Cb 0.29 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2wx6 h ARG 57 CO 0.02 1.04 -0.06 1.25 -1.07 0.00 0.00 179.97 181.15 2wx6 h LEU 58 N 0.30 0.37 -0.54 3.04 5.85 -0.65 -2.87 115.31 120.81 2wx6 h LEU 58 Ca -0.05 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.35 2wx6 h LEU 58 Cb 1.39 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 2wx6 h LEU 58 CO 0.14 0.67 0.25 -0.07 -0.34 0.00 0.00 178.44 179.09 2wx6 h LEU 59 N 0.07 0.34 -0.19 2.25 3.38 -1.28 0.51 115.31 120.40 2wx6 h LEU 59 Ca 0.05 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2wx6 h LEU 59 Cb 0.51 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2wx6 h LEU 59 CO 0.02 0.23 -0.48 0.74 0.09 0.00 0.00 178.44 179.04 2wx6 h THR 60 N 0.48 0.07 -0.42 0.22 2.02 -1.52 0.28 112.91 114.05 2wx6 h THR 60 Ca 0.25 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.51 2wx6 h THR 60 Cb 0.20 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.60 2wx6 h THR 60 CO -0.20 0.00 -0.08 -0.61 0.37 0.00 0.00 175.52 175.01 2wx6 h GLN 61 N -0.50 0.02 -0.21 6.66 4.15 -1.23 0.26 115.11 124.27 2wx6 h GLN 61 Ca 0.07 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 2wx6 h GLN 61 Cb 0.65 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 2wx6 h GLN 61 CO -0.45 0.02 0.01 0.00 -1.93 0.00 0.00 178.83 176.48 2wx6 h ARG 62 N 0.02 0.36 -0.18 1.69 2.47 -0.51 -2.58 114.38 115.66 2wx6 h ARG 62 Ca 0.20 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.70 2wx6 h ARG 62 Cb 0.31 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2wx6 h ARG 62 CO -0.41 0.54 -0.36 0.74 0.56 0.00 0.00 179.97 181.04 2wx6 h PHE 63 N 0.14 0.46 -0.61 3.04 0.04 -0.21 -0.37 116.94 119.42 2wx6 h PHE 63 Ca 0.06 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.72 2wx6 h PHE 63 Cb 0.37 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 2wx6 h PHE 63 CO 0.03 0.71 0.40 0.00 -0.60 0.00 0.00 178.31 178.85 2wx6 h ALA 64 N 1.28 0.78 0.20 2.45 0.00 -0.44 -2.17 119.26 121.36 2wx6 h ALA 64 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wx6 h ALA 64 Cb 0.80 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wx6 h ALA 64 CO 0.06 0.19 -0.09 0.35 0.00 0.00 0.00 179.25 179.76 2wx6 h PHE 65 N 0.81 -0.24 -0.39 0.00 3.57 -1.13 -3.25 116.94 116.31 2wx6 h PHE 65 Ca 0.23 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 2wx6 h PHE 65 Cb -0.07 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2wx6 h PHE 65 CO -0.04 0.16 0.16 -0.07 -2.23 0.00 0.00 178.31 176.30 2wx6 h LEU 66 N -0.79 0.20 -1.59 0.59 3.38 -1.09 0.12 115.31 116.14 2wx6 h LEU 66 Ca -0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2wx6 h LEU 66 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2wx6 h LEU 66 CO 0.04 0.15 -0.22 0.71 0.09 0.00 0.00 178.44 179.22 2wx6 h THR 67 N 0.34 0.90 0.00 0.22 1.35 -1.52 -2.97 112.91 111.22 2wx6 h THR 67 Ca 0.17 -0.83 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 2wx6 h THR 67 Cb 0.13 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2wx6 h THR 67 CO -0.16 0.21 -1.92 0.00 -0.25 0.00 0.00 175.52 173.40 2wx6 n GLN 68 N -3.90 0.66 0.00 4.72 1.13 -1.08 -4.47 117.38 114.43 2wx6 n GLN 68 Ca -0.02 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 2wx6 n GLN 68 Cb 0.31 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.09 2wx6 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wx6 n GLY 69 N 1.34 -1.21 0.00 1.08 0.00 0.01 -4.54 105.19 101.88 2wx6 n GLY 69 Ca -0.09 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2wx6 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 70 N -1.44 0.61 3.77 -0.02 0.00 -0.56 -4.94 105.19 102.61 2wx6 n GLY 70 Ca 0.00 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 2wx6 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wx6 s ALA 71 N -2.00 2.90 0.44 4.61 0.00 -1.26 -0.33 121.76 126.13 2wx6 s ALA 71 Ca 0.00 0.93 -0.25 0.00 0.00 0.00 0.00 51.96 52.64 2wx6 s ALA 71 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 2wx6 s ALA 71 CO 0.00 -0.72 1.39 0.00 0.00 0.00 0.00 175.76 176.42 2wx6 s ALA 72 N -1.58 3.23 -0.14 0.00 0.00 0.05 -4.76 121.76 118.56 2wx6 s ALA 72 Ca 0.66 1.39 -0.38 0.00 0.00 0.00 0.00 51.96 53.63 2wx6 s ALA 72 Cb -0.28 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.12 2wx6 s ALA 72 CO 0.34 -1.09 1.64 -2.30 0.00 0.00 0.00 175.76 174.35 2wx6 n PRO 73 N -0.14 1.31 -2.98 0.00 -0.02 -1.26 -4.96 135.00 126.94 2wx6 n PRO 73 Ca 0.05 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 2wx6 n PRO 73 Cb 0.42 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 2wx6 n PRO 73 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wx6 s GLU 74 N 2.67 3.80 -0.70 -0.52 2.12 -1.26 -3.86 118.70 120.96 2wx6 s GLU 74 Ca 0.93 0.44 0.05 0.00 0.36 0.00 0.00 54.97 56.75 2wx6 s GLU 74 Cb -0.98 -2.44 0.22 0.00 0.26 0.00 0.00 34.13 31.19 2wx6 s GLU 74 CO 0.58 0.04 0.69 2.41 -0.54 0.00 0.00 175.26 178.44 2wx6 n THR 75 N -1.04 2.28 0.20 -1.70 -1.04 -1.26 -4.68 114.28 107.03 2wx6 n THR 75 Ca 0.02 -5.12 0.04 0.00 -2.04 0.00 0.00 64.05 56.94 2wx6 n THR 75 Cb 0.54 -2.15 0.41 0.00 -1.82 0.00 0.00 70.33 67.31 2wx6 n THR 75 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wx6 h PRO 76 N 4.77 0.00 -4.30 -2.82 0.13 -1.99 -3.36 132.00 124.43 2wx6 h PRO 76 Ca 0.18 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.58 2wx6 h PRO 76 Cb 0.70 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.54 2wx6 h PRO 76 CO 0.82 0.32 -0.39 1.21 -0.23 0.00 0.00 178.00 179.73 2wx6 s ASN 77 N -6.88 5.75 0.00 1.44 3.84 -1.26 -4.97 114.94 112.85 2wx6 s ASN 77 Ca -0.03 -1.83 0.09 0.00 0.21 0.00 0.00 52.86 51.30 2wx6 s ASN 77 Cb 0.14 -2.03 0.41 0.00 -0.55 0.00 0.00 41.25 39.23 2wx6 s ASN 77 CO 0.71 -0.69 1.23 -0.81 -2.79 0.00 0.00 177.10 174.75 2wx6 n PRO 78 N 4.95 0.06 0.13 0.43 -0.04 -1.26 -1.76 135.00 137.50 2wx6 n PRO 78 Ca -0.09 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2wx6 n PRO 78 Cb 0.41 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.86 2wx6 n PRO 78 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wx6 n ARG 79 N -1.40 0.18 -3.91 0.54 1.74 -1.26 -4.74 116.66 107.81 2wx6 n ARG 79 Ca 0.03 0.43 -0.28 0.00 -0.77 0.00 0.00 57.85 57.27 2wx6 n ARG 79 Cb 0.09 -1.87 -0.03 0.00 -1.02 0.00 0.00 32.46 29.63 2wx6 n ARG 79 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wx6 s LEU 80 N -4.43 4.33 0.71 0.55 1.43 -0.72 -5.09 118.68 115.46 2wx6 s LEU 80 Ca 0.04 0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 2wx6 s LEU 80 Cb 0.09 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.37 2wx6 s LEU 80 CO 0.37 0.08 1.19 -2.65 0.23 0.00 0.00 176.35 175.57 2wx6 n PRO 81 N -0.28 0.71 -1.95 1.29 -0.02 -1.26 -4.88 135.00 128.60 2wx6 n PRO 81 Ca -0.06 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 2wx6 n PRO 81 Cb 0.53 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2wx6 n PRO 81 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2wx6 s PRO 82 N -3.56 4.23 0.48 0.52 0.02 -1.26 -4.89 135.00 130.55 2wx6 s PRO 82 Ca 0.78 2.40 0.26 0.00 0.02 0.00 0.00 61.00 64.46 2wx6 s PRO 82 Cb -0.35 -3.02 1.20 0.00 0.02 0.00 0.00 34.50 32.35 2wx6 s PRO 82 CO 0.45 -0.38 1.95 -0.07 -0.33 0.00 0.00 177.00 178.63 2wx6 h LEU 83 N 3.32 0.00 -8.43 -5.54 4.07 -1.83 -3.42 115.31 103.48 2wx6 h LEU 83 Ca -0.50 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 56.97 2wx6 h LEU 83 Cb 1.23 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.73 2wx6 h LEU 83 CO 0.66 0.17 -0.81 -0.62 -1.08 0.00 0.00 178.44 176.76 2wx6 s ASP 84 N -6.14 1.98 0.57 -0.43 2.15 -1.25 -4.83 116.67 108.73 2wx6 s ASP 84 Ca -0.01 -0.51 0.29 0.00 0.43 0.00 0.00 52.55 52.74 2wx6 s ASP 84 Cb 0.12 -0.13 1.73 0.00 -0.30 0.00 0.00 42.92 44.33 2wx6 s ASP 84 CO 0.61 0.06 2.22 0.77 -0.17 0.00 0.00 175.17 178.66 2wx6 h SER 85 N 4.78 0.00 0.00 -0.34 4.64 -1.94 -3.46 113.55 117.22 2wx6 h SER 85 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2wx6 h SER 85 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wx6 h SER 85 CO 0.43 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2wx6 n GLY 86 N -1.21 0.50 0.26 -0.77 0.00 -1.26 -4.92 105.19 97.79 2wx6 n GLY 86 Ca -0.03 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.06 2wx6 n GLY 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2wx6 h ILE 87 N 0.00 0.13 -0.25 -0.61 3.07 -1.99 -2.41 117.51 115.46 2wx6 h ILE 87 Ca 0.00 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.69 2wx6 h ILE 87 Cb 0.00 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 2wx6 h ILE 87 CO 0.00 0.05 0.00 0.18 -1.05 0.00 0.00 178.15 177.33 2wx6 n LEU 88 N -3.16 2.88 0.00 0.16 4.77 -1.26 -5.09 117.00 115.30 2wx6 n LEU 88 Ca 0.01 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2wx6 n LEU 88 Cb 0.36 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2wx6 n LEU 88 CO 0.29 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2wx6 n GLY 89 N 1.38 -0.34 0.13 -0.72 0.00 -0.91 -4.45 105.19 100.28 2wx6 n GLY 89 Ca 0.18 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 45.14 2wx6 n GLY 89 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wx6 h GLY 90 N 0.00 0.00 -5.04 -0.02 0.00 -1.99 -3.45 103.07 92.58 2wx6 h GLY 90 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 2wx6 h GLY 90 CO 0.00 0.00 -0.73 -0.47 0.00 0.00 0.00 176.54 175.34 2wx6 s TYR 91 N -3.00 2.83 -0.69 5.60 5.04 -1.26 -0.77 117.35 125.10 2wx6 s TYR 91 Ca 0.03 -0.07 -0.11 0.00 -2.44 0.00 0.00 57.07 54.48 2wx6 s TYR 91 Cb 0.08 -1.68 0.18 0.00 0.35 0.00 0.00 41.96 40.89 2wx6 s TYR 91 CO 0.75 0.25 0.59 0.42 -1.34 0.00 0.00 175.55 176.22 2wx6 s ILE 92 N -0.74 4.86 0.40 3.14 -1.09 0.56 -4.85 121.20 123.48 2wx6 s ILE 92 Ca 0.11 -2.41 -0.25 0.00 -2.23 0.00 0.00 60.65 55.87 2wx6 s ILE 92 Cb -0.11 -4.08 -0.09 0.00 -1.58 0.00 0.00 42.46 36.61 2wx6 s ILE 92 CO 0.01 -0.94 1.16 0.00 -1.23 0.00 0.00 174.94 173.95 2wx6 s ALA 93 N 0.42 3.16 0.27 9.38 0.00 -1.26 -1.50 121.76 132.22 2wx6 s ALA 93 Ca 0.14 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 2wx6 s ALA 93 Cb -0.17 -3.37 0.36 0.00 0.00 0.00 0.00 23.12 19.93 2wx6 s ALA 93 CO -0.05 -0.50 1.85 -1.00 0.00 0.00 0.00 175.76 176.06 2wx6 h PRO 94 N 2.67 0.98 -6.60 0.00 0.13 -1.77 -3.46 132.00 123.94 2wx6 h PRO 94 Ca -0.49 -0.16 -0.53 0.00 -0.87 0.00 0.00 66.00 63.96 2wx6 h PRO 94 Cb 1.23 -0.17 -0.14 0.00 0.13 0.00 0.00 31.00 32.05 2wx6 h PRO 94 CO 0.63 0.79 -0.83 -3.47 -0.23 0.00 0.00 178.00 174.88 2wx6 n ASP 95 N -4.31 -2.88 -1.64 1.44 2.03 0.11 -0.44 116.55 110.85 2wx6 n ASP 95 Ca 0.06 -0.97 -0.14 0.00 0.52 0.00 0.00 54.79 54.26 2wx6 n ASP 95 Cb 0.17 -3.04 -0.05 0.00 -0.72 0.00 0.00 41.12 37.48 2wx6 n ASP 95 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2wx6 n ASN 96 N -2.77 -3.92 -4.73 1.67 3.02 -0.25 -1.54 115.26 106.76 2wx6 n ASN 96 Ca -0.02 0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 2wx6 n ASN 96 Cb 0.54 -3.54 -0.03 0.00 -0.61 0.00 0.00 39.78 36.14 2wx6 n ASN 96 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wx6 s LEU 97 N -4.30 4.37 -0.01 3.41 2.96 0.41 -4.58 118.68 120.94 2wx6 s LEU 97 Ca 0.00 2.65 0.05 0.00 -0.22 0.00 0.00 54.13 56.61 2wx6 s LEU 97 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 2wx6 s LEU 97 CO 0.00 -0.80 -0.18 0.42 -1.32 0.00 0.00 176.35 174.47 2wx6 s THR 98 N 0.83 1.40 -0.23 3.68 -4.23 0.52 -4.55 115.64 113.06 2wx6 s THR 98 Ca 0.67 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2wx6 s THR 98 Cb -0.44 -1.17 0.06 0.00 1.34 0.00 0.00 72.50 72.30 2wx6 s THR 98 CO 0.35 0.39 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.14 2wx6 s ILE 99 N -0.43 1.42 -0.26 2.99 1.01 -1.26 -1.55 121.20 123.12 2wx6 s ILE 99 Ca 0.07 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 2wx6 s ILE 99 Cb -0.07 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2wx6 s ILE 99 CO -0.01 -0.09 0.15 -0.89 0.00 0.00 0.00 174.94 174.10 2wx6 s THR 100 N 1.45 5.07 -0.15 2.92 2.01 -0.32 -4.81 115.64 121.80 2wx6 s THR 100 Ca -0.05 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 2wx6 s THR 100 Cb -0.18 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2wx6 s THR 100 CO -0.06 0.30 0.08 -0.22 -0.69 0.00 0.00 174.62 174.03 2wx6 s LEU 101 N 1.50 3.99 0.05 4.42 2.96 -1.26 -0.88 118.68 129.47 2wx6 s LEU 101 Ca 0.07 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2wx6 s LEU 101 Cb -0.15 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2wx6 s LEU 101 CO 0.07 0.27 -0.00 -0.94 -1.32 0.00 0.00 176.35 174.43 2wx6 s SER 102 N -0.17 0.40 -0.00 3.68 1.04 0.16 -2.93 113.70 115.87 2wx6 s SER 102 Ca 0.08 -0.87 0.06 0.00 0.48 0.00 0.00 55.95 55.70 2wx6 s SER 102 Cb -0.12 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 2wx6 s SER 102 CO 0.01 -0.57 -0.19 0.68 0.98 0.00 0.00 173.24 174.15 2wx6 s VAL 103 N -3.52 2.65 0.69 5.02 -7.23 -0.66 -1.16 120.40 116.19 2wx6 s VAL 103 Ca 0.03 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2wx6 s VAL 103 Cb 0.05 -2.04 0.08 0.00 0.56 0.00 0.00 36.38 35.03 2wx6 s VAL 103 CO -0.09 0.48 0.97 -0.83 -0.31 0.00 0.00 175.10 175.32 2wx6 s GLY 104 N -0.99 1.76 0.20 2.32 0.00 0.22 0.39 107.32 111.22 2wx6 s GLY 104 Ca 0.12 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 2wx6 s GLY 104 CO 0.02 -0.84 1.76 0.84 0.00 0.00 0.00 173.10 174.88 2wx6 h HIS 105 N -0.47 0.44 -0.04 1.90 2.76 -1.83 -2.86 115.15 115.04 2wx6 h HIS 105 Ca -0.41 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.79 2wx6 h HIS 105 Cb 1.29 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 2wx6 h HIS 105 CO 0.07 0.16 0.26 0.66 -1.30 0.00 0.00 177.93 177.78 2wx6 h SER 106 N 0.46 0.00 1.20 3.26 4.64 -1.91 -1.19 113.55 120.01 2wx6 h SER 106 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2wx6 h SER 106 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2wx6 h SER 106 CO -0.24 0.00 0.00 0.25 -0.87 0.00 0.00 176.83 175.97 2wx6 h LEU 107 N 0.00 0.00 -3.96 5.97 5.85 -1.78 -3.09 115.31 118.30 2wx6 h LEU 107 Ca 0.02 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.15 2wx6 h LEU 107 Cb 0.54 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.28 2wx6 h LEU 107 CO -0.00 0.00 0.68 0.49 -0.34 0.00 0.00 178.44 179.27 2wx6 n PHE 108 N -2.80 3.06 -2.05 1.25 3.72 -0.45 -4.65 117.46 115.53 2wx6 n PHE 108 Ca 0.02 -2.47 0.00 0.00 -0.05 0.00 0.00 57.45 54.95 2wx6 n PHE 108 Cb 0.35 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.72 2wx6 n PHE 108 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wx6 n ASP 109 N -1.01 0.00 0.09 4.37 5.75 -1.17 -3.88 116.55 120.69 2wx6 n ASP 109 Ca 0.60 -0.57 0.09 0.00 -0.01 0.00 0.00 54.79 54.90 2wx6 n ASP 109 Cb 1.10 0.00 0.40 0.00 -1.03 0.00 0.00 41.12 41.58 2wx6 n ASP 109 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2wx6 n GLU 110 N -0.57 0.11 -0.08 0.11 0.00 -1.26 -3.88 120.64 115.06 2wx6 n GLU 110 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 57.16 57.50 2wx6 n GLU 110 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 31.44 29.66 2wx6 n GLU 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wx6 h ARG 111 N 0.00 0.41 -0.05 3.44 3.08 -1.92 -3.32 114.38 116.02 2wx6 h ARG 111 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2wx6 h ARG 111 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2wx6 h ARG 111 CO 0.00 0.48 0.00 1.19 -1.07 0.00 0.00 179.97 180.57 2wx6 n PHE 112 N -4.73 0.10 -2.64 3.04 3.01 -1.25 -4.40 117.46 110.58 2wx6 n PHE 112 Ca -0.03 -0.68 -0.17 0.00 1.01 0.00 0.00 57.45 57.58 2wx6 n PHE 112 Cb 0.16 -0.10 -0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2wx6 n PHE 112 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wx6 n GLY 113 N -0.70 -0.50 1.08 1.37 0.00 -1.25 -4.72 105.19 100.46 2wx6 n GLY 113 Ca 0.07 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2wx6 n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wx6 n LEU 114 N -3.15 3.22 -0.27 0.99 4.77 -1.26 -4.56 117.00 116.74 2wx6 n LEU 114 Ca -0.15 -1.38 0.08 0.00 -0.03 0.00 0.00 56.01 54.54 2wx6 n LEU 114 Cb 0.62 -0.23 0.21 0.00 -2.33 0.00 0.00 43.42 41.70 2wx6 n LEU 114 CO 0.29 0.69 0.92 0.00 -1.33 0.00 0.00 177.39 177.96 2wx6 h ALA 115 N 4.46 1.04 0.00 -1.18 0.00 -1.74 0.30 119.26 122.15 2wx6 h ALA 115 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wx6 h ALA 115 Cb 0.92 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2wx6 h ALA 115 CO 0.00 -0.39 0.00 -0.35 0.00 0.00 0.00 179.25 178.51 2wx6 n PRO 116 N -5.20 0.18 0.01 0.00 -0.04 -1.26 -3.10 135.00 125.60 2wx6 n PRO 116 Ca 0.17 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 2wx6 n PRO 116 Cb 0.54 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 2wx6 n PRO 116 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wx6 n GLN 117 N -1.38 0.13 -1.61 0.54 1.13 0.08 -5.00 117.38 111.27 2wx6 n GLN 117 Ca 0.09 -0.00 -0.52 0.00 -1.94 0.00 0.00 57.00 54.62 2wx6 n GLN 117 Cb 0.22 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 2wx6 n GLN 117 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2wx6 n MET 118 N -1.70 1.27 -1.49 -1.09 1.56 -1.13 -4.75 117.12 109.80 2wx6 n MET 118 Ca 0.03 0.46 -0.37 0.00 -0.27 0.00 0.00 57.70 57.56 2wx6 n MET 118 Cb 0.38 -2.12 0.07 0.00 2.15 0.00 0.00 33.22 33.69 2wx6 n MET 118 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 2wx6 n PRO 119 N 3.05 0.67 -0.15 2.12 -0.02 -1.26 -4.85 135.00 134.56 2wx6 n PRO 119 Ca 0.19 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.97 2wx6 n PRO 119 Cb 0.19 -2.15 0.30 0.00 -0.02 0.00 0.00 33.50 31.82 2wx6 n PRO 119 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wx6 h LYS 120 N 0.09 0.84 -0.23 -0.52 6.56 -1.90 -2.87 116.57 118.55 2wx6 h LYS 120 Ca -0.48 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 2wx6 h LYS 120 Cb 1.35 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2wx6 h LYS 120 CO 0.48 0.56 0.00 1.63 -2.06 0.00 0.00 179.45 180.07 2wx6 n LYS 121 N -4.43 2.01 -2.41 3.15 4.76 -1.26 -4.98 118.16 114.99 2wx6 n LYS 121 Ca 0.06 -1.90 -0.42 0.00 -2.87 0.00 0.00 58.31 53.19 2wx6 n LYS 121 Cb 0.04 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 2wx6 n LYS 121 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2wx6 s LEU 122 N -1.34 4.37 0.16 -0.35 2.96 -1.09 -4.73 118.68 118.66 2wx6 s LEU 122 Ca 0.28 2.03 -0.13 0.00 -0.22 0.00 0.00 54.13 56.09 2wx6 s LEU 122 Cb 0.17 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.29 2wx6 s LEU 122 CO 0.24 -0.48 0.37 0.00 -1.32 0.00 0.00 176.35 175.16 2wx6 s GLN 123 N 1.08 1.17 0.35 1.98 -2.07 -1.26 -4.94 119.66 115.98 2wx6 s GLN 123 Ca 0.59 -0.96 -0.27 0.00 -1.82 0.00 0.00 55.36 52.90 2wx6 s GLN 123 Cb -0.30 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 31.97 2wx6 s GLN 123 CO 0.29 -0.45 1.19 0.21 -1.32 0.00 0.00 175.29 175.21 2wx6 s LYS 124 N -3.89 4.28 0.01 9.60 2.20 -1.26 -4.63 119.74 126.06 2wx6 s LYS 124 Ca 0.10 1.93 -0.30 0.00 -0.36 0.00 0.00 55.97 57.34 2wx6 s LYS 124 Cb 0.02 -2.91 -0.06 0.00 -1.51 0.00 0.00 37.83 33.37 2wx6 s LYS 124 CO -0.05 -0.15 1.39 1.41 -0.36 0.00 0.00 175.35 177.60 2wx6 s MET 125 N -1.95 4.29 0.24 4.03 -2.45 -1.26 -4.99 119.30 117.21 2wx6 s MET 125 Ca 0.52 1.97 0.08 0.00 -1.25 0.00 0.00 55.69 57.01 2wx6 s MET 125 Cb -0.33 -3.53 -0.04 0.00 1.25 0.00 0.00 34.83 32.17 2wx6 s MET 125 CO 0.43 -0.55 0.05 0.95 1.05 0.00 0.00 175.02 176.95 2wx6 s THR 126 N 2.22 3.77 0.55 10.11 -4.23 -1.26 -5.04 115.64 121.77 2wx6 s THR 126 Ca 0.64 -1.68 -0.20 0.00 -1.18 0.00 0.00 61.69 59.27 2wx6 s THR 126 Cb -0.32 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 2wx6 s THR 126 CO 0.27 -0.31 1.22 0.00 -0.54 0.00 0.00 174.62 175.25 2wx6 s ARG 127 N -3.57 3.22 0.35 3.99 1.70 -1.26 -5.06 118.95 118.32 2wx6 s ARG 127 Ca 0.31 1.86 0.04 0.00 -0.47 0.00 0.00 55.73 57.47 2wx6 s ARG 127 Cb -0.07 -2.10 -0.01 0.00 -0.57 0.00 0.00 34.95 32.19 2wx6 s ARG 127 CO 0.21 -1.02 0.51 -0.06 -1.08 0.00 0.00 175.30 173.86 2wx6 s PHE 128 N -1.55 3.22 0.31 5.89 0.40 -1.26 -5.02 117.98 119.97 2wx6 s PHE 128 Ca 0.73 -0.03 0.07 0.00 -0.60 0.00 0.00 56.93 57.11 2wx6 s PHE 128 Cb -0.31 -2.01 0.82 0.00 0.51 0.00 0.00 43.02 42.03 2wx6 s PHE 128 CO 0.35 -0.03 1.73 -1.35 0.70 0.00 0.00 175.22 176.63 2wx6 h PRO 129 N 0.79 0.56 -0.32 0.24 0.11 -1.99 -1.87 132.00 129.52 2wx6 h PRO 129 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wx6 h PRO 129 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wx6 h PRO 129 CO 0.56 0.37 0.00 -1.71 -0.21 0.00 0.00 178.00 177.01 2wx6 n ASN 130 N -4.89 2.36 -4.78 -2.05 5.15 -1.26 -4.96 115.26 104.82 2wx6 n ASN 130 Ca 0.25 -1.88 -0.36 0.00 -0.60 0.00 0.00 54.58 52.00 2wx6 n ASN 130 Cb 0.69 -0.21 -0.03 0.00 -0.53 0.00 0.00 39.78 39.69 2wx6 n ASN 130 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2wx6 s ASP 131 N -1.35 6.54 -0.48 1.20 1.11 -0.71 -4.42 116.67 118.57 2wx6 s ASP 131 Ca 0.33 2.04 0.07 0.00 0.18 0.00 0.00 52.55 55.18 2wx6 s ASP 131 Cb 0.18 -2.58 0.25 0.00 1.07 0.00 0.00 42.92 41.84 2wx6 s ASP 131 CO 0.26 -0.64 0.60 -1.20 1.18 0.00 0.00 175.17 175.37 2wx6 n SER 132 N -0.40 1.47 -4.73 0.27 7.64 -0.20 -4.92 113.62 112.76 2wx6 n SER 132 Ca 0.07 -2.96 -0.42 0.00 1.01 0.00 0.00 58.87 56.57 2wx6 n SER 132 Cb 0.50 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2wx6 n SER 132 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wx6 s LEU 133 N -1.65 4.38 -0.37 -3.43 1.43 -1.26 -4.34 118.68 113.45 2wx6 s LEU 133 Ca 0.37 2.62 -0.09 0.00 -1.03 0.00 0.00 54.13 56.00 2wx6 s LEU 133 Cb 0.16 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.81 2wx6 s LEU 133 CO -0.07 -0.73 0.18 -0.62 0.23 0.00 0.00 176.35 175.33 2wx6 s ASP 134 N 0.64 5.55 0.36 2.29 -1.08 0.16 -4.99 116.67 119.60 2wx6 s ASP 134 Ca 0.63 -1.15 0.16 0.00 -0.52 0.00 0.00 52.55 51.66 2wx6 s ASP 134 Cb -0.42 -1.95 1.09 0.00 -1.46 0.00 0.00 42.92 40.18 2wx6 s ASP 134 CO 0.39 -0.39 1.69 0.00 0.52 0.00 0.00 175.17 177.38 2wx6 h ALA 135 N 8.34 2.07 0.00 3.66 0.00 -1.95 0.55 119.26 131.94 2wx6 h ALA 135 Ca -0.24 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wx6 h ALA 135 Cb 1.09 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wx6 h ALA 135 CO 0.66 -0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.25 2wx6 h ALA 136 N 1.75 1.32 -0.56 0.00 0.00 -1.94 -2.62 119.26 117.20 2wx6 h ALA 136 Ca 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2wx6 h ALA 136 Cb 1.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2wx6 h ALA 136 CO -0.49 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.08 2wx6 n LEU 137 N -3.59 3.86 -4.45 0.00 4.77 0.19 -4.47 117.00 113.30 2wx6 n LEU 137 Ca -0.02 -2.19 -0.29 0.00 -0.03 0.00 0.00 56.01 53.47 2wx6 n LEU 137 Cb 0.14 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.67 2wx6 n LEU 137 CO 0.27 0.85 -0.52 0.00 -1.33 0.00 0.00 177.39 176.66 2wx6 n HIS 139 N 0.91 -0.52 0.00 0.00 8.25 0.06 -4.95 115.22 118.98 2wx6 n HIS 139 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2wx6 n HIS 139 Cb 0.53 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.78 2wx6 n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wx6 n GLY 140 N 0.00 4.72 0.25 -1.41 0.00 -1.26 -4.82 105.19 102.67 2wx6 n GLY 140 Ca 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 2wx6 n GLY 140 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wx6 h ASP 141 N 0.00 0.78 -4.70 1.61 3.32 -1.71 -3.31 116.42 112.40 2wx6 h ASP 141 Ca 0.00 -0.21 -0.25 0.00 0.02 0.00 0.00 57.03 56.59 2wx6 h ASP 141 Cb 0.00 -0.20 -0.22 0.00 0.22 0.00 0.00 39.33 39.13 2wx6 h ASP 141 CO 0.00 0.78 -0.73 0.68 -1.72 0.00 0.00 179.24 178.25 2wx6 s VAL 142 N -5.41 0.41 -0.04 -1.35 -7.23 -1.01 -0.61 120.40 105.16 2wx6 s VAL 142 Ca -0.13 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 2wx6 s VAL 142 Cb 0.12 -0.49 -0.00 0.00 0.56 0.00 0.00 36.38 36.57 2wx6 s VAL 142 CO 0.79 -0.35 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.84 2wx6 s LEU 143 N -1.37 1.93 -0.12 1.32 2.96 -0.31 -0.59 118.68 122.50 2wx6 s LEU 143 Ca -0.10 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2wx6 s LEU 143 Cb -0.09 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 2wx6 s LEU 143 CO 0.00 0.16 0.00 -0.76 -1.32 0.00 0.00 176.35 174.43 2wx6 s LEU 144 N 0.01 3.52 -0.35 -0.68 1.43 -0.41 -0.67 118.68 121.54 2wx6 s LEU 144 Ca -0.03 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 2wx6 s LEU 144 Cb -0.11 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2wx6 s LEU 144 CO 0.02 0.28 0.17 -1.58 0.23 0.00 0.00 176.35 175.46 2wx6 s GLN 145 N -0.27 2.87 -0.31 1.70 0.74 -0.05 -1.13 119.66 123.20 2wx6 s GLN 145 Ca 0.06 -1.04 -0.05 0.00 0.05 0.00 0.00 55.36 54.39 2wx6 s GLN 145 Cb -0.12 -3.62 0.04 0.00 1.10 0.00 0.00 33.01 30.41 2wx6 s GLN 145 CO 0.02 -0.63 0.05 0.42 -0.55 0.00 0.00 175.29 174.60 2wx6 s ILE 146 N 1.52 3.48 -0.02 -2.34 1.01 0.26 -1.18 121.20 123.93 2wx6 s ILE 146 Ca 0.02 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.59 2wx6 s ILE 146 Cb -0.19 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2wx6 s ILE 146 CO 0.05 -0.09 -0.24 0.00 0.00 0.00 0.00 174.94 174.67 2wx6 n ALA 148 N 2.57 -0.28 -0.37 0.00 0.00 -0.61 -0.36 120.51 121.47 2wx6 n ALA 148 Ca -0.16 -1.47 -0.02 0.00 0.00 0.00 0.00 53.44 51.79 2wx6 n ALA 148 Cb 0.52 1.18 0.11 0.00 0.00 0.00 0.00 19.45 21.26 2wx6 n ALA 148 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wx6 h ASN 149 N 1.78 1.15 -3.45 0.00 2.35 -1.55 -1.09 115.58 114.77 2wx6 h ASN 149 Ca -0.24 -0.05 -0.41 0.00 -0.55 0.00 0.00 56.30 55.05 2wx6 h ASN 149 Cb 1.07 -0.29 -0.14 0.00 0.05 0.00 0.00 38.32 39.01 2wx6 h ASN 149 CO 0.33 0.86 -0.72 0.42 -1.65 0.00 0.00 177.43 176.66 2wx6 s THR 150 N -6.04 1.53 0.27 2.81 -4.23 -1.26 -3.91 115.64 104.80 2wx6 s THR 150 Ca -0.13 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.22 2wx6 s THR 150 Cb 0.18 -2.02 0.11 0.00 1.34 0.00 0.00 72.50 72.11 2wx6 s THR 150 CO 0.82 -0.62 1.76 -0.61 -0.54 0.00 0.00 174.62 175.44 2wx6 h GLN 151 N 2.61 0.74 -0.17 3.99 4.15 -1.94 -3.19 115.11 121.30 2wx6 h GLN 151 Ca -0.38 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 58.89 2wx6 h GLN 151 Cb 1.21 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.75 2wx6 h GLN 151 CO 0.63 0.77 -0.29 -0.44 -1.93 0.00 0.00 178.83 177.57 2wx6 h ASP 152 N 0.69 -0.90 -0.16 -0.69 5.19 -1.99 -1.56 116.42 116.99 2wx6 h ASP 152 Ca 0.13 0.14 0.03 0.00 -0.62 0.00 0.00 57.03 56.71 2wx6 h ASP 152 Cb 0.47 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 40.35 2wx6 h ASP 152 CO 0.02 -0.33 -0.00 0.74 -3.12 0.00 0.00 179.24 176.56 2wx6 h THR 153 N -0.34 0.88 -0.08 0.35 2.02 -1.95 0.98 112.91 114.77 2wx6 h THR 153 Ca 0.11 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2wx6 h THR 153 Cb 0.51 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 2wx6 h THR 153 CO -0.36 0.01 -0.17 0.58 0.37 0.00 0.00 175.52 175.95 2wx6 h VAL 154 N 0.05 0.57 -0.62 3.16 2.07 -1.56 -0.52 116.25 119.41 2wx6 h VAL 154 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 2wx6 h VAL 154 Cb 0.09 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2wx6 h VAL 154 CO -0.13 0.00 0.14 0.40 0.02 0.00 0.00 177.57 178.00 2wx6 h ILE 155 N -0.23 1.25 -0.67 4.57 2.04 -1.06 -2.02 117.51 121.39 2wx6 h ILE 155 Ca 0.08 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2wx6 h ILE 155 Cb 0.35 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2wx6 h ILE 155 CO -0.22 0.35 0.44 -0.74 0.00 0.00 0.00 178.15 177.97 2wx6 h HIS 156 N 0.91 0.83 0.24 1.37 2.76 -0.65 -2.04 115.15 118.56 2wx6 h HIS 156 Ca 0.19 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2wx6 h HIS 156 Cb 0.37 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 2wx6 h HIS 156 CO 0.03 0.51 -0.38 0.00 -1.30 0.00 0.00 177.93 176.78 2wx6 h ALA 157 N 1.25 -0.75 -0.43 5.26 0.00 -0.83 -2.20 119.26 121.56 2wx6 h ALA 157 Ca 0.25 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2wx6 h ALA 157 Cb -0.08 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 2wx6 h ALA 157 CO -0.06 -0.97 -0.35 1.25 0.00 0.00 0.00 179.25 179.12 2wx6 h LEU 158 N -0.70 -1.16 -1.41 0.00 5.85 -1.25 -1.33 115.31 115.32 2wx6 h LEU 158 Ca -0.00 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2wx6 h LEU 158 Cb 0.67 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2wx6 h LEU 158 CO -0.15 -0.33 0.07 0.03 -0.34 0.00 0.00 178.44 177.72 2wx6 h ARG 159 N -0.25 0.47 -0.03 1.25 3.08 -1.25 0.50 114.38 118.15 2wx6 h ARG 159 Ca 0.18 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2wx6 h ARG 159 Cb 0.55 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2wx6 h ARG 159 CO -0.57 0.44 0.02 0.22 -1.07 0.00 0.00 179.97 179.01 2wx6 h ASP 160 N 0.46 0.04 -0.49 7.04 3.58 -0.87 -0.01 116.42 126.17 2wx6 h ASP 160 Ca 0.11 -0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.50 2wx6 h ASP 160 Cb 0.19 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 2wx6 h ASP 160 CO -0.00 0.11 0.28 0.40 -2.88 0.00 0.00 179.24 177.15 2wx6 h ILE 161 N -0.04 1.02 -0.57 2.25 2.04 -0.40 -2.33 117.51 119.46 2wx6 h ILE 161 Ca 0.01 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 2wx6 h ILE 161 Cb 0.09 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2wx6 h ILE 161 CO -0.00 0.10 0.02 0.40 0.00 0.00 0.00 178.15 178.67 2wx6 h ILE 162 N 0.55 1.26 -0.57 -0.67 2.04 -0.87 -2.35 117.51 116.90 2wx6 h ILE 162 Ca 0.20 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2wx6 h ILE 162 Cb 0.05 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2wx6 h ILE 162 CO -0.11 0.39 0.38 0.50 0.00 0.00 0.00 178.15 179.31 2wx6 h LYS 163 N 0.90 0.64 -0.01 2.37 1.63 -0.72 -3.00 116.57 118.38 2wx6 h LYS 163 Ca 0.17 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2wx6 h LYS 163 Cb 0.50 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2wx6 h LYS 163 CO 0.02 0.43 -0.11 0.72 -3.45 0.00 0.00 179.45 177.06 2wx6 n HIS 164 N -4.47 0.00 -2.49 1.91 8.25 -0.90 -4.44 115.22 113.09 2wx6 n HIS 164 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2wx6 n HIS 164 Cb 0.13 -0.04 0.05 0.00 1.12 0.00 0.00 29.99 31.25 2wx6 n HIS 164 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wx6 n THR 165 N -0.02 0.90 0.24 1.59 -2.24 -1.05 -4.92 114.28 108.78 2wx6 n THR 165 Ca 0.16 -2.20 0.09 0.00 -2.27 0.00 0.00 64.05 59.83 2wx6 n THR 165 Cb 0.38 0.80 0.59 0.00 -2.10 0.00 0.00 70.33 70.00 2wx6 n THR 165 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wx6 h PRO 166 N 1.68 0.00 -0.02 -0.78 0.13 -1.77 0.10 132.00 131.34 2wx6 h PRO 166 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2wx6 h PRO 166 Cb 1.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.68 2wx6 h PRO 166 CO 0.17 0.19 -0.15 -0.40 -0.23 0.00 0.00 178.00 177.59 2wx6 n ASP 167 N -3.84 1.71 0.00 1.44 5.75 -1.26 -4.58 116.55 115.76 2wx6 n ASP 167 Ca -0.02 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 2wx6 n ASP 167 Cb 0.29 0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2wx6 n ASP 167 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wx6 n LEU 168 N 0.11 1.27 -4.20 -2.12 4.77 0.07 -4.41 117.00 112.49 2wx6 n LEU 168 Ca 0.15 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.90 2wx6 n LEU 168 Cb 0.41 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.37 2wx6 n LEU 168 CO 0.21 0.21 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.23 2wx6 s LEU 169 N -4.41 2.17 -0.08 2.23 1.43 0.14 0.13 118.68 120.29 2wx6 s LEU 169 Ca 0.00 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2wx6 s LEU 169 Cb 0.00 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.44 2wx6 s LEU 169 CO 0.00 0.10 -0.08 -0.55 0.23 0.00 0.00 176.35 176.05 2wx6 s SER 170 N -1.16 1.78 0.18 2.29 0.15 -0.23 -4.68 113.70 112.03 2wx6 s SER 170 Ca 0.05 -0.26 -0.32 0.00 0.70 0.00 0.00 55.95 56.12 2wx6 s SER 170 Cb -0.08 -0.74 -0.11 0.00 -1.71 0.00 0.00 66.02 63.37 2wx6 s SER 170 CO 0.02 -0.06 1.70 0.54 1.20 0.00 0.00 173.24 176.64 2wx6 s VAL 171 N 1.20 2.27 -0.20 4.45 0.11 -1.26 -0.33 120.40 126.63 2wx6 s VAL 171 Ca -0.05 0.13 -0.17 0.00 -2.93 0.00 0.00 61.98 58.96 2wx6 s VAL 171 Cb -0.14 -3.09 -0.07 0.00 -1.53 0.00 0.00 36.38 31.55 2wx6 s VAL 171 CO -0.02 0.01 -0.34 -1.14 -3.33 0.00 0.00 175.10 170.27 2wx6 n ARG 172 N 4.29 0.54 -3.93 1.54 0.63 0.27 -4.82 116.66 115.19 2wx6 n ARG 172 Ca 0.16 0.23 -0.09 0.00 -0.92 0.00 0.00 57.85 57.23 2wx6 n ARG 172 Cb 0.37 -1.45 -0.09 0.00 0.45 0.00 0.00 32.46 31.73 2wx6 n ARG 172 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 2wx6 s TRP 173 N -2.79 0.23 -0.13 -0.14 1.48 -1.14 -4.91 118.94 111.54 2wx6 s TRP 173 Ca -0.31 -0.62 -0.20 0.00 -1.06 0.00 0.00 56.10 53.91 2wx6 s TRP 173 Cb 0.07 -0.15 0.05 0.00 -1.16 0.00 0.00 33.47 32.27 2wx6 s TRP 173 CO 0.44 -0.43 0.51 0.21 -4.06 0.00 0.00 176.95 173.62 2wx6 s LYS 174 N -3.24 0.71 -0.11 3.25 2.20 -1.26 -0.94 119.74 120.35 2wx6 s LYS 174 Ca 0.00 0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 55.96 2wx6 s LYS 174 Cb 0.02 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.71 2wx6 s LYS 174 CO -0.08 -0.14 0.29 0.50 -0.36 0.00 0.00 175.35 175.56 2wx6 s ARG 175 N -0.34 0.34 0.03 4.03 3.52 -0.63 -5.03 118.95 120.86 2wx6 s ARG 175 Ca -0.05 0.42 0.03 0.00 -0.13 0.00 0.00 55.73 56.00 2wx6 s ARG 175 Cb -0.03 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.47 2wx6 s ARG 175 CO 0.03 -0.05 -0.04 -1.21 -0.81 0.00 0.00 175.30 173.23 2wx6 s GLU 176 N 0.22 2.58 0.30 5.12 2.02 -1.26 -1.49 118.70 126.18 2wx6 s GLU 176 Ca -0.01 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.28 2wx6 s GLU 176 Cb -0.02 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 2wx6 s GLU 176 CO -0.00 0.59 0.27 0.20 0.02 0.00 0.00 175.26 176.34 2wx6 s GLY 177 N -1.69 1.93 0.21 -1.39 0.00 -0.08 -4.59 107.32 101.71 2wx6 s GLY 177 Ca 0.20 -1.86 -0.14 0.00 0.00 0.00 0.00 44.72 42.91 2wx6 s GLY 177 CO 0.11 -1.36 0.46 -0.11 0.00 0.00 0.00 173.10 172.20 2wx6 s PHE 178 N -3.60 0.16 0.30 1.90 -0.12 0.38 -1.74 117.98 115.27 2wx6 s PHE 178 Ca 0.38 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.77 2wx6 s PHE 178 Cb 0.03 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 2wx6 s PHE 178 CO 0.22 -0.91 0.09 0.96 -0.05 0.00 0.00 175.22 175.53 2wx6 s ILE 179 N -3.95 0.79 0.71 -4.49 -4.36 -0.69 -0.97 121.20 108.24 2wx6 s ILE 179 Ca 0.16 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.39 2wx6 s ILE 179 Cb -0.00 -2.67 0.03 0.00 1.25 0.00 0.00 42.46 41.07 2wx6 s ILE 179 CO 0.02 0.00 1.22 -0.94 0.24 0.00 0.00 174.94 175.49 2wx6 s SER 180 N -3.41 4.28 1.73 4.36 1.04 -1.26 -4.81 113.70 115.64 2wx6 s SER 180 Ca 0.36 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.20 2wx6 s SER 180 Cb 0.08 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2wx6 s SER 180 CO 0.15 -2.21 0.00 0.47 0.98 0.00 0.00 173.24 172.63 2wx6 n ASP 181 N -2.54 0.00 -0.08 7.02 9.92 -1.26 -0.85 116.55 128.75 2wx6 n ASP 181 Ca 0.14 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.38 2wx6 n ASP 181 Cb 0.50 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.96 2wx6 n ASP 181 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2wx6 n HIS 182 N 0.99 -0.09 0.28 1.24 8.25 -1.26 -1.04 115.22 123.60 2wx6 n HIS 182 Ca 0.00 0.24 0.17 0.00 -0.26 0.00 0.00 57.72 57.87 2wx6 n HIS 182 Cb 0.00 -0.49 0.80 0.00 1.12 0.00 0.00 29.99 31.42 2wx6 n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wx6 h ALA 183 N -0.63 1.06 0.78 -1.41 0.00 -1.86 -3.32 119.26 113.89 2wx6 h ALA 183 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wx6 h ALA 183 Cb 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wx6 h ALA 183 CO -0.18 0.06 -0.45 0.00 0.00 0.00 0.00 179.25 178.68 2wx6 h ALA 184 N 1.95 -1.18 0.00 0.00 0.00 0.73 -3.18 119.26 117.57 2wx6 h ALA 184 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2wx6 h ALA 184 Cb 0.38 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2wx6 h ALA 184 CO 0.01 -1.18 -0.27 0.00 0.00 0.00 0.00 179.25 177.81 2wx6 h ARG 185 N -1.15 0.00 0.00 0.00 3.08 -1.65 -3.06 114.38 111.60 2wx6 h ARG 185 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2wx6 h ARG 185 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2wx6 h ARG 185 CO 0.12 0.27 0.00 -1.13 -1.07 0.00 0.00 179.97 178.16 2wx6 n SER 186 N -3.36 0.54 -0.31 7.04 3.41 -1.20 -4.89 113.62 114.85 2wx6 n SER 186 Ca 0.01 0.73 -0.02 0.00 -0.26 0.00 0.00 58.87 59.32 2wx6 n SER 186 Cb 0.49 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 2wx6 n SER 186 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wx6 n LYS 187 N -2.20 0.00 -3.81 4.33 4.01 -1.16 -1.82 118.16 117.51 2wx6 n LYS 187 Ca -0.01 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 2wx6 n LYS 187 Cb 0.07 -0.09 -0.13 0.00 -0.51 0.00 0.00 35.03 34.36 2wx6 n LYS 187 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2wx6 s GLY 188 N 0.44 2.05 -0.08 0.72 0.00 -1.26 -4.98 107.32 104.20 2wx6 s GLY 188 Ca 0.09 -2.94 -0.00 0.00 0.00 0.00 0.00 44.72 41.87 2wx6 s GLY 188 CO 0.03 1.31 -0.00 0.50 0.00 0.00 0.00 173.10 174.95 2wx6 h LYS 189 N 6.54 0.00 -2.99 2.90 6.56 -1.63 -3.45 116.57 124.50 2wx6 h LYS 189 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2wx6 h LYS 189 Cb 0.90 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2wx6 h LYS 189 CO 0.58 0.00 0.00 -1.91 -2.06 0.00 0.00 179.45 176.06 2wx6 n GLU 190 N -4.32 0.00 -2.28 3.15 2.13 -1.26 -5.16 120.64 112.91 2wx6 n GLU 190 Ca -0.00 0.50 -0.42 0.00 0.66 0.00 0.00 57.16 57.90 2wx6 n GLU 190 Cb 0.00 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.19 2wx6 n GLU 190 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2wx6 s THR 191 N -1.34 3.43 0.42 6.31 2.01 -1.26 -4.76 115.64 120.46 2wx6 s THR 191 Ca 0.00 1.13 -0.26 0.00 0.31 0.00 0.00 61.69 62.87 2wx6 s THR 191 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 2wx6 s THR 191 CO 0.00 0.15 1.44 -2.84 -0.69 0.00 0.00 174.62 172.67 2wx6 s PRO 192 N 0.25 3.86 -0.05 4.92 0.02 -1.26 -4.75 135.00 137.99 2wx6 s PRO 192 Ca 0.57 2.45 -0.18 0.00 0.02 0.00 0.00 61.00 63.87 2wx6 s PRO 192 Cb -0.35 -2.78 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 2wx6 s PRO 192 CO 0.35 -0.69 0.50 0.42 -0.33 0.00 0.00 177.00 177.25 2wx6 s ILE 193 N -1.18 5.06 0.60 2.83 1.01 -1.26 -0.12 121.20 128.13 2wx6 s ILE 193 Ca 0.58 1.03 -0.07 0.00 0.00 0.00 0.00 60.65 62.18 2wx6 s ILE 193 Cb -0.44 -3.83 0.13 0.00 0.01 0.00 0.00 42.46 38.32 2wx6 s ILE 193 CO 0.58 0.41 0.81 -0.46 0.00 0.00 0.00 174.94 176.28 2wx6 n ASN 194 N 2.96 0.36 -0.36 3.58 0.23 0.10 -4.88 115.26 117.26 2wx6 n ASN 194 Ca -0.08 -1.48 0.08 0.00 -0.53 0.00 0.00 54.58 52.57 2wx6 n ASN 194 Cb 0.52 -0.59 0.33 0.00 -2.08 0.00 0.00 39.78 37.95 2wx6 n ASN 194 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2wx6 n LEU 195 N 0.00 1.06 -0.66 -4.53 4.77 -1.26 -2.00 117.00 114.39 2wx6 n LEU 195 Ca 0.11 -0.48 0.12 0.00 -0.03 0.00 0.00 56.01 55.73 2wx6 n LEU 195 Cb 0.39 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2wx6 n LEU 195 CO 0.28 0.24 0.47 0.18 -1.33 0.00 0.00 177.39 177.23 2wx6 n LEU 196 N -0.03 2.32 0.00 2.23 4.77 -1.26 -4.98 117.00 120.04 2wx6 n LEU 196 Ca 0.13 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2wx6 n LEU 196 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2wx6 n LEU 196 CO 0.10 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2wx6 n GLY 197 N 1.38 0.67 3.66 -0.72 0.00 -0.85 -5.07 105.19 104.26 2wx6 n GLY 197 Ca 0.12 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2wx6 n GLY 197 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wx6 s PHE 198 N -2.00 2.95 0.46 1.61 0.40 -1.26 -4.85 117.98 115.28 2wx6 s PHE 198 Ca 0.00 -0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.05 2wx6 s PHE 198 Cb 0.00 -1.54 -0.07 0.00 0.51 0.00 0.00 43.02 41.91 2wx6 s PHE 198 CO 0.00 0.46 1.29 0.15 0.70 0.00 0.00 175.22 177.81 2wx6 s LYS 199 N -2.09 3.66 -0.26 0.44 1.02 -1.26 -0.72 119.74 120.52 2wx6 s LYS 199 Ca 0.23 2.09 0.03 0.00 0.02 0.00 0.00 55.97 58.34 2wx6 s LYS 199 Cb -0.11 -2.51 0.06 0.00 -0.52 0.00 0.00 37.83 34.75 2wx6 s LYS 199 CO 0.15 -0.73 -0.09 0.34 -0.92 0.00 0.00 175.35 174.10 2wx6 s ASP 200 N -0.96 4.37 0.00 2.83 2.15 0.83 -4.67 116.67 121.21 2wx6 s ASP 200 Ca 0.63 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 52.21 2wx6 s ASP 200 Cb -0.36 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2wx6 s ASP 200 CO 0.45 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.85 2wx6 n GLY 201 N 4.46 0.90 0.25 2.66 0.00 -1.26 -4.33 105.19 107.87 2wx6 n GLY 201 Ca -0.13 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.42 2wx6 n GLY 201 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wx6 h THR 202 N 0.00 0.65 -0.15 2.61 2.02 -1.95 -2.27 112.91 113.81 2wx6 h THR 202 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2wx6 h THR 202 Cb 0.21 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2wx6 h THR 202 CO 0.00 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.95 2wx6 n ALA 203 N -2.56 2.73 -1.77 6.16 0.00 -1.26 -4.94 120.51 118.86 2wx6 n ALA 203 Ca 0.11 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 2wx6 n ALA 203 Cb 0.36 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 2wx6 n ALA 203 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wx6 s ASN 204 N -0.42 6.58 0.78 0.00 0.01 -0.86 -5.00 114.94 116.03 2wx6 s ASN 204 Ca 0.12 2.85 -0.13 0.00 -0.71 0.00 0.00 52.86 54.99 2wx6 s ASN 204 Cb 0.09 -2.66 0.07 0.00 0.41 0.00 0.00 41.25 39.16 2wx6 s ASN 204 CO 0.05 -0.68 1.17 -2.16 -1.51 0.00 0.00 177.10 173.96 2wx6 s PRO 205 N -1.93 1.88 -0.39 -0.60 0.04 -1.26 -4.92 135.00 127.82 2wx6 s PRO 205 Ca 0.51 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.86 2wx6 s PRO 205 Cb -0.43 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 2wx6 s PRO 205 CO 0.57 -2.00 1.66 0.34 0.04 0.00 0.00 177.00 177.62 2wx6 s ASP 206 N -2.43 5.99 0.18 6.66 2.15 -1.26 -4.88 116.67 123.09 2wx6 s ASP 206 Ca 0.70 1.02 0.20 0.00 0.43 0.00 0.00 52.55 54.90 2wx6 s ASP 206 Cb -0.25 -2.53 0.86 0.00 -0.30 0.00 0.00 42.92 40.70 2wx6 s ASP 206 CO 0.50 -1.68 1.62 -1.54 -0.17 0.00 0.00 175.17 173.90 2wx6 n SER 207 N 9.99 0.46 0.08 -0.34 3.41 -1.26 -2.53 113.62 123.43 2wx6 n SER 207 Ca 0.20 0.62 -0.09 0.00 -0.26 0.00 0.00 58.87 59.34 2wx6 n SER 207 Cb 0.48 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2wx6 n SER 207 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2wx6 h GLN 208 N 0.00 0.22 -5.76 4.33 5.75 -1.92 -3.43 115.11 114.30 2wx6 h GLN 208 Ca 0.00 -0.23 -0.34 0.00 -0.15 0.00 0.00 58.65 57.93 2wx6 h GLN 208 Cb 0.31 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 2wx6 h GLN 208 CO 0.00 0.94 0.89 1.21 -2.65 0.00 0.00 178.83 179.23 2wx6 s ASN 209 N -6.94 5.05 0.33 -0.69 3.84 -1.05 -4.87 114.94 110.62 2wx6 s ASN 209 Ca -0.03 -0.26 0.10 0.00 0.21 0.00 0.00 52.86 52.87 2wx6 s ASN 209 Cb 0.10 -2.55 0.85 0.00 -0.55 0.00 0.00 41.25 39.10 2wx6 s ASN 209 CO 0.83 -2.73 1.79 0.44 -2.79 0.00 0.00 177.10 174.63 2wx6 h ASP 210 N 12.79 0.68 0.36 -4.21 5.19 -1.88 -0.69 116.42 128.66 2wx6 h ASP 210 Ca -0.03 0.09 -0.24 0.00 -0.62 0.00 0.00 57.03 56.24 2wx6 h ASP 210 Cb 1.06 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2wx6 h ASP 210 CO 1.19 0.23 -1.00 0.50 -3.12 0.00 0.00 179.24 177.04 2wx6 h LYS 211 N 0.65 0.41 0.00 3.56 3.11 -1.97 -2.92 116.57 119.42 2wx6 h LYS 211 Ca 0.57 -0.47 -0.19 0.00 -2.81 0.00 0.00 60.65 57.75 2wx6 h LYS 211 Cb 1.03 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.38 2wx6 h LYS 211 CO -0.34 1.14 -0.87 1.25 -2.81 0.00 0.00 179.45 177.81 2wx6 h LEU 212 N 0.22 0.06 -1.20 5.20 5.85 -1.76 -2.93 115.31 120.76 2wx6 h LEU 212 Ca -0.09 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 2wx6 h LEU 212 Cb 1.65 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2wx6 h LEU 212 CO 0.17 0.90 -0.39 0.24 -0.34 0.00 0.00 178.44 179.02 2wx6 h MET 213 N 0.02 0.00 -0.35 1.25 2.86 -1.19 0.27 114.93 117.80 2wx6 h MET 213 Ca -0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 2wx6 h MET 213 Cb 1.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.18 2wx6 h MET 213 CO 0.12 0.39 -0.35 0.37 1.06 0.00 0.00 176.91 178.50 2wx6 h GLN 214 N 0.00 0.79 0.01 1.72 5.75 -1.41 0.14 115.11 122.11 2wx6 h GLN 214 Ca -0.00 -0.39 -0.00 0.00 -0.15 0.00 0.00 58.65 58.11 2wx6 h GLN 214 Cb 0.73 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.27 2wx6 h GLN 214 CO 0.05 1.02 -0.00 0.87 -2.65 0.00 0.00 178.83 178.12 2wx6 h LYS 215 N 0.66 -0.01 0.00 1.69 1.57 -1.30 -3.36 116.57 115.82 2wx6 h LYS 215 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wx6 h LYS 215 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2wx6 h LYS 215 CO 0.08 0.49 -0.07 0.28 -0.57 0.00 0.00 179.45 179.67 2wx6 h VAL 216 N -0.51 0.05 0.00 0.50 2.07 -0.48 -3.44 116.25 114.44 2wx6 h VAL 216 Ca -0.00 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 2wx6 h VAL 216 Cb 0.50 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2wx6 h VAL 216 CO 0.00 0.02 -0.75 0.58 0.02 0.00 0.00 177.57 177.44 2wx6 h VAL 217 N -1.00 0.55 -3.80 2.57 2.07 -1.03 0.57 116.25 116.18 2wx6 h VAL 217 Ca -0.00 -1.63 -0.49 0.00 0.82 0.00 0.00 66.70 65.41 2wx6 h VAL 217 Cb 0.10 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2wx6 h VAL 217 CO -0.00 0.19 0.37 0.26 0.02 0.00 0.00 177.57 178.40 2wx6 s TRP 218 N -2.23 3.84 0.10 1.57 0.23 0.02 -2.03 118.94 120.45 2wx6 s TRP 218 Ca -0.20 1.85 -0.30 0.00 -2.03 0.00 0.00 56.10 55.42 2wx6 s TRP 218 Cb 0.03 -3.01 -0.06 0.00 0.03 0.00 0.00 33.47 30.46 2wx6 s TRP 218 CO 0.40 0.24 1.19 0.08 0.96 0.00 0.00 176.95 179.82 2wx6 s VAL 219 N -1.31 3.89 0.24 4.03 1.01 -0.01 -4.59 120.40 123.66 2wx6 s VAL 219 Ca 0.44 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.90 2wx6 s VAL 219 Cb -0.25 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2wx6 s VAL 219 CO 0.31 0.15 -0.04 0.42 0.00 0.00 0.00 175.10 175.94 2wx6 s THR 220 N 0.68 1.31 -1.23 3.92 -4.23 -1.26 -1.56 115.64 113.27 2wx6 s THR 220 Ca 0.57 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 2wx6 s THR 220 Cb -0.30 -2.34 0.06 0.00 1.34 0.00 0.00 72.50 71.26 2wx6 s THR 220 CO 0.31 -0.36 1.06 0.00 -0.54 0.00 0.00 174.62 175.10 2wx6 n ALA 221 N -0.47 1.32 0.20 3.99 0.00 -1.26 -2.34 120.51 121.95 2wx6 n ALA 221 Ca -0.06 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.44 2wx6 n ALA 221 Cb 0.63 -1.07 0.33 0.00 0.00 0.00 0.00 19.45 19.34 2wx6 n ALA 221 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2wx6 h ASP 222 N 0.00 0.00 -4.41 0.00 3.04 -1.99 -3.46 116.42 109.61 2wx6 h ASP 222 Ca 0.00 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 53.30 2wx6 h ASP 222 Cb 0.06 0.00 0.08 0.00 -1.04 0.00 0.00 39.33 38.43 2wx6 h ASP 222 CO 0.00 0.29 0.39 -1.10 -2.04 0.00 0.00 179.24 176.78 2wx6 s GLN 223 N -3.46 2.74 -0.69 4.15 -0.21 -0.99 -4.96 119.66 116.24 2wx6 s GLN 223 Ca 0.02 0.36 -0.04 0.00 0.02 0.00 0.00 55.36 55.72 2wx6 s GLN 223 Cb 0.09 -2.04 0.11 0.00 1.00 0.00 0.00 33.01 32.18 2wx6 s GLN 223 CO 0.67 -1.08 2.59 1.04 -2.12 0.00 0.00 175.29 176.39 2wx6 n GLN 224 N -3.00 3.01 -4.20 2.91 1.13 -1.26 -4.96 117.38 111.02 2wx6 n GLN 224 Ca 0.07 -2.78 -0.32 0.00 -1.94 0.00 0.00 57.00 52.03 2wx6 n GLN 224 Cb 0.58 -2.27 -0.08 0.00 0.11 0.00 0.00 30.24 28.58 2wx6 n GLN 224 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2wx6 s GLU 225 N -1.93 2.81 0.23 -1.09 0.41 -1.26 -4.80 118.70 113.07 2wx6 s GLU 225 Ca 0.57 -0.63 -0.31 0.00 -0.41 0.00 0.00 54.97 54.18 2wx6 s GLU 225 Cb 0.34 -2.69 -0.14 0.00 -1.78 0.00 0.00 34.13 29.86 2wx6 s GLU 225 CO -0.21 0.61 1.20 -2.30 -0.49 0.00 0.00 175.26 174.06 2wx6 n PRO 226 N 1.10 1.50 -0.34 0.39 -0.02 -1.26 -4.83 135.00 131.54 2wx6 n PRO 226 Ca -0.13 0.53 0.23 0.00 -2.02 0.00 0.00 63.50 62.12 2wx6 n PRO 226 Cb 0.52 -2.04 0.49 0.00 -0.02 0.00 0.00 33.50 32.45 2wx6 n PRO 226 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wx6 h ALA 227 N 3.23 2.17 0.00 3.55 0.00 -1.96 -1.70 119.26 124.55 2wx6 h ALA 227 Ca -0.43 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wx6 h ALA 227 Cb 1.32 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2wx6 h ALA 227 CO 0.69 -0.63 -0.02 0.11 0.00 0.00 0.00 179.25 179.40 2wx6 h TRP 228 N 0.39 0.00 0.00 0.00 5.08 -1.89 -2.55 115.95 116.99 2wx6 h TRP 228 Ca 0.65 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.62 2wx6 h TRP 228 Cb 1.58 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.74 2wx6 h TRP 228 CO -0.00 0.02 0.00 1.79 -1.28 0.00 0.00 178.44 178.96 2wx6 h THR 229 N 0.00 0.00 -2.56 0.12 1.35 -1.66 -3.43 112.91 106.74 2wx6 h THR 229 Ca -0.00 -0.44 -0.53 0.00 -0.55 0.00 0.00 66.41 64.89 2wx6 h THR 229 Cb 0.06 1.32 0.02 0.00 -1.73 0.00 0.00 68.15 67.83 2wx6 h THR 229 CO 0.00 0.00 1.10 -0.63 -0.25 0.00 0.00 175.52 175.74 2wx6 s ILE 230 N -3.35 2.93 0.00 6.82 1.01 -0.96 0.03 121.20 127.67 2wx6 s ILE 230 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2wx6 s ILE 230 Cb 0.09 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.39 2wx6 s ILE 230 CO 0.50 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2wx6 n GLY 231 N 4.21 0.66 1.06 6.18 0.00 -0.60 -4.69 105.19 112.00 2wx6 n GLY 231 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2wx6 n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 232 N -2.00 0.63 3.54 -0.02 0.00 0.10 -4.29 105.19 103.16 2wx6 n GLY 232 Ca 0.00 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 2wx6 n GLY 232 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wx6 s SER 233 N -2.12 -0.67 0.20 1.61 1.04 -0.53 -0.83 113.70 112.40 2wx6 s SER 233 Ca 0.18 0.94 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 2wx6 s SER 233 Cb -0.01 0.84 -0.08 0.00 0.10 0.00 0.00 66.02 66.87 2wx6 s SER 233 CO 0.12 -0.48 1.19 -0.31 0.98 0.00 0.00 173.24 174.74 2wx6 s TYR 234 N -0.65 3.43 -0.16 5.02 2.02 -0.28 -0.06 117.35 126.68 2wx6 s TYR 234 Ca -0.07 1.46 0.02 0.00 -0.37 0.00 0.00 57.07 58.10 2wx6 s TYR 234 Cb -0.02 -3.42 0.02 0.00 -0.40 0.00 0.00 41.96 38.14 2wx6 s TYR 234 CO 0.07 -1.13 -0.20 -1.14 -1.57 0.00 0.00 175.55 171.57 2wx6 s GLN 235 N -0.46 2.89 -0.15 -0.62 0.74 0.19 -1.86 119.66 120.39 2wx6 s GLN 235 Ca 0.51 -0.80 -0.03 0.00 0.05 0.00 0.00 55.36 55.10 2wx6 s GLN 235 Cb -0.33 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.33 2wx6 s GLN 235 CO 0.38 -0.13 -0.07 0.00 -0.55 0.00 0.00 175.29 174.92 2wx6 s ALA 236 N 1.12 2.86 -0.08 1.58 0.00 -0.43 -0.77 121.76 126.05 2wx6 s ALA 236 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2wx6 s ALA 236 Cb -0.14 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.52 2wx6 s ALA 236 CO -0.08 0.15 -0.17 0.08 0.00 0.00 0.00 175.76 175.74 2wx6 s VAL 237 N 0.49 1.51 -0.03 0.00 1.01 -0.59 -0.72 120.40 122.05 2wx6 s VAL 237 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2wx6 s VAL 237 Cb -0.15 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.93 2wx6 s VAL 237 CO 0.03 0.44 0.02 -0.13 0.00 0.00 0.00 175.10 175.46 2wx6 s ARG 238 N 0.47 0.14 -0.43 2.72 1.81 -0.03 -1.26 118.95 122.37 2wx6 s ARG 238 Ca -0.15 0.19 -0.21 0.00 -1.72 0.00 0.00 55.73 53.84 2wx6 s ARG 238 Cb -0.16 -0.48 0.02 0.00 -0.45 0.00 0.00 34.95 33.88 2wx6 s ARG 238 CO 0.05 -0.21 0.64 -0.51 -0.68 0.00 0.00 175.30 174.59 2wx6 s LEU 239 N 1.44 4.49 -0.29 2.53 1.02 -0.17 -1.00 118.68 126.70 2wx6 s LEU 239 Ca -0.04 -0.31 0.01 0.00 0.02 0.00 0.00 54.13 53.80 2wx6 s LEU 239 Cb -0.13 -2.72 0.06 0.00 0.02 0.00 0.00 46.19 43.42 2wx6 s LEU 239 CO -0.03 -0.76 -0.03 -0.63 0.02 0.00 0.00 176.35 174.93 2wx6 s ILE 240 N 2.79 2.63 0.38 -0.59 1.01 -0.45 -0.29 121.20 126.68 2wx6 s ILE 240 Ca 0.22 -1.61 -0.25 0.00 0.00 0.00 0.00 60.65 59.01 2wx6 s ILE 240 Cb -0.14 -2.58 -0.09 0.00 0.01 0.00 0.00 42.46 39.66 2wx6 s ILE 240 CO 0.19 -0.15 1.12 -1.10 0.00 0.00 0.00 174.94 174.99 2wx6 s GLN 241 N 1.16 4.16 -0.12 2.79 -0.21 -0.69 -1.26 119.66 125.49 2wx6 s GLN 241 Ca -0.04 1.74 -0.02 0.00 0.02 0.00 0.00 55.36 57.05 2wx6 s GLN 241 Cb -0.20 -2.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 2wx6 s GLN 241 CO -0.03 -0.20 -0.04 -0.06 -2.12 0.00 0.00 175.29 172.83 2wx6 s PHE 242 N -1.45 3.01 -1.24 0.91 0.08 0.31 -1.65 117.98 117.94 2wx6 s PHE 242 Ca 0.56 -0.14 -0.19 0.00 0.12 0.00 0.00 56.93 57.27 2wx6 s PHE 242 Cb -0.28 -1.86 0.05 0.00 -0.57 0.00 0.00 43.02 40.36 2wx6 s PHE 242 CO 0.36 0.14 1.72 1.03 -0.10 0.00 0.00 175.22 178.37 2wx6 s ARG 243 N -0.16 3.78 0.12 0.44 0.52 0.10 -4.54 118.95 119.20 2wx6 s ARG 243 Ca 0.03 -1.78 -0.12 0.00 -0.52 0.00 0.00 55.73 53.35 2wx6 s ARG 243 Cb -0.13 -5.48 -0.11 0.00 0.52 0.00 0.00 34.95 29.75 2wx6 s ARG 243 CO 0.02 -2.42 1.37 -0.39 0.02 0.00 0.00 175.30 173.90 2wx6 h VAL 244 N 5.82 1.28 -0.55 3.52 -1.51 -1.86 -1.21 116.25 121.74 2wx6 h VAL 244 Ca 0.39 -1.83 -0.10 0.00 -1.23 0.00 0.00 66.70 63.92 2wx6 h VAL 244 Cb 0.90 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 2wx6 h VAL 244 CO 1.43 0.59 -0.05 -0.33 -1.23 0.00 0.00 177.57 177.98 2wx6 h GLU 245 N 0.62 1.00 -0.07 5.19 3.07 -1.94 -0.94 114.58 121.50 2wx6 h GLU 245 Ca -0.01 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.49 2wx6 h GLU 245 Cb 1.26 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2wx6 h GLU 245 CO 0.14 1.02 0.01 0.35 -1.40 0.00 0.00 179.01 179.13 2wx6 h PHE 246 N 0.87 0.13 -0.57 4.33 3.57 -1.97 -2.62 116.94 120.67 2wx6 h PHE 246 Ca 0.15 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.74 2wx6 h PHE 246 Cb 0.60 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.21 2wx6 h PHE 246 CO 0.04 0.36 -0.09 2.35 -2.23 0.00 0.00 178.31 178.75 2wx6 h TRP 247 N -0.14 -0.20 0.00 0.41 2.91 -1.08 -0.94 115.95 116.91 2wx6 h TRP 247 Ca 0.02 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2wx6 h TRP 247 Cb 0.30 0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 2wx6 h TRP 247 CO 0.02 -0.21 0.00 -0.25 -1.03 0.00 0.00 178.44 176.97 2wx6 n ASP 248 N -5.35 0.00 -1.21 2.65 8.00 -0.37 -1.21 116.55 119.07 2wx6 n ASP 248 Ca 0.07 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.18 2wx6 n ASP 248 Cb 0.31 -0.50 0.28 0.00 -0.02 0.00 0.00 41.12 41.19 2wx6 n ASP 248 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wx6 n ARG 249 N -1.50 2.68 -4.12 -1.24 1.74 -0.37 -4.96 116.66 108.88 2wx6 n ARG 249 Ca 0.03 -2.49 -0.35 0.00 -0.77 0.00 0.00 57.85 54.27 2wx6 n ARG 249 Cb 0.13 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 2wx6 n ARG 249 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wx6 s THR 250 N -1.09 4.60 0.36 0.55 2.01 -0.35 -5.06 115.64 116.67 2wx6 s THR 250 Ca 0.43 -0.11 -0.25 0.00 0.31 0.00 0.00 61.69 62.08 2wx6 s THR 250 Cb 0.23 -3.04 -0.13 0.00 0.01 0.00 0.00 72.50 69.57 2wx6 s THR 250 CO 0.30 0.50 0.74 -2.65 -0.69 0.00 0.00 174.62 172.82 2wx6 n PRO 251 N 3.25 0.84 -0.17 4.92 -0.02 -1.26 -4.77 135.00 137.79 2wx6 n PRO 251 Ca -0.17 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2wx6 n PRO 251 Cb 0.53 -1.63 0.20 0.00 -0.02 0.00 0.00 33.50 32.57 2wx6 n PRO 251 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wx6 h LEU 252 N 1.25 0.84 -0.34 2.45 5.85 -1.97 -1.21 115.31 122.17 2wx6 h LEU 252 Ca -0.39 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.28 2wx6 h LEU 252 Cb 1.38 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 2wx6 h LEU 252 CO 0.55 0.74 -0.02 0.50 -0.34 0.00 0.00 178.44 179.87 2wx6 h LYS 253 N 0.91 0.07 -0.53 1.25 3.64 -2.00 -0.64 116.57 119.27 2wx6 h LYS 253 Ca 0.22 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2wx6 h LYS 253 Cb 0.16 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2wx6 h LYS 253 CO -0.02 0.04 -0.01 1.49 -2.27 0.00 0.00 179.45 178.68 2wx6 h GLU 254 N 0.07 0.91 -0.42 1.90 4.81 -1.82 -0.18 114.58 119.85 2wx6 h GLU 254 Ca 0.17 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2wx6 h GLU 254 Cb 0.24 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2wx6 h GLU 254 CO -0.30 0.91 0.24 1.96 -0.73 0.00 0.00 179.01 181.10 2wx6 h GLN 255 N 0.84 0.57 -0.51 1.92 4.20 -0.49 0.14 115.11 121.79 2wx6 h GLN 255 Ca 0.15 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 2wx6 h GLN 255 Cb 0.52 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2wx6 h GLN 255 CO 0.03 0.44 -0.14 1.96 -0.67 0.00 0.00 178.83 180.45 2wx6 h GLN 256 N 0.55 0.97 -0.57 1.46 4.20 -0.96 -2.25 115.11 118.51 2wx6 h GLN 256 Ca 0.15 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.53 2wx6 h GLN 256 Cb 0.02 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 2wx6 h GLN 256 CO -0.03 1.04 0.32 1.15 -0.67 0.00 0.00 178.83 180.64 2wx6 h THR 257 N 0.86 0.99 -0.53 -0.54 2.02 -0.75 0.56 112.91 115.52 2wx6 h THR 257 Ca 0.13 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2wx6 h THR 257 Cb 0.70 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2wx6 h THR 257 CO 0.05 0.11 0.29 0.40 0.37 0.00 0.00 175.52 176.74 2wx6 h ILE 258 N 0.61 0.99 0.00 3.11 2.04 -0.52 -3.13 117.51 120.61 2wx6 h ILE 258 Ca 0.25 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 2wx6 h ILE 258 Cb 0.11 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2wx6 h ILE 258 CO -0.15 0.10 -0.72 -0.26 0.00 0.00 0.00 178.15 177.13 2wx6 h PHE 259 N 0.57 0.00 -0.12 1.37 0.04 -1.03 -1.62 116.94 116.14 2wx6 h PHE 259 Ca 0.23 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 2wx6 h PHE 259 Cb 0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2wx6 h PHE 259 CO -0.09 0.28 -0.05 0.41 -0.60 0.00 0.00 178.31 178.27 2wx6 n GLY 260 N 1.22 0.59 3.03 -1.45 0.00 0.19 -2.76 105.19 106.02 2wx6 n GLY 260 Ca -0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 2wx6 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wx6 s ARG 261 N -1.59 0.47 0.28 1.61 0.52 -1.08 -1.41 118.95 117.75 2wx6 s ARG 261 Ca 0.00 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.24 2wx6 s ARG 261 Cb 0.00 -0.22 -0.11 0.00 0.52 0.00 0.00 34.95 35.14 2wx6 s ARG 261 CO 0.00 0.04 1.61 0.34 0.02 0.00 0.00 175.30 177.31 2wx6 s ASP 262 N -1.40 6.38 0.12 0.23 2.15 0.12 -4.54 116.67 119.73 2wx6 s ASP 262 Ca -0.10 2.92 -0.17 0.00 0.43 0.00 0.00 52.55 55.64 2wx6 s ASP 262 Cb -0.09 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 2wx6 s ASP 262 CO 0.00 -0.92 1.63 0.50 -0.17 0.00 0.00 175.17 176.21 2wx6 h LYS 263 N 5.21 0.53 0.06 4.34 3.64 -1.93 -1.40 116.57 127.02 2wx6 h LYS 263 Ca -0.46 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2wx6 h LYS 263 Cb 1.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2wx6 h LYS 263 CO 0.82 0.57 -0.03 1.96 -2.27 0.00 0.00 179.45 180.50 2wx6 h GLN 264 N 0.40 -0.08 0.00 1.90 4.20 -1.92 -3.35 115.11 116.25 2wx6 h GLN 264 Ca 0.11 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 2wx6 h GLN 264 Cb 0.26 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2wx6 h GLN 264 CO -0.00 0.50 -0.52 1.79 -0.67 0.00 0.00 178.83 179.93 2wx6 h THR 265 N -0.85 0.57 -0.14 -0.54 1.35 -1.98 -3.47 112.91 107.86 2wx6 h THR 265 Ca -0.01 -1.84 -0.06 0.00 -0.55 0.00 0.00 66.41 63.95 2wx6 h THR 265 Cb 0.63 2.23 -0.02 0.00 -1.73 0.00 0.00 68.15 69.25 2wx6 h THR 265 CO 0.01 0.33 -0.05 0.61 -0.25 0.00 0.00 175.52 176.17 2wx6 n GLY 266 N 1.21 0.56 3.75 5.82 0.00 -0.53 -4.18 105.19 111.83 2wx6 n GLY 266 Ca 0.01 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2wx6 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wx6 s ALA 267 N -1.88 3.34 0.37 4.61 0.00 -1.25 -4.58 121.76 122.36 2wx6 s ALA 267 Ca 0.00 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 2wx6 s ALA 267 Cb 0.00 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 2wx6 s ALA 267 CO 0.00 0.19 1.42 -2.30 0.00 0.00 0.00 175.76 175.07 2wx6 n PRO 268 N 1.56 2.48 -1.69 0.00 -0.02 -1.26 0.15 135.00 136.22 2wx6 n PRO 268 Ca -0.02 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 2wx6 n PRO 268 Cb 0.47 -2.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.40 2wx6 n PRO 268 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wx6 n LEU 269 N 0.52 3.78 0.00 2.45 4.77 -0.50 -1.15 117.00 126.87 2wx6 n LEU 269 Ca 0.02 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 2wx6 n LEU 269 Cb 0.38 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 2wx6 n LEU 269 CO 0.63 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2wx6 n GLY 270 N 0.83 3.25 3.91 -0.72 0.00 -1.26 -4.73 105.19 106.47 2wx6 n GLY 270 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2wx6 n GLY 270 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wx6 s MET 271 N -0.54 2.28 -0.24 1.61 -1.94 -0.30 -5.12 119.30 115.05 2wx6 s MET 271 Ca 0.00 -1.95 -0.15 0.00 -1.71 0.00 0.00 55.69 51.88 2wx6 s MET 271 Cb 0.00 -2.17 -0.10 0.00 2.01 0.00 0.00 34.83 34.57 2wx6 s MET 271 CO 0.00 -0.61 -0.35 1.04 -0.01 0.00 0.00 175.02 175.10 2wx6 n GLN 272 N -1.79 0.55 -4.28 2.03 1.13 -1.26 -4.81 117.38 108.96 2wx6 n GLN 272 Ca 0.00 0.24 -0.33 0.00 -1.94 0.00 0.00 57.00 54.98 2wx6 n GLN 272 Cb 0.64 -1.44 -0.09 0.00 0.11 0.00 0.00 30.24 29.46 2wx6 n GLN 272 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2wx6 s HIS 273 N -2.61 3.08 0.26 1.08 3.76 -1.26 -4.84 115.29 114.76 2wx6 s HIS 273 Ca -0.35 0.09 0.12 0.00 -0.15 0.00 0.00 55.06 54.77 2wx6 s HIS 273 Cb 0.11 -1.67 0.88 0.00 1.11 0.00 0.00 32.58 33.01 2wx6 s HIS 273 CO 0.46 0.46 1.13 -1.91 -0.85 0.00 0.00 174.74 174.03 2wx6 n GLU 274 N 1.39 -0.05 -0.72 1.40 2.13 -1.26 -0.71 120.64 122.83 2wx6 n GLU 274 Ca -0.14 1.01 0.09 0.00 0.66 0.00 0.00 57.16 58.77 2wx6 n GLU 274 Cb 0.53 -1.77 0.38 0.00 0.27 0.00 0.00 31.44 30.85 2wx6 n GLU 274 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2wx6 n HIS 275 N -4.70 1.70 -1.32 4.31 8.25 -1.26 -4.44 115.22 117.75 2wx6 n HIS 275 Ca 0.25 -0.65 -0.33 0.00 -0.26 0.00 0.00 57.72 56.74 2wx6 n HIS 275 Cb 0.84 -0.33 0.10 0.00 1.12 0.00 0.00 29.99 31.72 2wx6 n HIS 275 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wx6 s ASP 276 N -0.86 4.18 -0.16 0.41 1.01 0.11 -5.05 116.67 116.32 2wx6 s ASP 276 Ca 0.53 2.16 0.01 0.00 0.71 0.00 0.00 52.55 55.96 2wx6 s ASP 276 Cb 0.36 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.74 2wx6 s ASP 276 CO 0.23 -2.26 -0.18 -0.69 0.21 0.00 0.00 175.17 172.47 2wx6 s VAL 277 N -2.35 1.88 0.65 -1.27 1.01 -1.26 -4.76 120.40 114.30 2wx6 s VAL 277 Ca 0.69 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2wx6 s VAL 277 Cb -0.24 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2wx6 s VAL 277 CO 0.49 0.51 1.04 -2.16 0.00 0.00 0.00 175.10 174.98 2wx6 s PRO 278 N 1.25 3.36 -0.65 2.72 0.05 -1.26 -5.02 135.00 135.44 2wx6 s PRO 278 Ca 0.02 0.80 -0.09 0.00 0.05 0.00 0.00 61.00 61.78 2wx6 s PRO 278 Cb -0.13 -2.05 0.17 0.00 0.05 0.00 0.00 34.50 32.54 2wx6 s PRO 278 CO -0.10 -0.76 0.53 0.34 0.05 0.00 0.00 177.00 177.07 2wx6 s ASP 279 N -4.06 5.97 0.35 6.66 2.15 -1.26 -4.93 116.67 121.55 2wx6 s ASP 279 Ca 0.56 -2.48 0.15 0.00 0.43 0.00 0.00 52.55 51.21 2wx6 s ASP 279 Cb -0.12 -2.05 0.66 0.00 -0.30 0.00 0.00 42.92 41.11 2wx6 s ASP 279 CO 0.54 -0.56 1.76 1.88 -0.17 0.00 0.00 175.17 178.62 2wx6 h TYR 280 N 7.80 0.00 0.00 -5.34 0.05 -1.95 -2.64 116.97 114.88 2wx6 h TYR 280 Ca -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 2wx6 h TYR 280 Cb 1.03 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 2wx6 h TYR 280 CO 0.81 0.43 -0.04 0.00 -1.05 0.00 0.00 178.16 178.30 2wx6 h ALA 281 N 1.57 1.41 0.04 3.88 0.00 -2.00 -2.10 119.26 122.06 2wx6 h ALA 281 Ca -0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2wx6 h ALA 281 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2wx6 h ALA 281 CO 0.06 0.05 -1.00 0.77 0.00 0.00 0.00 179.25 179.12 2wx6 h SER 282 N 0.00 0.35 -2.76 0.00 0.02 -1.90 -3.39 113.55 105.87 2wx6 h SER 282 Ca -0.00 -0.32 -0.61 0.00 -0.84 0.00 0.00 61.79 60.02 2wx6 h SER 282 Cb 0.12 -0.11 -0.41 0.00 0.14 0.00 0.00 62.40 62.14 2wx6 h SER 282 CO 0.01 1.16 -0.67 -0.90 -1.14 0.00 0.00 176.83 175.28 2wx6 n ASP 283 N -3.62 2.39 0.24 3.07 5.75 -0.79 -4.93 116.55 118.65 2wx6 n ASP 283 Ca -0.05 -3.08 0.11 0.00 -0.01 0.00 0.00 54.79 51.76 2wx6 n ASP 283 Cb 0.88 -0.70 0.59 0.00 -1.03 0.00 0.00 41.12 40.87 2wx6 n ASP 283 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2wx6 h PRO 284 N 5.17 0.00 0.00 0.11 0.13 -1.76 -2.00 132.00 133.64 2wx6 h PRO 284 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2wx6 h PRO 284 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2wx6 h PRO 284 CO 0.66 0.19 -0.44 0.39 -0.23 0.00 0.00 178.00 178.57 2wx6 n GLU 285 N -3.59 0.08 -3.02 0.86 1.02 -1.26 -4.97 120.64 109.76 2wx6 n GLU 285 Ca -0.01 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 2wx6 n GLU 285 Cb 0.32 -1.56 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 2wx6 n GLU 285 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wx6 n GLY 286 N 1.45 -0.01 0.17 0.62 0.00 -0.75 -4.64 105.19 102.03 2wx6 n GLY 286 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 2wx6 n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wx6 h LYS 287 N -1.41 0.15 0.00 1.61 1.57 -1.94 -3.25 116.57 113.30 2wx6 h LYS 287 Ca -0.36 -0.09 -0.32 0.00 -1.87 0.00 0.00 60.65 58.02 2wx6 h LYS 287 Cb 1.22 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2wx6 h LYS 287 CO 0.32 0.63 -2.01 0.28 -0.57 0.00 0.00 179.45 178.11 2wx6 n VAL 288 N -3.93 1.52 -3.92 0.50 0.31 -1.26 -4.87 118.33 106.68 2wx6 n VAL 288 Ca -0.02 -0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 2wx6 n VAL 288 Cb 0.55 -2.03 -0.14 0.00 -0.91 0.00 0.00 33.84 31.31 2wx6 n VAL 288 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wx6 s ILE 289 N -2.59 2.98 0.61 2.52 1.01 -1.26 -4.76 121.20 119.71 2wx6 s ILE 289 Ca -0.35 -1.30 -0.19 0.00 0.00 0.00 0.00 60.65 58.81 2wx6 s ILE 289 Cb 0.11 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2wx6 s ILE 289 CO 0.47 -0.04 1.30 0.00 0.00 0.00 0.00 174.94 176.68 2wx6 n ALA 290 N 4.64 1.26 0.22 9.38 0.00 -1.23 -4.30 120.51 130.48 2wx6 n ALA 290 Ca -0.14 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.43 2wx6 n ALA 290 Cb 0.44 -2.33 0.52 0.00 0.00 0.00 0.00 19.45 18.08 2wx6 n ALA 290 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wx6 h LEU 291 N 0.82 0.00 -3.29 0.00 4.07 -1.82 -2.56 115.31 112.53 2wx6 h LEU 291 Ca -0.51 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.45 2wx6 h LEU 291 Cb 1.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.07 2wx6 h LEU 291 CO 0.54 0.24 0.00 -0.90 -1.08 0.00 0.00 178.44 177.25 2wx6 n ASP 292 N -3.69 5.15 -4.80 -0.43 3.85 -1.26 -3.95 116.55 111.43 2wx6 n ASP 292 Ca -0.01 -2.61 -0.31 0.00 -0.71 0.00 0.00 54.79 51.15 2wx6 n ASP 292 Cb 0.36 -0.62 0.07 0.00 -1.35 0.00 0.00 41.12 39.58 2wx6 n ASP 292 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2wx6 s SER 293 N -0.86 5.03 0.03 -1.12 1.04 -0.97 -2.21 113.70 114.64 2wx6 s SER 293 Ca 0.53 1.65 -0.22 0.00 0.48 0.00 0.00 55.95 58.39 2wx6 s SER 293 Cb 0.36 -2.46 -0.15 0.00 0.10 0.00 0.00 66.02 63.87 2wx6 s SER 293 CO 0.22 -1.68 1.40 -0.74 0.98 0.00 0.00 173.24 173.42 2wx6 h HIS 294 N -0.88 0.25 -0.56 5.02 2.76 -1.39 -1.54 115.15 118.80 2wx6 h HIS 294 Ca -0.44 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 57.73 2wx6 h HIS 294 Cb 1.22 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 30.07 2wx6 h HIS 294 CO 0.59 0.55 0.26 0.97 -1.30 0.00 0.00 177.93 179.01 2wx6 h ILE 295 N -0.12 0.89 0.05 6.26 2.10 -1.80 -2.86 117.51 122.03 2wx6 h ILE 295 Ca 0.03 -0.17 -0.13 0.00 1.08 0.00 0.00 64.86 65.67 2wx6 h ILE 295 Cb 0.48 0.36 -0.00 0.00 -1.09 0.00 0.00 36.82 36.57 2wx6 h ILE 295 CO 0.01 0.09 -0.64 -0.09 -1.08 0.00 0.00 178.15 176.44 2wx6 h ARG 296 N 0.49 0.10 -0.41 2.19 2.43 -1.82 -3.26 114.38 114.11 2wx6 h ARG 296 Ca 0.26 -0.18 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2wx6 h ARG 296 Cb 0.23 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2wx6 h ARG 296 CO -0.21 1.08 0.28 -0.07 -1.51 0.00 0.00 179.97 179.54 2wx6 h LEU 297 N -0.75 0.19 -2.36 3.80 3.38 -1.39 -2.46 115.31 115.72 2wx6 h LEU 297 Ca -0.15 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2wx6 h LEU 297 Cb 1.32 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2wx6 h LEU 297 CO 0.00 0.12 0.19 0.00 0.09 0.00 0.00 178.44 178.84 2wx6 h ALA 298 N 1.79 1.47 -2.89 1.53 0.00 -1.55 -3.41 119.26 116.21 2wx6 h ALA 298 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2wx6 h ALA 298 Cb 0.46 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 2wx6 h ALA 298 CO -0.03 -0.24 0.07 0.54 0.00 0.00 0.00 179.25 179.59 2wx6 s ASN 299 N -5.24 -0.39 0.00 0.00 6.03 -0.93 -4.91 114.94 109.50 2wx6 s ASN 299 Ca -0.04 -0.21 0.00 0.00 -1.03 0.00 0.00 52.86 51.58 2wx6 s ASN 299 Cb 0.13 0.55 0.00 0.00 -3.03 0.00 0.00 41.25 38.90 2wx6 s ASN 299 CO 0.44 -0.94 0.00 -1.54 -2.03 0.00 0.00 177.10 173.02 2wx6 n SER 308 N -0.31 -1.23 -4.74 3.54 3.41 -1.23 -4.97 113.62 108.08 2wx6 n SER 308 Ca -0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.11 2wx6 n SER 308 Cb 0.64 -0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.45 2wx6 n SER 308 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wx6 s LEU 309 N 0.00 3.45 0.13 1.04 2.01 -1.26 -4.77 118.68 119.29 2wx6 s LEU 309 Ca 0.00 2.28 -0.23 0.00 0.01 0.00 0.00 54.13 56.19 2wx6 s LEU 309 Cb 0.00 -4.58 0.07 0.00 0.01 0.00 0.00 46.19 41.68 2wx6 s LEU 309 CO 0.00 -1.89 0.59 0.00 1.01 0.00 0.00 176.35 176.05 2wx6 s MET 310 N -3.76 1.23 -0.34 1.70 0.23 -1.26 -4.68 119.30 112.43 2wx6 s MET 310 Ca 0.74 -0.42 -0.13 0.00 -1.03 0.00 0.00 55.69 54.84 2wx6 s MET 310 Cb -0.27 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 2wx6 s MET 310 CO 0.40 -0.52 0.27 -1.17 -2.03 0.00 0.00 175.02 171.97 2wx6 s LEU 311 N -2.59 4.47 0.03 0.18 2.96 -0.40 -4.54 118.68 118.80 2wx6 s LEU 311 Ca -0.00 -0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 53.38 2wx6 s LEU 311 Cb -0.01 -2.19 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 2wx6 s LEU 311 CO -0.10 -0.25 0.52 -0.13 -1.32 0.00 0.00 176.35 175.07 2wx6 s ARG 312 N 1.79 4.14 -0.38 1.98 0.52 -1.26 -1.01 118.95 124.74 2wx6 s ARG 312 Ca 0.07 0.63 0.12 0.00 -0.52 0.00 0.00 55.73 56.03 2wx6 s ARG 312 Cb -0.17 -3.26 0.36 0.00 0.52 0.00 0.00 34.95 32.40 2wx6 s ARG 312 CO 0.11 0.60 0.84 -2.13 0.02 0.00 0.00 175.30 174.74 2wx6 n ARG 313 N 1.96 1.00 -2.66 3.54 0.63 0.40 -4.99 116.66 116.53 2wx6 n ARG 313 Ca -0.11 -3.06 -0.28 0.00 -0.92 0.00 0.00 57.85 53.48 2wx6 n ARG 313 Cb 0.51 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 31.93 2wx6 n ARG 313 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wx6 s GLY 314 N -2.26 1.56 0.05 5.14 0.00 -1.25 -4.36 107.32 106.19 2wx6 s GLY 314 Ca 0.35 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.66 2wx6 s GLY 314 CO -0.06 -0.29 -0.14 -0.19 0.00 0.00 0.00 173.10 172.41 2wx6 s TYR 315 N -2.69 1.25 0.70 1.90 1.51 -0.64 -4.98 117.35 114.41 2wx6 s TYR 315 Ca 0.48 -0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 56.03 2wx6 s TYR 315 Cb -0.10 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2wx6 s TYR 315 CO 0.43 0.04 1.09 -1.12 -1.11 0.00 0.00 175.55 174.88 2wx6 s SER 316 N -1.28 5.02 0.05 2.29 0.01 -0.15 0.85 113.70 120.49 2wx6 s SER 316 Ca 0.01 1.86 -0.04 0.00 1.31 0.00 0.00 55.95 59.09 2wx6 s SER 316 Cb -0.08 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2wx6 s SER 316 CO 0.02 -1.69 0.05 -0.72 0.41 0.00 0.00 173.24 171.30 2wx6 s TYR 317 N -2.66 0.33 -0.22 2.43 -0.85 -0.57 -0.47 117.35 115.34 2wx6 s TYR 317 Ca 0.63 -0.75 -0.07 0.00 -0.52 0.00 0.00 57.07 56.36 2wx6 s TYR 317 Cb -0.18 -0.24 0.10 0.00 0.38 0.00 0.00 41.96 42.03 2wx6 s TYR 317 CO 0.48 -0.38 0.46 0.45 -1.52 0.00 0.00 175.55 175.04 2wx6 s SER 318 N -2.50 -0.41 0.00 -0.18 0.15 -1.26 -1.73 113.70 107.77 2wx6 s SER 318 Ca 0.00 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2wx6 s SER 318 Cb 0.03 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 2wx6 s SER 318 CO -0.07 -0.23 0.00 0.18 1.20 0.00 0.00 173.24 174.31 2wx6 n LEU 319 N 5.40 0.00 0.00 3.45 4.77 -0.24 -5.02 117.00 125.37 2wx6 n LEU 319 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2wx6 n LEU 319 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2wx6 n LEU 319 CO -0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2wx6 n GLY 320 N 5.00 0.85 3.09 -0.72 0.00 -1.26 -4.88 105.19 107.27 2wx6 n GLY 320 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2wx6 n GLY 320 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wx6 s VAL 321 N 2.43 0.73 0.92 1.61 -7.23 -1.26 -1.95 120.40 115.65 2wx6 s VAL 321 Ca 0.00 -1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 2wx6 s VAL 321 Cb 0.00 -0.74 0.14 0.00 0.56 0.00 0.00 36.38 36.34 2wx6 s VAL 321 CO 0.00 -0.27 1.10 0.42 -0.31 0.00 0.00 175.10 176.04 2wx6 s THR 322 N -1.21 2.41 0.51 5.32 -4.23 0.21 -4.78 115.64 113.87 2wx6 s THR 322 Ca -0.06 0.13 0.27 0.00 -1.18 0.00 0.00 61.69 60.85 2wx6 s THR 322 Cb -0.09 -2.70 0.31 0.00 1.34 0.00 0.00 72.50 71.36 2wx6 s THR 322 CO 0.01 -0.17 2.16 0.78 -0.54 0.00 0.00 174.62 176.86 2wx6 h ASN 323 N -1.59 0.00 0.83 3.99 2.35 -2.01 0.10 115.58 119.25 2wx6 h ASN 323 Ca -0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 2wx6 h ASN 323 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2wx6 h ASN 323 CO 0.58 0.06 0.00 -1.20 -1.65 0.00 0.00 177.43 175.21 2wx6 n SER 324 N -3.86 0.00 0.00 5.81 7.64 -1.26 -4.92 113.62 117.03 2wx6 n SER 324 Ca -0.03 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2wx6 n SER 324 Cb 0.15 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2wx6 n SER 324 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wx6 n GLY 325 N 1.03 0.86 3.95 0.23 0.00 0.36 -5.08 105.19 106.54 2wx6 n GLY 325 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2wx6 n GLY 325 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wx6 s GLN 326 N -0.73 3.22 0.27 1.61 1.11 -1.26 -4.77 119.66 119.12 2wx6 s GLN 326 Ca 0.00 -0.47 -0.30 0.00 0.01 0.00 0.00 55.36 54.59 2wx6 s GLN 326 Cb 0.00 -2.62 -0.11 0.00 -1.01 0.00 0.00 33.01 29.27 2wx6 s GLN 326 CO 0.00 -0.10 1.58 -0.51 0.01 0.00 0.00 175.29 176.27 2wx6 s LEU 327 N -4.44 4.35 -0.54 2.90 1.43 -1.26 0.64 118.68 121.76 2wx6 s LEU 327 Ca 0.45 2.89 -0.17 0.00 -1.03 0.00 0.00 54.13 56.27 2wx6 s LEU 327 Cb -0.10 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.60 2wx6 s LEU 327 CO 0.37 -0.88 0.55 -0.62 0.23 0.00 0.00 176.35 175.99 2wx6 s ASP 328 N 0.55 6.18 0.14 2.29 -1.08 -0.82 -4.63 116.67 119.30 2wx6 s ASP 328 Ca 0.64 -1.57 -0.14 0.00 -0.52 0.00 0.00 52.55 50.96 2wx6 s ASP 328 Cb -0.47 -2.24 0.02 0.00 -1.46 0.00 0.00 42.92 38.78 2wx6 s ASP 328 CO 0.45 -0.90 0.37 0.00 0.52 0.00 0.00 175.17 175.61 2wx6 s MET 329 N 1.97 1.10 0.00 4.34 0.23 -1.26 -1.07 119.30 124.60 2wx6 s MET 329 Ca 0.06 -0.85 0.00 0.00 -1.03 0.00 0.00 55.69 53.87 2wx6 s MET 329 Cb -0.27 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 2wx6 s MET 329 CO 0.05 -0.42 0.00 0.41 -2.03 0.00 0.00 175.02 173.03 2wx6 n GLY 330 N -0.21 -0.74 3.04 3.16 0.00 -0.70 -0.53 105.19 109.19 2wx6 n GLY 330 Ca -0.13 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 2wx6 n GLY 330 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wx6 s LEU 331 N 0.00 1.67 -0.82 0.99 2.96 -0.39 -1.52 118.68 121.58 2wx6 s LEU 331 Ca 0.00 -0.33 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 2wx6 s LEU 331 Cb 0.00 -0.90 0.12 0.00 0.50 0.00 0.00 46.19 45.90 2wx6 s LEU 331 CO 0.00 0.04 1.02 -0.76 -1.32 0.00 0.00 176.35 175.33 2wx6 s LEU 332 N 0.71 5.02 -0.07 -0.68 1.43 0.25 -1.34 118.68 124.00 2wx6 s LEU 332 Ca -0.13 -1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 50.92 2wx6 s LEU 332 Cb -0.16 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2wx6 s LEU 332 CO 0.03 -1.14 0.98 0.12 0.23 0.00 0.00 176.35 176.58 2wx6 s PHE 333 N 2.89 3.56 -0.04 0.29 5.36 -0.17 -1.61 117.98 128.26 2wx6 s PHE 333 Ca 0.27 1.61 0.01 0.00 -0.96 0.00 0.00 56.93 57.86 2wx6 s PHE 333 Cb -0.10 -3.15 0.02 0.00 -0.34 0.00 0.00 43.02 39.44 2wx6 s PHE 333 CO -0.03 -0.15 -0.05 0.08 -1.46 0.00 0.00 175.22 173.61 2wx6 s VAL 334 N 1.65 0.54 0.03 3.12 1.01 -1.26 -0.85 120.40 124.64 2wx6 s VAL 334 Ca 0.49 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2wx6 s VAL 334 Cb -0.19 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2wx6 s VAL 334 CO 0.21 0.21 -0.05 0.00 0.00 0.00 0.00 175.10 175.47 2wx6 s TYR 336 N -1.39 2.19 0.07 0.00 2.02 -0.18 -1.31 117.35 118.75 2wx6 s TYR 336 Ca -0.13 -0.55 -0.25 0.00 -0.37 0.00 0.00 57.07 55.77 2wx6 s TYR 336 Cb -0.10 -1.43 0.07 0.00 -0.40 0.00 0.00 41.96 40.10 2wx6 s TYR 336 CO -0.00 -0.13 0.61 1.14 -1.57 0.00 0.00 175.55 175.59 2wx6 s GLN 337 N -0.29 1.16 0.46 -0.62 0.00 -0.78 -1.27 119.66 118.32 2wx6 s GLN 337 Ca 0.02 -0.20 0.24 0.00 -0.00 0.00 0.00 55.36 55.42 2wx6 s GLN 337 Cb -0.11 0.54 1.11 0.00 0.00 0.00 0.00 33.01 34.54 2wx6 s GLN 337 CO 0.02 -0.45 1.92 1.12 0.00 0.00 0.00 175.29 177.89 2wx6 h HIS 338 N 2.47 0.00 -2.72 9.60 2.07 0.78 -0.73 115.15 126.63 2wx6 h HIS 338 Ca -0.31 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 56.97 2wx6 h HIS 338 Cb 1.24 0.00 -0.33 0.00 2.57 0.00 0.00 27.41 30.88 2wx6 h HIS 338 CO 0.30 0.20 -0.55 0.34 -3.07 0.00 0.00 177.93 175.15 2wx6 s ASP 339 N -6.22 0.60 0.37 3.10 2.15 -1.26 -4.62 116.67 110.79 2wx6 s ASP 339 Ca -0.01 0.36 0.07 0.00 0.43 0.00 0.00 52.55 53.41 2wx6 s ASP 339 Cb 0.12 0.64 0.71 0.00 -0.30 0.00 0.00 42.92 44.08 2wx6 s ASP 339 CO 0.62 -0.26 1.90 0.25 -0.17 0.00 0.00 175.17 177.51 2wx6 h LEU 340 N 8.29 0.35 -0.30 -1.34 5.85 -1.88 -0.14 115.31 126.13 2wx6 h LEU 340 Ca -0.15 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 2wx6 h LEU 340 Cb 1.13 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2wx6 h LEU 340 CO 0.18 0.46 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.55 2wx6 h GLU 341 N 0.36 0.60 0.00 1.25 4.81 -1.97 -2.19 114.58 117.44 2wx6 h GLU 341 Ca 0.08 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 2wx6 h GLU 341 Cb 0.34 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2wx6 h GLU 341 CO 0.02 0.81 -0.53 0.87 -0.73 0.00 0.00 179.01 179.45 2wx6 h LYS 342 N 0.36 0.00 0.00 1.92 1.57 -1.88 -2.89 116.57 115.65 2wx6 h LYS 342 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wx6 h LYS 342 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wx6 h LYS 342 CO 0.04 0.53 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 2wx6 n GLY 343 N 0.79 0.51 0.29 3.86 0.00 -0.10 -3.50 105.19 107.04 2wx6 n GLY 343 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2wx6 n GLY 343 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wx6 h PHE 344 N 0.00 1.00 -0.75 1.61 3.57 -1.77 -2.21 116.94 118.40 2wx6 h PHE 344 Ca 0.00 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 2wx6 h PHE 344 Cb 0.00 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 2wx6 h PHE 344 CO 0.00 0.79 0.27 -0.07 -2.23 0.00 0.00 178.31 177.06 2wx6 h LEU 345 N 0.93 1.05 -0.19 0.59 3.38 -1.56 -0.32 115.31 119.20 2wx6 h LEU 345 Ca 0.22 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2wx6 h LEU 345 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2wx6 h LEU 345 CO -0.02 0.95 0.02 0.74 0.09 0.00 0.00 178.44 180.22 2wx6 h THR 346 N 1.10 1.24 -0.01 0.22 2.02 -1.42 -2.90 112.91 113.14 2wx6 h THR 346 Ca 0.25 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2wx6 h THR 346 Cb 0.25 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2wx6 h THR 346 CO -0.01 0.24 -0.03 0.58 0.37 0.00 0.00 175.52 176.66 2wx6 h VAL 347 N 0.09 1.48 -0.90 3.16 2.07 -1.13 -2.09 116.25 118.93 2wx6 h VAL 347 Ca 0.05 -1.47 0.06 0.00 0.82 0.00 0.00 66.70 66.17 2wx6 h VAL 347 Cb 0.35 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 2wx6 h VAL 347 CO 0.01 0.39 0.59 -0.61 0.02 0.00 0.00 177.57 177.96 2wx6 h GLN 348 N -0.55 1.01 -0.55 1.57 5.75 -1.20 -2.30 115.11 118.84 2wx6 h GLN 348 Ca -0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2wx6 h GLN 348 Cb 0.65 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2wx6 h GLN 348 CO 0.01 0.67 0.36 -0.22 -2.65 0.00 0.00 178.83 177.00 2wx6 h LYS 349 N 1.04 0.73 -0.82 1.69 3.64 -1.34 -1.71 116.57 119.80 2wx6 h LYS 349 Ca 0.38 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.83 2wx6 h LYS 349 Cb 0.16 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 2wx6 h LYS 349 CO -0.14 0.49 0.53 0.00 -2.27 0.00 0.00 179.45 178.06 2wx6 h ARG 350 N 0.74 0.68 -0.00 1.90 3.08 -0.90 -2.79 114.38 117.09 2wx6 h ARG 350 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2wx6 h ARG 350 Cb -0.07 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2wx6 h ARG 350 CO -0.04 0.45 -0.01 1.28 -1.07 0.00 0.00 179.97 180.58 2wx6 n LEU 351 N -4.52 0.03 -4.69 3.04 4.77 -0.66 -4.84 117.00 110.13 2wx6 n LEU 351 Ca 0.14 0.23 -0.51 0.00 -0.03 0.00 0.00 56.01 55.85 2wx6 n LEU 351 Cb 0.37 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2wx6 n LEU 351 CO 0.32 0.00 1.44 -3.20 -1.33 0.00 0.00 177.39 174.62 2wx6 n ASN 352 N -1.23 3.18 0.00 -1.43 5.15 -1.06 -1.34 115.26 118.54 2wx6 n ASN 352 Ca 0.16 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 2wx6 n ASN 352 Cb 0.23 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 2wx6 n ASN 352 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wx6 n GLY 353 N 4.33 0.71 3.74 8.20 0.00 -1.26 -5.06 105.19 115.84 2wx6 n GLY 353 Ca 0.23 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2wx6 n GLY 353 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wx6 s GLU 354 N -0.63 1.96 0.43 1.61 -1.05 -0.45 -4.91 118.70 115.65 2wx6 s GLU 354 Ca 0.00 1.37 0.15 0.00 -0.15 0.00 0.00 54.97 56.34 2wx6 s GLU 354 Cb 0.00 -1.85 0.94 0.00 -0.44 0.00 0.00 34.13 32.78 2wx6 s GLU 354 CO 0.00 -1.90 1.94 0.00 0.95 0.00 0.00 175.26 176.25 2wx6 h ALA 355 N -1.11 1.56 0.00 -0.84 0.00 -1.77 -2.10 119.26 115.00 2wx6 h ALA 355 Ca -0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2wx6 h ALA 355 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2wx6 h ALA 355 CO 0.49 0.30 -0.10 1.25 0.00 0.00 0.00 179.25 181.19 2wx6 h LEU 356 N 0.00 0.00 -1.91 0.00 5.85 -1.84 -2.83 115.31 114.58 2wx6 h LEU 356 Ca -0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 2wx6 h LEU 356 Cb 0.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2wx6 h LEU 356 CO 0.03 0.10 0.55 -0.33 -0.34 0.00 0.00 178.44 178.46 2wx6 h GLU 357 N 0.00 0.00 0.00 1.25 5.08 -1.67 0.41 114.58 119.65 2wx6 h GLU 357 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2wx6 h GLU 357 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wx6 h GLU 357 CO 0.01 0.00 -0.09 1.49 -1.00 0.00 0.00 179.01 179.42 2wx6 h GLU 358 N 0.00 0.00 -0.00 2.33 4.81 -1.72 -3.21 114.58 116.79 2wx6 h GLU 358 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2wx6 h GLU 358 Cb 1.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.76 2wx6 h GLU 358 CO -0.00 0.09 -0.11 0.66 -0.73 0.00 0.00 179.01 178.91 2wx6 n TYR 359 N -3.43 0.00 -4.25 0.92 4.01 0.14 -4.94 117.16 109.61 2wx6 n TYR 359 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 2wx6 n TYR 359 Cb 0.24 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.17 2wx6 n TYR 359 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wx6 s VAL 360 N -0.95 1.31 -0.36 -0.72 -7.23 -0.95 -0.72 120.40 110.78 2wx6 s VAL 360 Ca 0.04 -1.87 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2wx6 s VAL 360 Cb 0.04 -1.67 0.17 0.00 0.56 0.00 0.00 36.38 35.48 2wx6 s VAL 360 CO 0.13 -0.54 0.47 -0.75 -0.31 0.00 0.00 175.10 174.10 2wx6 s LYS 361 N -3.09 0.64 0.32 4.82 2.20 -0.66 -4.76 119.74 119.21 2wx6 s LYS 361 Ca 0.12 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 2wx6 s LYS 361 Cb -0.02 -0.35 -0.11 0.00 -1.51 0.00 0.00 37.83 35.84 2wx6 s LYS 361 CO 0.03 -1.15 1.49 -2.14 -0.36 0.00 0.00 175.35 173.22 2wx6 s PRO 362 N 1.85 4.17 0.00 4.03 0.02 -1.26 -1.70 135.00 142.12 2wx6 s PRO 362 Ca 0.15 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.65 2wx6 s PRO 362 Cb -0.11 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2wx6 s PRO 362 CO -0.11 -0.50 0.03 0.44 -0.33 0.00 0.00 177.00 176.52 2wx6 n ILE 363 N 1.46 0.00 -3.52 2.83 -5.35 0.60 -1.03 119.36 114.35 2wx6 n ILE 363 Ca 0.04 -0.08 -0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2wx6 n ILE 363 Cb 0.39 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 2wx6 n ILE 363 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wx6 n GLY 364 N 0.12 1.16 0.00 3.28 0.00 -1.20 -0.66 105.19 107.89 2wx6 n GLY 364 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2wx6 n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 365 N -0.05 0.11 0.00 -0.02 0.00 -0.38 -1.00 105.19 103.85 2wx6 n GLY 365 Ca -0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2wx6 n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 366 N 0.00 -2.66 3.61 -0.02 0.00 -0.39 -0.76 105.19 104.97 2wx6 n GLY 366 Ca 0.00 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 2wx6 n GLY 366 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wx6 s TYR 367 N -2.11 2.97 0.10 1.61 4.12 -1.26 -1.55 117.35 121.23 2wx6 s TYR 367 Ca 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 57.07 57.09 2wx6 s TYR 367 Cb 0.00 -1.70 -0.02 0.00 -1.52 0.00 0.00 41.96 38.72 2wx6 s TYR 367 CO 0.00 0.37 0.10 -0.06 0.02 0.00 0.00 175.55 175.98 2wx6 s PHE 368 N -0.89 0.48 -0.28 2.71 0.40 0.05 -4.35 117.98 116.11 2wx6 s PHE 368 Ca 0.14 -0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 55.49 2wx6 s PHE 368 Cb -0.11 -0.27 0.01 0.00 0.51 0.00 0.00 43.02 43.16 2wx6 s PHE 368 CO 0.04 -0.51 0.04 0.12 0.70 0.00 0.00 175.22 175.61 2wx6 s PHE 369 N -3.94 3.12 -0.18 0.36 5.36 0.16 -0.64 117.98 122.22 2wx6 s PHE 369 Ca 0.12 -1.06 -0.29 0.00 -0.96 0.00 0.00 56.93 54.74 2wx6 s PHE 369 Cb 0.06 -2.21 -0.02 0.00 -0.34 0.00 0.00 43.02 40.52 2wx6 s PHE 369 CO -0.06 -0.59 1.41 0.00 -1.46 0.00 0.00 175.22 174.52 2wx6 s ALA 370 N 1.47 3.53 0.83 11.12 0.00 0.92 -1.65 121.76 137.98 2wx6 s ALA 370 Ca 0.02 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 2wx6 s ALA 370 Cb -0.17 -3.72 0.09 0.00 0.00 0.00 0.00 23.12 19.33 2wx6 s ALA 370 CO 0.01 -1.47 1.13 1.28 0.00 0.00 0.00 175.76 176.71 2wx6 n LEU 371 N 7.23 3.84 -4.55 0.00 4.77 -1.15 -1.45 117.00 125.69 2wx6 n LEU 371 Ca 0.16 0.54 -0.30 0.00 -0.03 0.00 0.00 56.01 56.38 2wx6 n LEU 371 Cb 0.45 -1.48 0.21 0.00 -2.33 0.00 0.00 43.42 40.27 2wx6 n LEU 371 CO 0.60 -1.94 0.53 -0.81 -1.33 0.00 0.00 177.39 174.45 2wx6 n PRO 372 N -3.28 -1.47 -1.03 3.23 -0.04 -1.26 -4.54 135.00 126.61 2wx6 n PRO 372 Ca 0.13 -0.38 -0.30 0.00 -0.04 0.00 0.00 63.50 62.91 2wx6 n PRO 372 Cb 0.51 -2.24 0.15 0.00 -0.04 0.00 0.00 33.50 31.88 2wx6 n PRO 372 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2wx6 s GLY 373 N -2.48 1.63 -0.44 0.55 0.00 -0.26 -4.62 107.32 101.70 2wx6 s GLY 373 Ca 0.67 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 45.32 2wx6 s GLY 373 CO 0.62 0.59 0.46 0.14 0.00 0.00 0.00 173.10 174.91 2wx6 s VAL 374 N -2.81 5.08 0.28 1.40 1.01 -1.12 -4.79 120.40 119.44 2wx6 s VAL 374 Ca 0.64 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2wx6 s VAL 374 Cb -0.20 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2wx6 s VAL 374 CO 0.58 -0.50 1.67 0.07 0.00 0.00 0.00 175.10 176.92 2wx6 h LYS 375 N 8.77 0.28 -3.15 2.72 2.10 -1.92 -1.12 116.57 124.25 2wx6 h LYS 375 Ca -0.27 -0.14 -0.03 0.00 -2.00 0.00 0.00 60.65 58.22 2wx6 h LYS 375 Cb 1.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 2wx6 h LYS 375 CO 0.83 0.67 0.20 0.16 -2.00 0.00 0.00 179.45 179.31 2wx6 s ASP 376 N -6.88 0.03 0.59 7.07 1.47 -1.26 -4.06 116.67 113.63 2wx6 s ASP 376 Ca -0.05 -1.04 0.29 0.00 1.18 0.00 0.00 52.55 52.93 2wx6 s ASP 376 Cb 0.13 0.79 1.39 0.00 -0.34 0.00 0.00 42.92 44.89 2wx6 s ASP 376 CO 0.78 -1.55 1.78 0.00 0.68 0.00 0.00 175.17 176.86 2wx6 h ALA 377 N 2.02 2.40 -0.00 2.11 0.00 -2.03 0.17 119.26 123.94 2wx6 h ALA 377 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wx6 h ALA 377 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wx6 h ALA 377 CO 0.36 -0.98 -0.34 0.09 0.00 0.00 0.00 179.25 178.38 2wx6 n ASN 378 N -3.65 0.40 -4.91 0.00 4.13 -1.26 -4.91 115.26 105.07 2wx6 n ASN 378 Ca 0.13 -0.12 -0.22 0.00 1.68 0.00 0.00 54.58 56.05 2wx6 n ASN 378 Cb 0.88 0.04 0.06 0.00 -1.54 0.00 0.00 39.78 39.22 2wx6 n ASN 378 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2wx6 s ASP 379 N -2.94 5.04 0.16 6.41 2.15 0.61 -5.13 116.67 122.96 2wx6 s ASP 379 Ca 0.13 -0.11 -0.18 0.00 0.43 0.00 0.00 52.55 52.82 2wx6 s ASP 379 Cb 0.18 -0.63 0.04 0.00 -0.30 0.00 0.00 42.92 42.21 2wx6 s ASP 379 CO 0.64 -1.33 0.49 -0.72 -0.17 0.00 0.00 175.17 174.07 2wx6 s TYR 380 N -2.86 -0.23 -0.03 -5.34 -0.85 -1.26 -4.88 117.35 101.90 2wx6 s TYR 380 Ca 0.60 -0.07 -0.36 0.00 -0.52 0.00 0.00 57.07 56.71 2wx6 s TYR 380 Cb -0.09 0.37 -0.14 0.00 0.38 0.00 0.00 41.96 42.48 2wx6 s TYR 380 CO 0.40 -0.82 1.65 1.19 -1.52 0.00 0.00 175.55 176.46 2wx6 n PHE 381 N -0.30 2.08 -2.38 -3.49 3.72 -1.25 -2.43 117.46 113.40 2wx6 n PHE 381 Ca -0.14 0.33 -0.18 0.00 -0.05 0.00 0.00 57.45 57.41 2wx6 n PHE 381 Cb 0.63 -2.51 -0.00 0.00 -0.94 0.00 0.00 39.48 36.66 2wx6 n PHE 381 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wx6 n GLY 382 N 3.68 -0.35 0.13 1.37 0.00 -1.26 -4.72 105.19 104.04 2wx6 n GLY 382 Ca 0.21 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2wx6 n GLY 382 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wx6 h SER 383 N -0.11 0.30 -0.38 1.61 4.64 -1.90 -0.74 113.55 116.96 2wx6 h SER 383 Ca -0.42 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 2wx6 h SER 383 Cb 1.31 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 2wx6 h SER 383 CO 0.49 0.24 0.16 0.00 -0.87 0.00 0.00 176.83 176.84 2wx6 h ALA 384 N 1.07 0.46 -0.88 5.18 0.00 -1.91 -2.25 119.26 120.92 2wx6 h ALA 384 Ca 0.09 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2wx6 h ALA 384 Cb -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2wx6 h ALA 384 CO -0.02 -0.23 0.58 1.25 0.00 0.00 0.00 179.25 180.83 2wx6 h LEU 385 N 0.33 0.97 0.00 0.00 5.85 -1.82 -3.18 115.31 117.46 2wx6 h LEU 385 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wx6 h LEU 385 Cb 0.12 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2wx6 h LEU 385 CO -0.15 0.68 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 2wx6 n LEU 386 N -4.51 0.00 0.00 2.25 4.77 -0.30 -4.25 117.00 114.96 2wx6 n LEU 386 Ca 0.11 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2wx6 n LEU 386 Cb 0.07 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2wx6 n LEU 386 CO 0.35 -0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.94 2wx6 n ARG 387 N -1.05 0.00 0.00 3.23 1.74 -1.11 -5.07 116.66 114.39 2wx6 n ARG 387 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2wx6 n ARG 387 Cb 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 2wx6 n ARG 387 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66