#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j12 n VAL 2 N 0.00 0.50 -2.86 0.00 0.31 -0.73 -2.88 118.33 112.66 1j12 n VAL 2 Ca 0.00 -0.12 -0.08 0.00 -0.01 0.00 0.00 64.34 64.12 1j12 n VAL 2 Cb 0.00 -1.63 0.03 0.00 -0.91 0.00 0.00 33.84 31.33 1j12 n VAL 2 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j12 n ASN 3 N 2.83 -3.46 0.00 4.52 4.13 -1.26 -3.86 115.26 118.16 1j12 n ASN 3 Ca 0.14 -0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.21 1j12 n ASN 3 Cb 0.32 -2.03 0.00 0.00 -1.54 0.00 0.00 39.78 36.52 1j12 n ASN 3 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j12 n GLY 4 N -1.01 0.80 3.94 7.41 0.00 -1.14 -4.94 105.19 110.24 1j12 n GLY 4 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1j12 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j12 s LYS 5 N -0.15 0.90 0.00 1.61 -2.85 -1.24 -0.91 119.74 117.10 1j12 s LYS 5 Ca 0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1j12 s LYS 5 Cb 0.00 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.83 1j12 s LYS 5 CO 0.00 -2.20 0.00 0.41 0.10 0.00 0.00 175.35 173.66 1j12 n GLY 6 N -3.58 4.58 3.76 0.59 0.00 -1.26 0.27 105.19 109.55 1j12 n GLY 6 Ca 0.15 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 1j12 n GLY 6 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j12 s MET 7 N -0.57 3.15 -0.00 1.61 0.23 -1.26 -4.71 119.30 117.75 1j12 s MET 7 Ca 0.00 1.73 -0.30 0.00 -1.03 0.00 0.00 55.69 56.10 1j12 s MET 7 Cb 0.00 -1.97 -0.07 0.00 -1.53 0.00 0.00 34.83 31.26 1j12 s MET 7 CO 0.00 -1.04 1.84 1.21 -2.03 0.00 0.00 175.02 175.00 1j12 s ASN 8 N -1.67 6.52 0.61 -1.18 3.84 -1.26 -4.74 114.94 117.07 1j12 s ASN 8 Ca 0.75 2.48 0.32 0.00 0.21 0.00 0.00 52.86 56.62 1j12 s ASN 8 Cb -0.28 -2.53 1.85 0.00 -0.55 0.00 0.00 41.25 39.74 1j12 s ASN 8 CO 0.30 -1.02 2.18 1.55 -2.79 0.00 0.00 177.10 177.33 1j12 h PRO 9 N 10.24 0.00 -0.02 0.43 0.13 -1.93 -1.25 132.00 139.60 1j12 h PRO 9 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j12 h PRO 9 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j12 h PRO 9 CO 0.95 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 1j12 n ASP 10 N -3.61 1.17 -4.59 1.44 8.00 -1.26 -4.63 116.55 113.07 1j12 n ASP 10 Ca -0.01 -1.40 -0.47 0.00 0.71 0.00 0.00 54.79 53.62 1j12 n ASP 10 Cb 0.21 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1j12 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j12 n TYR 11 N -0.08 1.41 -3.76 1.24 9.36 -0.47 -4.80 117.16 120.05 1j12 n TYR 11 Ca 0.20 0.65 -0.13 0.00 3.32 0.00 0.00 57.90 61.94 1j12 n TYR 11 Cb 0.30 -2.30 -0.09 0.00 -0.63 0.00 0.00 39.34 36.62 1j12 n TYR 11 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1j12 s LYS 12 N -0.74 0.59 -0.12 2.98 1.02 -0.58 -4.64 119.74 118.24 1j12 s LYS 12 Ca 0.68 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 56.62 1j12 s LYS 12 Cb -0.78 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 36.76 1j12 s LYS 12 CO 0.54 -0.14 0.09 0.00 -0.92 0.00 0.00 175.35 174.92 1j12 s ALA 13 N -0.88 3.63 0.07 5.17 0.00 -1.26 -1.73 121.76 126.76 1j12 s ALA 13 Ca -0.10 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1j12 s ALA 13 Cb -0.04 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1j12 s ALA 13 CO 0.03 0.53 -0.19 0.71 0.00 0.00 0.00 175.76 176.84 1j12 s TYR 14 N -0.74 1.66 -0.12 0.00 4.12 0.42 -0.20 117.35 122.49 1j12 s TYR 14 Ca 0.13 -0.39 -0.02 0.00 0.02 0.00 0.00 57.07 56.80 1j12 s TYR 14 Cb -0.12 -0.95 -0.03 0.00 -1.52 0.00 0.00 41.96 39.35 1j12 s TYR 14 CO 0.03 0.12 -0.06 -1.17 0.02 0.00 0.00 175.55 174.49 1j12 s LEU 15 N -1.50 3.17 0.02 -1.29 2.96 -0.48 -0.58 118.68 120.98 1j12 s LEU 15 Ca 0.05 -0.11 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 1j12 s LEU 15 Cb -0.09 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1j12 s LEU 15 CO 0.03 0.24 0.88 -0.32 -1.32 0.00 0.00 176.35 175.85 1j12 s MET 16 N -0.05 4.56 0.77 1.98 -2.45 -0.42 -0.93 119.30 122.75 1j12 s MET 16 Ca 0.01 1.26 -0.11 0.00 -1.25 0.00 0.00 55.69 55.59 1j12 s MET 16 Cb -0.13 -3.42 0.05 0.00 1.25 0.00 0.00 34.83 32.58 1j12 s MET 16 CO 0.03 0.10 1.10 0.00 1.05 0.00 0.00 175.02 177.29 1j12 s ALA 17 N 0.53 2.45 0.90 4.11 0.00 -0.24 -0.29 121.76 129.22 1j12 s ALA 17 Ca 0.45 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1j12 s ALA 17 Cb -0.21 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 19.94 1j12 s ALA 17 CO 0.26 -1.55 1.01 -2.30 0.00 0.00 0.00 175.76 173.18 1j12 n PRO 18 N -3.30 -0.29 0.12 0.00 -0.02 -1.26 -4.68 135.00 125.56 1j12 n PRO 18 Ca 0.07 -0.02 -0.03 0.00 -2.02 0.00 0.00 63.50 61.50 1j12 n PRO 18 Cb 0.57 -2.29 0.09 0.00 -0.02 0.00 0.00 33.50 31.85 1j12 n PRO 18 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1j12 h LEU 19 N -1.61 0.01-10.32 2.45 5.85 -1.95 -3.45 115.31 106.28 1j12 h LEU 19 Ca -0.44 -0.01 -0.45 0.00 0.84 0.00 0.00 57.88 57.83 1j12 h LEU 19 Cb 1.28 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.32 1j12 h LEU 19 CO 0.41 0.72 -0.28 -1.59 -0.34 0.00 0.00 178.44 177.37 1j12 s LYS 20 N -3.38 3.13 0.36 1.25 -2.85 -1.26 -4.99 119.74 112.00 1j12 s LYS 20 Ca -0.01 -0.84 -0.28 0.00 -1.00 0.00 0.00 55.97 53.84 1j12 s LYS 20 Cb 0.12 -2.75 -0.11 0.00 -2.06 0.00 0.00 37.83 33.03 1j12 s LYS 20 CO 0.78 -0.00 1.43 0.15 0.10 0.00 0.00 175.35 177.80 1j12 s LYS 21 N -4.27 4.19 0.26 1.78 1.02 -1.26 -4.90 119.74 116.56 1j12 s LYS 21 Ca 0.45 2.46 -0.04 0.00 0.02 0.00 0.00 55.97 58.86 1j12 s LYS 21 Cb -0.10 -3.00 0.53 0.00 -0.52 0.00 0.00 37.83 34.74 1j12 s LYS 21 CO 0.33 -0.42 1.64 0.82 -0.92 0.00 0.00 175.35 176.80 1j12 h ILE 22 N 3.01 0.35 0.00 2.17 1.08 -1.93 0.17 117.51 122.35 1j12 h ILE 22 Ca -0.50 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1j12 h ILE 22 Cb 1.23 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1j12 h ILE 22 CO 0.65 0.03 0.00 -2.65 -0.69 0.00 0.00 178.15 175.49 1j12 n PRO 23 N -5.29 0.01 0.04 2.37 -0.02 -1.26 -0.23 135.00 130.62 1j12 n PRO 23 Ca 0.16 0.40 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1j12 n PRO 23 Cb 0.54 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 1j12 n PRO 23 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1j12 n GLU 24 N -1.47 0.51 -0.12 -0.52 1.02 0.59 -4.41 120.64 116.26 1j12 n GLU 24 Ca 0.01 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 1j12 n GLU 24 Cb 0.05 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 29.71 1j12 n GLU 24 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1j12 n VAL 25 N -2.29 1.33 -1.19 2.62 0.31 -0.17 -5.04 118.33 113.90 1j12 n VAL 25 Ca -0.01 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1j12 n VAL 25 Cb 0.52 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1j12 n VAL 25 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1j12 n THR 26 N -3.17 0.00 -4.46 2.52 5.66 0.67 -5.12 114.28 110.38 1j12 n THR 26 Ca -0.41 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.35 1j12 n THR 26 Cb 0.94 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.62 1j12 n THR 26 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1j12 s ASN 27 N 2.00 3.55 0.25 1.09 2.20 -1.26 -3.98 114.94 118.79 1j12 s ASN 27 Ca 0.00 -1.02 -0.03 0.00 -0.94 0.00 0.00 52.86 50.87 1j12 s ASN 27 Cb 0.00 -0.29 0.46 0.00 -2.00 0.00 0.00 41.25 39.42 1j12 s ASN 27 CO 0.00 0.04 1.78 -0.50 -2.94 0.00 0.00 177.10 175.48 1j12 h TRP 28 N 2.33 0.77 -0.58 1.54 4.06 -1.98 -0.98 115.95 121.11 1j12 h TRP 28 Ca -0.40 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.49 1j12 h TRP 28 Cb 1.26 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.18 1j12 h TRP 28 CO 0.80 0.24 -0.00 0.93 -3.56 0.00 0.00 178.44 176.84 1j12 h GLU 29 N 0.67 1.02 -0.43 0.49 3.07 -1.99 -0.91 114.58 116.49 1j12 h GLU 29 Ca 0.42 -0.33 -0.09 0.00 -0.50 0.00 0.00 59.36 58.86 1j12 h GLU 29 Cb 0.52 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1j12 h GLU 29 CO -0.31 1.01 -0.09 1.15 -1.40 0.00 0.00 179.01 179.37 1j12 h THR 30 N 0.91 1.27 -0.48 1.13 2.02 -1.89 -2.35 112.91 113.53 1j12 h THR 30 Ca 0.16 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 66.21 1j12 h THR 30 Cb 0.56 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1j12 h THR 30 CO 0.03 0.41 0.19 0.15 0.37 0.00 0.00 175.52 176.66 1j12 h PHE 31 N 0.66 0.33 -0.76 3.16 3.57 -0.91 0.75 116.94 123.75 1j12 h PHE 31 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1j12 h PHE 31 Cb 0.63 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1j12 h PHE 31 CO 0.05 0.13 0.35 0.93 -2.23 0.00 0.00 178.31 177.54 1j12 h GLU 32 N 0.37 1.10 -0.45 1.11 5.08 -1.00 -0.77 114.58 120.02 1j12 h GLU 32 Ca 0.22 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1j12 h GLU 32 Cb 0.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1j12 h GLU 32 CO -0.21 0.87 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.72 1j12 h ASN 33 N 1.07 0.74 -0.51 1.42 2.35 -0.79 -1.79 115.58 118.08 1j12 h ASN 33 Ca 0.26 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1j12 h ASN 33 Cb 0.14 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1j12 h ASN 33 CO -0.03 0.82 0.04 0.44 -1.65 0.00 0.00 177.43 177.05 1j12 h ASP 34 N 0.71 0.90 -0.28 5.81 3.32 -0.34 -1.10 116.42 125.43 1j12 h ASP 34 Ca 0.13 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1j12 h ASP 34 Cb 0.48 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1j12 h ASP 34 CO 0.02 0.93 0.01 -0.07 -1.72 0.00 0.00 179.24 178.42 1j12 h LEU 35 N 0.87 0.55 -0.64 1.55 3.38 -0.53 0.21 115.31 120.71 1j12 h LEU 35 Ca 0.17 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1j12 h LEU 35 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1j12 h LEU 35 CO 0.02 0.61 -0.59 0.03 0.09 0.00 0.00 178.44 178.60 1j12 h ARG 36 N 0.56 0.30 -0.00 1.13 3.08 -0.77 -0.08 114.38 118.60 1j12 h ARG 36 Ca 0.12 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1j12 h ARG 36 Cb 0.34 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1j12 h ARG 36 CO 0.01 0.80 -0.00 2.35 -1.07 0.00 0.00 179.97 182.06 1j12 h TRP 37 N 0.23 0.00 -0.71 3.04 -0.00 -0.48 -1.52 115.95 116.52 1j12 h TRP 37 Ca -0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 58.95 1j12 h TRP 37 Cb 1.09 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 30.20 1j12 h TRP 37 CO 0.03 0.31 0.40 0.00 -0.00 0.00 0.00 178.44 179.18 1j12 h ALA 38 N 0.69 0.96 -0.44 2.65 0.00 -0.46 -0.25 119.26 122.42 1j12 h ALA 38 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1j12 h ALA 38 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1j12 h ALA 38 CO 0.00 0.07 0.10 -0.22 0.00 0.00 0.00 179.25 179.21 1j12 h LYS 39 N 0.72 0.65 0.00 0.00 3.64 -0.91 -1.12 116.57 119.55 1j12 h LYS 39 Ca 0.32 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1j12 h LYS 39 Cb 0.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1j12 h LYS 39 CO -0.19 0.60 0.00 0.37 -2.27 0.00 0.00 179.45 177.95 1j12 h GLN 40 N 0.63 0.00 -0.63 1.90 4.15 0.02 -2.81 115.11 118.37 1j12 h GLN 40 Ca 0.14 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.48 1j12 h GLN 40 Cb 0.24 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1j12 h GLN 40 CO -0.00 0.00 0.10 0.09 -1.93 0.00 0.00 178.83 177.09 1j12 n ASN 41 N -3.00 5.36 0.00 -0.69 3.02 -0.46 -4.93 115.26 114.57 1j12 n ASN 41 Ca 0.00 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1j12 n ASN 41 Cb 0.28 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1j12 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j12 n GLY 42 N 0.29 0.78 3.68 7.41 0.00 -1.06 -4.23 105.19 112.06 1j12 n GLY 42 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 1j12 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j12 s PHE 43 N -2.92 3.46 -0.06 1.61 0.08 -0.99 -4.31 117.98 114.84 1j12 s PHE 43 Ca 0.00 1.55 -0.22 0.00 0.12 0.00 0.00 56.93 58.37 1j12 s PHE 43 Cb 0.00 -3.22 -0.31 0.00 -0.57 0.00 0.00 43.02 38.93 1j12 s PHE 43 CO 0.00 -0.34 0.86 -0.92 -0.10 0.00 0.00 175.22 174.73 1j12 h TYR 44 N 7.20 0.48 -3.77 0.36 3.20 -0.91 -3.37 116.97 120.16 1j12 h TYR 44 Ca -0.28 -0.35 -0.09 0.00 3.14 0.00 0.00 58.73 61.15 1j12 h TYR 44 Cb 1.13 -0.02 -0.13 0.00 1.54 0.00 0.00 36.73 39.25 1j12 h TYR 44 CO 0.72 1.29 -0.31 0.00 -1.64 0.00 0.00 178.16 178.22 1j12 s ALA 45 N -2.41 -0.25 -0.17 1.82 0.00 -1.24 -3.41 121.76 116.10 1j12 s ALA 45 Ca -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 1j12 s ALA 45 Cb 0.01 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1j12 s ALA 45 CO 0.81 -0.58 -0.03 -1.50 0.00 0.00 0.00 175.76 174.47 1j12 s ILE 46 N -3.89 3.85 0.21 0.00 2.07 -0.79 -1.38 121.20 121.27 1j12 s ILE 46 Ca 0.09 -0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 58.82 1j12 s ILE 46 Cb 0.04 -2.71 -0.08 0.00 0.13 0.00 0.00 42.46 39.84 1j12 s ILE 46 CO -0.07 0.47 0.62 0.42 -1.91 0.00 0.00 174.94 174.46 1j12 s THR 47 N 0.66 4.78 -0.14 4.00 -4.23 -0.11 -0.97 115.64 119.63 1j12 s THR 47 Ca -0.02 0.89 -0.13 0.00 -1.18 0.00 0.00 61.69 61.25 1j12 s THR 47 Cb -0.14 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.01 1j12 s THR 47 CO 0.02 0.11 0.38 0.54 -0.54 0.00 0.00 174.62 175.13 1j12 s VAL 48 N -1.62 -0.00 -0.02 2.29 0.11 -0.63 -1.08 120.40 119.45 1j12 s VAL 48 Ca 0.43 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.21 1j12 s VAL 48 Cb -0.14 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1j12 s VAL 48 CO 0.20 0.00 0.85 -1.81 -3.33 0.00 0.00 175.10 171.01 1j12 s ASP 49 N 0.22 7.21 -0.35 3.54 1.01 -1.26 -0.65 116.67 126.40 1j12 s ASP 49 Ca -0.00 1.46 0.02 0.00 0.71 0.00 0.00 52.55 54.74 1j12 s ASP 49 Cb -0.03 -2.50 0.09 0.00 1.01 0.00 0.00 42.92 41.50 1j12 s ASP 49 CO 0.00 -0.18 0.07 -0.36 0.21 0.00 0.00 175.17 174.91 1j12 s PHE 50 N 0.82 3.64 0.18 4.23 2.99 -0.62 -4.92 117.98 124.30 1j12 s PHE 50 Ca 0.45 -2.72 -0.30 0.00 0.00 0.00 0.00 56.93 54.36 1j12 s PHE 50 Cb -0.20 -2.84 -0.09 0.00 0.00 0.00 0.00 43.02 39.90 1j12 s PHE 50 CO 0.24 -0.94 1.35 -1.58 -0.00 0.00 0.00 175.22 174.29 1j12 s TRP 51 N 1.00 3.22 0.37 0.36 0.52 -1.26 -0.91 118.94 122.24 1j12 s TRP 51 Ca 0.07 1.12 0.07 0.00 0.02 0.00 0.00 56.10 57.37 1j12 s TRP 51 Cb -0.20 -3.65 0.73 0.00 -1.15 0.00 0.00 33.47 29.20 1j12 s TRP 51 CO -0.06 -2.13 1.94 2.35 0.02 0.00 0.00 176.95 179.07 1j12 h TRP 52 N 5.74 0.45 0.00 -1.98 7.01 -1.35 -1.53 115.95 124.28 1j12 h TRP 52 Ca -0.44 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.53 1j12 h TRP 52 Cb 1.21 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.14 1j12 h TRP 52 CO 0.63 0.42 -0.00 0.78 -2.79 0.00 0.00 178.44 177.48 1j12 h GLY 53 N 0.71 0.00 0.21 2.65 0.00 -1.82 -2.73 103.07 102.10 1j12 h GLY 53 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.06 1j12 h GLY 53 CO 0.00 0.00 -2.15 1.22 0.00 0.00 0.00 176.54 175.62 1j12 n ASP 54 N -3.55 2.01 0.13 0.19 8.00 -0.62 -4.04 116.55 118.67 1j12 n ASP 54 Ca -0.03 0.14 0.12 0.00 0.71 0.00 0.00 54.79 55.73 1j12 n ASP 54 Cb 0.08 -0.72 0.49 0.00 -0.02 0.00 0.00 41.12 40.95 1j12 n ASP 54 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1j12 n MET 55 N -3.67 0.21 -2.69 -1.24 2.81 -0.91 -4.05 117.12 107.57 1j12 n MET 55 Ca -0.41 0.41 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1j12 n MET 55 Cb 0.95 -1.88 0.11 0.00 -0.71 0.00 0.00 33.22 31.69 1j12 n MET 55 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1j12 n GLU 56 N -2.27 1.23 0.10 0.03 2.13 -1.05 -0.97 120.64 119.84 1j12 n GLU 56 Ca 0.02 -1.91 -0.19 0.00 0.66 0.00 0.00 57.16 55.75 1j12 n GLU 56 Cb 0.26 -0.13 -0.12 0.00 0.27 0.00 0.00 31.44 31.72 1j12 n GLU 56 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1j12 h LYS 57 N 1.96 0.46 0.00 5.31 2.10 -1.70 -3.34 116.57 121.36 1j12 h LYS 57 Ca -0.28 -0.65 0.00 0.00 -2.00 0.00 0.00 60.65 57.72 1j12 h LYS 57 Cb 1.29 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.84 1j12 h LYS 57 CO -0.02 1.28 0.00 0.09 -2.00 0.00 0.00 179.45 178.80 1j12 n ASN 58 N -3.69 0.57 0.00 7.07 3.02 -1.26 -4.70 115.26 116.27 1j12 n ASN 58 Ca -0.11 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1j12 n ASN 58 Cb 0.98 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1j12 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j12 n GLY 59 N 0.38 1.54 3.69 7.41 0.00 -1.25 -5.01 105.19 111.96 1j12 n GLY 59 Ca 0.03 -1.34 -0.44 0.00 0.00 0.00 0.00 46.02 44.28 1j12 n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j12 n ASP 60 N 0.00 3.72 -0.31 1.61 2.03 -1.26 -1.81 116.55 120.52 1j12 n ASP 60 Ca 0.00 1.04 -0.04 0.00 0.52 0.00 0.00 54.79 56.30 1j12 n ASP 60 Cb 0.00 -1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 38.88 1j12 n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j12 n GLN 61 N 4.59 -1.37 -3.01 -0.67 1.13 -1.26 -4.90 117.38 111.89 1j12 n GLN 61 Ca 0.17 0.55 -0.43 0.00 -1.94 0.00 0.00 57.00 55.35 1j12 n GLN 61 Cb 0.33 -4.67 0.01 0.00 0.11 0.00 0.00 30.24 26.03 1j12 n GLN 61 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1j12 n GLN 62 N -0.70 4.37 -1.79 -1.09 6.02 -0.75 -5.03 117.38 118.42 1j12 n GLN 62 Ca -0.04 -4.51 -0.32 0.00 -0.01 0.00 0.00 57.00 52.12 1j12 n GLN 62 Cb 0.41 -2.53 0.03 0.00 1.02 0.00 0.00 30.24 29.17 1j12 n GLN 62 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1j12 s PHE 63 N -2.54 2.98 -0.26 1.08 0.40 -1.26 -4.36 117.98 114.01 1j12 s PHE 63 Ca 0.31 1.48 -0.01 0.00 -0.60 0.00 0.00 56.93 58.11 1j12 s PHE 63 Cb 0.04 -2.97 0.13 0.00 0.51 0.00 0.00 43.02 40.72 1j12 s PHE 63 CO 0.09 -1.25 0.29 0.34 0.70 0.00 0.00 175.22 175.39 1j12 s ASP 64 N -3.20 1.37 -0.09 1.36 2.15 -0.15 -4.95 116.67 113.17 1j12 s ASP 64 Ca 0.61 -0.49 0.13 0.00 0.43 0.00 0.00 52.55 53.24 1j12 s ASP 64 Cb -0.16 0.58 0.37 0.00 -0.30 0.00 0.00 42.92 43.42 1j12 s ASP 64 CO 0.45 -0.36 1.29 0.49 -0.17 0.00 0.00 175.17 176.87 1j12 n PHE 65 N 5.32 0.57 -0.29 -5.34 3.01 -1.26 -4.27 117.46 115.20 1j12 n PHE 65 Ca -0.03 -0.72 0.02 0.00 1.01 0.00 0.00 57.45 57.73 1j12 n PHE 65 Cb 0.48 -0.17 0.15 0.00 -0.01 0.00 0.00 39.48 39.93 1j12 n PHE 65 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j12 h SER 66 N 1.50 0.73 -0.27 4.37 4.64 -1.99 -1.47 113.55 121.06 1j12 h SER 66 Ca 0.00 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1j12 h SER 66 Cb 1.05 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1j12 h SER 66 CO 0.10 0.44 -0.03 0.22 -0.87 0.00 0.00 176.83 176.68 1j12 h TYR 67 N 0.85 0.54 -0.49 4.77 3.20 -1.99 -0.65 116.97 123.21 1j12 h TYR 67 Ca 0.38 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1j12 h TYR 67 Cb 0.28 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1j12 h TYR 67 CO -0.05 0.67 0.29 0.00 -1.64 0.00 0.00 178.16 177.44 1j12 h ALA 68 N 0.79 0.62 -0.50 1.82 0.00 -1.80 0.14 119.26 120.34 1j12 h ALA 68 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1j12 h ALA 68 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1j12 h ALA 68 CO 0.02 -0.00 -0.07 1.96 0.00 0.00 0.00 179.25 181.16 1j12 h GLN 69 N 0.59 0.89 -0.16 0.00 4.20 -1.23 -1.01 115.11 118.40 1j12 h GLN 69 Ca 0.19 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1j12 h GLN 69 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1j12 h GLN 69 CO -0.08 0.93 0.02 -0.09 -0.67 0.00 0.00 178.83 178.94 1j12 h ARG 70 N 0.81 0.27 -0.87 1.46 9.65 -0.67 -1.95 114.38 123.07 1j12 h ARG 70 Ca 0.14 -0.07 0.07 0.00 -1.10 0.00 0.00 59.98 59.01 1j12 h ARG 70 Cb 0.58 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.07 1j12 h ARG 70 CO 0.04 0.45 0.54 0.35 2.80 0.00 0.00 179.97 184.15 1j12 h PHE 71 N 0.04 1.00 -0.27 2.20 3.57 -0.59 -1.79 116.94 121.11 1j12 h PHE 71 Ca 0.05 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1j12 h PHE 71 Cb 0.32 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1j12 h PHE 71 CO 0.02 0.49 -0.02 0.00 -2.23 0.00 0.00 178.31 176.58 1j12 h ALA 72 N 1.42 1.48 -0.34 2.41 0.00 -0.88 -2.28 119.26 121.06 1j12 h ALA 72 Ca 0.39 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1j12 h ALA 72 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1j12 h ALA 72 CO -0.18 0.37 -0.15 0.37 0.00 0.00 0.00 179.25 179.66 1j12 h GLN 73 N 0.39 0.71 -0.48 0.00 5.75 -0.55 -1.99 115.11 118.94 1j12 h GLN 73 Ca 0.09 -0.30 -0.09 0.00 -0.15 0.00 0.00 58.65 58.19 1j12 h GLN 73 Cb 0.29 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1j12 h GLN 73 CO 0.01 0.90 -0.07 0.77 -2.65 0.00 0.00 178.83 177.79 1j12 h SER 74 N 0.49 0.83 -0.88 -0.69 0.02 -1.27 0.59 113.55 112.63 1j12 h SER 74 Ca 0.08 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1j12 h SER 74 Cb 0.68 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 1j12 h SER 74 CO 0.05 0.94 0.47 0.58 -1.14 0.00 0.00 176.83 177.73 1j12 h VAL 75 N 0.77 1.26 -0.27 2.27 2.07 -1.32 0.37 116.25 121.41 1j12 h VAL 75 Ca 0.14 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1j12 h VAL 75 Cb 0.56 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1j12 h VAL 75 CO 0.03 0.30 -0.04 0.50 0.02 0.00 0.00 177.57 178.38 1j12 h LYS 76 N 1.24 0.50 -0.19 1.57 3.64 -0.95 -1.68 116.57 120.70 1j12 h LYS 76 Ca 0.31 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1j12 h LYS 76 Cb 0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1j12 h LYS 76 CO -0.05 0.69 0.13 -0.91 -2.27 0.00 0.00 179.45 177.04 1j12 h ASN 77 N 0.27 0.16 -0.02 4.20 2.35 -0.22 -0.44 115.58 121.87 1j12 h ASN 77 Ca 0.07 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1j12 h ASN 77 Cb 0.49 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1j12 h ASN 77 CO 0.02 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.92 1j12 n ALA 78 N -2.53 2.59 -2.77 -0.83 0.00 0.06 -4.94 120.51 112.09 1j12 n ALA 78 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 1j12 n ALA 78 Cb 0.13 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.38 1j12 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j12 n GLY 79 N 1.14 -0.08 3.53 0.00 0.00 -0.18 -4.55 105.19 105.05 1j12 n GLY 79 Ca 0.20 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1j12 n GLY 79 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1j12 s MET 80 N -5.31 1.86 0.32 1.61 0.00 -0.66 -5.05 119.30 112.07 1j12 s MET 80 Ca 0.21 -2.10 0.07 0.00 0.00 0.00 0.00 55.69 53.86 1j12 s MET 80 Cb -0.09 -0.87 -0.02 0.00 0.00 0.00 0.00 34.83 33.85 1j12 s MET 80 CO 0.25 -0.33 0.36 0.15 0.00 0.00 0.00 175.02 175.45 1j12 s LYS 81 N -3.80 2.97 0.05 4.11 -0.14 -1.22 -4.41 119.74 117.29 1j12 s LYS 81 Ca 0.27 -1.11 -0.00 0.00 -1.36 0.00 0.00 55.97 53.77 1j12 s LYS 81 Cb 0.05 -2.66 -0.03 0.00 -1.68 0.00 0.00 37.83 33.50 1j12 s LYS 81 CO 0.14 0.14 -0.04 0.00 -0.76 0.00 0.00 175.35 174.82 1j12 s MET 82 N -4.06 0.57 -0.35 1.68 0.23 0.42 -1.89 119.30 115.91 1j12 s MET 82 Ca 0.41 -1.07 0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1j12 s MET 82 Cb -0.08 0.08 0.11 0.00 -1.53 0.00 0.00 34.83 33.42 1j12 s MET 82 CO 0.29 -0.07 0.14 0.42 -2.03 0.00 0.00 175.02 173.77 1j12 s ILE 83 N -3.13 0.95 0.44 3.16 1.01 -0.15 -1.53 121.20 121.96 1j12 s ILE 83 Ca 0.01 -1.72 -0.23 0.00 0.00 0.00 0.00 60.65 58.72 1j12 s ILE 83 Cb 0.02 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.70 1j12 s ILE 83 CO -0.06 -0.76 1.10 -2.16 0.00 0.00 0.00 174.94 173.06 1j12 s PRO 84 N 1.25 3.93 -0.20 2.79 0.04 -1.25 -1.60 135.00 139.97 1j12 s PRO 84 Ca 0.12 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 1j12 s PRO 84 Cb -0.20 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.93 1j12 s PRO 84 CO -0.17 -0.36 -0.14 0.42 0.04 0.00 0.00 177.00 176.79 1j12 s ILE 85 N -1.64 2.60 -1.00 0.56 1.01 0.18 -1.28 121.20 121.63 1j12 s ILE 85 Ca 0.62 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 60.28 1j12 s ILE 85 Cb -0.24 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.12 1j12 s ILE 85 CO 0.30 0.49 1.52 -0.63 0.00 0.00 0.00 174.94 176.62 1j12 s ILE 86 N 1.36 3.85 -1.07 2.92 -1.09 -0.52 -1.58 121.20 125.07 1j12 s ILE 86 Ca 0.05 -0.69 -0.22 0.00 -2.23 0.00 0.00 60.65 57.57 1j12 s ILE 86 Cb -0.14 -4.90 0.05 0.00 -1.58 0.00 0.00 42.46 35.89 1j12 s ILE 86 CO -0.09 -1.79 1.52 -0.44 -1.23 0.00 0.00 174.94 172.91 1j12 s SER 87 N 5.41 6.50 -0.14 3.58 0.01 -0.09 -2.96 113.70 126.02 1j12 s SER 87 Ca 0.49 -1.61 0.02 0.00 1.31 0.00 0.00 55.95 56.17 1j12 s SER 87 Cb -0.01 -2.57 0.25 0.00 0.21 0.00 0.00 66.02 63.90 1j12 s SER 87 CO -0.08 -1.50 1.22 0.35 0.41 0.00 0.00 173.24 173.63 1j12 n THR 88 N 6.84 1.56 -4.33 1.44 -2.24 -1.26 -0.97 114.28 115.32 1j12 n THR 88 Ca 0.36 -0.63 -0.18 0.00 -2.27 0.00 0.00 64.05 61.34 1j12 n THR 88 Cb 0.50 -0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 1j12 n THR 88 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1j12 s HIS 89 N -1.29 1.62 0.24 4.78 -3.43 -1.26 -4.65 115.29 111.30 1j12 s HIS 89 Ca 0.20 -0.63 -0.30 0.00 -0.80 0.00 0.00 55.06 53.53 1j12 s HIS 89 Cb 0.16 -0.78 -0.09 0.00 -1.43 0.00 0.00 32.58 30.44 1j12 s HIS 89 CO 0.04 0.28 1.23 -1.14 -2.00 0.00 0.00 174.74 173.15 1j12 s GLN 90 N -3.68 4.47 -0.15 -0.38 0.74 -0.43 -4.75 119.66 115.49 1j12 s GLN 90 Ca 0.22 1.97 -0.14 0.00 0.05 0.00 0.00 55.36 57.46 1j12 s GLN 90 Cb 0.00 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.88 1j12 s GLN 90 CO 0.06 -0.08 0.31 0.00 -0.55 0.00 0.00 175.29 175.03 1j12 n GLY 92 N 3.28 2.97 0.00 0.00 0.00 -1.25 -1.36 105.19 108.83 1j12 n GLY 92 Ca -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1j12 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j12 n GLY 93 N 1.00 2.98 3.94 -0.02 0.00 -1.26 -4.99 105.19 106.84 1j12 n GLY 93 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1j12 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j12 s ASN 94 N -0.12 6.04 -0.29 1.61 0.01 -1.26 -4.94 114.94 115.99 1j12 s ASN 94 Ca 0.00 0.48 -0.38 0.00 -0.71 0.00 0.00 52.86 52.26 1j12 s ASN 94 Cb 0.00 -1.84 -0.14 0.00 0.41 0.00 0.00 41.25 39.69 1j12 s ASN 94 CO 0.00 -0.57 1.95 0.52 -1.51 0.00 0.00 177.10 177.49 1j12 n VAL 95 N -2.05 0.29 -0.81 1.60 0.31 -1.26 -0.73 118.33 115.67 1j12 n VAL 95 Ca -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1j12 n VAL 95 Cb 0.57 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1j12 n VAL 95 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j12 n GLY 96 N 5.29 0.81 3.60 2.92 0.00 -1.26 -5.00 105.19 111.56 1j12 n GLY 96 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 1j12 n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j12 s ASP 97 N -2.68 5.96 -0.88 1.61 -0.00 0.09 -4.88 116.67 115.88 1j12 s ASP 97 Ca 0.00 1.35 0.00 0.00 -0.00 0.00 0.00 52.55 53.90 1j12 s ASP 97 Cb 0.00 -2.53 0.29 0.00 -0.00 0.00 0.00 42.92 40.68 1j12 s ASP 97 CO 0.00 -1.65 1.22 -0.67 -0.00 0.00 0.00 175.17 174.07 1j12 n ASP 98 N 10.04 5.45 -3.66 0.27 4.64 -1.26 -4.59 116.55 127.43 1j12 n ASP 98 Ca 0.22 -3.47 -0.01 0.00 -1.38 0.00 0.00 54.79 50.15 1j12 n ASP 98 Cb 0.46 -1.00 -0.01 0.00 -1.04 0.00 0.00 41.12 39.54 1j12 n ASP 98 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1j12 s ASN 100 N -2.91 1.06 -0.43 0.00 2.47 -1.25 -3.80 114.94 110.08 1j12 s ASN 100 Ca 0.13 -2.41 0.02 0.00 0.42 0.00 0.00 52.86 51.02 1j12 s ASN 100 Cb 0.02 0.18 0.15 0.00 -1.45 0.00 0.00 41.25 40.16 1j12 s ASN 100 CO -0.02 -0.19 0.29 -0.69 -3.72 0.00 0.00 177.10 172.77 1j12 s VAL 101 N 0.62 0.84 0.85 -5.21 1.01 -0.46 -4.98 120.40 113.06 1j12 s VAL 101 Ca 0.27 -2.50 -0.12 0.00 0.00 0.00 0.00 61.98 59.63 1j12 s VAL 101 Cb -0.04 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.85 1j12 s VAL 101 CO -0.11 -1.04 1.13 -2.16 0.00 0.00 0.00 175.10 172.92 1j12 s PRO 102 N 0.30 1.66 0.64 2.72 0.04 -1.26 -0.67 135.00 138.42 1j12 s PRO 102 Ca 0.23 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 1j12 s PRO 102 Cb -0.13 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1j12 s PRO 102 CO -0.08 -1.86 1.07 0.96 0.04 0.00 0.00 177.00 177.13 1j12 s ILE 103 N -3.27 3.70 -0.23 0.56 -4.36 -1.26 -4.01 121.20 112.33 1j12 s ILE 103 Ca 0.62 0.74 -0.41 0.00 -0.26 0.00 0.00 60.65 61.33 1j12 s ILE 103 Cb -0.14 -3.30 -0.18 0.00 1.25 0.00 0.00 42.46 40.10 1j12 s ILE 103 CO 0.53 -0.55 1.53 -2.65 0.24 0.00 0.00 174.94 174.04 1j12 n PRO 104 N -2.42 0.65 0.06 0.37 -0.02 -1.26 -4.85 135.00 127.52 1j12 n PRO 104 Ca 0.09 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1j12 n PRO 104 Cb 0.53 -1.84 0.52 0.00 -0.02 0.00 0.00 33.50 32.69 1j12 n PRO 104 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j12 h SER 105 N 5.46 0.29 0.21 2.55 4.64 -1.90 -2.22 113.55 122.58 1j12 h SER 105 Ca -0.47 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1j12 h SER 105 Cb 1.35 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1j12 h SER 105 CO 0.89 0.20 -0.04 4.11 -0.87 0.00 0.00 176.83 181.11 1j12 h TRP 106 N 0.34 0.00 -0.69 4.77 5.08 -1.89 -2.74 115.95 120.83 1j12 h TRP 106 Ca 0.14 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.13 1j12 h TRP 106 Cb 0.14 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.27 1j12 h TRP 106 CO -0.00 0.04 0.46 0.28 -1.28 0.00 0.00 178.44 177.94 1j12 h VAL 107 N 0.00 1.13 0.00 0.12 2.07 -1.77 -2.67 116.25 115.14 1j12 h VAL 107 Ca -0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1j12 h VAL 107 Cb 0.16 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1j12 h VAL 107 CO 0.01 0.16 -0.19 -0.50 0.02 0.00 0.00 177.57 177.07 1j12 h TRP 108 N 0.87 0.00 0.00 1.57 4.06 -1.68 -2.21 115.95 118.56 1j12 h TRP 108 Ca 0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.22 1j12 h TRP 108 Cb -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1j12 h TRP 108 CO -0.00 0.19 0.00 0.09 -3.56 0.00 0.00 178.44 175.16 1j12 n ASN 109 N -4.26 0.00 0.08 -3.49 3.02 -1.00 -3.27 115.26 106.33 1j12 n ASN 109 Ca -0.02 0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.75 1j12 n ASN 109 Cb 0.25 -0.32 0.44 0.00 -0.61 0.00 0.00 39.78 39.55 1j12 n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j12 n GLN 110 N -1.32 0.14 -4.11 3.52 6.02 -0.83 -4.77 117.38 116.03 1j12 n GLN 110 Ca 0.07 0.30 -0.14 0.00 -0.01 0.00 0.00 57.00 57.22 1j12 n GLN 110 Cb 0.14 -1.73 -0.12 0.00 1.02 0.00 0.00 30.24 29.55 1j12 n GLN 110 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1j12 s LYS 111 N -3.16 0.54 -0.00 -1.09 -0.14 -1.20 -5.03 119.74 109.65 1j12 s LYS 111 Ca 0.07 -0.62 0.21 0.00 -1.36 0.00 0.00 55.97 54.27 1j12 s LYS 111 Cb 0.11 -0.39 -0.21 0.00 -1.68 0.00 0.00 37.83 35.66 1j12 s LYS 111 CO 0.41 0.08 0.88 -1.13 -0.76 0.00 0.00 175.35 174.83 1j12 n SER 112 N 1.86 0.87 -0.90 2.83 3.41 -1.26 -4.96 113.62 115.46 1j12 n SER 112 Ca -0.20 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1j12 n SER 112 Cb 0.56 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1j12 n SER 112 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1j12 n ASP 113 N -1.59 0.27 -2.47 4.04 3.85 -1.26 -5.04 116.55 114.36 1j12 n ASP 113 Ca 0.03 -0.45 -0.33 0.00 -0.71 0.00 0.00 54.79 53.33 1j12 n ASP 113 Cb 0.36 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.17 1j12 n ASP 113 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1j12 n ASP 114 N -1.23 6.52 0.14 -1.12 3.85 -1.26 -4.68 116.55 118.78 1j12 n ASP 114 Ca 0.00 -3.78 0.11 0.00 -0.71 0.00 0.00 54.79 50.41 1j12 n ASP 114 Cb 0.00 -0.78 0.06 0.00 -1.35 0.00 0.00 41.12 39.05 1j12 n ASP 114 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1j12 h SER 115 N 2.44 0.00 1.39 -1.12 4.64 -1.96 -3.39 113.55 115.55 1j12 h SER 115 Ca 0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.80 1j12 h SER 115 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1j12 h SER 115 CO 1.24 0.02 -0.61 -0.07 -0.87 0.00 0.00 176.83 176.54 1j12 h LEU 116 N 0.00 0.00 0.00 5.97 3.38 -1.89 -3.36 115.31 119.42 1j12 h LEU 116 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1j12 h LEU 116 Cb 1.02 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.66 1j12 h LEU 116 CO 0.00 0.04 -0.44 0.00 0.09 0.00 0.00 178.44 178.13 1j12 n TYR 117 N -2.87 1.06 -4.17 1.13 0.18 -1.26 -0.27 117.16 110.96 1j12 n TYR 117 Ca 0.01 -2.31 -0.25 0.00 1.88 0.00 0.00 57.90 57.23 1j12 n TYR 117 Cb 0.56 -0.30 -0.07 0.00 -0.38 0.00 0.00 39.34 39.15 1j12 n TYR 117 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1j12 s PHE 118 N -2.70 2.95 -0.07 -3.48 0.40 -0.37 -4.72 117.98 109.99 1j12 s PHE 118 Ca 0.01 -0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1j12 s PHE 118 Cb 0.00 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.18 1j12 s PHE 118 CO 0.00 0.53 0.15 0.21 0.70 0.00 0.00 175.22 176.81 1j12 s LYS 119 N -3.21 0.05 1.02 0.44 2.20 -1.26 -0.71 119.74 118.28 1j12 s LYS 119 Ca 0.30 0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 56.20 1j12 s LYS 119 Cb -0.09 -0.24 0.24 0.00 -1.51 0.00 0.00 37.83 36.23 1j12 s LYS 119 CO 0.21 -0.24 1.30 -1.13 -0.36 0.00 0.00 175.35 175.13 1j12 n SER 120 N 4.81 -0.19 -0.18 1.43 3.41 0.32 -1.54 113.62 121.67 1j12 n SER 120 Ca -0.15 -1.44 0.06 0.00 -0.26 0.00 0.00 58.87 57.08 1j12 n SER 120 Cb 0.51 -1.02 0.35 0.00 -0.26 0.00 0.00 64.21 63.79 1j12 n SER 120 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j12 h GLU 121 N 0.00 0.73 -0.21 4.33 5.08 -1.81 -1.32 114.58 121.38 1j12 h GLU 121 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1j12 h GLU 121 Cb 1.20 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1j12 h GLU 121 CO 0.30 0.49 0.00 0.25 -1.00 0.00 0.00 179.01 179.05 1j12 n THR 122 N -4.48 0.26 -0.34 1.13 -2.24 -1.26 -4.93 114.28 102.42 1j12 n THR 122 Ca 0.10 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1j12 n THR 122 Cb 0.22 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1j12 n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j12 n GLY 123 N 1.25 0.70 3.66 3.38 0.00 -0.50 -5.03 105.19 108.66 1j12 n GLY 123 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1j12 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j12 s THR 124 N -2.56 3.51 0.13 2.61 2.01 -1.26 -4.61 115.64 115.48 1j12 s THR 124 Ca 0.00 0.68 -0.21 0.00 0.31 0.00 0.00 61.69 62.47 1j12 s THR 124 Cb 0.00 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 1j12 s THR 124 CO 0.00 -0.05 0.66 -0.69 -0.69 0.00 0.00 174.62 173.85 1j12 s VAL 125 N 3.83 4.60 -0.06 3.82 1.01 -1.26 -0.52 120.40 131.82 1j12 s VAL 125 Ca 0.73 1.37 0.01 0.00 0.00 0.00 0.00 61.98 64.10 1j12 s VAL 125 Cb -0.34 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1j12 s VAL 125 CO 0.30 0.49 -0.08 0.21 0.00 0.00 0.00 175.10 176.02 1j12 s ASN 126 N -1.22 1.36 -0.27 3.32 3.84 0.11 -4.96 114.94 117.11 1j12 s ASN 126 Ca 0.33 -0.21 0.15 0.00 0.21 0.00 0.00 52.86 53.35 1j12 s ASN 126 Cb -0.20 -0.62 0.48 0.00 -0.55 0.00 0.00 41.25 40.36 1j12 s ASN 126 CO 0.22 -0.02 1.15 0.29 -2.79 0.00 0.00 177.10 175.94 1j12 n LYS 127 N 4.01 2.67 -0.16 0.43 5.02 -1.26 -1.24 118.16 127.64 1j12 n LYS 127 Ca -0.23 -3.84 0.11 0.00 -2.02 0.00 0.00 58.31 52.33 1j12 n LYS 127 Cb 0.51 -1.94 0.28 0.00 -0.02 0.00 0.00 35.03 33.86 1j12 n LYS 127 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1j12 n GLU 128 N -0.65 2.12 -3.62 1.97 0.28 -1.26 -4.82 120.64 114.66 1j12 n GLU 128 Ca 0.25 -1.70 -0.04 0.00 -0.16 0.00 0.00 57.16 55.51 1j12 n GLU 128 Cb 0.89 -1.44 -0.04 0.00 1.43 0.00 0.00 31.44 32.28 1j12 n GLU 128 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1j12 s THR 129 N -1.59 0.00 0.31 3.84 -1.32 -1.26 -1.31 115.64 114.32 1j12 s THR 129 Ca 0.35 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.54 1j12 s THR 129 Cb 0.19 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 70.08 1j12 s THR 129 CO 0.28 0.00 1.23 -0.76 -2.21 0.00 0.00 174.62 173.16 1j12 s LEU 130 N -1.21 4.47 0.08 9.08 1.43 -1.26 -4.81 118.68 126.46 1j12 s LEU 130 Ca 0.07 2.54 -0.31 0.00 -1.03 0.00 0.00 54.13 55.40 1j12 s LEU 130 Cb -0.01 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 1j12 s LEU 130 CO -0.05 -0.40 1.56 0.21 0.23 0.00 0.00 176.35 177.90 1j12 s ASN 131 N -0.63 6.67 0.00 2.29 3.84 0.62 -4.85 114.94 122.88 1j12 s ASN 131 Ca 0.47 2.42 0.03 0.00 0.21 0.00 0.00 52.86 56.00 1j12 s ASN 131 Cb -0.37 -2.57 0.20 0.00 -0.55 0.00 0.00 41.25 37.96 1j12 s ASN 131 CO 0.49 -0.82 0.60 -0.81 -2.79 0.00 0.00 177.10 173.77 1j12 n PRO 132 N 5.08 0.14 0.09 0.43 -0.04 -1.26 -1.47 135.00 137.97 1j12 n PRO 132 Ca 0.14 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1j12 n PRO 132 Cb 0.41 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1j12 n PRO 132 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1j12 h LEU 133 N 0.00 0.00 -5.00 1.53 3.38 -1.89 -3.35 115.31 109.98 1j12 h LEU 133 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1j12 h LEU 133 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1j12 h LEU 133 CO 0.00 0.64 2.52 0.00 0.09 0.00 0.00 178.44 181.69 1j12 n ALA 134 N -2.31 7.09 0.28 1.53 0.00 -0.54 -4.67 120.51 121.89 1j12 n ALA 134 Ca -0.02 -3.40 0.14 0.00 0.00 0.00 0.00 53.44 50.15 1j12 n ALA 134 Cb 0.81 -2.94 0.84 0.00 0.00 0.00 0.00 19.45 18.16 1j12 n ALA 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j12 h SER 135 N 4.42 0.00 -0.36 0.00 4.64 -1.82 -1.53 113.55 118.90 1j12 h SER 135 Ca 0.69 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.91 1j12 h SER 135 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1j12 h SER 135 CO 1.39 0.00 -0.14 -2.24 -0.87 0.00 0.00 176.83 174.97 1j12 h ASP 136 N 0.00 0.75 0.65 4.97 2.03 -1.95 -0.07 116.42 122.80 1j12 h ASP 136 Ca 0.01 -0.39 -0.17 0.00 -0.73 0.00 0.00 57.03 55.75 1j12 h ASP 136 Cb 0.06 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.33 1j12 h ASP 136 CO -0.00 0.97 -0.78 0.58 -1.03 0.00 0.00 179.24 178.98 1j12 h VAL 137 N 0.52 1.51 -0.13 4.15 2.07 -1.76 -2.87 116.25 119.75 1j12 h VAL 137 Ca 0.09 -2.54 -0.12 0.00 0.82 0.00 0.00 66.70 64.95 1j12 h VAL 137 Cb 0.67 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1j12 h VAL 137 CO 0.05 0.73 -0.37 0.40 0.02 0.00 0.00 177.57 178.39 1j12 h ILE 138 N 0.06 1.37 -0.23 4.57 2.04 -1.24 -1.58 117.51 122.50 1j12 h ILE 138 Ca -0.02 -1.68 0.04 0.00 1.00 0.00 0.00 64.86 64.20 1j12 h ILE 138 Cb 1.37 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.52 1j12 h ILE 138 CO 0.11 0.50 -0.02 -0.09 0.00 0.00 0.00 178.15 178.65 1j12 h ARG 139 N 0.07 0.04 0.61 2.37 2.43 -1.01 0.18 114.38 119.06 1j12 h ARG 139 Ca -0.01 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1j12 h ARG 139 Cb 0.99 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1j12 h ARG 139 CO 0.08 0.03 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.05 1j12 h LYS 140 N 0.04 -0.79 -0.48 0.20 3.64 -1.52 -0.72 116.57 116.94 1j12 h LYS 140 Ca 0.11 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1j12 h LYS 140 Cb 0.15 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1j12 h LYS 140 CO -0.20 -0.52 0.27 0.93 -2.27 0.00 0.00 179.45 177.65 1j12 h GLU 141 N -0.84 0.67 -0.35 1.90 4.39 -1.25 -0.62 114.58 118.49 1j12 h GLU 141 Ca -0.08 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.38 1j12 h GLU 141 Cb 0.63 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1j12 h GLU 141 CO 0.14 0.52 -0.42 1.88 -1.16 0.00 0.00 179.01 179.97 1j12 h TYR 142 N 0.64 1.07 -0.25 4.33 -1.99 -0.74 -1.78 116.97 118.25 1j12 h TYR 142 Ca 0.17 -0.33 0.01 0.00 2.00 0.00 0.00 58.73 60.58 1j12 h TYR 142 Cb 0.05 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 1j12 h TYR 142 CO -0.02 1.15 0.15 0.78 -0.00 0.00 0.00 178.16 180.22 1j12 h GLY 143 N 0.80 0.35 1.05 3.88 0.00 -0.96 -1.19 103.07 107.01 1j12 h GLY 143 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1j12 h GLY 143 CO 0.10 0.11 0.32 0.83 0.00 0.00 0.00 176.54 177.90 1j12 h GLU 144 N 0.32 1.20 -0.09 4.80 5.08 -1.05 -2.76 114.58 122.07 1j12 h GLU 144 Ca 0.10 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1j12 h GLU 144 Cb -0.01 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1j12 h GLU 144 CO -0.04 0.97 -0.07 1.25 -1.00 0.00 0.00 179.01 180.12 1j12 h LEU 145 N 1.17 0.23 -0.16 1.33 5.85 -1.13 -2.21 115.31 120.39 1j12 h LEU 145 Ca 0.27 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1j12 h LEU 145 Cb 0.21 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1j12 h LEU 145 CO -0.02 0.63 0.01 1.88 -0.34 0.00 0.00 178.44 180.60 1j12 h TYR 146 N -0.18 0.01 -0.14 1.25 0.99 -1.22 -0.39 116.97 117.29 1j12 h TYR 146 Ca 0.02 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1j12 h TYR 146 Cb 0.56 0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.29 1j12 h TYR 146 CO 0.08 -0.01 0.06 1.15 -0.00 0.00 0.00 178.16 179.44 1j12 h THR 147 N 0.07 0.98 -0.55 -2.88 2.02 -1.56 -1.27 112.91 109.72 1j12 h THR 147 Ca 0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 1j12 h THR 147 Cb 0.08 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1j12 h THR 147 CO -0.12 0.02 0.15 0.00 0.37 0.00 0.00 175.52 175.95 1j12 h ALA 148 N 1.08 1.22 -0.40 6.16 0.00 -1.22 -2.25 119.26 123.85 1j12 h ALA 148 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1j12 h ALA 148 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1j12 h ALA 148 CO -0.05 0.54 0.02 0.35 0.00 0.00 0.00 179.25 180.11 1j12 h PHE 149 N 0.81 0.75 -0.32 0.00 3.57 -0.82 -2.01 116.94 118.92 1j12 h PHE 149 Ca 0.18 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1j12 h PHE 149 Cb 0.27 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1j12 h PHE 149 CO 0.02 0.76 0.18 0.00 -2.23 0.00 0.00 178.31 177.03 1j12 h ALA 150 N 0.89 0.40 -0.90 2.41 0.00 -0.97 0.30 119.26 121.40 1j12 h ALA 150 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1j12 h ALA 150 Cb 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1j12 h ALA 150 CO 0.02 -0.19 0.54 0.00 0.00 0.00 0.00 179.25 179.63 1j12 h ALA 151 N 1.15 1.27 -0.13 0.00 0.00 -1.32 -0.83 119.26 119.41 1j12 h ALA 151 Ca 0.13 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1j12 h ALA 151 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1j12 h ALA 151 CO -0.07 0.63 -0.52 0.00 0.00 0.00 0.00 179.25 179.29 1j12 h ALA 152 N 1.37 0.89 -0.01 0.00 0.00 -0.93 -3.21 119.26 117.36 1j12 h ALA 152 Ca 0.32 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1j12 h ALA 152 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1j12 h ALA 152 CO -0.06 0.67 -0.27 -1.33 0.00 0.00 0.00 179.25 178.26 1j12 n MET 153 N -3.95 0.92 -0.29 0.00 2.81 0.06 -4.55 117.12 112.12 1j12 n MET 153 Ca -0.02 -0.57 -0.01 0.00 -1.81 0.00 0.00 57.70 55.30 1j12 n MET 153 Cb 0.56 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.65 1j12 n MET 153 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1j12 h LYS 154 N 1.38 -0.05 0.00 0.03 1.57 -1.17 0.17 116.57 118.50 1j12 h LYS 154 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j12 h LYS 154 Cb 0.53 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1j12 h LYS 154 CO 0.00 -0.03 0.00 -1.35 -0.57 0.00 0.00 179.45 177.50 1j12 h PRO 155 N -0.05 0.00 -0.42 3.15 0.11 -1.84 -1.80 132.00 131.14 1j12 h PRO 155 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1j12 h PRO 155 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1j12 h PRO 155 CO -0.83 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.62 1j12 n TYR 156 N -2.87 1.00 0.07 0.65 4.02 0.56 -4.66 117.16 115.93 1j12 n TYR 156 Ca -0.03 -0.67 0.19 0.00 -0.01 0.00 0.00 57.90 57.39 1j12 n TYR 156 Cb 0.07 -0.21 0.73 0.00 -0.02 0.00 0.00 39.34 39.91 1j12 n TYR 156 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1j12 h LYS 157 N 2.68 0.00 0.00 -0.72 2.10 -1.04 -0.42 116.57 119.16 1j12 h LYS 157 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1j12 h LYS 157 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1j12 h LYS 157 CO 0.16 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.21 1j12 n ASP 158 N -4.14 0.48 -0.41 7.07 5.68 -1.26 -3.06 116.55 120.91 1j12 n ASP 158 Ca 0.07 0.60 0.08 0.00 -0.50 0.00 0.00 54.79 55.04 1j12 n ASP 158 Cb 0.54 -0.71 0.01 0.00 -1.14 0.00 0.00 41.12 39.82 1j12 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1j12 n VAL 159 N -2.01 0.00 -3.30 2.12 0.24 -0.17 -4.94 118.33 110.27 1j12 n VAL 159 Ca 0.03 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.55 1j12 n VAL 159 Cb 0.26 1.22 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 1j12 n VAL 159 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1j12 s ILE 160 N -1.73 5.08 -0.12 1.34 1.01 -1.17 -0.44 121.20 125.17 1j12 s ILE 160 Ca 0.14 0.42 0.18 0.00 0.00 0.00 0.00 60.65 61.39 1j12 s ILE 160 Cb 0.13 -3.87 -0.19 0.00 0.01 0.00 0.00 42.46 38.54 1j12 s ILE 160 CO 0.35 -0.08 0.60 0.00 0.00 0.00 0.00 174.94 175.81 1j12 n ALA 161 N 5.57 1.94 -3.59 9.38 0.00 -0.58 -4.94 120.51 128.29 1j12 n ALA 161 Ca -0.06 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 1j12 n ALA 161 Cb 0.49 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 1j12 n ALA 161 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1j12 s LYS 162 N -2.90 1.12 -0.06 0.00 2.20 -1.26 -4.25 119.74 114.59 1j12 s LYS 162 Ca -0.05 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1j12 s LYS 162 Cb 0.09 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1j12 s LYS 162 CO 0.83 -0.50 -0.15 0.42 -0.36 0.00 0.00 175.35 175.59 1j12 s ILE 163 N -3.38 1.31 -0.02 5.43 -1.09 -0.59 -3.77 121.20 119.09 1j12 s ILE 163 Ca 0.07 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1j12 s ILE 163 Cb -0.02 -1.16 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 1j12 s ILE 163 CO -0.05 0.39 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.73 1j12 s TYR 164 N 0.43 3.06 0.06 3.97 4.12 -0.40 -1.43 117.35 127.16 1j12 s TYR 164 Ca -0.12 0.08 0.08 0.00 0.02 0.00 0.00 57.07 57.13 1j12 s TYR 164 Cb -0.15 -1.68 -0.03 0.00 -1.52 0.00 0.00 41.96 38.58 1j12 s TYR 164 CO 0.04 0.44 -0.19 -0.51 0.02 0.00 0.00 175.55 175.35 1j12 s LEU 165 N -1.39 2.56 -0.46 -1.29 1.43 -0.69 -1.44 118.68 117.41 1j12 s LEU 165 Ca 0.18 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 1j12 s LEU 165 Cb -0.11 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1j12 s LEU 165 CO 0.08 0.23 0.71 -0.55 0.23 0.00 0.00 176.35 177.05 1j12 s SER 166 N -1.61 6.34 0.00 2.29 0.15 -1.16 -4.45 113.70 115.26 1j12 s SER 166 Ca 0.15 -0.33 0.30 0.00 0.70 0.00 0.00 55.95 56.77 1j12 s SER 166 Cb -0.10 -2.34 1.47 0.00 -1.71 0.00 0.00 66.02 63.33 1j12 s SER 166 CO 0.06 -0.86 1.99 0.61 1.20 0.00 0.00 173.24 176.23 1j12 n GLY 167 N 5.04 -0.63 0.00 9.45 0.00 -1.25 -4.74 105.19 113.06 1j12 n GLY 167 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1j12 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j12 n GLY 168 N 1.12 -0.57 3.70 -0.02 0.00 -0.93 -4.20 105.19 104.29 1j12 n GLY 168 Ca 0.20 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1j12 n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j12 n PRO 169 N 0.00 2.48 -2.06 1.61 -0.02 -1.21 -1.39 135.00 134.40 1j12 n PRO 169 Ca 0.00 0.89 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 1j12 n PRO 169 Cb 0.00 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 30.75 1j12 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j12 n ALA 170 N 3.48 -0.47 -1.15 3.55 0.00 -1.26 -1.96 120.51 122.70 1j12 n ALA 170 Ca 0.16 0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.76 1j12 n ALA 170 Cb 0.32 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 1j12 n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j12 n GLY 171 N -0.86 0.74 3.43 0.00 0.00 -0.49 -5.01 105.19 102.99 1j12 n GLY 171 Ca -0.22 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1j12 n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j12 s GLU 172 N -1.94 2.33 -0.66 1.61 2.02 -0.83 -3.81 118.70 117.41 1j12 s GLU 172 Ca 0.00 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 53.92 1j12 s GLU 172 Cb 0.00 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 1j12 s GLU 172 CO 0.00 0.59 1.78 -1.17 0.02 0.00 0.00 175.26 176.49 1j12 s LEU 173 N -0.80 3.26 -0.01 1.80 2.96 0.60 -2.19 118.68 124.31 1j12 s LEU 173 Ca 0.11 0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 1j12 s LEU 173 Cb -0.10 -2.54 0.12 0.00 0.50 0.00 0.00 46.19 44.17 1j12 s LEU 173 CO 0.01 -2.33 1.28 0.00 -1.32 0.00 0.00 176.35 173.99 1j12 s ARG 174 N 6.84 0.43 0.31 1.98 1.70 -1.26 -4.63 118.95 124.31 1j12 s ARG 174 Ca 0.63 -0.25 -0.07 0.00 -0.47 0.00 0.00 55.73 55.57 1j12 s ARG 174 Cb -0.11 0.14 -0.06 0.00 -0.57 0.00 0.00 34.95 34.35 1j12 s ARG 174 CO 0.18 -0.20 0.61 0.71 -1.08 0.00 0.00 175.30 175.52 1j12 s TYR 175 N -2.39 3.46 -1.57 5.89 1.51 -0.01 -4.35 117.35 119.90 1j12 s TYR 175 Ca 0.16 0.79 -0.09 0.00 -1.01 0.00 0.00 57.07 56.92 1j12 s TYR 175 Cb 0.04 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.62 1j12 s TYR 175 CO -0.03 0.12 2.84 -0.35 -1.11 0.00 0.00 175.55 177.02 1j12 n PRO 176 N -0.87 3.87 0.07 -1.71 -0.04 -1.26 -4.65 135.00 130.41 1j12 n PRO 176 Ca -0.00 -2.46 0.13 0.00 -0.04 0.00 0.00 63.50 61.13 1j12 n PRO 176 Cb 0.54 -2.78 0.47 0.00 -0.04 0.00 0.00 33.50 31.69 1j12 n PRO 176 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j12 n SER 177 N 3.26 0.50 -3.83 3.54 3.41 -1.26 -4.53 113.62 114.70 1j12 n SER 177 Ca 0.75 0.56 -0.30 0.00 -0.26 0.00 0.00 58.87 59.62 1j12 n SER 177 Cb 0.24 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.36 1j12 n SER 177 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1j12 s TYR 178 N -3.09 2.55 0.04 7.33 -0.85 -1.26 -2.67 117.35 119.40 1j12 s TYR 178 Ca 0.11 -2.63 0.01 0.00 -0.52 0.00 0.00 57.07 54.04 1j12 s TYR 178 Cb 0.14 -2.29 -0.03 0.00 0.38 0.00 0.00 41.96 40.16 1j12 s TYR 178 CO 0.53 -0.81 -0.06 0.95 -1.52 0.00 0.00 175.55 174.64 1j12 s THR 179 N 0.43 0.43 0.22 -3.49 -4.23 -1.25 -4.69 115.64 103.06 1j12 s THR 179 Ca 0.15 -1.14 -0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1j12 s THR 179 Cb -0.23 -0.65 0.14 0.00 1.34 0.00 0.00 72.50 73.10 1j12 s THR 179 CO -0.05 -0.48 1.76 0.71 -0.54 0.00 0.00 174.62 176.03 1j12 h THR 180 N 4.34 1.26 -0.11 3.99 1.35 -1.92 0.80 112.91 122.63 1j12 h THR 180 Ca -0.35 -0.89 -0.04 0.00 -0.55 0.00 0.00 66.41 64.59 1j12 h THR 180 Cb 1.20 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1j12 h THR 180 CO 0.44 0.35 -0.11 0.28 -0.25 0.00 0.00 175.52 176.23 1j12 h SER 181 N 1.06 0.16 -0.30 5.36 0.02 -1.99 -1.36 113.55 116.50 1j12 h SER 181 Ca 0.23 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1j12 h SER 181 Cb 0.30 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1j12 h SER 181 CO -0.01 0.29 0.00 -0.67 -1.14 0.00 0.00 176.83 175.31 1j12 n ASP 182 N -4.32 2.78 -3.45 3.07 4.64 -1.11 -4.95 116.55 113.22 1j12 n ASP 182 Ca -0.01 -1.90 -0.24 0.00 -1.38 0.00 0.00 54.79 51.26 1j12 n ASP 182 Cb 0.24 -0.19 0.07 0.00 -1.04 0.00 0.00 41.12 40.19 1j12 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j12 n GLY 183 N 1.36 -0.54 0.39 0.27 0.00 -0.51 -4.91 105.19 101.25 1j12 n GLY 183 Ca 0.18 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.49 1j12 n GLY 183 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j12 n THR 184 N -4.87 1.33 -1.11 2.61 -2.24 0.23 -4.94 114.28 105.28 1j12 n THR 184 Ca -0.02 -1.79 -0.29 0.00 -2.27 0.00 0.00 64.05 59.68 1j12 n THR 184 Cb 0.58 0.05 0.16 0.00 -2.10 0.00 0.00 70.33 69.02 1j12 n THR 184 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j12 s GLY 185 N -2.41 1.59 0.38 3.38 0.00 -1.19 -3.90 107.32 105.17 1j12 s GLY 185 Ca 0.26 -0.16 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 1j12 s GLY 185 CO -0.01 0.39 1.27 2.98 0.00 0.00 0.00 173.10 177.73 1j12 n TYR 186 N -4.11 2.16 -1.00 1.90 9.36 -1.26 -0.58 117.16 123.63 1j12 n TYR 186 Ca 0.06 0.53 -0.01 0.00 3.32 0.00 0.00 57.90 61.79 1j12 n TYR 186 Cb 0.56 -2.39 0.34 0.00 -0.63 0.00 0.00 39.34 37.22 1j12 n TYR 186 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1j12 n PRO 187 N 0.29 4.15 -0.65 2.98 -0.04 -1.26 -5.11 135.00 135.36 1j12 n PRO 187 Ca 0.06 -3.13 -0.31 0.00 -0.04 0.00 0.00 63.50 60.08 1j12 n PRO 187 Cb 0.38 -2.24 0.18 0.00 -0.04 0.00 0.00 33.50 31.78 1j12 n PRO 187 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j12 n SER 188 N 0.11 -0.29 -4.81 3.54 7.64 0.25 -4.56 113.62 115.51 1j12 n SER 188 Ca 0.37 0.30 -0.33 0.00 1.01 0.00 0.00 58.87 60.22 1j12 n SER 188 Cb 1.33 -1.41 0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1j12 n SER 188 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j12 s ARG 189 N -4.48 3.33 0.55 1.43 1.70 -1.26 -4.74 118.95 115.47 1j12 s ARG 189 Ca 0.66 1.18 -0.03 0.00 -0.47 0.00 0.00 55.73 57.07 1j12 s ARG 189 Cb -0.23 -2.04 0.01 0.00 -0.57 0.00 0.00 34.95 32.13 1j12 s ARG 189 CO 0.60 -0.80 0.81 0.20 -1.08 0.00 0.00 175.30 175.04 1j12 s GLY 190 N -2.85 1.64 0.03 3.88 0.00 -0.24 -4.73 107.32 105.05 1j12 s GLY 190 Ca 0.63 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1j12 s GLY 190 CO 0.38 -0.70 -0.02 0.54 0.00 0.00 0.00 173.10 173.30 1j12 s LYS 191 N -4.83 2.63 0.27 2.90 1.02 -1.09 -4.81 119.74 115.83 1j12 s LYS 191 Ca 0.53 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 1j12 s LYS 191 Cb -0.10 -2.58 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 1j12 s LYS 191 CO 0.41 0.59 1.24 -0.06 -0.92 0.00 0.00 175.35 176.62 1j12 s PHE 192 N -1.14 3.27 -0.63 3.18 0.40 -1.26 -4.56 117.98 117.23 1j12 s PHE 192 Ca 0.21 1.44 0.02 0.00 -0.60 0.00 0.00 56.93 58.01 1j12 s PHE 192 Cb -0.11 -3.54 0.38 0.00 0.51 0.00 0.00 43.02 40.26 1j12 s PHE 192 CO 0.12 -1.47 1.42 1.04 0.70 0.00 0.00 175.22 177.04 1j12 n GLN 193 N 1.48 3.38 -2.60 0.44 1.13 -1.26 -2.39 117.38 117.57 1j12 n GLN 193 Ca 0.02 -4.28 -0.11 0.00 -1.94 0.00 0.00 57.00 50.68 1j12 n GLN 193 Cb 0.43 -2.27 0.03 0.00 0.11 0.00 0.00 30.24 28.54 1j12 n GLN 193 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j12 n ALA 194 N -0.43 3.62 -0.16 -1.58 0.00 -1.20 -4.44 120.51 116.32 1j12 n ALA 194 Ca 0.43 -3.28 0.07 0.00 0.00 0.00 0.00 53.44 50.66 1j12 n ALA 194 Cb 0.46 -0.77 0.18 0.00 0.00 0.00 0.00 19.45 19.33 1j12 n ALA 194 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j12 n TYR 195 N -0.41 0.54 -1.57 0.00 4.02 -0.59 -4.27 117.16 114.88 1j12 n TYR 195 Ca 0.18 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.90 57.30 1j12 n TYR 195 Cb 0.81 -0.02 0.06 0.00 -0.02 0.00 0.00 39.34 40.17 1j12 n TYR 195 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1j12 s THR 196 N -1.01 3.73 0.37 -0.72 -4.23 -1.26 -4.89 115.64 107.63 1j12 s THR 196 Ca 0.28 0.56 0.09 0.00 -1.18 0.00 0.00 61.69 61.44 1j12 s THR 196 Cb 0.15 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.83 1j12 s THR 196 CO 0.20 -0.73 1.89 -0.33 -0.54 0.00 0.00 174.62 175.10 1j12 h GLU 197 N -0.83 0.26 -0.50 3.99 4.39 -1.93 -2.39 114.58 117.56 1j12 h GLU 197 Ca -0.45 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 1j12 h GLU 197 Cb 1.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1j12 h GLU 197 CO 0.58 0.42 0.03 0.35 -1.16 0.00 0.00 179.01 179.22 1j12 h PHE 198 N 0.24 0.93 -0.57 4.33 3.57 -1.92 -1.71 116.94 121.82 1j12 h PHE 198 Ca 0.05 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 1j12 h PHE 198 Cb 0.42 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1j12 h PHE 198 CO 0.01 0.86 0.30 0.00 -2.23 0.00 0.00 178.31 177.25 1j12 h ALA 199 N 0.95 0.73 -0.77 2.41 0.00 -1.77 -1.65 119.26 119.16 1j12 h ALA 199 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1j12 h ALA 199 Cb 0.47 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1j12 h ALA 199 CO 0.02 0.27 0.49 0.87 0.00 0.00 0.00 179.25 180.89 1j12 h LYS 200 N 0.76 0.93 -0.59 0.00 1.57 -1.19 -1.71 116.57 116.34 1j12 h LYS 200 Ca 0.20 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1j12 h LYS 200 Cb 0.08 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1j12 h LYS 200 CO -0.03 0.61 0.23 0.77 -0.57 0.00 0.00 179.45 180.47 1j12 h SER 201 N 0.96 0.83 -0.73 0.86 0.02 -0.95 -1.26 113.55 113.27 1j12 h SER 201 Ca 0.31 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1j12 h SER 201 Cb 0.01 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1j12 h SER 201 CO -0.11 0.78 0.24 0.11 -1.14 0.00 0.00 176.83 176.71 1j12 h LYS 202 N 0.83 1.13 -0.15 3.45 1.79 -0.75 -0.42 116.57 122.45 1j12 h LYS 202 Ca 0.20 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1j12 h LYS 202 Cb 0.22 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1j12 h LYS 202 CO -0.01 0.96 -0.19 0.35 -1.08 0.00 0.00 179.45 179.48 1j12 h PHE 203 N 1.09 0.49 0.06 -1.35 3.57 -1.22 -1.77 116.94 117.80 1j12 h PHE 203 Ca 0.24 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1j12 h PHE 203 Cb 0.29 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1j12 h PHE 203 CO 0.02 0.81 -0.25 -0.09 -2.23 0.00 0.00 178.31 176.57 1j12 h ARG 204 N 0.03 -0.41 -0.50 1.11 2.43 -1.04 -0.14 114.38 115.86 1j12 h ARG 204 Ca 0.02 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1j12 h ARG 204 Cb 0.74 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1j12 h ARG 204 CO 0.05 -0.27 0.19 -0.07 -1.51 0.00 0.00 179.97 178.35 1j12 h LEU 205 N -0.42 0.66 -0.35 3.80 3.38 -1.12 -0.64 115.31 120.62 1j12 h LEU 205 Ca 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1j12 h LEU 205 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1j12 h LEU 205 CO -0.19 0.61 0.11 -0.25 0.09 0.00 0.00 178.44 178.82 1j12 h TRP 206 N 0.72 0.56 -0.09 1.13 7.01 -0.82 -0.85 115.95 123.60 1j12 h TRP 206 Ca 0.17 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1j12 h TRP 206 Cb 0.16 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1j12 h TRP 206 CO 0.01 0.54 0.03 0.28 -2.79 0.00 0.00 178.44 176.51 1j12 h VAL 207 N 0.42 1.19 -0.01 2.65 2.07 -0.57 -1.04 116.25 120.96 1j12 h VAL 207 Ca 0.11 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1j12 h VAL 207 Cb 0.24 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1j12 h VAL 207 CO -0.00 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 177.65 1j12 h LEU 208 N -0.05 0.01 -0.02 2.57 3.38 -1.03 0.86 115.31 121.03 1j12 h LEU 208 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1j12 h LEU 208 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1j12 h LEU 208 CO -0.00 0.04 -0.06 0.78 0.09 0.00 0.00 178.44 179.29 1j12 h ASN 209 N 0.01 0.09 -0.11 -0.43 -0.26 -0.85 0.56 115.58 114.59 1j12 h ASN 209 Ca 0.00 -0.60 -0.01 0.00 -0.56 0.00 0.00 56.30 55.13 1j12 h ASN 209 Cb 0.06 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1j12 h ASN 209 CO 0.00 0.68 0.06 0.50 -1.06 0.00 0.00 177.43 177.61 1j12 h LYS 210 N -0.49 0.20 0.00 0.81 3.64 -0.38 -3.18 116.57 117.17 1j12 h LYS 210 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1j12 h LYS 210 Cb 0.67 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1j12 h LYS 210 CO 0.01 0.17 -0.52 0.66 -2.27 0.00 0.00 179.45 177.51 1j12 n TYR 211 N -4.47 0.00 0.00 1.91 4.02 0.22 -5.03 117.16 113.81 1j12 n TYR 211 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1j12 n TYR 211 Cb 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1j12 n TYR 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1j12 n GLY 212 N 1.27 1.52 3.14 2.72 0.00 0.20 -4.61 105.19 109.43 1j12 n GLY 212 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1j12 n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j12 s SER 213 N 0.00 0.39 0.48 1.61 1.04 -1.26 -4.86 113.70 111.09 1j12 s SER 213 Ca 0.00 -1.15 0.15 0.00 0.48 0.00 0.00 55.95 55.43 1j12 s SER 213 Cb 0.00 0.26 1.13 0.00 0.10 0.00 0.00 66.02 67.51 1j12 s SER 213 CO 0.00 -0.69 2.07 0.25 0.98 0.00 0.00 173.24 175.85 1j12 h LEU 214 N 2.94 0.01 -0.52 2.42 5.85 -1.94 -0.67 115.31 123.39 1j12 h LEU 214 Ca -0.35 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.27 1j12 h LEU 214 Cb 1.18 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1j12 h LEU 214 CO 0.61 0.10 -0.06 0.78 -0.34 0.00 0.00 178.44 179.52 1j12 h ASN 215 N 0.02 0.96 0.97 1.25 4.21 -1.95 0.45 115.58 121.47 1j12 h ASN 215 Ca 0.00 -0.34 -0.11 0.00 1.21 0.00 0.00 56.30 57.07 1j12 h ASN 215 Cb 0.15 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1j12 h ASN 215 CO 0.01 1.07 -0.51 -0.33 -1.29 0.00 0.00 177.43 176.38 1j12 h GLU 216 N 0.83 0.00 -0.14 0.81 4.39 -1.51 -2.16 114.58 116.80 1j12 h GLU 216 Ca 0.14 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1j12 h GLU 216 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1j12 h GLU 216 CO 0.04 0.51 -0.19 0.28 -1.16 0.00 0.00 179.01 178.48 1j12 h VAL 217 N 0.00 1.36 0.00 3.13 2.07 -0.82 -2.08 116.25 119.91 1j12 h VAL 217 Ca -0.01 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1j12 h VAL 217 Cb 1.13 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1j12 h VAL 217 CO 0.07 0.41 -0.07 0.78 0.02 0.00 0.00 177.57 178.78 1j12 h ASN 218 N -0.01 0.00 0.07 0.57 2.35 -0.85 0.24 115.58 117.95 1j12 h ASN 218 Ca 0.02 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1j12 h ASN 218 Cb 0.75 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.13 1j12 h ASN 218 CO 0.05 0.07 -0.48 0.50 -1.65 0.00 0.00 177.43 175.91 1j12 h LYS 219 N 0.00 0.20 -0.02 0.81 3.64 -1.20 -0.49 116.57 119.50 1j12 h LYS 219 Ca -0.00 -0.31 -0.17 0.00 -1.27 0.00 0.00 60.65 58.90 1j12 h LYS 219 Cb 0.39 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1j12 h LYS 219 CO 0.01 1.12 -0.74 0.00 -2.27 0.00 0.00 179.45 177.57 1j12 h ALA 220 N 0.10 0.72 0.00 5.00 0.00 -1.23 -3.25 119.26 120.60 1j12 h ALA 220 Ca -0.08 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 1j12 h ALA 220 Cb 1.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1j12 h ALA 220 CO 0.09 0.84 -0.97 -1.49 0.00 0.00 0.00 179.25 177.73 1j12 h TRP 221 N 0.10 0.00 -4.16 0.00 4.06 -1.06 -3.44 115.95 111.45 1j12 h TRP 221 Ca -0.02 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.73 1j12 h TRP 221 Cb 1.30 0.00 0.10 0.00 -1.00 0.00 0.00 29.16 29.56 1j12 h TRP 221 CO 0.02 0.18 -0.45 0.41 -3.56 0.00 0.00 178.44 175.03 1j12 n GLY 222 N 1.23 -0.03 3.39 1.49 0.00 -0.24 -4.76 105.19 106.27 1j12 n GLY 222 Ca -0.02 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1j12 n GLY 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j12 s THR 223 N -3.21 0.99 -0.60 2.61 -4.23 -0.92 -5.05 115.64 105.23 1j12 s THR 223 Ca 0.01 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1j12 s THR 223 Cb -0.00 -2.69 0.37 0.00 1.34 0.00 0.00 72.50 71.52 1j12 s THR 223 CO 0.43 -0.05 1.24 0.29 -0.54 0.00 0.00 174.62 176.00 1j12 n LYS 224 N -0.58 3.50 -1.86 3.99 4.76 -1.26 -4.72 118.16 121.97 1j12 n LYS 224 Ca -0.02 -4.53 -0.42 0.00 -2.87 0.00 0.00 58.31 50.47 1j12 n LYS 224 Cb 0.66 -2.27 -0.03 0.00 -1.84 0.00 0.00 35.03 31.55 1j12 n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1j12 s LEU 225 N -3.67 4.38 0.19 -0.35 1.43 -1.26 -4.91 118.68 114.49 1j12 s LEU 225 Ca 0.48 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1j12 s LEU 225 Cb 0.34 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 43.09 1j12 s LEU 225 CO -0.19 -0.93 1.45 -0.29 0.23 0.00 0.00 176.35 176.61 1j12 h ILE 226 N 4.96 1.40 -3.38 -0.59 2.10 -1.96 -3.48 117.51 116.55 1j12 h ILE 226 Ca -0.44 -2.18 -0.02 0.00 1.08 0.00 0.00 64.86 63.30 1j12 h ILE 226 Cb 1.21 2.14 -0.07 0.00 -1.09 0.00 0.00 36.82 39.01 1j12 h ILE 226 CO 0.94 0.65 0.04 -0.94 -1.08 0.00 0.00 178.15 177.76 1j12 s SER 227 N -6.95 -0.07 0.36 2.19 1.04 -1.26 -5.04 113.70 103.97 1j12 s SER 227 Ca -0.05 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.56 1j12 s SER 227 Cb 0.11 0.67 0.67 0.00 0.10 0.00 0.00 66.02 67.57 1j12 s SER 227 CO 0.83 -1.29 1.92 -0.33 0.98 0.00 0.00 173.24 175.35 1j12 h GLU 228 N 2.13 0.51 0.00 4.02 3.07 -1.97 -0.24 114.58 122.09 1j12 h GLU 228 Ca -0.24 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1j12 h GLU 228 Cb 1.25 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1j12 h GLU 228 CO 0.32 0.49 0.00 1.28 -1.40 0.00 0.00 179.01 179.70 1j12 n LEU 229 N -4.32 0.00 0.05 1.33 7.99 -1.26 -0.90 117.00 119.89 1j12 n LEU 229 Ca 0.02 0.49 0.13 0.00 -0.01 0.00 0.00 56.01 56.63 1j12 n LEU 229 Cb 0.20 -0.49 0.31 0.00 -0.11 0.00 0.00 43.42 43.33 1j12 n LEU 229 CO 0.38 -0.34 0.59 0.00 -1.51 0.00 0.00 177.39 176.52 1j12 n ALA 230 N -1.49 2.78 -2.61 -1.18 0.00 -0.10 -4.73 120.51 113.18 1j12 n ALA 230 Ca 0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1j12 n ALA 230 Cb 0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1j12 n ALA 230 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j12 s ILE 231 N -3.10 4.38 0.24 0.00 1.01 -0.07 -4.98 121.20 118.68 1j12 s ILE 231 Ca 0.09 1.39 -0.10 0.00 0.00 0.00 0.00 60.65 62.04 1j12 s ILE 231 Cb 0.15 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 1j12 s ILE 231 CO 0.66 -0.74 0.40 -0.76 0.00 0.00 0.00 174.94 174.49 1j12 s LEU 232 N 3.99 0.54 0.88 2.97 1.43 -1.26 -4.70 118.68 122.52 1j12 s LEU 232 Ca 0.45 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 1j12 s LEU 232 Cb -0.10 1.43 0.12 0.00 0.03 0.00 0.00 46.19 47.67 1j12 s LEU 232 CO 0.24 -1.08 1.17 -2.16 0.23 0.00 0.00 176.35 174.75 1j12 s PRO 233 N -4.02 1.41 -0.19 1.29 0.04 -1.26 -4.95 135.00 127.33 1j12 s PRO 233 Ca 0.27 0.17 -0.41 0.00 0.04 0.00 0.00 61.00 61.06 1j12 s PRO 233 Cb 0.01 -1.88 -0.18 0.00 0.04 0.00 0.00 34.50 32.49 1j12 s PRO 233 CO 0.10 -1.99 1.50 -2.30 0.04 0.00 0.00 177.00 174.35 1j12 n PRO 234 N -3.60 0.69 -0.13 0.56 -0.02 -1.26 -4.90 135.00 126.35 1j12 n PRO 234 Ca 0.08 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.69 1j12 n PRO 234 Cb 0.60 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 1j12 n PRO 234 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j12 h SER 235 N 5.35 0.83 -3.59 2.55 4.64 -2.01 -3.40 113.55 117.92 1j12 h SER 235 Ca -0.47 -0.39 -0.61 0.00 -0.47 0.00 0.00 61.79 59.85 1j12 h SER 235 Cb 1.35 -0.23 -0.38 0.00 -0.31 0.00 0.00 62.40 62.84 1j12 h SER 235 CO 0.87 1.04 -0.79 -0.62 -0.87 0.00 0.00 176.83 176.46 1j12 s ASP 236 N -6.50 3.75 0.53 4.97 2.15 -1.26 -4.99 116.67 115.31 1j12 s ASP 236 Ca -0.12 -1.11 0.20 0.00 0.43 0.00 0.00 52.55 51.95 1j12 s ASP 236 Cb 0.10 -1.19 1.40 0.00 -0.30 0.00 0.00 42.92 42.94 1j12 s ASP 236 CO 0.83 -0.22 2.16 1.23 -0.17 0.00 0.00 175.17 179.00 1j12 h GLY 237 N 7.96 0.00 0.56 2.66 0.00 -1.98 -2.08 103.07 110.19 1j12 h GLY 237 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1j12 h GLY 237 CO 0.42 0.00 -0.07 -2.09 0.00 0.00 0.00 176.54 174.80 1j12 h GLU 238 N 0.00 0.13 -0.22 4.80 4.81 -1.95 -0.31 114.58 121.84 1j12 h GLU 238 Ca -0.00 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1j12 h GLU 238 Cb 0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1j12 h GLU 238 CO 0.00 0.63 -0.24 -0.56 -0.73 0.00 0.00 179.01 178.12 1j12 h GLN 239 N -0.36 0.40 -0.12 1.92 -0.00 -1.95 -0.83 115.11 114.16 1j12 h GLN 239 Ca 0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1j12 h GLN 239 Cb 0.62 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.06 1j12 h GLN 239 CO 0.02 0.62 0.05 0.35 -0.00 0.00 0.00 178.83 179.87 1j12 h PHE 240 N 0.36 0.18 0.00 0.06 3.57 -1.33 -0.40 116.94 119.38 1j12 h PHE 240 Ca 0.06 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1j12 h PHE 240 Cb 0.62 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1j12 h PHE 240 CO 0.02 0.26 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.16 1j12 h LEU 241 N 0.05 0.00 0.05 0.59 3.38 -0.75 0.21 115.31 118.84 1j12 h LEU 241 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1j12 h LEU 241 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1j12 h LEU 241 CO -0.00 0.13 -0.45 0.24 0.09 0.00 0.00 178.44 178.45 1j12 h MET 242 N 0.00 0.22 0.00 1.13 2.86 -0.57 -3.39 114.93 115.17 1j12 h MET 242 Ca -0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1j12 h MET 242 Cb 0.46 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1j12 h MET 242 CO 0.02 1.08 0.00 0.27 1.06 0.00 0.00 176.91 179.33 1j12 n ASN 243 N -4.35 0.00 -0.15 1.22 0.23 -0.25 -4.89 115.26 107.07 1j12 n ASN 243 Ca -0.11 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 53.95 1j12 n ASN 243 Cb 0.64 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.63 1j12 n ASN 243 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1j12 h GLY 244 N 0.00 0.90 2.00 4.83 0.00 -0.00 -2.27 103.07 108.53 1j12 h GLY 244 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1j12 h GLY 244 CO 0.00 0.35 0.00 0.10 0.00 0.00 0.00 176.54 176.99 1j12 h TYR 245 N 0.86 0.00 0.00 5.60 -0.00 -0.96 -2.22 116.97 120.25 1j12 h TYR 245 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.91 1j12 h TYR 245 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.66 1j12 h TYR 245 CO 0.00 0.00 -0.23 -0.07 -0.00 0.00 0.00 178.16 177.86 1j12 h LEU 246 N 0.00 0.00-10.39 0.10 3.38 -1.69 -3.32 115.31 103.39 1j12 h LEU 246 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1j12 h LEU 246 Cb 0.14 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.00 1j12 h LEU 246 CO 0.00 0.23 0.34 -0.94 0.09 0.00 0.00 178.44 178.16 1j12 s SER 247 N -6.27 4.70 0.28 -0.43 1.04 -0.83 -4.86 113.70 107.33 1j12 s SER 247 Ca 0.04 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.86 1j12 s SER 247 Cb 0.07 -2.17 0.41 0.00 0.10 0.00 0.00 66.02 64.43 1j12 s SER 247 CO 0.68 -1.85 1.86 -0.03 0.98 0.00 0.00 173.24 174.89 1j12 h MET 248 N -1.00 0.91 -0.00 4.02 4.05 -1.88 -0.99 114.93 120.04 1j12 h MET 248 Ca -0.46 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 58.83 1j12 h MET 248 Cb 1.25 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 1j12 h MET 248 CO 0.58 0.75 -0.09 -0.92 0.23 0.00 0.00 176.91 177.46 1j12 h TYR 249 N 0.90 -0.23 -0.61 1.39 3.20 -1.85 -1.86 116.97 117.91 1j12 h TYR 249 Ca 0.21 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 1j12 h TYR 249 Cb 0.18 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1j12 h TYR 249 CO 0.01 -0.14 0.32 0.78 -1.64 0.00 0.00 178.16 177.50 1j12 h GLY 250 N -0.16 0.87 1.61 1.82 0.00 -1.46 -0.93 103.07 104.82 1j12 h GLY 250 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1j12 h GLY 250 CO -0.10 0.14 -0.13 0.50 0.00 0.00 0.00 176.54 176.95 1j12 h LYS 251 N 0.61 0.48 -0.28 4.80 1.57 -1.03 -1.31 116.57 121.41 1j12 h LYS 251 Ca 0.27 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1j12 h LYS 251 Cb 0.17 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1j12 h LYS 251 CO -0.17 0.61 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.54 1j12 h ASP 252 N 0.44 0.78 -0.28 0.86 3.32 -0.84 -2.04 116.42 118.66 1j12 h ASP 252 Ca 0.08 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1j12 h ASP 252 Cb 0.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1j12 h ASP 252 CO 0.03 1.11 0.10 0.22 -1.72 0.00 0.00 179.24 178.99 1j12 h TYR 253 N 0.46 0.44 0.00 4.55 3.20 -0.95 -1.65 116.97 123.03 1j12 h TYR 253 Ca 0.04 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1j12 h TYR 253 Cb 0.92 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1j12 h TYR 253 CO 0.07 0.45 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.58 1j12 h LEU 254 N 0.30 0.00 -0.18 2.82 3.38 -1.28 0.19 115.31 120.54 1j12 h LEU 254 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1j12 h LEU 254 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1j12 h LEU 254 CO -0.01 0.40 -0.08 -0.08 0.09 0.00 0.00 178.44 178.76 1j12 h GLU 255 N 0.00 0.37 0.10 1.13 4.81 -1.18 -0.98 114.58 118.83 1j12 h GLU 255 Ca -0.00 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1j12 h GLU 255 Cb 0.75 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1j12 h GLU 255 CO 0.05 0.67 -0.05 2.35 -0.73 0.00 0.00 179.01 181.31 1j12 h TRP 256 N 0.06 -0.12 -0.35 0.92 7.01 -1.07 0.21 115.95 122.61 1j12 h TRP 256 Ca 0.04 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.11 1j12 h TRP 256 Cb 0.56 0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.59 1j12 h TRP 256 CO 0.06 0.10 -0.12 -0.92 -2.79 0.00 0.00 178.44 174.77 1j12 h TYR 257 N -0.32 -0.26 -0.13 2.65 3.20 -0.61 -1.76 116.97 119.74 1j12 h TYR 257 Ca -0.01 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 1j12 h TYR 257 Cb 0.27 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1j12 h TYR 257 CO -0.01 -0.19 -0.65 0.37 -1.64 0.00 0.00 178.16 176.05 1j12 h GLN 258 N -0.04 0.48 -0.98 1.82 4.15 -1.13 -3.20 115.11 116.21 1j12 h GLN 258 Ca 0.17 -0.35 0.21 0.00 0.77 0.00 0.00 58.65 59.46 1j12 h GLN 258 Cb 0.30 0.06 -0.09 0.00 0.21 0.00 0.00 27.48 27.96 1j12 h GLN 258 CO -0.39 0.97 0.62 0.78 -1.93 0.00 0.00 178.83 178.88 1j12 h GLY 259 N 1.16 1.36 0.84 2.39 0.00 0.28 -0.02 103.07 109.08 1j12 h GLY 259 Ca -0.01 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1j12 h GLY 259 CO 0.12 -0.05 0.43 -2.22 0.00 0.00 0.00 176.54 174.81 1j12 h ILE 260 N 0.57 1.07 -0.31 2.60 1.08 -1.42 0.96 117.51 122.07 1j12 h ILE 260 Ca 0.54 -0.28 -0.15 0.00 -0.39 0.00 0.00 64.86 64.58 1j12 h ILE 260 Cb 1.11 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1j12 h ILE 260 CO -0.29 0.15 -0.41 -0.07 -0.69 0.00 0.00 178.15 176.84 1j12 h LEU 261 N 0.83 0.82 -0.72 1.44 3.38 -1.18 -0.73 115.31 119.15 1j12 h LEU 261 Ca 0.28 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1j12 h LEU 261 Cb 0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1j12 h LEU 261 CO -0.12 1.12 0.26 -0.33 0.09 0.00 0.00 178.44 179.46 1j12 h GLU 262 N 0.62 1.09 -0.32 1.13 5.08 -0.71 -1.00 114.58 120.49 1j12 h GLU 262 Ca 0.05 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1j12 h GLU 262 Cb 0.96 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1j12 h GLU 262 CO 0.09 0.92 -0.33 -0.91 -1.00 0.00 0.00 179.01 177.77 1j12 h ASN 263 N 1.04 0.73 -0.58 1.42 2.35 -0.69 -2.86 115.58 117.00 1j12 h ASN 263 Ca 0.24 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1j12 h ASN 263 Cb 0.25 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1j12 h ASN 263 CO -0.01 1.00 0.32 -0.74 -1.65 0.00 0.00 177.43 176.35 1j12 h HIS 264 N 0.59 0.80 -0.54 1.19 2.76 -0.63 -1.97 115.15 117.35 1j12 h HIS 264 Ca 0.06 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1j12 h HIS 264 Cb 0.85 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 1j12 h HIS 264 CO 0.04 0.58 0.31 1.15 -1.30 0.00 0.00 177.93 178.71 1j12 h THR 265 N 0.78 1.03 -0.79 6.26 2.02 -1.07 -2.11 112.91 119.03 1j12 h THR 265 Ca 0.20 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1j12 h THR 265 Cb 0.05 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1j12 h THR 265 CO -0.03 0.11 0.36 0.11 0.37 0.00 0.00 175.52 176.44 1j12 h LYS 266 N 0.61 1.14 0.36 6.66 1.57 -1.27 -0.98 116.57 124.67 1j12 h LYS 266 Ca 0.22 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1j12 h LYS 266 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1j12 h LYS 266 CO -0.11 0.90 -0.17 1.25 -0.57 0.00 0.00 179.45 180.74 1j12 h LEU 267 N 1.12 -0.41 -0.92 2.94 5.85 -0.87 -2.28 115.31 120.73 1j12 h LEU 267 Ca 0.27 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1j12 h LEU 267 Cb 0.14 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1j12 h LEU 267 CO -0.03 -0.18 -0.25 0.16 -0.34 0.00 0.00 178.44 177.80 1j12 h ILE 268 N -0.63 1.27 -0.66 4.05 3.07 -1.39 -1.57 117.51 121.65 1j12 h ILE 268 Ca -0.05 -1.28 0.03 0.00 1.55 0.00 0.00 64.86 65.11 1j12 h ILE 268 Cb 0.46 1.35 -0.04 0.00 -0.27 0.00 0.00 36.82 38.31 1j12 h ILE 268 CO 0.08 0.41 0.41 1.23 -1.05 0.00 0.00 178.15 179.23 1j12 h GLY 269 N 1.02 0.94 0.85 0.16 0.00 -1.13 0.02 103.07 104.93 1j12 h GLY 269 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1j12 h GLY 269 CO 0.05 0.27 -0.12 -2.09 0.00 0.00 0.00 176.54 174.65 1j12 h GLU 270 N 0.81 -0.34 -0.83 4.80 4.81 -1.13 -1.57 114.58 121.13 1j12 h GLU 270 Ca 0.26 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 1j12 h GLU 270 Cb 0.00 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1j12 h GLU 270 CO -0.10 -0.12 0.49 -0.07 -0.73 0.00 0.00 179.01 178.49 1j12 h LEU 271 N -0.50 0.74 -0.27 1.64 3.38 -1.02 -1.53 115.31 117.75 1j12 h LEU 271 Ca -0.04 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1j12 h LEU 271 Cb 0.38 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1j12 h LEU 271 CO 0.06 0.45 -0.39 0.00 0.09 0.00 0.00 178.44 178.65 1j12 h ALA 272 N 1.42 0.41 -0.36 1.53 0.00 -0.96 -2.38 119.26 118.92 1j12 h ALA 272 Ca 0.38 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1j12 h ALA 272 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1j12 h ALA 272 CO -0.21 0.50 0.17 0.45 0.00 0.00 0.00 179.25 180.16 1j12 h HIS 273 N 0.47 0.53 -0.54 0.00 3.86 -0.98 0.16 115.15 118.65 1j12 h HIS 273 Ca 0.03 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1j12 h HIS 273 Cb 0.98 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 1j12 h HIS 273 CO 0.08 0.46 0.27 -0.91 0.86 0.00 0.00 177.93 178.69 1j12 h ASN 274 N 0.45 0.67 0.95 2.45 2.35 -1.32 -0.06 115.58 121.07 1j12 h ASN 274 Ca 0.12 -0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.60 1j12 h ASN 274 Cb 0.14 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1j12 h ASN 274 CO -0.01 0.56 -1.06 0.00 -1.65 0.00 0.00 177.43 175.27 1j12 h ALA 275 N 1.55 0.37 0.00 -0.83 0.00 -0.90 -3.41 119.26 116.04 1j12 h ALA 275 Ca 0.19 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1j12 h ALA 275 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1j12 h ALA 275 CO -0.03 1.26 -1.29 1.19 0.00 0.00 0.00 179.25 180.39 1j12 n PHE 276 N -3.34 0.00 -0.02 0.00 0.99 0.51 -4.79 117.46 110.80 1j12 n PHE 276 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.40 1j12 n PHE 276 Cb 0.95 -0.16 -0.02 0.00 -1.00 0.00 0.00 39.48 39.25 1j12 n PHE 276 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1j12 h ASP 277 N 0.00 -0.45 -0.58 4.37 3.32 -1.18 -0.45 116.42 121.45 1j12 h ASP 277 Ca -0.03 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1j12 h ASP 277 Cb 0.46 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1j12 h ASP 277 CO 0.00 -0.10 0.36 0.71 -1.72 0.00 0.00 179.24 178.49 1j12 h THR 278 N -0.11 1.16 0.07 0.35 1.35 -1.87 -0.71 112.91 113.15 1j12 h THR 278 Ca 0.01 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1j12 h THR 278 Cb 0.15 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1j12 h THR 278 CO -0.13 0.17 -0.03 0.74 -0.25 0.00 0.00 175.52 176.01 1j12 h THR 279 N 0.80 0.00 0.11 6.82 2.02 -1.84 -3.41 112.91 117.42 1j12 h THR 279 Ca 0.21 -0.88 -0.33 0.00 0.77 0.00 0.00 66.41 66.18 1j12 h THR 279 Cb -0.05 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.35 1j12 h THR 279 CO -0.04 0.00 -1.77 -0.26 0.37 0.00 0.00 175.52 173.82 1j12 h PHE 280 N -0.97 0.43 -6.07 3.16 -1.00 -1.17 -3.49 116.94 107.82 1j12 h PHE 280 Ca -0.01 -0.31 -0.42 0.00 2.81 0.00 0.00 57.97 60.04 1j12 h PHE 280 Cb 0.07 -0.02 0.05 0.00 3.61 0.00 0.00 35.95 39.67 1j12 h PHE 280 CO 0.00 1.51 -0.81 1.04 -1.61 0.00 0.00 178.31 178.44 1j12 n GLN 281 N -3.41 -5.20 -4.46 1.51 6.02 -0.27 -5.00 117.38 106.56 1j12 n GLN 281 Ca -0.23 0.64 -0.23 0.00 -0.01 0.00 0.00 57.00 57.16 1j12 n GLN 281 Cb 1.05 -5.29 -0.10 0.00 1.02 0.00 0.00 30.24 26.92 1j12 n GLN 281 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1j12 s VAL 282 N -3.59 2.33 0.43 5.09 -7.23 -1.26 -5.10 120.40 111.06 1j12 s VAL 282 Ca 0.10 -2.35 -0.24 0.00 -1.81 0.00 0.00 61.98 57.68 1j12 s VAL 282 Cb -0.05 -2.30 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 1j12 s VAL 282 CO 0.81 -0.41 1.18 -2.16 -0.31 0.00 0.00 175.10 174.21 1j12 s PRO 283 N -3.55 3.89 0.02 4.82 0.04 -1.26 -4.84 135.00 134.12 1j12 s PRO 283 Ca 0.29 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.25 1j12 s PRO 283 Cb -0.03 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1j12 s PRO 283 CO 0.14 -0.45 -0.25 0.42 0.04 0.00 0.00 177.00 176.89 1j12 s ILE 284 N -1.47 2.19 0.29 0.56 1.01 -1.26 -1.54 121.20 120.98 1j12 s ILE 284 Ca 0.60 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1j12 s ILE 284 Cb -0.30 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1j12 s ILE 284 CO 0.37 0.46 0.37 -0.83 0.00 0.00 0.00 174.94 175.32 1j12 s GLY 285 N -0.99 1.42 0.11 6.18 0.00 -0.51 -0.97 107.32 112.56 1j12 s GLY 285 Ca 0.11 -1.52 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 1j12 s GLY 285 CO 0.01 -1.08 0.11 0.00 0.00 0.00 0.00 173.10 172.14 1j12 s ALA 286 N -3.53 0.39 -0.02 3.20 0.00 -0.37 -1.71 121.76 119.72 1j12 s ALA 286 Ca 0.32 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1j12 s ALA 286 Cb 0.02 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1j12 s ALA 286 CO 0.17 -0.50 -0.03 0.15 0.00 0.00 0.00 175.76 175.55 1j12 s LYS 287 N -3.97 2.72 -0.08 0.00 1.02 -1.26 -1.48 119.74 116.70 1j12 s LYS 287 Ca 0.15 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.57 1j12 s LYS 287 Cb 0.06 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1j12 s LYS 287 CO -0.04 0.63 -0.21 0.42 -0.92 0.00 0.00 175.35 175.23 1j12 s ILE 288 N -0.98 2.36 0.09 2.17 1.01 -0.33 -0.30 121.20 125.22 1j12 s ILE 288 Ca 0.17 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 1j12 s ILE 288 Cb -0.11 -1.90 -0.07 0.00 0.01 0.00 0.00 42.46 40.39 1j12 s ILE 288 CO 0.07 0.56 0.66 0.00 0.00 0.00 0.00 174.94 176.23 1j12 s ALA 289 N -0.07 3.50 -0.78 9.38 0.00 -1.26 -3.96 121.76 128.56 1j12 s ALA 289 Ca -0.05 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 1j12 s ALA 289 Cb -0.14 -2.80 0.06 0.00 0.00 0.00 0.00 23.12 20.24 1j12 s ALA 289 CO 0.04 0.29 1.18 0.20 0.00 0.00 0.00 175.76 177.48 1j12 s GLY 290 N -0.85 1.23 -1.17 0.00 0.00 -1.26 -4.89 107.32 100.37 1j12 s GLY 290 Ca 0.33 -1.83 -0.07 0.00 0.00 0.00 0.00 44.72 43.14 1j12 s GLY 290 CO 0.22 2.39 1.59 -0.62 0.00 0.00 0.00 173.10 176.67 1j12 n VAL 291 N 6.21 4.82 0.56 1.40 0.31 -1.26 -4.84 118.33 125.53 1j12 n VAL 291 Ca 0.08 -5.22 0.08 0.00 -0.01 0.00 0.00 64.34 59.27 1j12 n VAL 291 Cb 0.48 -2.26 0.36 0.00 -0.91 0.00 0.00 33.84 31.51 1j12 n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j12 n HIS 292 N 2.74 0.05 -3.32 3.52 1.44 -1.26 -4.39 115.22 113.99 1j12 n HIS 292 Ca 0.32 0.02 -0.29 0.00 -2.01 0.00 0.00 57.72 55.75 1j12 n HIS 292 Cb 0.36 -0.53 -0.03 0.00 0.12 0.00 0.00 29.99 29.90 1j12 n HIS 292 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1j12 s TRP 293 N -3.02 3.47 -1.64 -1.40 -2.14 -1.26 -1.28 118.94 111.67 1j12 s TRP 293 Ca 0.08 0.70 0.00 0.00 2.66 0.00 0.00 56.10 59.53 1j12 s TRP 293 Cb 0.11 -2.14 0.00 0.00 -3.10 0.00 0.00 33.47 28.33 1j12 s TRP 293 CO 0.31 0.17 0.00 1.04 -2.66 0.00 0.00 176.95 175.81 1j12 n GLN 294 N -0.83 -1.11 0.23 3.25 1.13 0.19 -3.97 117.38 116.27 1j12 n GLN 294 Ca -0.01 1.02 -0.14 0.00 -1.94 0.00 0.00 57.00 55.93 1j12 n GLN 294 Cb 0.54 -5.21 -0.08 0.00 0.11 0.00 0.00 30.24 25.60 1j12 n GLN 294 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1j12 h TYR 295 N 0.00 -0.56 -0.86 1.08 3.20 -1.36 0.58 116.97 119.04 1j12 h TYR 295 Ca -0.33 -0.01 -0.58 0.00 3.14 0.00 0.00 58.73 60.95 1j12 h TYR 295 Cb 1.05 0.19 -0.32 0.00 1.54 0.00 0.00 36.73 39.19 1j12 h TYR 295 CO 0.44 -0.24 0.26 0.27 -1.64 0.00 0.00 178.16 177.24 1j12 n ASN 296 N -5.25 6.07 -4.68 -2.11 6.94 -1.20 -2.62 115.26 112.41 1j12 n ASN 296 Ca -0.11 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.26 1j12 n ASN 296 Cb 0.30 -0.74 -0.03 0.00 -2.36 0.00 0.00 39.78 36.95 1j12 n ASN 296 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1j12 s ASN 297 N -2.39 7.03 0.19 0.53 3.84 -1.24 -4.93 114.94 117.97 1j12 s ASN 297 Ca 0.58 1.79 -0.11 0.00 0.21 0.00 0.00 52.86 55.33 1j12 s ASN 297 Cb 0.47 -2.55 0.20 0.00 -0.55 0.00 0.00 41.25 38.81 1j12 s ASN 297 CO 0.01 -0.62 1.77 1.55 -2.79 0.00 0.00 177.10 177.03 1j12 h PRO 298 N 7.59 0.46 0.15 0.43 0.13 -1.94 -2.28 132.00 136.54 1j12 h PRO 298 Ca -0.33 -0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.45 1j12 h PRO 298 Cb 1.15 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1j12 h PRO 298 CO 0.90 0.30 -1.67 1.79 -0.23 0.00 0.00 178.00 179.09 1j12 h THR 299 N 0.47 1.01 -2.42 1.56 1.35 -1.96 -3.40 112.91 109.52 1j12 h THR 299 Ca 0.26 -2.64 -0.60 0.00 -0.55 0.00 0.00 66.41 62.89 1j12 h THR 299 Cb 0.23 2.74 -0.41 0.00 -1.73 0.00 0.00 68.15 68.97 1j12 h THR 299 CO -0.22 0.83 -0.67 2.30 -0.25 0.00 0.00 175.52 177.51 1j12 n ILE 300 N -3.50 1.60 -1.70 6.82 -5.35 -1.23 -4.30 119.36 111.70 1j12 n ILE 300 Ca -0.21 -4.88 -0.44 0.00 -0.27 0.00 0.00 62.75 56.95 1j12 n ILE 300 Cb 1.06 -2.08 -0.04 0.00 -1.74 0.00 0.00 39.64 36.84 1j12 n ILE 300 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1j12 n PRO 301 N 1.33 2.51 -3.70 6.28 -0.04 -0.86 -2.12 135.00 138.41 1j12 n PRO 301 Ca 0.26 0.91 -0.26 0.00 -0.04 0.00 0.00 63.50 64.36 1j12 n PRO 301 Cb 0.41 -2.72 0.05 0.00 -0.04 0.00 0.00 33.50 31.20 1j12 n PRO 301 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1j12 n HIS 302 N 3.87 -2.60 0.22 0.54 8.25 0.15 -4.86 115.22 120.78 1j12 n HIS 302 Ca 0.17 0.94 0.08 0.00 -0.26 0.00 0.00 57.72 58.64 1j12 n HIS 302 Cb 0.32 -4.55 0.36 0.00 1.12 0.00 0.00 29.99 27.24 1j12 n HIS 302 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j12 n GLY 303 N -1.85 -0.87 0.10 -1.41 0.00 -0.90 -1.98 105.19 98.28 1j12 n GLY 303 Ca 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1j12 n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j12 n ALA 304 N -1.66 1.55 0.19 4.61 0.00 -1.25 -1.08 120.51 122.86 1j12 n ALA 304 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 53.44 52.30 1j12 n ALA 304 Cb 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 1j12 n ALA 304 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1j12 h GLU 305 N 0.00 -0.47 -0.55 0.00 5.08 -1.67 -3.17 114.58 113.80 1j12 h GLU 305 Ca -0.48 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1j12 h GLU 305 Cb 1.87 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 31.13 1j12 h GLU 305 CO -0.04 -0.16 -0.03 0.87 -1.00 0.00 0.00 179.01 178.65 1j12 h LYS 306 N -0.81 0.08 0.00 2.33 1.57 -1.44 -0.49 116.57 117.82 1j12 h LYS 306 Ca -0.05 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1j12 h LYS 306 Cb 0.53 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1j12 h LYS 306 CO 0.08 0.05 -0.18 -1.35 -0.57 0.00 0.00 179.45 177.49 1j12 h PRO 307 N 0.09 0.00 0.00 3.15 0.11 -1.80 -1.09 132.00 132.45 1j12 h PRO 307 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1j12 h PRO 307 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1j12 h PRO 307 CO -0.49 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 177.48 1j12 n ALA 308 N -2.36 1.95 0.00 -0.75 0.00 -0.25 -4.53 120.51 114.56 1j12 n ALA 308 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j12 n ALA 308 Cb 0.27 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1j12 n ALA 308 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j12 n GLY 309 N 0.61 0.73 3.35 0.00 0.00 -0.41 -0.83 105.19 108.63 1j12 n GLY 309 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1j12 n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j12 s TYR 310 N -2.00 3.69 -0.17 1.61 2.02 -0.82 -4.51 117.35 117.17 1j12 s TYR 310 Ca 0.00 -1.94 0.12 0.00 -0.37 0.00 0.00 57.07 54.88 1j12 s TYR 310 Cb 0.00 -3.90 -0.19 0.00 -0.40 0.00 0.00 41.96 37.48 1j12 s TYR 310 CO 0.00 -1.07 0.01 -1.71 -1.57 0.00 0.00 175.55 171.21 1j12 n ASN 311 N 4.32 1.31 -3.47 2.29 4.05 -1.26 -3.54 115.26 118.96 1j12 n ASN 311 Ca 0.16 -0.02 -0.24 0.00 0.45 0.00 0.00 54.58 54.93 1j12 n ASN 311 Cb 0.47 0.66 -0.12 0.00 1.23 0.00 0.00 39.78 42.02 1j12 n ASN 311 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1j12 s ASP 312 N -5.16 2.68 0.37 1.20 -1.08 -1.26 -5.02 116.67 108.40 1j12 s ASP 312 Ca -0.12 -1.24 0.05 0.00 -0.52 0.00 0.00 52.55 50.72 1j12 s ASP 312 Cb 0.05 -0.00 0.70 0.00 -1.46 0.00 0.00 42.92 42.21 1j12 s ASP 312 CO 0.62 -0.39 1.97 1.88 0.52 0.00 0.00 175.17 179.76 1j12 h TYR 313 N 8.10 0.59 -0.24 -5.34 -1.99 -1.97 -1.98 116.97 114.14 1j12 h TYR 313 Ca -0.13 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.57 1j12 h TYR 313 Cb 1.03 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 1j12 h TYR 313 CO 0.31 0.46 0.08 1.03 -0.00 0.00 0.00 178.16 180.04 1j12 h SER 314 N 0.60 0.34 -0.62 3.88 0.87 -1.99 0.31 113.55 116.93 1j12 h SER 314 Ca 0.15 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 1j12 h SER 314 Cb 0.10 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1j12 h SER 314 CO -0.02 0.43 0.07 -0.74 -0.53 0.00 0.00 176.83 176.04 1j12 h HIS 315 N 0.22 1.14 -0.52 2.24 6.17 -1.96 -2.47 115.15 119.97 1j12 h HIS 315 Ca 0.08 -0.17 -0.05 0.00 0.71 0.00 0.00 60.37 60.93 1j12 h HIS 315 Cb 0.21 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1j12 h HIS 315 CO -0.00 0.98 0.11 1.25 0.71 0.00 0.00 177.93 180.98 1j12 h LEU 316 N 0.97 0.81 -1.90 0.26 5.85 -1.16 -2.61 115.31 117.52 1j12 h LEU 316 Ca 0.19 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1j12 h LEU 316 Cb 0.48 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1j12 h LEU 316 CO 0.02 0.84 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.77 1j12 h LEU 317 N 0.74 0.00 -1.32 2.25 3.38 -0.75 -1.79 115.31 117.81 1j12 h LEU 317 Ca 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1j12 h LEU 317 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1j12 h LEU 317 CO 0.00 0.12 -0.26 0.44 0.09 0.00 0.00 178.44 178.84 1j12 h ASP 318 N 0.00 0.11 -0.28 -0.43 3.32 -1.04 -2.36 116.42 115.74 1j12 h ASP 318 Ca -0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1j12 h ASP 318 Cb 0.31 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1j12 h ASP 318 CO 0.02 0.38 -0.12 0.00 -1.72 0.00 0.00 179.24 177.80 1j12 h ALA 319 N 1.63 1.05 -0.29 3.45 0.00 -1.31 -2.02 119.26 121.76 1j12 h ALA 319 Ca 0.02 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1j12 h ALA 319 Cb 0.53 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1j12 h ALA 319 CO 0.04 0.58 -0.48 0.74 0.00 0.00 0.00 179.25 180.12 1j12 h PHE 320 N 0.64 0.98 -0.06 0.00 -1.00 -1.46 -1.52 116.94 114.51 1j12 h PHE 320 Ca 0.11 -0.33 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 1j12 h PHE 320 Cb 0.58 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1j12 h PHE 320 CO 0.03 1.12 0.02 -0.22 -1.61 0.00 0.00 178.31 177.65 1j12 h LYS 321 N 0.63 0.10 -0.05 1.51 3.64 -1.25 -0.20 116.57 120.95 1j12 h LYS 321 Ca 0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1j12 h LYS 321 Cb 1.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1j12 h LYS 321 CO 0.11 0.28 -0.33 0.66 -2.27 0.00 0.00 179.45 177.89 1j12 h SER 322 N -0.10 0.10 0.82 4.20 4.64 -1.40 -2.09 113.55 119.72 1j12 h SER 322 Ca 0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1j12 h SER 322 Cb 0.22 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1j12 h SER 322 CO -0.00 0.44 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1j12 n ALA 323 N -2.47 2.31 -3.26 5.18 0.00 -0.57 -4.92 120.51 116.77 1j12 n ALA 323 Ca -0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1j12 n ALA 323 Cb 0.40 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.47 1j12 n ALA 323 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j12 n LYS 324 N -1.43 -5.88 -5.12 0.00 5.02 -0.70 -4.59 118.16 105.45 1j12 n LYS 324 Ca 0.09 0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 56.82 1j12 n LYS 324 Cb 0.29 -5.42 -0.16 0.00 -0.02 0.00 0.00 35.03 29.72 1j12 n LYS 324 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j12 s LEU 325 N -5.86 2.02 0.45 -0.35 1.43 -0.17 -4.71 118.68 111.49 1j12 s LEU 325 Ca 0.06 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1j12 s LEU 325 Cb -0.03 -1.24 -0.09 0.00 0.03 0.00 0.00 46.19 44.86 1j12 s LEU 325 CO 0.63 0.22 1.01 -1.81 0.23 0.00 0.00 176.35 176.62 1j12 s ASP 326 N -0.10 6.63 0.04 2.29 1.01 -0.15 -4.51 116.67 121.88 1j12 s ASP 326 Ca -0.03 1.86 0.03 0.00 0.71 0.00 0.00 52.55 55.11 1j12 s ASP 326 Cb -0.13 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1j12 s ASP 326 CO 0.03 -0.58 0.02 0.54 0.21 0.00 0.00 175.17 175.39 1j12 s VAL 327 N -1.99 4.24 -0.07 -1.27 0.11 -0.76 -1.23 120.40 119.42 1j12 s VAL 327 Ca 0.64 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1j12 s VAL 327 Cb -0.15 -2.97 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1j12 s VAL 327 CO 0.19 0.24 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.14 1j12 s THR 328 N -1.23 1.48 0.21 5.04 2.01 -0.55 -1.49 115.64 121.12 1j12 s THR 328 Ca 0.24 -0.69 0.11 0.00 0.31 0.00 0.00 61.69 61.65 1j12 s THR 328 Cb -0.12 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1j12 s THR 328 CO 0.15 0.43 -0.21 0.12 -0.69 0.00 0.00 174.62 174.42 1j12 s PHE 329 N 0.45 2.18 0.49 4.92 5.36 -0.72 -1.18 117.98 129.47 1j12 s PHE 329 Ca -0.14 -0.38 0.04 0.00 -0.96 0.00 0.00 56.93 55.49 1j12 s PHE 329 Cb -0.16 -1.04 0.04 0.00 -0.34 0.00 0.00 43.02 41.52 1j12 s PHE 329 CO 0.05 0.52 0.37 0.25 -1.46 0.00 0.00 175.22 174.95 1j12 n THR 330 N 0.01 0.00 -1.02 0.12 -2.24 -1.25 -1.67 114.28 108.23 1j12 n THR 330 Ca -0.11 -1.94 -0.01 0.00 -2.27 0.00 0.00 64.05 59.73 1j12 n THR 330 Cb 0.57 -0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1j12 n THR 330 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j12 h LEU 332 N 0.00 0.00 -1.01 0.00 3.38 -1.87 -0.25 115.31 115.55 1j12 h LEU 332 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j12 h LEU 332 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1j12 h LEU 332 CO 0.02 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.71 1j12 n GLU 333 N -3.86 1.68 -3.52 1.13 0.00 -1.26 -3.87 120.64 110.93 1j12 n GLU 333 Ca 0.12 -1.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.02 1j12 n GLU 333 Cb 0.78 -1.42 -0.02 0.00 0.00 0.00 0.00 31.44 30.78 1j12 n GLU 333 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1j12 s MET 334 N -1.87 3.51 0.17 3.44 -1.94 -0.11 -4.85 119.30 117.65 1j12 s MET 334 Ca 0.34 -0.33 0.11 0.00 -1.71 0.00 0.00 55.69 54.10 1j12 s MET 334 Cb 0.19 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1j12 s MET 334 CO 0.29 0.26 -0.24 0.95 -0.01 0.00 0.00 175.02 176.27 1j12 s THR 335 N -2.12 2.19 0.33 2.05 -4.23 -1.26 -4.15 115.64 108.44 1j12 s THR 335 Ca 0.40 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.72 1j12 s THR 335 Cb -0.10 -2.00 -0.10 0.00 1.34 0.00 0.00 72.50 71.64 1j12 s THR 335 CO 0.32 -0.09 1.25 -1.81 -0.54 0.00 0.00 174.62 173.76 1j12 s ASP 336 N -2.45 6.84 0.04 3.99 1.01 -1.26 -4.50 116.67 120.34 1j12 s ASP 336 Ca 0.17 2.58 -0.01 0.00 0.71 0.00 0.00 52.55 56.00 1j12 s ASP 336 Cb -0.08 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.20 1j12 s ASP 336 CO 0.08 -0.47 -0.01 0.29 0.21 0.00 0.00 175.17 175.27 1j12 n LYS 337 N 0.81 0.02 -1.65 8.23 4.76 -0.00 -5.01 118.16 125.31 1j12 n LYS 337 Ca 0.00 0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1j12 n LYS 337 Cb 0.43 -0.27 -0.05 0.00 -1.84 0.00 0.00 35.03 33.29 1j12 n LYS 337 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j12 n GLY 338 N 3.36 1.12 3.68 0.72 0.00 0.12 -4.89 105.19 109.30 1j12 n GLY 338 Ca -0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 1j12 n GLY 338 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j12 s SER 339 N -2.71 4.72 0.45 1.61 1.04 -1.26 -4.71 113.70 112.84 1j12 s SER 339 Ca 0.00 -0.57 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 1j12 s SER 339 Cb 0.00 -0.95 -0.08 0.00 0.10 0.00 0.00 66.02 65.09 1j12 s SER 339 CO 0.00 -0.00 1.33 -0.47 0.98 0.00 0.00 173.24 175.08 1j12 s TYR 340 N -2.26 2.65 -1.44 5.02 6.14 -1.26 0.11 117.35 126.31 1j12 s TYR 340 Ca 0.31 1.38 0.24 0.00 0.64 0.00 0.00 57.07 59.65 1j12 s TYR 340 Cb -0.07 -3.72 0.27 0.00 0.42 0.00 0.00 41.96 38.87 1j12 s TYR 340 CO 0.21 -2.36 1.25 -0.35 0.64 0.00 0.00 175.55 174.94 1j12 n PRO 341 N -0.21 0.50 0.07 4.97 -0.04 -1.26 -4.83 135.00 134.20 1j12 n PRO 341 Ca 0.05 -0.36 -0.11 0.00 -0.04 0.00 0.00 63.50 63.04 1j12 n PRO 341 Cb 0.44 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 1j12 n PRO 341 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1j12 h GLU 342 N 0.88 0.11 -6.62 0.54 3.07 -1.85 -3.47 114.58 107.24 1j12 h GLU 342 Ca 0.00 -0.18 -0.52 0.00 -0.50 0.00 0.00 59.36 58.15 1j12 h GLU 342 Cb 0.56 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.48 1j12 h GLU 342 CO 0.00 1.04 -0.93 0.66 -1.40 0.00 0.00 179.01 178.38 1j12 n TYR 343 N -3.39 -1.58 -3.45 4.33 4.02 0.12 -0.64 117.16 116.57 1j12 n TYR 343 Ca -0.06 0.60 -0.38 0.00 -0.01 0.00 0.00 57.90 58.05 1j12 n TYR 343 Cb 0.99 -3.40 -0.08 0.00 -0.02 0.00 0.00 39.34 36.82 1j12 n TYR 343 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1j12 s SER 344 N -4.14 6.37 -0.56 7.72 1.04 -1.26 -1.39 113.70 121.47 1j12 s SER 344 Ca 0.13 0.42 0.07 0.00 0.48 0.00 0.00 55.95 57.05 1j12 s SER 344 Cb -0.06 -2.20 0.28 0.00 0.10 0.00 0.00 66.02 64.14 1j12 s SER 344 CO 0.92 -0.04 0.75 0.23 0.98 0.00 0.00 173.24 176.07 1j12 n MET 345 N 4.43 2.25 -0.14 4.02 2.81 -0.41 -0.70 117.12 129.38 1j12 n MET 345 Ca -0.10 -4.37 -0.09 0.00 -1.81 0.00 0.00 57.70 51.33 1j12 n MET 345 Cb 0.51 -2.03 0.04 0.00 -0.71 0.00 0.00 33.22 31.04 1j12 n MET 345 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1j12 h PRO 346 N 3.80 0.92 -0.41 0.03 0.13 -1.79 -2.34 132.00 132.35 1j12 h PRO 346 Ca 0.15 -0.36 -0.15 0.00 -0.87 0.00 0.00 66.00 64.77 1j12 h PRO 346 Cb 0.69 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1j12 h PRO 346 CO 0.74 1.02 -0.32 -0.22 -0.23 0.00 0.00 178.00 179.00 1j12 h LYS 347 N 0.81 0.92 -0.42 0.86 3.64 -1.81 -1.11 116.57 119.46 1j12 h LYS 347 Ca 0.12 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1j12 h LYS 347 Cb 0.73 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1j12 h LYS 347 CO 0.06 1.10 0.05 1.15 -2.27 0.00 0.00 179.45 179.54 1j12 h THR 348 N 0.77 1.25 -0.01 1.00 2.02 -1.93 -2.35 112.91 113.65 1j12 h THR 348 Ca 0.08 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.37 1j12 h THR 348 Cb 0.90 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1j12 h THR 348 CO 0.08 0.32 -0.17 0.25 0.37 0.00 0.00 175.52 176.36 1j12 h LEU 349 N 0.56 -0.51 -0.12 2.58 6.46 -1.23 -1.84 115.31 121.21 1j12 h LEU 349 Ca 0.13 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1j12 h LEU 349 Cb 0.40 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1j12 h LEU 349 CO 0.01 -0.24 -0.04 0.58 -0.62 0.00 0.00 178.44 178.13 1j12 h VAL 350 N -0.28 0.85 0.00 1.05 2.07 -1.09 -2.18 116.25 116.66 1j12 h VAL 350 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1j12 h VAL 350 Cb 0.36 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1j12 h VAL 350 CO -0.17 0.00 -0.10 0.06 0.02 0.00 0.00 177.57 177.38 1j12 h GLN 351 N -0.02 0.00 0.12 1.57 3.07 -1.25 -0.71 115.11 117.89 1j12 h GLN 351 Ca 0.06 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.52 1j12 h GLN 351 Cb 0.11 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.69 1j12 h GLN 351 CO -0.13 0.10 -1.23 -0.91 0.09 0.00 0.00 178.83 176.74 1j12 h ASN 352 N 0.00 0.67 -0.15 0.06 2.35 -0.88 -2.48 115.58 115.15 1j12 h ASN 352 Ca -0.00 -0.65 -0.07 0.00 -0.55 0.00 0.00 56.30 55.03 1j12 h ASN 352 Cb 0.41 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1j12 h ASN 352 CO 0.01 1.48 -0.19 0.40 -1.65 0.00 0.00 177.43 177.48 1j12 h ILE 353 N 0.18 1.35 -0.83 2.81 1.08 -1.09 -1.99 117.51 119.02 1j12 h ILE 353 Ca -0.16 -1.38 0.08 0.00 -0.39 0.00 0.00 64.86 63.01 1j12 h ILE 353 Cb 1.91 1.90 -0.06 0.00 -3.07 0.00 0.00 36.82 37.51 1j12 h ILE 353 CO 0.22 0.41 0.54 0.00 -0.69 0.00 0.00 178.15 178.63 1j12 h ALA 354 N 0.60 1.64 0.08 1.87 0.00 -1.22 0.38 119.26 122.61 1j12 h ALA 354 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j12 h ALA 354 Cb 0.74 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1j12 h ALA 354 CO 0.04 0.21 -0.04 1.15 0.00 0.00 0.00 179.25 180.62 1j12 h THR 355 N 0.86 1.15 -0.37 0.00 2.02 -1.34 -2.15 112.91 113.07 1j12 h THR 355 Ca 0.37 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1j12 h THR 355 Cb 0.32 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1j12 h THR 355 CO -0.14 0.21 0.11 -0.07 0.37 0.00 0.00 175.52 176.00 1j12 h LEU 356 N -0.49 0.09 -0.07 2.58 3.38 -0.78 -0.82 115.31 119.20 1j12 h LEU 356 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j12 h LEU 356 Cb 0.42 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1j12 h LEU 356 CO 0.02 0.09 0.01 0.00 0.09 0.00 0.00 178.44 178.65 1j12 h ALA 357 N 1.26 0.07 -0.82 1.53 0.00 -0.97 -2.25 119.26 118.07 1j12 h ALA 357 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1j12 h ALA 357 Cb 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1j12 h ALA 357 CO -0.20 -0.46 0.43 -0.91 0.00 0.00 0.00 179.25 178.11 1j12 h ASN 358 N 0.05 1.05 0.75 0.00 2.35 -1.07 -0.79 115.58 117.91 1j12 h ASN 358 Ca 0.03 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1j12 h ASN 358 Cb 0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1j12 h ASN 358 CO -0.04 0.87 0.00 -1.84 -1.65 0.00 0.00 177.43 174.77 1j12 n GLU 359 N -4.37 0.13 -0.00 0.81 0.28 -0.34 -2.19 120.64 114.96 1j12 n GLU 359 Ca 0.08 0.32 0.09 0.00 -0.16 0.00 0.00 57.16 57.49 1j12 n GLU 359 Cb 0.12 -1.72 -0.11 0.00 1.43 0.00 0.00 31.44 31.15 1j12 n GLU 359 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1j12 n LYS 360 N -1.95 0.60 -1.75 3.44 5.02 -0.60 -4.98 118.16 117.93 1j12 n LYS 360 Ca 0.03 -0.01 -0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1j12 n LYS 360 Cb 0.24 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1j12 n LYS 360 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j12 n GLY 361 N 1.45 0.37 3.72 0.72 0.00 -0.43 -5.04 105.19 105.99 1j12 n GLY 361 Ca 0.03 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1j12 n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j12 s ILE 362 N -2.01 5.25 -0.01 -0.61 1.01 -0.45 -5.03 121.20 119.34 1j12 s ILE 362 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 1j12 s ILE 362 Cb 0.00 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1j12 s ILE 362 CO 0.00 0.35 1.42 -0.69 0.00 0.00 0.00 174.94 176.03 1j12 s VAL 363 N 0.57 3.71 -0.13 2.92 1.01 -1.26 -4.40 120.40 122.81 1j12 s VAL 363 Ca 0.21 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 1j12 s VAL 363 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1j12 s VAL 363 CO 0.07 -0.02 -0.01 -0.22 0.00 0.00 0.00 175.10 174.93 1j12 s LEU 364 N 2.61 3.47 0.25 3.92 2.96 -1.26 -1.84 118.68 128.78 1j12 s LEU 364 Ca 0.64 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.62 1j12 s LEU 364 Cb -0.31 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1j12 s LEU 364 CO 0.26 0.25 -0.06 0.20 -1.32 0.00 0.00 176.35 175.68 1j12 s ASN 365 N -0.09 2.41 0.08 3.68 -0.87 -0.55 -0.53 114.94 119.08 1j12 s ASN 365 Ca 0.03 -1.16 -0.06 0.00 -1.57 0.00 0.00 52.86 50.10 1j12 s ASN 365 Cb -0.13 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.25 40.98 1j12 s ASN 365 CO 0.02 -0.37 0.12 -0.83 -2.57 0.00 0.00 177.10 173.48 1j12 s GLY 366 N -3.37 0.24 -0.04 0.66 0.00 -0.79 -1.76 107.32 102.26 1j12 s GLY 366 Ca 0.27 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 44.04 1j12 s GLY 366 CO 0.10 -0.98 0.28 -1.83 0.00 0.00 0.00 173.10 170.67 1j12 s GLU 367 N -3.89 0.56 0.59 2.90 -1.05 -0.67 -0.31 118.70 116.82 1j12 s GLU 367 Ca 0.06 -0.06 -0.18 0.00 -0.15 0.00 0.00 54.97 54.64 1j12 s GLU 367 Cb 0.06 0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 1j12 s GLU 367 CO -0.10 -0.14 1.14 0.54 0.95 0.00 0.00 175.26 177.66 1j12 s ASN 368 N -0.95 5.42 -0.11 0.83 4.22 -1.22 -2.67 114.94 120.46 1j12 s ASN 368 Ca -0.10 2.19 -0.28 0.00 -2.14 0.00 0.00 52.86 52.53 1j12 s ASN 368 Cb -0.05 -2.58 -0.26 0.00 1.28 0.00 0.00 41.25 39.65 1j12 s ASN 368 CO 0.03 -1.42 0.85 0.00 -2.04 0.00 0.00 177.10 174.52 1j12 h ALA 369 N 0.83 -0.00 -1.86 3.54 0.00 -1.91 -3.43 119.26 116.42 1j12 h ALA 369 Ca -0.49 -0.49 -0.54 0.00 0.00 0.00 0.00 54.91 53.39 1j12 h ALA 369 Cb 1.27 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 1j12 h ALA 369 CO 0.56 0.01 -0.60 -0.51 0.00 0.00 0.00 179.25 178.71 1j12 s LEU 370 N -8.32 2.46 0.33 0.00 1.43 -1.26 -5.00 118.68 108.32 1j12 s LEU 370 Ca -0.18 -1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 51.25 1j12 s LEU 370 Cb -0.02 -0.59 -0.12 0.00 0.03 0.00 0.00 46.19 45.49 1j12 s LEU 370 CO 0.70 -0.55 1.35 -1.20 0.23 0.00 0.00 176.35 176.89 1j12 n SER 371 N -0.82 2.97 -4.49 2.29 7.64 -1.26 -4.94 113.62 115.02 1j12 n SER 371 Ca -0.04 1.20 -0.41 0.00 1.01 0.00 0.00 58.87 60.64 1j12 n SER 371 Cb 0.67 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.26 1j12 n SER 371 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1j12 s ILE 372 N -0.86 5.09 -0.13 0.44 1.01 -1.26 -4.95 121.20 120.54 1j12 s ILE 372 Ca 0.58 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.92 1j12 s ILE 372 Cb -0.56 -3.67 -0.23 0.00 0.01 0.00 0.00 42.46 38.00 1j12 s ILE 372 CO 0.60 -0.07 0.33 0.61 0.00 0.00 0.00 174.94 176.40 1j12 n GLY 373 N 5.08 -0.84 3.82 6.18 0.00 -1.26 -5.00 105.19 113.18 1j12 n GLY 373 Ca -0.12 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1j12 n GLY 373 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j12 s ASN 374 N -6.15 4.85 0.29 1.61 2.20 -1.26 -5.00 114.94 111.47 1j12 s ASN 374 Ca -0.13 -0.82 0.15 0.00 -0.94 0.00 0.00 52.86 51.12 1j12 s ASN 374 Cb 0.07 -0.61 0.25 0.00 -2.00 0.00 0.00 41.25 38.97 1j12 s ASN 374 CO 0.79 -0.55 1.53 -0.08 -2.94 0.00 0.00 177.10 175.85 1j12 h GLU 375 N 1.23 0.00 0.00 3.55 4.81 -1.99 -3.22 114.58 118.96 1j12 h GLU 375 Ca -0.42 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1j12 h GLU 375 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1j12 h GLU 375 CO 0.62 0.54 -0.08 0.93 -0.73 0.00 0.00 179.01 180.29 1j12 h GLU 376 N 0.00 0.00 -0.05 1.92 4.39 -1.99 -1.28 114.58 117.57 1j12 h GLU 376 Ca -0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1j12 h GLU 376 Cb 1.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1j12 h GLU 376 CO 0.07 0.08 -0.93 0.93 -1.16 0.00 0.00 179.01 178.00 1j12 h GLU 377 N 0.00 0.64 -0.77 2.33 3.07 -1.90 -2.79 114.58 115.17 1j12 h GLU 377 Ca -0.00 -0.63 -0.03 0.00 -0.50 0.00 0.00 59.36 58.20 1j12 h GLU 377 Cb 0.29 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1j12 h GLU 377 CO 0.01 1.23 0.35 1.88 -1.40 0.00 0.00 179.01 181.08 1j12 h TYR 378 N 0.39 1.13 -0.34 4.33 0.05 -1.40 -1.67 116.97 119.47 1j12 h TYR 378 Ca -0.09 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.59 1j12 h TYR 378 Cb 1.57 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 1j12 h TYR 378 CO 0.08 0.84 0.08 0.87 -1.05 0.00 0.00 178.16 178.98 1j12 h LYS 379 N 1.09 0.49 -0.21 4.88 1.57 -1.29 -0.75 116.57 122.34 1j12 h LYS 379 Ca 0.26 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1j12 h LYS 379 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1j12 h LYS 379 CO -0.03 0.46 -0.53 0.00 -0.57 0.00 0.00 179.45 178.78 1j12 h ARG 380 N 0.48 0.61 -0.22 3.15 3.08 -1.07 -2.48 114.38 117.94 1j12 h ARG 380 Ca 0.11 -0.38 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1j12 h ARG 380 Cb 0.20 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1j12 h ARG 380 CO -0.00 0.99 -0.08 0.28 -1.07 0.00 0.00 179.97 180.09 1j12 h VAL 381 N 0.48 1.29 -0.90 2.04 2.07 -0.87 -2.82 116.25 117.55 1j12 h VAL 381 Ca 0.01 -1.10 0.13 0.00 0.82 0.00 0.00 66.70 66.56 1j12 h VAL 381 Cb 1.08 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 1j12 h VAL 381 CO 0.10 0.34 0.52 0.00 0.02 0.00 0.00 177.57 178.55 1j12 h ALA 382 N 0.73 1.34 -0.14 1.67 0.00 -1.08 0.14 119.26 121.92 1j12 h ALA 382 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j12 h ALA 382 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j12 h ALA 382 CO 0.03 0.07 0.07 1.49 0.00 0.00 0.00 179.25 180.90 1j12 h GLU 383 N 0.80 0.20 0.02 0.00 4.81 -1.32 -0.57 114.58 118.53 1j12 h GLU 383 Ca 0.46 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1j12 h GLU 383 Cb 0.53 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1j12 h GLU 383 CO -0.30 0.25 -0.01 0.52 -0.73 0.00 0.00 179.01 178.74 1j12 h MET 384 N 0.11 -0.03 0.38 1.92 2.86 -1.13 -2.40 114.93 116.64 1j12 h MET 384 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1j12 h MET 384 Cb 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1j12 h MET 384 CO -0.01 0.34 -0.30 0.00 1.06 0.00 0.00 176.91 178.00 1j12 h ALA 385 N 0.55 -0.69 0.00 6.32 0.00 -0.75 0.26 119.26 124.96 1j12 h ALA 385 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1j12 h ALA 385 Cb 0.39 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1j12 h ALA 385 CO 0.01 -0.91 0.00 1.19 0.00 0.00 0.00 179.25 179.53 1j12 n PHE 386 N -5.43 0.00 -0.01 0.00 0.99 -0.22 -1.88 117.46 110.91 1j12 n PHE 386 Ca -0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.39 1j12 n PHE 386 Cb 0.33 -0.41 -0.07 0.00 -1.00 0.00 0.00 39.48 38.33 1j12 n PHE 386 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1j12 n ASN 387 N -1.41 2.81 -0.91 4.37 3.02 -0.90 -4.01 115.26 118.23 1j12 n ASN 387 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.69 1j12 n ASN 387 Cb 0.26 1.41 0.23 0.00 -0.61 0.00 0.00 39.78 41.07 1j12 n ASN 387 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1j12 n TYR 388 N -1.85 0.93 -3.18 3.10 4.02 0.06 -1.78 117.16 118.47 1j12 n TYR 388 Ca -0.02 -1.09 -0.17 0.00 -0.01 0.00 0.00 57.90 56.61 1j12 n TYR 388 Cb 0.27 -0.36 0.05 0.00 -0.02 0.00 0.00 39.34 39.28 1j12 n TYR 388 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1j12 n ASN 389 N -0.75 -5.15 -4.70 7.72 5.15 -1.22 -4.90 115.26 111.41 1j12 n ASN 389 Ca 0.24 -0.35 -0.42 0.00 -0.60 0.00 0.00 54.58 53.45 1j12 n ASN 389 Cb 0.92 -3.80 -0.03 0.00 -0.53 0.00 0.00 39.78 36.34 1j12 n ASN 389 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1j12 s PHE 390 N -3.18 3.24 0.04 1.20 0.40 -0.79 -4.69 117.98 114.20 1j12 s PHE 390 Ca 0.38 1.14 0.15 0.00 -0.60 0.00 0.00 56.93 58.00 1j12 s PHE 390 Cb -0.17 -3.50 0.29 0.00 0.51 0.00 0.00 43.02 40.15 1j12 s PHE 390 CO 0.47 -1.67 1.55 0.00 0.70 0.00 0.00 175.22 176.26 1j12 h ALA 391 N 7.16 0.77 -2.90 5.36 0.00 -1.14 -3.42 119.26 125.09 1j12 h ALA 391 Ca -0.39 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1j12 h ALA 391 Cb 1.19 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1j12 h ALA 391 CO 0.85 0.66 0.07 0.20 0.00 0.00 0.00 179.25 181.03 1j12 s GLY 392 N -4.46 -0.05 -0.08 0.00 0.00 -1.25 -1.52 107.32 99.97 1j12 s GLY 392 Ca 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.43 1j12 s GLY 392 CO 0.73 -0.24 0.17 -0.12 0.00 0.00 0.00 173.10 173.64 1j12 s PHE 393 N -3.89 -0.21 -0.19 1.90 5.36 -0.71 -1.89 117.98 118.35 1j12 s PHE 393 Ca 0.11 0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 56.61 1j12 s PHE 393 Cb -0.02 -0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.54 1j12 s PHE 393 CO 0.00 -0.21 0.03 0.99 -1.46 0.00 0.00 175.22 174.57 1j12 s THR 394 N 1.45 4.32 -0.26 0.12 2.01 0.57 -0.44 115.64 123.41 1j12 s THR 394 Ca -0.07 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 1j12 s THR 394 Cb -0.11 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1j12 s THR 394 CO -0.07 0.44 0.35 -0.22 -0.69 0.00 0.00 174.62 174.44 1j12 s LEU 395 N 0.68 4.05 -0.31 4.42 2.96 0.26 -3.43 118.68 127.31 1j12 s LEU 395 Ca 0.01 0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.08 1j12 s LEU 395 Cb -0.14 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 1j12 s LEU 395 CO 0.02 -0.15 0.29 -0.76 -1.32 0.00 0.00 176.35 174.43 1j12 s LEU 396 N 1.91 4.24 0.19 -0.68 1.02 -1.26 -1.30 118.68 122.80 1j12 s LEU 396 Ca 0.15 -0.08 -0.12 0.00 0.02 0.00 0.00 54.13 54.09 1j12 s LEU 396 Cb -0.16 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.80 1j12 s LEU 396 CO 0.09 -0.20 0.39 -0.60 0.02 0.00 0.00 176.35 176.06 1j12 s ARG 397 N 1.90 1.32 0.00 1.70 3.52 -1.26 -4.41 118.95 121.71 1j12 s ARG 397 Ca 0.10 -1.13 -0.00 0.00 -0.13 0.00 0.00 55.73 54.57 1j12 s ARG 397 Cb -0.16 0.43 -0.00 0.00 -1.56 0.00 0.00 34.95 33.66 1j12 s ARG 397 CO 0.11 -0.52 0.06 0.98 -0.81 0.00 0.00 175.30 175.12 1j12 n TYR 398 N -0.29 -0.01 0.11 5.12 9.36 0.61 -0.46 117.16 131.60 1j12 n TYR 398 Ca -0.06 0.02 0.16 0.00 3.32 0.00 0.00 57.90 61.34 1j12 n TYR 398 Cb 0.63 -0.15 0.70 0.00 -0.63 0.00 0.00 39.34 39.88 1j12 n TYR 398 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 1j12 h GLN 399 N 0.00 0.00 -0.16 2.98 -0.00 -1.96 -2.01 115.11 113.97 1j12 h GLN 399 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1j12 h GLN 399 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 1j12 h GLN 399 CO -0.01 0.00 0.00 -0.44 -0.00 0.00 0.00 178.83 178.38 1j12 h ASP 400 N 0.00 -0.06 0.25 0.06 3.32 -1.14 -2.57 116.42 116.27 1j12 h ASP 400 Ca 0.15 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1j12 h ASP 400 Cb 0.62 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1j12 h ASP 400 CO -0.00 -0.01 -1.87 1.33 -1.72 0.00 0.00 179.24 176.97 1j12 n VAL 401 N -5.12 0.64 -0.04 -1.35 0.24 -1.19 -3.87 118.33 107.63 1j12 n VAL 401 Ca -0.03 -0.63 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 1j12 n VAL 401 Cb 0.09 -0.29 0.22 0.00 -1.47 0.00 0.00 33.84 32.38 1j12 n VAL 401 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1j12 h MET 402 N 0.00 0.63 -0.50 7.34 -1.53 -1.37 -2.72 114.93 116.78 1j12 h MET 402 Ca -0.17 -0.17 0.00 0.00 -3.44 0.00 0.00 59.70 55.92 1j12 h MET 402 Cb 1.42 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 32.40 1j12 h MET 402 CO 0.02 0.69 0.00 0.66 0.14 0.00 0.00 176.91 178.42 1j12 n TYR 403 N -4.22 1.20 -3.44 1.39 0.53 -0.97 -4.76 117.16 106.89 1j12 n TYR 403 Ca 0.02 -0.65 -0.26 0.00 -1.02 0.00 0.00 57.90 55.98 1j12 n TYR 403 Cb 0.30 -0.23 -0.11 0.00 -1.03 0.00 0.00 39.34 38.27 1j12 n TYR 403 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1j12 s ASN 404 N -1.15 2.51 0.31 7.72 3.84 -1.02 -5.01 114.94 122.14 1j12 s ASN 404 Ca 0.44 -1.93 0.02 0.00 0.21 0.00 0.00 52.86 51.61 1j12 s ASN 404 Cb 0.30 -0.12 0.59 0.00 -0.55 0.00 0.00 41.25 41.46 1j12 s ASN 404 CO 0.19 -0.31 1.89 0.78 -2.79 0.00 0.00 177.10 176.86 1j12 h ASN 405 N 7.16 0.86 0.28 -4.21 4.21 -1.86 0.73 115.58 122.76 1j12 h ASN 405 Ca 0.03 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 1j12 h ASN 405 Cb 1.00 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.03 1j12 h ASN 405 CO 0.26 0.51 -0.20 0.28 -1.29 0.00 0.00 177.43 177.00 1j12 h SER 406 N 0.96 -0.50 -0.09 5.81 0.02 -1.95 0.19 113.55 117.99 1j12 h SER 406 Ca 0.42 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1j12 h SER 406 Cb 0.36 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1j12 h SER 406 CO -0.18 -0.31 0.05 -0.07 -1.14 0.00 0.00 176.83 175.18 1j12 h LEU 407 N -0.47 0.08 -0.90 5.07 3.38 -1.78 -2.06 115.31 118.63 1j12 h LEU 407 Ca -0.02 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.08 1j12 h LEU 407 Cb 0.41 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 1j12 h LEU 407 CO 0.01 0.06 0.51 -0.03 0.09 0.00 0.00 178.44 179.09 1j12 h MET 408 N 0.11 0.74 -0.40 1.13 4.05 -0.63 0.07 114.93 120.00 1j12 h MET 408 Ca 0.03 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 1j12 h MET 408 Cb -0.01 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1j12 h MET 408 CO -0.01 0.49 -0.21 0.78 0.23 0.00 0.00 176.91 178.19 1j12 h GLY 409 N 0.77 0.86 1.70 1.39 0.00 -0.26 -2.16 103.07 105.37 1j12 h GLY 409 Ca 0.47 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1j12 h GLY 409 CO -0.32 0.66 -0.57 0.50 0.00 0.00 0.00 176.54 176.82 1j12 h LYS 410 N 0.69 0.31 -0.12 4.80 1.79 -0.54 -2.71 116.57 120.79 1j12 h LYS 410 Ca 0.10 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1j12 h LYS 410 Cb 0.73 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1j12 h LYS 410 CO 0.06 0.79 0.08 0.35 -1.08 0.00 0.00 179.45 179.65 1j12 h PHE 411 N 0.24 0.16 0.02 -1.35 3.57 -0.70 0.08 116.94 118.95 1j12 h PHE 411 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1j12 h PHE 411 Cb 1.07 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1j12 h PHE 411 CO 0.03 0.11 -0.28 -0.22 -2.23 0.00 0.00 178.31 175.71 1j12 h LYS 412 N 0.16 -0.42 -0.27 1.11 3.64 -1.30 0.31 116.57 119.80 1j12 h LYS 412 Ca 0.04 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1j12 h LYS 412 Cb -0.01 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1j12 h LYS 412 CO -0.01 -0.28 0.12 0.22 -2.27 0.00 0.00 179.45 177.23 1j12 h ASP 413 N -0.44 0.17 0.03 4.20 -0.00 -1.34 -2.89 116.42 116.16 1j12 h ASP 413 Ca 0.06 0.02 -0.09 0.00 -0.00 0.00 0.00 57.03 57.01 1j12 h ASP 413 Cb 0.51 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 39.83 1j12 h ASP 413 CO -0.23 0.14 -0.44 -0.07 -0.00 0.00 0.00 179.24 178.64 1j12 h LEU 414 N 0.27 0.11 0.00 2.28 3.38 -0.72 -3.44 115.31 117.19 1j12 h LEU 414 Ca 0.11 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1j12 h LEU 414 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1j12 h LEU 414 CO -0.09 1.19 -1.07 0.18 0.09 0.00 0.00 178.44 178.74 1j12 n LEU 415 N -4.45 0.00 -3.40 1.67 4.77 0.90 -4.80 117.00 111.70 1j12 n LEU 415 Ca -0.15 -0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.41 1j12 n LEU 415 Cb 0.60 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1j12 n LEU 415 CO 0.35 0.00 2.79 0.61 -1.33 0.00 0.00 177.39 179.80 1j12 n GLY 416 N 2.30 4.84 3.68 -0.72 0.00 -0.09 -4.72 105.19 110.48 1j12 n GLY 416 Ca -0.00 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 1j12 n GLY 416 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j12 s VAL 417 N 0.12 3.67 -0.25 1.61 -7.23 -1.26 -4.23 120.40 112.82 1j12 s VAL 417 Ca 0.60 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1j12 s VAL 417 Cb 0.19 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1j12 s VAL 417 CO -0.08 -0.33 0.04 -0.89 -0.31 0.00 0.00 175.10 173.53 1j12 s THR 418 N -2.20 3.98 -0.15 5.32 2.01 -1.26 -4.83 115.64 118.52 1j12 s THR 418 Ca 0.31 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 1j12 s THR 418 Cb -0.07 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1j12 s THR 418 CO 0.21 0.29 1.65 -2.84 -0.69 0.00 0.00 174.62 173.24 1j12 s PRO 419 N 1.55 3.94 -0.12 4.92 0.02 -1.26 -1.32 135.00 142.72 1j12 s PRO 419 Ca 0.05 1.91 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1j12 s PRO 419 Cb -0.15 -4.02 0.02 0.00 0.02 0.00 0.00 34.50 30.36 1j12 s PRO 419 CO 0.02 -1.13 -0.14 0.54 -0.33 0.00 0.00 177.00 175.96 1j12 s VAL 420 N 4.81 1.45 0.28 3.83 0.11 -0.24 -4.92 120.40 125.72 1j12 s VAL 420 Ca 0.73 -0.59 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 1j12 s VAL 420 Cb -0.29 -1.36 -0.10 0.00 -1.53 0.00 0.00 36.38 33.11 1j12 s VAL 420 CO 0.29 0.44 1.18 -0.32 -3.33 0.00 0.00 175.10 173.36 1j12 s MET 421 N 1.27 4.53 0.14 1.54 1.75 -1.26 -1.19 119.30 126.08 1j12 s MET 421 Ca -0.01 1.94 -0.01 0.00 -1.25 0.00 0.00 55.69 56.37 1j12 s MET 421 Cb -0.14 -3.16 -0.04 0.00 2.84 0.00 0.00 34.83 34.33 1j12 s MET 421 CO -0.06 0.05 0.06 -0.65 -0.65 0.00 0.00 175.02 173.77 1j12 s GLN 422 N -1.38 0.97 -0.24 4.11 -1.52 0.67 -4.39 119.66 117.88 1j12 s GLN 422 Ca 0.47 -1.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.41 1j12 s GLN 422 Cb -0.34 0.22 0.03 0.00 -0.22 0.00 0.00 33.01 32.70 1j12 s GLN 422 CO 0.44 -0.27 -0.10 0.99 -0.25 0.00 0.00 175.29 176.10 1j12 s THR 423 N -4.04 2.54 -0.12 -0.19 2.01 -1.25 -0.73 115.64 113.86 1j12 s THR 423 Ca 0.26 -1.17 -0.19 0.00 0.31 0.00 0.00 61.69 60.90 1j12 s THR 423 Cb 0.07 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1j12 s THR 423 CO 0.03 0.20 0.53 -0.63 -0.69 0.00 0.00 174.62 174.06 1j12 s ILE 424 N 1.26 5.15 -0.06 1.82 -1.09 -0.27 -0.46 121.20 127.55 1j12 s ILE 424 Ca -0.01 1.05 0.03 0.00 -2.23 0.00 0.00 60.65 59.49 1j12 s ILE 424 Cb -0.17 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1j12 s ILE 424 CO -0.06 0.29 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.10 1j12 s VAL 425 N 0.79 1.29 -0.05 2.92 1.01 0.61 -1.28 120.40 125.68 1j12 s VAL 425 Ca 0.28 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1j12 s VAL 425 Cb -0.16 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1j12 s VAL 425 CO 0.12 0.39 0.00 0.54 0.00 0.00 0.00 175.10 176.14 1j12 s VAL 426 N 0.48 0.27 0.30 2.92 0.11 0.78 0.29 120.40 125.56 1j12 s VAL 426 Ca -0.13 0.11 0.11 0.00 -2.93 0.00 0.00 61.98 59.14 1j12 s VAL 426 Cb -0.15 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1j12 s VAL 426 CO 0.04 0.20 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.35 1j12 s LYS 427 N 1.48 1.86 -0.25 1.54 1.02 0.56 -1.38 119.74 124.57 1j12 s LYS 427 Ca -0.03 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1j12 s LYS 427 Cb -0.13 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1j12 s LYS 427 CO -0.03 0.27 0.00 0.09 -0.92 0.00 0.00 175.35 174.76 1j12 n ASN 428 N -0.74 -3.33 -4.74 2.83 5.03 -1.26 0.16 115.26 113.20 1j12 n ASN 428 Ca -0.05 0.06 -0.41 0.00 0.87 0.00 0.00 54.58 55.05 1j12 n ASN 428 Cb 0.61 -1.04 -0.05 0.00 -1.02 0.00 0.00 39.78 38.29 1j12 n ASN 428 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1j12 s VAL 429 N -2.07 3.95 -0.70 2.41 -7.23 -1.26 -4.61 120.40 110.89 1j12 s VAL 429 Ca 0.00 1.79 -0.06 0.00 -1.81 0.00 0.00 61.98 61.89 1j12 s VAL 429 Cb 0.00 -4.14 -0.14 0.00 0.56 0.00 0.00 36.38 32.66 1j12 s VAL 429 CO 0.00 0.36 2.76 -2.65 -0.31 0.00 0.00 175.10 175.26 1j12 n PRO 430 N 1.97 2.32 -2.72 4.82 -0.02 -1.26 -4.94 135.00 135.17 1j12 n PRO 430 Ca 0.01 -1.36 -0.42 0.00 -2.02 0.00 0.00 63.50 59.71 1j12 n PRO 430 Cb 0.47 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1j12 n PRO 430 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1j12 s THR 431 N 2.13 4.75 0.26 3.45 2.01 -1.26 -5.04 115.64 121.94 1j12 s THR 431 Ca 0.55 2.06 0.01 0.00 0.31 0.00 0.00 61.69 64.61 1j12 s THR 431 Cb 0.19 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.39 1j12 s THR 431 CO -0.03 0.21 0.05 0.35 -0.69 0.00 0.00 174.62 174.52 1j12 n THR 432 N 3.52 0.00 -1.66 -0.82 -2.24 -1.26 -4.98 114.28 106.83 1j12 n THR 432 Ca 0.05 -1.18 -0.43 0.00 -2.27 0.00 0.00 64.05 60.22 1j12 n THR 432 Cb 0.50 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1j12 n THR 432 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1j12 n ILE 433 N -0.77 0.75 -0.03 2.28 2.08 -1.26 -0.94 119.36 121.47 1j12 n ILE 433 Ca -0.08 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1j12 n ILE 433 Cb 0.32 -2.29 0.00 0.00 -0.75 0.00 0.00 39.64 36.92 1j12 n ILE 433 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j12 n GLY 434 N 4.57 0.63 3.72 7.39 0.00 -1.26 -4.86 105.19 115.37 1j12 n GLY 434 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1j12 n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j12 s ASP 435 N -2.51 7.25 0.08 1.61 1.11 -0.12 -2.24 116.67 121.85 1j12 s ASP 435 Ca 0.00 1.50 0.07 0.00 0.18 0.00 0.00 52.55 54.30 1j12 s ASP 435 Cb 0.00 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1j12 s ASP 435 CO 0.00 -0.14 -0.13 -0.89 1.18 0.00 0.00 175.17 175.19 1j12 s THR 436 N 0.59 3.14 -0.10 -1.27 2.01 -0.26 -4.74 115.64 115.00 1j12 s THR 436 Ca 0.44 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1j12 s THR 436 Cb -0.20 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1j12 s THR 436 CO 0.24 0.21 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.59 1j12 s VAL 437 N -1.09 3.35 0.36 3.82 1.01 -1.26 -0.29 120.40 126.29 1j12 s VAL 437 Ca 0.18 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1j12 s VAL 437 Cb -0.11 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1j12 s VAL 437 CO 0.10 0.55 0.15 -0.31 0.00 0.00 0.00 175.10 175.59 1j12 s TYR 438 N -0.16 1.74 -0.00 5.22 1.51 -0.36 -1.31 117.35 123.98 1j12 s TYR 438 Ca 0.01 -1.32 -0.05 0.00 -1.01 0.00 0.00 57.07 54.69 1j12 s TYR 438 Cb -0.13 -1.03 -0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1j12 s TYR 438 CO 0.03 -0.40 0.10 0.96 -1.11 0.00 0.00 175.55 175.14 1j12 s ILE 439 N -3.36 0.08 0.17 2.71 -4.36 -0.15 -1.56 121.20 114.73 1j12 s ILE 439 Ca 0.30 -0.63 -0.13 0.00 -0.26 0.00 0.00 60.65 59.93 1j12 s ILE 439 Cb 0.04 -0.36 0.01 0.00 1.25 0.00 0.00 42.46 43.39 1j12 s ILE 439 CO 0.17 -0.34 0.39 0.28 0.24 0.00 0.00 174.94 175.67 1j12 s THR 440 N -1.18 0.05 0.15 8.37 -1.32 -1.07 -0.87 115.64 119.77 1j12 s THR 440 Ca -0.13 -1.07 -0.11 0.00 -1.21 0.00 0.00 61.69 59.17 1j12 s THR 440 Cb -0.07 -1.66 0.04 0.00 -1.51 0.00 0.00 72.50 69.30 1j12 s THR 440 CO 0.01 -0.24 0.55 0.61 -2.21 0.00 0.00 174.62 173.34 1j12 n GLY 441 N -0.26 1.06 0.25 6.08 0.00 -0.96 -2.17 105.19 109.20 1j12 n GLY 441 Ca -0.09 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 1j12 n GLY 441 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1j12 h ASN 442 N 1.14 0.73 -4.18 1.61 -1.07 -1.64 0.23 115.58 112.40 1j12 h ASN 442 Ca -0.17 -0.02 -0.48 0.00 0.07 0.00 0.00 56.30 55.70 1j12 h ASN 442 Cb 0.70 -0.18 0.03 0.00 -2.07 0.00 0.00 38.32 36.80 1j12 h ASN 442 CO 0.22 0.53 0.38 -0.13 0.07 0.00 0.00 177.43 178.50 1j12 s ARG 443 N -6.15 3.70 0.61 4.14 0.52 -1.26 -4.44 118.95 116.09 1j12 s ARG 443 Ca -0.13 1.08 0.34 0.00 -0.52 0.00 0.00 55.73 56.50 1j12 s ARG 443 Cb 0.14 -2.09 1.99 0.00 0.52 0.00 0.00 34.95 35.50 1j12 s ARG 443 CO 0.76 -0.48 2.27 0.00 0.02 0.00 0.00 175.30 177.87 1j12 h ALA 444 N 0.79 1.39 0.00 2.13 0.00 -1.91 0.39 119.26 122.05 1j12 h ALA 444 Ca -0.47 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1j12 h ALA 444 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1j12 h ALA 444 CO 0.60 -0.03 -0.45 0.93 0.00 0.00 0.00 179.25 180.29 1j12 h GLU 445 N 0.00 0.00 -0.68 0.00 3.07 -1.88 -2.79 114.58 112.30 1j12 h GLU 445 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1j12 h GLU 445 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1j12 h GLU 445 CO -0.00 0.45 0.00 1.28 -1.40 0.00 0.00 179.01 179.34 1j12 n LEU 446 N -3.78 3.69 0.00 1.33 4.77 0.06 -4.48 117.00 118.60 1j12 n LEU 446 Ca -0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 1j12 n LEU 446 Cb 0.51 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1j12 n LEU 446 CO 0.39 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 1j12 n GLY 447 N 1.56 0.74 3.90 -0.72 0.00 -1.05 -2.25 105.19 107.36 1j12 n GLY 447 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1j12 n GLY 447 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j12 n SER 448 N 0.00 -1.07 -0.77 1.61 7.64 -0.80 -1.75 113.62 118.49 1j12 n SER 448 Ca 0.00 -1.00 -0.10 0.00 1.01 0.00 0.00 58.87 58.78 1j12 n SER 448 Cb 0.00 -3.17 -0.04 0.00 -1.01 0.00 0.00 64.21 59.99 1j12 n SER 448 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1j12 n TRP 449 N -4.37 0.00 -3.11 1.43 7.02 0.76 -4.92 117.44 114.25 1j12 n TRP 449 Ca -0.28 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.80 1j12 n TRP 449 Cb 0.67 -2.50 -0.05 0.00 -2.42 0.00 0.00 31.31 27.01 1j12 n TRP 449 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1j12 s ASP 450 N -2.44 6.81 -0.01 -0.99 2.15 -0.71 -4.90 116.67 116.57 1j12 s ASP 450 Ca 0.00 0.97 0.19 0.00 0.43 0.00 0.00 52.55 54.15 1j12 s ASP 450 Cb 0.00 -2.37 -0.25 0.00 -0.30 0.00 0.00 42.92 40.00 1j12 s ASP 450 CO 0.00 -0.19 0.66 0.35 -0.17 0.00 0.00 175.17 175.82 1j12 n THR 451 N 4.24 0.00 0.01 1.71 -2.24 -1.26 -2.96 114.28 113.79 1j12 n THR 451 Ca -0.02 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.55 1j12 n THR 451 Cb 0.50 0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1j12 n THR 451 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1j12 h LYS 452 N 0.00 -0.04 0.00 -0.78 3.11 -1.98 -3.43 116.57 113.46 1j12 h LYS 452 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1j12 h LYS 452 Cb 0.63 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1j12 h LYS 452 CO 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 179.45 176.62 1j12 n GLN 453 N -2.14 1.22 0.00 1.90 10.64 -1.26 -4.85 117.38 122.89 1j12 n GLN 453 Ca -0.00 -0.31 0.02 0.00 -1.83 0.00 0.00 57.00 54.87 1j12 n GLN 453 Cb 0.01 -0.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.60 1j12 n GLN 453 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1j12 n TYR 454 N -0.26 0.00 -1.54 2.61 4.01 -1.26 -3.81 117.16 116.90 1j12 n TYR 454 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1j12 n TYR 454 Cb 0.02 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.13 1j12 n TYR 454 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1j12 s PRO 455 N -0.67 2.29 -0.23 -0.72 0.04 -1.15 0.40 135.00 134.96 1j12 s PRO 455 Ca 0.03 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1j12 s PRO 455 Cb 0.03 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1j12 s PRO 455 CO 0.07 -1.74 0.44 0.42 0.04 0.00 0.00 177.00 176.23 1j12 s ILE 456 N -1.82 5.15 -0.12 0.56 1.09 -0.05 -3.68 121.20 122.32 1j12 s ILE 456 Ca 0.76 0.76 -0.29 0.00 -1.10 0.00 0.00 60.65 60.79 1j12 s ILE 456 Cb -0.31 -3.76 -0.01 0.00 -1.06 0.00 0.00 42.46 37.31 1j12 s ILE 456 CO 0.43 0.19 0.99 -1.58 -0.10 0.00 0.00 174.94 174.86 1j12 s GLN 457 N 1.72 4.39 0.49 2.79 0.74 -0.08 -0.98 119.66 128.73 1j12 s GLN 457 Ca 0.20 1.34 0.00 0.00 0.05 0.00 0.00 55.36 56.95 1j12 s GLN 457 Cb -0.15 -3.55 0.01 0.00 1.10 0.00 0.00 33.01 30.41 1j12 s GLN 457 CO 0.09 -0.34 0.72 -0.51 -0.55 0.00 0.00 175.29 174.70 1j12 s LEU 458 N 2.11 3.50 0.11 3.68 1.43 -0.43 -4.92 118.68 124.16 1j12 s LEU 458 Ca 0.47 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.84 1j12 s LEU 458 Cb -0.18 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1j12 s LEU 458 CO 0.16 -0.87 -0.15 -0.31 0.23 0.00 0.00 176.35 175.41 1j12 s TYR 459 N -2.65 1.43 -0.40 0.29 1.51 0.90 -4.55 117.35 113.89 1j12 s TYR 459 Ca 0.52 -0.50 -0.24 0.00 -1.01 0.00 0.00 57.07 55.83 1j12 s TYR 459 Cb -0.10 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1j12 s TYR 459 CO 0.38 0.14 0.85 -0.47 -1.11 0.00 0.00 175.55 175.34 1j12 s TYR 460 N -1.76 3.05 -0.88 2.71 5.04 -1.26 -0.43 117.35 123.82 1j12 s TYR 460 Ca 0.06 0.51 -0.21 0.00 -2.44 0.00 0.00 57.07 55.00 1j12 s TYR 460 Cb -0.07 -3.62 0.10 0.00 0.35 0.00 0.00 41.96 38.72 1j12 s TYR 460 CO 0.03 -0.87 1.16 0.34 -1.34 0.00 0.00 175.55 174.87 1j12 s ASP 461 N 1.98 6.48 0.45 4.32 3.68 0.21 -4.85 116.67 128.95 1j12 s ASP 461 Ca 0.34 -1.62 0.12 0.00 2.13 0.00 0.00 52.55 53.52 1j12 s ASP 461 Cb -0.12 -2.44 1.03 0.00 -1.45 0.00 0.00 42.92 39.94 1j12 s ASP 461 CO 0.20 -1.27 2.05 0.77 0.13 0.00 0.00 175.17 177.06 1j12 h SER 462 N 9.24 0.31 0.25 -0.34 4.64 -1.94 1.83 113.55 127.53 1j12 h SER 462 Ca 0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1j12 h SER 462 Cb 1.03 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1j12 h SER 462 CO 1.19 0.21 0.00 1.41 -0.87 0.00 0.00 176.83 178.77 1j12 n HIS 463 N -4.48 0.00 -1.21 4.77 8.25 -1.26 -1.85 115.22 119.43 1j12 n HIS 463 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1j12 n HIS 463 Cb 0.19 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1j12 n HIS 463 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1j12 n SER 464 N -1.31 0.00 -3.80 0.41 3.41 -0.48 -5.07 113.62 106.77 1j12 n SER 464 Ca 0.05 -1.00 -0.26 0.00 -0.26 0.00 0.00 58.87 57.40 1j12 n SER 464 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1j12 n SER 464 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1j12 n ASN 465 N 0.00 -4.58 -2.44 4.04 3.02 0.61 -4.97 115.26 110.93 1j12 n ASN 465 Ca 0.00 -0.99 -0.08 0.00 -0.03 0.00 0.00 54.58 53.48 1j12 n ASN 465 Cb 0.38 -1.54 0.02 0.00 -0.61 0.00 0.00 39.78 38.02 1j12 n ASN 465 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1j12 n ASP 466 N -2.51 -1.74 -4.35 6.41 3.85 -0.82 -4.80 116.55 112.58 1j12 n ASP 466 Ca -0.30 -2.30 -0.32 0.00 -0.71 0.00 0.00 54.79 51.15 1j12 n ASP 466 Cb 0.67 2.92 -0.15 0.00 -1.35 0.00 0.00 41.12 43.21 1j12 n ASP 466 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 1j12 s TRP 467 N -3.54 2.67 0.34 2.11 0.52 -0.48 0.67 118.94 121.22 1j12 s TRP 467 Ca 0.14 -0.59 -0.18 0.00 0.02 0.00 0.00 56.10 55.49 1j12 s TRP 467 Cb -0.04 -1.72 0.05 0.00 -1.15 0.00 0.00 33.47 30.61 1j12 s TRP 467 CO 0.10 -0.14 0.79 -0.98 0.02 0.00 0.00 176.95 176.74 1j12 s ARG 468 N -0.04 2.02 -0.20 4.98 1.70 0.43 -0.15 118.95 127.70 1j12 s ARG 468 Ca -0.05 -1.25 -0.35 0.00 -0.47 0.00 0.00 55.73 53.62 1j12 s ARG 468 Cb -0.14 0.60 0.14 0.00 -0.57 0.00 0.00 34.95 34.98 1j12 s ARG 468 CO 0.04 -0.94 1.21 0.20 -1.08 0.00 0.00 175.30 174.74 1j12 s GLY 469 N -3.04 -0.26 -0.26 3.88 0.00 -0.41 -0.07 107.32 107.16 1j12 s GLY 469 Ca 0.14 1.73 -0.14 0.00 0.00 0.00 0.00 44.72 46.45 1j12 s GLY 469 CO 0.09 0.60 0.34 -1.31 0.00 0.00 0.00 173.10 172.83 1j12 s ASN 470 N -2.03 6.24 -0.02 1.64 0.01 -1.26 -1.12 114.94 118.40 1j12 s ASN 470 Ca 0.09 0.28 0.04 0.00 -0.71 0.00 0.00 52.86 52.55 1j12 s ASN 470 Cb -0.01 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1j12 s ASN 470 CO -0.05 -0.14 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.57 1j12 s VAL 471 N 1.89 1.13 -0.31 1.60 1.01 0.09 -4.94 120.40 120.87 1j12 s VAL 471 Ca 0.14 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1j12 s VAL 471 Cb -0.16 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1j12 s VAL 471 CO 0.09 0.33 0.67 -0.69 0.00 0.00 0.00 175.10 175.50 1j12 s VAL 472 N -0.14 4.89 0.29 2.92 1.01 -1.26 -0.24 120.40 127.87 1j12 s VAL 472 Ca 0.02 0.92 0.11 0.00 0.00 0.00 0.00 61.98 63.02 1j12 s VAL 472 Cb -0.08 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1j12 s VAL 472 CO 0.00 -0.19 -0.11 -0.76 0.00 0.00 0.00 175.10 174.05 1j12 s LEU 473 N 2.71 2.83 -0.33 3.92 1.02 -0.33 -4.29 118.68 124.20 1j12 s LEU 473 Ca 0.27 -0.92 -0.29 0.00 0.02 0.00 0.00 54.13 53.21 1j12 s LEU 473 Cb -0.15 -1.31 0.01 0.00 0.02 0.00 0.00 46.19 44.75 1j12 s LEU 473 CO 0.12 -0.02 1.30 -2.16 0.02 0.00 0.00 176.35 175.61 1j12 s PRO 474 N -3.59 3.84 0.47 1.29 0.04 -1.26 -1.08 135.00 134.71 1j12 s PRO 474 Ca 0.31 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1j12 s PRO 474 Cb -0.04 -3.90 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 1j12 s PRO 474 CO 0.17 -1.22 1.42 0.00 0.04 0.00 0.00 177.00 177.41 1j12 s ALA 475 N 4.56 3.17 -1.73 8.56 0.00 -0.44 -3.03 121.76 132.84 1j12 s ALA 475 Ca 0.56 1.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.96 1j12 s ALA 475 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1j12 s ALA 475 CO 0.25 -1.23 0.13 0.39 0.00 0.00 0.00 175.76 175.30 1j12 n GLU 476 N -0.35 -2.35 -4.51 0.00 1.02 0.80 -4.63 120.64 110.62 1j12 n GLU 476 Ca 0.06 0.99 -0.28 0.00 -0.02 0.00 0.00 57.16 57.91 1j12 n GLU 476 Cb 0.42 -5.68 -0.13 0.00 -0.02 0.00 0.00 31.44 26.03 1j12 n GLU 476 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1j12 s ARG 477 N -5.18 1.44 -0.37 3.49 1.81 -1.17 -4.77 118.95 114.20 1j12 s ARG 477 Ca 0.06 -1.24 -0.23 0.00 -1.72 0.00 0.00 55.73 52.61 1j12 s ARG 477 Cb -0.03 -1.81 0.01 0.00 -0.45 0.00 0.00 34.95 32.67 1j12 s ARG 477 CO 0.08 0.44 0.75 -0.80 -0.68 0.00 0.00 175.30 175.09 1j12 s ASN 478 N -1.79 6.51 0.21 0.23 0.01 -1.26 -0.16 114.94 118.68 1j12 s ASN 478 Ca 0.12 0.25 0.09 0.00 -0.71 0.00 0.00 52.86 52.61 1j12 s ASN 478 Cb -0.10 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1j12 s ASN 478 CO 0.05 -0.73 -0.07 0.27 -1.51 0.00 0.00 177.10 175.10 1j12 s ILE 479 N 3.04 3.23 -0.01 0.60 -4.36 -0.40 -4.95 121.20 118.36 1j12 s ILE 479 Ca 0.30 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1j12 s ILE 479 Cb -0.13 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.94 1j12 s ILE 479 CO 0.17 -0.20 -0.03 -1.61 0.24 0.00 0.00 174.94 173.52 1j12 s GLU 480 N -3.10 0.29 0.38 0.37 2.02 -1.26 -1.48 118.70 115.92 1j12 s GLU 480 Ca 0.27 -0.07 -0.14 0.00 0.02 0.00 0.00 54.97 55.05 1j12 s GLU 480 Cb -0.08 -0.33 0.05 0.00 0.10 0.00 0.00 34.13 33.87 1j12 s GLU 480 CO 0.16 0.02 0.74 -0.59 0.02 0.00 0.00 175.26 175.62 1j12 s PHE 481 N 0.21 0.25 -0.07 1.61 -0.12 0.16 -1.64 117.98 118.39 1j12 s PHE 481 Ca -0.02 -0.86 -0.28 0.00 -0.05 0.00 0.00 56.93 55.72 1j12 s PHE 481 Cb -0.05 0.70 0.06 0.00 -0.63 0.00 0.00 43.02 43.11 1j12 s PHE 481 CO -0.00 -1.50 0.63 0.15 -0.05 0.00 0.00 175.22 174.44 1j12 s LYS 482 N -2.45 0.98 0.24 1.99 1.02 -0.92 0.35 119.74 120.95 1j12 s LYS 482 Ca 0.17 0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.39 1j12 s LYS 482 Cb -0.04 0.46 -0.05 0.00 -0.52 0.00 0.00 37.83 37.67 1j12 s LYS 482 CO 0.13 -0.29 0.49 0.00 -0.92 0.00 0.00 175.35 174.76 1j12 s ALA 483 N -1.04 3.69 -0.00 5.17 0.00 -1.26 -2.59 121.76 125.72 1j12 s ALA 483 Ca -0.10 -0.58 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 1j12 s ALA 483 Cb -0.01 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 20.91 1j12 s ALA 483 CO 0.08 0.39 0.34 -0.59 0.00 0.00 0.00 175.76 175.98 1j12 s PHE 484 N -1.94 -0.21 -0.02 0.00 -0.12 -0.60 0.05 117.98 115.15 1j12 s PHE 484 Ca 0.43 0.27 -0.07 0.00 -0.05 0.00 0.00 56.93 57.50 1j12 s PHE 484 Cb -0.11 0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 1j12 s PHE 484 CO 0.28 -0.44 0.26 0.42 -0.05 0.00 0.00 175.22 175.68 1j12 s ILE 485 N -1.64 5.32 -0.19 -4.49 1.01 0.02 -1.22 121.20 120.01 1j12 s ILE 485 Ca -0.11 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1j12 s ILE 485 Cb -0.04 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.91 1j12 s ILE 485 CO 0.03 0.43 -0.17 -0.75 0.00 0.00 0.00 174.94 174.48 1j12 s LYS 486 N -1.58 2.66 0.66 2.79 2.20 0.60 -1.65 119.74 125.42 1j12 s LYS 486 Ca 0.25 -0.88 -0.16 0.00 -0.36 0.00 0.00 55.97 54.82 1j12 s LYS 486 Cb -0.13 -2.55 -0.00 0.00 -1.51 0.00 0.00 37.83 33.64 1j12 s LYS 486 CO 0.14 -0.30 1.14 0.45 -0.36 0.00 0.00 175.35 176.42 1j12 s SER 487 N 1.30 4.97 0.48 1.43 0.15 0.98 -1.11 113.70 121.89 1j12 s SER 487 Ca 0.02 2.14 0.31 0.00 0.70 0.00 0.00 55.95 59.11 1j12 s SER 487 Cb -0.15 -2.57 1.40 0.00 -1.71 0.00 0.00 66.02 62.99 1j12 s SER 487 CO -0.11 -1.73 1.74 0.07 1.20 0.00 0.00 173.24 174.41 1j12 h LYS 488 N 0.17 0.14 0.00 5.44 5.09 -1.77 0.57 116.57 126.21 1j12 h LYS 488 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.25 1j12 h LYS 488 Cb 1.26 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.56 1j12 h LYS 488 CO 0.53 0.09 0.00 -0.40 -2.09 0.00 0.00 179.45 177.59 1j12 n ASP 489 N -4.40 0.00 -0.66 7.07 3.85 -1.26 -4.82 116.55 116.33 1j12 n ASP 489 Ca 0.29 -1.18 -0.05 0.00 -0.71 0.00 0.00 54.79 53.14 1j12 n ASP 489 Cb 1.22 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.99 1j12 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j12 n GLY 490 N 0.33 0.26 3.43 6.12 0.00 0.20 -5.05 105.19 110.48 1j12 n GLY 490 Ca 0.07 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1j12 n GLY 490 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j12 s THR 491 N -2.40 2.60 -0.13 2.61 -4.23 -1.12 -4.90 115.64 108.08 1j12 s THR 491 Ca 0.03 -1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 1j12 s THR 491 Cb -0.01 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1j12 s THR 491 CO 0.03 0.25 1.45 -0.69 -0.54 0.00 0.00 174.62 175.11 1j12 s VAL 492 N -0.98 3.96 -0.17 2.29 1.01 -1.26 -0.02 120.40 125.23 1j12 s VAL 492 Ca 0.15 1.15 -0.13 0.00 0.00 0.00 0.00 61.98 63.14 1j12 s VAL 492 Cb -0.10 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 1j12 s VAL 492 CO 0.06 -0.13 -0.11 1.17 0.00 0.00 0.00 175.10 176.09 1j12 n LYS 493 N 6.93 0.50 -3.73 2.72 4.81 -0.66 -4.91 118.16 123.81 1j12 n LYS 493 Ca 0.16 0.50 -0.10 0.00 -0.87 0.00 0.00 58.31 57.99 1j12 n LYS 493 Cb 0.44 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.78 1j12 n LYS 493 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1j12 s SER 494 N -6.13 -0.24 0.29 3.14 1.04 -1.25 -5.00 113.70 105.56 1j12 s SER 494 Ca -0.21 -0.48 0.10 0.00 0.48 0.00 0.00 55.95 55.84 1j12 s SER 494 Cb 0.04 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1j12 s SER 494 CO 0.35 -1.01 -0.06 0.26 0.98 0.00 0.00 173.24 173.76 1j12 s TRP 495 N -3.87 2.53 0.35 5.02 0.52 -1.26 -0.80 118.94 121.43 1j12 s TRP 495 Ca 0.09 -0.31 -0.28 0.00 0.02 0.00 0.00 56.10 55.62 1j12 s TRP 495 Cb -0.00 -1.19 -0.10 0.00 -1.15 0.00 0.00 33.47 31.03 1j12 s TRP 495 CO -0.04 0.62 1.28 -1.14 0.02 0.00 0.00 176.95 177.69 1j12 s GLN 496 N -3.63 4.28 0.12 4.98 0.74 0.11 -4.95 119.66 121.31 1j12 s GLN 496 Ca 0.32 2.14 -0.24 0.00 0.05 0.00 0.00 55.36 57.63 1j12 s GLN 496 Cb -0.05 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.02 1j12 s GLN 496 CO 0.18 -0.22 1.67 1.15 -0.55 0.00 0.00 175.29 177.52 1j12 h THR 497 N 2.87 0.60 -3.35 -0.34 2.02 -1.67 -3.43 112.91 109.61 1j12 h THR 497 Ca -0.49 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.04 1j12 h THR 497 Cb 1.23 0.60 -0.19 0.00 -1.74 0.00 0.00 68.15 68.05 1j12 h THR 497 CO 0.65 0.00 -0.65 0.27 0.37 0.00 0.00 175.52 176.16 1j12 s ILE 498 N -6.13 4.06 -0.08 3.11 -5.25 -1.26 -5.07 121.20 110.57 1j12 s ILE 498 Ca -0.15 -0.31 -0.30 0.00 -0.99 0.00 0.00 60.65 58.90 1j12 s ILE 498 Cb 0.09 -2.75 -0.04 0.00 2.95 0.00 0.00 42.46 42.71 1j12 s ILE 498 CO 0.67 0.53 1.48 -1.58 -1.79 0.00 0.00 174.94 174.25 1j12 s GLN 499 N -0.10 4.22 0.60 0.37 0.74 -1.26 -4.89 119.66 119.32 1j12 s GLN 499 Ca 0.03 1.98 -0.09 0.00 0.05 0.00 0.00 55.36 57.33 1j12 s GLN 499 Cb -0.13 -3.84 -0.03 0.00 1.10 0.00 0.00 33.01 30.12 1j12 s GLN 499 CO 0.02 -0.75 0.97 -0.65 -0.55 0.00 0.00 175.29 174.33 1j12 s GLN 500 N 3.55 3.45 0.07 1.67 -1.52 0.16 -4.88 119.66 122.16 1j12 s GLN 500 Ca 0.66 0.54 -0.12 0.00 -1.95 0.00 0.00 55.36 54.48 1j12 s GLN 500 Cb -0.29 -2.15 0.01 0.00 -0.22 0.00 0.00 33.01 30.36 1j12 s GLN 500 CO 0.24 -0.55 0.27 -1.12 -0.25 0.00 0.00 175.29 173.88 1j12 s SER 501 N -4.19 -0.05 -0.29 5.90 0.01 -1.26 -0.66 113.70 113.15 1j12 s SER 501 Ca 0.53 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 1j12 s SER 501 Cb -0.11 0.36 0.13 0.00 0.21 0.00 0.00 66.02 66.61 1j12 s SER 501 CO 0.51 -0.68 0.25 0.86 0.41 0.00 0.00 173.24 174.59 1j12 s TRP 502 N -3.15 -0.22 -0.44 2.43 -0.11 -0.55 -5.00 118.94 111.91 1j12 s TRP 502 Ca -0.01 -0.41 0.03 0.00 1.22 0.00 0.00 56.10 56.94 1j12 s TRP 502 Cb 0.01 -0.59 0.12 0.00 -1.50 0.00 0.00 33.47 31.51 1j12 s TRP 502 CO -0.07 -0.90 0.18 -0.80 -4.62 0.00 0.00 176.95 170.74 1j12 s ASN 503 N 2.25 4.35 0.34 5.86 -0.87 -1.26 -1.27 114.94 124.34 1j12 s ASN 503 Ca 0.10 -2.61 0.03 0.00 -1.57 0.00 0.00 52.86 48.81 1j12 s ASN 503 Cb -0.15 -1.51 0.05 0.00 -0.02 0.00 0.00 41.25 39.62 1j12 s ASN 503 CO -0.33 -0.29 0.39 -0.81 -2.57 0.00 0.00 177.10 173.49 1j12 n PRO 504 N 3.63 0.68 -2.57 -0.60 -0.04 -1.26 -5.02 135.00 129.82 1j12 n PRO 504 Ca 0.05 -1.38 -0.42 0.00 -0.04 0.00 0.00 63.50 61.70 1j12 n PRO 504 Cb 0.36 -0.16 -0.03 0.00 -0.04 0.00 0.00 33.50 33.63 1j12 n PRO 504 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j12 s VAL 505 N -0.81 4.47 0.56 0.52 1.01 0.78 -4.85 120.40 122.07 1j12 s VAL 505 Ca 0.29 1.77 -0.20 0.00 0.00 0.00 0.00 61.98 63.84 1j12 s VAL 505 Cb -0.02 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1j12 s VAL 505 CO 0.18 0.12 1.20 -2.16 0.00 0.00 0.00 175.10 174.44 1j12 s PRO 506 N 1.16 3.20 0.26 2.72 0.04 -1.26 -0.14 135.00 140.97 1j12 s PRO 506 Ca 0.55 1.81 0.13 0.00 0.04 0.00 0.00 61.00 63.52 1j12 s PRO 506 Cb -0.25 -2.05 0.24 0.00 0.04 0.00 0.00 34.50 32.48 1j12 s PRO 506 CO 0.28 -1.02 1.52 -0.07 0.04 0.00 0.00 177.00 177.75 1j12 h LEU 507 N 1.19 0.00 -9.40 -3.56 4.07 -1.96 -3.43 115.31 102.22 1j12 h LEU 507 Ca -0.50 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 56.90 1j12 h LEU 507 Cb 1.28 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.97 1j12 h LEU 507 CO 0.56 0.63 0.05 -0.75 -1.08 0.00 0.00 178.44 177.86 1j12 s LYS 508 N -3.25 4.41 -0.73 1.13 2.47 -1.26 -4.97 119.74 117.55 1j12 s LYS 508 Ca 0.01 0.82 -0.26 0.00 -1.56 0.00 0.00 55.97 54.98 1j12 s LYS 508 Cb 0.11 -3.42 -0.09 0.00 -1.46 0.00 0.00 37.83 32.97 1j12 s LYS 508 CO 0.75 0.15 2.23 0.99 0.16 0.00 0.00 175.35 179.64 1j12 s THR 509 N 0.52 3.15 0.00 3.43 2.01 -1.26 -4.84 115.64 118.65 1j12 s THR 509 Ca 0.35 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1j12 s THR 509 Cb -0.18 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1j12 s THR 509 CO 0.17 -0.35 0.00 0.41 -0.69 0.00 0.00 174.62 174.17 1j12 n THR 510 N 8.20 0.00 -3.65 -0.82 -1.04 -1.26 -4.99 114.28 110.72 1j12 n THR 510 Ca 0.40 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.39 1j12 n THR 510 Cb 0.48 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.92 1j12 n THR 510 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1j12 s SER 511 N -0.89 -0.05 -0.35 8.00 0.15 -1.26 -3.91 113.70 115.40 1j12 s SER 511 Ca 0.00 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1j12 s SER 511 Cb 0.00 0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.68 1j12 s SER 511 CO 0.00 -0.01 0.08 -2.28 1.20 0.00 0.00 173.24 172.22 1j12 s HIS 512 N 0.23 3.59 -0.04 3.44 2.46 0.40 -4.95 115.29 120.42 1j12 s HIS 512 Ca 0.04 -2.60 -0.05 0.00 0.47 0.00 0.00 55.06 52.93 1j12 s HIS 512 Cb -0.04 -2.82 -0.04 0.00 -0.13 0.00 0.00 32.58 29.54 1j12 s HIS 512 CO -0.15 -0.93 0.19 0.99 -2.47 0.00 0.00 174.74 172.37 1j12 s THR 513 N 1.05 5.43 0.24 0.89 2.01 -1.26 -0.29 115.64 123.71 1j12 s THR 513 Ca 0.06 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.88 1j12 s THR 513 Cb -0.20 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.82 1j12 s THR 513 CO -0.06 0.41 0.61 -0.94 -0.69 0.00 0.00 174.62 173.96 1j12 s SER 514 N -1.64 -0.27 0.19 3.53 1.04 0.15 -4.93 113.70 111.76 1j12 s SER 514 Ca 0.24 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 56.20 1j12 s SER 514 Cb -0.13 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1j12 s SER 514 CO 0.14 -1.19 -0.03 -0.94 0.98 0.00 0.00 173.24 172.20 1j12 s SER 515 N -2.90 4.57 0.00 7.02 1.04 -1.26 -0.32 113.70 121.85 1j12 s SER 515 Ca 0.11 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.13 1j12 s SER 515 Cb -0.03 -0.90 0.49 0.00 0.10 0.00 0.00 66.02 65.68 1j12 s SER 515 CO 0.02 0.08 0.95 1.87 0.98 0.00 0.00 173.24 177.14