#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j12 s VAL 2 N 0.00 2.05 -0.87 0.00 1.01 -0.50 -3.37 120.40 118.71 1j12 s VAL 2 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1j12 s VAL 2 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1j12 s VAL 2 CO 0.00 0.01 0.75 0.59 0.00 0.00 0.00 175.10 176.44 1j12 n ASN 3 N 2.13 -3.70 0.00 3.32 5.03 -1.25 -3.39 115.26 117.41 1j12 n ASN 3 Ca 0.08 -0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.14 1j12 n ASN 3 Cb 0.37 -3.58 0.00 0.00 -1.02 0.00 0.00 39.78 35.55 1j12 n ASN 3 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j12 n GLY 4 N -1.33 0.72 3.93 7.41 0.00 -1.22 -4.95 105.19 109.75 1j12 n GLY 4 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.39 1.76 0.00 1.61 -2.85 -1.22 -1.62 119.74 117.03 1j12 s LYS 5 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 1j12 s LYS 5 Cb 0.00 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1j12 s LYS 5 CO 0.00 -1.58 0.00 0.41 0.10 0.00 0.00 175.35 174.28 1j12 n GLY 6 N -3.17 4.43 3.81 0.59 0.00 -1.26 0.86 105.19 110.46 1j12 n GLY 6 Ca 0.10 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 2.16 2.78 -0.01 1.61 0.23 -1.26 -4.56 119.30 120.25 1j12 s MET 7 Ca 0.00 0.97 -0.30 0.00 -1.03 0.00 0.00 55.69 55.33 1j12 s MET 7 Cb 0.00 -1.97 -0.06 0.00 -1.53 0.00 0.00 34.83 31.27 1j12 s MET 7 CO 0.00 -1.21 1.47 1.21 -2.03 0.00 0.00 175.02 174.46 1j12 s ASN 8 N -3.74 6.79 0.61 -1.18 3.84 -1.26 -4.79 114.94 115.21 1j12 s ASN 8 Ca 0.59 2.16 0.40 0.00 0.21 0.00 0.00 52.86 56.21 1j12 s ASN 8 Cb -0.15 -2.55 1.95 0.00 -0.55 0.00 0.00 41.25 39.95 1j12 s ASN 8 CO 0.55 -0.78 2.19 1.55 -2.79 0.00 0.00 177.10 177.82 1j12 h PRO 9 N 8.22 0.00 -0.01 0.43 0.13 -1.94 -1.97 132.00 136.86 1j12 h PRO 9 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1j12 h PRO 9 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1j12 h PRO 9 CO 0.92 0.00 -0.27 -0.25 -0.23 0.00 0.00 178.00 178.17 1j12 n ASP 10 N -3.06 0.90 -4.60 1.44 8.00 -1.26 -4.72 116.55 113.25 1j12 n ASP 10 Ca -0.01 -0.77 -0.55 0.00 0.71 0.00 0.00 54.79 54.17 1j12 n ASP 10 Cb 0.17 0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 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 -0.79 1.47 -3.98 1.24 9.36 -0.74 -4.84 117.16 118.88 1j12 n TYR 11 Ca 0.12 0.71 -0.09 0.00 3.32 0.00 0.00 57.90 61.95 1j12 n TYR 11 Cb 0.34 -2.31 -0.11 0.00 -0.63 0.00 0.00 39.34 36.63 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 1.01 0.31 -0.07 2.98 1.02 -0.97 -4.62 119.74 119.39 1j12 s LYS 12 Ca 0.89 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 56.27 1j12 s LYS 12 Cb -1.05 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.31 1j12 s LYS 12 CO 0.53 -0.04 -0.01 0.00 -0.92 0.00 0.00 175.35 174.91 1j12 s ALA 13 N -1.40 3.24 0.12 5.17 0.00 -1.26 -2.32 121.76 125.31 1j12 s ALA 13 Ca -0.15 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1j12 s ALA 13 Cb -0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1j12 s ALA 13 CO -0.01 0.59 -0.15 0.71 0.00 0.00 0.00 175.76 176.91 1j12 s TYR 14 N -0.89 1.43 -0.08 0.00 1.51 -0.58 -0.77 117.35 117.97 1j12 s TYR 14 Ca 0.14 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1j12 s TYR 14 Cb -0.11 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1j12 s TYR 14 CO 0.03 0.15 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.32 1j12 s LEU 15 N -2.37 2.79 0.01 -1.29 2.96 -0.61 -0.68 118.68 119.49 1j12 s LEU 15 Ca 0.08 -0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 53.49 1j12 s LEU 15 Cb -0.06 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1j12 s LEU 15 CO 0.03 0.28 0.88 -0.04 -1.32 0.00 0.00 176.35 176.18 1j12 s MET 16 N -0.31 4.55 0.72 1.98 -1.94 -0.23 -1.02 119.30 123.04 1j12 s MET 16 Ca 0.03 1.25 -0.11 0.00 -1.71 0.00 0.00 55.69 55.16 1j12 s MET 16 Cb -0.13 -3.43 0.04 0.00 2.01 0.00 0.00 34.83 33.32 1j12 s MET 16 CO 0.03 0.06 1.09 0.00 -0.01 0.00 0.00 175.02 176.19 1j12 s ALA 17 N 0.66 2.90 0.99 3.03 0.00 -0.46 0.13 121.76 128.99 1j12 s ALA 17 Ca 0.46 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1j12 s ALA 17 Cb -0.21 -2.92 0.13 0.00 0.00 0.00 0.00 23.12 20.12 1j12 s ALA 17 CO 0.25 -1.26 0.77 -2.30 0.00 0.00 0.00 175.76 173.22 1j12 n PRO 18 N -3.04 -0.82 0.09 0.00 -0.02 -1.26 -4.71 135.00 125.24 1j12 n PRO 18 Ca 0.07 -0.19 -0.14 0.00 -2.02 0.00 0.00 63.50 61.22 1j12 n PRO 18 Cb 0.59 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.82 1j12 n PRO 18 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1j12 h LEU 19 N -1.93 0.32-10.20 2.45 4.07 -1.96 -3.44 115.31 104.61 1j12 h LEU 19 Ca -0.47 -0.36 -0.49 0.00 0.08 0.00 0.00 57.88 56.63 1j12 h LEU 19 Cb 1.29 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.94 1j12 h LEU 19 CO 0.40 1.29 -0.06 -0.54 -1.08 0.00 0.00 178.44 178.44 1j12 s LYS 20 N -2.66 3.57 0.50 1.13 1.02 -1.26 -4.98 119.74 117.06 1j12 s LYS 20 Ca -0.04 -0.01 -0.22 0.00 0.02 0.00 0.00 55.97 55.72 1j12 s LYS 20 Cb 0.08 -2.55 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 1j12 s LYS 20 CO 0.86 0.06 1.16 1.63 -0.92 0.00 0.00 175.35 178.14 1j12 n LYS 21 N -1.60 1.49 -0.21 1.68 5.02 -1.26 -4.86 118.16 118.42 1j12 n LYS 21 Ca -0.02 0.54 0.01 0.00 -2.02 0.00 0.00 58.31 56.83 1j12 n LYS 21 Cb 0.55 -2.31 0.10 0.00 -0.02 0.00 0.00 35.03 33.35 1j12 n LYS 21 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1j12 h ILE 22 N 1.40 0.48 0.00 -0.18 1.08 -1.94 -0.48 117.51 117.87 1j12 h ILE 22 Ca -0.48 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1j12 h ILE 22 Cb 1.32 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1j12 h ILE 22 CO 0.56 0.02 0.00 -2.65 -0.69 0.00 0.00 178.15 175.39 1j12 n PRO 23 N -5.29 0.10 0.07 2.37 -0.02 -1.26 -0.17 135.00 130.81 1j12 n PRO 23 Ca 0.09 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 1j12 n PRO 23 Cb 0.36 -1.83 0.08 0.00 -0.02 0.00 0.00 33.50 32.10 1j12 n PRO 23 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1j12 h GLU 24 N 0.00 0.00 0.00 -0.52 5.08 -1.42 -3.39 114.58 114.33 1j12 h GLU 24 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1j12 h GLU 24 Cb 0.02 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1j12 h GLU 24 CO 0.00 0.00 -2.23 0.28 -1.00 0.00 0.00 179.01 176.06 1j12 n VAL 25 N -2.32 1.22 -1.33 3.13 0.31 0.24 -5.03 118.33 114.56 1j12 n VAL 25 Ca 0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1j12 n VAL 25 Cb 0.48 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.49 0.00 -4.34 2.52 5.66 0.76 -5.12 114.28 110.26 1j12 n THR 26 Ca -0.40 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.41 1j12 n THR 26 Cb 0.86 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.54 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 1.65 2.57 0.37 1.09 2.20 -1.26 -3.97 114.94 117.59 1j12 s ASN 27 Ca 0.00 -1.02 0.07 0.00 -0.94 0.00 0.00 52.86 50.98 1j12 s ASN 27 Cb 0.00 -0.14 0.79 0.00 -2.00 0.00 0.00 41.25 39.91 1j12 s ASN 27 CO 0.00 -0.17 1.95 -0.50 -2.94 0.00 0.00 177.10 175.44 1j12 h TRP 28 N 2.57 0.73 0.08 1.54 4.06 -1.97 0.56 115.95 123.51 1j12 h TRP 28 Ca -0.38 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.58 1j12 h TRP 28 Cb 1.22 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1j12 h TRP 28 CO 0.72 0.36 -0.04 0.93 -3.56 0.00 0.00 178.44 176.85 1j12 h GLU 29 N 0.70 -0.10 -0.46 0.49 3.07 -1.99 -0.26 114.58 116.03 1j12 h GLU 29 Ca 0.33 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 1j12 h GLU 29 Cb 0.38 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1j12 h GLU 29 CO -0.12 0.13 0.20 1.15 -1.40 0.00 0.00 179.01 178.97 1j12 h THR 30 N -0.32 1.20 -0.95 1.13 2.02 -1.90 -2.01 112.91 112.07 1j12 h THR 30 Ca -0.01 -0.59 0.08 0.00 0.77 0.00 0.00 66.41 66.66 1j12 h THR 30 Cb 0.27 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 1j12 h THR 30 CO 0.02 0.22 0.60 0.15 0.37 0.00 0.00 175.52 176.88 1j12 h PHE 31 N 0.59 1.10 -0.55 3.16 3.57 -0.73 0.24 116.94 124.33 1j12 h PHE 31 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1j12 h PHE 31 Cb 0.16 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1j12 h PHE 31 CO -0.00 0.51 0.00 0.93 -2.23 0.00 0.00 178.31 177.52 1j12 h GLU 32 N 1.03 0.94 -0.34 1.11 5.08 -0.57 -0.72 114.58 121.11 1j12 h GLU 32 Ca 0.44 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1j12 h GLU 32 Cb 0.29 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1j12 h GLU 32 CO -0.21 0.93 -0.46 -0.91 -1.00 0.00 0.00 179.01 177.36 1j12 h ASN 33 N 0.87 1.00 -0.76 1.42 2.35 -0.52 -2.52 115.58 117.42 1j12 h ASN 33 Ca 0.16 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 1j12 h ASN 33 Cb 0.51 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1j12 h ASN 33 CO 0.03 1.30 0.43 0.44 -1.65 0.00 0.00 177.43 177.98 1j12 h ASP 34 N 0.73 0.95 -0.49 5.81 3.32 -0.31 -0.88 116.42 125.55 1j12 h ASP 34 Ca 0.04 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1j12 h ASP 34 Cb 1.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1j12 h ASP 34 CO 0.11 0.76 0.07 -0.07 -1.72 0.00 0.00 179.24 178.39 1j12 h LEU 35 N 1.08 0.84 -0.61 1.55 3.38 -0.92 -0.49 115.31 120.14 1j12 h LEU 35 Ca 0.28 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1j12 h LEU 35 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1j12 h LEU 35 CO -0.05 0.86 -0.46 0.03 0.09 0.00 0.00 178.44 178.92 1j12 h ARG 36 N 0.84 0.57 -0.34 1.13 3.08 -0.93 -1.50 114.38 117.22 1j12 h ARG 36 Ca 0.17 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1j12 h ARG 36 Cb 0.40 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1j12 h ARG 36 CO 0.01 0.91 0.20 2.35 -1.07 0.00 0.00 179.97 182.37 1j12 h TRP 37 N 0.46 0.46 -0.69 3.04 -0.00 -0.63 -1.80 115.95 116.78 1j12 h TRP 37 Ca 0.03 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.87 1j12 h TRP 37 Cb 0.98 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 29.96 1j12 h TRP 37 CO 0.04 0.35 0.24 0.00 -0.00 0.00 0.00 178.44 179.07 1j12 h ALA 38 N 1.07 1.12 -0.42 2.65 0.00 -0.94 -1.53 119.26 121.22 1j12 h ALA 38 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1j12 h ALA 38 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1j12 h ALA 38 CO -0.02 0.61 0.18 -0.22 0.00 0.00 0.00 179.25 179.80 1j12 h LYS 39 N 1.01 0.59 0.00 0.00 3.64 -0.89 -1.18 116.57 119.75 1j12 h LYS 39 Ca 0.23 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1j12 h LYS 39 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1j12 h LYS 39 CO -0.01 0.48 -0.25 1.96 -2.27 0.00 0.00 179.45 179.35 1j12 h GLN 40 N 0.59 0.00 -0.66 1.90 4.20 -0.43 -3.01 115.11 117.71 1j12 h GLN 40 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1j12 h GLN 40 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1j12 h GLN 40 CO -0.02 0.25 0.00 0.09 -0.67 0.00 0.00 178.83 178.48 1j12 n ASN 41 N -3.76 4.41 0.00 1.46 3.02 -0.50 -4.92 115.26 114.97 1j12 n ASN 41 Ca -0.01 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 1j12 n ASN 41 Cb 0.35 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.67 0.76 3.72 7.41 0.00 -1.14 -4.22 105.19 112.40 1j12 n GLY 42 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.24 3.65 -0.15 1.61 0.08 -0.86 -4.31 117.98 115.75 1j12 s PHE 43 Ca 0.00 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 58.47 1j12 s PHE 43 Cb 0.00 -2.95 -0.24 0.00 -0.57 0.00 0.00 43.02 39.26 1j12 s PHE 43 CO 0.00 0.09 0.27 0.98 -0.10 0.00 0.00 175.22 176.46 1j12 n TYR 44 N 3.59 1.07 -4.06 0.36 9.36 0.05 -4.30 117.16 123.23 1j12 n TYR 44 Ca 0.02 0.25 -0.10 0.00 3.32 0.00 0.00 57.90 61.39 1j12 n TYR 44 Cb 0.51 -1.14 -0.07 0.00 -0.63 0.00 0.00 39.34 38.01 1j12 n TYR 44 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1j12 s ALA 45 N -2.53 0.27 -0.19 2.98 0.00 -1.24 -3.39 121.76 117.66 1j12 s ALA 45 Ca -0.25 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1j12 s ALA 45 Cb 0.07 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.37 1j12 s ALA 45 CO 0.72 -0.74 -0.16 -1.50 0.00 0.00 0.00 175.76 174.08 1j12 s ILE 46 N -4.06 1.91 0.33 0.00 2.07 -0.81 -1.57 121.20 119.07 1j12 s ILE 46 Ca 0.27 -0.97 -0.20 0.00 -1.41 0.00 0.00 60.65 58.34 1j12 s ILE 46 Cb 0.02 -1.81 -0.10 0.00 0.13 0.00 0.00 42.46 40.71 1j12 s ILE 46 CO 0.09 0.40 0.83 0.42 -1.91 0.00 0.00 174.94 174.77 1j12 s THR 47 N 1.32 4.48 -0.15 4.00 -4.23 -0.19 -1.67 115.64 119.21 1j12 s THR 47 Ca 0.02 1.34 -0.12 0.00 -1.18 0.00 0.00 61.69 61.75 1j12 s THR 47 Cb -0.14 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 70.00 1j12 s THR 47 CO -0.11 -0.08 0.38 0.54 -0.54 0.00 0.00 174.62 174.81 1j12 s VAL 48 N -1.87 -0.01 -0.11 2.29 0.11 -0.77 -1.36 120.40 118.68 1j12 s VAL 48 Ca 0.53 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 59.32 1j12 s VAL 48 Cb -0.13 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 1j12 s VAL 48 CO 0.18 0.01 0.95 -1.81 -3.33 0.00 0.00 175.10 171.10 1j12 s ASP 49 N 0.42 7.18 -0.38 3.54 1.01 -1.26 -0.01 116.67 127.17 1j12 s ASP 49 Ca -0.02 1.44 -0.02 0.00 0.71 0.00 0.00 52.55 54.67 1j12 s ASP 49 Cb -0.04 -2.53 0.09 0.00 1.01 0.00 0.00 42.92 41.46 1j12 s ASP 49 CO -0.02 -0.40 0.14 -0.36 0.21 0.00 0.00 175.17 174.74 1j12 s PHE 50 N 1.87 3.54 0.20 4.23 2.99 -0.18 -4.92 117.98 125.70 1j12 s PHE 50 Ca 0.46 -2.36 -0.30 0.00 0.00 0.00 0.00 56.93 54.73 1j12 s PHE 50 Cb -0.18 -2.94 -0.09 0.00 0.00 0.00 0.00 43.02 39.81 1j12 s PHE 50 CO 0.18 -0.93 1.39 -1.58 -0.00 0.00 0.00 175.22 174.27 1j12 s TRP 51 N 1.14 3.16 0.34 0.36 0.52 -1.26 -1.46 118.94 121.73 1j12 s TRP 51 Ca 0.06 1.07 0.02 0.00 0.02 0.00 0.00 56.10 57.26 1j12 s TRP 51 Cb -0.22 -3.71 0.59 0.00 -1.15 0.00 0.00 33.47 28.99 1j12 s TRP 51 CO -0.04 -2.34 1.95 2.35 0.02 0.00 0.00 176.95 178.89 1j12 h TRP 52 N 5.60 0.75 0.00 -1.98 7.01 -1.34 -1.08 115.95 124.91 1j12 h TRP 52 Ca -0.45 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1j12 h TRP 52 Cb 1.21 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1j12 h TRP 52 CO 0.62 0.54 0.00 0.78 -2.79 0.00 0.00 178.44 177.59 1j12 h GLY 53 N 0.85 0.00 0.16 2.65 0.00 -1.82 -2.54 103.07 102.37 1j12 h GLY 53 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.14 1j12 h GLY 53 CO -0.03 0.00 -2.33 1.22 0.00 0.00 0.00 176.54 175.40 1j12 n ASP 54 N -2.78 2.02 0.24 0.19 8.00 -0.46 -4.07 116.55 119.69 1j12 n ASP 54 Ca -0.02 -0.01 0.13 0.00 0.71 0.00 0.00 54.79 55.61 1j12 n ASP 54 Cb 0.10 -0.57 0.46 0.00 -0.02 0.00 0.00 41.12 41.09 1j12 n ASP 54 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1j12 h MET 55 N -0.06 0.00 -0.44 -1.24 2.86 -1.14 -3.36 114.93 111.55 1j12 h MET 55 Ca -0.54 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 56.82 1j12 h MET 55 Cb 1.91 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 33.30 1j12 h MET 55 CO -0.07 0.09 -0.74 -1.91 1.06 0.00 0.00 176.91 175.34 1j12 n GLU 56 N -3.18 1.22 -0.05 1.72 2.13 -0.98 -0.23 120.64 121.27 1j12 n GLU 56 Ca 0.01 -2.47 -0.12 0.00 0.66 0.00 0.00 57.16 55.24 1j12 n GLU 56 Cb 0.42 -0.60 -0.06 0.00 0.27 0.00 0.00 31.44 31.47 1j12 n GLU 56 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1j12 h LYS 57 N 2.38 0.27 0.00 5.31 3.64 -1.71 -3.35 116.57 123.11 1j12 h LYS 57 Ca -0.21 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1j12 h LYS 57 Cb 1.25 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1j12 h LYS 57 CO 0.17 0.54 0.00 -0.91 -2.27 0.00 0.00 179.45 176.99 1j12 h ASN 58 N -0.03 0.00 0.00 4.20 2.35 -1.91 -3.43 115.58 116.77 1j12 h ASN 58 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1j12 h ASN 58 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1j12 h ASN 58 CO 0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 1j12 n GLY 59 N 0.71 1.47 3.70 2.83 0.00 -1.26 -5.02 105.19 107.63 1j12 n GLY 59 Ca 0.03 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1j12 n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j12 s ASP 60 N 0.00 6.44 -0.54 1.61 2.15 -1.26 -1.76 116.67 123.30 1j12 s ASP 60 Ca 0.00 2.76 0.00 0.00 0.43 0.00 0.00 52.55 55.74 1j12 s ASP 60 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1j12 s ASP 60 CO 0.00 -0.97 0.00 0.00 -0.17 0.00 0.00 175.17 174.03 1j12 n GLN 61 N 4.86 -1.09 -3.12 4.34 1.13 -1.26 -4.92 117.38 117.33 1j12 n GLN 61 Ca 0.16 0.56 -0.43 0.00 -1.94 0.00 0.00 57.00 55.36 1j12 n GLN 61 Cb 0.37 -4.53 0.00 0.00 0.11 0.00 0.00 30.24 26.20 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 -1.39 4.15 -1.82 -1.09 6.02 -0.72 -5.03 117.38 117.49 1j12 n GLN 62 Ca -0.05 -4.54 -0.32 0.00 -0.01 0.00 0.00 57.00 52.09 1j12 n GLN 62 Cb 0.35 -2.51 0.03 0.00 1.02 0.00 0.00 30.24 29.13 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 -2.39 3.14 -0.32 1.08 0.40 -1.26 -4.29 117.98 114.34 1j12 s PHE 63 Ca 0.31 1.44 0.03 0.00 -0.60 0.00 0.00 56.93 58.12 1j12 s PHE 63 Cb 0.01 -2.90 0.16 0.00 0.51 0.00 0.00 43.02 40.80 1j12 s PHE 63 CO 0.05 -1.08 0.43 0.34 0.70 0.00 0.00 175.22 175.66 1j12 s ASP 64 N -3.43 0.37 -0.06 1.36 2.15 0.68 -4.94 116.67 112.80 1j12 s ASP 64 Ca 0.60 -0.74 0.15 0.00 0.43 0.00 0.00 52.55 52.99 1j12 s ASP 64 Cb -0.14 1.06 0.50 0.00 -0.30 0.00 0.00 42.92 44.04 1j12 s ASP 64 CO 0.47 -0.31 1.42 0.49 -0.17 0.00 0.00 175.17 177.07 1j12 n PHE 65 N 4.96 0.87 -0.15 -5.34 3.01 -1.26 -4.21 117.46 115.34 1j12 n PHE 65 Ca 0.05 -0.60 -0.03 0.00 1.01 0.00 0.00 57.45 57.88 1j12 n PHE 65 Cb 0.49 -0.13 0.05 0.00 -0.01 0.00 0.00 39.48 39.88 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 2.79 -0.29 -0.58 4.37 4.64 -1.98 -1.12 113.55 121.37 1j12 h SER 66 Ca 0.00 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1j12 h SER 66 Cb 1.08 0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1j12 h SER 66 CO 0.10 -0.10 0.26 0.22 -0.87 0.00 0.00 176.83 176.44 1j12 h TYR 67 N 0.07 0.89 -0.51 4.77 3.20 -1.99 -0.30 116.97 123.10 1j12 h TYR 67 Ca 0.24 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1j12 h TYR 67 Cb 0.36 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1j12 h TYR 67 CO -0.34 0.68 0.09 0.00 -1.64 0.00 0.00 178.16 176.94 1j12 h ALA 68 N 1.41 0.67 -0.42 1.82 0.00 -1.64 0.53 119.26 121.63 1j12 h ALA 68 Ca 0.21 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1j12 h ALA 68 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1j12 h ALA 68 CO -0.02 0.40 -0.32 1.96 0.00 0.00 0.00 179.25 181.28 1j12 h GLN 69 N 0.72 0.96 -0.55 0.00 4.20 -0.92 -0.59 115.11 118.92 1j12 h GLN 69 Ca 0.15 -0.47 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 1j12 h GLN 69 Cb 0.39 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1j12 h GLN 69 CO 0.01 1.13 0.14 -0.09 -0.67 0.00 0.00 178.83 179.35 1j12 h ARG 70 N 0.80 0.88 -0.19 1.46 9.65 -0.97 -0.81 114.38 125.19 1j12 h ARG 70 Ca 0.08 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1j12 h ARG 70 Cb 0.91 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1j12 h ARG 70 CO 0.08 0.83 0.10 0.35 2.80 0.00 0.00 179.97 184.13 1j12 h PHE 71 N 0.79 0.28 -0.77 2.20 3.57 -0.76 -2.58 116.94 119.67 1j12 h PHE 71 Ca 0.17 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1j12 h PHE 71 Cb 0.34 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1j12 h PHE 71 CO 0.02 0.28 0.51 0.00 -2.23 0.00 0.00 178.31 176.89 1j12 h ALA 72 N 0.97 1.47 -0.25 2.41 0.00 -0.90 -1.77 119.26 121.19 1j12 h ALA 72 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1j12 h ALA 72 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1j12 h ALA 72 CO -0.01 0.48 0.13 0.37 0.00 0.00 0.00 179.25 180.22 1j12 h GLN 73 N 1.02 0.34 -0.82 0.00 5.75 -0.84 -0.85 115.11 119.71 1j12 h GLN 73 Ca 0.29 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.72 1j12 h GLN 73 Cb -0.08 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 1j12 h GLN 73 CO -0.07 0.32 0.41 0.77 -2.65 0.00 0.00 178.83 177.61 1j12 h SER 74 N 0.28 1.06 -0.70 -0.69 0.02 -1.06 0.11 113.55 112.58 1j12 h SER 74 Ca 0.09 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1j12 h SER 74 Cb 0.08 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1j12 h SER 74 CO -0.01 0.88 0.39 0.58 -1.14 0.00 0.00 176.83 177.52 1j12 h VAL 75 N 1.16 1.21 -0.59 2.27 2.07 -0.96 0.07 116.25 121.49 1j12 h VAL 75 Ca 0.29 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1j12 h VAL 75 Cb 0.09 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1j12 h VAL 75 CO -0.04 0.23 0.17 0.50 0.02 0.00 0.00 177.57 178.45 1j12 h LYS 76 N 0.96 0.92 -0.16 1.57 3.64 -0.47 -0.58 116.57 122.45 1j12 h LYS 76 Ca 0.25 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1j12 h LYS 76 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1j12 h LYS 76 CO -0.04 0.83 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.96 1j12 h ASN 77 N 0.83 0.23 0.01 4.20 2.35 -0.18 -1.74 115.58 121.29 1j12 h ASN 77 Ca 0.19 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1j12 h ASN 77 Cb 0.31 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1j12 h ASN 77 CO -0.00 0.37 -0.01 0.00 -1.65 0.00 0.00 177.43 176.14 1j12 n ALA 78 N -2.49 2.64 -2.21 -0.83 0.00 -0.04 -4.91 120.51 112.67 1j12 n ALA 78 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1j12 n ALA 78 Cb 0.25 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 1.10 -0.09 3.86 0.00 0.00 -0.65 -4.59 105.19 104.82 1j12 n GLY 79 Ca 0.21 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1j12 n GLY 79 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j12 s MET 80 N -4.58 2.38 0.30 1.61 -1.94 -0.26 -5.03 119.30 111.77 1j12 s MET 80 Ca 0.00 -1.74 0.10 0.00 -1.71 0.00 0.00 55.69 52.33 1j12 s MET 80 Cb 0.00 -2.22 -0.05 0.00 2.01 0.00 0.00 34.83 34.57 1j12 s MET 80 CO 0.00 -0.31 -0.00 0.15 -0.01 0.00 0.00 175.02 174.84 1j12 s LYS 81 N -4.14 2.17 0.04 2.03 -0.14 -1.22 -4.38 119.74 114.11 1j12 s LYS 81 Ca 0.43 -1.57 -0.01 0.00 -1.36 0.00 0.00 55.97 53.46 1j12 s LYS 81 Cb -0.01 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1j12 s LYS 81 CO 0.25 0.26 -0.02 0.00 -0.76 0.00 0.00 175.35 175.09 1j12 s MET 82 N -3.69 0.56 -0.36 1.68 0.23 0.10 -1.93 119.30 115.89 1j12 s MET 82 Ca 0.33 -1.07 0.01 0.00 -1.03 0.00 0.00 55.69 53.93 1j12 s MET 82 Cb -0.04 0.19 0.11 0.00 -1.53 0.00 0.00 34.83 33.57 1j12 s MET 82 CO 0.19 -0.10 0.14 0.42 -2.03 0.00 0.00 175.02 173.64 1j12 s ILE 83 N -3.36 1.22 0.34 3.16 1.01 -0.67 -1.40 121.20 121.49 1j12 s ILE 83 Ca 0.02 -1.90 -0.28 0.00 0.00 0.00 0.00 60.65 58.49 1j12 s ILE 83 Cb 0.04 -1.89 -0.09 0.00 0.01 0.00 0.00 42.46 40.52 1j12 s ILE 83 CO -0.08 -0.74 1.18 -2.16 0.00 0.00 0.00 174.94 173.14 1j12 s PRO 84 N 1.11 4.35 -0.25 2.79 0.04 -1.24 -1.85 135.00 139.95 1j12 s PRO 84 Ca 0.13 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 1j12 s PRO 84 Cb -0.20 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.39 1j12 s PRO 84 CO -0.14 -0.09 -0.05 0.42 0.04 0.00 0.00 177.00 177.18 1j12 s ILE 85 N -1.25 3.05 -1.14 0.56 1.01 0.98 -1.24 121.20 123.17 1j12 s ILE 85 Ca 0.50 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 1j12 s ILE 85 Cb -0.34 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 39.68 1j12 s ILE 85 CO 0.44 0.22 1.55 -0.63 0.00 0.00 0.00 174.94 176.52 1j12 s ILE 86 N 1.37 4.14 -0.98 2.92 1.01 -0.74 -1.01 121.20 127.90 1j12 s ILE 86 Ca 0.01 -1.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.00 1j12 s ILE 86 Cb -0.16 -5.09 0.01 0.00 0.01 0.00 0.00 42.46 37.22 1j12 s ILE 86 CO -0.04 -1.93 1.68 -0.44 0.00 0.00 0.00 174.94 174.22 1j12 s SER 87 N 4.42 5.90 -0.14 3.58 0.01 -0.54 -3.64 113.70 123.30 1j12 s SER 87 Ca 0.48 -1.14 0.03 0.00 1.31 0.00 0.00 55.95 56.63 1j12 s SER 87 Cb 0.01 -2.57 0.27 0.00 0.21 0.00 0.00 66.02 63.94 1j12 s SER 87 CO -0.02 -2.06 1.23 0.35 0.41 0.00 0.00 173.24 173.15 1j12 n THR 88 N 7.32 1.59 -4.37 1.44 -2.24 -1.26 -0.97 114.28 115.78 1j12 n THR 88 Ca 0.37 -0.66 -0.19 0.00 -2.27 0.00 0.00 64.05 61.30 1j12 n THR 88 Cb 0.49 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.36 1.74 0.35 4.78 -3.43 -1.26 -4.61 115.29 111.51 1j12 s HIS 89 Ca 0.21 -0.76 -0.26 0.00 -0.80 0.00 0.00 55.06 53.46 1j12 s HIS 89 Cb 0.17 -0.96 -0.09 0.00 -1.43 0.00 0.00 32.58 30.27 1j12 s HIS 89 CO 0.05 0.17 1.04 -1.14 -2.00 0.00 0.00 174.74 172.86 1j12 s GLN 90 N -3.76 4.36 -0.20 -0.38 0.74 0.45 -4.71 119.66 116.16 1j12 s GLN 90 Ca 0.27 1.55 -0.08 0.00 0.05 0.00 0.00 55.36 57.15 1j12 s GLN 90 Cb 0.04 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1j12 s GLN 90 CO 0.09 0.03 0.09 0.00 -0.55 0.00 0.00 175.29 174.95 1j12 n GLY 92 N 3.78 2.90 0.00 0.00 0.00 -1.26 -1.30 105.19 109.32 1j12 n GLY 92 Ca -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.84 2.95 3.88 -0.02 0.00 -1.26 -4.99 105.19 106.59 1j12 n GLY 93 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.19 5.84 -0.02 1.61 0.01 -1.26 -4.87 114.94 115.07 1j12 s ASN 94 Ca 0.00 -0.12 -0.33 0.00 -0.71 0.00 0.00 52.86 51.70 1j12 s ASN 94 Cb 0.00 -1.59 -0.11 0.00 0.41 0.00 0.00 41.25 39.96 1j12 s ASN 94 CO 0.00 -0.05 1.86 0.55 -1.51 0.00 0.00 177.10 177.95 1j12 n VAL 95 N -1.27 0.53 -0.22 1.60 3.14 -1.26 -1.18 118.33 119.68 1j12 n VAL 95 Ca -0.08 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1j12 n VAL 95 Cb 0.58 -1.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.42 1j12 n VAL 95 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j12 n GLY 96 N 4.31 1.14 3.69 7.55 0.00 -1.26 -5.02 105.19 115.59 1j12 n GLY 96 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.98 6.76 -0.53 1.61 -0.00 -0.32 -4.93 116.67 116.28 1j12 s ASP 97 Ca 0.00 2.27 0.07 0.00 -0.00 0.00 0.00 52.55 54.88 1j12 s ASP 97 Cb 0.00 -2.57 0.24 0.00 -0.00 0.00 0.00 42.92 40.60 1j12 s ASP 97 CO 0.00 -0.77 0.62 -0.67 -0.00 0.00 0.00 175.17 174.35 1j12 n ASP 98 N 5.23 2.02 -3.57 0.27 4.64 -1.26 -4.79 116.55 119.08 1j12 n ASP 98 Ca 0.14 -3.07 -0.01 0.00 -1.38 0.00 0.00 54.79 50.47 1j12 n ASP 98 Cb 0.42 -0.66 0.01 0.00 -1.04 0.00 0.00 41.12 39.86 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 -3.41 -0.76 -0.41 0.00 2.47 -1.24 -4.01 114.94 107.57 1j12 s ASN 100 Ca 0.22 -1.33 0.02 0.00 0.42 0.00 0.00 52.86 52.18 1j12 s ASN 100 Cb -0.01 1.51 0.14 0.00 -1.45 0.00 0.00 41.25 41.44 1j12 s ASN 100 CO 0.02 -0.16 0.26 -0.69 -3.72 0.00 0.00 177.10 172.81 1j12 s VAL 101 N 1.40 0.82 0.78 -5.21 1.01 -0.42 -4.97 120.40 113.80 1j12 s VAL 101 Ca 0.21 -2.33 -0.11 0.00 0.00 0.00 0.00 61.98 59.74 1j12 s VAL 101 Cb -0.05 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.81 1j12 s VAL 101 CO -0.06 -0.99 1.09 -2.16 0.00 0.00 0.00 175.10 172.98 1j12 s PRO 102 N 0.49 2.24 0.68 2.72 0.04 -1.26 -1.00 135.00 138.90 1j12 s PRO 102 Ca 0.21 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 61.80 1j12 s PRO 102 Cb -0.18 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1j12 s PRO 102 CO -0.04 -1.52 1.10 0.96 0.04 0.00 0.00 177.00 177.54 1j12 s ILE 103 N -3.14 3.37 0.02 0.56 -4.36 -1.26 -3.88 121.20 112.51 1j12 s ILE 103 Ca 0.60 0.59 -0.38 0.00 -0.26 0.00 0.00 60.65 61.20 1j12 s ILE 103 Cb -0.14 -3.11 -0.17 0.00 1.25 0.00 0.00 42.46 40.28 1j12 s ILE 103 CO 0.54 -0.45 1.34 -2.65 0.24 0.00 0.00 174.94 173.97 1j12 n PRO 104 N -2.64 0.91 0.20 0.37 -0.02 -1.26 -4.88 135.00 127.68 1j12 n PRO 104 Ca 0.10 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1j12 n PRO 104 Cb 0.52 -1.95 0.43 0.00 -0.02 0.00 0.00 33.50 32.49 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 4.57 0.01 0.19 2.55 4.64 -1.90 -2.75 113.55 120.86 1j12 h SER 105 Ca -0.48 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1j12 h SER 105 Cb 1.35 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1j12 h SER 105 CO 0.78 0.27 -0.04 4.11 -0.87 0.00 0.00 176.83 181.08 1j12 h TRP 106 N 0.01 0.00 -0.84 4.77 5.08 -1.90 -2.84 115.95 120.24 1j12 h TRP 106 Ca -0.00 0.00 0.06 0.00 1.08 0.00 0.00 58.89 60.03 1j12 h TRP 106 Cb 0.47 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.58 1j12 h TRP 106 CO 0.00 0.04 0.55 0.28 -1.28 0.00 0.00 178.44 178.03 1j12 h VAL 107 N 0.00 1.07 0.00 0.12 2.07 -1.86 -1.38 116.25 116.27 1j12 h VAL 107 Ca -0.00 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1j12 h VAL 107 Cb 0.15 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1j12 h VAL 107 CO 0.01 0.18 -0.01 -0.50 0.02 0.00 0.00 177.57 177.26 1j12 h TRP 108 N 0.96 0.00 0.00 1.57 4.06 -1.70 -2.72 115.95 118.12 1j12 h TRP 108 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 1j12 h TRP 108 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1j12 h TRP 108 CO -0.00 0.01 0.00 -0.91 -3.56 0.00 0.00 178.44 173.98 1j12 h ASN 109 N 0.00 0.00 0.39 -3.49 2.35 -1.42 -3.30 115.58 110.11 1j12 h ASN 109 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j12 h ASN 109 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1j12 h ASN 109 CO 0.00 0.00 -0.01 1.56 -1.65 0.00 0.00 177.43 177.34 1j12 h GLN 110 N 0.00 0.00 -4.78 0.81 1.08 -1.61 -3.43 115.11 107.19 1j12 h GLN 110 Ca 0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 1j12 h GLN 110 Cb 0.64 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 27.82 1j12 h GLN 110 CO 0.00 0.01 -0.76 0.15 -0.95 0.00 0.00 178.83 177.27 1j12 s LYS 111 N -3.98 0.65 0.01 1.46 -0.14 -1.24 -5.03 119.74 111.47 1j12 s LYS 111 Ca -0.03 -0.59 0.22 0.00 -1.36 0.00 0.00 55.97 54.21 1j12 s LYS 111 Cb 0.12 -0.57 -0.10 0.00 -1.68 0.00 0.00 37.83 35.59 1j12 s LYS 111 CO 0.47 0.14 0.92 -1.13 -0.76 0.00 0.00 175.35 174.99 1j12 n SER 112 N 2.06 0.71 -1.60 2.83 3.41 -1.26 -4.93 113.62 114.83 1j12 n SER 112 Ca -0.18 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 1j12 n SER 112 Cb 0.56 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 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 -1.72 0.00 -0.93 4.04 3.85 -1.26 -5.02 116.55 115.51 1j12 n ASP 113 Ca 0.02 -0.05 0.01 0.00 -0.71 0.00 0.00 54.79 54.06 1j12 n ASP 113 Cb 0.39 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.37 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 -0.16 2.54 0.27 -1.12 3.85 -1.26 -4.73 116.55 115.94 1j12 n ASP 114 Ca 0.00 -3.63 0.18 0.00 -0.71 0.00 0.00 54.79 50.63 1j12 n ASP 114 Cb 0.00 -0.59 0.74 0.00 -1.35 0.00 0.00 41.12 39.93 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 1.03 0.00 1.11 -1.12 4.64 -1.95 -3.28 113.55 113.97 1j12 h SER 115 Ca 0.13 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.35 1j12 h SER 115 Cb 1.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.53 1j12 h SER 115 CO 0.27 0.00 -0.94 -0.07 -0.87 0.00 0.00 176.83 175.21 1j12 h LEU 116 N 0.00 0.00 0.00 5.97 3.38 -1.89 -3.36 115.31 119.41 1j12 h LEU 116 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1j12 h LEU 116 Cb 0.41 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1j12 h LEU 116 CO 0.00 0.37 -0.31 0.00 0.09 0.00 0.00 178.44 178.59 1j12 n TYR 117 N -2.95 0.53 -4.26 1.13 0.18 -1.24 -0.38 117.16 110.17 1j12 n TYR 117 Ca -0.03 -1.73 -0.24 0.00 1.88 0.00 0.00 57.90 57.78 1j12 n TYR 117 Cb 0.72 -0.25 -0.07 0.00 -0.38 0.00 0.00 39.34 39.35 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 -2.21 2.76 -0.08 -3.48 0.40 -0.73 -4.73 117.98 109.90 1j12 s PHE 118 Ca 0.04 -0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 1j12 s PHE 118 Cb -0.00 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.30 1j12 s PHE 118 CO 0.02 0.57 0.17 0.21 0.70 0.00 0.00 175.22 176.89 1j12 s LYS 119 N -3.35 0.09 0.96 0.44 2.20 -1.26 -1.07 119.74 117.76 1j12 s LYS 119 Ca 0.29 0.48 -0.16 0.00 -0.36 0.00 0.00 55.97 56.22 1j12 s LYS 119 Cb -0.08 -0.19 0.20 0.00 -1.51 0.00 0.00 37.83 36.25 1j12 s LYS 119 CO 0.19 -0.22 1.32 -1.54 -0.36 0.00 0.00 175.35 174.74 1j12 s SER 120 N 1.62 3.10 0.33 1.43 1.04 -0.03 -1.72 113.70 119.47 1j12 s SER 120 Ca -0.05 0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.65 1j12 s SER 120 Cb -0.12 -0.25 0.70 0.00 0.10 0.00 0.00 66.02 66.46 1j12 s SER 120 CO -0.06 -2.74 1.87 -0.33 0.98 0.00 0.00 173.24 172.96 1j12 h GLU 121 N -1.63 0.81 -0.50 4.02 5.08 -1.87 0.24 114.58 120.72 1j12 h GLU 121 Ca -0.44 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1j12 h GLU 121 Cb 1.23 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1j12 h GLU 121 CO 0.37 0.53 0.00 0.25 -1.00 0.00 0.00 179.01 179.16 1j12 n THR 122 N -4.56 0.67 -0.61 1.13 -2.24 -1.26 -4.94 114.28 102.46 1j12 n THR 122 Ca 0.17 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1j12 n THR 122 Cb 0.38 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.42 0.62 3.67 3.38 0.00 0.07 -5.05 105.19 109.31 1j12 n GLY 123 Ca 0.19 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 4.80 0.02 2.61 2.01 -1.26 -4.68 115.64 117.14 1j12 s THR 124 Ca 0.00 1.88 -0.23 0.00 0.31 0.00 0.00 61.69 63.65 1j12 s THR 124 Cb 0.00 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1j12 s THR 124 CO 0.00 -0.02 0.69 -0.69 -0.69 0.00 0.00 174.62 173.90 1j12 s VAL 125 N 2.31 4.80 -0.09 3.82 1.01 -1.26 -0.85 120.40 130.15 1j12 s VAL 125 Ca 0.43 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.90 1j12 s VAL 125 Cb -0.17 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1j12 s VAL 125 CO 0.13 0.39 -0.18 0.21 0.00 0.00 0.00 175.10 175.66 1j12 s ASN 126 N -0.14 2.47 -0.18 3.32 3.84 -0.23 -4.98 114.94 119.04 1j12 s ASN 126 Ca 0.35 -0.44 0.17 0.00 0.21 0.00 0.00 52.86 53.15 1j12 s ASN 126 Cb -0.19 -1.13 0.45 0.00 -0.55 0.00 0.00 41.25 39.83 1j12 s ASN 126 CO 0.20 0.08 1.18 0.29 -2.79 0.00 0.00 177.10 176.06 1j12 n LYS 127 N 3.77 1.67 0.00 0.43 5.02 -1.26 -1.77 118.16 126.01 1j12 n LYS 127 Ca -0.21 -3.20 0.14 0.00 -2.02 0.00 0.00 58.31 53.02 1j12 n LYS 127 Cb 0.52 -1.34 0.59 0.00 -0.02 0.00 0.00 35.03 34.78 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 -0.48 1.06 -3.54 1.97 0.28 -1.26 -4.80 120.64 113.87 1j12 n GLU 128 Ca 0.19 -0.47 -0.08 0.00 -0.16 0.00 0.00 57.16 56.63 1j12 n GLU 128 Cb 0.90 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 32.25 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 -2.26 0.00 0.41 3.84 -1.32 -1.26 -0.41 115.64 114.63 1j12 s THR 129 Ca 0.34 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.58 1j12 s THR 129 Cb 0.20 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.11 1j12 s THR 129 CO 0.43 0.00 1.06 -0.76 -2.21 0.00 0.00 174.62 173.14 1j12 s LEU 130 N -2.05 4.11 -0.07 9.08 1.43 -1.26 -4.81 118.68 125.10 1j12 s LEU 130 Ca 0.04 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 1j12 s LEU 130 Cb -0.01 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 1j12 s LEU 130 CO -0.05 -0.56 1.35 0.21 0.23 0.00 0.00 176.35 177.53 1j12 s ASN 131 N -1.56 6.90 0.47 2.29 3.84 0.48 -4.89 114.94 122.46 1j12 s ASN 131 Ca 0.59 1.93 0.19 0.00 0.21 0.00 0.00 52.86 55.78 1j12 s ASN 131 Cb -0.22 -2.55 1.05 0.00 -0.55 0.00 0.00 41.25 38.98 1j12 s ASN 131 CO 0.28 -0.74 1.54 1.55 -2.79 0.00 0.00 177.10 176.94 1j12 h PRO 132 N 8.14 0.00 0.00 0.43 0.13 -1.90 -0.97 132.00 137.82 1j12 h PRO 132 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 1j12 h PRO 132 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1j12 h PRO 132 CO 0.93 0.00 -0.48 -0.07 -0.23 0.00 0.00 178.00 178.15 1j12 h LEU 133 N 0.00 0.00 -5.43 1.56 3.38 -1.90 -3.28 115.31 109.64 1j12 h LEU 133 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 1j12 h LEU 133 Cb 0.65 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1j12 h LEU 133 CO 0.00 0.48 3.05 0.00 0.09 0.00 0.00 178.44 182.06 1j12 n ALA 134 N -2.43 7.00 0.29 1.53 0.00 -0.37 -4.70 120.51 121.83 1j12 n ALA 134 Ca -0.01 -3.85 0.18 0.00 0.00 0.00 0.00 53.44 49.76 1j12 n ALA 134 Cb 0.50 -3.08 0.85 0.00 0.00 0.00 0.00 19.45 17.72 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 4.91 0.00 -0.38 0.00 4.64 -1.80 -1.50 113.55 119.42 1j12 h SER 135 Ca 0.75 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.93 1j12 h SER 135 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1j12 h SER 135 CO 1.64 0.02 -0.34 -2.24 -0.87 0.00 0.00 176.83 175.04 1j12 h ASP 136 N 0.00 0.95 -0.00 4.97 2.03 -1.93 -0.19 116.42 122.24 1j12 h ASP 136 Ca -0.00 -0.46 -0.21 0.00 -0.73 0.00 0.00 57.03 55.63 1j12 h ASP 136 Cb 0.35 -0.27 0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1j12 h ASP 136 CO 0.00 1.21 -0.77 0.58 -1.03 0.00 0.00 179.24 179.23 1j12 h VAL 137 N 0.70 1.31 0.37 4.15 2.07 -1.82 -2.42 116.25 120.61 1j12 h VAL 137 Ca 0.06 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 1j12 h VAL 137 Cb 0.93 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1j12 h VAL 137 CO 0.09 0.64 -0.19 0.40 0.02 0.00 0.00 177.57 178.52 1j12 h ILE 138 N 0.45 0.61 -0.54 4.57 1.08 -1.22 -0.78 117.51 121.67 1j12 h ILE 138 Ca -0.05 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 1j12 h ILE 138 Cb 1.38 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 35.67 1j12 h ILE 138 CO 0.15 0.00 0.14 -0.09 -0.69 0.00 0.00 178.15 177.66 1j12 h ARG 139 N -0.51 0.28 0.70 2.37 2.43 -1.01 0.95 114.38 119.58 1j12 h ARG 139 Ca -0.05 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1j12 h ARG 139 Cb 0.40 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1j12 h ARG 139 CO 0.08 0.19 -0.33 -0.22 -1.51 0.00 0.00 179.97 178.17 1j12 h LYS 140 N 0.29 -0.90 -0.44 0.20 3.64 -1.27 -1.66 116.57 116.43 1j12 h LYS 140 Ca 0.28 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1j12 h LYS 140 Cb 0.37 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1j12 h LYS 140 CO -0.33 -0.60 0.16 0.93 -2.27 0.00 0.00 179.45 177.34 1j12 h GLU 141 N -1.08 0.67 -0.16 1.90 4.39 -1.01 -0.04 114.58 119.26 1j12 h GLU 141 Ca -0.10 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.30 1j12 h GLU 141 Cb 0.72 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1j12 h GLU 141 CO 0.16 0.64 -0.60 1.88 -1.16 0.00 0.00 179.01 179.92 1j12 h TYR 142 N 0.57 0.69 -0.63 4.33 -1.99 -0.94 -0.01 116.97 118.99 1j12 h TYR 142 Ca 0.14 -0.26 -0.02 0.00 2.00 0.00 0.00 58.73 60.59 1j12 h TYR 142 Cb 0.23 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.81 1j12 h TYR 142 CO 0.01 1.00 0.32 0.78 -0.00 0.00 0.00 178.16 180.27 1j12 h GLY 143 N 1.08 0.96 0.88 3.88 0.00 -1.13 0.48 103.07 109.22 1j12 h GLY 143 Ca -0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1j12 h GLY 143 CO 0.11 0.44 -0.13 0.83 0.00 0.00 0.00 176.54 177.80 1j12 h GLU 144 N 0.86 0.56 -0.45 4.80 5.08 -0.88 -2.62 114.58 121.93 1j12 h GLU 144 Ca 0.22 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1j12 h GLU 144 Cb 0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1j12 h GLU 144 CO -0.03 0.80 0.06 1.25 -1.00 0.00 0.00 179.01 180.09 1j12 h LEU 145 N 0.29 0.72 -0.13 1.33 5.85 -0.80 -1.38 115.31 121.20 1j12 h LEU 145 Ca 0.06 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1j12 h LEU 145 Cb 0.64 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1j12 h LEU 145 CO 0.04 0.81 0.04 1.88 -0.34 0.00 0.00 178.44 180.87 1j12 h TYR 146 N 0.61 0.21 0.02 1.25 0.99 -0.95 -0.08 116.97 119.01 1j12 h TYR 146 Ca 0.13 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1j12 h TYR 146 Cb 0.41 -0.06 -0.00 0.00 1.00 0.00 0.00 36.73 38.08 1j12 h TYR 146 CO 0.03 0.33 -0.03 1.15 -0.00 0.00 0.00 178.16 179.64 1j12 h THR 147 N 0.02 0.93 -0.91 -2.88 2.02 -1.45 0.16 112.91 110.80 1j12 h THR 147 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1j12 h THR 147 Cb 0.22 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1j12 h THR 147 CO -0.00 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.45 1j12 h ALA 148 N 0.92 1.27 -0.45 6.16 0.00 -1.21 -1.99 119.26 123.96 1j12 h ALA 148 Ca 0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1j12 h ALA 148 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1j12 h ALA 148 CO -0.02 0.64 -0.07 0.35 0.00 0.00 0.00 179.25 180.15 1j12 h PHE 149 N 1.26 0.93 -0.87 0.00 3.57 -0.67 -2.42 116.94 118.75 1j12 h PHE 149 Ca 0.33 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1j12 h PHE 149 Cb -0.08 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.39 1j12 h PHE 149 CO 0.00 0.92 0.57 0.00 -2.23 0.00 0.00 178.31 177.58 1j12 h ALA 150 N 0.88 1.10 -0.36 2.41 0.00 -0.11 -1.00 119.26 122.19 1j12 h ALA 150 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1j12 h ALA 150 Cb 0.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1j12 h ALA 150 CO 0.04 0.51 -0.31 0.00 0.00 0.00 0.00 179.25 179.48 1j12 h ALA 151 N 1.32 0.76 -0.10 0.00 0.00 -1.31 -1.76 119.26 118.17 1j12 h ALA 151 Ca 0.32 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1j12 h ALA 151 Cb -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j12 h ALA 151 CO -0.07 0.65 -0.67 0.00 0.00 0.00 0.00 179.25 179.17 1j12 h ALA 152 N 0.97 0.66 -0.00 0.00 0.00 -1.10 -3.18 119.26 116.61 1j12 h ALA 152 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1j12 h ALA 152 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1j12 h ALA 152 CO 0.07 0.74 -0.27 -1.33 0.00 0.00 0.00 179.25 178.47 1j12 n MET 153 N -3.87 0.50 -0.26 0.00 2.81 -0.41 -4.39 117.12 111.50 1j12 n MET 153 Ca -0.04 -0.25 0.06 0.00 -1.81 0.00 0.00 57.70 55.66 1j12 n MET 153 Cb 0.67 -1.49 0.17 0.00 -0.71 0.00 0.00 33.22 31.85 1j12 n MET 153 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1j12 h LYS 154 N 0.62 0.11 0.00 0.03 3.64 -1.29 0.97 116.57 120.65 1j12 h LYS 154 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1j12 h LYS 154 Cb 0.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1j12 h LYS 154 CO 0.00 0.07 0.00 -0.35 -2.27 0.00 0.00 179.45 176.90 1j12 n PRO 155 N -5.33 0.04 -0.17 1.90 -0.04 -1.26 -2.17 135.00 127.96 1j12 n PRO 155 Ca 0.14 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.95 1j12 n PRO 155 Cb 0.49 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.58 1j12 n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j12 n TYR 156 N -1.45 0.36 0.04 0.54 4.02 0.31 -4.72 117.16 116.27 1j12 n TYR 156 Ca 0.03 -0.67 0.21 0.00 -0.01 0.00 0.00 57.90 57.47 1j12 n TYR 156 Cb 0.11 -0.12 0.67 0.00 -0.02 0.00 0.00 39.34 39.98 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 1.07 0.00 0.00 -0.72 2.10 -1.17 -0.52 116.57 117.33 1j12 h LYS 157 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1j12 h LYS 157 Cb 0.87 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1j12 h LYS 157 CO 0.05 0.00 -0.06 0.38 -2.00 0.00 0.00 179.45 177.81 1j12 h ASP 158 N 0.00 0.00 -0.49 7.07 3.04 -1.85 -3.13 116.42 121.06 1j12 h ASP 158 Ca 0.25 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 1j12 h ASP 158 Cb 1.49 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.78 1j12 h ASP 158 CO -0.00 0.06 0.00 1.33 -2.04 0.00 0.00 179.24 178.59 1j12 n VAL 159 N -3.16 0.89 -3.46 4.15 0.24 -0.20 -4.89 118.33 111.90 1j12 n VAL 159 Ca 0.01 -0.95 -0.43 0.00 -2.04 0.00 0.00 64.34 60.94 1j12 n VAL 159 Cb 0.39 0.59 -0.09 0.00 -1.47 0.00 0.00 33.84 33.27 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 -1.05 4.99 0.07 1.34 1.01 -1.18 0.01 121.20 126.38 1j12 s ILE 160 Ca 0.35 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1j12 s ILE 160 Cb 0.19 -3.95 -0.24 0.00 0.01 0.00 0.00 42.46 38.47 1j12 s ILE 160 CO 0.25 -0.50 1.08 0.00 0.00 0.00 0.00 174.94 175.77 1j12 h ALA 161 N 8.64 0.37 -2.63 9.38 0.00 -1.55 -3.48 119.26 129.99 1j12 h ALA 161 Ca -0.27 -1.04 0.06 0.00 0.00 0.00 0.00 54.91 53.67 1j12 h ALA 161 Cb 1.11 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1j12 h ALA 161 CO 0.82 1.25 0.36 0.21 0.00 0.00 0.00 179.25 181.88 1j12 s LYS 162 N -2.67 1.12 -0.06 0.00 2.20 -1.25 -4.26 119.74 114.82 1j12 s LYS 162 Ca -0.02 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1j12 s LYS 162 Cb 0.09 0.49 0.00 0.00 -1.51 0.00 0.00 37.83 36.89 1j12 s LYS 162 CO 0.84 -0.50 -0.17 0.42 -0.36 0.00 0.00 175.35 175.58 1j12 s ILE 163 N -3.46 1.43 -0.05 5.43 1.01 -0.38 -3.59 121.20 121.60 1j12 s ILE 163 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1j12 s ILE 163 Cb -0.01 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1j12 s ILE 163 CO -0.08 0.42 -0.04 -0.31 0.00 0.00 0.00 174.94 174.93 1j12 s TYR 164 N 0.23 3.01 0.23 3.97 4.12 -0.37 -0.80 117.35 127.73 1j12 s TYR 164 Ca -0.08 0.06 0.08 0.00 0.02 0.00 0.00 57.07 57.15 1j12 s TYR 164 Cb -0.13 -1.70 -0.04 0.00 -1.52 0.00 0.00 41.96 38.56 1j12 s TYR 164 CO 0.03 0.40 0.06 -0.51 0.02 0.00 0.00 175.55 175.55 1j12 s LEU 165 N -1.07 3.45 -0.33 -1.29 1.43 -0.18 -1.80 118.68 118.89 1j12 s LEU 165 Ca 0.15 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 1j12 s LEU 165 Cb -0.11 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1j12 s LEU 165 CO 0.04 0.02 0.15 -0.55 0.23 0.00 0.00 176.35 176.25 1j12 s SER 166 N -3.45 5.50 0.00 2.29 0.15 -1.24 -4.48 113.70 112.47 1j12 s SER 166 Ca 0.31 -0.77 0.22 0.00 0.70 0.00 0.00 55.95 56.41 1j12 s SER 166 Cb -0.08 -1.97 0.81 0.00 -1.71 0.00 0.00 66.02 63.06 1j12 s SER 166 CO 0.21 -0.27 1.59 0.61 1.20 0.00 0.00 173.24 176.58 1j12 n GLY 167 N 4.95 0.26 0.00 9.45 0.00 -1.25 -4.78 105.19 113.81 1j12 n GLY 167 Ca -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.15 -0.55 3.67 -0.02 0.00 -0.66 -4.09 105.19 104.69 1j12 n GLY 168 Ca 0.17 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 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 2.08 -1.82 1.61 -0.02 -1.23 -1.22 135.00 134.39 1j12 n PRO 169 Ca 0.00 0.74 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 1j12 n PRO 169 Cb 0.00 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 30.98 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 2.45 -0.41 -1.12 3.55 0.00 -1.26 -1.87 120.51 121.86 1j12 n ALA 170 Ca 0.13 0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.79 1j12 n ALA 170 Cb 0.30 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.55 0.70 3.47 0.00 0.00 -0.36 -5.04 105.19 103.41 1j12 n GLY 171 Ca -0.20 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.12 2.11 -0.78 1.61 2.02 -0.78 -3.90 118.70 116.87 1j12 s GLU 172 Ca 0.00 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 53.77 1j12 s GLU 172 Cb 0.00 -2.21 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 1j12 s GLU 172 CO 0.00 0.54 1.73 -1.17 0.02 0.00 0.00 175.26 176.39 1j12 s LEU 173 N -1.46 3.26 0.09 1.80 2.96 0.16 -1.66 118.68 123.84 1j12 s LEU 173 Ca 0.15 -0.35 -0.26 0.00 -0.22 0.00 0.00 54.13 53.45 1j12 s LEU 173 Cb -0.11 -2.55 0.09 0.00 0.50 0.00 0.00 46.19 44.12 1j12 s LEU 173 CO 0.06 -2.28 1.14 0.00 -1.32 0.00 0.00 176.35 173.94 1j12 s ARG 174 N 6.53 0.88 0.12 1.98 1.70 -1.26 -4.62 118.95 124.27 1j12 s ARG 174 Ca 0.60 -0.54 -0.08 0.00 -0.47 0.00 0.00 55.73 55.24 1j12 s ARG 174 Cb -0.08 0.26 -0.06 0.00 -0.57 0.00 0.00 34.95 34.50 1j12 s ARG 174 CO 0.09 -0.41 0.41 0.71 -1.08 0.00 0.00 175.30 175.02 1j12 s TYR 175 N -2.39 3.53 -1.54 5.89 1.51 0.04 -4.37 117.35 120.02 1j12 s TYR 175 Ca 0.20 0.71 -0.12 0.00 -1.01 0.00 0.00 57.07 56.86 1j12 s TYR 175 Cb -0.00 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1j12 s TYR 175 CO 0.01 0.46 2.59 -0.35 -1.11 0.00 0.00 175.55 177.16 1j12 n PRO 176 N 0.51 3.26 0.18 -1.71 -0.04 -1.26 -4.63 135.00 131.31 1j12 n PRO 176 Ca -0.05 -2.40 0.13 0.00 -0.04 0.00 0.00 63.50 61.14 1j12 n PRO 176 Cb 0.52 -3.04 0.30 0.00 -0.04 0.00 0.00 33.50 31.24 1j12 n PRO 176 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j12 h SER 177 N 5.52 0.00 -4.05 3.54 4.64 -1.82 -3.41 113.55 117.97 1j12 h SER 177 Ca 0.72 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 61.41 1j12 h SER 177 Cb 0.46 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.14 1j12 h SER 177 CO 1.84 0.00 -0.64 -0.72 -0.87 0.00 0.00 176.83 176.44 1j12 s TYR 178 N -3.21 3.09 0.08 4.77 -0.85 -1.26 -3.20 117.35 116.76 1j12 s TYR 178 Ca 0.08 -3.11 0.06 0.00 -0.52 0.00 0.00 57.07 53.57 1j12 s TYR 178 Cb 0.08 -2.68 -0.03 0.00 0.38 0.00 0.00 41.96 39.71 1j12 s TYR 178 CO 0.62 -0.71 -0.16 0.95 -1.52 0.00 0.00 175.55 174.73 1j12 s THR 179 N -0.42 1.30 0.15 -3.49 -4.23 -1.26 -4.67 115.64 103.02 1j12 s THR 179 Ca 0.19 -1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1j12 s THR 179 Cb -0.22 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.43 1j12 s THR 179 CO -0.03 -0.15 1.62 0.71 -0.54 0.00 0.00 174.62 176.23 1j12 h THR 180 N 4.25 1.25 0.00 3.99 1.35 -1.91 -0.53 112.91 121.31 1j12 h THR 180 Ca -0.42 -0.96 -0.02 0.00 -0.55 0.00 0.00 66.41 64.45 1j12 h THR 180 Cb 1.19 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1j12 h THR 180 CO 0.40 0.34 -0.11 0.77 -0.25 0.00 0.00 175.52 176.67 1j12 h SER 181 N 0.69 0.00 0.38 5.36 4.64 -1.97 0.25 113.55 122.90 1j12 h SER 181 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1j12 h SER 181 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1j12 h SER 181 CO 0.01 0.11 -0.21 -0.67 -0.87 0.00 0.00 176.83 175.20 1j12 n ASP 182 N -4.40 0.65 -0.97 4.97 4.64 -1.08 -4.92 116.55 115.44 1j12 n ASP 182 Ca -0.03 -0.57 -0.11 0.00 -1.38 0.00 0.00 54.79 52.70 1j12 n ASP 182 Cb 0.18 0.02 -0.03 0.00 -1.04 0.00 0.00 41.12 40.25 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 1.35 0.83 1.15 0.27 0.00 0.88 -4.90 105.19 104.76 1j12 n GLY 183 Ca 0.12 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.08 1.98 -0.81 2.61 -2.24 -0.28 -4.96 114.28 107.49 1j12 n THR 184 Ca -0.12 -1.46 -0.30 0.00 -2.27 0.00 0.00 64.05 59.90 1j12 n THR 184 Cb 0.43 -0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.33 1.65 0.39 3.38 0.00 -1.18 -4.18 107.32 106.04 1j12 s GLY 185 Ca 0.42 0.33 -0.27 0.00 0.00 0.00 0.00 44.72 45.21 1j12 s GLY 185 CO 0.15 0.81 1.31 2.98 0.00 0.00 0.00 173.10 178.35 1j12 n TYR 186 N -4.23 2.33 -0.62 1.90 9.36 -1.26 -0.85 117.16 123.79 1j12 n TYR 186 Ca 0.09 0.51 -0.05 0.00 3.32 0.00 0.00 57.90 61.77 1j12 n TYR 186 Cb 0.53 -2.42 0.25 0.00 -0.63 0.00 0.00 39.34 37.07 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 3.22 -1.12 2.98 -0.04 -1.26 -5.12 135.00 133.95 1j12 n PRO 187 Ca 0.05 -2.46 -0.31 0.00 -0.04 0.00 0.00 63.50 60.73 1j12 n PRO 187 Cb 0.38 -2.04 0.11 0.00 -0.04 0.00 0.00 33.50 31.91 1j12 n PRO 187 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1j12 s SER 188 N -0.71 3.98 0.74 3.54 0.01 -0.03 -4.60 113.70 116.63 1j12 s SER 188 Ca 0.44 2.01 -0.12 0.00 1.31 0.00 0.00 55.95 59.59 1j12 s SER 188 Cb 0.35 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 64.08 1j12 s SER 188 CO 0.11 -2.39 1.09 0.00 0.41 0.00 0.00 173.24 172.46 1j12 s ARG 189 N -4.67 2.45 0.48 12.44 1.70 -1.26 -4.78 118.95 125.30 1j12 s ARG 189 Ca 0.65 1.21 0.05 0.00 -0.47 0.00 0.00 55.73 57.17 1j12 s ARG 189 Cb -0.20 -1.92 0.02 0.00 -0.57 0.00 0.00 34.95 32.28 1j12 s ARG 189 CO 0.55 -1.50 0.66 0.20 -1.08 0.00 0.00 175.30 174.12 1j12 s GLY 190 N -3.20 1.90 0.03 3.88 0.00 -0.75 -4.73 107.32 104.45 1j12 s GLY 190 Ca 0.62 -1.54 0.05 0.00 0.00 0.00 0.00 44.72 43.85 1j12 s GLY 190 CO 0.52 -1.31 -0.10 0.54 0.00 0.00 0.00 173.10 172.75 1j12 s LYS 191 N -4.53 2.36 0.55 2.90 1.02 -1.20 -4.83 119.74 116.02 1j12 s LYS 191 Ca 0.56 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 55.51 1j12 s LYS 191 Cb -0.10 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1j12 s LYS 191 CO 0.35 0.57 1.18 -0.06 -0.92 0.00 0.00 175.35 176.47 1j12 s PHE 192 N -1.03 2.56 -0.36 3.18 0.40 -1.26 -4.57 117.98 116.90 1j12 s PHE 192 Ca 0.18 1.52 0.06 0.00 -0.60 0.00 0.00 56.93 58.09 1j12 s PHE 192 Cb -0.11 -3.41 0.45 0.00 0.51 0.00 0.00 43.02 40.45 1j12 s PHE 192 CO 0.09 -1.91 1.24 1.04 0.70 0.00 0.00 175.22 176.37 1j12 n GLN 193 N -1.28 3.51 -2.48 0.44 1.13 -1.26 -2.95 117.38 114.48 1j12 n GLN 193 Ca 0.12 -4.18 -0.23 0.00 -1.94 0.00 0.00 57.00 50.76 1j12 n GLN 193 Cb 0.50 -2.27 0.01 0.00 0.11 0.00 0.00 30.24 28.58 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 -0.67 4.73 -0.31 -1.58 0.00 -1.24 -4.33 120.51 117.11 1j12 n ALA 194 Ca 0.44 -4.05 0.06 0.00 0.00 0.00 0.00 53.44 49.89 1j12 n ALA 194 Cb 0.87 -0.60 0.16 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.43 0.50 -1.76 0.00 4.02 -0.70 -4.33 117.16 114.47 1j12 n TYR 195 Ca 0.34 -0.57 -0.31 0.00 -0.01 0.00 0.00 57.90 57.34 1j12 n TYR 195 Cb 0.72 -0.08 0.03 0.00 -0.02 0.00 0.00 39.34 39.99 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 -1.34 4.05 0.27 -0.72 -4.23 -1.26 -4.86 115.64 107.55 1j12 s THR 196 Ca 0.25 0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 61.48 1j12 s THR 196 Cb 0.15 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.81 1j12 s THR 196 CO 0.13 -0.78 1.91 -0.33 -0.54 0.00 0.00 174.62 175.01 1j12 h GLU 197 N -0.31 1.19 -0.39 3.99 4.39 -1.94 -1.45 114.58 120.07 1j12 h GLU 197 Ca -0.45 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 1j12 h GLU 197 Cb 1.21 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1j12 h GLU 197 CO 0.58 0.79 0.21 0.35 -1.16 0.00 0.00 179.01 179.77 1j12 h PHE 198 N 1.23 0.53 -0.78 4.33 3.57 -1.92 -1.00 116.94 122.90 1j12 h PHE 198 Ca 0.40 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 1j12 h PHE 198 Cb 0.03 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1j12 h PHE 198 CO -0.00 0.42 0.44 0.00 -2.23 0.00 0.00 178.31 176.94 1j12 h ALA 199 N 1.07 1.00 -0.48 2.41 0.00 -1.76 -0.62 119.26 120.88 1j12 h ALA 199 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1j12 h ALA 199 Cb 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1j12 h ALA 199 CO -0.02 0.50 0.04 0.87 0.00 0.00 0.00 179.25 180.64 1j12 h LYS 200 N 1.08 0.77 -0.33 0.00 1.57 -0.99 -1.92 116.57 116.76 1j12 h LYS 200 Ca 0.28 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1j12 h LYS 200 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1j12 h LYS 200 CO -0.05 0.76 -0.03 0.77 -0.57 0.00 0.00 179.45 180.33 1j12 h SER 201 N 0.73 0.60 -0.24 0.86 0.02 -0.48 -2.50 113.55 112.55 1j12 h SER 201 Ca 0.15 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1j12 h SER 201 Cb 0.39 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1j12 h SER 201 CO 0.01 0.79 0.07 0.11 -1.14 0.00 0.00 176.83 176.67 1j12 h LYS 202 N 0.40 0.38 -0.41 3.45 1.79 -0.96 -2.00 116.57 119.21 1j12 h LYS 202 Ca 0.09 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1j12 h LYS 202 Cb 0.51 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 1j12 h LYS 202 CO 0.02 0.47 0.18 0.35 -1.08 0.00 0.00 179.45 179.40 1j12 h PHE 203 N 0.22 0.34 -0.58 -1.35 3.57 -1.38 -1.12 116.94 116.63 1j12 h PHE 203 Ca 0.08 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1j12 h PHE 203 Cb 0.25 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1j12 h PHE 203 CO 0.01 0.16 0.29 -0.09 -2.23 0.00 0.00 178.31 176.45 1j12 h ARG 204 N 0.38 0.52 -0.61 1.11 2.43 -1.32 -1.05 114.38 115.83 1j12 h ARG 204 Ca 0.18 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1j12 h ARG 204 Cb 0.11 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1j12 h ARG 204 CO -0.15 0.34 0.03 -0.07 -1.51 0.00 0.00 179.97 178.61 1j12 h LEU 205 N 0.54 1.04 -0.48 3.80 4.07 -1.00 -1.38 115.31 121.90 1j12 h LEU 205 Ca 0.27 -0.30 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1j12 h LEU 205 Cb 0.22 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1j12 h LEU 205 CO -0.20 1.08 0.28 -0.25 -1.08 0.00 0.00 178.44 178.26 1j12 h TRP 206 N 0.97 0.52 0.02 1.13 7.01 -0.42 0.23 115.95 125.41 1j12 h TRP 206 Ca 0.18 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1j12 h TRP 206 Cb 0.53 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1j12 h TRP 206 CO 0.04 0.29 -0.01 0.28 -2.79 0.00 0.00 178.44 176.25 1j12 h VAL 207 N 0.55 1.20 0.00 2.65 2.07 -1.05 -1.77 116.25 119.90 1j12 h VAL 207 Ca 0.20 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1j12 h VAL 207 Cb 0.03 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1j12 h VAL 207 CO -0.10 0.17 -0.16 -0.07 0.02 0.00 0.00 177.57 177.43 1j12 h LEU 208 N -0.30 0.00 -0.61 2.57 3.38 -1.05 -0.51 115.31 118.78 1j12 h LEU 208 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1j12 h LEU 208 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1j12 h LEU 208 CO 0.00 0.16 -0.48 -1.13 0.09 0.00 0.00 178.44 177.08 1j12 h ASN 209 N 0.00 0.58 -0.10 -0.43 -0.73 -0.39 0.21 115.58 114.73 1j12 h ASN 209 Ca -0.00 -0.28 -0.09 0.00 1.87 0.00 0.00 56.30 57.80 1j12 h ASN 209 Cb 0.28 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1j12 h ASN 209 CO 0.02 0.97 -0.28 0.50 -0.37 0.00 0.00 177.43 178.27 1j12 h LYS 210 N 0.43 0.36 0.00 6.67 3.64 -0.30 -3.37 116.57 123.99 1j12 h LYS 210 Ca 0.02 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1j12 h LYS 210 Cb 1.00 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1j12 h LYS 210 CO 0.09 0.88 -1.72 0.66 -2.27 0.00 0.00 179.45 177.09 1j12 n TYR 211 N -4.45 0.35 0.00 1.91 4.02 -0.33 -5.01 117.16 113.66 1j12 n TYR 211 Ca -0.08 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1j12 n TYR 211 Cb 0.47 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 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 1.30 1.97 3.24 2.72 0.00 0.72 -4.73 105.19 110.41 1j12 n GLY 212 Ca -0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.09 -0.04 0.46 1.61 1.04 -1.26 -4.97 113.70 110.63 1j12 s SER 213 Ca 0.00 -0.39 0.14 0.00 0.48 0.00 0.00 55.95 56.18 1j12 s SER 213 Cb 0.00 0.36 1.06 0.00 0.10 0.00 0.00 66.02 67.54 1j12 s SER 213 CO 0.00 -0.68 2.04 0.25 0.98 0.00 0.00 173.24 175.83 1j12 h LEU 214 N 2.96 0.06 -0.60 2.42 5.85 -1.96 -1.94 115.31 122.11 1j12 h LEU 214 Ca -0.33 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1j12 h LEU 214 Cb 1.21 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1j12 h LEU 214 CO 0.50 0.16 0.32 0.78 -0.34 0.00 0.00 178.44 179.85 1j12 h ASN 215 N 0.07 0.75 0.22 1.25 4.21 -1.95 -1.42 115.58 118.71 1j12 h ASN 215 Ca 0.02 -0.10 -0.15 0.00 1.21 0.00 0.00 56.30 57.27 1j12 h ASN 215 Cb 0.19 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1j12 h ASN 215 CO 0.01 0.64 -0.59 -0.33 -1.29 0.00 0.00 177.43 175.88 1j12 h GLU 216 N 0.81 0.38 -0.28 0.81 4.39 -1.67 -2.81 114.58 116.21 1j12 h GLU 216 Ca 0.21 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1j12 h GLU 216 Cb 0.06 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1j12 h GLU 216 CO -0.03 0.85 0.12 0.28 -1.16 0.00 0.00 179.01 179.07 1j12 h VAL 217 N 0.28 1.17 -0.59 3.13 2.07 -0.98 -2.02 116.25 119.31 1j12 h VAL 217 Ca -0.00 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1j12 h VAL 217 Cb 1.11 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1j12 h VAL 217 CO 0.10 0.18 0.24 0.78 0.02 0.00 0.00 177.57 178.88 1j12 h ASN 218 N 0.30 0.78 -0.12 0.57 2.35 -1.27 0.77 115.58 118.96 1j12 h ASN 218 Ca 0.09 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1j12 h ASN 218 Cb 0.17 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1j12 h ASN 218 CO -0.01 0.70 0.04 0.11 -1.65 0.00 0.00 177.43 176.62 1j12 h LYS 219 N 0.84 0.18 -0.39 0.81 1.57 -1.29 0.53 116.57 118.82 1j12 h LYS 219 Ca 0.20 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 1j12 h LYS 219 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1j12 h LYS 219 CO -0.02 0.33 -0.24 0.00 -0.57 0.00 0.00 179.45 178.95 1j12 h ALA 220 N 0.85 0.55 0.00 3.86 0.00 -1.13 -3.25 119.26 120.14 1j12 h ALA 220 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1j12 h ALA 220 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j12 h ALA 220 CO -0.00 0.54 -0.81 -1.49 0.00 0.00 0.00 179.25 177.49 1j12 h TRP 221 N 0.65 0.00 -2.88 0.00 6.55 -0.87 -3.45 115.95 115.95 1j12 h TRP 221 Ca 0.08 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.82 1j12 h TRP 221 Cb 0.81 0.00 0.05 0.00 -0.86 0.00 0.00 29.16 29.16 1j12 h TRP 221 CO 0.06 0.36 -0.21 0.41 -1.05 0.00 0.00 178.44 178.01 1j12 n GLY 222 N 1.25 0.28 3.27 1.49 0.00 0.18 -4.72 105.19 106.94 1j12 n GLY 222 Ca -0.02 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1j12 n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j12 n THR 223 N -2.11 0.00 -2.49 2.61 -2.24 -0.66 -5.04 114.28 104.34 1j12 n THR 223 Ca -0.06 -2.21 -0.11 0.00 -2.27 0.00 0.00 64.05 59.39 1j12 n THR 223 Cb 0.54 0.57 0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1j12 n THR 223 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j12 n LYS 224 N -1.05 2.51 -1.79 -0.78 4.76 -1.26 -4.76 118.16 115.79 1j12 n LYS 224 Ca -0.14 -3.80 -0.42 0.00 -2.87 0.00 0.00 58.31 51.08 1j12 n LYS 224 Cb 0.58 -1.88 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 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 4.37 -0.02 -0.35 1.43 -1.26 -4.89 118.68 114.30 1j12 s LEU 225 Ca 0.37 2.77 0.14 0.00 -1.03 0.00 0.00 54.13 56.38 1j12 s LEU 225 Cb 0.37 -3.59 -0.20 0.00 0.03 0.00 0.00 46.19 42.79 1j12 s LEU 225 CO -0.01 -0.94 0.68 -0.38 0.23 0.00 0.00 176.35 175.93 1j12 n ILE 226 N 4.14 1.44 -4.22 -0.59 2.08 -1.26 -4.96 119.36 116.00 1j12 n ILE 226 Ca 0.16 -0.76 -0.15 0.00 0.56 0.00 0.00 62.75 62.56 1j12 n ILE 226 Cb 0.37 -0.90 -0.10 0.00 -0.75 0.00 0.00 39.64 38.26 1j12 n ILE 226 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1j12 s SER 227 N -5.93 1.66 0.49 4.38 0.15 -1.26 -5.03 113.70 108.16 1j12 s SER 227 Ca -0.04 -0.91 0.28 0.00 0.70 0.00 0.00 55.95 55.97 1j12 s SER 227 Cb 0.08 -0.01 1.06 0.00 -1.71 0.00 0.00 66.02 65.44 1j12 s SER 227 CO 0.82 -0.29 1.87 -0.33 1.20 0.00 0.00 173.24 176.52 1j12 h GLU 228 N 3.17 0.00 0.00 5.44 5.08 -1.98 -2.38 114.58 123.90 1j12 h GLU 228 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1j12 h GLU 228 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1j12 h GLU 228 CO 0.58 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 179.99 1j12 n LEU 229 N -3.24 0.00 0.02 1.33 4.32 -1.26 -1.99 117.00 116.17 1j12 n LEU 229 Ca 0.01 0.38 0.13 0.00 -0.02 0.00 0.00 56.01 56.50 1j12 n LEU 229 Cb 0.39 -0.38 0.35 0.00 -1.62 0.00 0.00 43.42 42.16 1j12 n LEU 229 CO 0.31 -0.14 0.61 0.00 -1.22 0.00 0.00 177.39 176.95 1j12 n ALA 230 N -1.38 2.98 -2.51 -1.18 0.00 -0.90 -4.72 120.51 112.81 1j12 n ALA 230 Ca 0.07 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1j12 n ALA 230 Cb 0.18 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.04 4.11 0.17 0.00 1.01 -0.84 -4.97 121.20 117.65 1j12 s ILE 231 Ca 0.11 1.15 -0.05 0.00 0.00 0.00 0.00 60.65 61.86 1j12 s ILE 231 Cb 0.17 -4.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1j12 s ILE 231 CO 0.65 -0.88 0.19 -0.76 0.00 0.00 0.00 174.94 174.13 1j12 s LEU 232 N 4.74 1.19 0.98 2.97 1.43 -1.26 -4.75 118.68 123.99 1j12 s LEU 232 Ca 0.53 -1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 1j12 s LEU 232 Cb -0.10 0.74 0.18 0.00 0.03 0.00 0.00 46.19 47.04 1j12 s LEU 232 CO 0.31 -0.86 1.13 -2.16 0.23 0.00 0.00 176.35 175.01 1j12 s PRO 233 N -4.06 0.58 0.13 1.29 0.04 -1.26 -4.92 135.00 126.81 1j12 s PRO 233 Ca 0.27 0.26 -0.35 0.00 0.04 0.00 0.00 61.00 61.21 1j12 s PRO 233 Cb 0.05 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.66 1j12 s PRO 233 CO 0.05 -2.57 1.44 -0.35 0.04 0.00 0.00 177.00 175.61 1j12 n PRO 234 N -4.02 1.64 0.11 0.56 -0.04 -1.26 -4.90 135.00 127.09 1j12 n PRO 234 Ca 0.07 0.59 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1j12 n PRO 234 Cb 0.59 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.78 1j12 n PRO 234 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j12 h SER 235 N 5.05 0.00 -3.31 3.54 4.64 -2.01 -3.41 113.55 118.06 1j12 h SER 235 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 1j12 h SER 235 Cb 1.30 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.99 1j12 h SER 235 CO 0.82 0.72 -0.76 -0.62 -0.87 0.00 0.00 176.83 176.12 1j12 s ASP 236 N -6.62 3.90 0.24 4.97 3.68 -1.26 -5.02 116.67 116.57 1j12 s ASP 236 Ca 0.02 -1.49 -0.06 0.00 2.13 0.00 0.00 52.55 53.15 1j12 s ASP 236 Cb 0.10 -0.95 0.24 0.00 -1.45 0.00 0.00 42.92 40.86 1j12 s ASP 236 CO 0.77 -0.36 1.91 1.23 0.13 0.00 0.00 175.17 178.85 1j12 h GLY 237 N 8.04 1.38 1.00 2.66 0.00 -1.98 0.29 103.07 114.47 1j12 h GLY 237 Ca -0.14 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 1j12 h GLY 237 CO 0.45 0.53 -0.07 -2.09 0.00 0.00 0.00 176.54 175.36 1j12 h GLU 238 N 1.32 0.83 -0.51 4.80 4.81 -1.95 0.92 114.58 124.81 1j12 h GLU 238 Ca 0.35 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1j12 h GLU 238 Cb -0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1j12 h GLU 238 CO -0.07 0.93 -0.07 0.37 -0.73 0.00 0.00 179.01 179.44 1j12 h GLN 239 N 0.67 0.90 -0.53 1.92 -0.00 -1.93 -1.36 115.11 114.78 1j12 h GLN 239 Ca 0.12 -0.29 -0.09 0.00 -0.00 0.00 0.00 58.65 58.38 1j12 h GLN 239 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.98 1j12 h GLN 239 CO 0.04 0.94 -0.03 0.35 0.00 0.00 0.00 178.83 180.13 1j12 h PHE 240 N 0.82 1.00 0.00 3.99 3.57 -0.64 -1.99 116.94 123.69 1j12 h PHE 240 Ca 0.14 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1j12 h PHE 240 Cb 0.58 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1j12 h PHE 240 CO 0.03 0.91 0.00 -0.07 -2.23 0.00 0.00 178.31 176.96 1j12 h LEU 241 N 0.85 0.00 0.00 0.59 3.38 -0.44 0.53 115.31 120.21 1j12 h LEU 241 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1j12 h LEU 241 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1j12 h LEU 241 CO 0.03 0.00 -0.31 0.24 0.09 0.00 0.00 178.44 178.49 1j12 h MET 242 N 0.00 0.00 0.00 1.13 2.86 -0.69 -3.38 114.93 114.85 1j12 h MET 242 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j12 h MET 242 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1j12 h MET 242 CO 0.00 0.75 0.00 0.27 1.06 0.00 0.00 176.91 178.99 1j12 n ASN 243 N -4.60 0.00 -0.31 1.22 6.94 -0.80 -4.90 115.26 112.81 1j12 n ASN 243 Ca -0.13 -0.02 -0.03 0.00 -0.02 0.00 0.00 54.58 54.38 1j12 n ASN 243 Cb 0.42 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 37.96 1j12 n ASN 243 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1j12 h GLY 244 N 0.00 1.30 2.00 4.83 0.00 -0.97 -2.52 103.07 107.71 1j12 h GLY 244 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1j12 h GLY 244 CO 0.00 0.56 -0.00 0.10 0.00 0.00 0.00 176.54 177.20 1j12 h TYR 245 N 1.22 0.00 0.00 5.60 -0.00 -1.24 -2.60 116.97 119.96 1j12 h TYR 245 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.00 1j12 h TYR 245 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.74 1j12 h TYR 245 CO 0.01 0.00 -0.20 -0.07 -0.00 0.00 0.00 178.16 177.90 1j12 h LEU 246 N 0.00 0.00-10.51 0.10 3.38 -1.74 -3.31 115.31 103.24 1j12 h LEU 246 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1j12 h LEU 246 Cb 0.01 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.87 1j12 h LEU 246 CO 0.00 0.20 0.35 -0.94 0.09 0.00 0.00 178.44 178.14 1j12 s SER 247 N -6.19 4.20 0.24 -0.43 1.04 -0.98 -4.85 113.70 106.73 1j12 s SER 247 Ca 0.03 1.01 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 1j12 s SER 247 Cb 0.08 -1.62 0.25 0.00 0.10 0.00 0.00 66.02 64.83 1j12 s SER 247 CO 0.66 -2.12 1.77 -0.03 0.98 0.00 0.00 173.24 174.50 1j12 h MET 248 N -1.20 1.01 -0.42 4.02 4.05 -1.87 0.23 114.93 120.75 1j12 h MET 248 Ca -0.48 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 58.72 1j12 h MET 248 Cb 1.31 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 1j12 h MET 248 CO 0.63 0.89 0.27 -0.92 0.23 0.00 0.00 176.91 178.00 1j12 h TYR 249 N 0.97 0.54 -0.64 1.39 3.20 -1.86 -1.17 116.97 119.39 1j12 h TYR 249 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1j12 h TYR 249 Cb 0.32 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1j12 h TYR 249 CO 0.02 0.36 0.31 0.78 -1.64 0.00 0.00 178.16 177.99 1j12 h GLY 250 N 0.56 0.99 0.78 1.82 0.00 -1.47 -0.61 103.07 105.15 1j12 h GLY 250 Ca 0.15 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.01 1j12 h GLY 250 CO -0.03 0.47 0.04 0.50 0.00 0.00 0.00 176.54 177.52 1j12 h LYS 251 N 0.89 0.12 -0.37 4.80 6.56 -0.66 -1.12 116.57 126.78 1j12 h LYS 251 Ca 0.22 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.79 1j12 h LYS 251 Cb 0.12 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1j12 h LYS 251 CO -0.03 0.08 0.16 -0.44 -2.06 0.00 0.00 179.45 177.17 1j12 h ASP 252 N 0.13 0.50 -0.52 0.86 3.32 -0.96 -1.29 116.42 118.46 1j12 h ASP 252 Ca 0.09 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1j12 h ASP 252 Cb 0.08 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1j12 h ASP 252 CO -0.12 0.51 0.32 0.22 -1.72 0.00 0.00 179.24 178.45 1j12 h TYR 253 N 0.46 0.68 -0.06 4.55 3.20 -0.91 -1.33 116.97 123.56 1j12 h TYR 253 Ca 0.13 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 1j12 h TYR 253 Cb 0.15 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1j12 h TYR 253 CO -0.01 0.46 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.41 1j12 h LEU 254 N 0.69 0.18 0.09 2.82 3.38 -1.14 0.20 115.31 121.53 1j12 h LEU 254 Ca 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1j12 h LEU 254 Cb -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1j12 h LEU 254 CO -0.04 0.65 -0.04 -0.08 0.09 0.00 0.00 178.44 179.02 1j12 h GLU 255 N 0.13 -0.11 -0.10 1.13 4.81 -0.88 -1.18 114.58 118.38 1j12 h GLU 255 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1j12 h GLU 255 Cb 0.93 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1j12 h GLU 255 CO 0.07 0.06 0.05 2.35 -0.73 0.00 0.00 179.01 180.81 1j12 h TRP 256 N -0.26 0.14 0.02 0.92 7.01 -1.13 0.20 115.95 122.85 1j12 h TRP 256 Ca -0.01 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1j12 h TRP 256 Cb 0.22 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 1j12 h TRP 256 CO -0.02 0.18 -0.25 -0.92 -2.79 0.00 0.00 178.44 174.64 1j12 h TYR 257 N 0.05 -0.66 -0.06 2.65 3.20 -0.54 -2.22 116.97 119.39 1j12 h TYR 257 Ca 0.03 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 1j12 h TYR 257 Cb 0.09 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1j12 h TYR 257 CO -0.04 -0.34 -0.54 0.37 -1.64 0.00 0.00 178.16 175.97 1j12 h GLN 258 N -0.40 0.16 -0.35 1.82 4.15 -1.22 -3.11 115.11 116.17 1j12 h GLN 258 Ca 0.06 -0.10 0.07 0.00 0.77 0.00 0.00 58.65 59.45 1j12 h GLN 258 Cb 0.47 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1j12 h GLN 258 CO -0.21 0.66 0.24 0.78 -1.93 0.00 0.00 178.83 178.37 1j12 h GLY 259 N 1.47 0.19 1.02 2.39 0.00 -0.03 -1.51 103.07 106.61 1j12 h GLY 259 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1j12 h GLY 259 CO 0.08 0.04 0.25 -2.22 0.00 0.00 0.00 176.54 174.69 1j12 h ILE 260 N 0.15 1.25 0.00 2.60 1.08 -1.34 -1.07 117.51 120.17 1j12 h ILE 260 Ca 0.16 -0.80 -0.09 0.00 -0.39 0.00 0.00 64.86 63.74 1j12 h ILE 260 Cb 0.44 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1j12 h ILE 260 CO -0.02 0.31 -0.43 -0.07 -0.69 0.00 0.00 178.15 177.26 1j12 h LEU 261 N 0.97 0.00 -0.15 1.44 3.38 -1.44 -1.47 115.31 118.05 1j12 h LEU 261 Ca 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1j12 h LEU 261 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1j12 h LEU 261 CO -0.01 0.43 -0.43 -0.33 0.09 0.00 0.00 178.44 178.19 1j12 h GLU 262 N 0.00 0.55 -0.68 1.13 5.08 -0.96 -2.20 114.58 117.51 1j12 h GLU 262 Ca -0.00 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 1j12 h GLU 262 Cb 0.89 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1j12 h GLU 262 CO 0.06 1.01 0.14 -0.91 -1.00 0.00 0.00 179.01 178.31 1j12 h ASN 263 N 0.18 1.04 -0.69 1.42 2.35 -1.12 -2.38 115.58 116.38 1j12 h ASN 263 Ca -0.01 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1j12 h ASN 263 Cb 1.05 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 1j12 h ASN 263 CO 0.09 1.01 0.42 -0.74 -1.65 0.00 0.00 177.43 176.56 1j12 h HIS 264 N 1.03 0.91 -0.65 1.19 2.76 -1.24 -1.07 115.15 118.08 1j12 h HIS 264 Ca 0.21 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1j12 h HIS 264 Cb 0.39 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 1j12 h HIS 264 CO 0.03 0.61 0.42 1.15 -1.30 0.00 0.00 177.93 178.84 1j12 h THR 265 N 0.94 1.17 -0.11 6.26 2.02 -1.06 -1.19 112.91 120.96 1j12 h THR 265 Ca 0.25 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 1j12 h THR 265 Cb -0.04 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1j12 h THR 265 CO -0.05 0.17 -0.44 0.11 0.37 0.00 0.00 175.52 175.68 1j12 h LYS 266 N 0.88 0.25 0.55 6.66 1.57 -1.09 -2.23 116.57 123.16 1j12 h LYS 266 Ca 0.24 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1j12 h LYS 266 Cb -0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.23 1j12 h LYS 266 CO -0.05 0.64 -0.27 1.25 -0.57 0.00 0.00 179.45 180.46 1j12 h LEU 267 N 0.21 -0.63 -2.37 2.94 5.85 -0.70 -2.13 115.31 118.48 1j12 h LEU 267 Ca 0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1j12 h LEU 267 Cb 0.86 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1j12 h LEU 267 CO 0.07 -0.23 0.00 0.16 -0.34 0.00 0.00 178.44 178.10 1j12 h ILE 268 N -1.19 0.62 -0.30 4.05 3.07 -1.32 -0.57 117.51 121.88 1j12 h ILE 268 Ca -0.08 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.22 1j12 h ILE 268 Cb 0.57 1.00 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 1j12 h ILE 268 CO 0.12 0.00 -0.24 1.23 -1.05 0.00 0.00 178.15 178.22 1j12 h GLY 269 N 0.00 0.75 0.94 0.16 0.00 -1.40 -0.56 103.07 102.96 1j12 h GLY 269 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1j12 h GLY 269 CO -0.00 0.67 -0.19 -2.09 0.00 0.00 0.00 176.54 174.92 1j12 h GLU 270 N 0.44 -0.52 -0.52 4.80 4.81 -0.43 -0.79 114.58 122.37 1j12 h GLU 270 Ca 0.06 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1j12 h GLU 270 Cb 0.80 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1j12 h GLU 270 CO 0.06 -0.31 0.22 -0.07 -0.73 0.00 0.00 179.01 178.19 1j12 h LEU 271 N -0.61 0.28 -0.36 1.64 3.38 -1.28 0.56 115.31 118.92 1j12 h LEU 271 Ca -0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1j12 h LEU 271 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1j12 h LEU 271 CO 0.09 0.19 0.14 0.00 0.09 0.00 0.00 178.44 178.95 1j12 h ALA 272 N 1.31 0.47 -0.09 1.53 0.00 -1.01 -1.81 119.26 119.66 1j12 h ALA 272 Ca 0.24 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1j12 h ALA 272 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j12 h ALA 272 CO -0.21 0.08 -0.34 0.45 0.00 0.00 0.00 179.25 179.24 1j12 h HIS 273 N 0.44 0.20 -0.30 0.00 3.86 -0.70 -0.90 115.15 117.76 1j12 h HIS 273 Ca 0.12 -0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 1j12 h HIS 273 Cb 0.21 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1j12 h HIS 273 CO 0.00 0.50 -0.39 -0.91 0.86 0.00 0.00 177.93 177.99 1j12 h ASN 274 N 0.16 0.74 0.52 2.45 2.35 -0.65 -2.97 115.58 118.19 1j12 h ASN 274 Ca 0.02 -0.33 -0.29 0.00 -0.55 0.00 0.00 56.30 55.15 1j12 h ASN 274 Cb 0.68 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1j12 h ASN 274 CO 0.05 1.05 -1.54 0.00 -1.65 0.00 0.00 177.43 175.34 1j12 h ALA 275 N 0.99 0.44 0.00 -0.83 0.00 -1.11 -3.42 119.26 115.34 1j12 h ALA 275 Ca 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1j12 h ALA 275 Cb 0.92 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j12 h ALA 275 CO 0.08 1.30 -1.63 1.19 0.00 0.00 0.00 179.25 180.19 1j12 n PHE 276 N -3.32 0.00 0.39 0.00 3.01 -0.36 -4.68 117.46 112.49 1j12 n PHE 276 Ca -0.15 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.12 1j12 n PHE 276 Cb 1.03 -0.33 -0.09 0.00 -0.01 0.00 0.00 39.48 40.08 1j12 n PHE 276 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1j12 h ASP 277 N 0.00 -0.97 -0.17 4.37 3.32 -1.70 0.93 116.42 122.20 1j12 h ASP 277 Ca 0.00 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1j12 h ASP 277 Cb 0.69 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1j12 h ASP 277 CO 0.00 -0.63 -0.06 0.71 -1.72 0.00 0.00 179.24 177.54 1j12 h THR 278 N -1.02 1.21 0.06 0.35 1.35 -1.86 -1.11 112.91 111.89 1j12 h THR 278 Ca -0.09 -0.88 -0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1j12 h THR 278 Cb 0.81 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1j12 h THR 278 CO 0.12 0.29 -0.03 0.74 -0.25 0.00 0.00 175.52 176.39 1j12 h THR 279 N 0.46 0.00 0.05 6.82 2.02 -1.82 -3.42 112.91 117.02 1j12 h THR 279 Ca 0.09 -0.73 -0.32 0.00 0.77 0.00 0.00 66.41 66.22 1j12 h THR 279 Cb 0.40 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1j12 h THR 279 CO 0.02 0.00 -1.82 0.49 0.37 0.00 0.00 175.52 174.57 1j12 n PHE 280 N -4.27 1.08 -3.64 3.16 3.01 0.30 -4.99 117.46 112.11 1j12 n PHE 280 Ca -0.01 0.32 -0.27 0.00 1.01 0.00 0.00 57.45 58.50 1j12 n PHE 280 Cb 0.03 -1.18 0.02 0.00 -0.01 0.00 0.00 39.48 38.35 1j12 n PHE 280 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1j12 n GLN 281 N -3.20 -5.13 -4.06 -1.08 6.02 -0.42 -4.98 117.38 104.54 1j12 n GLN 281 Ca -0.23 0.63 -0.23 0.00 -0.01 0.00 0.00 57.00 57.17 1j12 n GLN 281 Cb 1.05 -5.49 -0.06 0.00 1.02 0.00 0.00 30.24 26.76 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 -3.20 3.04 0.47 5.09 -7.23 -1.26 -5.09 120.40 112.21 1j12 s VAL 282 Ca 0.55 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.85 1j12 s VAL 282 Cb -0.27 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 33.59 1j12 s VAL 282 CO 0.68 -0.17 1.11 -2.84 -0.31 0.00 0.00 175.10 173.57 1j12 s PRO 283 N -3.87 3.78 -0.10 4.82 0.02 -1.26 -4.86 135.00 133.53 1j12 s PRO 283 Ca 0.38 1.60 0.03 0.00 0.02 0.00 0.00 61.00 63.03 1j12 s PRO 283 Cb -0.03 -2.30 0.01 0.00 0.02 0.00 0.00 34.50 32.20 1j12 s PRO 283 CO 0.23 -0.49 -0.20 0.42 -0.33 0.00 0.00 177.00 176.63 1j12 s ILE 284 N -1.70 1.80 0.27 2.83 1.01 -1.26 -1.25 121.20 122.90 1j12 s ILE 284 Ca 0.65 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1j12 s ILE 284 Cb -0.24 -1.58 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1j12 s ILE 284 CO 0.29 0.50 0.07 -0.83 0.00 0.00 0.00 174.94 174.97 1j12 s GLY 285 N 0.59 1.82 0.08 6.18 0.00 0.02 -1.55 107.32 114.45 1j12 s GLY 285 Ca -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 44.72 42.65 1j12 s GLY 285 CO 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 173.10 171.48 1j12 s ALA 286 N -3.58 0.67 -0.04 3.20 0.00 -0.60 -1.01 121.76 120.40 1j12 s ALA 286 Ca 0.36 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1j12 s ALA 286 Cb 0.08 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1j12 s ALA 286 CO 0.14 -0.41 -0.07 0.15 0.00 0.00 0.00 175.76 175.56 1j12 s LYS 287 N -3.97 2.66 -0.11 0.00 1.02 -1.26 -1.83 119.74 116.25 1j12 s LYS 287 Ca 0.14 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1j12 s LYS 287 Cb 0.08 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1j12 s LYS 287 CO -0.05 0.64 -0.04 0.42 -0.92 0.00 0.00 175.35 175.39 1j12 s ILE 288 N -0.89 3.90 0.25 2.17 1.01 -0.23 -0.66 121.20 126.74 1j12 s ILE 288 Ca 0.14 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 1j12 s ILE 288 Cb -0.11 -2.65 -0.09 0.00 0.01 0.00 0.00 42.46 39.62 1j12 s ILE 288 CO 0.04 0.56 0.84 0.00 0.00 0.00 0.00 174.94 176.37 1j12 s ALA 289 N -0.34 3.34 -0.89 9.38 0.00 -1.26 -4.12 121.76 127.87 1j12 s ALA 289 Ca 0.06 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 1j12 s ALA 289 Cb -0.12 -3.02 0.14 0.00 0.00 0.00 0.00 23.12 20.11 1j12 s ALA 289 CO 0.02 0.25 1.05 0.20 0.00 0.00 0.00 175.76 177.29 1j12 s GLY 290 N -1.48 1.99 -1.19 0.00 0.00 -1.26 -4.93 107.32 100.45 1j12 s GLY 290 Ca 0.44 -2.77 -0.11 0.00 0.00 0.00 0.00 44.72 42.28 1j12 s GLY 290 CO 0.24 1.90 1.47 -0.62 0.00 0.00 0.00 173.10 176.09 1j12 n VAL 291 N 5.32 4.45 0.37 1.40 0.31 -1.26 -4.83 118.33 124.09 1j12 n VAL 291 Ca 0.20 -4.92 0.14 0.00 -0.01 0.00 0.00 64.34 59.75 1j12 n VAL 291 Cb 0.48 -2.43 0.44 0.00 -0.91 0.00 0.00 33.84 31.43 1j12 n VAL 291 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1j12 h HIS 292 N 6.56 0.00 -4.01 3.52 2.07 -1.92 -3.41 115.15 117.95 1j12 h HIS 292 Ca 0.29 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.34 1j12 h HIS 292 Cb 0.79 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.78 1j12 h HIS 292 CO 1.05 0.00 0.28 1.67 -3.07 0.00 0.00 177.93 177.86 1j12 s TRP 293 N -3.34 3.44 -2.16 6.12 -2.14 -1.26 -2.10 118.94 117.49 1j12 s TRP 293 Ca 0.05 1.34 0.00 0.00 2.66 0.00 0.00 56.10 60.16 1j12 s TRP 293 Cb 0.09 -2.68 0.00 0.00 -3.10 0.00 0.00 33.47 27.78 1j12 s TRP 293 CO 0.56 -0.24 0.00 1.04 -2.66 0.00 0.00 176.95 175.64 1j12 n GLN 294 N -1.35 -1.46 0.10 3.25 1.13 0.71 -4.21 117.38 115.54 1j12 n GLN 294 Ca 0.05 1.20 -0.13 0.00 -1.94 0.00 0.00 57.00 56.18 1j12 n GLN 294 Cb 0.54 -5.60 -0.08 0.00 0.11 0.00 0.00 30.24 25.21 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 -0.17 -0.52 1.08 3.20 -1.50 -0.43 116.97 118.63 1j12 h TYR 295 Ca -0.43 -0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.15 1j12 h TYR 295 Cb 1.34 0.06 -0.17 0.00 1.54 0.00 0.00 36.73 39.50 1j12 h TYR 295 CO 0.58 -0.05 0.06 0.27 -1.64 0.00 0.00 178.16 177.38 1j12 n ASN 296 N -5.14 3.05 -4.72 -2.11 6.94 -1.24 -2.48 115.26 109.57 1j12 n ASN 296 Ca -0.08 -3.76 -0.42 0.00 -0.02 0.00 0.00 54.58 50.29 1j12 n ASN 296 Cb 0.13 -0.68 -0.03 0.00 -2.36 0.00 0.00 39.78 36.84 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 -2.34 6.73 0.18 0.53 3.84 -1.23 -4.92 114.94 117.73 1j12 s ASN 297 Ca 0.48 2.48 -0.11 0.00 0.21 0.00 0.00 52.86 55.92 1j12 s ASN 297 Cb 0.43 -2.60 0.10 0.00 -0.55 0.00 0.00 41.25 38.63 1j12 s ASN 297 CO 0.02 -0.71 1.78 1.55 -2.79 0.00 0.00 177.10 176.95 1j12 h PRO 298 N 6.42 0.93 0.09 0.43 0.13 -1.94 -2.88 132.00 135.17 1j12 h PRO 298 Ca -0.43 -0.13 -0.17 0.00 -0.87 0.00 0.00 66.00 64.40 1j12 h PRO 298 Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1j12 h PRO 298 CO 0.86 0.73 -0.81 1.79 -0.23 0.00 0.00 178.00 180.34 1j12 h THR 299 N 0.89 1.40 -3.14 1.56 1.35 -1.97 -3.41 112.91 109.59 1j12 h THR 299 Ca 0.22 -2.42 -0.64 0.00 -0.55 0.00 0.00 66.41 63.02 1j12 h THR 299 Cb 0.11 3.03 -0.40 0.00 -1.73 0.00 0.00 68.15 69.16 1j12 h THR 299 CO -0.03 0.65 -0.44 0.27 -0.25 0.00 0.00 175.52 175.72 1j12 s ILE 300 N -2.38 3.29 0.25 6.82 -4.36 -1.25 -4.40 121.20 119.16 1j12 s ILE 300 Ca -0.18 -4.20 -0.30 0.00 -0.26 0.00 0.00 60.65 55.71 1j12 s ILE 300 Cb 0.01 -3.12 -0.11 0.00 1.25 0.00 0.00 42.46 40.50 1j12 s ILE 300 CO 0.76 -1.03 1.55 -2.16 0.24 0.00 0.00 174.94 174.30 1j12 s PRO 301 N -1.46 4.19 -1.52 0.37 0.04 -1.09 -2.46 135.00 133.08 1j12 s PRO 301 Ca 0.26 2.45 -0.12 0.00 0.04 0.00 0.00 61.00 63.63 1j12 s PRO 301 Cb -0.05 -3.08 0.08 0.00 0.04 0.00 0.00 34.50 31.49 1j12 s PRO 301 CO -0.16 -0.57 0.89 0.72 0.04 0.00 0.00 177.00 177.92 1j12 n HIS 302 N 2.72 -2.14 0.32 0.56 8.25 -0.19 -4.83 115.22 119.90 1j12 n HIS 302 Ca 0.09 0.87 0.08 0.00 -0.26 0.00 0.00 57.72 58.51 1j12 n HIS 302 Cb 0.38 -3.88 0.35 0.00 1.12 0.00 0.00 29.99 27.97 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 -1.66 -0.97 0.07 -1.41 0.00 -1.03 -2.39 105.19 97.81 1j12 n GLY 303 Ca -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.63 1.66 -0.04 4.61 0.00 -1.26 -1.80 120.51 122.04 1j12 n ALA 304 Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 1j12 n ALA 304 Cb 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 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 0.27 -0.33 0.00 5.08 -1.75 -3.20 114.58 114.65 1j12 h GLU 305 Ca -0.38 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1j12 h GLU 305 Cb 1.85 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 1j12 h GLU 305 CO 0.02 0.77 0.15 0.87 -1.00 0.00 0.00 179.01 179.81 1j12 h LYS 306 N -0.20 0.31 0.00 2.33 1.57 -1.56 -0.53 116.57 118.49 1j12 h LYS 306 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1j12 h LYS 306 Cb 0.76 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1j12 h LYS 306 CO 0.04 0.20 -0.13 -1.35 -0.57 0.00 0.00 179.45 177.64 1j12 h PRO 307 N 0.32 0.00 0.00 3.15 0.11 -1.81 -0.51 132.00 133.26 1j12 h PRO 307 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1j12 h PRO 307 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1j12 h PRO 307 CO -0.11 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.81 1j12 h ALA 308 N 1.87 1.00 0.00 -0.75 0.00 -1.42 -3.41 119.26 116.55 1j12 h ALA 308 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j12 h ALA 308 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j12 h ALA 308 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1j12 n GLY 309 N 0.31 0.88 3.42 0.00 0.00 -0.20 -0.78 105.19 108.82 1j12 n GLY 309 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 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 3.62 -0.16 1.61 2.02 -0.26 -4.48 117.35 117.71 1j12 s TYR 310 Ca 0.00 -2.08 0.18 0.00 -0.37 0.00 0.00 57.07 54.80 1j12 s TYR 310 Cb 0.00 -4.14 -0.25 0.00 -0.40 0.00 0.00 41.96 37.17 1j12 s TYR 310 CO 0.00 -1.27 0.14 -1.71 -1.57 0.00 0.00 175.55 171.14 1j12 n ASN 311 N 4.99 0.30 -3.40 2.29 2.85 -1.26 -3.73 115.26 117.29 1j12 n ASN 311 Ca 0.28 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.57 1j12 n ASN 311 Cb 0.44 1.16 -0.09 0.00 1.24 0.00 0.00 39.78 42.53 1j12 n ASN 311 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1j12 s ASP 312 N -5.15 1.69 0.42 1.20 -1.08 -1.26 -5.03 116.67 107.47 1j12 s ASP 312 Ca -0.09 -1.21 0.08 0.00 -0.52 0.00 0.00 52.55 50.81 1j12 s ASP 312 Cb 0.07 0.41 0.90 0.00 -1.46 0.00 0.00 42.92 42.84 1j12 s ASP 312 CO 0.80 -0.34 2.06 1.88 0.52 0.00 0.00 175.17 180.09 1j12 h TYR 313 N 7.73 0.47 0.68 -5.34 -1.99 -1.97 -0.72 116.97 115.83 1j12 h TYR 313 Ca -0.05 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1j12 h TYR 313 Cb 1.06 -0.16 0.01 0.00 2.00 0.00 0.00 36.73 39.63 1j12 h TYR 313 CO 0.31 0.29 -0.33 1.03 -0.00 0.00 0.00 178.16 179.47 1j12 h SER 314 N 0.51 -0.77 -0.80 3.88 0.87 -1.99 0.37 113.55 115.61 1j12 h SER 314 Ca 0.14 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.84 1j12 h SER 314 Cb -0.03 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 1j12 h SER 314 CO -0.03 -0.41 0.52 -0.74 -0.53 0.00 0.00 176.83 175.64 1j12 h HIS 315 N -1.17 0.63 -0.22 2.24 -0.00 -1.96 -1.43 115.15 113.24 1j12 h HIS 315 Ca -0.09 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 1j12 h HIS 315 Cb 0.73 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1j12 h HIS 315 CO 0.00 0.25 -0.04 1.25 -0.00 0.00 0.00 177.93 179.39 1j12 h LEU 316 N 0.55 0.42 -1.97 0.26 5.85 -0.91 -2.97 115.31 116.54 1j12 h LEU 316 Ca 0.39 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1j12 h LEU 316 Cb 0.74 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1j12 h LEU 316 CO -0.15 0.68 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.49 1j12 h LEU 317 N 0.16 0.00 -0.88 2.25 3.38 0.11 -2.59 115.31 117.73 1j12 h LEU 317 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1j12 h LEU 317 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1j12 h LEU 317 CO 0.02 0.07 0.37 0.44 0.09 0.00 0.00 178.44 179.43 1j12 h ASP 318 N 0.00 1.08 -0.37 -0.43 3.32 -1.19 -2.15 116.42 116.68 1j12 h ASP 318 Ca -0.00 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1j12 h ASP 318 Cb 0.34 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1j12 h ASP 318 CO 0.01 0.92 0.05 0.00 -1.72 0.00 0.00 179.24 178.50 1j12 h ALA 319 N 1.24 1.26 -0.42 3.45 0.00 -1.51 -0.95 119.26 122.32 1j12 h ALA 319 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1j12 h ALA 319 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1j12 h ALA 319 CO -0.03 0.51 -0.06 0.74 0.00 0.00 0.00 179.25 180.40 1j12 h PHE 320 N 0.67 0.78 -0.28 0.00 -1.00 -1.46 -0.62 116.94 115.02 1j12 h PHE 320 Ca 0.14 -0.12 -0.17 0.00 2.81 0.00 0.00 57.97 60.63 1j12 h PHE 320 Cb 0.34 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1j12 h PHE 320 CO 0.02 0.77 -0.50 -0.22 -1.61 0.00 0.00 178.31 176.76 1j12 h LYS 321 N 0.67 0.84 -0.22 1.51 3.64 -0.79 -0.15 116.57 122.06 1j12 h LYS 321 Ca 0.12 -0.53 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 1j12 h LYS 321 Cb 0.51 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1j12 h LYS 321 CO 0.03 1.16 -0.25 0.77 -2.27 0.00 0.00 179.45 178.88 1j12 h SER 322 N 0.61 0.41 0.12 4.20 0.02 -0.93 -2.59 113.55 115.39 1j12 h SER 322 Ca 0.02 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1j12 h SER 322 Cb 1.11 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1j12 h SER 322 CO 0.11 0.67 -0.06 0.00 -1.14 0.00 0.00 176.83 176.41 1j12 n ALA 323 N -2.48 2.71 -3.51 3.77 0.00 -0.26 -4.94 120.51 115.79 1j12 n ALA 323 Ca -0.01 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 1j12 n ALA 323 Cb 0.39 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.50 -4.75 -5.13 0.00 5.02 -0.98 -4.73 118.16 107.09 1j12 n LYS 324 Ca 0.18 0.74 -0.30 0.00 -2.02 0.00 0.00 58.31 56.92 1j12 n LYS 324 Cb 0.28 -5.48 -0.16 0.00 -0.02 0.00 0.00 35.03 29.64 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 -6.29 2.02 0.45 -0.35 1.43 -0.10 -4.73 118.68 111.11 1j12 s LEU 325 Ca 0.13 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.59 1j12 s LEU 325 Cb -0.03 -1.23 -0.09 0.00 0.03 0.00 0.00 46.19 44.87 1j12 s LEU 325 CO 0.77 0.23 0.94 -1.81 0.23 0.00 0.00 176.35 176.71 1j12 s ASP 326 N -0.19 6.79 -0.07 2.29 1.01 -0.60 -4.50 116.67 121.40 1j12 s ASP 326 Ca -0.01 1.59 0.02 0.00 0.71 0.00 0.00 52.55 54.86 1j12 s ASP 326 Cb -0.12 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1j12 s ASP 326 CO 0.02 -0.43 -0.11 0.54 0.21 0.00 0.00 175.17 175.40 1j12 s VAL 327 N -2.34 3.33 -0.09 -1.27 0.11 -0.77 -1.55 120.40 117.81 1j12 s VAL 327 Ca 0.60 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1j12 s VAL 327 Cb -0.09 -2.35 -0.01 0.00 -1.53 0.00 0.00 36.38 32.39 1j12 s VAL 327 CO 0.21 0.58 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.49 1j12 s THR 328 N -0.54 2.66 0.12 5.04 2.01 -0.76 -0.75 115.64 123.41 1j12 s THR 328 Ca 0.08 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1j12 s THR 328 Cb -0.12 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1j12 s THR 328 CO 0.02 0.55 -0.20 0.12 -0.69 0.00 0.00 174.62 174.42 1j12 s PHE 329 N 0.01 1.77 0.00 4.92 5.36 -0.03 -1.06 117.98 128.94 1j12 s PHE 329 Ca -0.06 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 1j12 s PHE 329 Cb -0.15 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 41.59 1j12 s PHE 329 CO 0.05 0.23 0.00 0.25 -1.46 0.00 0.00 175.22 174.29 1j12 n THR 330 N 0.89 0.00 -2.43 0.12 -2.24 -1.26 -1.46 114.28 107.90 1j12 n THR 330 Ca -0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 1j12 n THR 330 Cb 0.54 -0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.23 0.00 -0.38 0.00 3.38 -1.88 -3.01 115.31 113.20 1j12 h LEU 332 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1j12 h LEU 332 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1j12 h LEU 332 CO 0.47 0.39 -0.09 -1.84 0.09 0.00 0.00 178.44 177.46 1j12 n GLU 333 N -3.95 0.95 -3.03 1.13 0.00 -1.26 -3.85 120.64 110.63 1j12 n GLU 333 Ca -0.02 -0.38 -0.31 0.00 0.00 0.00 0.00 57.16 56.46 1j12 n GLU 333 Cb 0.44 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 30.34 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 -2.31 3.84 0.39 3.44 -1.94 -1.14 -4.77 119.30 116.81 1j12 s MET 334 Ca 0.33 0.47 0.08 0.00 -1.71 0.00 0.00 55.69 54.86 1j12 s MET 334 Cb 0.20 -2.45 -0.05 0.00 2.01 0.00 0.00 34.83 34.55 1j12 s MET 334 CO 0.44 0.07 0.19 0.95 -0.01 0.00 0.00 175.02 176.66 1j12 s THR 335 N -2.18 2.55 0.40 2.05 -4.23 -1.26 -4.18 115.64 108.79 1j12 s THR 335 Ca 0.51 -1.65 -0.23 0.00 -1.18 0.00 0.00 61.69 59.14 1j12 s THR 335 Cb -0.10 -2.99 -0.11 0.00 1.34 0.00 0.00 72.50 70.64 1j12 s THR 335 CO 0.26 -0.05 0.95 -1.81 -0.54 0.00 0.00 174.62 173.43 1j12 s ASP 336 N -3.92 7.06 0.16 3.99 1.01 -1.26 -4.28 116.67 119.43 1j12 s ASP 336 Ca 0.41 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.41 1j12 s ASP 336 Cb 0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1j12 s ASP 336 CO 0.23 -0.27 0.00 0.29 0.21 0.00 0.00 175.17 175.63 1j12 n LYS 337 N -0.27 0.00 -1.90 8.23 4.01 -0.00 -5.01 118.16 123.22 1j12 n LYS 337 Ca 0.05 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.66 1j12 n LYS 337 Cb 0.53 -0.22 -0.05 0.00 -0.51 0.00 0.00 35.03 34.77 1j12 n LYS 337 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j12 n GLY 338 N 2.57 0.94 3.60 0.72 0.00 0.15 -4.87 105.19 108.29 1j12 n GLY 338 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.42 4.43 0.50 1.61 1.04 -1.26 -4.74 113.70 112.85 1j12 s SER 339 Ca 0.00 -0.47 -0.24 0.00 0.48 0.00 0.00 55.95 55.72 1j12 s SER 339 Cb 0.00 -0.83 -0.07 0.00 0.10 0.00 0.00 66.02 65.22 1j12 s SER 339 CO 0.00 0.12 1.41 -0.47 0.98 0.00 0.00 173.24 175.28 1j12 s TYR 340 N -1.55 2.34 -0.78 5.02 5.04 -1.26 -0.86 117.35 125.29 1j12 s TYR 340 Ca 0.24 1.30 0.23 0.00 -2.44 0.00 0.00 57.07 56.41 1j12 s TYR 340 Cb -0.10 -3.89 0.20 0.00 0.35 0.00 0.00 41.96 38.52 1j12 s TYR 340 CO 0.16 -3.01 1.17 -0.35 -1.34 0.00 0.00 175.55 172.18 1j12 n PRO 341 N -0.62 0.16 -0.07 4.97 -0.04 -1.26 -4.84 135.00 133.31 1j12 n PRO 341 Ca 0.08 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1j12 n PRO 341 Cb 0.43 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.00 0.46 -5.60 0.54 3.07 -1.85 -3.46 114.58 107.74 1j12 h GLU 342 Ca 0.00 -0.23 -0.33 0.00 -0.50 0.00 0.00 59.36 58.31 1j12 h GLU 342 Cb 0.63 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 28.71 1j12 h GLU 342 CO 0.00 0.79 -0.76 0.66 -1.40 0.00 0.00 179.01 178.30 1j12 n TYR 343 N -4.49 -2.16 -2.90 4.33 4.02 -0.04 -0.21 117.16 115.71 1j12 n TYR 343 Ca -0.05 0.93 -0.42 0.00 -0.01 0.00 0.00 57.90 58.35 1j12 n TYR 343 Cb 0.37 -5.05 -0.04 0.00 -0.02 0.00 0.00 39.34 34.60 1j12 n TYR 343 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1j12 s SER 344 N -4.33 6.79 -0.54 7.72 0.01 -1.26 -2.01 113.70 120.08 1j12 s SER 344 Ca 0.00 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.27 1j12 s SER 344 Cb -0.00 -2.43 0.33 0.00 0.21 0.00 0.00 66.02 64.13 1j12 s SER 344 CO 0.72 -0.55 0.87 0.23 0.41 0.00 0.00 173.24 174.92 1j12 n MET 345 N 6.09 2.62 0.35 12.44 2.81 -0.89 0.31 117.12 140.84 1j12 n MET 345 Ca 0.05 -4.49 -0.17 0.00 -1.81 0.00 0.00 57.70 51.28 1j12 n MET 345 Cb 0.48 -2.10 -0.09 0.00 -0.71 0.00 0.00 33.22 30.80 1j12 n MET 345 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1j12 h PRO 346 N 3.15 -0.82 -0.98 0.03 0.11 -1.78 -2.31 132.00 129.40 1j12 h PRO 346 Ca 0.13 0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.36 1j12 h PRO 346 Cb 0.63 0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.86 1j12 h PRO 346 CO 0.74 -0.54 0.63 -0.22 -0.21 0.00 0.00 178.00 178.41 1j12 h LYS 347 N -0.87 1.12 -0.56 1.05 3.64 -1.75 -1.11 116.57 118.08 1j12 h LYS 347 Ca -0.09 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1j12 h LYS 347 Cb 0.66 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1j12 h LYS 347 CO 0.14 0.74 0.19 1.15 -2.27 0.00 0.00 179.45 179.41 1j12 h THR 348 N 1.15 1.23 0.34 1.00 2.02 -1.93 -2.06 112.91 114.67 1j12 h THR 348 Ca 0.42 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1j12 h THR 348 Cb 0.15 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1j12 h THR 348 CO -0.17 0.29 -0.29 0.25 0.37 0.00 0.00 175.52 175.97 1j12 h LEU 349 N 0.78 -0.77 -0.69 2.58 6.46 -0.76 -1.26 115.31 121.66 1j12 h LEU 349 Ca 0.18 0.06 0.12 0.00 -0.12 0.00 0.00 57.88 58.13 1j12 h LEU 349 Cb 0.25 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 40.35 1j12 h LEU 349 CO -0.01 -0.43 0.27 0.58 -0.62 0.00 0.00 178.44 178.23 1j12 h VAL 350 N -0.65 0.71 -0.82 1.05 2.07 -1.12 -0.60 116.25 116.89 1j12 h VAL 350 Ca -0.02 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1j12 h VAL 350 Cb 0.57 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1j12 h VAL 350 CO -0.03 0.08 0.35 1.56 0.02 0.00 0.00 177.57 179.56 1j12 h GLN 351 N 0.43 1.20 -0.12 1.57 4.20 -1.11 0.28 115.11 121.57 1j12 h GLN 351 Ca 0.37 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1j12 h GLN 351 Cb 0.51 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1j12 h GLN 351 CO -0.36 0.95 0.02 -0.91 -0.67 0.00 0.00 178.83 177.86 1j12 h ASN 352 N 1.18 0.19 -0.25 1.46 -0.26 0.04 -1.16 115.58 116.78 1j12 h ASN 352 Ca 0.28 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1j12 h ASN 352 Cb 0.18 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1j12 h ASN 352 CO -0.03 0.39 0.14 0.40 -1.06 0.00 0.00 177.43 177.27 1j12 h ILE 353 N -0.02 1.11 -0.71 2.81 1.08 -1.04 -2.46 117.51 118.29 1j12 h ILE 353 Ca 0.04 -0.29 0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1j12 h ILE 353 Cb 0.28 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 1j12 h ILE 353 CO 0.00 0.11 0.37 0.00 -0.69 0.00 0.00 178.15 177.94 1j12 h ALA 354 N 1.02 0.98 -0.37 1.87 0.00 -0.84 -1.28 119.26 120.65 1j12 h ALA 354 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1j12 h ALA 354 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j12 h ALA 354 CO -0.01 -0.01 0.20 1.15 0.00 0.00 0.00 179.25 180.57 1j12 h THR 355 N 0.64 1.15 -0.34 0.00 2.02 -0.98 -2.02 112.91 113.39 1j12 h THR 355 Ca 0.34 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1j12 h THR 355 Cb 0.32 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1j12 h THR 355 CO -0.25 0.15 0.14 -0.07 0.37 0.00 0.00 175.52 175.87 1j12 h LEU 356 N 0.47 0.46 -0.49 2.58 3.38 -0.96 -1.93 115.31 118.81 1j12 h LEU 356 Ca 0.13 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1j12 h LEU 356 Cb 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1j12 h LEU 356 CO -0.02 0.49 0.25 0.00 0.09 0.00 0.00 178.44 179.25 1j12 h ALA 357 N 0.99 0.62 -0.69 1.53 0.00 -1.15 -1.80 119.26 118.76 1j12 h ALA 357 Ca 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1j12 h ALA 357 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1j12 h ALA 357 CO -0.01 -0.09 0.25 -0.91 0.00 0.00 0.00 179.25 178.49 1j12 h ASN 358 N 0.50 0.98 0.35 0.00 2.35 -1.23 0.10 115.58 118.63 1j12 h ASN 358 Ca 0.21 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1j12 h ASN 358 Cb 0.11 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1j12 h ASN 358 CO -0.14 0.91 -0.32 -0.33 -1.65 0.00 0.00 177.43 175.90 1j12 h GLU 359 N 1.00 0.00 0.00 0.81 5.08 -1.03 -2.51 114.58 117.93 1j12 h GLU 359 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1j12 h GLU 359 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1j12 h GLU 359 CO -0.01 0.32 -0.59 1.63 -1.00 0.00 0.00 179.01 179.35 1j12 n LYS 360 N -4.08 0.09 -2.37 2.33 5.02 -0.71 -4.96 118.16 113.47 1j12 n LYS 360 Ca -0.02 0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 1j12 n LYS 360 Cb 0.37 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.41 3.73 0.72 0.00 -0.04 -5.03 105.19 106.43 1j12 n GLY 361 Ca 0.05 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.60 5.34 0.09 -0.61 1.01 0.15 -5.02 121.20 119.56 1j12 s ILE 362 Ca 0.05 0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 1j12 s ILE 362 Cb -0.02 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 1j12 s ILE 362 CO 0.07 0.41 1.61 -0.69 0.00 0.00 0.00 174.94 176.34 1j12 s VAL 363 N 0.38 2.96 -0.14 2.92 1.01 -1.26 -4.49 120.40 121.78 1j12 s VAL 363 Ca 0.14 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 1j12 s VAL 363 Cb -0.12 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1j12 s VAL 363 CO 0.02 0.01 -0.06 -0.22 0.00 0.00 0.00 175.10 174.85 1j12 s LEU 364 N 2.19 3.10 0.19 3.92 2.96 -1.26 -1.85 118.68 127.93 1j12 s LEU 364 Ca 0.72 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1j12 s LEU 364 Cb -0.40 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1j12 s LEU 364 CO 0.32 0.18 -0.13 0.20 -1.32 0.00 0.00 176.35 175.59 1j12 s ASN 365 N 0.29 2.41 0.19 3.68 -0.87 0.07 -0.23 114.94 120.47 1j12 s ASN 365 Ca -0.05 -1.02 -0.06 0.00 -1.57 0.00 0.00 52.86 50.16 1j12 s ASN 365 Cb -0.14 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.25 40.95 1j12 s ASN 365 CO 0.04 -0.21 0.24 -0.83 -2.57 0.00 0.00 177.10 173.77 1j12 s GLY 366 N -3.29 0.92 0.06 0.66 0.00 -0.80 -0.85 107.32 104.03 1j12 s GLY 366 Ca 0.21 -1.28 -0.20 0.00 0.00 0.00 0.00 44.72 43.46 1j12 s GLY 366 CO 0.06 -1.08 0.47 -1.83 0.00 0.00 0.00 173.10 170.72 1j12 s GLU 367 N -4.06 1.01 0.51 2.90 -1.05 -0.53 -0.94 118.70 116.53 1j12 s GLU 367 Ca 0.27 -0.36 -0.19 0.00 -0.15 0.00 0.00 54.97 54.55 1j12 s GLU 367 Cb 0.04 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 34.11 1j12 s GLU 367 CO 0.07 -0.37 1.03 0.54 0.95 0.00 0.00 175.26 177.48 1j12 s ASN 368 N -2.14 6.31 -0.06 0.83 4.22 -1.23 -2.21 114.94 120.66 1j12 s ASN 368 Ca -0.04 1.84 -0.22 0.00 -2.14 0.00 0.00 52.86 52.31 1j12 s ASN 368 Cb -0.00 -2.55 -0.17 0.00 1.28 0.00 0.00 41.25 39.81 1j12 s ASN 368 CO -0.04 -0.80 0.88 0.00 -2.04 0.00 0.00 177.10 175.10 1j12 h ALA 369 N 1.29 -0.17 -2.05 3.54 0.00 -1.91 -3.43 119.26 116.53 1j12 h ALA 369 Ca -0.49 -0.25 -0.47 0.00 0.00 0.00 0.00 54.91 53.71 1j12 h ALA 369 Cb 1.21 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 1j12 h ALA 369 CO 0.59 -0.26 -0.62 -0.48 0.00 0.00 0.00 179.25 178.48 1j12 s LEU 370 N -8.93 2.19 0.27 0.00 0.05 -1.26 -5.00 118.68 106.00 1j12 s LEU 370 Ca -0.13 -1.36 -0.30 0.00 0.05 0.00 0.00 54.13 52.40 1j12 s LEU 370 Cb 0.00 -0.39 -0.14 0.00 -2.05 0.00 0.00 46.19 43.62 1j12 s LEU 370 CO 0.50 -0.59 1.19 -1.20 -0.55 0.00 0.00 176.35 175.70 1j12 n SER 371 N -0.66 1.96 -4.63 1.48 7.64 -1.26 -4.95 113.62 113.20 1j12 n SER 371 Ca -0.03 1.17 -0.37 0.00 1.01 0.00 0.00 58.87 60.66 1j12 n SER 371 Cb 0.66 -1.35 -0.10 0.00 -1.01 0.00 0.00 64.21 62.41 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 -0.68 5.24 -0.65 0.44 1.01 -1.26 -4.95 121.20 120.35 1j12 s ILE 372 Ca 0.63 0.14 0.07 0.00 0.00 0.00 0.00 60.65 61.48 1j12 s ILE 372 Cb -0.69 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1j12 s ILE 372 CO 0.57 0.34 0.54 0.61 0.00 0.00 0.00 174.94 176.99 1j12 n GLY 373 N 4.41 -0.27 2.97 6.18 0.00 -1.26 -4.99 105.19 112.22 1j12 n GLY 373 Ca -0.15 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 1j12 n GLY 373 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j12 s ASN 374 N -1.01 0.73 0.61 1.61 3.84 -1.26 -5.02 114.94 114.44 1j12 s ASN 374 Ca 0.06 -0.11 0.32 0.00 0.21 0.00 0.00 52.86 53.34 1j12 s ASN 374 Cb 0.05 -0.09 1.81 0.00 -0.55 0.00 0.00 41.25 42.47 1j12 s ASN 374 CO 0.16 0.07 2.14 1.05 -2.79 0.00 0.00 177.10 177.73 1j12 h GLU 375 N 6.03 0.00 -0.48 0.43 4.11 -1.97 -0.68 114.58 122.02 1j12 h GLU 375 Ca -0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.11 1j12 h GLU 375 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1j12 h GLU 375 CO 0.50 0.00 0.15 0.93 0.07 0.00 0.00 179.01 180.66 1j12 h GLU 376 N 0.00 0.71 -0.18 1.06 4.39 -2.00 -1.66 114.58 116.90 1j12 h GLU 376 Ca 0.05 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1j12 h GLU 376 Cb 0.39 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1j12 h GLU 376 CO -0.00 0.62 -0.35 0.93 -1.16 0.00 0.00 179.01 179.05 1j12 h GLU 377 N 0.70 0.38 -0.78 2.33 5.08 -1.46 -2.47 114.58 118.36 1j12 h GLU 377 Ca 0.16 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1j12 h GLU 377 Cb 0.21 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1j12 h GLU 377 CO -0.01 0.68 0.31 1.88 -1.00 0.00 0.00 179.01 180.87 1j12 h TYR 378 N 0.33 1.19 -0.51 4.33 0.05 -1.36 -0.78 116.97 120.21 1j12 h TYR 378 Ca 0.04 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1j12 h TYR 378 Cb 0.77 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1j12 h TYR 378 CO 0.02 0.90 0.21 0.87 -1.05 0.00 0.00 178.16 179.11 1j12 h LYS 379 N 1.13 0.73 -0.12 4.88 1.57 -0.90 -0.08 116.57 123.78 1j12 h LYS 379 Ca 0.26 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1j12 h LYS 379 Cb 0.22 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1j12 h LYS 379 CO -0.02 0.60 -0.48 0.00 -0.57 0.00 0.00 179.45 178.98 1j12 h ARG 380 N 0.73 0.54 -0.55 3.15 3.08 -1.05 -2.39 114.38 117.89 1j12 h ARG 380 Ca 0.18 -0.42 0.06 0.00 0.07 0.00 0.00 59.98 59.87 1j12 h ARG 380 Cb 0.14 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1j12 h ARG 380 CO -0.02 1.04 0.25 0.28 -1.07 0.00 0.00 179.97 180.45 1j12 h VAL 381 N 0.15 0.89 -0.64 2.04 2.07 -0.78 -2.23 116.25 117.74 1j12 h VAL 381 Ca -0.03 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1j12 h VAL 381 Cb 1.11 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1j12 h VAL 381 CO 0.10 0.09 0.13 0.00 0.02 0.00 0.00 177.57 177.90 1j12 h ALA 382 N 1.33 0.85 -0.07 1.67 0.00 -1.03 -1.03 119.26 120.98 1j12 h ALA 382 Ca 0.26 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1j12 h ALA 382 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1j12 h ALA 382 CO -0.21 0.59 -0.09 1.49 0.00 0.00 0.00 179.25 181.03 1j12 h GLU 383 N 0.96 -0.12 -0.47 0.00 4.81 -0.91 0.21 114.58 119.07 1j12 h GLU 383 Ca 0.20 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1j12 h GLU 383 Cb 0.40 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1j12 h GLU 383 CO 0.01 -0.08 -0.09 0.52 -0.73 0.00 0.00 179.01 178.64 1j12 h MET 384 N -0.12 0.89 -0.09 1.92 2.86 -1.33 -2.91 114.93 116.15 1j12 h MET 384 Ca 0.06 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1j12 h MET 384 Cb 0.21 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1j12 h MET 384 CO -0.15 0.97 0.01 0.00 1.06 0.00 0.00 176.91 178.81 1j12 h ALA 385 N 0.89 0.11 -0.12 6.32 0.00 -0.85 -2.22 119.26 123.38 1j12 h ALA 385 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j12 h ALA 385 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j12 h ALA 385 CO 0.04 -0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.25 1j12 n PHE 386 N -4.86 0.16 0.00 0.00 0.99 0.71 -2.41 117.46 112.05 1j12 n PHE 386 Ca -0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 1j12 n PHE 386 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 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 -0.04 2.14 -0.69 4.37 3.02 -1.10 -4.21 115.26 118.75 1j12 n ASN 387 Ca 0.14 -0.18 0.05 0.00 -0.03 0.00 0.00 54.58 54.56 1j12 n ASN 387 Cb 0.23 0.80 0.20 0.00 -0.61 0.00 0.00 39.78 40.40 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 -1.01 0.58 -3.63 3.10 4.02 -0.84 -1.42 117.16 117.97 1j12 n TYR 388 Ca 0.00 -1.19 -0.24 0.00 -0.01 0.00 0.00 57.90 56.47 1j12 n TYR 388 Cb 0.00 -0.31 0.07 0.00 -0.02 0.00 0.00 39.34 39.08 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 -1.02 -5.02 -4.70 7.72 5.15 -1.25 -4.92 115.26 111.22 1j12 n ASN 389 Ca 0.23 -0.61 -0.42 0.00 -0.60 0.00 0.00 54.58 53.17 1j12 n ASN 389 Cb 0.83 -4.80 -0.03 0.00 -0.53 0.00 0.00 39.78 35.25 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 -3.34 3.54 -0.97 1.20 0.40 -1.01 -4.64 117.98 113.15 1j12 s PHE 390 Ca 0.46 1.57 0.28 0.00 -0.60 0.00 0.00 56.93 58.64 1j12 s PHE 390 Cb -0.21 -3.21 1.09 0.00 0.51 0.00 0.00 43.02 41.20 1j12 s PHE 390 CO 0.75 -0.36 1.83 0.00 0.70 0.00 0.00 175.22 178.15 1j12 n ALA 391 N 4.34 2.51 -3.52 5.36 0.00 0.68 -4.56 120.51 125.32 1j12 n ALA 391 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1j12 n ALA 391 Cb 0.49 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1j12 n ALA 391 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j12 s GLY 392 N -3.06 -0.44 -0.06 0.00 0.00 -1.25 -2.30 107.32 100.21 1j12 s GLY 392 Ca 0.13 1.10 -0.02 0.00 0.00 0.00 0.00 44.72 45.93 1j12 s GLY 392 CO 0.56 0.37 0.11 -0.12 0.00 0.00 0.00 173.10 174.02 1j12 s PHE 393 N -3.01 -0.08 -0.23 1.90 5.36 -0.98 -1.91 117.98 119.03 1j12 s PHE 393 Ca 0.06 0.43 -0.10 0.00 -0.96 0.00 0.00 56.93 56.36 1j12 s PHE 393 Cb -0.01 -0.30 -0.05 0.00 -0.34 0.00 0.00 43.02 42.32 1j12 s PHE 393 CO -0.08 -0.21 0.15 0.99 -1.46 0.00 0.00 175.22 174.60 1j12 s THR 394 N 1.96 5.29 -0.30 0.12 2.01 -0.12 -1.52 115.64 123.08 1j12 s THR 394 Ca 0.01 0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 1j12 s THR 394 Cb -0.12 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1j12 s THR 394 CO -0.05 0.36 0.66 -0.22 -0.69 0.00 0.00 174.62 174.68 1j12 s LEU 395 N 0.99 4.12 -0.45 4.42 2.96 0.14 -3.55 118.68 127.32 1j12 s LEU 395 Ca 0.07 0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 54.32 1j12 s LEU 395 Cb -0.13 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 43.72 1j12 s LEU 395 CO 0.04 -0.49 0.47 -0.22 -1.32 0.00 0.00 176.35 174.83 1j12 s LEU 396 N 2.65 4.99 0.24 -0.68 0.20 -1.26 -1.06 118.68 123.76 1j12 s LEU 396 Ca 0.27 -0.81 -0.22 0.00 0.69 0.00 0.00 54.13 54.05 1j12 s LEU 396 Cb -0.15 -2.37 0.03 0.00 -0.43 0.00 0.00 46.19 43.27 1j12 s LEU 396 CO 0.11 -0.65 0.78 0.00 -0.29 0.00 0.00 176.35 176.29 1j12 s ARG 397 N 2.17 1.62 0.00 1.98 1.70 -1.26 -4.30 118.95 120.86 1j12 s ARG 397 Ca 0.12 -0.89 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 1j12 s ARG 397 Cb -0.18 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1j12 s ARG 397 CO 0.12 -0.74 0.00 0.98 -1.08 0.00 0.00 175.30 174.58 1j12 n TYR 398 N -0.46 0.00 -0.15 5.89 9.36 0.12 -1.07 117.16 130.85 1j12 n TYR 398 Ca -0.05 0.00 0.28 0.00 3.32 0.00 0.00 57.90 61.45 1j12 n TYR 398 Cb 0.60 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 40.03 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 -0.87 2.98 -0.00 -1.96 -1.31 115.11 113.96 1j12 h GLN 399 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1j12 h GLN 399 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.44 1j12 h GLN 399 CO 0.00 0.00 0.49 -0.44 -0.00 0.00 0.00 178.83 178.88 1j12 h ASP 400 N 0.00 1.06 0.00 0.06 3.32 -1.49 -2.92 116.42 116.45 1j12 h ASP 400 Ca 0.40 -0.08 -0.37 0.00 0.02 0.00 0.00 57.03 57.00 1j12 h ASP 400 Cb 1.64 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.85 1j12 h ASP 400 CO -0.00 0.84 -2.40 1.33 -1.72 0.00 0.00 179.24 177.28 1j12 n VAL 401 N -4.35 1.41 -0.21 -1.35 0.24 -0.97 -4.22 118.33 108.88 1j12 n VAL 401 Ca 0.09 -0.62 0.07 0.00 -2.04 0.00 0.00 64.34 61.85 1j12 n VAL 401 Cb 0.08 -1.16 0.35 0.00 -1.47 0.00 0.00 33.84 31.64 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 0.75 -0.80 7.34 -1.53 -1.34 -1.05 114.93 118.29 1j12 h MET 402 Ca -0.55 -0.05 -0.43 0.00 -3.44 0.00 0.00 59.70 55.23 1j12 h MET 402 Cb 1.95 -0.17 -0.25 0.00 -0.55 0.00 0.00 31.60 32.58 1j12 h MET 402 CO -0.06 0.50 0.42 0.66 0.14 0.00 0.00 176.91 178.57 1j12 n TYR 403 N -4.49 2.49 -3.22 1.39 0.53 -1.10 -4.73 117.16 108.03 1j12 n TYR 403 Ca 0.12 -1.87 -0.01 0.00 -1.02 0.00 0.00 57.90 55.12 1j12 n TYR 403 Cb 0.27 -0.84 -0.02 0.00 -1.03 0.00 0.00 39.34 37.72 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 -1.75 -1.08 0.35 7.72 3.84 -0.40 -5.02 114.94 118.60 1j12 s ASN 404 Ca 0.54 -0.63 0.26 0.00 0.21 0.00 0.00 52.86 53.24 1j12 s ASN 404 Cb 0.46 1.74 1.19 0.00 -0.55 0.00 0.00 41.25 44.09 1j12 s ASN 404 CO 0.07 -0.22 1.79 0.78 -2.79 0.00 0.00 177.10 176.72 1j12 h ASN 405 N 7.32 0.00 0.25 -4.21 2.35 -1.85 -1.69 115.58 117.76 1j12 h ASN 405 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1j12 h ASN 405 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1j12 h ASN 405 CO 0.14 0.00 -0.12 0.28 -1.65 0.00 0.00 177.43 176.07 1j12 h SER 406 N 0.00 -0.29 -0.50 5.81 0.02 -1.95 -2.40 113.55 114.24 1j12 h SER 406 Ca 0.00 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1j12 h SER 406 Cb 0.27 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1j12 h SER 406 CO 0.00 0.20 0.27 -0.07 -1.14 0.00 0.00 176.83 176.08 1j12 h LEU 407 N -1.05 0.65 -0.89 5.07 3.38 -1.89 -1.40 115.31 119.18 1j12 h LEU 407 Ca -0.03 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1j12 h LEU 407 Cb 0.36 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1j12 h LEU 407 CO 0.06 0.54 0.58 -0.03 0.09 0.00 0.00 178.44 179.68 1j12 h MET 408 N 0.73 1.10 -0.47 1.13 4.05 -1.38 0.16 114.93 120.26 1j12 h MET 408 Ca 0.19 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 1j12 h MET 408 Cb 0.06 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 1j12 h MET 408 CO -0.03 0.73 -0.15 0.78 0.23 0.00 0.00 176.91 178.47 1j12 h GLY 409 N 1.14 0.97 1.13 1.39 0.00 -0.73 -1.01 103.07 105.96 1j12 h GLY 409 Ca 0.35 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 1j12 h GLY 409 CO -0.11 0.72 -0.24 0.50 0.00 0.00 0.00 176.54 177.42 1j12 h LYS 410 N 0.80 0.98 0.06 4.80 1.79 -0.96 -2.61 116.57 121.44 1j12 h LYS 410 Ca 0.12 -0.43 -0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1j12 h LYS 410 Cb 0.68 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1j12 h LYS 410 CO 0.05 1.10 -0.03 0.35 -1.08 0.00 0.00 179.45 179.84 1j12 h PHE 411 N 0.84 -0.08 -0.30 -1.35 3.57 -0.77 -0.72 116.94 118.13 1j12 h PHE 411 Ca 0.10 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1j12 h PHE 411 Cb 0.82 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 1j12 h PHE 411 CO 0.05 0.15 -0.21 -0.22 -2.23 0.00 0.00 178.31 175.86 1j12 h LYS 412 N -0.30 -0.17 -0.18 1.11 3.64 -1.17 0.49 116.57 119.99 1j12 h LYS 412 Ca -0.01 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1j12 h LYS 412 Cb 0.27 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1j12 h LYS 412 CO 0.01 -0.11 0.06 0.22 -2.27 0.00 0.00 179.45 177.36 1j12 h ASP 413 N -0.18 0.06 0.29 4.20 3.58 -1.40 -2.38 116.42 120.59 1j12 h ASP 413 Ca 0.16 0.02 -0.33 0.00 0.42 0.00 0.00 57.03 57.29 1j12 h ASP 413 Cb 0.42 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1j12 h ASP 413 CO -0.41 0.06 -1.66 -0.07 -2.88 0.00 0.00 179.24 174.28 1j12 h LEU 414 N 0.14 0.54 0.00 2.28 3.38 -0.79 -3.44 115.31 117.42 1j12 h LEU 414 Ca 0.08 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1j12 h LEU 414 Cb 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1j12 h LEU 414 CO -0.08 1.65 -0.93 0.18 0.09 0.00 0.00 178.44 179.35 1j12 n LEU 415 N -3.54 0.00 -1.82 1.67 4.77 0.16 -4.76 117.00 113.47 1j12 n LEU 415 Ca -0.21 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.70 1j12 n LEU 415 Cb 1.07 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.07 1j12 n LEU 415 CO 0.51 0.00 1.27 0.61 -1.33 0.00 0.00 177.39 178.46 1j12 n GLY 416 N 2.70 2.64 3.96 -0.72 0.00 -0.27 -4.77 105.19 108.72 1j12 n GLY 416 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 0.71 5.12 -0.26 1.61 -7.23 -1.26 -4.11 120.40 114.98 1j12 s VAL 417 Ca 0.35 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1j12 s VAL 417 Cb 0.17 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 33.30 1j12 s VAL 417 CO 0.00 -0.40 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.49 1j12 s THR 418 N -2.11 3.21 0.34 5.32 2.01 -1.26 -4.84 115.64 118.30 1j12 s THR 418 Ca 0.37 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1j12 s THR 418 Cb -0.09 -2.64 -0.11 0.00 0.01 0.00 0.00 72.50 69.66 1j12 s THR 418 CO 0.32 0.15 1.54 -2.65 -0.69 0.00 0.00 174.62 173.29 1j12 n PRO 419 N 4.73 2.71 -3.71 4.92 -0.02 -1.26 -0.98 135.00 141.39 1j12 n PRO 419 Ca -0.16 0.96 -0.15 0.00 -2.02 0.00 0.00 63.50 62.13 1j12 n PRO 419 Cb 0.47 -2.72 -0.15 0.00 -0.02 0.00 0.00 33.50 31.09 1j12 n PRO 419 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1j12 s VAL 420 N -0.62 -0.15 0.17 -1.45 0.11 0.59 -4.82 120.40 114.22 1j12 s VAL 420 Ca 0.58 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.58 1j12 s VAL 420 Cb -0.48 -0.28 -0.08 0.00 -1.53 0.00 0.00 36.38 34.01 1j12 s VAL 420 CO 0.57 0.10 1.27 -0.32 -3.33 0.00 0.00 175.10 173.39 1j12 s MET 421 N 1.69 4.42 0.08 1.54 1.75 -1.26 -0.58 119.30 126.93 1j12 s MET 421 Ca -0.04 1.96 -0.01 0.00 -1.25 0.00 0.00 55.69 56.35 1j12 s MET 421 Cb -0.12 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 1j12 s MET 421 CO -0.06 -0.22 0.00 -0.65 -0.65 0.00 0.00 175.02 173.44 1j12 s GLN 422 N 0.15 0.72 -0.20 4.11 -1.52 0.01 -4.34 119.66 118.58 1j12 s GLN 422 Ca 0.57 -1.28 0.01 0.00 -1.95 0.00 0.00 55.36 52.70 1j12 s GLN 422 Cb -0.34 0.22 0.02 0.00 -0.22 0.00 0.00 33.01 32.70 1j12 s GLN 422 CO 0.36 -0.16 -0.16 0.99 -0.25 0.00 0.00 175.29 176.06 1j12 s THR 423 N -3.96 2.27 -0.21 -0.19 2.01 -0.94 -0.66 115.64 113.95 1j12 s THR 423 Ca 0.12 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.02 1j12 s THR 423 Cb 0.08 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1j12 s THR 423 CO -0.06 0.41 0.10 -0.63 -0.69 0.00 0.00 174.62 173.75 1j12 s ILE 424 N 1.28 4.97 -0.07 1.82 1.01 0.20 -0.75 121.20 129.66 1j12 s ILE 424 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1j12 s ILE 424 Cb -0.15 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 1j12 s ILE 424 CO -0.10 0.40 -0.22 -0.69 0.00 0.00 0.00 174.94 174.32 1j12 s VAL 425 N 0.81 1.88 -0.12 2.92 1.01 0.72 -1.03 120.40 126.60 1j12 s VAL 425 Ca 0.05 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1j12 s VAL 425 Cb -0.13 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1j12 s VAL 425 CO 0.02 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.79 1j12 s VAL 426 N 0.06 1.63 0.31 2.92 1.01 0.68 -1.34 120.40 125.68 1j12 s VAL 426 Ca -0.09 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1j12 s VAL 426 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1j12 s VAL 426 CO 0.05 0.47 0.24 -0.54 0.00 0.00 0.00 175.10 175.31 1j12 s LYS 427 N 0.94 2.70 -1.41 2.72 1.02 0.13 -2.18 119.74 123.66 1j12 s LYS 427 Ca -0.07 -1.28 -0.05 0.00 0.02 0.00 0.00 55.97 54.59 1j12 s LYS 427 Cb -0.15 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1j12 s LYS 427 CO -0.01 0.18 0.75 0.09 -0.92 0.00 0.00 175.35 175.43 1j12 n ASN 428 N -1.28 -2.25 -4.61 2.83 3.02 -1.26 -0.54 115.26 111.17 1j12 n ASN 428 Ca -0.04 -0.84 -0.40 0.00 -0.03 0.00 0.00 54.58 53.27 1j12 n ASN 428 Cb 0.59 -3.80 -0.08 0.00 -0.61 0.00 0.00 39.78 35.89 1j12 n ASN 428 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j12 s VAL 429 N -3.59 5.11 -0.55 2.41 1.01 -1.26 -4.14 120.40 119.39 1j12 s VAL 429 Ca 0.24 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 1j12 s VAL 429 Cb -0.12 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1j12 s VAL 429 CO 0.83 0.11 2.22 -0.81 0.00 0.00 0.00 175.10 177.46 1j12 n PRO 430 N 5.45 1.74 -1.44 2.72 -0.04 -1.26 -4.92 135.00 137.24 1j12 n PRO 430 Ca -0.06 -1.11 -0.29 0.00 -0.04 0.00 0.00 63.50 62.00 1j12 n PRO 430 Cb 0.50 -2.18 0.13 0.00 -0.04 0.00 0.00 33.50 31.91 1j12 n PRO 430 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1j12 s THR 431 N 2.71 2.47 0.21 0.52 2.01 -1.26 -5.09 115.64 117.21 1j12 s THR 431 Ca 0.40 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.43 1j12 s THR 431 Cb 0.14 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1j12 s THR 431 CO -0.02 -0.20 0.42 -0.89 -0.69 0.00 0.00 174.62 173.25 1j12 s THR 432 N -3.14 0.03 -0.05 -0.82 2.01 -1.26 -5.04 115.64 107.36 1j12 s THR 432 Ca 0.63 -1.26 -0.36 0.00 0.31 0.00 0.00 61.69 61.01 1j12 s THR 432 Cb -0.16 -1.95 -0.14 0.00 0.01 0.00 0.00 72.50 70.26 1j12 s THR 432 CO 0.55 -0.12 1.70 2.30 -0.69 0.00 0.00 174.62 178.35 1j12 n ILE 433 N -0.32 0.29 0.00 1.82 -0.00 -1.26 -0.25 119.36 119.65 1j12 n ILE 433 Ca -0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 1j12 n ILE 433 Cb 0.62 -1.47 0.00 0.00 -0.00 0.00 0.00 39.64 38.79 1j12 n ILE 433 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1j12 n GLY 434 N 3.84 3.26 3.70 3.28 0.00 -1.26 -4.80 105.19 113.20 1j12 n GLY 434 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.20 6.92 -0.05 1.61 1.11 0.66 -3.13 116.67 123.59 1j12 s ASP 435 Ca 0.00 2.10 0.03 0.00 0.18 0.00 0.00 52.55 54.86 1j12 s ASP 435 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 1j12 s ASP 435 CO 0.00 -0.63 -0.13 0.42 1.18 0.00 0.00 175.17 176.01 1j12 s THR 436 N 1.76 3.17 -0.09 -1.27 -4.23 -0.27 -4.68 115.64 110.03 1j12 s THR 436 Ca 0.62 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1j12 s THR 436 Cb -0.31 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1j12 s THR 436 CO 0.27 0.59 0.08 -0.69 -0.54 0.00 0.00 174.62 174.33 1j12 s VAL 437 N -0.72 4.92 0.26 2.29 1.01 -1.26 -0.57 120.40 126.32 1j12 s VAL 437 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1j12 s VAL 437 Cb -0.11 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1j12 s VAL 437 CO 0.01 0.58 0.16 -0.31 0.00 0.00 0.00 175.10 175.54 1j12 s TYR 438 N -0.99 1.42 0.05 5.22 1.51 -0.59 -1.06 117.35 122.91 1j12 s TYR 438 Ca 0.15 -1.41 0.02 0.00 -1.01 0.00 0.00 57.07 54.82 1j12 s TYR 438 Cb -0.12 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1j12 s TYR 438 CO 0.04 -0.63 -0.07 0.96 -1.11 0.00 0.00 175.55 174.74 1j12 s ILE 439 N -3.85 0.54 0.07 2.71 -4.36 -0.31 -1.75 121.20 114.25 1j12 s ILE 439 Ca 0.38 -1.19 -0.21 0.00 -0.26 0.00 0.00 60.65 59.37 1j12 s ILE 439 Cb 0.06 -0.74 0.05 0.00 1.25 0.00 0.00 42.46 43.07 1j12 s ILE 439 CO 0.17 -0.46 0.50 0.28 0.24 0.00 0.00 174.94 175.66 1j12 s THR 440 N -1.71 0.04 0.19 8.37 -1.32 -0.96 -2.04 115.64 118.21 1j12 s THR 440 Ca -0.07 -0.30 -0.07 0.00 -1.21 0.00 0.00 61.69 60.04 1j12 s THR 440 Cb -0.08 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 69.93 1j12 s THR 440 CO -0.00 -0.16 0.37 0.61 -2.21 0.00 0.00 174.62 173.22 1j12 n GLY 441 N 0.21 1.60 0.07 6.08 0.00 -0.95 -1.75 105.19 110.45 1j12 n GLY 441 Ca -0.18 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 0.96 -0.09 -4.19 1.61 -1.07 -1.67 0.31 115.58 111.44 1j12 h ASN 442 Ca -0.16 0.02 -0.52 0.00 0.07 0.00 0.00 56.30 55.71 1j12 h ASN 442 Cb 0.60 0.05 0.14 0.00 -2.07 0.00 0.00 38.32 37.04 1j12 h ASN 442 CO 0.20 -0.04 0.37 -0.13 0.07 0.00 0.00 177.43 177.91 1j12 s ARG 443 N -6.19 2.28 0.42 4.14 1.81 -1.26 -4.21 118.95 115.94 1j12 s ARG 443 Ca -0.13 1.62 0.12 0.00 -1.72 0.00 0.00 55.73 55.61 1j12 s ARG 443 Cb 0.07 -1.87 0.92 0.00 -0.45 0.00 0.00 34.95 33.63 1j12 s ARG 443 CO 0.67 -1.70 1.98 0.00 -0.68 0.00 0.00 175.30 175.57 1j12 h ALA 444 N -0.31 1.65 -0.08 2.13 0.00 -1.92 -0.88 119.26 119.85 1j12 h ALA 444 Ca -0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1j12 h ALA 444 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1j12 h ALA 444 CO 0.51 0.26 -0.06 0.93 0.00 0.00 0.00 179.25 180.89 1j12 h GLU 445 N 0.16 0.11 -0.34 0.00 3.07 -1.88 -1.45 114.58 114.25 1j12 h GLU 445 Ca 0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1j12 h GLU 445 Cb 0.26 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1j12 h GLU 445 CO 0.01 0.18 0.00 1.28 -1.40 0.00 0.00 179.01 179.09 1j12 n LEU 446 N -4.40 2.56 0.00 1.33 4.77 -0.44 -4.47 117.00 116.36 1j12 n LEU 446 Ca -0.02 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1j12 n LEU 446 Cb 0.18 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1j12 n LEU 446 CO 0.36 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1j12 n GLY 447 N 1.30 0.73 3.88 -0.72 0.00 -0.55 -2.25 105.19 107.59 1j12 n GLY 447 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.35 0.00 1.61 7.64 -0.58 -1.54 113.62 119.40 1j12 n SER 448 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1j12 n SER 448 Cb 0.00 -3.21 0.00 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 -4.36 0.00 -2.16 1.43 7.02 0.10 -4.92 117.44 114.55 1j12 n TRP 449 Ca -0.27 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 55.82 1j12 n TRP 449 Cb 0.67 -1.14 -0.01 0.00 -2.42 0.00 0.00 31.31 28.41 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 -2.24 6.45 0.00 -0.99 2.15 -0.59 -4.91 116.67 116.54 1j12 s ASP 450 Ca 0.00 2.52 0.00 0.00 0.43 0.00 0.00 52.55 55.50 1j12 s ASP 450 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1j12 s ASP 450 CO 0.00 -0.74 0.22 0.35 -0.17 0.00 0.00 175.17 174.82 1j12 n THR 451 N 0.18 0.00 -0.06 1.71 -2.24 -1.26 -3.92 114.28 108.68 1j12 n THR 451 Ca 0.04 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 1j12 n THR 451 Cb 0.45 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 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 -3.44 116.57 113.52 1j12 h LYS 452 Ca 0.00 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1j12 h LYS 452 Cb 0.05 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1j12 h LYS 452 CO 0.00 1.03 -0.05 0.00 -2.81 0.00 0.00 179.45 177.62 1j12 n GLN 453 N -4.50 2.79 0.00 1.90 10.64 -1.26 -4.88 117.38 122.07 1j12 n GLN 453 Ca -0.15 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.13 1j12 n GLN 453 Cb 0.57 -0.28 0.10 0.00 -0.86 0.00 0.00 30.24 29.77 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 -0.14 0.00 -1.96 2.61 4.01 -1.26 -3.78 117.16 116.63 1j12 n TYR 454 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 1j12 n TYR 454 Cb 0.00 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.33 3.30 -0.33 -0.72 0.04 -1.25 0.19 135.00 133.90 1j12 s PRO 455 Ca 0.23 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 1j12 s PRO 455 Cb 0.19 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1j12 s PRO 455 CO 0.48 -1.00 0.49 0.42 0.04 0.00 0.00 177.00 177.43 1j12 s ILE 456 N -1.42 5.05 0.39 0.56 1.01 -0.86 -3.53 121.20 122.40 1j12 s ILE 456 Ca 0.70 0.44 -0.25 0.00 0.00 0.00 0.00 60.65 61.55 1j12 s ILE 456 Cb -0.35 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 1j12 s ILE 456 CO 0.42 -0.12 1.08 -1.58 0.00 0.00 0.00 174.94 174.74 1j12 s GLN 457 N 2.33 4.16 0.28 2.79 0.74 -0.64 -1.17 119.66 128.16 1j12 s GLN 457 Ca 0.18 1.62 0.09 0.00 0.05 0.00 0.00 55.36 57.30 1j12 s GLN 457 Cb -0.16 -2.63 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 1j12 s GLN 457 CO 0.12 -0.16 0.04 -0.51 -0.55 0.00 0.00 175.29 174.23 1j12 s LEU 458 N -2.51 3.25 0.09 3.68 1.43 -0.23 -4.91 118.68 119.49 1j12 s LEU 458 Ca 0.57 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1j12 s LEU 458 Cb -0.25 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1j12 s LEU 458 CO 0.31 -0.07 -0.21 -0.31 0.23 0.00 0.00 176.35 176.30 1j12 s TYR 459 N -2.33 1.82 -0.18 0.29 1.51 -0.43 -4.52 117.35 113.50 1j12 s TYR 459 Ca 0.33 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.69 1j12 s TYR 459 Cb -0.06 -1.01 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1j12 s TYR 459 CO 0.21 0.19 1.06 -0.47 -1.11 0.00 0.00 175.55 175.43 1j12 s TYR 460 N -1.09 3.34 -0.69 2.71 5.04 -1.26 -1.10 117.35 124.29 1j12 s TYR 460 Ca 0.07 1.45 -0.18 0.00 -2.44 0.00 0.00 57.07 55.97 1j12 s TYR 460 Cb -0.10 -3.28 0.13 0.00 0.35 0.00 0.00 41.96 39.06 1j12 s TYR 460 CO 0.04 -0.56 0.79 0.34 -1.34 0.00 0.00 175.55 174.81 1j12 s ASP 461 N 1.26 6.35 0.19 4.32 3.68 0.20 -4.91 116.67 127.75 1j12 s ASP 461 Ca 0.47 -1.74 -0.13 0.00 2.13 0.00 0.00 52.55 53.28 1j12 s ASP 461 Cb -0.17 -2.30 0.19 0.00 -1.45 0.00 0.00 42.92 39.19 1j12 s ASP 461 CO 0.11 -1.02 1.69 0.77 0.13 0.00 0.00 175.17 176.85 1j12 h SER 462 N 8.90 -0.15 0.19 -0.34 4.64 -1.95 0.97 113.55 125.82 1j12 h SER 462 Ca -0.15 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1j12 h SER 462 Cb 1.07 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1j12 h SER 462 CO 1.05 -0.05 -0.27 -0.74 -0.87 0.00 0.00 176.83 175.95 1j12 h HIS 463 N 0.15 -0.76 0.00 4.77 -0.00 -1.96 -2.06 115.15 115.30 1j12 h HIS 463 Ca 0.25 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1j12 h HIS 463 Cb 0.37 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1j12 h HIS 463 CO -0.29 -0.34 0.00 0.43 -0.00 0.00 0.00 177.93 177.73 1j12 n SER 464 N -3.97 0.00 -3.54 3.26 7.64 -1.13 -4.92 113.62 110.95 1j12 n SER 464 Ca -0.06 -0.04 -0.24 0.00 1.01 0.00 0.00 58.87 59.54 1j12 n SER 464 Cb 0.23 -0.28 0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1j12 n SER 464 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1j12 n ASN 465 N -1.28 -5.84 -2.88 6.43 5.15 0.33 -5.00 115.26 112.17 1j12 n ASN 465 Ca 0.11 -0.84 -0.09 0.00 -0.60 0.00 0.00 54.58 53.16 1j12 n ASN 465 Cb 0.18 -3.75 0.03 0.00 -0.53 0.00 0.00 39.78 35.70 1j12 n ASN 465 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1j12 s ASP 466 N -3.34 0.02 -0.20 1.20 -4.77 -0.84 -4.83 116.67 103.91 1j12 s ASP 466 Ca 0.36 -1.17 -0.02 0.00 -3.30 0.00 0.00 52.55 48.43 1j12 s ASP 466 Cb -0.11 0.86 0.00 0.00 -1.09 0.00 0.00 42.92 42.58 1j12 s ASP 466 CO 0.83 -1.71 -0.12 0.26 0.70 0.00 0.00 175.17 175.14 1j12 s TRP 467 N -2.24 2.87 0.22 2.11 0.52 -0.93 0.58 118.94 122.08 1j12 s TRP 467 Ca 0.16 -1.22 -0.06 0.00 0.02 0.00 0.00 56.10 54.99 1j12 s TRP 467 Cb -0.05 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1j12 s TRP 467 CO 0.12 -0.64 0.28 -0.98 0.02 0.00 0.00 176.95 175.75 1j12 s ARG 468 N 1.33 1.36 -0.08 4.98 1.70 -0.26 -0.23 118.95 127.75 1j12 s ARG 468 Ca 0.04 -1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 53.54 1j12 s ARG 468 Cb -0.14 0.36 0.11 0.00 -0.57 0.00 0.00 34.95 34.71 1j12 s ARG 468 CO -0.07 -0.50 0.95 0.20 -1.08 0.00 0.00 175.30 174.80 1j12 s GLY 469 N -3.10 -0.38 -0.51 3.88 0.00 -0.19 -1.32 107.32 105.69 1j12 s GLY 469 Ca 0.32 1.43 -0.17 0.00 0.00 0.00 0.00 44.72 46.29 1j12 s GLY 469 CO 0.11 0.62 0.53 -1.31 0.00 0.00 0.00 173.10 173.04 1j12 s ASN 470 N -1.93 6.18 -0.04 1.64 -0.87 -1.26 -0.63 114.94 118.03 1j12 s ASN 470 Ca 0.02 -1.27 0.01 0.00 -1.57 0.00 0.00 52.86 50.05 1j12 s ASN 470 Cb -0.01 -2.24 -0.03 0.00 -0.02 0.00 0.00 41.25 38.95 1j12 s ASN 470 CO -0.04 -0.83 -0.04 -0.69 -2.57 0.00 0.00 177.10 172.93 1j12 s VAL 471 N 2.11 3.93 -0.20 1.60 1.01 0.17 -4.90 120.40 124.12 1j12 s VAL 471 Ca 0.09 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1j12 s VAL 471 Cb -0.23 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1j12 s VAL 471 CO 0.08 0.51 0.63 -0.69 0.00 0.00 0.00 175.10 175.63 1j12 s VAL 472 N -0.93 5.01 0.29 2.92 1.01 -1.26 -0.81 120.40 126.63 1j12 s VAL 472 Ca 0.15 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.40 1j12 s VAL 472 Cb -0.11 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1j12 s VAL 472 CO 0.05 0.10 -0.11 -0.76 0.00 0.00 0.00 175.10 174.38 1j12 s LEU 473 N 1.99 2.59 -0.36 3.92 1.02 0.25 -4.24 118.68 123.86 1j12 s LEU 473 Ca 0.28 -1.14 -0.29 0.00 0.02 0.00 0.00 54.13 53.00 1j12 s LEU 473 Cb -0.16 -0.85 0.01 0.00 0.02 0.00 0.00 46.19 45.22 1j12 s LEU 473 CO 0.10 -0.20 1.20 -2.16 0.02 0.00 0.00 176.35 175.31 1j12 s PRO 474 N -3.64 3.88 0.51 1.29 0.04 -1.26 -0.30 135.00 135.53 1j12 s PRO 474 Ca 0.30 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 1j12 s PRO 474 Cb 0.01 -3.85 -0.07 0.00 0.04 0.00 0.00 34.50 30.63 1j12 s PRO 474 CO 0.13 -1.16 1.25 0.00 0.04 0.00 0.00 177.00 177.26 1j12 n ALA 475 N 7.55 1.21 -2.57 8.56 0.00 -0.15 -2.98 120.51 132.13 1j12 n ALA 475 Ca 0.13 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 1j12 n ALA 475 Cb 0.47 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 17.64 1j12 n ALA 475 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j12 n GLU 476 N -0.61 -2.46 -4.39 0.00 1.02 0.72 -4.66 120.64 110.25 1j12 n GLU 476 Ca 0.10 0.57 -0.29 0.00 -0.02 0.00 0.00 57.16 57.51 1j12 n GLU 476 Cb 0.43 -5.19 -0.12 0.00 -0.02 0.00 0.00 31.44 26.54 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 -5.16 1.62 -0.07 3.49 1.81 -1.16 -4.70 118.95 114.78 1j12 s ARG 477 Ca 0.06 -1.24 -0.29 0.00 -1.72 0.00 0.00 55.73 52.53 1j12 s ARG 477 Cb -0.03 -2.01 -0.02 0.00 -0.45 0.00 0.00 34.95 32.44 1j12 s ARG 477 CO 0.07 0.47 0.96 -0.80 -0.68 0.00 0.00 175.30 175.32 1j12 s ASN 478 N -2.03 7.25 0.15 0.23 0.02 -1.26 -0.24 114.94 119.06 1j12 s ASN 478 Ca 0.16 1.52 0.06 0.00 -1.02 0.00 0.00 52.86 53.58 1j12 s ASN 478 Cb -0.10 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.58 1j12 s ASN 478 CO 0.08 -0.35 -0.14 0.27 0.02 0.00 0.00 177.10 176.98 1j12 s ILE 479 N 1.58 1.42 -0.02 0.60 -4.36 -0.92 -4.90 121.20 114.60 1j12 s ILE 479 Ca 0.48 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1j12 s ILE 479 Cb -0.19 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 41.82 1j12 s ILE 479 CO 0.21 -0.51 0.01 -1.61 0.24 0.00 0.00 174.94 173.28 1j12 s GLU 480 N -3.09 0.07 0.31 0.37 2.02 -1.26 -1.80 118.70 115.33 1j12 s GLU 480 Ca 0.14 0.09 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 1j12 s GLU 480 Cb -0.03 -0.24 0.01 0.00 0.10 0.00 0.00 34.13 33.97 1j12 s GLU 480 CO 0.04 -0.10 0.53 -0.59 0.02 0.00 0.00 175.26 175.16 1j12 s PHE 481 N 0.70 0.62 -0.17 1.61 -0.12 -0.41 -1.73 117.98 118.48 1j12 s PHE 481 Ca -0.06 -0.98 -0.28 0.00 -0.05 0.00 0.00 56.93 55.55 1j12 s PHE 481 Cb -0.09 0.19 0.08 0.00 -0.63 0.00 0.00 43.02 42.57 1j12 s PHE 481 CO -0.02 -1.16 0.78 0.21 -0.05 0.00 0.00 175.22 174.99 1j12 s LYS 482 N -3.30 0.84 0.50 1.99 2.20 -0.72 0.37 119.74 121.63 1j12 s LYS 482 Ca 0.25 0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1j12 s LYS 482 Cb -0.01 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1j12 s LYS 482 CO 0.14 -0.19 0.78 0.00 -0.36 0.00 0.00 175.35 175.72 1j12 s ALA 483 N -0.43 3.46 0.03 3.13 0.00 -1.26 -2.28 121.76 124.42 1j12 s ALA 483 Ca -0.04 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 1j12 s ALA 483 Cb -0.03 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.67 1j12 s ALA 483 CO 0.03 -0.46 0.51 -0.59 0.00 0.00 0.00 175.76 175.26 1j12 s PHE 484 N -2.74 -0.41 0.11 0.00 -0.12 -0.72 -1.11 117.98 112.99 1j12 s PHE 484 Ca 0.49 0.49 0.03 0.00 -0.05 0.00 0.00 56.93 57.89 1j12 s PHE 484 Cb -0.10 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1j12 s PHE 484 CO 0.43 -0.61 0.13 0.42 -0.05 0.00 0.00 175.22 175.53 1j12 s ILE 485 N -2.26 4.70 -0.07 -4.49 1.01 -0.41 -1.55 121.20 118.14 1j12 s ILE 485 Ca -0.06 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1j12 s ILE 485 Cb -0.01 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1j12 s ILE 485 CO -0.00 0.05 -0.11 -0.54 0.00 0.00 0.00 174.94 174.33 1j12 s LYS 486 N -2.67 1.61 0.99 2.79 1.02 0.26 -0.62 119.74 123.12 1j12 s LYS 486 Ca 0.31 -0.36 -0.12 0.00 0.02 0.00 0.00 55.97 55.82 1j12 s LYS 486 Cb -0.12 -1.40 0.18 0.00 -0.52 0.00 0.00 37.83 35.98 1j12 s LYS 486 CO 0.24 -0.04 1.08 -1.54 -0.92 0.00 0.00 175.35 174.17 1j12 s SER 487 N 0.87 2.60 0.23 2.83 1.04 -0.02 -1.11 113.70 120.14 1j12 s SER 487 Ca -0.11 1.44 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 1j12 s SER 487 Cb -0.15 -2.12 0.29 0.00 0.10 0.00 0.00 66.02 64.14 1j12 s SER 487 CO 0.01 -3.18 1.59 0.11 0.98 0.00 0.00 173.24 172.74 1j12 h LYS 488 N -1.92 -0.03 0.00 4.02 1.79 -1.85 0.61 116.57 119.17 1j12 h LYS 488 Ca -0.53 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.92 1j12 h LYS 488 Cb 1.31 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1j12 h LYS 488 CO 0.54 -0.02 -0.09 0.38 -1.08 0.00 0.00 179.45 179.18 1j12 h ASP 489 N -0.03 0.00 0.00 0.86 3.04 -1.92 -3.47 116.42 114.90 1j12 h ASP 489 Ca 0.35 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.14 1j12 h ASP 489 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 1j12 h ASP 489 CO -0.83 0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.07 1j12 n GLY 490 N -1.23 0.89 3.25 7.15 0.00 0.21 -5.14 105.19 110.32 1j12 n GLY 490 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.52 1.58 -0.06 2.61 -4.23 -1.25 -4.86 115.64 107.91 1j12 s THR 491 Ca 0.00 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 1j12 s THR 491 Cb 0.00 -1.42 -0.07 0.00 1.34 0.00 0.00 72.50 72.35 1j12 s THR 491 CO 0.00 0.01 2.04 -0.69 -0.54 0.00 0.00 174.62 175.44 1j12 s VAL 492 N -1.03 3.04 -0.14 2.29 1.01 -1.26 -0.84 120.40 123.46 1j12 s VAL 492 Ca 0.05 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 1j12 s VAL 492 Cb -0.09 -3.04 -0.25 0.00 0.00 0.00 0.00 36.38 33.00 1j12 s VAL 492 CO 0.03 -0.01 0.55 0.50 0.00 0.00 0.00 175.10 176.17 1j12 h LYS 493 N 12.09 0.11 -2.88 2.72 3.64 -1.21 -3.47 116.57 127.57 1j12 h LYS 493 Ca -0.46 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 58.76 1j12 h LYS 493 Cb 1.24 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 33.01 1j12 h LYS 493 CO 0.95 1.09 0.26 -1.54 -2.27 0.00 0.00 179.45 177.94 1j12 s SER 494 N -6.73 -0.47 0.15 4.20 1.04 -1.24 -4.99 113.70 105.66 1j12 s SER 494 Ca -0.22 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1j12 s SER 494 Cb 0.02 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1j12 s SER 494 CO 0.70 -1.00 -0.07 0.26 0.98 0.00 0.00 173.24 174.11 1j12 s TRP 495 N -3.68 2.73 0.19 5.02 0.52 -1.26 -1.29 118.94 121.17 1j12 s TRP 495 Ca 0.04 -0.17 -0.31 0.00 0.02 0.00 0.00 56.10 55.68 1j12 s TRP 495 Cb -0.02 -1.37 -0.10 0.00 -1.15 0.00 0.00 33.47 30.83 1j12 s TRP 495 CO -0.08 0.48 1.55 -1.14 0.02 0.00 0.00 176.95 177.78 1j12 s GLN 496 N -2.62 4.22 0.08 4.98 0.74 -0.27 -4.93 119.66 121.86 1j12 s GLN 496 Ca 0.24 2.37 -0.24 0.00 0.05 0.00 0.00 55.36 57.78 1j12 s GLN 496 Cb -0.10 -3.14 -0.09 0.00 1.10 0.00 0.00 33.01 30.78 1j12 s GLN 496 CO 0.16 -0.58 1.39 1.79 -0.55 0.00 0.00 175.29 177.50 1j12 h THR 497 N 3.90 0.00 -2.97 -0.34 1.35 -1.29 -3.42 112.91 110.14 1j12 h THR 497 Ca -0.43 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.81 1j12 h THR 497 Cb 1.21 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.57 1j12 h THR 497 CO 0.89 0.00 -0.30 -0.63 -0.25 0.00 0.00 175.52 175.23 1j12 s ILE 498 N -4.91 5.18 0.12 6.82 1.09 -1.26 -5.07 121.20 123.17 1j12 s ILE 498 Ca -0.11 0.47 -0.30 0.00 -1.10 0.00 0.00 60.65 59.62 1j12 s ILE 498 Cb 0.05 -3.61 -0.06 0.00 -1.06 0.00 0.00 42.46 37.78 1j12 s ILE 498 CO 0.43 0.44 1.04 -1.58 -0.10 0.00 0.00 174.94 175.17 1j12 s GLN 499 N -1.50 4.62 0.54 2.79 0.74 -1.26 -4.92 119.66 120.68 1j12 s GLN 499 Ca 0.26 1.58 -0.01 0.00 0.05 0.00 0.00 55.36 57.24 1j12 s GLN 499 Cb -0.14 -3.34 0.02 0.00 1.10 0.00 0.00 33.01 30.65 1j12 s GLN 499 CO 0.14 0.10 0.79 -0.65 -0.55 0.00 0.00 175.29 175.12 1j12 s GLN 500 N 0.04 2.71 0.18 1.67 -1.52 0.16 -4.93 119.66 117.97 1j12 s GLN 500 Ca 0.49 -0.53 -0.23 0.00 -1.95 0.00 0.00 55.36 53.14 1j12 s GLN 500 Cb -0.26 -2.44 0.06 0.00 -0.22 0.00 0.00 33.01 30.14 1j12 s GLN 500 CO 0.31 -0.64 0.71 -1.54 -0.25 0.00 0.00 175.29 173.88 1j12 s SER 501 N -4.36 -0.40 -0.34 5.90 1.04 -1.26 -1.29 113.70 113.00 1j12 s SER 501 Ca 0.54 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1j12 s SER 501 Cb -0.10 0.61 0.16 0.00 0.10 0.00 0.00 66.02 66.79 1j12 s SER 501 CO 0.40 -1.06 0.41 0.86 0.98 0.00 0.00 173.24 174.83 1j12 s TRP 502 N -3.70 -0.75 -0.41 5.02 -0.11 -0.74 -4.97 118.94 113.27 1j12 s TRP 502 Ca 0.06 -0.19 0.00 0.00 1.22 0.00 0.00 56.10 57.20 1j12 s TRP 502 Cb -0.03 -0.24 0.11 0.00 -1.50 0.00 0.00 33.47 31.82 1j12 s TRP 502 CO -0.04 -1.00 0.17 -0.80 -4.62 0.00 0.00 176.95 170.66 1j12 s ASN 503 N 2.01 4.98 0.24 5.86 0.01 -1.26 -2.18 114.94 124.61 1j12 s ASN 503 Ca 0.13 -2.25 0.02 0.00 -0.71 0.00 0.00 52.86 50.05 1j12 s ASN 503 Cb -0.13 -1.74 0.03 0.00 0.41 0.00 0.00 41.25 39.83 1j12 s ASN 503 CO -0.18 -0.44 0.24 -0.81 -1.51 0.00 0.00 177.10 174.41 1j12 n PRO 504 N 4.22 0.77 -2.52 -0.60 -0.04 -1.26 -5.05 135.00 130.52 1j12 n PRO 504 Ca 0.02 -0.86 -0.41 0.00 -0.04 0.00 0.00 63.50 62.21 1j12 n PRO 504 Cb 0.40 -0.10 -0.04 0.00 -0.04 0.00 0.00 33.50 33.72 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 -0.20 3.87 0.31 0.52 1.01 0.67 -4.85 120.40 121.73 1j12 s VAL 505 Ca 0.18 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 1j12 s VAL 505 Cb -0.01 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 1j12 s VAL 505 CO 0.11 0.29 1.45 -2.84 0.00 0.00 0.00 175.10 174.12 1j12 s PRO 506 N -0.43 4.21 0.51 2.72 0.02 -1.26 -0.20 135.00 140.57 1j12 s PRO 506 Ca 0.49 2.42 0.29 0.00 0.02 0.00 0.00 61.00 64.22 1j12 s PRO 506 Cb -0.29 -3.04 1.20 0.00 0.02 0.00 0.00 34.50 32.39 1j12 s PRO 506 CO 0.35 -0.44 1.93 1.25 -0.33 0.00 0.00 177.00 179.76 1j12 h LEU 507 N 4.02 0.00 -9.48 -5.54 7.12 -1.94 -3.41 115.31 106.08 1j12 h LEU 507 Ca -0.48 0.00 -0.65 0.00 0.13 0.00 0.00 57.88 56.88 1j12 h LEU 507 Cb 1.23 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.24 1j12 h LEU 507 CO 0.71 0.10 -0.64 -1.59 -0.13 0.00 0.00 178.44 176.89 1j12 s LYS 508 N -3.71 2.68 0.20 1.25 -2.85 -1.26 -5.01 119.74 111.04 1j12 s LYS 508 Ca 0.01 -0.75 -0.31 0.00 -1.00 0.00 0.00 55.97 53.92 1j12 s LYS 508 Cb 0.10 -2.61 -0.10 0.00 -2.06 0.00 0.00 37.83 33.16 1j12 s LYS 508 CO 0.58 0.57 1.48 0.99 0.10 0.00 0.00 175.35 179.06 1j12 s THR 509 N -1.28 2.74 0.00 3.79 2.01 -1.26 -4.97 115.64 116.67 1j12 s THR 509 Ca 0.25 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.82 1j12 s THR 509 Cb -0.12 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1j12 s THR 509 CO 0.17 0.07 0.00 0.41 -0.69 0.00 0.00 174.62 174.58 1j12 n THR 510 N 3.13 0.00 -3.97 -0.82 -1.04 -1.26 -5.07 114.28 105.24 1j12 n THR 510 Ca 0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.99 1j12 n THR 510 Cb 0.40 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.78 1j12 n THR 510 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1j12 s SER 511 N 1.50 0.27 -0.18 8.00 0.01 -1.26 -2.22 113.70 119.81 1j12 s SER 511 Ca 0.00 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 1j12 s SER 511 Cb 0.00 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1j12 s SER 511 CO 0.00 -0.07 -0.09 -2.28 0.41 0.00 0.00 173.24 171.20 1j12 s HIS 512 N -0.49 2.88 -0.01 2.43 2.46 0.07 -4.96 115.29 117.66 1j12 s HIS 512 Ca -0.04 -0.89 0.05 0.00 0.47 0.00 0.00 55.06 54.66 1j12 s HIS 512 Cb -0.04 -1.98 -0.01 0.00 -0.13 0.00 0.00 32.58 30.42 1j12 s HIS 512 CO -0.00 -0.43 -0.18 0.99 -2.47 0.00 0.00 174.74 172.65 1j12 s THR 513 N 0.99 1.39 0.35 0.89 2.01 -1.26 -0.20 115.64 119.82 1j12 s THR 513 Ca -0.01 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 1j12 s THR 513 Cb -0.15 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.22 1j12 s THR 513 CO -0.01 0.39 0.56 -0.94 -0.69 0.00 0.00 174.62 173.93 1j12 s SER 514 N -0.41 0.68 0.19 3.53 1.04 -0.45 -4.99 113.70 113.30 1j12 s SER 514 Ca 0.07 -1.39 0.10 0.00 0.48 0.00 0.00 55.95 55.21 1j12 s SER 514 Cb -0.07 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1j12 s SER 514 CO -0.01 -1.40 -0.21 -0.44 0.98 0.00 0.00 173.24 172.16 1j12 s SER 515 N -3.19 3.15 0.00 7.02 0.01 -1.26 0.23 113.70 119.65 1j12 s SER 515 Ca 0.27 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1j12 s SER 515 Cb -0.02 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1j12 s SER 515 CO 0.18 0.05 0.33 1.87 0.41 0.00 0.00 173.24 176.09