#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qcy n GLY 2 N 0.00 4.05 3.74 0.46 0.00 -1.19 -4.72 105.19 107.53 2qcy n GLY 2 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2qcy n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qcy s PHE 3 N -1.87 3.18 -0.16 1.61 5.36 -1.26 -4.99 117.98 119.86 2qcy s PHE 3 Ca 0.00 1.15 -0.00 0.00 -0.96 0.00 0.00 56.93 57.11 2qcy s PHE 3 Cb 0.00 -3.67 -0.00 0.00 -0.34 0.00 0.00 43.02 39.00 2qcy s PHE 3 CO 0.00 -2.15 -0.14 1.03 -1.46 0.00 0.00 175.22 172.50 2qcy s ARG 4 N -0.13 3.24 0.52 10.12 1.81 -1.26 -5.11 118.95 128.14 2qcy s ARG 4 Ca 0.58 -0.73 -0.19 0.00 -1.72 0.00 0.00 55.73 53.66 2qcy s ARG 4 Cb -0.38 -2.67 -0.07 0.00 -0.45 0.00 0.00 34.95 31.39 2qcy s ARG 4 CO 0.39 0.00 1.08 0.15 -0.68 0.00 0.00 175.30 176.25 2qcy s LYS 5 N 0.86 3.54 0.26 3.54 1.02 -1.26 -4.87 119.74 122.83 2qcy s LYS 5 Ca -0.04 1.47 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 2qcy s LYS 5 Cb -0.15 -2.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.02 2qcy s LYS 5 CO -0.01 -0.67 1.17 1.41 -0.92 0.00 0.00 175.35 176.34 2qcy s MET 6 N -3.33 4.54 0.23 1.68 -2.45 -1.26 -5.00 119.30 113.70 2qcy s MET 6 Ca 0.70 1.91 -0.30 0.00 -1.25 0.00 0.00 55.69 56.74 2qcy s MET 6 Cb -0.20 -3.18 -0.09 0.00 1.25 0.00 0.00 34.83 32.61 2qcy s MET 6 CO 0.25 0.03 1.00 0.00 1.05 0.00 0.00 175.02 177.35 2qcy s ALA 7 N -0.77 3.35 0.35 4.11 0.00 -1.26 -4.56 121.76 122.98 2qcy s ALA 7 Ca 0.48 0.70 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2qcy s ALA 7 Cb -0.34 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2qcy s ALA 7 CO 0.42 0.05 0.15 -0.06 0.00 0.00 0.00 175.76 176.32 2qcy s PHE 8 N -0.93 2.68 0.35 0.00 0.40 -0.59 -5.04 117.98 114.86 2qcy s PHE 8 Ca 0.43 -0.42 -0.28 0.00 -0.60 0.00 0.00 56.93 56.07 2qcy s PHE 8 Cb -0.27 -1.70 -0.10 0.00 0.51 0.00 0.00 43.02 41.46 2qcy s PHE 8 CO 0.34 0.31 1.26 -1.25 0.70 0.00 0.00 175.22 176.57 2qcy s PRO 9 N -3.86 4.29 0.21 0.24 0.04 -1.26 -4.60 135.00 130.06 2qcy s PRO 9 Ca 0.38 2.09 0.24 0.00 0.04 0.00 0.00 61.00 63.75 2qcy s PRO 9 Cb -0.01 -2.98 0.37 0.00 0.04 0.00 0.00 34.50 31.92 2qcy s PRO 9 CO 0.23 -0.20 1.41 0.66 0.04 0.00 0.00 177.00 179.13 2qcy h SER 10 N 3.21 0.00 -3.16 6.66 4.64 -1.99 -3.48 113.55 119.44 2qcy h SER 10 Ca -0.49 -0.09 -0.34 0.00 -0.47 0.00 0.00 61.79 60.40 2qcy h SER 10 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2qcy h SER 10 CO 0.65 0.04 -0.43 0.61 -0.87 0.00 0.00 176.83 176.83 2qcy n GLY 11 N 1.26 -0.29 2.50 -0.77 0.00 -1.26 -0.51 105.19 106.11 2qcy n GLY 11 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2qcy n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qcy n LYS 12 N -2.85 -1.05 0.25 1.61 4.01 -1.26 -4.87 118.16 114.00 2qcy n LYS 12 Ca -0.20 0.53 0.11 0.00 -0.51 0.00 0.00 58.31 58.25 2qcy n LYS 12 Cb 0.65 -4.46 0.68 0.00 -0.51 0.00 0.00 35.03 31.38 2qcy n LYS 12 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qcy h VAL 13 N 0.00 0.64 -0.18 -0.18 2.07 -1.19 -2.45 116.25 114.95 2qcy h VAL 13 Ca -0.09 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2qcy h VAL 13 Cb 0.67 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2qcy h VAL 13 CO 0.14 0.14 0.12 1.05 0.02 0.00 0.00 177.57 179.04 2qcy h GLU 14 N 0.00 0.23 0.00 1.57 9.09 -1.90 0.14 114.58 123.71 2qcy h GLU 14 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2qcy h GLU 14 Cb 0.38 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 2qcy h GLU 14 CO 0.02 0.15 0.00 0.41 0.05 0.00 0.00 179.01 179.64 2qcy n GLY 15 N -1.51 -1.22 0.55 1.06 0.00 -0.92 -2.49 105.19 100.66 2qcy n GLY 15 Ca -0.00 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2qcy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qcy s MET 17 N -2.34 4.48 0.36 0.00 -1.94 -1.04 0.02 119.30 118.85 2qcy s MET 17 Ca 0.23 1.06 0.05 0.00 -1.71 0.00 0.00 55.69 55.33 2qcy s MET 17 Cb 0.19 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.56 2qcy s MET 17 CO 0.48 0.05 0.18 0.14 -0.01 0.00 0.00 175.02 175.86 2qcy s VAL 18 N 0.79 0.35 0.05 -6.03 -7.23 -0.56 -4.81 120.40 102.96 2qcy s VAL 18 Ca 0.42 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.67 2qcy s VAL 18 Cb -0.19 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2qcy s VAL 18 CO 0.22 0.00 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.69 2qcy s GLN 19 N -3.65 1.42 -0.07 4.82 -0.21 0.16 -0.39 119.66 121.73 2qcy s GLN 19 Ca 0.31 -1.00 0.03 0.00 0.02 0.00 0.00 55.36 54.73 2qcy s GLN 19 Cb 0.03 -1.57 0.00 0.00 1.00 0.00 0.00 33.01 32.47 2qcy s GLN 19 CO 0.19 0.40 -0.18 0.08 -2.12 0.00 0.00 175.29 173.66 2qcy s VAL 20 N -0.85 1.59 -0.04 1.09 1.01 0.13 -0.52 120.40 122.82 2qcy s VAL 20 Ca 0.08 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2qcy s VAL 20 Cb -0.09 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2qcy s VAL 20 CO 0.02 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.47 2qcy s THR 21 N 0.39 1.80 -0.04 3.92 2.01 0.42 -1.67 115.64 122.47 2qcy s THR 21 Ca -0.14 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 2qcy s THR 21 Cb -0.16 -1.52 0.03 0.00 0.01 0.00 0.00 72.50 70.86 2qcy s THR 21 CO 0.06 0.51 0.07 0.00 -0.69 0.00 0.00 174.62 174.57 2qcy n GLY 23 N 4.48 3.92 0.74 0.00 0.00 -1.26 -1.32 105.19 111.75 2qcy n GLY 23 Ca -0.21 0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.89 2qcy n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qcy n THR 24 N 0.00 1.45 -4.30 2.61 -2.24 -1.26 -4.98 114.28 105.56 2qcy n THR 24 Ca 0.00 -1.30 -0.34 0.00 -2.27 0.00 0.00 64.05 60.14 2qcy n THR 24 Cb 0.00 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.36 2qcy n THR 24 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qcy s THR 25 N -1.63 4.21 -0.07 4.28 2.01 -0.43 -5.10 115.64 118.91 2qcy s THR 25 Ca 0.30 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.07 2qcy s THR 25 Cb 0.20 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.88 2qcy s THR 25 CO 0.14 0.51 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.57 2qcy s THR 26 N 0.08 1.14 0.28 -0.82 2.01 -1.26 -1.43 115.64 115.63 2qcy s THR 26 Ca 0.02 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2qcy s THR 26 Cb -0.13 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 2qcy s THR 26 CO 0.02 0.36 0.23 -1.48 -0.69 0.00 0.00 174.62 173.06 2qcy s LEU 27 N 0.82 1.45 0.47 4.42 0.05 -0.67 -4.97 118.68 120.26 2qcy s LEU 27 Ca -0.11 -1.58 -0.12 0.00 0.05 0.00 0.00 54.13 52.36 2qcy s LEU 27 Cb -0.15 0.55 -0.06 0.00 -2.05 0.00 0.00 46.19 44.48 2qcy s LEU 27 CO 0.02 -0.99 0.86 0.20 -0.55 0.00 0.00 176.35 175.90 2qcy s ASN 28 N -3.27 6.49 0.19 1.48 0.01 -0.30 -0.69 114.94 118.83 2qcy s ASN 28 Ca 0.39 1.27 -0.05 0.00 -0.71 0.00 0.00 52.86 53.76 2qcy s ASN 28 Cb 0.04 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 2qcy s ASN 28 CO 0.21 -0.53 0.22 -0.83 -1.51 0.00 0.00 177.10 174.66 2qcy s GLY 29 N -3.36 0.94 -0.17 0.66 0.00 0.48 -4.42 107.32 101.45 2qcy s GLY 29 Ca 0.53 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 2qcy s GLY 29 CO 0.35 -1.10 -0.11 -2.27 0.00 0.00 0.00 173.10 169.97 2qcy s LEU 30 N -3.06 2.69 -0.30 0.66 2.96 0.09 -1.50 118.68 120.22 2qcy s LEU 30 Ca 0.27 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2qcy s LEU 30 Cb 0.05 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 45.12 2qcy s LEU 30 CO 0.06 0.08 0.07 0.86 -1.32 0.00 0.00 176.35 176.11 2qcy s TRP 31 N 0.86 3.16 -0.07 5.38 -0.00 0.10 -0.91 118.94 127.45 2qcy s TRP 31 Ca -0.03 -1.08 0.01 0.00 -0.00 0.00 0.00 56.10 55.00 2qcy s TRP 31 Cb -0.15 -2.24 0.02 0.00 -0.00 0.00 0.00 33.47 31.09 2qcy s TRP 31 CO 0.00 -0.61 -0.09 -0.51 -0.00 0.00 0.00 176.95 175.74 2qcy s LEU 32 N 1.47 1.44 0.00 5.86 1.43 -0.53 -4.64 118.68 123.71 2qcy s LEU 32 Ca 0.02 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2qcy s LEU 32 Cb -0.17 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2qcy s LEU 32 CO 0.02 -0.03 0.00 0.47 0.23 0.00 0.00 176.35 177.04 2qcy n ASP 33 N 4.17 0.00 -1.76 2.29 8.00 -1.26 -1.37 116.55 126.62 2qcy n ASP 33 Ca -0.20 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.13 2qcy n ASP 33 Cb 0.51 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.77 2qcy n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qcy n ASP 34 N 3.75 3.84 -4.26 -2.24 3.85 -1.26 -0.78 116.55 119.44 2qcy n ASP 34 Ca 0.00 -3.73 -0.27 0.00 -0.71 0.00 0.00 54.79 50.07 2qcy n ASP 34 Cb 0.00 -0.73 -0.15 0.00 -1.35 0.00 0.00 41.12 38.89 2qcy n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2qcy s THR 35 N -3.61 1.77 -0.07 2.12 2.01 -0.47 -1.21 115.64 116.18 2qcy s THR 35 Ca 0.52 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2qcy s THR 35 Cb 0.45 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 71.46 2qcy s THR 35 CO 0.04 0.35 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.44 2qcy s VAL 36 N -0.68 1.62 -0.07 3.82 1.01 0.93 -1.45 120.40 125.58 2qcy s VAL 36 Ca 0.09 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2qcy s VAL 36 Cb -0.09 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2qcy s VAL 36 CO 0.01 0.46 -0.11 -0.31 0.00 0.00 0.00 175.10 175.15 2qcy s TYR 37 N 0.36 2.82 0.22 5.22 2.02 -0.09 -0.02 117.35 127.88 2qcy s TYR 37 Ca -0.14 -0.17 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 2qcy s TYR 37 Cb -0.16 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2qcy s TYR 37 CO 0.06 0.17 0.58 0.00 -1.57 0.00 0.00 175.55 174.79 2qcy s PRO 39 N -3.88 4.15 0.41 0.00 0.02 -1.26 -0.34 135.00 134.09 2qcy s PRO 39 Ca 0.10 2.53 0.29 0.00 0.02 0.00 0.00 61.00 63.94 2qcy s PRO 39 Cb -0.02 -3.06 1.33 0.00 0.02 0.00 0.00 34.50 32.76 2qcy s PRO 39 CO -0.01 -0.64 1.87 0.07 -0.33 0.00 0.00 177.00 177.96 2qcy h ARG 40 N 5.71 0.00 0.00 5.54 0.11 -1.62 -2.76 114.38 121.36 2qcy h ARG 40 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2qcy h ARG 40 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2qcy h ARG 40 CO 0.86 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.54 2qcy n HIS 41 N -2.60 0.00 0.28 4.08 1.44 -1.26 -1.95 115.22 115.21 2qcy n HIS 41 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.86 2qcy n HIS 41 Cb 0.19 -0.11 0.82 0.00 0.12 0.00 0.00 29.99 31.02 2qcy n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2qcy h VAL 42 N 0.00 0.51 0.00 0.61 3.04 -1.88 -1.86 116.25 116.67 2qcy h VAL 42 Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2qcy h VAL 42 Cb 0.05 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2qcy h VAL 42 CO 0.00 0.07 -0.07 2.30 -1.01 0.00 0.00 177.57 178.85 2qcy n ILE 43 N -3.68 0.02 -3.03 3.17 -5.35 -0.82 -4.45 119.36 105.23 2qcy n ILE 43 Ca -0.02 -0.01 -0.38 0.00 -0.27 0.00 0.00 62.75 62.06 2qcy n ILE 43 Cb 0.17 -0.40 -0.06 0.00 -1.74 0.00 0.00 39.64 37.61 2qcy n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qcy s THR 45 N -1.26 3.03 0.24 0.00 -1.32 -1.26 -4.89 115.64 110.18 2qcy s THR 45 Ca 0.37 -0.25 -0.05 0.00 -1.21 0.00 0.00 61.69 60.55 2qcy s THR 45 Cb -0.21 -3.22 0.20 0.00 -1.51 0.00 0.00 72.50 67.76 2qcy s THR 45 CO 0.24 -0.21 1.74 0.00 -2.21 0.00 0.00 174.62 174.18 2qcy h ALA 46 N -0.23 1.02 -0.62 11.08 0.00 -1.99 -1.21 119.26 127.31 2qcy h ALA 46 Ca -0.45 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2qcy h ALA 46 Cb 1.28 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2qcy h ALA 46 CO 0.59 -0.17 0.03 0.93 0.00 0.00 0.00 179.25 180.63 2qcy h GLU 47 N 0.48 1.06 -0.69 0.00 5.08 -2.04 -3.01 114.58 115.47 2qcy h GLU 47 Ca 0.39 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2qcy h GLU 47 Cb 0.55 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2qcy h GLU 47 CO -0.36 1.02 0.45 -0.44 -1.00 0.00 0.00 179.01 178.68 2qcy h ASP 48 N 0.98 0.77 -0.20 1.42 3.32 -1.59 -2.73 116.42 118.38 2qcy h ASP 48 Ca 0.18 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.27 2qcy h ASP 48 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2qcy h ASP 48 CO 0.02 0.55 0.25 0.24 -1.72 0.00 0.00 179.24 178.58 2qcy h MET 49 N 0.90 0.00 -0.15 3.56 2.86 -1.30 -1.48 114.93 119.31 2qcy h MET 49 Ca 0.26 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.85 2qcy h MET 49 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2qcy h MET 49 CO -0.06 0.00 -0.11 -0.07 1.06 0.00 0.00 176.91 177.72 2qcy h LEU 50 N 0.00 0.22 -5.00 1.22 3.38 -1.63 0.19 115.31 113.68 2qcy h LEU 50 Ca 0.09 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2qcy h LEU 50 Cb 0.60 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 2qcy h LEU 50 CO -0.00 0.36 -0.30 -3.20 0.09 0.00 0.00 178.44 175.39 2qcy n ASN 51 N -4.29 -2.24 -4.72 -0.43 4.05 -0.90 -4.67 115.26 102.05 2qcy n ASN 51 Ca -0.01 -2.62 -0.41 0.00 0.45 0.00 0.00 54.58 51.99 2qcy n ASN 51 Cb 0.25 1.35 -0.04 0.00 1.23 0.00 0.00 39.78 42.58 2qcy n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2qcy s PRO 52 N 0.48 4.65 -0.66 1.20 0.04 -0.61 -5.00 135.00 135.10 2qcy s PRO 52 Ca 0.29 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 2qcy s PRO 52 Cb 0.21 -3.40 0.17 0.00 0.04 0.00 0.00 34.50 31.53 2qcy s PRO 52 CO -0.17 0.13 0.55 1.21 0.04 0.00 0.00 177.00 178.76 2qcy s ASN 53 N 0.28 5.98 0.30 6.66 3.84 -1.26 -4.95 114.94 125.79 2qcy s ASN 53 Ca 0.49 -2.52 0.01 0.00 0.21 0.00 0.00 52.86 51.05 2qcy s ASN 53 Cb -0.23 -2.05 0.55 0.00 -0.55 0.00 0.00 41.25 38.98 2qcy s ASN 53 CO 0.30 -0.55 1.91 1.88 -2.79 0.00 0.00 177.10 177.84 2qcy h TYR 54 N 7.74 1.03 -0.22 0.43 -1.99 -1.98 -0.52 116.97 121.46 2qcy h TYR 54 Ca -0.03 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2qcy h TYR 54 Cb 1.02 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 2qcy h TYR 54 CO 0.82 0.52 0.13 0.93 -0.00 0.00 0.00 178.16 180.57 2qcy h GLU 55 N 1.00 0.30 -0.50 4.88 3.07 -2.00 -0.48 114.58 120.85 2qcy h GLU 55 Ca 0.40 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.14 2qcy h GLU 55 Cb 0.25 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2qcy h GLU 55 CO -0.16 0.24 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.22 2qcy h ASP 56 N 0.27 0.85 -0.36 1.42 5.19 -1.86 -2.68 116.42 119.25 2qcy h ASP 56 Ca 0.08 -0.24 -0.12 0.00 -0.62 0.00 0.00 57.03 56.13 2qcy h ASP 56 Cb 0.02 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 2qcy h ASP 56 CO -0.01 0.94 -0.21 -0.07 -3.12 0.00 0.00 179.24 176.76 2qcy h LEU 57 N 0.80 0.87 -0.92 1.55 3.38 -0.87 -3.16 115.31 116.96 2qcy h LEU 57 Ca 0.14 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2qcy h LEU 57 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2qcy h LEU 57 CO 0.03 1.06 -0.40 0.25 0.09 0.00 0.00 178.44 179.47 2qcy h LEU 58 N 0.74 0.30 -0.09 1.67 5.85 -0.94 -2.46 115.31 120.38 2qcy h LEU 58 Ca 0.10 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2qcy h LEU 58 Cb 0.75 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2qcy h LEU 58 CO 0.06 0.67 0.00 2.30 -0.34 0.00 0.00 178.44 181.13 2qcy n ILE 59 N -4.03 1.24 0.88 4.05 -5.35 -1.02 -0.80 119.36 114.33 2qcy n ILE 59 Ca -0.01 0.33 0.10 0.00 -0.27 0.00 0.00 62.75 62.89 2qcy n ILE 59 Cb 0.48 -1.16 0.30 0.00 -1.74 0.00 0.00 39.64 37.51 2qcy n ILE 59 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qcy n ARG 60 N -1.57 1.98 -4.46 6.28 1.74 -0.93 -4.90 116.66 114.81 2qcy n ARG 60 Ca 0.02 -1.49 -0.25 0.00 -0.77 0.00 0.00 57.85 55.37 2qcy n ARG 60 Cb 0.13 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 2qcy n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2qcy s LYS 61 N -1.64 1.66 0.42 5.56 -0.14 0.02 -5.10 119.74 120.53 2qcy s LYS 61 Ca 0.33 -1.71 0.04 0.00 -1.36 0.00 0.00 55.97 53.28 2qcy s LYS 61 Cb 0.18 -1.80 -0.02 0.00 -1.68 0.00 0.00 37.83 34.52 2qcy s LYS 61 CO 0.26 0.35 0.15 -1.54 -0.76 0.00 0.00 175.35 173.81 2qcy s SER 62 N -3.33 2.87 0.38 2.83 1.04 -1.26 -5.00 113.70 111.22 2qcy s SER 62 Ca 0.28 -1.74 0.05 0.00 0.48 0.00 0.00 55.95 55.02 2qcy s SER 62 Cb -0.06 0.61 0.74 0.00 0.10 0.00 0.00 66.02 67.41 2qcy s SER 62 CO 0.14 -1.00 2.02 0.78 0.98 0.00 0.00 173.24 176.16 2qcy h ASN 63 N 1.73 0.57 0.77 7.02 2.35 -1.95 -1.37 115.58 124.70 2qcy h ASN 63 Ca -0.34 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2qcy h ASN 63 Cb 1.28 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2qcy h ASN 63 CO 0.53 0.44 0.00 1.57 -1.65 0.00 0.00 177.43 178.32 2qcy n HIS 64 N -4.44 0.45 0.36 1.19 -0.00 -1.26 -2.33 115.22 109.20 2qcy n HIS 64 Ca 0.04 0.17 0.13 0.00 0.46 0.00 0.00 57.72 58.52 2qcy n HIS 64 Cb 0.07 -0.77 0.55 0.00 -0.12 0.00 0.00 29.99 29.73 2qcy n HIS 64 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2qcy h SER 65 N 0.00 0.00 -3.34 0.26 0.02 -1.63 -3.43 113.55 105.43 2qcy h SER 65 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2qcy h SER 65 Cb 0.38 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.69 2qcy h SER 65 CO 0.00 0.00 -0.70 -0.36 -1.14 0.00 0.00 176.83 174.63 2qcy s PHE 66 N -3.42 2.97 -0.25 3.45 0.08 -0.98 -4.36 117.98 115.47 2qcy s PHE 66 Ca 0.03 -0.49 -0.05 0.00 0.12 0.00 0.00 56.93 56.54 2qcy s PHE 66 Cb 0.09 -1.97 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 2qcy s PHE 66 CO 0.42 -0.18 0.01 -1.17 -0.10 0.00 0.00 175.22 174.21 2qcy s LEU 67 N 0.60 3.29 -0.19 -0.37 2.96 -0.36 -4.64 118.68 119.99 2qcy s LEU 67 Ca -0.04 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 2qcy s LEU 67 Cb -0.15 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2qcy s LEU 67 CO 0.03 -0.08 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.25 2qcy s VAL 68 N 1.49 3.72 -0.06 1.68 1.01 -1.26 -0.44 120.40 126.54 2qcy s VAL 68 Ca 0.04 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2qcy s VAL 68 Cb -0.15 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2qcy s VAL 68 CO -0.01 0.45 -0.23 -1.10 0.00 0.00 0.00 175.10 174.21 2qcy s GLN 69 N 0.90 2.49 -0.63 2.72 -0.21 0.33 -0.90 119.66 124.37 2qcy s GLN 69 Ca -0.00 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.57 2qcy s GLN 69 Cb -0.14 -2.07 0.15 0.00 1.00 0.00 0.00 33.01 31.95 2qcy s GLN 69 CO 0.01 0.31 0.40 0.00 -2.12 0.00 0.00 175.29 173.90 2qcy s ALA 70 N -0.02 3.60 0.00 6.09 0.00 0.34 -0.67 121.76 131.10 2qcy s ALA 70 Ca -0.07 -3.54 0.00 0.00 0.00 0.00 0.00 51.96 48.36 2qcy s ALA 70 Cb -0.14 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2qcy s ALA 70 CO 0.04 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.15 2qcy n GLY 71 N 2.64 2.05 0.81 0.00 0.00 -1.26 -2.23 105.19 107.21 2qcy n GLY 71 Ca 0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 2qcy n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qcy n ASN 72 N 2.81 2.02 -4.38 1.61 6.94 -1.26 -4.80 115.26 118.20 2qcy n ASN 72 Ca 0.00 -2.14 -0.32 0.00 -0.02 0.00 0.00 54.58 52.10 2qcy n ASN 72 Cb 0.00 -0.53 -0.15 0.00 -2.36 0.00 0.00 39.78 36.74 2qcy n ASN 72 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2qcy s VAL 73 N -0.98 2.61 -0.13 3.53 1.01 -0.94 -5.12 120.40 120.38 2qcy s VAL 73 Ca 0.07 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2qcy s VAL 73 Cb 0.05 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2qcy s VAL 73 CO 0.02 0.57 0.27 -1.58 0.00 0.00 0.00 175.10 174.38 2qcy s GLN 74 N -0.42 4.03 -0.37 2.72 0.74 -1.26 -0.51 119.66 124.59 2qcy s GLN 74 Ca 0.04 0.08 -0.06 0.00 0.05 0.00 0.00 55.36 55.48 2qcy s GLN 74 Cb -0.12 -3.34 0.07 0.00 1.10 0.00 0.00 33.01 30.72 2qcy s GLN 74 CO 0.02 0.43 0.16 -0.51 -0.55 0.00 0.00 175.29 174.83 2qcy s LEU 75 N -0.11 4.70 0.16 3.68 1.43 -0.07 -4.95 118.68 123.51 2qcy s LEU 75 Ca 0.17 -1.45 -0.31 0.00 -1.03 0.00 0.00 54.13 51.51 2qcy s LEU 75 Cb -0.13 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 2qcy s LEU 75 CO 0.05 -0.42 1.47 -0.60 0.23 0.00 0.00 176.35 177.08 2qcy s ARG 76 N 1.33 4.27 -0.08 1.70 3.52 -1.26 -4.05 118.95 124.38 2qcy s ARG 76 Ca 0.01 2.23 -0.27 0.00 -0.13 0.00 0.00 55.73 57.58 2qcy s ARG 76 Cb -0.21 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 2qcy s ARG 76 CO 0.01 -0.50 0.88 0.08 -0.81 0.00 0.00 175.30 174.95 2qcy s VAL 77 N 0.91 4.90 0.00 7.11 1.01 -1.26 -0.76 120.40 132.30 2qcy s VAL 77 Ca 0.66 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.43 2qcy s VAL 77 Cb -0.41 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.77 2qcy s VAL 77 CO 0.33 0.12 0.72 2.30 0.00 0.00 0.00 175.10 178.56 2qcy n ILE 78 N 4.21 0.44 -3.59 2.22 -5.35 0.28 -4.70 119.36 112.87 2qcy n ILE 78 Ca 0.04 -0.71 -0.09 0.00 -0.27 0.00 0.00 62.75 61.72 2qcy n ILE 78 Cb 0.50 0.79 -0.05 0.00 -1.74 0.00 0.00 39.64 39.14 2qcy n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2qcy s GLY 79 N -0.44 -0.21 -0.05 3.28 0.00 -1.15 -4.92 107.32 103.84 2qcy s GLY 79 Ca 0.00 2.19 -0.13 0.00 0.00 0.00 0.00 44.72 46.78 2qcy s GLY 79 CO 0.00 1.11 0.31 -2.38 0.00 0.00 0.00 173.10 172.13 2qcy s HIS 80 N -0.99 -0.23 0.26 1.90 -3.43 -1.26 -0.78 115.29 110.77 2qcy s HIS 80 Ca -0.00 0.44 -0.19 0.00 -0.80 0.00 0.00 55.06 54.51 2qcy s HIS 80 Cb -0.01 0.10 0.02 0.00 -1.43 0.00 0.00 32.58 31.26 2qcy s HIS 80 CO -0.00 -0.31 0.65 -1.54 -2.00 0.00 0.00 174.74 171.53 2qcy s SER 81 N -0.83 -0.25 -0.07 7.38 1.04 -0.60 -5.01 113.70 115.35 2qcy s SER 81 Ca -0.09 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.76 2qcy s SER 81 Cb -0.04 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 2qcy s SER 81 CO 0.03 -1.26 -0.18 -0.32 0.98 0.00 0.00 173.24 172.49 2qcy s MET 82 N -3.92 2.72 -0.29 4.02 1.75 -1.26 -0.87 119.30 121.45 2qcy s MET 82 Ca 0.12 -0.76 -0.00 0.00 -1.25 0.00 0.00 55.69 53.80 2qcy s MET 82 Cb -0.04 -2.36 0.09 0.00 2.84 0.00 0.00 34.83 35.35 2qcy s MET 82 CO 0.05 0.45 0.06 -1.14 -0.65 0.00 0.00 175.02 173.79 2qcy s GLN 83 N -0.30 0.97 6.63 4.11 0.74 0.23 -4.95 119.66 127.09 2qcy s GLN 83 Ca 0.02 -1.09 0.00 0.00 0.05 0.00 0.00 55.36 54.34 2qcy s GLN 83 Cb -0.13 -2.28 0.00 0.00 1.10 0.00 0.00 33.01 31.70 2qcy s GLN 83 CO 0.03 -0.87 0.00 0.09 -0.55 0.00 0.00 175.29 173.99 2qcy n ASN 84 N 4.76 0.00 -1.50 6.67 3.02 -1.26 -1.03 115.26 125.91 2qcy n ASN 84 Ca -0.04 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.58 2qcy n ASN 84 Cb 0.43 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.91 2qcy n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qcy s LEU 86 N -1.94 3.00 -0.15 0.00 1.43 -0.20 -1.80 118.68 119.02 2qcy s LEU 86 Ca 0.42 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 2qcy s LEU 86 Cb 0.30 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2qcy s LEU 86 CO 0.16 0.10 0.05 -0.22 0.23 0.00 0.00 176.35 176.66 2qcy s LEU 87 N -2.87 3.79 -0.19 1.79 0.20 0.53 -0.61 118.68 121.33 2qcy s LEU 87 Ca 0.25 0.12 -0.02 0.00 0.69 0.00 0.00 54.13 55.17 2qcy s LEU 87 Cb -0.09 -1.93 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 2qcy s LEU 87 CO 0.16 0.24 -0.09 -0.13 -0.29 0.00 0.00 176.35 176.24 2qcy s ARG 88 N -0.04 3.34 -0.08 1.98 0.52 -0.04 -1.94 118.95 122.68 2qcy s ARG 88 Ca 0.06 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 2qcy s ARG 88 Cb -0.12 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 2qcy s ARG 88 CO 0.01 -0.07 -0.21 -0.51 0.02 0.00 0.00 175.30 174.54 2qcy s LEU 89 N 1.10 2.26 -0.07 2.53 1.43 0.98 -1.56 118.68 125.34 2qcy s LEU 89 Ca 0.01 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 2qcy s LEU 89 Cb -0.15 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2qcy s LEU 89 CO -0.02 0.22 0.30 -0.54 0.23 0.00 0.00 176.35 176.54 2qcy s LYS 90 N -0.01 3.85 0.37 1.70 -0.14 0.04 -0.05 119.74 125.50 2qcy s LYS 90 Ca -0.07 0.18 0.09 0.00 -1.36 0.00 0.00 55.97 54.81 2qcy s LYS 90 Cb -0.15 -3.26 -0.07 0.00 -1.68 0.00 0.00 37.83 32.68 2qcy s LYS 90 CO 0.05 0.62 -0.05 0.14 -0.76 0.00 0.00 175.35 175.35 2qcy s VAL 91 N -0.72 2.21 -1.71 3.17 -7.23 -0.35 -0.55 120.40 115.21 2qcy s VAL 91 Ca 0.20 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2qcy s VAL 91 Cb -0.14 -2.78 0.04 0.00 0.56 0.00 0.00 36.38 34.06 2qcy s VAL 91 CO 0.08 -0.14 0.91 -0.90 -0.31 0.00 0.00 175.10 174.75 2qcy n ASP 92 N -0.87 0.54 -3.50 4.85 5.75 0.06 -4.80 116.55 118.57 2qcy n ASP 92 Ca -0.05 -2.02 -0.14 0.00 -0.01 0.00 0.00 54.79 52.57 2qcy n ASP 92 Cb 0.64 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 2qcy n ASP 92 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2qcy s THR 93 N -1.71 0.00 0.12 2.12 -1.32 -1.26 -5.01 115.64 108.58 2qcy s THR 93 Ca 0.03 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 2qcy s THR 93 Cb 0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.96 2qcy s THR 93 CO 0.02 0.00 0.34 -0.44 -2.21 0.00 0.00 174.62 172.33 2qcy s SER 94 N -1.69 6.47 -0.16 8.08 0.01 -1.26 -4.49 113.70 120.66 2qcy s SER 94 Ca -0.05 0.53 -0.29 0.00 1.31 0.00 0.00 55.95 57.45 2qcy s SER 94 Cb -0.00 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 2qcy s SER 94 CO 0.01 0.08 1.98 0.21 0.41 0.00 0.00 173.24 175.93 2qcy s ASN 95 N -2.43 5.96 0.16 2.44 3.84 0.04 -4.85 114.94 120.10 2qcy s ASN 95 Ca 0.39 1.97 0.17 0.00 0.21 0.00 0.00 52.86 55.61 2qcy s ASN 95 Cb -0.12 -2.52 0.75 0.00 -0.55 0.00 0.00 41.25 38.81 2qcy s ASN 95 CO 0.25 -1.54 1.51 -0.81 -2.79 0.00 0.00 177.10 173.72 2qcy n PRO 96 N 8.16 0.10 -2.41 0.43 -0.04 -1.26 -2.76 135.00 137.22 2qcy n PRO 96 Ca 0.24 0.44 -0.22 0.00 -0.04 0.00 0.00 63.50 63.92 2qcy n PRO 96 Cb 0.44 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2qcy n PRO 96 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2qcy n LYS 97 N -1.92 3.02 -2.38 0.54 0.00 -1.26 -5.04 118.16 111.13 2qcy n LYS 97 Ca 0.01 -4.16 -0.42 0.00 -0.00 0.00 0.00 58.31 53.74 2qcy n LYS 97 Cb 0.13 -2.06 -0.03 0.00 -0.00 0.00 0.00 35.03 33.07 2qcy n LYS 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2qcy s THR 98 N -4.81 4.08 0.74 0.58 2.01 -1.11 -4.83 115.64 112.29 2qcy s THR 98 Ca 0.44 1.41 -0.11 0.00 0.31 0.00 0.00 61.69 63.75 2qcy s THR 98 Cb 0.41 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 69.06 2qcy s THR 98 CO -0.08 -0.01 1.11 -2.16 -0.69 0.00 0.00 174.62 172.78 2qcy s PRO 99 N 2.38 2.35 0.18 4.92 0.04 -1.26 -4.99 135.00 138.63 2qcy s PRO 99 Ca 0.58 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 2qcy s PRO 99 Cb -0.27 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 2qcy s PRO 99 CO 0.23 -1.30 1.38 0.21 0.04 0.00 0.00 177.00 177.56 2qcy s LYS 100 N -5.41 4.33 0.21 4.56 2.20 -1.26 -4.94 119.74 119.43 2qcy s LYS 100 Ca 0.60 2.13 -0.12 0.00 -0.36 0.00 0.00 55.97 58.22 2qcy s LYS 100 Cb -0.11 -3.19 -0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2qcy s LYS 100 CO 0.49 -0.37 0.41 1.52 -0.36 0.00 0.00 175.35 177.04 2qcy s TYR 101 N 0.47 0.33 0.10 4.03 -0.85 -1.26 -1.02 117.35 119.15 2qcy s TYR 101 Ca 0.61 -0.68 -0.10 0.00 -0.52 0.00 0.00 57.07 56.37 2qcy s TYR 101 Cb -0.38 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.08 2qcy s TYR 101 CO 0.36 -0.88 0.24 -1.59 -1.52 0.00 0.00 175.55 172.15 2qcy s LYS 102 N -3.99 0.92 -0.16 -3.49 -2.85 -0.57 -4.92 119.74 104.69 2qcy s LYS 102 Ca 0.20 -0.94 -0.02 0.00 -1.00 0.00 0.00 55.97 54.20 2qcy s LYS 102 Cb 0.01 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2qcy s LYS 102 CO 0.05 -0.31 -0.08 -0.06 0.10 0.00 0.00 175.35 175.05 2qcy s PHE 103 N -3.86 2.92 0.10 1.78 2.99 -1.26 -0.87 117.98 119.77 2qcy s PHE 103 Ca 0.06 -0.59 0.02 0.00 0.00 0.00 0.00 56.93 56.42 2qcy s PHE 103 Cb 0.04 -1.95 -0.04 0.00 0.00 0.00 0.00 43.02 41.08 2qcy s PHE 103 CO -0.10 -0.23 -0.08 0.14 -0.00 0.00 0.00 175.22 174.95 2qcy s VAL 104 N 0.63 0.78 -0.18 -0.44 -7.23 -0.52 -4.96 120.40 108.48 2qcy s VAL 104 Ca -0.05 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 2qcy s VAL 104 Cb -0.15 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2qcy s VAL 104 CO 0.03 -0.74 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.43 2qcy s ARG 105 N -3.37 3.54 0.57 4.82 3.52 -1.26 -4.20 118.95 122.57 2qcy s ARG 105 Ca 0.09 -0.58 0.09 0.00 -0.13 0.00 0.00 55.73 55.20 2qcy s ARG 105 Cb 0.02 -2.92 0.08 0.00 -1.56 0.00 0.00 34.95 30.57 2qcy s ARG 105 CO -0.03 0.08 0.79 -1.50 -0.81 0.00 0.00 175.30 173.83 2qcy s ILE 106 N 0.77 2.19 0.25 4.11 1.10 -1.26 -5.14 121.20 123.22 2qcy s ILE 106 Ca -0.02 -0.99 0.03 0.00 -0.51 0.00 0.00 60.65 59.16 2qcy s ILE 106 Cb -0.15 -2.21 -0.05 0.00 0.15 0.00 0.00 42.46 40.20 2qcy s ILE 106 CO 0.02 0.00 0.04 0.00 -2.11 0.00 0.00 174.94 172.89 2qcy s GLN 107 N -4.67 1.39 0.38 3.50 -2.07 -1.26 -5.10 119.66 111.83 2qcy s GLN 107 Ca 0.62 -1.73 -0.26 0.00 -1.82 0.00 0.00 55.36 52.17 2qcy s GLN 107 Cb -0.06 -0.50 -0.11 0.00 -1.09 0.00 0.00 33.01 31.25 2qcy s GLN 107 CO 0.39 -0.18 1.10 -2.30 -1.32 0.00 0.00 175.29 172.98 2qcy n PRO 108 N -0.46 1.59 0.00 9.60 -0.02 -1.26 -2.35 135.00 142.10 2qcy n PRO 108 Ca -0.03 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2qcy n PRO 108 Cb 0.65 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2qcy n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qcy n GLY 109 N 1.05 3.01 3.75 -1.23 0.00 -0.69 -4.99 105.19 106.10 2qcy n GLY 109 Ca 0.08 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2qcy n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qcy s GLN 110 N 0.00 4.69 0.28 1.61 -0.21 -0.99 -4.86 119.66 120.18 2qcy s GLN 110 Ca 0.00 1.71 0.01 0.00 0.02 0.00 0.00 55.36 57.09 2qcy s GLN 110 Cb 0.00 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 2qcy s GLN 110 CO 0.00 0.26 0.47 0.95 -2.12 0.00 0.00 175.29 174.85 2qcy s THR 111 N -0.97 5.16 0.16 -0.19 -4.23 -1.26 -3.57 115.64 110.74 2qcy s THR 111 Ca 0.45 -0.50 -0.21 0.00 -1.18 0.00 0.00 61.69 60.24 2qcy s THR 111 Cb -0.30 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 69.78 2qcy s THR 111 CO 0.38 -0.39 0.56 0.72 -0.54 0.00 0.00 174.62 175.35 2qcy s PHE 112 N -2.11 -0.44 0.01 3.99 -0.12 -0.47 -4.94 117.98 113.90 2qcy s PHE 112 Ca 0.39 0.19 -0.06 0.00 -0.05 0.00 0.00 56.93 57.39 2qcy s PHE 112 Cb -0.10 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 2qcy s PHE 112 CO 0.32 -0.84 0.27 -1.12 -0.05 0.00 0.00 175.22 173.80 2qcy s SER 113 N -2.77 6.49 -0.07 1.98 0.01 0.69 -0.63 113.70 119.39 2qcy s SER 113 Ca 0.02 0.55 0.04 0.00 1.31 0.00 0.00 55.95 57.87 2qcy s SER 113 Cb -0.01 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2qcy s SER 113 CO -0.12 0.25 -0.20 -0.69 0.41 0.00 0.00 173.24 172.89 2qcy s VAL 114 N -1.31 1.71 -0.57 3.43 1.01 0.36 -0.10 120.40 124.94 2qcy s VAL 114 Ca 0.28 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 2qcy s VAL 114 Cb -0.13 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 34.84 2qcy s VAL 114 CO 0.16 0.48 0.76 -0.22 0.00 0.00 0.00 175.10 176.28 2qcy s LEU 115 N 0.30 4.92 0.47 3.92 2.96 -1.02 -1.35 118.68 128.88 2qcy s LEU 115 Ca -0.13 -1.07 -0.22 0.00 -0.22 0.00 0.00 54.13 52.49 2qcy s LEU 115 Cb -0.16 -2.42 -0.07 0.00 0.50 0.00 0.00 46.19 44.04 2qcy s LEU 115 CO 0.06 -1.12 1.14 0.00 -1.32 0.00 0.00 176.35 175.10 2qcy s ALA 116 N 3.08 2.92 -0.03 5.97 0.00 0.40 -4.38 121.76 129.71 2qcy s ALA 116 Ca 0.17 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.02 2qcy s ALA 116 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2qcy s ALA 116 CO 0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 175.76 175.14 2qcy s TYR 118 N 0.26 2.88 -1.52 0.00 5.04 0.02 -4.55 117.35 119.49 2qcy s TYR 118 Ca -0.05 -1.12 -0.13 0.00 -2.44 0.00 0.00 57.07 53.33 2qcy s TYR 118 Cb -0.10 -2.02 0.08 0.00 0.35 0.00 0.00 41.96 40.28 2qcy s TYR 118 CO 0.01 -0.59 0.91 0.09 -1.34 0.00 0.00 175.55 174.63 2qcy n ASN 119 N 4.58 -4.76 0.00 4.32 3.02 -1.26 -1.36 115.26 119.80 2qcy n ASN 119 Ca -0.19 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2qcy n ASN 119 Cb 0.51 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 2qcy n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qcy n GLY 120 N -1.62 1.93 3.56 7.41 0.00 -1.26 -5.01 105.19 110.20 2qcy n GLY 120 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2qcy n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qcy s SER 121 N -3.46 5.33 0.12 1.61 1.04 -0.46 -4.93 113.70 112.95 2qcy s SER 121 Ca 0.00 -0.03 -0.35 0.00 0.48 0.00 0.00 55.95 56.05 2qcy s SER 121 Cb 0.00 -1.91 -0.16 0.00 0.10 0.00 0.00 66.02 64.04 2qcy s SER 121 CO 0.00 0.13 1.27 -2.65 0.98 0.00 0.00 173.24 172.97 2qcy n PRO 122 N 3.81 1.15 -0.00 4.02 -0.02 -1.26 -0.80 135.00 141.89 2qcy n PRO 122 Ca -0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2qcy n PRO 122 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2qcy n PRO 122 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qcy n SER 123 N 2.33 1.34 0.00 2.55 3.41 0.15 -4.80 113.62 118.60 2qcy n SER 123 Ca 0.17 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 2qcy n SER 123 Cb 0.21 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2qcy n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qcy n GLY 124 N -0.34 4.37 3.23 5.00 0.00 -1.24 -4.94 105.19 111.28 2qcy n GLY 124 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 2qcy n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qcy s VAL 125 N -2.00 2.80 0.10 1.61 1.01 -1.26 -0.46 120.40 122.20 2qcy s VAL 125 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2qcy s VAL 125 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2qcy s VAL 125 CO 0.00 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.09 2qcy s TYR 126 N 1.40 1.53 0.19 5.22 2.02 -0.46 -1.54 117.35 125.71 2qcy s TYR 126 Ca 0.05 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.01 2qcy s TYR 126 Cb -0.14 -0.84 -0.08 0.00 -0.40 0.00 0.00 41.96 40.51 2qcy s TYR 126 CO -0.08 0.15 0.92 -0.65 -1.57 0.00 0.00 175.55 174.32 2qcy s GLN 127 N -1.96 4.77 0.13 -0.62 -1.52 -1.26 -0.49 119.66 118.71 2qcy s GLN 127 Ca 0.04 1.42 0.04 0.00 -1.95 0.00 0.00 55.36 54.91 2qcy s GLN 127 Cb -0.09 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 2qcy s GLN 127 CO 0.03 0.44 -0.10 0.00 -0.25 0.00 0.00 175.29 175.42 2qcy s ALA 129 N -3.10 0.23 0.11 0.00 0.00 -1.26 -1.37 121.76 116.37 2qcy s ALA 129 Ca 0.14 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2qcy s ALA 129 Cb 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 2qcy s ALA 129 CO 0.00 -0.13 1.17 1.41 0.00 0.00 0.00 175.76 178.21 2qcy s MET 130 N 1.15 4.49 0.76 0.00 1.75 -1.23 -4.58 119.30 121.64 2qcy s MET 130 Ca -0.08 1.77 -0.11 0.00 -1.25 0.00 0.00 55.69 56.02 2qcy s MET 130 Cb -0.13 -3.31 0.06 0.00 2.84 0.00 0.00 34.83 34.29 2qcy s MET 130 CO -0.02 -0.13 1.13 1.03 -0.65 0.00 0.00 175.02 176.37 2qcy s ARG 131 N 0.43 2.23 0.55 4.11 1.81 -0.23 -1.70 118.95 126.16 2qcy s ARG 131 Ca 0.55 0.13 0.23 0.00 -1.72 0.00 0.00 55.73 54.93 2qcy s ARG 131 Cb -0.30 -2.01 1.45 0.00 -0.45 0.00 0.00 34.95 33.64 2qcy s ARG 131 CO 0.32 -1.39 2.09 -1.35 -0.68 0.00 0.00 175.30 174.29 2qcy h PRO 132 N -0.87 0.00 -0.28 3.54 0.11 -1.94 0.19 132.00 132.75 2qcy h PRO 132 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qcy h PRO 132 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2qcy h PRO 132 CO 0.65 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 2qcy n ASN 133 N -4.24 1.12 -1.32 -2.05 0.23 -1.26 -4.89 115.26 102.85 2qcy n ASN 133 Ca 0.03 -2.03 -0.16 0.00 -0.53 0.00 0.00 54.58 51.89 2qcy n ASN 133 Cb 0.34 -0.18 -0.06 0.00 -2.08 0.00 0.00 39.78 37.80 2qcy n ASN 133 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2qcy n HIS 134 N 0.04 -0.13 -4.00 -2.53 8.25 0.66 -4.80 115.22 112.71 2qcy n HIS 134 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.29 2qcy n HIS 134 Cb 0.20 -2.85 -0.06 0.00 1.12 0.00 0.00 29.99 28.39 2qcy n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2qcy s THR 135 N -2.62 2.73 0.07 1.59 -4.23 -1.26 -4.72 115.64 107.21 2qcy s THR 135 Ca 0.00 -1.62 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 2qcy s THR 135 Cb 0.00 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 2qcy s THR 135 CO 0.00 -0.09 -0.15 0.27 -0.54 0.00 0.00 174.62 174.11 2qcy s ILE 136 N -2.49 1.19 -0.08 2.99 -4.36 -0.66 -1.06 121.20 116.73 2qcy s ILE 136 Ca 0.41 -1.33 -0.05 0.00 -0.26 0.00 0.00 60.65 59.42 2qcy s ILE 136 Cb -0.01 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.53 2qcy s ILE 136 CO 0.24 -0.19 0.13 -0.54 0.24 0.00 0.00 174.94 174.82 2qcy s LYS 137 N -1.74 3.37 0.00 0.37 1.02 -1.26 -0.79 119.74 120.71 2qcy s LYS 137 Ca -0.01 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2qcy s LYS 137 Cb -0.10 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2qcy s LYS 137 CO 0.02 0.74 0.00 0.41 -0.92 0.00 0.00 175.35 175.60 2qcy n GLY 138 N 1.66 -0.53 0.31 -3.33 0.00 -1.26 -4.84 105.19 97.21 2qcy n GLY 138 Ca -0.17 0.77 0.18 0.00 0.00 0.00 0.00 46.02 46.80 2qcy n GLY 138 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qcy h SER 139 N 0.00 0.00 0.73 1.61 4.64 -1.96 0.60 113.55 119.17 2qcy h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qcy h SER 139 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qcy h SER 139 CO 0.00 0.00 0.00 2.19 -0.87 0.00 0.00 176.83 178.15 2qcy h PHE 140 N 0.00 0.00 0.00 4.77 -0.00 -2.02 -1.37 116.94 118.32 2qcy h PHE 140 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2qcy h PHE 140 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.96 2qcy h PHE 140 CO 0.00 0.00 -0.10 -0.07 -0.00 0.00 0.00 178.31 178.14 2qcy h LEU 141 N 0.00 0.00-10.01 2.10 3.38 -1.27 -3.43 115.31 106.08 2qcy h LEU 141 Ca 0.00 -0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.38 2qcy h LEU 141 Cb 0.37 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.29 2qcy h LEU 141 CO 0.00 0.02 0.21 -3.20 0.09 0.00 0.00 178.44 175.56 2qcy n ASN 142 N -2.31 0.85 0.00 -0.43 5.15 -0.52 -2.48 115.26 115.53 2qcy n ASN 142 Ca 0.05 0.69 0.00 0.00 -0.60 0.00 0.00 54.58 54.72 2qcy n ASN 142 Cb 0.44 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 2qcy n ASN 142 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qcy n GLY 143 N 0.99 0.00 3.65 8.20 0.00 -1.26 -4.90 105.19 111.86 2qcy n GLY 143 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2qcy n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qcy s SER 144 N -1.57 4.04 -0.28 1.61 0.15 -1.03 -4.88 113.70 111.74 2qcy s SER 144 Ca 0.00 -1.24 -0.23 0.00 0.70 0.00 0.00 55.95 55.18 2qcy s SER 144 Cb 0.00 -0.43 0.10 0.00 -1.71 0.00 0.00 66.02 63.98 2qcy s SER 144 CO 0.00 -0.43 0.86 0.00 1.20 0.00 0.00 173.24 174.87 2qcy n GLY 146 N 2.83 0.75 3.75 0.00 0.00 -0.11 -1.15 105.19 111.25 2qcy n GLY 146 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2qcy n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qcy s SER 147 N -2.94 4.63 0.23 1.61 0.01 -1.26 -4.24 113.70 111.73 2qcy s SER 147 Ca 0.00 2.05 0.10 0.00 1.31 0.00 0.00 55.95 59.41 2qcy s SER 147 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2qcy s SER 147 CO 0.00 -1.96 -0.09 0.68 0.41 0.00 0.00 173.24 172.28 2qcy s VAL 148 N -2.40 3.10 0.09 3.43 -7.23 -1.26 -0.73 120.40 115.39 2qcy s VAL 148 Ca 0.67 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 59.02 2qcy s VAL 148 Cb -0.22 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2qcy s VAL 148 CO 0.46 -0.25 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.01 2qcy s GLY 149 N -3.23 1.69 0.18 2.32 0.00 0.43 -2.42 107.32 106.29 2qcy s GLY 149 Ca 0.28 -1.27 -0.24 0.00 0.00 0.00 0.00 44.72 43.48 2qcy s GLY 149 CO 0.16 -1.23 0.86 -0.11 0.00 0.00 0.00 173.10 172.78 2qcy s PHE 150 N -1.10 -0.19 0.06 1.90 -0.12 0.86 -1.13 117.98 118.27 2qcy s PHE 150 Ca 0.18 -0.15 0.05 0.00 -0.05 0.00 0.00 56.93 56.96 2qcy s PHE 150 Cb -0.11 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 2qcy s PHE 150 CO 0.10 -0.94 -0.13 -0.80 -0.05 0.00 0.00 175.22 173.39 2qcy s ASN 151 N -2.89 1.58 -0.13 1.98 0.01 -0.64 -0.23 114.94 114.63 2qcy s ASN 151 Ca 0.11 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 2qcy s ASN 151 Cb -0.03 -0.05 -0.00 0.00 0.41 0.00 0.00 41.25 41.58 2qcy s ASN 151 CO 0.02 -0.07 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.73 2qcy s ILE 152 N -1.22 2.58 -0.23 0.60 1.01 -1.26 -0.35 121.20 122.32 2qcy s ILE 152 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2qcy s ILE 152 Cb -0.10 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.38 2qcy s ILE 152 CO 0.02 0.53 -0.06 -1.81 0.00 0.00 0.00 174.94 173.63 2qcy s ASP 153 N 0.51 3.86 1.57 3.58 1.11 -0.41 -4.99 116.67 121.90 2qcy s ASP 153 Ca -0.11 -1.17 0.00 0.00 0.18 0.00 0.00 52.55 51.44 2qcy s ASP 153 Cb -0.16 -1.20 0.00 0.00 1.07 0.00 0.00 42.92 42.63 2qcy s ASP 153 CO 0.05 -0.23 0.00 -1.22 1.18 0.00 0.00 175.17 174.95 2qcy n TYR 154 N 4.66 0.00 -0.68 4.23 4.02 -1.26 -0.83 117.16 127.31 2qcy n TYR 154 Ca -0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.85 2qcy n TYR 154 Cb 0.44 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.08 2qcy n TYR 154 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2qcy n ASP 155 N 8.50 4.50 -4.27 7.72 5.75 -1.26 -4.94 116.55 132.54 2qcy n ASP 155 Ca 0.00 -2.56 -0.33 0.00 -0.01 0.00 0.00 54.79 51.89 2qcy n ASP 155 Cb 0.00 -0.54 -0.16 0.00 -1.03 0.00 0.00 41.12 39.39 2qcy n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qcy s VAL 157 N 0.58 5.06 -0.52 0.00 1.01 -0.19 -1.29 120.40 125.04 2qcy s VAL 157 Ca -0.10 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 2qcy s VAL 157 Cb -0.16 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.47 2qcy s VAL 157 CO 0.03 -0.02 0.46 -0.44 0.00 0.00 0.00 175.10 175.14 2qcy s SER 158 N 1.64 6.14 0.04 3.32 0.01 0.52 -1.51 113.70 123.86 2qcy s SER 158 Ca 0.20 -1.70 -0.30 0.00 1.31 0.00 0.00 55.95 55.45 2qcy s SER 158 Cb -0.16 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2qcy s SER 158 CO 0.11 -0.80 1.18 -0.36 0.41 0.00 0.00 173.24 173.78 2qcy s PHE 159 N 1.59 3.42 0.00 2.43 0.08 -0.05 -1.62 117.98 123.83 2qcy s PHE 159 Ca 0.03 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.41 2qcy s PHE 159 Cb -0.28 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 2qcy s PHE 159 CO 0.03 -1.17 0.13 0.00 -0.10 0.00 0.00 175.22 174.11 2qcy s TYR 161 N -0.23 -0.41 -0.04 0.00 5.04 -1.07 -4.38 117.35 116.25 2qcy s TYR 161 Ca 0.00 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 2qcy s TYR 161 Cb 0.00 0.20 0.03 0.00 0.35 0.00 0.00 41.96 42.54 2qcy s TYR 161 CO 0.00 -0.40 -0.01 1.41 -1.34 0.00 0.00 175.55 175.21 2qcy s MET 162 N -0.77 0.47 0.04 4.97 -2.45 0.12 -0.42 119.30 121.26 2qcy s MET 162 Ca -0.08 0.05 -0.30 0.00 -1.25 0.00 0.00 55.69 54.10 2qcy s MET 162 Cb -0.03 -0.66 -0.05 0.00 1.25 0.00 0.00 34.83 35.33 2qcy s MET 162 CO 0.04 -0.16 1.20 -1.58 1.05 0.00 0.00 175.02 175.57 2qcy s HIS 163 N 1.22 3.39 -0.11 4.11 2.46 0.09 -1.34 115.29 125.10 2qcy s HIS 163 Ca -0.07 1.29 0.01 0.00 0.47 0.00 0.00 55.06 56.76 2qcy s HIS 163 Cb -0.13 -3.42 -0.07 0.00 -0.13 0.00 0.00 32.58 28.82 2qcy s HIS 163 CO -0.02 -1.27 -0.09 0.72 -2.47 0.00 0.00 174.74 171.61 2qcy n HIS 164 N 4.19 0.00 -3.46 3.88 8.25 -0.58 -0.94 115.22 126.55 2qcy n HIS 164 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 2qcy n HIS 164 Cb 0.46 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 2qcy n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qcy s MET 165 N -2.22 1.07 -0.19 -0.41 0.23 -0.85 -4.82 119.30 112.10 2qcy s MET 165 Ca -0.15 -0.36 -0.09 0.00 -1.03 0.00 0.00 55.69 54.06 2qcy s MET 165 Cb 0.04 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.79 2qcy s MET 165 CO 0.26 -0.46 0.10 -2.00 -2.03 0.00 0.00 175.02 170.89 2qcy s GLU 166 N -3.35 4.08 0.43 3.16 2.12 -1.26 -0.81 118.70 123.07 2qcy s GLU 166 Ca 0.02 -0.28 -0.09 0.00 0.36 0.00 0.00 54.97 54.98 2qcy s GLU 166 Cb -0.01 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 2qcy s GLU 166 CO -0.10 0.27 0.77 -0.51 -0.54 0.00 0.00 175.26 175.15 2qcy s LEU 167 N 0.41 3.77 0.14 2.70 1.43 0.34 -4.95 118.68 122.54 2qcy s LEU 167 Ca 0.06 1.08 0.11 0.00 -1.03 0.00 0.00 54.13 54.34 2qcy s LEU 167 Cb -0.12 -3.98 0.57 0.00 0.03 0.00 0.00 46.19 42.70 2qcy s LEU 167 CO -0.01 -0.45 1.34 -0.81 0.23 0.00 0.00 176.35 176.66 2qcy n PRO 168 N -1.56 0.07 -0.09 1.29 -0.04 -1.26 -1.31 135.00 132.10 2qcy n PRO 168 Ca 0.02 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.07 2qcy n PRO 168 Cb 0.54 -1.71 0.25 0.00 -0.04 0.00 0.00 33.50 32.54 2qcy n PRO 168 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qcy n THR 169 N -1.85 0.23 -1.86 0.52 -2.24 -1.26 -4.90 114.28 102.92 2qcy n THR 169 Ca -0.00 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.46 2qcy n THR 169 Cb 0.04 0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 2qcy n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qcy n GLY 170 N 0.92 0.31 3.43 3.38 0.00 -0.43 -4.88 105.19 107.93 2qcy n GLY 170 Ca 0.11 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 2qcy n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qcy s VAL 171 N -2.25 1.79 0.07 1.61 -7.23 -1.25 -4.68 120.40 108.47 2qcy s VAL 171 Ca 0.00 -2.17 0.10 0.00 -1.81 0.00 0.00 61.98 58.10 2qcy s VAL 171 Cb 0.00 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2qcy s VAL 171 CO 0.00 -0.35 -0.26 -1.00 -0.31 0.00 0.00 175.10 173.18 2qcy s HIS 172 N -2.92 2.30 0.07 2.82 0.09 0.03 -0.50 115.29 117.18 2qcy s HIS 172 Ca 0.29 -0.40 0.08 0.00 -0.00 0.00 0.00 55.06 55.03 2qcy s HIS 172 Cb 0.02 -1.34 -0.03 0.00 -0.00 0.00 0.00 32.58 31.23 2qcy s HIS 172 CO 0.12 0.19 -0.21 0.00 -0.00 0.00 0.00 174.74 174.84 2qcy s ALA 173 N -0.89 2.54 0.15 -1.40 0.00 0.01 -1.66 121.76 120.51 2qcy s ALA 173 Ca 0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2qcy s ALA 173 Cb -0.10 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2qcy s ALA 173 CO 0.03 0.57 0.28 0.41 0.00 0.00 0.00 175.76 177.05 2qcy n GLY 174 N 1.31 1.82 3.65 0.00 0.00 -1.26 -1.53 105.19 109.18 2qcy n GLY 174 Ca -0.16 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 2qcy n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qcy s THR 175 N -2.64 1.30 0.37 2.61 -4.23 -0.45 -1.36 115.64 111.23 2qcy s THR 175 Ca 0.07 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.56 2qcy s THR 175 Cb -0.02 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.41 2qcy s THR 175 CO 0.05 0.00 0.51 -0.90 -0.54 0.00 0.00 174.62 173.74 2qcy n ASP 176 N -1.12 0.44 -0.16 3.99 5.68 -0.76 -0.70 116.55 123.92 2qcy n ASP 176 Ca -0.11 -1.43 0.03 0.00 -0.50 0.00 0.00 54.79 52.78 2qcy n ASP 176 Cb 0.67 -0.35 0.11 0.00 -1.14 0.00 0.00 41.12 40.41 2qcy n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qcy n LEU 177 N 0.00 0.47 -0.41 -2.12 7.99 -1.26 -1.85 117.00 119.81 2qcy n LEU 177 Ca 0.08 -0.23 0.10 0.00 -0.01 0.00 0.00 56.01 55.95 2qcy n LEU 177 Cb 0.27 -0.05 -0.02 0.00 -0.11 0.00 0.00 43.42 43.51 2qcy n LEU 177 CO 0.19 0.11 0.25 -0.62 -1.51 0.00 0.00 177.39 175.81 2qcy n GLU 178 N -0.28 1.19 -0.52 3.23 1.02 -1.26 -4.98 120.64 119.03 2qcy n GLU 178 Ca 0.05 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 2qcy n GLU 178 Cb 0.08 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 2qcy n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qcy n GLY 179 N 1.38 0.74 3.69 0.62 0.00 -0.77 -4.38 105.19 106.47 2qcy n GLY 179 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2qcy n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qcy s LYS 180 N -0.48 4.20 0.55 1.61 1.02 -1.26 -0.68 119.74 124.70 2qcy s LYS 180 Ca 0.00 0.18 -0.21 0.00 0.02 0.00 0.00 55.97 55.96 2qcy s LYS 180 Cb 0.00 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 2qcy s LYS 180 CO 0.00 0.05 1.29 -0.06 -0.92 0.00 0.00 175.35 175.71 2qcy s PHE 181 N 1.05 2.38 -0.11 3.18 0.40 -1.26 -1.83 117.98 121.79 2qcy s PHE 181 Ca 0.19 1.44 -0.22 0.00 -0.60 0.00 0.00 56.93 57.74 2qcy s PHE 181 Cb -0.14 -3.66 -0.03 0.00 0.51 0.00 0.00 43.02 39.69 2qcy s PHE 181 CO 0.07 -2.55 0.65 0.71 0.70 0.00 0.00 175.22 174.80 2qcy s TYR 182 N -1.40 3.51 0.00 0.36 2.02 -0.47 -4.88 117.35 116.49 2qcy s TYR 182 Ca 0.72 1.10 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 2qcy s TYR 182 Cb -0.36 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 2qcy s TYR 182 CO 0.42 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.84 2qcy n GLY 183 N 3.31 -2.16 0.35 0.71 0.00 -1.26 -4.38 105.19 101.75 2qcy n GLY 183 Ca -0.02 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.41 2qcy n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qcy n PRO 184 N -0.13 1.45 -1.87 1.61 -0.04 -1.26 -4.97 135.00 129.78 2qcy n PRO 184 Ca 0.00 -0.68 -0.33 0.00 -0.04 0.00 0.00 63.50 62.44 2qcy n PRO 184 Cb 0.00 -1.27 0.04 0.00 -0.04 0.00 0.00 33.50 32.22 2qcy n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2qcy s PHE 185 N -1.81 2.66 0.12 0.54 0.08 -1.26 -5.07 117.98 113.24 2qcy s PHE 185 Ca 0.24 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.87 2qcy s PHE 185 Cb 0.12 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 2qcy s PHE 185 CO 0.18 -1.62 -0.10 0.14 -0.10 0.00 0.00 175.22 173.72 2qcy s VAL 186 N -2.24 1.08 -1.11 -0.44 -7.23 -1.26 -4.82 120.40 104.38 2qcy s VAL 186 Ca 0.68 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.94 2qcy s VAL 186 Cb -0.21 -1.64 0.27 0.00 0.56 0.00 0.00 36.38 35.37 2qcy s VAL 186 CO 0.38 -0.66 1.78 -0.90 -0.31 0.00 0.00 175.10 175.40 2qcy n ASP 187 N 0.15 6.87 -3.75 4.85 5.75 -1.26 -4.88 116.55 124.28 2qcy n ASP 187 Ca -0.13 -3.46 -0.10 0.00 -0.01 0.00 0.00 54.79 51.10 2qcy n ASP 187 Cb 0.59 -1.26 -0.06 0.00 -1.03 0.00 0.00 41.12 39.36 2qcy n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qcy s ARG 188 N -2.87 0.94 -0.39 0.11 1.70 -1.26 -4.92 118.95 112.26 2qcy s ARG 188 Ca 0.38 -0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 54.54 2qcy s ARG 188 Cb 0.13 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.92 2qcy s ARG 188 CO -0.02 -0.34 1.30 -1.14 -1.08 0.00 0.00 175.30 174.02 2qcy s GLN 189 N -3.74 3.72 0.21 3.89 0.74 0.66 -4.95 119.66 120.19 2qcy s GLN 189 Ca 0.03 0.93 -0.23 0.00 0.05 0.00 0.00 55.36 56.15 2qcy s GLN 189 Cb 0.03 -3.94 0.04 0.00 1.10 0.00 0.00 33.01 30.24 2qcy s GLN 189 CO -0.11 -1.37 0.78 -0.08 -0.55 0.00 0.00 175.29 173.96 2qcy s THR 190 N 4.83 0.00 -0.73 -0.34 -1.32 -1.26 -4.71 115.64 112.11 2qcy s THR 190 Ca 0.56 -0.72 -0.24 0.00 -1.21 0.00 0.00 61.69 60.08 2qcy s THR 190 Cb -0.13 -1.81 0.05 0.00 -1.51 0.00 0.00 72.50 69.11 2qcy s THR 190 CO 0.29 0.00 1.14 0.00 -2.21 0.00 0.00 174.62 173.84 2qcy s ALA 191 N -3.67 2.94 -0.09 11.08 0.00 -1.26 -4.79 121.76 125.97 2qcy s ALA 191 Ca 0.10 -1.72 0.15 0.00 0.00 0.00 0.00 51.96 50.49 2qcy s ALA 191 Cb -0.04 -4.09 0.31 0.00 0.00 0.00 0.00 23.12 19.31 2qcy s ALA 191 CO 0.02 -3.07 1.15 0.00 0.00 0.00 0.00 175.76 173.86 2qcy n GLN 192 N 8.45 0.74 0.00 0.00 10.64 -1.26 -4.80 117.38 131.15 2qcy n GLN 192 Ca 0.03 -2.31 0.13 0.00 -1.83 0.00 0.00 57.00 53.02 2qcy n GLN 192 Cb 0.48 -0.89 0.29 0.00 -0.86 0.00 0.00 30.24 29.25 2qcy n GLN 192 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qcy n ALA 193 N -0.48 2.75 -1.66 2.61 0.00 -1.26 -4.95 120.51 117.52 2qcy n ALA 193 Ca 0.11 -0.55 -0.45 0.00 0.00 0.00 0.00 53.44 52.55 2qcy n ALA 193 Cb 0.82 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 2qcy n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qcy n ALA 194 N 0.40 0.80 -1.09 0.00 0.00 -1.26 -1.84 120.51 117.51 2qcy n ALA 194 Ca 0.15 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 2qcy n ALA 194 Cb 0.45 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 2qcy n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qcy n GLY 195 N 1.93 0.63 0.00 0.00 0.00 -1.26 -4.89 105.19 101.61 2qcy n GLY 195 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2qcy n GLY 195 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qcy n THR 196 N -2.85 0.33 0.03 2.61 -2.24 -0.77 -4.71 114.28 106.67 2qcy n THR 196 Ca -0.03 -0.64 0.07 0.00 -2.27 0.00 0.00 64.05 61.18 2qcy n THR 196 Cb 0.13 0.86 0.16 0.00 -2.10 0.00 0.00 70.33 69.38 2qcy n THR 196 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qcy n ASP 197 N -0.16 2.91 -4.71 3.42 5.75 -1.26 -4.87 116.55 117.62 2qcy n ASP 197 Ca 0.00 -1.88 -0.42 0.00 -0.01 0.00 0.00 54.79 52.48 2qcy n ASP 197 Cb 0.09 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 2qcy n ASP 197 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qcy s THR 198 N -1.07 3.75 0.15 2.12 2.01 -1.26 -4.96 115.64 116.37 2qcy s THR 198 Ca 0.26 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 63.19 2qcy s THR 198 Cb 0.15 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 2qcy s THR 198 CO 0.20 0.07 1.18 -0.89 -0.69 0.00 0.00 174.62 174.49 2qcy s THR 199 N 1.41 3.77 -0.89 -0.82 2.01 -0.62 -4.85 115.64 115.65 2qcy s THR 199 Ca 0.61 1.43 -0.25 0.00 0.31 0.00 0.00 61.69 63.79 2qcy s THR 199 Cb -0.32 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.31 2qcy s THR 199 CO 0.28 0.20 1.45 -0.63 -0.69 0.00 0.00 174.62 175.23 2qcy s ILE 200 N 0.23 3.78 0.23 1.82 1.01 -1.26 -1.21 121.20 125.80 2qcy s ILE 200 Ca 0.54 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 2qcy s ILE 200 Cb -0.31 -4.87 0.19 0.00 0.01 0.00 0.00 42.46 37.48 2qcy s ILE 200 CO 0.34 -1.78 1.74 0.74 0.00 0.00 0.00 174.94 175.98 2qcy h THR 201 N 6.57 0.72 -0.61 2.92 2.02 -1.93 -1.59 112.91 121.01 2qcy h THR 201 Ca -0.00 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2qcy h THR 201 Cb 1.03 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2qcy h THR 201 CO 1.35 0.08 0.41 0.25 0.37 0.00 0.00 175.52 177.98 2qcy h LEU 202 N 0.46 0.62 -0.13 2.58 5.85 -1.90 -0.26 115.31 122.54 2qcy h LEU 202 Ca 0.37 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.85 2qcy h LEU 202 Cb 0.51 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.40 2qcy h LEU 202 CO -0.35 0.43 -0.85 0.78 -0.34 0.00 0.00 178.44 178.11 2qcy h ASN 203 N 0.73 0.92 -0.37 1.25 4.21 -1.52 -1.62 115.58 119.17 2qcy h ASN 203 Ca 0.24 -0.64 -0.03 0.00 1.21 0.00 0.00 56.30 57.09 2qcy h ASN 203 Cb 0.07 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 2qcy h ASN 203 CO -0.07 1.44 0.13 0.58 -1.29 0.00 0.00 177.43 178.22 2qcy h VAL 204 N 0.50 1.20 -0.57 2.81 2.07 -0.68 -0.75 116.25 120.83 2qcy h VAL 204 Ca -0.07 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2qcy h VAL 204 Cb 1.48 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2qcy h VAL 204 CO 0.17 0.23 0.35 -0.07 0.02 0.00 0.00 177.57 178.27 2qcy h LEU 205 N 0.45 0.68 -0.63 2.57 3.38 -1.08 -0.67 115.31 120.00 2qcy h LEU 205 Ca 0.12 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2qcy h LEU 205 Cb 0.23 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2qcy h LEU 205 CO -0.01 0.53 0.35 0.00 0.09 0.00 0.00 178.44 179.40 2qcy h ALA 206 N 1.18 0.84 -0.23 1.53 0.00 -1.00 -1.23 119.26 120.35 2qcy h ALA 206 Ca 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2qcy h ALA 206 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qcy h ALA 206 CO -0.04 0.03 -0.20 2.35 0.00 0.00 0.00 179.25 181.38 2qcy h TRP 207 N 0.65 0.44 -0.27 0.00 7.01 -0.74 -0.31 115.95 122.73 2qcy h TRP 207 Ca 0.28 -0.08 -0.12 0.00 2.11 0.00 0.00 58.89 61.09 2qcy h TRP 207 Cb 0.16 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2qcy h TRP 207 CO -0.08 0.59 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.77 2qcy h LEU 208 N 0.37 0.59 -0.74 0.65 3.38 -0.31 0.12 115.31 119.36 2qcy h LEU 208 Ca 0.06 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 2qcy h LEU 208 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qcy h LEU 208 CO 0.04 0.87 -0.30 1.88 0.09 0.00 0.00 178.44 181.02 2qcy h TYR 209 N 0.49 0.71 -0.72 1.13 0.05 -0.62 -1.65 116.97 116.35 2qcy h TYR 209 Ca 0.06 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2qcy h TYR 209 Cb 0.79 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 2qcy h TYR 209 CO 0.03 0.85 0.39 0.00 -1.05 0.00 0.00 178.16 178.38 2qcy h ALA 210 N 1.14 0.93 -0.73 3.88 0.00 -0.44 -0.89 119.26 123.15 2qcy h ALA 210 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qcy h ALA 210 Cb 0.78 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2qcy h ALA 210 CO 0.06 0.44 0.26 0.00 0.00 0.00 0.00 179.25 180.02 2qcy h ALA 211 N 1.20 1.08 -0.45 0.00 0.00 -0.61 -1.34 119.26 119.14 2qcy h ALA 211 Ca 0.25 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2qcy h ALA 211 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2qcy h ALA 211 CO -0.04 0.64 -0.07 0.28 0.00 0.00 0.00 179.25 180.06 2qcy h VAL 212 N 1.07 1.27 -0.15 0.00 2.07 -0.82 0.85 116.25 120.54 2qcy h VAL 212 Ca 0.24 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2qcy h VAL 212 Cb 0.25 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2qcy h VAL 212 CO -0.01 0.40 -0.02 0.40 0.02 0.00 0.00 177.57 178.36 2qcy h ILE 213 N 0.69 1.11 0.00 4.57 2.04 -0.89 -1.11 117.51 123.92 2qcy h ILE 213 Ca 0.12 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2qcy h ILE 213 Cb 0.60 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2qcy h ILE 213 CO 0.04 0.15 -0.08 0.59 0.00 0.00 0.00 178.15 178.84 2qcy n ASN 214 N -4.39 0.52 0.00 1.72 4.13 -0.53 -4.94 115.26 111.77 2qcy n ASN 214 Ca -0.01 0.47 0.00 0.00 1.68 0.00 0.00 54.58 56.72 2qcy n ASN 214 Cb 0.18 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 2qcy n ASN 214 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qcy n GLY 215 N 1.39 1.37 3.77 7.41 0.00 -0.42 -5.07 105.19 113.63 2qcy n GLY 215 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2qcy n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qcy s ASP 216 N -2.00 6.28 0.00 1.61 1.01 0.20 -4.90 116.67 118.87 2qcy s ASP 216 Ca 0.00 2.46 0.00 0.00 0.71 0.00 0.00 52.55 55.72 2qcy s ASP 216 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2qcy s ASP 216 CO 0.00 -0.85 0.00 0.54 0.21 0.00 0.00 175.17 175.07 2qcy n ARG 217 N -0.12 3.32 -0.34 8.23 5.12 -1.26 -4.09 116.66 127.53 2qcy n ARG 217 Ca 0.05 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.17 2qcy n ARG 217 Cb 0.46 -0.39 0.43 0.00 -1.16 0.00 0.00 32.46 31.80 2qcy n ARG 217 CO 0.00 0.00 0.00 0.11 -1.93 0.00 0.00 177.63 175.81 2qcy h TRP 218 N 0.00 0.89 0.00 -1.55 5.08 -1.97 -1.35 115.95 117.04 2qcy h TRP 218 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 2qcy h TRP 218 Cb 0.00 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 25.91 2qcy h TRP 218 CO 0.00 0.06 0.00 1.97 -1.28 0.00 0.00 178.44 179.19 2qcy n PHE 219 N -4.79 0.00 -2.67 0.12 1.16 -1.26 -4.84 117.46 105.18 2qcy n PHE 219 Ca 0.26 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.48 2qcy n PHE 219 Cb 0.80 -0.36 -0.05 0.00 -1.61 0.00 0.00 39.48 38.25 2qcy n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2qcy s LEU 220 N -2.73 4.22 0.37 5.98 1.43 -0.51 -4.71 118.68 122.73 2qcy s LEU 220 Ca 0.22 1.93 0.05 0.00 -1.03 0.00 0.00 54.13 55.29 2qcy s LEU 220 Cb 0.19 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 2qcy s LEU 220 CO 0.46 -0.29 0.17 0.54 0.23 0.00 0.00 176.35 177.47 2qcy s ASN 221 N -1.62 2.28 -0.37 2.29 2.20 -1.26 -5.04 114.94 113.42 2qcy s ASN 221 Ca 0.54 -1.68 0.07 0.00 -0.94 0.00 0.00 52.86 50.86 2qcy s ASN 221 Cb -0.20 0.50 0.70 0.00 -2.00 0.00 0.00 41.25 40.25 2qcy s ASN 221 CO 0.25 -0.96 1.83 -2.11 -2.94 0.00 0.00 177.10 173.17 2qcy n ARG 222 N -0.78 3.07 -3.52 3.55 1.85 -1.26 -4.95 116.66 114.62 2qcy n ARG 222 Ca -0.01 -2.96 -0.21 0.00 -1.00 0.00 0.00 57.85 53.66 2qcy n ARG 222 Cb 0.64 -2.18 -0.01 0.00 -1.05 0.00 0.00 32.46 29.86 2qcy n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2qcy s PHE 223 N -3.03 2.34 0.34 2.89 2.99 -1.26 -5.15 117.98 117.10 2qcy s PHE 223 Ca 0.54 -0.58 -0.01 0.00 0.00 0.00 0.00 56.93 56.88 2qcy s PHE 223 Cb 0.44 -2.14 -0.00 0.00 0.00 0.00 0.00 43.02 41.32 2qcy s PHE 223 CO 0.12 -0.34 0.44 -0.08 -0.00 0.00 0.00 175.22 175.36 2qcy s THR 224 N -2.55 0.00 0.01 0.64 -1.32 -1.26 -4.71 115.64 106.45 2qcy s THR 224 Ca 0.47 -1.67 -0.25 0.00 -1.21 0.00 0.00 61.69 59.04 2qcy s THR 224 Cb -0.04 -2.61 0.06 0.00 -1.51 0.00 0.00 72.50 68.40 2qcy s THR 224 CO 0.28 0.00 0.56 0.28 -2.21 0.00 0.00 174.62 173.53 2qcy s THR 225 N -3.16 0.02 0.61 5.08 -1.32 -1.23 -4.85 115.64 110.79 2qcy s THR 225 Ca 0.32 -0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 60.54 2qcy s THR 225 Cb 0.00 -0.94 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 2qcy s THR 225 CO 0.21 -0.09 0.96 0.42 -2.21 0.00 0.00 174.62 173.91 2qcy s THR 226 N -1.88 4.12 0.18 5.08 -4.23 -1.26 -4.83 115.64 112.83 2qcy s THR 226 Ca -0.08 0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 60.68 2qcy s THR 226 Cb -0.01 -3.65 0.09 0.00 1.34 0.00 0.00 72.50 70.28 2qcy s THR 226 CO 0.03 -0.75 1.82 -0.07 -0.54 0.00 0.00 174.62 175.11 2qcy h LEU 227 N -0.26 0.72 -0.46 4.79 3.38 -1.98 -1.90 115.31 119.61 2qcy h LEU 227 Ca -0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2qcy h LEU 227 Cb 1.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2qcy h LEU 227 CO 0.62 0.56 0.22 -1.13 0.09 0.00 0.00 178.44 178.80 2qcy h ASN 228 N 0.82 0.60 -0.45 -0.43 -1.24 -1.95 0.45 115.58 113.38 2qcy h ASN 228 Ca 0.22 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 2qcy h ASN 228 Cb -0.03 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 2qcy h ASN 228 CO -0.04 0.57 0.13 0.44 -1.29 0.00 0.00 177.43 177.24 2qcy h ASP 229 N 0.60 0.71 -0.03 1.15 3.45 -1.92 -0.60 116.42 119.79 2qcy h ASP 229 Ca 0.16 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 2qcy h ASP 229 Cb 0.12 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2qcy h ASP 229 CO -0.02 0.70 -0.00 0.15 -1.57 0.00 0.00 179.24 178.50 2qcy h PHE 230 N 0.75 0.06 0.00 4.55 3.57 -0.97 -3.06 116.94 121.84 2qcy h PHE 230 Ca 0.17 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2qcy h PHE 230 Cb 0.26 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2qcy h PHE 230 CO 0.01 0.35 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.52 2qcy h ASN 231 N -0.25 0.00 -0.53 0.41 2.35 -0.45 0.42 115.58 117.53 2qcy h ASN 231 Ca 0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2qcy h ASN 231 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2qcy h ASN 231 CO 0.00 0.01 0.04 -0.07 -1.65 0.00 0.00 177.43 175.77 2qcy h LEU 232 N 0.00 0.88 -0.28 1.61 3.38 -1.03 -0.58 115.31 119.29 2qcy h LEU 232 Ca -0.00 -0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 2qcy h LEU 232 Cb 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2qcy h LEU 232 CO 0.00 0.94 -0.45 0.58 0.09 0.00 0.00 178.44 179.61 2qcy h VAL 233 N 0.78 1.29 0.01 1.22 2.07 -1.12 -2.69 116.25 117.81 2qcy h VAL 233 Ca 0.16 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2qcy h VAL 233 Cb 0.47 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2qcy h VAL 233 CO 0.02 0.53 -0.03 0.00 0.02 0.00 0.00 177.57 178.11 2qcy h ALA 234 N 0.68 -0.04 -0.84 1.67 0.00 -0.80 -2.22 119.26 117.70 2qcy h ALA 234 Ca 0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qcy h ALA 234 Cb 1.05 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2qcy h ALA 234 CO 0.10 -0.53 0.56 0.52 0.00 0.00 0.00 179.25 179.90 2qcy h MET 235 N -0.06 1.10 -0.65 0.00 2.07 -1.14 0.52 114.93 116.78 2qcy h MET 235 Ca 0.01 -0.07 0.01 0.00 -2.07 0.00 0.00 59.70 57.59 2qcy h MET 235 Cb 0.07 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.51 2qcy h MET 235 CO -0.02 0.73 0.43 0.87 1.07 0.00 0.00 176.91 179.99 2qcy h LYS 236 N 1.14 0.83 -0.58 1.72 1.79 -1.23 -1.48 116.57 118.75 2qcy h LYS 236 Ca 0.31 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2qcy h LYS 236 Cb -0.12 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.34 2qcy h LYS 236 CO -0.07 0.55 0.00 0.66 -1.08 0.00 0.00 179.45 179.51 2qcy n TYR 237 N -4.44 0.93 -3.49 -1.35 4.02 -0.75 -4.95 117.16 107.13 2qcy n TYR 237 Ca 0.07 -0.40 -0.18 0.00 -0.01 0.00 0.00 57.90 57.37 2qcy n TYR 237 Cb 0.06 -0.11 0.07 0.00 -0.02 0.00 0.00 39.34 39.34 2qcy n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qcy n ASN 238 N 0.90 -2.49 -4.59 7.72 5.15 -0.56 -4.87 115.26 116.51 2qcy n ASN 238 Ca 0.18 -0.70 -0.28 0.00 -0.60 0.00 0.00 54.58 53.18 2qcy n ASN 238 Cb 0.58 -4.77 -0.09 0.00 -0.53 0.00 0.00 39.78 34.97 2qcy n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2qcy s TYR 239 N -3.46 2.73 0.36 1.20 1.51 0.07 -1.58 117.35 118.18 2qcy s TYR 239 Ca 0.08 -0.17 -0.27 0.00 -1.01 0.00 0.00 57.07 55.69 2qcy s TYR 239 Cb -0.01 -1.38 -0.09 0.00 -0.11 0.00 0.00 41.96 40.36 2qcy s TYR 239 CO 0.76 0.47 1.25 -1.21 -1.11 0.00 0.00 175.55 175.71 2qcy s GLU 240 N -2.54 4.20 0.50 -0.62 0.41 -0.35 -4.04 118.70 116.26 2qcy s GLU 240 Ca 0.24 2.07 -0.21 0.00 -0.41 0.00 0.00 54.97 56.65 2qcy s GLU 240 Cb -0.10 -2.89 -0.06 0.00 -1.78 0.00 0.00 34.13 29.29 2qcy s GLU 240 CO 0.15 -0.27 1.17 -1.25 -0.49 0.00 0.00 175.26 174.57 2qcy s PRO 241 N -2.01 3.54 -0.03 0.39 0.04 -1.26 -4.53 135.00 131.14 2qcy s PRO 241 Ca 0.53 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 2qcy s PRO 241 Cb -0.36 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 2qcy s PRO 241 CO 0.47 -0.73 0.51 -1.17 0.04 0.00 0.00 177.00 176.12 2qcy s LEU 242 N -3.36 4.40 0.36 -3.56 2.96 -1.26 -5.00 118.68 113.22 2qcy s LEU 242 Ca 0.68 1.01 0.08 0.00 -0.22 0.00 0.00 54.13 55.68 2qcy s LEU 242 Cb -0.28 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 2qcy s LEU 242 CO 0.33 0.15 0.29 0.42 -1.32 0.00 0.00 176.35 176.22 2qcy s THR 243 N -0.27 3.22 0.39 3.68 -4.23 -1.26 -4.99 115.64 112.19 2qcy s THR 243 Ca 0.27 -1.42 0.14 0.00 -1.18 0.00 0.00 61.69 59.51 2qcy s THR 243 Cb -0.17 -3.11 0.13 0.00 1.34 0.00 0.00 72.50 70.69 2qcy s THR 243 CO 0.14 -0.13 1.88 -0.61 -0.54 0.00 0.00 174.62 175.37 2qcy h GLN 244 N 1.24 0.00 -0.78 3.99 5.75 -1.99 -1.75 115.11 121.57 2qcy h GLN 244 Ca -0.44 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.02 2qcy h GLN 244 Cb 1.26 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 2qcy h GLN 244 CO 0.59 0.30 0.30 0.22 -2.65 0.00 0.00 178.83 177.60 2qcy h ASP 245 N 0.00 1.08 -0.43 -0.69 -0.00 -1.99 -0.59 116.42 113.80 2qcy h ASP 245 Ca -0.00 -0.17 -0.12 0.00 -0.00 0.00 0.00 57.03 56.74 2qcy h ASP 245 Cb 0.55 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 39.59 2qcy h ASP 245 CO 0.04 0.96 -0.18 0.45 -0.00 0.00 0.00 179.24 180.51 2qcy h HIS 246 N 1.14 1.04 -0.72 0.28 3.86 -1.78 -1.13 115.15 117.84 2qcy h HIS 246 Ca 0.26 -0.23 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2qcy h HIS 246 Cb 0.22 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 2qcy h HIS 246 CO 0.02 1.02 0.45 0.28 0.86 0.00 0.00 177.93 180.56 2qcy h VAL 247 N 0.81 1.10 -0.81 2.45 2.07 -0.83 -1.86 116.25 119.17 2qcy h VAL 247 Ca 0.11 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2qcy h VAL 247 Cb 0.73 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2qcy h VAL 247 CO 0.06 0.16 0.37 0.44 0.02 0.00 0.00 177.57 178.61 2qcy h ASP 248 N 0.88 1.08 -0.59 0.57 3.45 -0.68 -2.28 116.42 118.86 2qcy h ASP 248 Ca 0.29 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2qcy h ASP 248 Cb 0.02 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 2qcy h ASP 248 CO -0.11 0.93 0.38 0.40 -1.57 0.00 0.00 179.24 179.26 2qcy h ILE 249 N 1.16 1.16 0.00 0.35 2.04 -0.48 -1.42 117.51 120.31 2qcy h ILE 249 Ca 0.28 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2qcy h ILE 249 Cb 0.15 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2qcy h ILE 249 CO -0.03 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.46 2qcy n LEU 250 N -4.43 0.00 -0.04 1.44 4.77 -0.77 -4.23 117.00 113.73 2qcy n LEU 250 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2qcy n LEU 250 Cb 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2qcy n LEU 250 CO 0.36 0.00 0.69 1.23 -1.33 0.00 0.00 177.39 178.34 2qcy h GLY 251 N 4.99 -0.22 0.40 -0.72 0.00 -1.14 0.19 103.07 106.56 2qcy h GLY 251 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 47.33 47.74 2qcy h GLY 251 CO 0.00 -0.20 0.18 -2.55 0.00 0.00 0.00 176.54 173.96 2qcy h PRO 252 N -0.28 0.33 -0.31 4.80 0.11 -1.81 0.27 132.00 135.11 2qcy h PRO 252 Ca 0.13 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.10 2qcy h PRO 252 Cb 0.48 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2qcy h PRO 252 CO -0.38 0.22 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.27 2qcy h LEU 253 N 0.34 0.67 -0.56 2.35 3.38 -1.76 0.38 115.31 120.11 2qcy h LEU 253 Ca 0.28 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2qcy h LEU 253 Cb 0.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2qcy h LEU 253 CO -0.30 0.92 0.01 -1.28 0.09 0.00 0.00 178.44 177.88 2qcy h SER 254 N 0.56 0.97 -0.26 -0.43 0.87 -0.17 -1.78 113.55 113.31 2qcy h SER 254 Ca 0.07 -0.30 -0.13 0.00 -1.23 0.00 0.00 61.79 60.20 2qcy h SER 254 Cb 0.78 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2qcy h SER 254 CO 0.06 1.03 -0.29 0.00 -0.53 0.00 0.00 176.83 177.10 2qcy h ALA 255 N 0.97 0.80 -0.52 6.23 0.00 -0.23 0.35 119.26 126.86 2qcy h ALA 255 Ca 0.16 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2qcy h ALA 255 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2qcy h ALA 255 CO 0.03 0.65 -0.03 0.37 0.00 0.00 0.00 179.25 180.27 2qcy h GLN 256 N 0.66 0.90 0.00 0.00 4.15 -0.71 -3.23 115.11 116.87 2qcy h GLN 256 Ca 0.08 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2qcy h GLN 256 Cb 0.82 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.42 2qcy h GLN 256 CO 0.07 0.91 -1.32 0.25 -1.93 0.00 0.00 178.83 176.81 2qcy n THR 257 N -4.19 0.11 -1.07 2.39 -2.24 -0.69 -4.98 114.28 103.63 2qcy n THR 257 Ca 0.02 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.49 2qcy n THR 257 Cb 0.33 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2qcy n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qcy n GLY 258 N 1.35 0.57 3.33 3.38 0.00 0.12 -5.01 105.19 108.93 2qcy n GLY 258 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2qcy n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qcy s ILE 259 N -2.00 3.76 0.48 -0.61 1.01 -1.06 -5.03 121.20 117.75 2qcy s ILE 259 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 2qcy s ILE 259 Cb 0.00 -2.88 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 2qcy s ILE 259 CO 0.00 0.18 1.42 0.00 0.00 0.00 0.00 174.94 176.53 2qcy s ALA 260 N 1.48 3.11 0.17 9.38 0.00 -1.26 -4.51 121.76 130.12 2qcy s ALA 260 Ca 0.03 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.28 2qcy s ALA 260 Cb -0.16 -3.59 0.12 0.00 0.00 0.00 0.00 23.12 19.49 2qcy s ALA 260 CO 0.01 -1.28 1.70 0.28 0.00 0.00 0.00 175.76 176.47 2qcy h VAL 261 N 2.02 0.71 0.00 0.00 2.07 -1.94 -0.93 116.25 118.19 2qcy h VAL 261 Ca -0.51 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2qcy h VAL 261 Cb 1.28 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2qcy h VAL 261 CO 0.60 0.02 -0.08 -0.07 0.02 0.00 0.00 177.57 178.06 2qcy h LEU 262 N 0.13 0.00 -0.12 2.57 3.38 -1.91 0.81 115.31 120.17 2qcy h LEU 262 Ca 0.20 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 2qcy h LEU 262 Cb 0.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.04 2qcy h LEU 262 CO -0.32 0.08 -0.97 0.44 0.09 0.00 0.00 178.44 177.76 2qcy h ASP 263 N 0.00 0.65 -0.11 -0.43 5.19 -1.49 -2.00 116.42 118.24 2qcy h ASP 263 Ca -0.00 -0.52 -0.11 0.00 -0.62 0.00 0.00 57.03 55.77 2qcy h ASP 263 Cb 0.24 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2qcy h ASP 263 CO 0.01 1.32 -0.30 -0.03 -3.12 0.00 0.00 179.24 177.12 2qcy h MET 264 N 0.28 0.59 -0.52 3.56 4.05 -0.21 -1.94 114.93 120.74 2qcy h MET 264 Ca -0.09 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.06 2qcy h MET 264 Cb 1.61 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.37 2qcy h MET 264 CO 0.18 0.82 0.26 0.00 0.23 0.00 0.00 176.91 178.40 2qcy h ALA 266 N 1.57 1.23 -0.30 0.00 0.00 -0.61 0.62 119.26 121.77 2qcy h ALA 266 Ca 0.18 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2qcy h ALA 266 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qcy h ALA 266 CO -0.03 0.50 -0.39 0.00 0.00 0.00 0.00 179.25 179.34 2qcy h ALA 267 N 1.42 0.45 -0.64 0.00 0.00 -0.67 -2.95 119.26 116.87 2qcy h ALA 267 Ca 0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2qcy h ALA 267 Cb 0.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2qcy h ALA 267 CO 0.04 0.55 0.20 1.25 0.00 0.00 0.00 179.25 181.28 2qcy h LEU 268 N 0.55 0.94 -0.57 0.00 6.46 -0.70 -1.98 115.31 120.00 2qcy h LEU 268 Ca 0.04 -0.21 0.08 0.00 -0.12 0.00 0.00 57.88 57.67 2qcy h LEU 268 Cb 0.98 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 2qcy h LEU 268 CO 0.09 0.90 0.23 0.50 -0.62 0.00 0.00 178.44 179.54 2qcy h LYS 269 N 0.93 0.41 -0.52 1.25 3.64 -0.84 -0.29 116.57 121.15 2qcy h LYS 269 Ca 0.21 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2qcy h LYS 269 Cb 0.30 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2qcy h LYS 269 CO -0.01 0.27 -0.08 1.49 -2.27 0.00 0.00 179.45 178.86 2qcy h GLU 270 N 0.43 0.97 -0.40 1.90 4.81 -1.32 -1.73 114.58 119.24 2qcy h GLU 270 Ca 0.28 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2qcy h GLU 270 Cb 0.31 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 2qcy h GLU 270 CO -0.26 1.02 0.12 -0.07 -0.73 0.00 0.00 179.01 179.08 2qcy h LEU 271 N 0.84 0.52 -0.16 1.64 3.38 -0.60 0.69 115.31 121.62 2qcy h LEU 271 Ca 0.14 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 2qcy h LEU 271 Cb 0.63 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qcy h LEU 271 CO 0.04 0.51 -0.90 -0.07 0.09 0.00 0.00 178.44 178.11 2qcy h LEU 272 N 0.57 0.71 -0.18 1.67 3.38 -0.84 -0.24 115.31 120.38 2qcy h LEU 272 Ca 0.13 -0.53 -0.19 0.00 0.09 0.00 0.00 57.88 57.38 2qcy h LEU 272 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2qcy h LEU 272 CO -0.01 1.32 -0.91 1.56 0.09 0.00 0.00 178.44 180.49 2qcy h GLN 273 N 0.35 0.00 0.00 1.13 4.20 -0.96 -3.37 115.11 116.45 2qcy h GLN 273 Ca -0.08 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2qcy h GLN 273 Cb 1.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.31 2qcy h GLN 273 CO 0.17 0.91 -0.66 0.09 -0.67 0.00 0.00 178.83 178.67 2qcy n ASN 274 N -3.45 1.78 0.00 1.46 4.13 0.20 -5.09 115.26 114.28 2qcy n ASN 274 Ca -0.00 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.91 2qcy n ASN 274 Cb 0.87 1.10 0.00 0.00 -1.54 0.00 0.00 39.78 40.21 2qcy n ASN 274 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qcy n GLY 275 N 1.59 -0.94 0.20 7.41 0.00 -0.10 -4.54 105.19 108.80 2qcy n GLY 275 Ca 0.00 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.48 2qcy n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qcy n MET 276 N -0.96 0.61 -2.54 1.61 2.81 -1.26 -4.73 117.12 112.66 2qcy n MET 276 Ca 0.00 -0.39 -0.15 0.00 -1.81 0.00 0.00 57.70 55.34 2qcy n MET 276 Cb 0.00 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.01 2qcy n MET 276 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2qcy n ASN 277 N -0.85 -4.39 0.00 7.83 5.03 -1.26 -0.82 115.26 120.79 2qcy n ASN 277 Ca 0.10 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.63 2qcy n ASN 277 Cb 0.36 -3.69 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 2qcy n ASN 277 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qcy n GLY 278 N -0.91 1.02 3.88 7.41 0.00 -1.26 -5.05 105.19 110.27 2qcy n GLY 278 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2qcy n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qcy s ARG 279 N -0.54 3.44 0.24 1.61 0.52 -0.00 -5.04 118.95 119.17 2qcy s ARG 279 Ca 0.00 0.64 0.10 0.00 -0.52 0.00 0.00 55.73 55.94 2qcy s ARG 279 Cb 0.00 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 2qcy s ARG 279 CO 0.00 -0.64 -0.06 0.95 0.02 0.00 0.00 175.30 175.57 2qcy s THR 280 N -3.18 3.22 -0.10 0.02 -4.23 -1.26 -4.61 115.64 105.51 2qcy s THR 280 Ca 0.55 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2qcy s THR 280 Cb -0.11 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 71.09 2qcy s THR 280 CO 0.53 -0.28 0.04 -0.63 -0.54 0.00 0.00 174.62 173.73 2qcy s ILE 281 N -2.12 0.16 -1.43 2.99 1.01 -0.57 -4.82 121.20 116.43 2qcy s ILE 281 Ca 0.29 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 2qcy s ILE 281 Cb -0.07 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.94 2qcy s ILE 281 CO 0.17 0.08 0.67 0.18 0.00 0.00 0.00 174.94 176.04 2qcy n LEU 282 N 5.20 -2.56 -2.44 2.97 4.77 -1.26 -1.62 117.00 122.07 2qcy n LEU 282 Ca -0.06 -0.90 -0.20 0.00 -0.03 0.00 0.00 56.01 54.82 2qcy n LEU 282 Cb 0.49 -2.43 0.01 0.00 -2.33 0.00 0.00 43.42 39.16 2qcy n LEU 282 CO 0.09 0.42 -0.16 0.61 -1.33 0.00 0.00 177.39 177.02 2qcy n GLY 283 N -1.72 -0.44 3.04 -0.72 0.00 -1.26 -3.17 105.19 100.91 2qcy n GLY 283 Ca -0.20 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 2qcy n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qcy s SER 284 N -2.34 1.01 0.00 1.61 0.15 -0.64 -4.69 113.70 108.80 2qcy s SER 284 Ca 0.10 -0.29 0.22 0.00 0.70 0.00 0.00 55.95 56.68 2qcy s SER 284 Cb -0.05 -0.07 0.58 0.00 -1.71 0.00 0.00 66.02 64.78 2qcy s SER 284 CO 0.13 0.01 1.49 0.35 1.20 0.00 0.00 173.24 176.42 2qcy n THR 285 N 2.37 0.83 -4.04 6.45 -2.24 -1.26 -1.51 114.28 114.88 2qcy n THR 285 Ca -0.16 -0.88 -0.08 0.00 -2.27 0.00 0.00 64.05 60.65 2qcy n THR 285 Cb 0.56 0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 2qcy n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2qcy s ILE 286 N -1.17 0.19 0.01 2.28 -5.25 -1.26 -4.89 121.20 111.10 2qcy s ILE 286 Ca 0.45 -1.66 -0.30 0.00 -0.99 0.00 0.00 60.65 58.15 2qcy s ILE 286 Cb 0.24 -1.54 -0.05 0.00 2.95 0.00 0.00 42.46 44.06 2qcy s ILE 286 CO 0.32 -0.85 1.18 -0.76 -1.79 0.00 0.00 174.94 173.04 2qcy s LEU 287 N -2.92 4.34 -0.10 0.37 1.43 -1.26 -4.92 118.68 115.61 2qcy s LEU 287 Ca 0.09 1.91 -0.14 0.00 -1.03 0.00 0.00 54.13 54.95 2qcy s LEU 287 Cb 0.07 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 2qcy s LEU 287 CO -0.09 -0.49 0.34 -1.61 0.23 0.00 0.00 176.35 174.73 2qcy s GLU 288 N 1.49 4.09 -0.11 1.70 0.41 -1.26 -4.98 118.70 120.04 2qcy s GLU 288 Ca 0.57 0.22 0.16 0.00 -0.41 0.00 0.00 54.97 55.52 2qcy s GLU 288 Cb -0.27 -3.35 0.25 0.00 -1.78 0.00 0.00 34.13 28.99 2qcy s GLU 288 CO 0.26 0.41 1.13 -0.40 -0.49 0.00 0.00 175.26 176.17 2qcy n ASP 289 N 2.93 2.09 0.02 -0.19 3.85 -1.26 -3.87 116.55 120.12 2qcy n ASP 289 Ca -0.12 -2.93 0.12 0.00 -0.71 0.00 0.00 54.79 51.14 2qcy n ASP 289 Cb 0.52 -0.39 0.15 0.00 -1.35 0.00 0.00 41.12 40.05 2qcy n ASP 289 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2qcy n GLU 290 N -1.26 0.15 -3.83 0.11 0.28 -1.26 -4.72 120.64 110.11 2qcy n GLU 290 Ca 0.14 0.02 -0.36 0.00 -0.16 0.00 0.00 57.16 56.80 2qcy n GLU 290 Cb 0.63 -1.57 -0.11 0.00 1.43 0.00 0.00 31.44 31.83 2qcy n GLU 290 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2qcy s PHE 291 N -3.09 3.21 0.57 -1.84 0.40 -1.26 -4.82 117.98 111.14 2qcy s PHE 291 Ca 0.08 -0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.33 2qcy s PHE 291 Cb 0.16 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.51 2qcy s PHE 291 CO 0.74 -0.05 0.86 0.95 0.70 0.00 0.00 175.22 178.42 2qcy s THR 292 N 1.01 3.47 0.36 0.64 -4.23 -1.26 -4.41 115.64 111.21 2qcy s THR 292 Ca 0.05 -0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.46 2qcy s THR 292 Cb -0.14 -3.36 0.32 0.00 1.34 0.00 0.00 72.50 70.66 2qcy s THR 292 CO 0.03 -0.34 1.87 -0.65 -0.54 0.00 0.00 174.62 174.99 2qcy h PRO 293 N -0.09 0.67 -0.23 3.99 0.11 -1.90 0.52 132.00 135.07 2qcy h PRO 293 Ca -0.45 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2qcy h PRO 293 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2qcy h PRO 293 CO 0.59 0.44 -0.37 0.74 -0.21 0.00 0.00 178.00 179.20 2qcy h PHE 294 N 0.69 0.60 -0.32 0.65 0.04 -1.97 0.56 116.94 117.18 2qcy h PHE 294 Ca 0.45 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 61.03 2qcy h PHE 294 Cb 0.72 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2qcy h PHE 294 CO -0.00 0.81 0.08 -0.44 -0.60 0.00 0.00 178.31 178.15 2qcy h ASP 295 N 0.43 0.49 -0.35 2.17 3.32 -1.31 -0.72 116.42 120.45 2qcy h ASP 295 Ca 0.04 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 2qcy h ASP 295 Cb 0.84 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2qcy h ASP 295 CO 0.07 0.59 0.08 0.58 -1.72 0.00 0.00 179.24 178.84 2qcy h VAL 296 N 0.36 1.23 -0.33 -1.35 2.07 -1.00 -2.55 116.25 114.67 2qcy h VAL 296 Ca 0.10 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2qcy h VAL 296 Cb 0.29 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2qcy h VAL 296 CO 0.00 0.26 -0.02 0.58 0.02 0.00 0.00 177.57 178.42 2qcy h VAL 297 N 0.41 1.20 -0.25 2.57 2.07 -0.81 0.93 116.25 122.37 2qcy h VAL 297 Ca 0.11 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 2qcy h VAL 297 Cb 0.32 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2qcy h VAL 297 CO 0.00 0.28 -0.25 0.00 0.02 0.00 0.00 177.57 177.62 2qcy h ALA 298 N 1.49 1.12 0.00 1.67 0.00 -0.90 -2.17 119.26 120.45 2qcy h ALA 298 Ca 0.11 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2qcy h ALA 298 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qcy h ALA 298 CO 0.01 0.55 -1.90 0.94 0.00 0.00 0.00 179.25 178.86 2qcy n GLN 299 N -4.13 0.72 -0.04 0.00 7.27 -0.98 -4.69 117.38 115.54 2qcy n GLN 299 Ca -0.00 -0.13 0.02 0.00 0.07 0.00 0.00 57.00 56.96 2qcy n GLN 299 Cb 0.40 -1.43 0.04 0.00 2.41 0.00 0.00 30.24 31.66 2qcy n GLN 299 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qcy n SER 301 N 0.08 1.91 0.00 0.00 7.64 -0.82 -4.94 113.62 117.49 2qcy n SER 301 Ca 0.04 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.45 2qcy n SER 301 Cb 0.22 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2qcy n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qcy n GLY 302 N -0.88 3.33 3.51 0.23 0.00 -1.26 -4.58 105.19 105.54 2qcy n GLY 302 Ca 0.08 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2qcy n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qcy s VAL 303 N 0.00 4.43 -0.17 1.61 1.01 -1.26 -4.89 120.40 121.14 2qcy s VAL 303 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 2qcy s VAL 303 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2qcy s VAL 303 CO 0.00 0.39 0.05 -0.89 0.00 0.00 0.00 175.10 174.64 2qcy s THR 304 N 1.11 4.65 0.38 3.92 2.01 -1.26 -5.11 115.64 121.34 2qcy s THR 304 Ca 0.04 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 2qcy s THR 304 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2qcy s THR 304 CO 0.03 0.49 0.62 -0.36 -0.69 0.00 0.00 174.62 174.71 2qcy s PHE 305 N 0.20 3.52 -2.53 4.92 0.40 -1.26 -5.20 117.98 118.02 2qcy s PHE 305 Ca 0.03 0.53 0.28 0.00 -0.60 0.00 0.00 56.93 57.17 2qcy s PHE 305 Cb -0.12 -2.05 0.99 0.00 0.51 0.00 0.00 43.02 42.35 2qcy s PHE 305 CO 0.01 0.01 1.71 1.04 0.70 0.00 0.00 175.22 178.69