#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j12 n VAL 2 N 0.00 2.82 -1.91 0.00 0.24 -1.08 -2.28 118.33 116.12 1j12 n VAL 2 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1j12 n VAL 2 Cb 0.00 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 31.20 1j12 n VAL 2 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1j12 n ASN 3 N 0.09 -4.11 -0.80 -1.34 3.02 -1.26 -3.30 115.26 107.56 1j12 n ASN 3 Ca 0.11 0.11 -0.10 0.00 -0.03 0.00 0.00 54.58 54.66 1j12 n ASN 3 Cb 0.42 -3.09 -0.04 0.00 -0.61 0.00 0.00 39.78 36.46 1j12 n ASN 3 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j12 n GLY 4 N -1.18 1.12 3.86 7.41 0.00 -0.96 -4.92 105.19 110.51 1j12 n GLY 4 Ca -0.14 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1j12 n GLY 4 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1j12 n LYS 5 N -1.90 0.64 -0.16 1.61 -0.00 -1.10 -1.13 118.16 116.12 1j12 n LYS 5 Ca -0.10 -3.27 0.00 0.00 -0.00 0.00 0.00 58.31 54.94 1j12 n LYS 5 Cb 0.44 0.04 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 1j12 n LYS 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j12 n GLY 6 N -1.87 3.34 3.77 2.58 0.00 -1.26 0.12 105.19 111.87 1j12 n GLY 6 Ca 0.08 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 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 1.91 2.59 -0.04 1.61 0.23 -1.26 -4.66 119.30 119.70 1j12 s MET 7 Ca 0.00 1.27 -0.30 0.00 -1.03 0.00 0.00 55.69 55.63 1j12 s MET 7 Cb 0.00 -1.93 -0.06 0.00 -1.53 0.00 0.00 34.83 31.31 1j12 s MET 7 CO 0.00 -1.40 1.58 1.21 -2.03 0.00 0.00 175.02 174.39 1j12 s ASN 8 N -2.98 6.71 0.64 -1.18 3.84 -1.26 -4.80 114.94 115.90 1j12 s ASN 8 Ca 0.64 2.21 0.41 0.00 0.21 0.00 0.00 52.86 56.33 1j12 s ASN 8 Cb -0.19 -2.54 2.22 0.00 -0.55 0.00 0.00 41.25 40.19 1j12 s ASN 8 CO 0.48 -0.87 2.31 1.55 -2.79 0.00 0.00 177.10 177.78 1j12 h PRO 9 N 8.99 0.00 -0.16 0.43 0.13 -1.93 -1.60 132.00 137.85 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 0.94 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 1j12 n ASP 10 N -3.23 1.94 -4.62 1.44 10.43 -1.26 -4.78 116.55 116.47 1j12 n ASP 10 Ca -0.03 -1.73 -0.45 0.00 2.57 0.00 0.00 54.79 55.16 1j12 n ASP 10 Cb 0.10 -0.10 -0.02 0.00 1.84 0.00 0.00 41.12 42.94 1j12 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j12 n TYR 11 N 0.50 1.62 -3.75 1.24 9.36 -0.60 -4.81 117.16 120.71 1j12 n TYR 11 Ca 0.17 0.63 -0.13 0.00 3.32 0.00 0.00 57.90 61.88 1j12 n TYR 11 Cb 0.38 -2.32 -0.08 0.00 -0.63 0.00 0.00 39.34 36.69 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 -1.26 0.70 -0.06 2.98 1.02 -1.00 -4.75 119.74 117.37 1j12 s LYS 12 Ca 0.62 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.37 1j12 s LYS 12 Cb -0.69 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 36.90 1j12 s LYS 12 CO 0.58 -0.20 0.01 0.00 -0.92 0.00 0.00 175.35 174.82 1j12 s ALA 13 N -1.50 3.33 0.20 5.17 0.00 -1.26 -1.87 121.76 125.83 1j12 s ALA 13 Ca -0.12 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.04 1j12 s ALA 13 Cb -0.04 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 1j12 s ALA 13 CO 0.03 0.62 -0.07 0.71 0.00 0.00 0.00 175.76 177.05 1j12 s TYR 14 N -0.97 1.49 -0.06 0.00 4.12 -0.29 -0.32 117.35 121.31 1j12 s TYR 14 Ca 0.16 -0.78 0.03 0.00 0.02 0.00 0.00 57.07 56.50 1j12 s TYR 14 Cb -0.11 -0.80 0.01 0.00 -1.52 0.00 0.00 41.96 39.54 1j12 s TYR 14 CO 0.06 0.10 -0.15 -1.17 0.02 0.00 0.00 175.55 174.40 1j12 s LEU 15 N -3.26 1.78 0.08 -1.29 2.96 -0.68 -0.93 118.68 117.34 1j12 s LEU 15 Ca 0.23 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 1j12 s LEU 15 Cb 0.03 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.73 1j12 s LEU 15 CO 0.05 0.08 1.06 -0.04 -1.32 0.00 0.00 176.35 176.19 1j12 s MET 16 N 0.46 4.56 0.73 1.98 -1.94 0.06 -0.59 119.30 124.55 1j12 s MET 16 Ca -0.13 1.59 -0.11 0.00 -1.71 0.00 0.00 55.69 55.33 1j12 s MET 16 Cb -0.15 -3.37 0.03 0.00 2.01 0.00 0.00 34.83 33.35 1j12 s MET 16 CO 0.04 -0.02 1.11 0.00 -0.01 0.00 0.00 175.02 176.14 1j12 s ALA 17 N 0.49 2.86 0.91 3.03 0.00 -0.09 -0.48 121.76 128.49 1j12 s ALA 17 Ca 0.52 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1j12 s ALA 17 Cb -0.26 -2.98 0.13 0.00 0.00 0.00 0.00 23.12 20.01 1j12 s ALA 17 CO 0.30 -1.25 1.04 -2.30 0.00 0.00 0.00 175.76 173.55 1j12 n PRO 18 N -3.06 -0.39 0.08 0.00 -0.02 -1.26 -4.67 135.00 125.68 1j12 n PRO 18 Ca 0.07 -0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 1j12 n PRO 18 Cb 0.58 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.77 0.35-10.29 2.45 4.07 -1.96 -3.45 115.31 104.71 1j12 h LEU 19 Ca -0.43 -0.28 -0.48 0.00 0.08 0.00 0.00 57.88 56.76 1j12 h LEU 19 Cb 1.27 -0.11 0.03 0.00 1.08 0.00 0.00 40.66 42.93 1j12 h LEU 19 CO 0.40 1.08 -0.01 -0.54 -1.08 0.00 0.00 178.44 178.29 1j12 s LYS 20 N -3.22 3.42 0.44 1.13 1.02 -1.26 -4.99 119.74 116.28 1j12 s LYS 20 Ca -0.04 -0.08 -0.26 0.00 0.02 0.00 0.00 55.97 55.62 1j12 s LYS 20 Cb 0.10 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 1j12 s LYS 20 CO 0.84 -0.12 1.44 0.15 -0.92 0.00 0.00 175.35 176.73 1j12 s LYS 21 N -4.59 3.73 0.19 1.68 1.02 -1.26 -4.87 119.74 115.64 1j12 s LYS 21 Ca 0.45 2.44 -0.18 0.00 0.02 0.00 0.00 55.97 58.70 1j12 s LYS 21 Cb -0.10 -2.69 0.16 0.00 -0.52 0.00 0.00 37.83 34.68 1j12 s LYS 21 CO 0.41 -0.79 1.60 0.82 -0.92 0.00 0.00 175.35 176.47 1j12 h ILE 22 N 2.37 0.24 0.00 2.17 1.08 -1.93 0.10 117.51 121.54 1j12 h ILE 22 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1j12 h ILE 22 Cb 1.26 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1j12 h ILE 22 CO 0.61 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.26 1j12 n PRO 23 N -5.44 0.11 -0.01 2.37 -0.04 -1.25 -0.54 135.00 130.19 1j12 n PRO 23 Ca 0.05 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1j12 n PRO 23 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1j12 n PRO 23 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j12 n GLU 24 N -1.11 0.62 0.00 0.54 1.02 0.34 -4.48 120.64 117.57 1j12 n GLU 24 Ca 0.03 -0.15 0.01 0.00 -0.02 0.00 0.00 57.16 57.03 1j12 n GLU 24 Cb 0.02 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 1j12 n GLU 24 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1j12 n VAL 25 N -2.05 0.00 -2.17 2.62 0.24 -0.27 -5.01 118.33 111.69 1j12 n VAL 25 Ca -0.02 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1j12 n VAL 25 Cb 0.47 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1j12 n VAL 25 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1j12 n THR 26 N -0.70 0.00 -4.15 3.34 5.66 0.29 -5.10 114.28 113.62 1j12 n THR 26 Ca 0.01 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.90 1j12 n THR 26 Cb 0.05 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.72 1j12 n THR 26 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1j12 s ASN 27 N 2.00 1.06 0.22 1.09 4.22 -1.26 -3.94 114.94 118.33 1j12 s ASN 27 Ca 0.00 -0.96 -0.08 0.00 -2.14 0.00 0.00 52.86 49.68 1j12 s ASN 27 Cb 0.00 0.10 0.35 0.00 1.28 0.00 0.00 41.25 42.98 1j12 s ASN 27 CO 0.00 -0.45 1.70 -0.50 -2.04 0.00 0.00 177.10 175.82 1j12 h TRP 28 N 3.14 0.26 -0.70 1.54 4.06 -1.97 0.85 115.95 123.13 1j12 h TRP 28 Ca -0.35 0.04 0.03 0.00 2.06 0.00 0.00 58.89 60.67 1j12 h TRP 28 Cb 1.17 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 29.27 1j12 h TRP 28 CO 0.59 -0.03 0.43 0.93 -3.56 0.00 0.00 178.44 176.81 1j12 h GLU 29 N 0.29 0.82 -0.18 0.49 3.07 -2.00 -1.11 114.58 115.96 1j12 h GLU 29 Ca 0.35 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.96 1j12 h GLU 29 Cb 0.53 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1j12 h GLU 29 CO -0.42 0.54 -0.69 1.15 -1.40 0.00 0.00 179.01 178.19 1j12 h THR 30 N 0.85 1.29 -0.63 1.13 2.02 -1.81 -2.78 112.91 112.99 1j12 h THR 30 Ca 0.28 -1.91 0.10 0.00 0.77 0.00 0.00 66.41 65.65 1j12 h THR 30 Cb 0.04 1.88 -0.07 0.00 -1.74 0.00 0.00 68.15 68.25 1j12 h THR 30 CO -0.12 0.61 0.24 0.15 0.37 0.00 0.00 175.52 176.77 1j12 h PHE 31 N 0.53 0.41 -0.89 3.16 3.57 -0.39 0.14 116.94 123.48 1j12 h PHE 31 Ca -0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1j12 h PHE 31 Cb 1.30 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1j12 h PHE 31 CO 0.07 0.10 0.47 0.93 -2.23 0.00 0.00 178.31 177.65 1j12 h GLU 32 N 0.42 1.25 -0.72 1.11 5.08 -1.13 -0.46 114.58 120.13 1j12 h GLU 32 Ca 0.32 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1j12 h GLU 32 Cb 0.40 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1j12 h GLU 32 CO -0.32 0.93 0.23 -0.91 -1.00 0.00 0.00 179.01 177.94 1j12 h ASN 33 N 1.25 1.03 -0.53 1.42 2.35 -0.75 -2.48 115.58 117.87 1j12 h ASN 33 Ca 0.31 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1j12 h ASN 33 Cb 0.05 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1j12 h ASN 33 CO -0.05 0.95 0.11 0.44 -1.65 0.00 0.00 177.43 177.23 1j12 h ASP 34 N 1.06 0.83 -0.78 5.81 3.32 -0.02 -2.44 116.42 124.19 1j12 h ASP 34 Ca 0.23 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1j12 h ASP 34 Cb 0.29 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1j12 h ASP 34 CO -0.01 0.86 0.42 -0.07 -1.72 0.00 0.00 179.24 178.73 1j12 h LEU 35 N 0.76 0.98 -0.81 1.55 3.38 -0.89 0.23 115.31 120.51 1j12 h LEU 35 Ca 0.16 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1j12 h LEU 35 Cb 0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1j12 h LEU 35 CO 0.01 0.79 -0.36 0.03 0.09 0.00 0.00 178.44 179.00 1j12 h ARG 36 N 1.10 0.47 -0.30 1.13 3.08 -1.34 -0.63 114.38 117.90 1j12 h ARG 36 Ca 0.28 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 1j12 h ARG 36 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1j12 h ARG 36 CO -0.04 0.77 -0.47 2.35 -1.07 0.00 0.00 179.97 181.51 1j12 h TRP 37 N 0.40 1.05 -0.51 3.04 -0.00 -0.88 -1.73 115.95 117.32 1j12 h TRP 37 Ca 0.04 -0.36 -0.04 0.00 -0.00 0.00 0.00 58.89 58.54 1j12 h TRP 37 Cb 0.81 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.75 1j12 h TRP 37 CO 0.03 1.17 0.17 0.00 -0.00 0.00 0.00 178.44 179.81 1j12 h ALA 38 N 0.69 0.66 -0.85 2.65 0.00 -0.38 -2.00 119.26 120.03 1j12 h ALA 38 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1j12 h ALA 38 Cb 1.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1j12 h ALA 38 CO 0.11 0.31 0.57 -0.22 0.00 0.00 0.00 179.25 180.01 1j12 h LYS 39 N 0.69 1.10 0.00 0.00 3.64 -1.04 -0.35 116.57 120.60 1j12 h LYS 39 Ca 0.17 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1j12 h LYS 39 Cb 0.25 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j12 h LYS 39 CO -0.01 0.73 -0.14 0.37 -2.27 0.00 0.00 179.45 178.14 1j12 h GLN 40 N 1.14 0.00 -0.77 1.90 5.75 -0.59 -2.63 115.11 119.91 1j12 h GLN 40 Ca 0.32 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.68 1j12 h GLN 40 Cb -0.10 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.37 1j12 h GLN 40 CO -0.08 0.14 0.18 0.09 -2.65 0.00 0.00 178.83 176.51 1j12 n ASN 41 N -4.04 4.49 0.00 -0.69 3.02 -0.17 -4.92 115.26 112.96 1j12 n ASN 41 Ca -0.02 -2.95 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1j12 n ASN 41 Cb 0.22 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.06 0.87 3.74 7.41 0.00 -0.99 -4.30 105.19 111.98 1j12 n GLY 42 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.34 3.48 -0.17 1.61 0.08 -1.04 -4.40 117.98 115.21 1j12 s PHE 43 Ca 0.00 1.48 0.01 0.00 0.12 0.00 0.00 56.93 58.54 1j12 s PHE 43 Cb 0.00 -3.38 -0.22 0.00 -0.57 0.00 0.00 43.02 38.85 1j12 s PHE 43 CO 0.00 -1.00 0.16 0.98 -0.10 0.00 0.00 175.22 175.25 1j12 n TYR 44 N 2.57 0.64 -3.78 0.36 9.36 0.56 -4.21 117.16 122.67 1j12 n TYR 44 Ca 0.04 0.15 -0.10 0.00 3.32 0.00 0.00 57.90 61.32 1j12 n TYR 44 Cb 0.45 -1.09 -0.05 0.00 -0.63 0.00 0.00 39.34 38.02 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 -2.54 -0.60 -0.17 2.98 0.00 -1.24 -3.71 121.76 116.48 1j12 s ALA 45 Ca -0.23 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1j12 s ALA 45 Cb 0.08 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1j12 s ALA 45 CO 0.72 -0.67 -0.04 -1.50 0.00 0.00 0.00 175.76 174.28 1j12 s ILE 46 N -3.87 3.74 -0.08 0.00 1.10 -0.55 -1.68 121.20 119.86 1j12 s ILE 46 Ca 0.08 -0.40 -0.13 0.00 -0.51 0.00 0.00 60.65 59.70 1j12 s ILE 46 Cb 0.02 -2.65 -0.05 0.00 0.15 0.00 0.00 42.46 39.93 1j12 s ILE 46 CO -0.06 0.47 0.31 0.42 -2.11 0.00 0.00 174.94 173.96 1j12 s THR 47 N 0.67 5.24 -0.00 4.00 -4.23 0.24 -0.98 115.64 120.58 1j12 s THR 47 Ca -0.02 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1j12 s THR 47 Cb -0.14 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.08 1j12 s THR 47 CO 0.02 0.53 -0.01 0.54 -0.54 0.00 0.00 174.62 175.16 1j12 s VAL 48 N -0.57 0.04 -0.16 2.29 0.11 -0.73 -0.92 120.40 120.46 1j12 s VAL 48 Ca 0.19 -0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 1j12 s VAL 48 Cb -0.14 -0.05 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1j12 s VAL 48 CO 0.08 0.01 0.84 -1.81 -3.33 0.00 0.00 175.10 170.89 1j12 s ASP 49 N -0.01 6.97 -0.40 3.54 1.01 -1.26 0.30 116.67 126.82 1j12 s ASP 49 Ca 0.00 1.20 -0.05 0.00 0.71 0.00 0.00 52.55 54.41 1j12 s ASP 49 Cb -0.00 -2.46 0.09 0.00 1.01 0.00 0.00 42.92 41.56 1j12 s ASP 49 CO -0.00 -0.39 0.21 -0.36 0.21 0.00 0.00 175.17 174.84 1j12 s PHE 50 N 2.09 3.45 0.14 4.23 2.99 -0.19 -4.92 117.98 125.78 1j12 s PHE 50 Ca 0.39 -2.01 -0.31 0.00 0.00 0.00 0.00 56.93 55.00 1j12 s PHE 50 Cb -0.17 -3.02 -0.08 0.00 0.00 0.00 0.00 43.02 39.75 1j12 s PHE 50 CO 0.13 -0.91 1.36 -1.58 -0.00 0.00 0.00 175.22 174.22 1j12 s TRP 51 N 1.27 3.25 0.28 0.36 0.52 -1.26 -1.56 118.94 121.80 1j12 s TRP 51 Ca 0.04 1.04 -0.03 0.00 0.02 0.00 0.00 56.10 57.17 1j12 s TRP 51 Cb -0.23 -3.66 0.38 0.00 -1.15 0.00 0.00 33.47 28.82 1j12 s TRP 51 CO -0.01 -2.23 1.94 2.35 0.02 0.00 0.00 176.95 179.02 1j12 h TRP 52 N 6.36 1.13 0.00 -1.98 7.01 -1.49 -0.19 115.95 126.79 1j12 h TRP 52 Ca -0.43 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.60 1j12 h TRP 52 Cb 1.21 -0.38 -0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1j12 h TRP 52 CO 0.65 0.69 -0.00 0.78 -2.79 0.00 0.00 178.44 177.77 1j12 h GLY 53 N 1.21 0.00 0.23 2.65 0.00 -1.83 -2.30 103.07 103.04 1j12 h GLY 53 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.38 1j12 h GLY 53 CO -0.09 0.00 -1.60 1.22 0.00 0.00 0.00 176.54 176.07 1j12 n ASP 54 N -3.13 1.97 0.25 0.19 8.00 -0.17 -3.87 116.55 119.78 1j12 n ASP 54 Ca -0.02 0.33 0.14 0.00 0.71 0.00 0.00 54.79 55.95 1j12 n ASP 54 Cb 0.12 -0.92 0.56 0.00 -0.02 0.00 0.00 41.12 40.87 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 -0.59 0.00 -0.46 -1.24 2.86 -1.03 -3.33 114.93 111.15 1j12 h MET 55 Ca -0.39 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 56.99 1j12 h MET 55 Cb 1.60 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 32.93 1j12 h MET 55 CO -0.10 0.09 -0.91 -1.91 1.06 0.00 0.00 176.91 175.14 1j12 n GLU 56 N -3.21 1.45 0.24 1.72 2.13 -0.89 -1.03 120.64 121.06 1j12 n GLU 56 Ca 0.01 -2.84 -0.10 0.00 0.66 0.00 0.00 57.16 54.88 1j12 n GLU 56 Cb 0.37 -0.98 -0.05 0.00 0.27 0.00 0.00 31.44 31.06 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 2.36 -0.60 0.00 5.31 3.64 -1.68 -3.33 116.57 122.27 1j12 h LYS 57 Ca -0.20 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1j12 h LYS 57 Cb 1.26 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1j12 h LYS 57 CO 0.17 -0.40 -0.09 -0.91 -2.27 0.00 0.00 179.45 175.95 1j12 h ASN 58 N -0.62 0.00 0.00 4.20 -0.26 -1.90 -3.43 115.58 113.57 1j12 h ASN 58 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1j12 h ASN 58 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1j12 h ASN 58 CO 0.09 0.09 0.00 0.61 -1.06 0.00 0.00 177.43 177.17 1j12 n GLY 59 N -1.19 0.46 3.68 2.83 0.00 -1.25 -4.99 105.19 104.73 1j12 n GLY 59 Ca -0.03 -0.92 -0.47 0.00 0.00 0.00 0.00 46.02 44.61 1j12 n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j12 n ASP 60 N 0.00 3.49 -0.58 1.61 2.03 -1.26 -0.95 116.55 120.89 1j12 n ASP 60 Ca 0.00 0.99 -0.08 0.00 0.52 0.00 0.00 54.79 56.23 1j12 n ASP 60 Cb 0.00 -1.41 -0.03 0.00 -0.72 0.00 0.00 41.12 38.95 1j12 n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j12 n GLN 61 N 5.93 -1.07 -3.03 -0.67 1.13 -1.26 -4.92 117.38 113.48 1j12 n GLN 61 Ca 0.21 0.69 -0.44 0.00 -1.94 0.00 0.00 57.00 55.52 1j12 n GLN 61 Cb 0.31 -4.70 0.01 0.00 0.11 0.00 0.00 30.24 25.96 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 -1.69 4.05 -2.18 -1.09 6.02 -0.12 -5.02 117.38 117.34 1j12 n GLN 62 Ca -0.08 -4.38 -0.33 0.00 -0.01 0.00 0.00 57.00 52.21 1j12 n GLN 62 Cb 0.39 -2.60 -0.01 0.00 1.02 0.00 0.00 30.24 29.04 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 -1.76 3.12 -0.43 1.08 0.40 -1.26 -4.20 117.98 114.92 1j12 s PHE 63 Ca 0.33 1.50 0.05 0.00 -0.60 0.00 0.00 56.93 58.21 1j12 s PHE 63 Cb 0.00 -2.95 0.17 0.00 0.51 0.00 0.00 43.02 40.75 1j12 s PHE 63 CO 0.03 -0.88 0.48 0.34 0.70 0.00 0.00 175.22 175.89 1j12 s ASP 64 N -2.80 0.38 -0.07 1.36 -1.08 -0.19 -4.97 116.67 109.30 1j12 s ASP 64 Ca 0.63 -2.16 0.14 0.00 -0.52 0.00 0.00 52.55 50.63 1j12 s ASP 64 Cb -0.14 0.64 0.52 0.00 -1.46 0.00 0.00 42.92 42.47 1j12 s ASP 64 CO 0.34 -0.16 1.39 0.49 0.52 0.00 0.00 175.17 177.75 1j12 n PHE 65 N 3.33 1.02 -0.10 -5.34 3.01 -1.26 -4.40 117.46 113.72 1j12 n PHE 65 Ca 0.20 -0.42 -0.06 0.00 1.01 0.00 0.00 57.45 58.18 1j12 n PHE 65 Cb 0.50 -0.16 0.01 0.00 -0.01 0.00 0.00 39.48 39.82 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 3.00 -0.02 -0.56 4.37 4.64 -1.98 -1.56 113.55 121.44 1j12 h SER 66 Ca 0.00 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1j12 h SER 66 Cb 1.05 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1j12 h SER 66 CO 0.14 0.02 0.35 0.22 -0.87 0.00 0.00 176.83 176.69 1j12 h TYR 67 N 0.16 0.65 -0.70 4.77 3.20 -2.00 -0.41 116.97 122.65 1j12 h TYR 67 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1j12 h TYR 67 Cb 0.19 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1j12 h TYR 67 CO -0.20 0.38 0.44 0.00 -1.64 0.00 0.00 178.16 177.14 1j12 h ALA 68 N 1.23 1.45 -0.14 1.82 0.00 -1.77 0.03 119.26 121.89 1j12 h ALA 68 Ca 0.22 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1j12 h ALA 68 Cb -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.51 1j12 h ALA 68 CO -0.08 0.49 -0.71 1.96 0.00 0.00 0.00 179.25 180.91 1j12 h GLN 69 N 0.96 0.73 -0.51 0.00 4.20 -0.73 -2.10 115.11 117.66 1j12 h GLN 69 Ca 0.25 -0.60 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 1j12 h GLN 69 Cb -0.06 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1j12 h GLN 69 CO -0.05 1.21 0.22 -0.09 -0.67 0.00 0.00 178.83 179.45 1j12 h ARG 70 N 0.43 0.76 -0.26 1.46 9.65 -0.74 -0.94 114.38 124.74 1j12 h ARG 70 Ca -0.05 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1j12 h ARG 70 Cb 1.35 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 1j12 h ARG 70 CO 0.15 0.66 0.15 0.35 2.80 0.00 0.00 179.97 184.08 1j12 h PHE 71 N 0.69 0.29 -0.36 2.20 3.57 -1.00 -2.20 116.94 120.11 1j12 h PHE 71 Ca 0.17 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1j12 h PHE 71 Cb 0.17 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1j12 h PHE 71 CO 0.00 0.17 0.24 0.00 -2.23 0.00 0.00 178.31 176.50 1j12 h ALA 72 N 1.11 1.80 -0.39 2.41 0.00 -0.92 -2.03 119.26 121.24 1j12 h ALA 72 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1j12 h ALA 72 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1j12 h ALA 72 CO -0.04 0.17 -0.11 0.37 0.00 0.00 0.00 179.25 179.64 1j12 h GLN 73 N 0.44 0.77 -0.11 0.00 5.75 -0.57 -1.42 115.11 119.97 1j12 h GLN 73 Ca 0.14 -0.30 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 1j12 h GLN 73 Cb 0.02 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1j12 h GLN 73 CO -0.03 0.91 -0.28 0.77 -2.65 0.00 0.00 178.83 177.55 1j12 h SER 74 N 0.58 0.20 -0.18 -0.69 0.02 -1.10 0.12 113.55 112.50 1j12 h SER 74 Ca 0.10 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1j12 h SER 74 Cb 0.64 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1j12 h SER 74 CO 0.04 0.48 -0.01 0.58 -1.14 0.00 0.00 176.83 176.78 1j12 h VAL 75 N 0.18 1.27 -0.84 2.27 2.07 -1.14 -0.11 116.25 119.94 1j12 h VAL 75 Ca 0.03 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1j12 h VAL 75 Cb 0.60 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1j12 h VAL 75 CO 0.04 0.27 0.53 0.50 0.02 0.00 0.00 177.57 178.94 1j12 h LYS 76 N 0.06 1.12 -0.01 1.57 3.64 -0.89 -1.47 116.57 120.59 1j12 h LYS 76 Ca 0.05 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1j12 h LYS 76 Cb 0.42 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1j12 h LYS 76 CO 0.01 0.76 0.01 -0.91 -2.27 0.00 0.00 179.45 177.06 1j12 h ASN 77 N 1.14 0.02 0.34 4.20 2.35 -0.53 -2.09 115.58 121.01 1j12 h ASN 77 Ca 0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1j12 h ASN 77 Cb -0.09 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1j12 h ASN 77 CO -0.06 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.74 1j12 n ALA 78 N -2.10 1.72 -2.96 -0.83 0.00 -0.08 -4.88 120.51 111.39 1j12 n ALA 78 Ca -0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1j12 n ALA 78 Cb 0.04 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.11 0.32 2.92 0.00 0.00 -0.63 -4.56 105.19 103.13 1j12 n GLY 79 Ca 0.05 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1j12 n GLY 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j12 n MET 80 N -2.41 0.90 -4.47 1.61 2.81 -0.75 -5.04 117.12 109.76 1j12 n MET 80 Ca 0.00 -2.98 -0.23 0.00 -1.81 0.00 0.00 57.70 52.69 1j12 n MET 80 Cb 0.53 1.02 -0.10 0.00 -0.71 0.00 0.00 33.22 33.95 1j12 n MET 80 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1j12 s LYS 81 N -3.44 1.65 0.12 0.03 1.02 -1.24 -4.48 119.74 113.40 1j12 s LYS 81 Ca 0.05 -1.86 0.02 0.00 0.02 0.00 0.00 55.97 54.20 1j12 s LYS 81 Cb 0.00 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 1j12 s LYS 81 CO 0.03 0.04 -0.05 0.00 -0.92 0.00 0.00 175.35 174.45 1j12 s MET 82 N -3.71 0.91 -0.36 1.68 0.23 0.18 -1.48 119.30 116.75 1j12 s MET 82 Ca 0.31 -1.39 0.00 0.00 -1.03 0.00 0.00 55.69 53.59 1j12 s MET 82 Cb 0.04 -0.21 0.12 0.00 -1.53 0.00 0.00 34.83 33.25 1j12 s MET 82 CO 0.14 -0.05 0.16 0.42 -2.03 0.00 0.00 175.02 173.66 1j12 s ILE 83 N -3.64 0.95 0.53 3.16 1.01 -0.15 -1.01 121.20 122.04 1j12 s ILE 83 Ca 0.15 -1.82 -0.19 0.00 0.00 0.00 0.00 60.65 58.79 1j12 s ILE 83 Cb 0.05 -1.70 -0.07 0.00 0.01 0.00 0.00 42.46 40.76 1j12 s ILE 83 CO -0.02 -0.79 1.07 -2.16 0.00 0.00 0.00 174.94 173.04 1j12 s PRO 84 N 1.13 3.55 -0.23 2.79 0.04 -1.23 -1.78 135.00 139.28 1j12 s PRO 84 Ca 0.13 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.59 1j12 s PRO 84 Cb -0.20 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1j12 s PRO 84 CO -0.14 -0.65 -0.12 0.42 0.04 0.00 0.00 177.00 176.56 1j12 s ILE 85 N -2.02 2.39 -1.06 0.56 1.01 0.15 -1.52 121.20 120.70 1j12 s ILE 85 Ca 0.68 -1.19 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 1j12 s ILE 85 Cb -0.19 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.09 1j12 s ILE 85 CO 0.26 0.23 1.67 -0.63 0.00 0.00 0.00 174.94 176.47 1j12 s ILE 86 N 1.24 3.81 -1.10 2.92 -1.09 -0.70 -1.02 121.20 125.26 1j12 s ILE 86 Ca -0.01 -0.90 -0.22 0.00 -2.23 0.00 0.00 60.65 57.29 1j12 s ILE 86 Cb -0.17 -4.79 0.05 0.00 -1.58 0.00 0.00 42.46 35.98 1j12 s ILE 86 CO -0.07 -1.63 1.56 -0.44 -1.23 0.00 0.00 174.94 173.13 1j12 s SER 87 N 5.72 6.52 -0.10 3.58 0.01 -0.60 -3.25 113.70 125.58 1j12 s SER 87 Ca 0.55 -1.71 0.01 0.00 1.31 0.00 0.00 55.95 56.11 1j12 s SER 87 Cb -0.01 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.79 1j12 s SER 87 CO -0.02 -1.49 1.32 0.35 0.41 0.00 0.00 173.24 173.81 1j12 n THR 88 N 6.81 1.61 -4.25 1.44 -2.24 -1.26 -1.34 114.28 115.04 1j12 n THR 88 Ca 0.38 -0.51 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1j12 n THR 88 Cb 0.49 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.73 1.28 0.27 4.78 -3.43 -1.26 -4.55 115.29 111.64 1j12 s HIS 89 Ca 0.13 -0.74 -0.29 0.00 -0.80 0.00 0.00 55.06 53.35 1j12 s HIS 89 Cb 0.10 -0.65 -0.09 0.00 -1.43 0.00 0.00 32.58 30.51 1j12 s HIS 89 CO 0.02 0.09 1.04 -1.14 -2.00 0.00 0.00 174.74 172.75 1j12 s GLN 90 N -3.67 4.71 -0.20 -0.38 0.74 0.41 -4.70 119.66 116.57 1j12 s GLN 90 Ca 0.16 1.68 -0.14 0.00 0.05 0.00 0.00 55.36 57.11 1j12 s GLN 90 Cb 0.02 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 1j12 s GLN 90 CO 0.01 0.32 0.29 0.00 -0.55 0.00 0.00 175.29 175.36 1j12 n GLY 92 N 3.81 3.30 0.69 0.00 0.00 -1.26 -0.62 105.19 111.12 1j12 n GLY 92 Ca -0.11 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.09 1.59 3.86 -0.02 0.00 -1.26 -5.00 105.19 104.45 1j12 n GLY 93 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.92 5.58 -0.23 1.61 0.02 -1.26 -4.93 114.94 113.81 1j12 s ASN 94 Ca 0.00 -0.29 -0.33 0.00 -1.02 0.00 0.00 52.86 51.22 1j12 s ASN 94 Cb 0.00 -1.30 -0.10 0.00 0.02 0.00 0.00 41.25 39.87 1j12 s ASN 94 CO 0.00 -0.18 2.08 0.52 0.02 0.00 0.00 177.10 179.54 1j12 n VAL 95 N -1.31 0.36 -0.60 1.60 0.31 -1.26 -1.18 118.33 116.25 1j12 n VAL 95 Ca -0.05 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1j12 n VAL 95 Cb 0.58 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1j12 n VAL 95 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j12 n GLY 96 N 5.58 0.66 3.51 2.92 0.00 -1.26 -5.02 105.19 111.58 1j12 n GLY 96 Ca 0.32 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.30 6.20 -1.05 1.61 -0.00 -0.32 -4.93 116.67 115.88 1j12 s ASP 97 Ca 0.00 -0.64 -0.06 0.00 -0.00 0.00 0.00 52.55 51.85 1j12 s ASP 97 Cb 0.00 -2.49 0.27 0.00 -0.00 0.00 0.00 42.92 40.70 1j12 s ASP 97 CO 0.00 -1.59 1.07 -0.67 -0.00 0.00 0.00 175.17 173.99 1j12 n ASP 98 N 8.42 5.27 -3.78 0.27 2.03 -1.26 -4.60 116.55 122.89 1j12 n ASP 98 Ca 0.00 -3.12 0.03 0.00 0.52 0.00 0.00 54.79 52.22 1j12 n ASP 98 Cb 0.47 -1.26 0.01 0.00 -0.72 0.00 0.00 41.12 39.62 1j12 n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j12 s ASN 100 N -3.52 -1.35 -0.43 0.00 2.47 -1.23 -4.10 114.94 106.78 1j12 s ASN 100 Ca 0.24 -1.66 0.02 0.00 0.42 0.00 0.00 52.86 51.88 1j12 s ASN 100 Cb 0.03 1.83 0.13 0.00 -1.45 0.00 0.00 41.25 41.79 1j12 s ASN 100 CO -0.03 -0.07 0.23 -0.69 -3.72 0.00 0.00 177.10 172.82 1j12 s VAL 101 N 0.97 1.33 0.75 -5.21 1.01 0.21 -4.97 120.40 114.49 1j12 s VAL 101 Ca 0.28 -2.49 -0.11 0.00 0.00 0.00 0.00 61.98 59.66 1j12 s VAL 101 Cb -0.01 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.48 1j12 s VAL 101 CO -0.06 -0.90 1.08 -2.16 0.00 0.00 0.00 175.10 173.07 1j12 s PRO 102 N 0.41 2.48 0.77 2.72 0.04 -1.26 -0.75 135.00 139.42 1j12 s PRO 102 Ca 0.17 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 1j12 s PRO 102 Cb -0.24 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1j12 s PRO 102 CO 0.00 -1.38 1.09 0.96 0.04 0.00 0.00 177.00 177.72 1j12 s ILE 103 N -3.11 3.29 0.06 0.56 -4.36 -1.26 -3.84 121.20 112.53 1j12 s ILE 103 Ca 0.59 0.43 -0.37 0.00 -0.26 0.00 0.00 60.65 61.04 1j12 s ILE 103 Cb -0.14 -2.90 -0.16 0.00 1.25 0.00 0.00 42.46 40.50 1j12 s ILE 103 CO 0.54 -0.54 1.39 -2.65 0.24 0.00 0.00 174.94 173.93 1j12 n PRO 104 N -3.49 1.20 0.24 0.37 -0.02 -1.26 -4.84 135.00 127.20 1j12 n PRO 104 Ca 0.09 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.12 1j12 n PRO 104 Cb 0.53 -2.09 0.60 0.00 -0.02 0.00 0.00 33.50 32.52 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 4.88 0.00 0.70 2.55 4.64 -1.90 -2.68 113.55 121.74 1j12 h SER 105 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 1j12 h SER 105 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1j12 h SER 105 CO 0.80 0.17 -0.17 4.11 -0.87 0.00 0.00 176.83 180.87 1j12 h TRP 106 N 0.00 0.00 -0.99 4.77 5.08 -1.90 -3.06 115.95 119.86 1j12 h TRP 106 Ca -0.00 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.01 1j12 h TRP 106 Cb 0.54 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.65 1j12 h TRP 106 CO 0.00 0.17 0.64 0.28 -1.28 0.00 0.00 178.44 178.25 1j12 h VAL 107 N 0.00 1.15 0.00 0.12 2.07 -1.85 -1.77 116.25 115.97 1j12 h VAL 107 Ca -0.00 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1j12 h VAL 107 Cb 0.56 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1j12 h VAL 107 CO 0.02 0.22 -0.11 -0.50 0.02 0.00 0.00 177.57 177.22 1j12 h TRP 108 N 1.23 0.00 0.00 1.57 4.06 -1.72 -1.90 115.95 119.19 1j12 h TRP 108 Ca 0.40 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.35 1j12 h TRP 108 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1j12 h TRP 108 CO -0.00 0.11 0.00 0.09 -3.56 0.00 0.00 178.44 175.08 1j12 n ASN 109 N -3.73 0.00 0.23 -3.49 5.03 -0.66 -3.41 115.26 109.23 1j12 n ASN 109 Ca -0.02 -0.56 0.12 0.00 0.87 0.00 0.00 54.58 54.99 1j12 n ASN 109 Cb 0.22 -0.13 0.37 0.00 -1.02 0.00 0.00 39.78 39.23 1j12 n ASN 109 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1j12 h GLN 110 N 0.00 0.00 -6.30 3.52 1.08 -1.40 -3.45 115.11 108.56 1j12 h GLN 110 Ca 0.00 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.60 1j12 h GLN 110 Cb 0.12 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.31 1j12 h GLN 110 CO 0.00 0.11 -0.84 0.15 -0.95 0.00 0.00 178.83 177.30 1j12 s LYS 111 N -3.41 1.31 -0.12 1.46 -0.14 -1.22 -5.04 119.74 112.58 1j12 s LYS 111 Ca 0.03 -1.11 -0.09 0.00 -1.36 0.00 0.00 55.97 53.44 1j12 s LYS 111 Cb 0.08 -1.56 -0.26 0.00 -1.68 0.00 0.00 37.83 34.41 1j12 s LYS 111 CO 0.63 0.38 0.40 0.66 -0.76 0.00 0.00 175.35 176.66 1j12 h SER 112 N 4.37 0.40 -0.91 2.83 4.64 -1.88 -3.48 113.55 119.52 1j12 h SER 112 Ca -0.46 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 59.96 1j12 h SER 112 Cb 1.17 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1j12 h SER 112 CO 0.41 1.80 0.00 -0.90 -0.87 0.00 0.00 176.83 177.28 1j12 n ASP 113 N -3.62 -0.05 -1.66 4.97 3.85 -1.26 -5.00 116.55 113.78 1j12 n ASP 113 Ca -0.31 -0.44 -0.13 0.00 -0.71 0.00 0.00 54.79 53.20 1j12 n ASP 113 Cb 1.01 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 40.97 1j12 n ASP 113 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1j12 n ASP 114 N -1.40 3.06 0.19 -1.12 3.85 -1.26 -4.67 116.55 115.21 1j12 n ASP 114 Ca 0.00 -3.71 0.04 0.00 -0.71 0.00 0.00 54.79 50.41 1j12 n ASP 114 Cb 0.00 -0.73 0.40 0.00 -1.35 0.00 0.00 41.12 39.44 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 1.01 0.00 0.67 -1.12 4.64 -1.96 -3.31 113.55 113.47 1j12 h SER 115 Ca 0.42 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.54 1j12 h SER 115 Cb 2.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.30 1j12 h SER 115 CO 0.72 0.35 -0.90 -0.07 -0.87 0.00 0.00 176.83 176.06 1j12 h LEU 116 N 0.00 0.20-10.33 5.97 3.38 -1.89 -3.38 115.31 109.26 1j12 h LEU 116 Ca -0.00 -0.17 -0.58 0.00 0.09 0.00 0.00 57.88 57.22 1j12 h LEU 116 Cb 0.66 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1j12 h LEU 116 CO 0.05 1.00 -0.31 -0.72 0.09 0.00 0.00 178.44 178.54 1j12 s TYR 117 N -3.11 1.72 0.22 1.13 -0.85 -1.25 0.17 117.35 115.38 1j12 s TYR 117 Ca -0.02 -0.81 0.07 0.00 -0.52 0.00 0.00 57.07 55.79 1j12 s TYR 117 Cb 0.10 -1.93 -0.04 0.00 0.38 0.00 0.00 41.96 40.47 1j12 s TYR 117 CO 0.82 -0.44 0.13 -0.06 -1.52 0.00 0.00 175.55 174.48 1j12 s PHE 118 N -2.75 3.03 -0.10 -3.49 0.40 -0.63 -4.76 117.98 109.68 1j12 s PHE 118 Ca 0.35 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.54 1j12 s PHE 118 Cb -0.02 -1.40 0.05 0.00 0.51 0.00 0.00 43.02 42.16 1j12 s PHE 118 CO 0.22 0.53 0.22 0.21 0.70 0.00 0.00 175.22 177.11 1j12 s LYS 119 N -3.50 0.16 0.89 0.44 2.20 -1.25 -0.55 119.74 118.14 1j12 s LYS 119 Ca 0.31 0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 56.32 1j12 s LYS 119 Cb -0.08 -0.13 0.21 0.00 -1.51 0.00 0.00 37.83 36.31 1j12 s LYS 119 CO 0.23 -0.20 1.15 -1.13 -0.36 0.00 0.00 175.35 175.04 1j12 n SER 120 N 4.54 -0.17 -0.21 1.43 3.41 0.05 -1.89 113.62 120.78 1j12 n SER 120 Ca -0.20 -1.38 0.03 0.00 -0.26 0.00 0.00 58.87 57.06 1j12 n SER 120 Cb 0.52 -0.89 0.29 0.00 -0.26 0.00 0.00 64.21 63.86 1j12 n SER 120 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j12 h GLU 121 N 0.00 0.89 -0.21 4.33 5.08 -1.86 -1.55 114.58 121.27 1j12 h GLU 121 Ca -0.38 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1j12 h GLU 121 Cb 1.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1j12 h GLU 121 CO 0.26 0.59 0.00 0.25 -1.00 0.00 0.00 179.01 179.11 1j12 n THR 122 N -4.45 0.26 -0.38 1.13 -2.24 -1.26 -4.94 114.28 102.39 1j12 n THR 122 Ca 0.10 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1j12 n THR 122 Cb 0.12 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.21 0.80 3.70 3.38 0.00 -0.58 -5.05 105.19 108.65 1j12 n GLY 123 Ca 0.17 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 4.34 -0.08 2.61 2.01 -1.26 -4.72 115.64 116.55 1j12 s THR 124 Ca 0.00 1.67 -0.18 0.00 0.31 0.00 0.00 61.69 63.49 1j12 s THR 124 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1j12 s THR 124 CO 0.00 0.08 0.49 -0.69 -0.69 0.00 0.00 174.62 173.81 1j12 s VAL 125 N 1.45 5.11 -0.08 3.82 1.01 -1.26 -0.77 120.40 129.68 1j12 s VAL 125 Ca 0.56 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.58 1j12 s VAL 125 Cb -0.25 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1j12 s VAL 125 CO 0.26 0.38 -0.24 0.21 0.00 0.00 0.00 175.10 175.71 1j12 s ASN 126 N 0.23 3.13 -0.07 3.32 3.84 0.29 -4.98 114.94 120.72 1j12 s ASN 126 Ca 0.27 -0.52 0.21 0.00 0.21 0.00 0.00 52.86 53.02 1j12 s ASN 126 Cb -0.16 -1.16 0.41 0.00 -0.55 0.00 0.00 41.25 39.80 1j12 s ASN 126 CO 0.12 0.20 1.18 0.29 -2.79 0.00 0.00 177.10 176.10 1j12 n LYS 127 N 3.25 0.50 0.15 0.43 5.02 -1.26 -1.60 118.16 124.65 1j12 n LYS 127 Ca -0.18 -2.38 0.01 0.00 -2.02 0.00 0.00 58.31 53.74 1j12 n LYS 127 Cb 0.53 -0.53 0.29 0.00 -0.02 0.00 0.00 35.03 35.29 1j12 n LYS 127 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1j12 h GLU 128 N 0.95 0.06 -3.46 1.97 5.08 -1.97 -3.46 114.58 113.76 1j12 h GLU 128 Ca -0.15 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1j12 h GLU 128 Cb 1.60 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.75 1j12 h GLU 128 CO 0.06 0.48 -0.03 -0.08 -1.00 0.00 0.00 179.01 178.45 1j12 s THR 129 N -4.07 0.02 0.21 1.13 -1.32 -1.26 -0.45 115.64 109.89 1j12 s THR 129 Ca -0.03 -1.13 -0.30 0.00 -1.21 0.00 0.00 61.69 59.02 1j12 s THR 129 Cb 0.14 -1.93 -0.08 0.00 -1.51 0.00 0.00 72.50 69.12 1j12 s THR 129 CO 0.75 -0.07 1.07 -0.76 -2.21 0.00 0.00 174.62 173.39 1j12 s LEU 130 N -2.95 4.53 -0.02 9.08 1.43 -1.26 -4.81 118.68 124.67 1j12 s LEU 130 Ca 0.16 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1j12 s LEU 130 Cb -0.01 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 1j12 s LEU 130 CO 0.04 -0.14 1.67 0.21 0.23 0.00 0.00 176.35 178.36 1j12 s ASN 131 N -0.44 6.65 0.65 2.29 3.84 0.13 -4.85 114.94 123.20 1j12 s ASN 131 Ca 0.47 2.31 0.26 0.00 0.21 0.00 0.00 52.86 56.10 1j12 s ASN 131 Cb -0.29 -2.54 1.36 0.00 -0.55 0.00 0.00 41.25 39.23 1j12 s ASN 131 CO 0.36 -0.92 1.77 -0.65 -2.79 0.00 0.00 177.10 174.87 1j12 h PRO 132 N 9.37 0.00 -0.61 0.43 0.11 -1.90 -0.14 132.00 139.26 1j12 h PRO 132 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1j12 h PRO 132 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1j12 h PRO 132 CO 0.95 0.00 0.30 -0.07 -0.21 0.00 0.00 178.00 178.97 1j12 h LEU 133 N 0.00 0.76 -4.86 2.35 3.38 -1.88 -3.20 115.31 111.86 1j12 h LEU 133 Ca 0.04 -0.07 -0.58 0.00 0.09 0.00 0.00 57.88 57.36 1j12 h LEU 133 Cb 0.98 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1j12 h LEU 133 CO -0.00 0.64 3.15 0.00 0.09 0.00 0.00 178.44 182.32 1j12 n ALA 134 N -2.45 7.28 0.08 1.53 0.00 -0.07 -4.68 120.51 122.22 1j12 n ALA 134 Ca 0.06 -3.20 0.15 0.00 0.00 0.00 0.00 53.44 50.44 1j12 n ALA 134 Cb 0.12 -3.20 0.65 0.00 0.00 0.00 0.00 19.45 17.02 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 4.73 0.05 -0.21 0.00 4.64 -1.80 -1.53 113.55 119.43 1j12 h SER 135 Ca 0.76 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 62.06 1j12 h SER 135 Cb 0.47 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1j12 h SER 135 CO 1.53 0.03 0.06 -2.24 -0.87 0.00 0.00 176.83 175.34 1j12 h ASP 136 N 0.05 0.31 -0.33 4.97 2.03 -1.92 0.34 116.42 121.87 1j12 h ASP 136 Ca 0.16 -0.21 -0.07 0.00 -0.73 0.00 0.00 57.03 56.18 1j12 h ASP 136 Cb 0.59 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 1j12 h ASP 136 CO -0.01 0.44 -0.06 0.58 -1.03 0.00 0.00 179.24 179.16 1j12 h VAL 137 N 0.17 1.27 -0.64 4.15 2.07 -1.85 -2.35 116.25 119.07 1j12 h VAL 137 Ca 0.07 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1j12 h VAL 137 Cb 0.24 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1j12 h VAL 137 CO -0.00 0.36 0.26 0.40 0.02 0.00 0.00 177.57 178.60 1j12 h ILE 138 N 0.42 1.23 -0.42 4.57 2.04 -1.19 0.71 117.51 124.87 1j12 h ILE 138 Ca 0.09 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1j12 h ILE 138 Cb 0.55 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1j12 h ILE 138 CO 0.03 0.29 0.24 -0.09 0.00 0.00 0.00 178.15 178.62 1j12 h ARG 139 N 0.89 0.59 0.76 2.37 2.43 -0.23 -0.48 114.38 120.71 1j12 h ARG 139 Ca 0.21 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1j12 h ARG 139 Cb 0.20 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1j12 h ARG 139 CO -0.02 0.45 -0.37 -0.22 -1.51 0.00 0.00 179.97 178.31 1j12 h LYS 140 N 0.56 -0.99 -0.41 0.20 3.64 -1.08 -2.06 116.57 116.42 1j12 h LYS 140 Ca 0.15 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1j12 h LYS 140 Cb 0.03 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1j12 h LYS 140 CO -0.03 -0.65 0.14 0.93 -2.27 0.00 0.00 179.45 177.58 1j12 h GLU 141 N -1.25 0.63 -0.22 1.90 4.39 -0.87 -1.04 114.58 118.12 1j12 h GLU 141 Ca -0.10 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.32 1j12 h GLU 141 Cb 0.79 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1j12 h GLU 141 CO 0.17 0.61 -0.45 1.88 -1.16 0.00 0.00 179.01 180.06 1j12 h TYR 142 N 0.52 0.87 -0.53 4.33 -1.99 -1.22 -0.36 116.97 118.59 1j12 h TYR 142 Ca 0.13 -0.32 0.05 0.00 2.00 0.00 0.00 58.73 60.60 1j12 h TYR 142 Cb 0.23 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 38.75 1j12 h TYR 142 CO 0.01 1.10 0.26 0.78 -0.00 0.00 0.00 178.16 180.31 1j12 h GLY 143 N 0.40 0.75 0.96 3.88 0.00 -1.33 0.13 103.07 107.86 1j12 h GLY 143 Ca 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1j12 h GLY 143 CO 0.10 0.10 0.04 0.83 0.00 0.00 0.00 176.54 177.61 1j12 h GLU 144 N 0.51 0.74 -0.30 4.80 5.08 -1.09 -2.08 114.58 122.25 1j12 h GLU 144 Ca 0.24 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1j12 h GLU 144 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1j12 h GLU 144 CO -0.17 0.79 -0.41 1.25 -1.00 0.00 0.00 179.01 179.46 1j12 h LEU 145 N 0.60 0.79 -0.28 1.33 5.85 -0.70 -1.84 115.31 121.06 1j12 h LEU 145 Ca 0.13 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 1j12 h LEU 145 Cb 0.43 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1j12 h LEU 145 CO 0.01 1.10 -0.27 1.88 -0.34 0.00 0.00 178.44 180.83 1j12 h TYR 146 N 0.60 0.80 -0.26 1.25 0.99 -0.72 -1.38 116.97 118.25 1j12 h TYR 146 Ca 0.05 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 1j12 h TYR 146 Cb 0.96 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 38.51 1j12 h TYR 146 CO 0.05 0.97 0.12 1.15 -0.00 0.00 0.00 178.16 180.45 1j12 h THR 147 N 0.40 1.15 -0.81 -2.88 2.02 -1.39 -1.39 112.91 110.01 1j12 h THR 147 Ca 0.05 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1j12 h THR 147 Cb 0.83 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1j12 h THR 147 CO 0.07 0.15 0.32 0.00 0.37 0.00 0.00 175.52 176.43 1j12 h ALA 148 N 0.98 1.05 -0.64 6.16 0.00 -1.32 -2.58 119.26 122.92 1j12 h ALA 148 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1j12 h ALA 148 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1j12 h ALA 148 CO -0.01 0.67 0.06 0.35 0.00 0.00 0.00 179.25 180.33 1j12 h PHE 149 N 1.17 1.16 -0.37 0.00 3.57 -1.12 -2.18 116.94 119.16 1j12 h PHE 149 Ca 0.27 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1j12 h PHE 149 Cb 0.21 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1j12 h PHE 149 CO 0.02 0.99 0.23 0.00 -2.23 0.00 0.00 178.31 177.32 1j12 h ALA 150 N 1.06 0.48 -0.42 2.41 0.00 -0.97 -1.30 119.26 120.51 1j12 h ALA 150 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1j12 h ALA 150 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1j12 h ALA 150 CO 0.02 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.45 1j12 h ALA 151 N 1.10 0.54 0.00 0.00 0.00 -1.34 -0.76 119.26 118.80 1j12 h ALA 151 Ca 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1j12 h ALA 151 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1j12 h ALA 151 CO -0.03 0.08 -0.38 0.00 0.00 0.00 0.00 179.25 178.93 1j12 h ALA 152 N 1.06 1.25 -0.01 0.00 0.00 -1.24 -3.05 119.26 117.27 1j12 h ALA 152 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1j12 h ALA 152 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j12 h ALA 152 CO -0.02 0.47 -0.35 -1.33 0.00 0.00 0.00 179.25 178.02 1j12 n MET 153 N -3.91 1.23 -0.33 0.00 2.81 -0.50 -4.47 117.12 111.94 1j12 n MET 153 Ca -0.01 -0.94 0.16 0.00 -1.81 0.00 0.00 57.70 55.09 1j12 n MET 153 Cb 0.43 -1.48 0.35 0.00 -0.71 0.00 0.00 33.22 31.82 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 2.30 0.52 0.00 0.03 3.64 -1.03 0.72 116.57 122.75 1j12 h LYS 154 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1j12 h LYS 154 Cb 0.70 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1j12 h LYS 154 CO 0.00 0.35 -0.04 -1.35 -2.27 0.00 0.00 179.45 176.14 1j12 h PRO 155 N 0.54 0.00 -0.37 1.90 0.11 -1.81 -2.76 132.00 129.61 1j12 h PRO 155 Ca 0.61 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.66 1j12 h PRO 155 Cb 1.14 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1j12 h PRO 155 CO -0.48 0.04 0.03 0.66 -0.21 0.00 0.00 178.00 178.03 1j12 n TYR 156 N -3.36 1.27 0.00 0.65 4.02 0.23 -4.70 117.16 115.28 1j12 n TYR 156 Ca -0.02 -1.03 0.22 0.00 -0.01 0.00 0.00 57.90 57.06 1j12 n TYR 156 Cb 0.16 -0.41 0.72 0.00 -0.02 0.00 0.00 39.34 39.79 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 1.96 0.00 0.00 -0.72 2.10 -1.35 -1.12 116.57 117.44 1j12 h LYS 157 Ca 0.08 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 1j12 h LYS 157 Cb 1.65 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1j12 h LYS 157 CO 0.35 0.00 -0.14 0.38 -2.00 0.00 0.00 179.45 178.04 1j12 h ASP 158 N 0.00 0.00 -0.46 7.07 3.04 -1.87 -2.73 116.42 121.48 1j12 h ASP 158 Ca 0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 1j12 h ASP 158 Cb 1.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1j12 h ASP 158 CO -0.00 0.14 0.00 1.33 -2.04 0.00 0.00 179.24 178.67 1j12 n VAL 159 N -3.54 0.68 -3.48 4.15 0.24 -0.42 -4.89 118.33 111.07 1j12 n VAL 159 Ca -0.01 -0.84 -0.42 0.00 -2.04 0.00 0.00 64.34 61.03 1j12 n VAL 159 Cb 0.28 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.35 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 -1.23 5.25 -0.11 1.34 1.01 -1.03 0.50 121.20 126.93 1j12 s ILE 160 Ca 0.38 -0.38 0.16 0.00 0.00 0.00 0.00 60.65 60.80 1j12 s ILE 160 Cb 0.21 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.73 1j12 s ILE 160 CO 0.29 -0.16 0.91 0.00 0.00 0.00 0.00 174.94 175.97 1j12 h ALA 161 N 8.56 0.66 -1.69 9.38 0.00 -1.38 -3.48 119.26 131.31 1j12 h ALA 161 Ca -0.29 -0.85 0.23 0.00 0.00 0.00 0.00 54.91 54.00 1j12 h ALA 161 Cb 1.14 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 19.00 1j12 h ALA 161 CO 0.69 0.95 0.73 0.21 0.00 0.00 0.00 179.25 181.82 1j12 s LYS 162 N -2.89 0.47 -0.06 0.00 2.20 -1.25 -4.43 119.74 113.77 1j12 s LYS 162 Ca -0.02 -0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1j12 s LYS 162 Cb 0.08 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1j12 s LYS 162 CO 0.80 -0.21 -0.15 0.42 -0.36 0.00 0.00 175.35 175.86 1j12 s ILE 163 N -2.61 1.31 -0.07 5.43 1.01 -0.77 -3.51 121.20 121.99 1j12 s ILE 163 Ca 0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1j12 s ILE 163 Cb -0.00 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1j12 s ILE 163 CO -0.05 0.39 0.00 -0.31 0.00 0.00 0.00 174.94 174.97 1j12 s TYR 164 N 0.48 3.15 0.20 3.97 4.12 -0.58 -1.30 117.35 127.39 1j12 s TYR 164 Ca -0.13 0.18 0.06 0.00 0.02 0.00 0.00 57.07 57.20 1j12 s TYR 164 Cb -0.15 -1.77 -0.04 0.00 -1.52 0.00 0.00 41.96 38.49 1j12 s TYR 164 CO 0.04 0.47 0.12 -0.51 0.02 0.00 0.00 175.55 175.69 1j12 s LEU 165 N -1.03 3.68 -0.39 -1.29 1.43 -0.64 -1.72 118.68 118.73 1j12 s LEU 165 Ca 0.15 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 1j12 s LEU 165 Cb -0.11 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1j12 s LEU 165 CO 0.04 0.04 0.28 -0.55 0.23 0.00 0.00 176.35 176.39 1j12 s SER 166 N -3.33 6.08 0.00 2.29 0.15 -1.20 -4.58 113.70 113.11 1j12 s SER 166 Ca 0.31 -0.76 0.29 0.00 0.70 0.00 0.00 55.95 56.48 1j12 s SER 166 Cb -0.09 -2.15 1.30 0.00 -1.71 0.00 0.00 66.02 63.37 1j12 s SER 166 CO 0.23 -0.39 1.88 0.61 1.20 0.00 0.00 173.24 176.78 1j12 n GLY 167 N 5.14 -0.32 0.00 9.45 0.00 -1.26 -4.77 105.19 113.44 1j12 n GLY 167 Ca -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.11 -0.51 3.66 -0.02 0.00 -0.74 -4.21 105.19 104.47 1j12 n GLY 168 Ca 0.20 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 45.01 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 1.95 -2.01 1.61 -0.02 -1.21 -1.41 135.00 133.91 1j12 n PRO 169 Ca 0.00 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 62.00 1j12 n PRO 169 Cb 0.00 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.10 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 2.00 -0.50 -1.23 3.55 0.00 -1.26 -1.42 120.51 121.66 1j12 n ALA 170 Ca 0.12 0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.69 1j12 n ALA 170 Cb 0.30 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -0.65 0.99 3.39 0.00 0.00 -0.50 -5.02 105.19 103.40 1j12 n GLY 171 Ca -0.19 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.58 1.89 -0.87 1.61 2.02 -0.51 -3.99 118.70 116.27 1j12 s GLU 172 Ca 0.00 -1.07 -0.25 0.00 0.02 0.00 0.00 54.97 53.67 1j12 s GLU 172 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1j12 s GLU 172 CO 0.00 0.52 1.62 -1.17 0.02 0.00 0.00 175.26 176.25 1j12 s LEU 173 N -1.36 3.31 0.23 1.80 2.96 0.42 -1.79 118.68 124.24 1j12 s LEU 173 Ca 0.13 -0.76 -0.21 0.00 -0.22 0.00 0.00 54.13 53.07 1j12 s LEU 173 Cb -0.10 -2.56 0.07 0.00 0.50 0.00 0.00 46.19 44.10 1j12 s LEU 173 CO 0.04 -2.06 0.98 0.00 -1.32 0.00 0.00 176.35 173.98 1j12 s ARG 174 N 6.02 1.53 0.15 1.98 1.70 -1.26 -4.64 118.95 124.44 1j12 s ARG 174 Ca 0.54 -0.97 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 1j12 s ARG 174 Cb -0.05 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 1j12 s ARG 174 CO 0.02 -0.71 0.33 0.71 -1.08 0.00 0.00 175.30 174.57 1j12 s TYR 175 N -2.27 3.49 -1.44 5.89 1.51 -0.75 -4.40 117.35 119.38 1j12 s TYR 175 Ca 0.20 0.31 -0.09 0.00 -1.01 0.00 0.00 57.07 56.47 1j12 s TYR 175 Cb -0.03 -1.82 -0.10 0.00 -0.11 0.00 0.00 41.96 39.90 1j12 s TYR 175 CO 0.07 0.46 2.96 -0.35 -1.11 0.00 0.00 175.55 177.57 1j12 n PRO 176 N -0.34 3.45 0.18 -1.71 -0.04 -1.26 -4.59 135.00 130.69 1j12 n PRO 176 Ca -0.05 -2.05 0.07 0.00 -0.04 0.00 0.00 63.50 61.44 1j12 n PRO 176 Cb 0.53 -2.71 0.20 0.00 -0.04 0.00 0.00 33.50 31.48 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 4.92 0.00 -3.96 3.54 4.64 -1.81 -3.41 113.55 117.47 1j12 h SER 177 Ca 0.80 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.44 1j12 h SER 177 Cb 0.37 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.09 1j12 h SER 177 CO 1.63 0.30 -0.54 -0.72 -0.87 0.00 0.00 176.83 176.63 1j12 s TYR 178 N -3.24 3.46 0.02 4.77 -0.85 -1.26 -2.96 117.35 117.29 1j12 s TYR 178 Ca 0.04 -2.82 0.01 0.00 -0.52 0.00 0.00 57.07 53.77 1j12 s TYR 178 Cb 0.08 -3.06 -0.01 0.00 0.38 0.00 0.00 41.96 39.35 1j12 s TYR 178 CO 0.69 -0.87 -0.04 0.95 -1.52 0.00 0.00 175.55 174.77 1j12 s THR 179 N 0.34 0.25 0.19 -3.49 -4.23 -1.25 -4.62 115.64 102.84 1j12 s THR 179 Ca 0.14 -0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1j12 s THR 179 Cb -0.22 -0.31 0.11 0.00 1.34 0.00 0.00 72.50 73.42 1j12 s THR 179 CO -0.04 -0.23 1.79 0.71 -0.54 0.00 0.00 174.62 176.31 1j12 h THR 180 N 4.80 0.94 -0.67 3.99 1.35 -1.91 0.21 112.91 121.63 1j12 h THR 180 Ca -0.30 -0.19 0.08 0.00 -0.55 0.00 0.00 66.41 65.44 1j12 h THR 180 Cb 1.20 0.33 -0.04 0.00 -1.73 0.00 0.00 68.15 67.91 1j12 h THR 180 CO 0.45 0.10 0.44 0.28 -0.25 0.00 0.00 175.52 176.54 1j12 h SER 181 N 0.57 0.55 0.12 5.36 0.02 -1.98 0.89 113.55 119.07 1j12 h SER 181 Ca 0.26 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1j12 h SER 181 Cb 0.18 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1j12 h SER 181 CO -0.18 0.35 -0.14 -0.67 -1.14 0.00 0.00 176.83 175.05 1j12 n ASP 182 N -4.48 1.26 -1.60 3.07 4.64 -0.73 -4.93 116.55 113.77 1j12 n ASP 182 Ca 0.10 -1.18 -0.14 0.00 -1.38 0.00 0.00 54.79 52.19 1j12 n ASP 182 Cb 0.28 0.07 -0.01 0.00 -1.04 0.00 0.00 41.12 40.42 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 1.26 -0.18 0.22 0.27 0.00 0.31 -4.91 105.19 102.16 1j12 n GLY 183 Ca 0.15 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.98 1.82 -0.80 2.61 -2.24 -0.07 -4.94 114.28 106.69 1j12 n THR 184 Ca -0.17 -2.01 -0.28 0.00 -2.27 0.00 0.00 64.05 59.32 1j12 n THR 184 Cb 0.62 -0.13 0.22 0.00 -2.10 0.00 0.00 70.33 68.95 1j12 n THR 184 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j12 s GLY 185 N -2.43 1.56 0.40 3.38 0.00 -1.22 -3.91 107.32 105.10 1j12 s GLY 185 Ca 0.30 -0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 1j12 s GLY 185 CO 0.04 0.47 1.35 2.98 0.00 0.00 0.00 173.10 177.94 1j12 n TYR 186 N -4.61 2.44 -0.93 1.90 9.36 -1.26 -1.07 117.16 122.98 1j12 n TYR 186 Ca 0.04 0.49 0.02 0.00 3.32 0.00 0.00 57.90 61.77 1j12 n TYR 186 Cb 0.55 -2.43 0.36 0.00 -0.63 0.00 0.00 39.34 37.19 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 0.23 4.43 -0.64 2.98 -0.04 -1.26 -5.12 135.00 135.59 1j12 n PRO 187 Ca 0.05 -3.10 -0.31 0.00 -0.04 0.00 0.00 63.50 60.11 1j12 n PRO 187 Cb 0.39 -2.25 0.19 0.00 -0.04 0.00 0.00 33.50 31.78 1j12 n PRO 187 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j12 n SER 188 N 0.32 -0.03 -4.78 3.54 7.64 -0.24 -4.51 113.62 115.56 1j12 n SER 188 Ca 0.33 0.32 -0.33 0.00 1.01 0.00 0.00 58.87 60.19 1j12 n SER 188 Cb 1.27 -1.44 0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1j12 n SER 188 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j12 s ARG 189 N -4.60 3.08 0.67 1.43 1.70 -1.26 -4.80 118.95 115.17 1j12 s ARG 189 Ca 0.67 1.38 -0.04 0.00 -0.47 0.00 0.00 55.73 57.27 1j12 s ARG 189 Cb -0.23 -1.99 0.06 0.00 -0.57 0.00 0.00 34.95 32.21 1j12 s ARG 189 CO 0.59 -1.03 0.95 0.20 -1.08 0.00 0.00 175.30 174.94 1j12 s GLY 190 N -2.45 1.73 0.04 3.88 0.00 -0.17 -4.72 107.32 105.62 1j12 s GLY 190 Ca 0.67 -1.06 0.08 0.00 0.00 0.00 0.00 44.72 44.41 1j12 s GLY 190 CO 0.37 -0.68 -0.21 0.54 0.00 0.00 0.00 173.10 173.12 1j12 s LYS 191 N -5.12 2.00 0.35 2.90 1.02 -1.15 -4.82 119.74 114.91 1j12 s LYS 191 Ca 0.60 -1.01 -0.27 0.00 0.02 0.00 0.00 55.97 55.31 1j12 s LYS 191 Cb -0.10 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 35.00 1j12 s LYS 191 CO 0.43 0.53 1.15 -0.06 -0.92 0.00 0.00 175.35 176.49 1j12 s PHE 192 N -0.86 3.24 -0.61 3.18 0.40 -1.26 -4.52 117.98 117.54 1j12 s PHE 192 Ca 0.13 1.59 0.03 0.00 -0.60 0.00 0.00 56.93 58.08 1j12 s PHE 192 Cb -0.10 -3.37 0.38 0.00 0.51 0.00 0.00 43.02 40.43 1j12 s PHE 192 CO 0.04 -1.08 1.31 1.04 0.70 0.00 0.00 175.22 177.23 1j12 n GLN 193 N 0.49 3.47 -1.57 0.44 1.13 -1.26 -2.70 117.38 117.39 1j12 n GLN 193 Ca 0.02 -4.44 -0.04 0.00 -1.94 0.00 0.00 57.00 50.60 1j12 n GLN 193 Cb 0.46 -2.27 0.09 0.00 0.11 0.00 0.00 30.24 28.62 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 -0.39 3.57 -1.17 -1.58 0.00 -1.22 -4.48 120.51 115.24 1j12 n ALA 194 Ca 0.40 -3.14 -0.12 0.00 0.00 0.00 0.00 53.44 50.59 1j12 n ALA 194 Cb 0.47 -0.52 0.24 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.57 2.44 -3.44 0.00 4.02 -0.79 -4.09 117.16 114.73 1j12 n TYR 195 Ca 0.21 -1.49 -0.26 0.00 -0.01 0.00 0.00 57.90 56.34 1j12 n TYR 195 Cb 0.88 -0.75 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 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 -3.14 5.10 0.38 -0.72 -4.23 -1.26 -4.82 115.64 106.95 1j12 s THR 196 Ca 0.54 -0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1j12 s THR 196 Cb 0.45 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.78 1j12 s THR 196 CO 0.10 -0.39 2.02 -0.33 -0.54 0.00 0.00 174.62 175.48 1j12 h GLU 197 N 1.36 0.65 -0.49 3.99 4.39 -1.91 -1.59 114.58 120.98 1j12 h GLU 197 Ca -0.49 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 1j12 h GLU 197 Cb 1.20 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1j12 h GLU 197 CO 0.64 0.43 0.26 0.35 -1.16 0.00 0.00 179.01 179.54 1j12 h PHE 198 N 0.67 0.67 -0.70 4.33 3.57 -1.93 -1.53 116.94 122.02 1j12 h PHE 198 Ca 0.22 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1j12 h PHE 198 Cb 0.06 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1j12 h PHE 198 CO -0.00 0.51 0.27 0.00 -2.23 0.00 0.00 178.31 176.86 1j12 h ALA 199 N 1.10 0.91 -0.27 2.41 0.00 -1.62 -2.05 119.26 119.74 1j12 h ALA 199 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j12 h ALA 199 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1j12 h ALA 199 CO -0.03 0.53 0.16 0.87 0.00 0.00 0.00 179.25 180.78 1j12 h LYS 200 N 1.00 0.37 -0.83 0.00 1.57 -0.92 -1.73 116.57 116.03 1j12 h LYS 200 Ca 0.23 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1j12 h LYS 200 Cb 0.22 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1j12 h LYS 200 CO -0.02 0.31 0.51 0.77 -0.57 0.00 0.00 179.45 180.46 1j12 h SER 201 N 0.33 0.99 -0.47 0.86 0.02 -1.13 -1.47 113.55 112.67 1j12 h SER 201 Ca 0.10 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1j12 h SER 201 Cb 0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1j12 h SER 201 CO -0.02 0.75 0.17 0.11 -1.14 0.00 0.00 176.83 176.70 1j12 h LYS 202 N 1.14 0.72 -0.15 3.45 1.79 -1.14 -0.51 116.57 121.86 1j12 h LYS 202 Ca 0.30 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1j12 h LYS 202 Cb -0.07 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1j12 h LYS 202 CO -0.06 0.67 0.04 0.35 -1.08 0.00 0.00 179.45 179.37 1j12 h PHE 203 N 0.63 0.25 -0.31 -1.35 3.57 -1.10 -1.02 116.94 117.61 1j12 h PHE 203 Ca 0.16 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1j12 h PHE 203 Cb 0.23 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1j12 h PHE 203 CO 0.01 0.37 -0.04 -0.09 -2.23 0.00 0.00 178.31 176.32 1j12 h ARG 204 N 0.06 0.04 -0.08 1.11 2.43 -1.12 0.37 114.38 117.19 1j12 h ARG 204 Ca 0.05 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1j12 h ARG 204 Cb 0.24 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1j12 h ARG 204 CO -0.00 0.03 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.08 1j12 h LEU 205 N 0.04 0.15 -0.48 3.80 3.38 -1.03 -1.39 115.31 119.78 1j12 h LEU 205 Ca 0.15 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1j12 h LEU 205 Cb 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1j12 h LEU 205 CO -0.28 0.48 -0.12 -0.25 0.09 0.00 0.00 178.44 178.36 1j12 h TRP 206 N 0.13 1.03 0.20 1.13 7.01 -0.34 -1.74 115.95 123.38 1j12 h TRP 206 Ca 0.02 -0.22 -0.01 0.00 2.11 0.00 0.00 58.89 60.79 1j12 h TRP 206 Cb 0.66 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1j12 h TRP 206 CO 0.01 1.00 -0.09 0.28 -2.79 0.00 0.00 178.44 176.84 1j12 h VAL 207 N 0.77 0.90 0.00 2.65 2.07 -0.57 -2.36 116.25 119.71 1j12 h VAL 207 Ca 0.12 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1j12 h VAL 207 Cb 0.67 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1j12 h VAL 207 CO 0.05 0.15 -0.05 -0.07 0.02 0.00 0.00 177.57 177.67 1j12 h LEU 208 N -0.60 0.00 -0.08 2.57 3.38 -1.31 -1.21 115.31 118.05 1j12 h LEU 208 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.69 1j12 h LEU 208 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1j12 h LEU 208 CO 0.04 0.05 -0.98 -1.13 0.09 0.00 0.00 178.44 176.51 1j12 h ASN 209 N 0.00 0.78 -0.42 -0.43 -0.73 -1.23 0.60 115.58 114.16 1j12 h ASN 209 Ca -0.00 -0.61 -0.09 0.00 1.87 0.00 0.00 56.30 57.47 1j12 h ASN 209 Cb 0.12 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 1j12 h ASN 209 CO 0.01 1.41 -0.07 0.50 -0.37 0.00 0.00 177.43 178.91 1j12 h LYS 210 N 0.35 0.79 0.00 6.67 3.64 -0.71 -3.34 116.57 123.97 1j12 h LYS 210 Ca -0.10 -0.29 -0.19 0.00 -1.27 0.00 0.00 60.65 58.80 1j12 h LYS 210 Cb 1.63 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.36 1j12 h LYS 210 CO 0.19 0.90 -2.13 0.66 -2.27 0.00 0.00 179.45 176.80 1j12 n TYR 211 N -4.34 0.00 0.00 1.91 4.02 -0.57 -5.04 117.16 113.14 1j12 n TYR 211 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1j12 n TYR 211 Cb 0.35 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 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 1.60 2.74 3.16 2.72 0.00 0.21 -4.81 105.19 110.82 1j12 n GLY 212 Ca -0.18 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1j12 n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j12 s SER 213 N 0.00 0.30 0.49 1.61 1.04 -1.26 -4.81 113.70 111.07 1j12 s SER 213 Ca 0.00 -1.00 0.15 0.00 0.48 0.00 0.00 55.95 55.57 1j12 s SER 213 Cb 0.00 0.29 1.16 0.00 0.10 0.00 0.00 66.02 67.57 1j12 s SER 213 CO 0.00 -0.71 2.09 0.25 0.98 0.00 0.00 173.24 175.85 1j12 h LEU 214 N 2.90 0.15 -1.20 2.42 5.85 -1.95 -0.46 115.31 123.02 1j12 h LEU 214 Ca -0.34 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1j12 h LEU 214 Cb 1.18 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1j12 h LEU 214 CO 0.59 0.11 -0.07 0.78 -0.34 0.00 0.00 178.44 179.51 1j12 h ASN 215 N 0.18 0.44 0.55 1.25 2.35 -1.96 0.06 115.58 118.46 1j12 h ASN 215 Ca 0.10 -0.10 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 1j12 h ASN 215 Cb 0.17 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1j12 h ASN 215 CO -0.02 0.56 -1.30 -0.33 -1.65 0.00 0.00 177.43 174.70 1j12 h GLU 216 N 0.44 0.33 0.02 0.81 4.39 -1.45 -2.74 114.58 116.38 1j12 h GLU 216 Ca 0.09 -0.57 0.01 0.00 0.34 0.00 0.00 59.36 59.23 1j12 h GLU 216 Cb 0.40 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1j12 h GLU 216 CO 0.02 1.27 -0.06 0.28 -1.16 0.00 0.00 179.01 179.36 1j12 h VAL 217 N 0.09 0.85 -0.98 3.13 2.07 -0.72 -0.56 116.25 120.14 1j12 h VAL 217 Ca -0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1j12 h VAL 217 Cb 2.02 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 1j12 h VAL 217 CO 0.22 0.00 0.65 0.78 0.02 0.00 0.00 177.57 179.24 1j12 h ASN 218 N -0.11 1.11 -0.58 0.57 2.35 -1.07 0.12 115.58 117.96 1j12 h ASN 218 Ca 0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1j12 h ASN 218 Cb 0.13 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1j12 h ASN 218 CO -0.05 0.79 0.30 0.11 -1.65 0.00 0.00 177.43 176.93 1j12 h LYS 219 N 1.30 0.82 -0.27 0.81 1.57 -1.10 0.49 116.57 120.19 1j12 h LYS 219 Ca 0.37 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1j12 h LYS 219 Cb -0.10 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1j12 h LYS 219 CO -0.09 0.65 -0.59 0.00 -0.57 0.00 0.00 179.45 178.85 1j12 h ALA 220 N 1.13 0.44 0.00 3.86 0.00 -0.51 -3.24 119.26 120.93 1j12 h ALA 220 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1j12 h ALA 220 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j12 h ALA 220 CO -0.03 0.68 -0.51 0.91 0.00 0.00 0.00 179.25 180.30 1j12 n TRP 221 N -3.99 0.21 -2.47 0.00 8.01 0.37 -4.81 117.44 114.75 1j12 n TRP 221 Ca -0.05 0.06 -0.16 0.00 -1.31 0.00 0.00 57.50 56.05 1j12 n TRP 221 Cb 0.65 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 1j12 n TRP 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1j12 n GLY 222 N 1.44 -0.23 3.94 6.99 0.00 0.16 -4.77 105.19 112.71 1j12 n GLY 222 Ca 0.05 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1j12 n GLY 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j12 s THR 223 N -2.84 1.71 -0.43 2.61 -4.23 -0.79 -5.03 115.64 106.63 1j12 s THR 223 Ca 0.08 -1.38 0.09 0.00 -1.18 0.00 0.00 61.69 59.30 1j12 s THR 223 Cb -0.03 -2.09 0.32 0.00 1.34 0.00 0.00 72.50 72.03 1j12 s THR 223 CO 0.10 0.00 0.72 0.29 -0.54 0.00 0.00 174.62 175.18 1j12 n LYS 224 N -1.89 1.41 -2.80 3.99 5.02 -1.26 -4.70 118.16 117.92 1j12 n LYS 224 Ca 0.02 -3.69 -0.41 0.00 -2.02 0.00 0.00 58.31 52.21 1j12 n LYS 224 Cb 0.64 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1j12 n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j12 s LEU 225 N -2.31 4.34 -0.03 -0.35 1.43 -1.26 -4.97 118.68 115.53 1j12 s LEU 225 Ca 0.40 1.51 -0.22 0.00 -1.03 0.00 0.00 54.13 54.79 1j12 s LEU 225 Cb 0.28 -3.43 -0.26 0.00 0.03 0.00 0.00 46.19 42.81 1j12 s LEU 225 CO -0.09 -0.24 0.99 0.40 0.23 0.00 0.00 176.35 177.64 1j12 h ILE 226 N 4.83 1.50 -1.71 -0.59 2.04 -1.98 -3.48 117.51 118.12 1j12 h ILE 226 Ca -0.40 -2.23 -0.60 0.00 1.00 0.00 0.00 64.86 62.63 1j12 h ILE 226 Cb 1.21 2.89 -0.13 0.00 -0.74 0.00 0.00 36.82 40.04 1j12 h ILE 226 CO 0.76 0.63 -0.58 -0.94 0.00 0.00 0.00 178.15 178.02 1j12 s SER 227 N -6.71 3.55 0.32 1.72 1.04 -1.26 -5.05 113.70 107.31 1j12 s SER 227 Ca -0.14 -1.45 0.16 0.00 0.48 0.00 0.00 55.95 55.00 1j12 s SER 227 Cb 0.02 -0.10 0.45 0.00 0.10 0.00 0.00 66.02 66.49 1j12 s SER 227 CO 0.80 -0.59 1.63 -0.33 0.98 0.00 0.00 173.24 175.73 1j12 h GLU 228 N 1.76 0.00 0.00 4.02 3.07 -1.99 -2.95 114.58 118.49 1j12 h GLU 228 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1j12 h GLU 228 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1j12 h GLU 228 CO 0.76 0.48 0.00 1.28 -1.40 0.00 0.00 179.01 180.13 1j12 n LEU 229 N -3.51 0.00 0.07 1.33 7.99 -1.26 -1.69 117.00 119.94 1j12 n LEU 229 Ca 0.00 0.46 0.13 0.00 -0.01 0.00 0.00 56.01 56.59 1j12 n LEU 229 Cb 0.60 -0.46 0.39 0.00 -0.11 0.00 0.00 43.42 43.83 1j12 n LEU 229 CO 0.39 -0.31 0.76 0.00 -1.51 0.00 0.00 177.39 176.72 1j12 n ALA 230 N -1.46 2.51 -2.41 -1.18 0.00 -1.11 -4.65 120.51 112.20 1j12 n ALA 230 Ca 0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1j12 n ALA 230 Cb 0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 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 -3.09 3.82 0.22 0.00 1.01 -0.68 -4.95 121.20 117.53 1j12 s ILE 231 Ca 0.10 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 1j12 s ILE 231 Cb 0.14 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1j12 s ILE 231 CO 0.62 -1.16 0.17 -0.76 0.00 0.00 0.00 174.94 173.81 1j12 s LEU 232 N 5.89 1.18 0.85 2.97 1.43 -1.26 -4.64 118.68 125.10 1j12 s LEU 232 Ca 0.52 -1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1j12 s LEU 232 Cb -0.11 0.49 0.10 0.00 0.03 0.00 0.00 46.19 46.71 1j12 s LEU 232 CO 0.25 -0.89 1.14 -2.16 0.23 0.00 0.00 176.35 174.92 1j12 s PRO 233 N -4.04 1.61 -0.39 1.29 0.04 -1.26 -4.93 135.00 127.32 1j12 s PRO 233 Ca 0.38 0.31 -0.43 0.00 0.04 0.00 0.00 61.00 61.31 1j12 s PRO 233 Cb 0.06 -1.89 -0.18 0.00 0.04 0.00 0.00 34.50 32.53 1j12 s PRO 233 CO 0.14 -1.88 1.73 -2.30 0.04 0.00 0.00 177.00 174.74 1j12 n PRO 234 N -3.55 0.59 0.16 0.56 -0.02 -1.26 -4.86 135.00 126.62 1j12 n PRO 234 Ca 0.07 0.21 0.02 0.00 -2.02 0.00 0.00 63.50 61.78 1j12 n PRO 234 Cb 0.59 -1.82 0.25 0.00 -0.02 0.00 0.00 33.50 32.49 1j12 n PRO 234 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j12 h SER 235 N 6.65 0.00 -3.34 2.55 4.64 -2.02 -3.39 113.55 118.64 1j12 h SER 235 Ca -0.42 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.33 1j12 h SER 235 Cb 1.35 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.04 1j12 h SER 235 CO 0.98 0.51 -0.76 -0.62 -0.87 0.00 0.00 176.83 176.06 1j12 s ASP 236 N -6.69 3.62 0.10 4.97 3.68 -1.26 -5.03 116.67 116.07 1j12 s ASP 236 Ca -0.01 -1.25 -0.20 0.00 2.13 0.00 0.00 52.55 53.22 1j12 s ASP 236 Cb 0.12 -0.88 -0.09 0.00 -1.45 0.00 0.00 42.92 40.62 1j12 s ASP 236 CO 0.73 -0.33 1.70 1.23 0.13 0.00 0.00 175.17 178.63 1j12 h GLY 237 N 8.09 0.27 0.98 2.66 0.00 -1.99 0.84 103.07 113.92 1j12 h GLY 237 Ca -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1j12 h GLY 237 CO 0.41 0.12 0.27 -2.09 0.00 0.00 0.00 176.54 175.25 1j12 h GLU 238 N 0.18 0.72 -0.48 4.80 4.81 -1.95 0.59 114.58 123.25 1j12 h GLU 238 Ca 0.06 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1j12 h GLU 238 Cb 0.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1j12 h GLU 238 CO -0.01 0.57 -0.03 0.37 -0.73 0.00 0.00 179.01 179.18 1j12 h GLN 239 N 0.69 0.82 -0.72 1.92 5.75 -1.97 0.95 115.11 122.54 1j12 h GLN 239 Ca 0.18 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1j12 h GLN 239 Cb 0.07 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1j12 h GLN 239 CO -0.03 0.84 0.30 0.35 -2.65 0.00 0.00 178.83 177.64 1j12 h PHE 240 N 0.76 1.08 0.00 3.99 3.57 -0.32 -1.26 116.94 124.76 1j12 h PHE 240 Ca 0.14 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1j12 h PHE 240 Cb 0.50 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1j12 h PHE 240 CO 0.03 0.83 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.64 1j12 h LEU 241 N 1.02 0.00 0.03 0.59 3.38 -0.37 0.21 115.31 120.18 1j12 h LEU 241 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 1j12 h LEU 241 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.96 1j12 h LEU 241 CO -0.02 0.23 -0.70 0.24 0.09 0.00 0.00 178.44 178.27 1j12 h MET 242 N 0.00 0.42 0.00 1.13 2.86 -0.01 -3.38 114.93 115.96 1j12 h MET 242 Ca -0.00 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1j12 h MET 242 Cb 0.83 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1j12 h MET 242 CO 0.03 1.16 0.00 0.27 1.06 0.00 0.00 176.91 179.43 1j12 n ASN 243 N -4.15 0.00 -0.33 1.22 6.94 -0.55 -4.93 115.26 113.46 1j12 n ASN 243 Ca -0.11 0.00 0.18 0.00 -0.02 0.00 0.00 54.58 54.63 1j12 n ASN 243 Cb 0.73 0.00 0.43 0.00 -2.36 0.00 0.00 39.78 38.58 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 1.49 1.92 4.83 0.00 -1.20 -0.26 103.07 109.86 1j12 h GLY 244 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1j12 h GLY 244 CO 0.00 -0.12 0.03 0.10 0.00 0.00 0.00 176.54 176.55 1j12 h TYR 245 N 0.55 0.00 0.00 5.60 -0.00 -0.91 -1.70 116.97 120.51 1j12 h TYR 245 Ca 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.27 1j12 h TYR 245 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.95 1j12 h TYR 245 CO -0.00 0.00 -0.60 -0.07 -0.00 0.00 0.00 178.16 177.48 1j12 h LEU 246 N 0.00 0.00-10.44 0.10 3.38 -1.32 -3.29 115.31 103.74 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 0.06 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.94 1j12 h LEU 246 CO 0.00 0.18 0.30 -0.94 0.09 0.00 0.00 178.44 178.08 1j12 s SER 247 N -5.95 3.84 0.36 -0.43 1.04 -0.64 -4.80 113.70 107.13 1j12 s SER 247 Ca 0.03 1.16 0.06 0.00 0.48 0.00 0.00 55.95 57.68 1j12 s SER 247 Cb 0.07 -1.82 0.69 0.00 0.10 0.00 0.00 66.02 65.06 1j12 s SER 247 CO 0.74 -2.37 1.91 0.24 0.98 0.00 0.00 173.24 174.74 1j12 h MET 248 N -1.37 0.44 -0.05 4.02 2.86 -1.87 0.11 114.93 119.07 1j12 h MET 248 Ca -0.49 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.05 1j12 h MET 248 Cb 1.30 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 1j12 h MET 248 CO 0.60 0.48 0.01 -0.92 1.06 0.00 0.00 176.91 178.14 1j12 h TYR 249 N 0.42 0.09 -0.58 -0.22 3.20 -1.88 -1.38 116.97 116.61 1j12 h TYR 249 Ca 0.09 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1j12 h TYR 249 Cb 0.30 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1j12 h TYR 249 CO 0.01 0.30 0.34 0.78 -1.64 0.00 0.00 178.16 177.94 1j12 h GLY 250 N -0.15 0.83 1.00 1.82 0.00 -1.45 0.65 103.07 105.78 1j12 h GLY 250 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1j12 h GLY 250 CO 0.00 0.19 0.34 0.50 0.00 0.00 0.00 176.54 177.57 1j12 h LYS 251 N 0.65 0.92 -0.24 4.80 6.56 -0.77 -2.45 116.57 126.04 1j12 h LYS 251 Ca 0.24 -0.12 -0.03 0.00 -1.06 0.00 0.00 60.65 59.69 1j12 h LYS 251 Cb 0.08 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 1j12 h LYS 251 CO -0.13 0.71 0.04 -0.44 -2.06 0.00 0.00 179.45 177.58 1j12 h ASP 252 N 0.89 0.38 -0.61 0.86 3.32 -0.53 -1.95 116.42 118.78 1j12 h ASP 252 Ca 0.23 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1j12 h ASP 252 Cb 0.07 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1j12 h ASP 252 CO -0.03 0.53 0.33 0.22 -1.72 0.00 0.00 179.24 178.57 1j12 h TYR 253 N 0.21 0.85 -0.06 4.55 3.20 -0.87 -1.99 116.97 122.87 1j12 h TYR 253 Ca 0.07 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1j12 h TYR 253 Cb 0.31 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1j12 h TYR 253 CO 0.02 0.62 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.76 1j12 h LEU 254 N 0.84 0.10 -0.15 2.82 3.38 -1.42 0.02 115.31 120.90 1j12 h LEU 254 Ca 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1j12 h LEU 254 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1j12 h LEU 254 CO -0.03 0.44 0.03 -0.08 0.09 0.00 0.00 178.44 178.88 1j12 h GLU 255 N 0.09 0.24 0.03 1.13 4.81 -0.88 -2.26 114.58 117.74 1j12 h GLU 255 Ca 0.01 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1j12 h GLU 255 Cb 0.64 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1j12 h GLU 255 CO 0.05 0.42 -0.01 2.35 -0.73 0.00 0.00 179.01 181.08 1j12 h TRP 256 N 0.03 -0.03 -0.31 0.92 7.01 -1.12 0.45 115.95 122.90 1j12 h TRP 256 Ca 0.05 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.11 1j12 h TRP 256 Cb 0.29 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.29 1j12 h TRP 256 CO 0.02 0.17 -0.19 -0.92 -2.79 0.00 0.00 178.44 174.73 1j12 h TYR 257 N -0.23 -0.48 -0.11 2.65 3.20 -1.01 -1.06 116.97 119.93 1j12 h TYR 257 Ca -0.00 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.72 1j12 h TYR 257 Cb 0.22 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1j12 h TYR 257 CO -0.01 -0.27 -0.71 0.37 -1.64 0.00 0.00 178.16 175.91 1j12 h GLN 258 N -0.15 0.50 -0.86 1.82 4.15 -1.44 -3.18 115.11 115.95 1j12 h GLN 258 Ca 0.16 -0.39 0.14 0.00 0.77 0.00 0.00 58.65 59.33 1j12 h GLN 258 Cb 0.40 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 1j12 h GLN 258 CO -0.40 1.02 0.56 0.78 -1.93 0.00 0.00 178.83 178.86 1j12 h GLY 259 N 1.11 1.11 0.96 2.39 0.00 -0.03 0.59 103.07 109.21 1j12 h GLY 259 Ca -0.03 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.08 1j12 h GLY 259 CO 0.13 0.09 0.55 -2.22 0.00 0.00 0.00 176.54 175.09 1j12 h ILE 260 N 0.65 1.08 -0.12 2.60 1.08 -1.20 -0.27 117.51 121.33 1j12 h ILE 260 Ca 0.43 -0.33 -0.18 0.00 -0.39 0.00 0.00 64.86 64.38 1j12 h ILE 260 Cb 0.73 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1j12 h ILE 260 CO -0.19 0.18 -0.69 -0.07 -0.69 0.00 0.00 178.15 176.69 1j12 h LEU 261 N 0.97 0.60 -0.45 1.44 3.38 -1.04 -1.90 115.31 118.31 1j12 h LEU 261 Ca 0.35 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1j12 h LEU 261 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1j12 h LEU 261 CO -0.12 1.12 -0.01 -0.33 0.09 0.00 0.00 178.44 179.19 1j12 h GLU 262 N 0.37 0.80 -0.39 1.13 5.08 -0.50 -0.87 114.58 120.20 1j12 h GLU 262 Ca -0.02 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 1j12 h GLU 262 Cb 1.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1j12 h GLU 262 CO 0.13 0.87 0.07 -0.91 -1.00 0.00 0.00 179.01 178.16 1j12 h ASN 263 N 0.65 0.61 -0.39 1.42 2.35 -1.08 -1.77 115.58 117.37 1j12 h ASN 263 Ca 0.13 -0.25 0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1j12 h ASN 263 Cb 0.51 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 1j12 h ASN 263 CO 0.03 0.71 0.07 -0.74 -1.65 0.00 0.00 177.43 175.85 1j12 h HIS 264 N 0.49 0.11 -0.29 1.19 2.76 -1.18 0.19 115.15 118.41 1j12 h HIS 264 Ca 0.12 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1j12 h HIS 264 Cb 0.36 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.28 1j12 h HIS 264 CO 0.02 0.00 -0.01 1.15 -1.30 0.00 0.00 177.93 177.79 1j12 h THR 265 N 0.19 0.77 -0.65 6.26 2.02 -0.92 -0.03 112.91 120.55 1j12 h THR 265 Ca 0.19 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1j12 h THR 265 Cb 0.22 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1j12 h THR 265 CO -0.25 0.01 0.32 0.11 0.37 0.00 0.00 175.52 176.08 1j12 h LYS 266 N 0.07 0.92 0.50 6.66 1.57 -0.48 -1.61 116.57 124.20 1j12 h LYS 266 Ca 0.14 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1j12 h LYS 266 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1j12 h LYS 266 CO -0.25 0.71 -0.24 1.25 -0.57 0.00 0.00 179.45 180.34 1j12 h LEU 267 N 0.92 -0.57 -2.44 2.94 5.85 0.30 -2.26 115.31 120.05 1j12 h LEU 267 Ca 0.23 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1j12 h LEU 267 Cb 0.08 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1j12 h LEU 267 CO -0.03 -0.23 -0.02 0.16 -0.34 0.00 0.00 178.44 177.99 1j12 h ILE 268 N -1.05 0.48 -0.20 4.05 3.07 -1.09 -1.26 117.51 121.52 1j12 h ILE 268 Ca -0.07 -0.08 -0.20 0.00 1.55 0.00 0.00 64.86 66.06 1j12 h ILE 268 Cb 0.52 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 1j12 h ILE 268 CO 0.11 0.02 -0.67 1.23 -1.05 0.00 0.00 178.15 177.79 1j12 h GLY 269 N 0.13 0.83 1.53 0.16 0.00 -1.31 -1.10 103.07 103.31 1j12 h GLY 269 Ca -0.00 -1.08 -0.18 0.00 0.00 0.00 0.00 47.33 46.07 1j12 h GLY 269 CO 0.00 0.96 -0.68 1.05 0.00 0.00 0.00 176.54 177.88 1j12 h GLU 270 N 0.55 0.48 -0.45 4.80 4.11 -0.63 -1.73 114.58 121.71 1j12 h GLU 270 Ca -0.02 -0.36 -0.09 0.00 0.07 0.00 0.00 59.36 58.96 1j12 h GLU 270 Cb 1.28 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1j12 h GLU 270 CO 0.14 0.99 -0.07 -0.07 0.07 0.00 0.00 179.01 180.06 1j12 h LEU 271 N 0.34 0.84 -0.16 3.06 3.38 -1.35 -2.03 115.31 119.38 1j12 h LEU 271 Ca -0.02 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1j12 h LEU 271 Cb 1.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1j12 h LEU 271 CO 0.12 0.98 0.01 0.00 0.09 0.00 0.00 178.44 179.65 1j12 h ALA 272 N 0.88 0.21 -0.73 1.53 0.00 -1.12 -1.51 119.26 118.52 1j12 h ALA 272 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1j12 h ALA 272 Cb 0.60 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1j12 h ALA 272 CO 0.04 -0.10 0.34 0.45 0.00 0.00 0.00 179.25 179.98 1j12 h HIS 273 N 0.04 1.06 -0.70 0.00 3.86 -1.32 0.12 115.15 118.21 1j12 h HIS 273 Ca 0.05 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1j12 h HIS 273 Cb 0.35 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1j12 h HIS 273 CO 0.03 0.78 0.19 -0.91 0.86 0.00 0.00 177.93 178.88 1j12 h ASN 274 N 1.03 1.03 -0.10 2.45 2.35 -1.33 -1.21 115.58 119.80 1j12 h ASN 274 Ca 0.25 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 1j12 h ASN 274 Cb 0.13 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.24 1j12 h ASN 274 CO -0.03 0.98 -0.59 0.00 -1.65 0.00 0.00 177.43 176.14 1j12 h ALA 275 N 1.15 0.20 0.00 -0.83 0.00 -0.80 -3.41 119.26 115.58 1j12 h ALA 275 Ca 0.22 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1j12 h ALA 275 Cb 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1j12 h ALA 275 CO -0.00 0.45 -1.94 1.19 0.00 0.00 0.00 179.25 178.95 1j12 n PHE 276 N -4.16 0.00 -0.18 0.00 3.01 0.39 -4.78 117.46 111.75 1j12 n PHE 276 Ca -0.08 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.37 1j12 n PHE 276 Cb 0.65 -0.58 0.09 0.00 -0.01 0.00 0.00 39.48 39.63 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 0.06 -0.25 4.37 5.19 -1.39 -0.71 116.42 123.70 1j12 h ASP 277 Ca -0.19 0.09 -0.11 0.00 -0.62 0.00 0.00 57.03 56.19 1j12 h ASP 277 Cb 1.33 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.95 1j12 h ASP 277 CO 0.01 0.05 -0.28 0.74 -3.12 0.00 0.00 179.24 176.65 1j12 h THR 278 N 0.29 1.31 0.09 0.35 2.02 -1.86 -2.22 112.91 112.90 1j12 h THR 278 Ca 0.28 -1.45 -0.25 0.00 0.77 0.00 0.00 66.41 65.75 1j12 h THR 278 Cb 0.37 1.67 0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1j12 h THR 278 CO -0.33 0.46 -1.04 0.74 0.37 0.00 0.00 175.52 175.72 1j12 h THR 279 N 0.35 1.35 0.00 3.16 2.02 -1.85 -3.40 112.91 114.53 1j12 h THR 279 Ca 0.04 -2.38 -0.29 0.00 0.77 0.00 0.00 66.41 64.55 1j12 h THR 279 Cb 0.85 2.74 -0.05 0.00 -1.74 0.00 0.00 68.15 69.94 1j12 h THR 279 CO 0.07 0.71 -2.08 0.49 0.37 0.00 0.00 175.52 175.08 1j12 n PHE 280 N -3.94 0.00 -3.47 3.16 3.01 -0.28 -5.00 117.46 110.94 1j12 n PHE 280 Ca -0.13 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.08 1j12 n PHE 280 Cb 0.89 -0.76 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 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 -2.73 -4.93 -4.21 -1.08 6.02 -0.83 -4.98 117.38 104.65 1j12 n GLN 281 Ca -0.28 0.67 -0.23 0.00 -0.01 0.00 0.00 57.00 57.14 1j12 n GLN 281 Cb 0.96 -5.51 -0.07 0.00 1.02 0.00 0.00 30.24 26.64 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 -3.15 3.18 0.46 5.09 -7.23 -1.26 -5.10 120.40 112.37 1j12 s VAL 282 Ca 0.48 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.61 1j12 s VAL 282 Cb -0.24 -2.92 -0.07 0.00 0.56 0.00 0.00 36.38 33.71 1j12 s VAL 282 CO 0.59 -0.26 1.20 -2.84 -0.31 0.00 0.00 175.10 173.48 1j12 s PRO 283 N -3.76 3.74 -0.06 4.82 0.02 -1.26 -4.88 135.00 133.61 1j12 s PRO 283 Ca 0.35 1.88 0.06 0.00 0.02 0.00 0.00 61.00 63.30 1j12 s PRO 283 Cb -0.04 -2.46 -0.01 0.00 0.02 0.00 0.00 34.50 32.01 1j12 s PRO 283 CO 0.21 -0.60 -0.24 0.42 -0.33 0.00 0.00 177.00 176.46 1j12 s ILE 284 N -1.47 2.13 0.23 2.83 1.01 -1.26 -1.85 121.20 122.83 1j12 s ILE 284 Ca 0.63 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1j12 s ILE 284 Cb -0.31 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1j12 s ILE 284 CO 0.38 0.57 0.09 -0.83 0.00 0.00 0.00 174.94 175.15 1j12 s GLY 285 N -0.17 1.60 0.14 6.18 0.00 -0.42 -0.74 107.32 113.91 1j12 s GLY 285 Ca -0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.86 1j12 s GLY 285 CO 0.04 -1.55 0.14 0.00 0.00 0.00 0.00 173.10 171.72 1j12 s ALA 286 N -3.80 0.52 0.05 3.20 0.00 -0.27 -1.62 121.76 119.84 1j12 s ALA 286 Ca 0.35 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1j12 s ALA 286 Cb 0.07 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1j12 s ALA 286 CO 0.12 -0.54 -0.22 0.15 0.00 0.00 0.00 175.76 175.26 1j12 s LYS 287 N -4.01 1.89 -0.14 0.00 1.02 -1.26 -1.18 119.74 116.06 1j12 s LYS 287 Ca 0.21 -1.07 -0.00 0.00 0.02 0.00 0.00 55.97 55.12 1j12 s LYS 287 Cb 0.06 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1j12 s LYS 287 CO 0.01 0.52 -0.12 0.42 -0.92 0.00 0.00 175.35 175.25 1j12 s ILE 288 N -0.90 3.06 0.43 2.17 1.01 -0.24 -0.44 121.20 126.29 1j12 s ILE 288 Ca 0.14 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 1j12 s ILE 288 Cb -0.10 -2.29 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 1j12 s ILE 288 CO 0.04 0.52 1.01 0.00 0.00 0.00 0.00 174.94 176.51 1j12 s ALA 289 N 0.44 3.02 -0.98 9.38 0.00 -1.26 -4.05 121.76 128.31 1j12 s ALA 289 Ca -0.09 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 1j12 s ALA 289 Cb -0.16 -3.23 0.15 0.00 0.00 0.00 0.00 23.12 19.88 1j12 s ALA 289 CO 0.05 -0.13 1.15 0.20 0.00 0.00 0.00 175.76 177.02 1j12 s GLY 290 N -1.84 2.13 -1.09 0.00 0.00 -1.26 -4.90 107.32 100.36 1j12 s GLY 290 Ca 0.61 -2.97 -0.16 0.00 0.00 0.00 0.00 44.72 42.20 1j12 s GLY 290 CO 0.21 1.92 1.32 0.14 0.00 0.00 0.00 173.10 176.69 1j12 s VAL 291 N 2.11 4.87 -0.61 1.40 1.01 -1.26 -4.84 120.40 123.08 1j12 s VAL 291 Ca 0.33 -2.16 0.24 0.00 0.00 0.00 0.00 61.98 60.39 1j12 s VAL 291 Cb -0.05 -4.87 0.09 0.00 0.00 0.00 0.00 36.38 31.55 1j12 s VAL 291 CO -0.08 -1.59 1.37 1.12 0.00 0.00 0.00 175.10 175.92 1j12 h HIS 292 N 7.89 0.00 -4.13 5.22 2.07 -1.93 -3.41 115.15 120.85 1j12 h HIS 292 Ca 0.25 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.30 1j12 h HIS 292 Cb 0.94 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.93 1j12 h HIS 292 CO 1.14 0.00 0.34 1.67 -3.07 0.00 0.00 177.93 178.01 1j12 s TRP 293 N -3.18 3.47 -2.00 6.12 -2.14 -1.26 -2.14 118.94 117.81 1j12 s TRP 293 Ca 0.06 1.39 0.00 0.00 2.66 0.00 0.00 56.10 60.21 1j12 s TRP 293 Cb 0.12 -2.73 0.00 0.00 -3.10 0.00 0.00 33.47 27.76 1j12 s TRP 293 CO 0.71 -0.36 0.00 1.04 -2.66 0.00 0.00 176.95 175.68 1j12 n GLN 294 N -1.64 -1.39 0.22 3.25 1.13 0.62 -4.14 117.38 115.43 1j12 n GLN 294 Ca 0.06 1.14 -0.14 0.00 -1.94 0.00 0.00 57.00 56.13 1j12 n GLN 294 Cb 0.54 -5.52 -0.08 0.00 0.11 0.00 0.00 30.24 25.30 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 -0.54 -0.82 1.08 3.20 -1.36 -0.62 116.97 117.91 1j12 h TYR 295 Ca -0.41 -0.01 -0.46 0.00 3.14 0.00 0.00 58.73 60.98 1j12 h TYR 295 Cb 1.29 0.18 -0.26 0.00 1.54 0.00 0.00 36.73 39.47 1j12 h TYR 295 CO 0.54 -0.21 0.43 0.27 -1.64 0.00 0.00 178.16 177.56 1j12 n ASN 296 N -5.22 4.17 -4.73 -2.11 6.94 -1.21 -2.59 115.26 110.51 1j12 n ASN 296 Ca -0.10 -3.70 -0.41 0.00 -0.02 0.00 0.00 54.58 50.35 1j12 n ASN 296 Cb 0.29 -0.79 -0.03 0.00 -2.36 0.00 0.00 39.78 36.90 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 -1.83 6.87 0.18 0.53 3.84 -1.24 -4.92 114.94 118.37 1j12 s ASN 297 Ca 0.55 2.40 -0.01 0.00 0.21 0.00 0.00 52.86 56.01 1j12 s ASN 297 Cb 0.46 -2.61 0.07 0.00 -0.55 0.00 0.00 41.25 38.63 1j12 s ASN 297 CO 0.06 -0.56 1.45 1.55 -2.79 0.00 0.00 177.10 176.81 1j12 h PRO 298 N 5.58 0.42 0.05 0.43 0.13 -1.94 -3.18 132.00 133.48 1j12 h PRO 298 Ca -0.44 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1j12 h PRO 298 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1j12 h PRO 298 CO 0.79 0.96 -0.03 1.15 -0.23 0.00 0.00 178.00 180.64 1j12 h THR 299 N 0.29 0.95 -3.36 1.56 2.02 -1.97 -3.41 112.91 109.00 1j12 h THR 299 Ca -0.02 -1.54 -0.66 0.00 0.77 0.00 0.00 66.41 64.95 1j12 h THR 299 Cb 1.27 1.74 -0.39 0.00 -1.74 0.00 0.00 68.15 69.03 1j12 h THR 299 CO 0.12 0.30 -0.49 0.27 0.37 0.00 0.00 175.52 176.09 1j12 s ILE 300 N -2.43 3.15 -0.09 3.11 -4.36 -1.26 -4.36 121.20 114.97 1j12 s ILE 300 Ca -0.11 -3.50 -0.29 0.00 -0.26 0.00 0.00 60.65 56.49 1j12 s ILE 300 Cb -0.01 -3.09 -0.07 0.00 1.25 0.00 0.00 42.46 40.54 1j12 s ILE 300 CO 0.42 -0.90 2.07 -2.84 0.24 0.00 0.00 174.94 173.93 1j12 s PRO 301 N -0.60 3.67 -1.17 0.37 0.02 -1.20 -2.18 135.00 133.91 1j12 s PRO 301 Ca 0.20 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 63.49 1j12 s PRO 301 Cb -0.18 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 30.09 1j12 s PRO 301 CO -0.06 -1.49 1.00 0.72 -0.33 0.00 0.00 177.00 176.84 1j12 n HIS 302 N 9.44 -2.30 0.88 6.54 8.25 -0.30 -4.88 115.22 132.85 1j12 n HIS 302 Ca 0.24 0.90 0.07 0.00 -0.26 0.00 0.00 57.72 58.67 1j12 n HIS 302 Cb 0.43 -4.78 0.42 0.00 1.12 0.00 0.00 29.99 27.18 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 -1.47 -0.48 0.03 -1.41 0.00 -0.83 -2.48 105.19 98.56 1j12 n GLY 303 Ca -0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.02 1.86 -0.07 4.61 0.00 -1.26 -1.00 120.51 123.64 1j12 n ALA 304 Ca 0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 1j12 n ALA 304 Cb 0.05 0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 0.59 -0.17 0.00 5.08 -1.75 -3.18 114.58 115.16 1j12 h GLU 305 Ca -0.15 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1j12 h GLU 305 Cb 1.30 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1j12 h GLU 305 CO -0.00 0.97 0.11 0.87 -1.00 0.00 0.00 179.01 179.96 1j12 h LYS 306 N 0.27 0.22 0.00 2.33 1.57 -1.57 -0.47 116.57 118.92 1j12 h LYS 306 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1j12 h LYS 306 Cb 0.93 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1j12 h LYS 306 CO 0.08 0.15 -0.02 -1.35 -0.57 0.00 0.00 179.45 177.73 1j12 h PRO 307 N 0.22 0.00 -0.00 3.15 0.11 -1.82 -0.16 132.00 133.50 1j12 h PRO 307 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1j12 h PRO 307 Cb -0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1j12 h PRO 307 CO -0.01 0.02 -0.12 0.00 -0.21 0.00 0.00 178.00 177.68 1j12 n ALA 308 N -2.13 2.66 0.00 -0.75 0.00 -0.89 -4.54 120.51 114.85 1j12 n ALA 308 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1j12 n ALA 308 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1j12 n ALA 308 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j12 n GLY 309 N 1.46 0.60 3.38 0.00 0.00 -0.07 -1.80 105.19 108.75 1j12 n GLY 309 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 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 3.52 -0.27 1.61 2.02 -0.23 -4.45 117.35 117.54 1j12 s TYR 310 Ca 0.00 -1.78 -0.11 0.00 -0.37 0.00 0.00 57.07 54.81 1j12 s TYR 310 Cb 0.00 -4.01 -0.12 0.00 -0.40 0.00 0.00 41.96 37.42 1j12 s TYR 310 CO 0.00 -1.20 -0.33 -1.71 -1.57 0.00 0.00 175.55 170.74 1j12 n ASN 311 N 4.99 1.91 -3.85 2.29 4.05 -1.26 -3.76 115.26 119.63 1j12 n ASN 311 Ca 0.19 0.26 -0.30 0.00 0.45 0.00 0.00 54.58 55.18 1j12 n ASN 311 Cb 0.48 -0.74 -0.15 0.00 1.23 0.00 0.00 39.78 40.60 1j12 n ASN 311 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1j12 s ASP 312 N -7.29 4.26 0.26 1.20 -1.08 -1.26 -5.00 116.67 107.75 1j12 s ASP 312 Ca -0.37 -2.11 -0.04 0.00 -0.52 0.00 0.00 52.55 49.51 1j12 s ASP 312 Cb 0.14 -1.24 0.36 0.00 -1.46 0.00 0.00 42.92 40.72 1j12 s ASP 312 CO 0.49 -0.36 1.88 1.88 0.52 0.00 0.00 175.17 179.58 1j12 h TYR 313 N 7.55 1.16 -0.48 -5.34 -1.99 -1.97 -0.35 116.97 115.54 1j12 h TYR 313 Ca -0.08 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1j12 h TYR 313 Cb 0.99 -0.38 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 1j12 h TYR 313 CO 0.43 0.62 0.31 1.03 -0.00 0.00 0.00 178.16 180.54 1j12 h SER 314 N 1.15 0.56 -0.06 3.88 0.87 -1.99 0.12 113.55 118.08 1j12 h SER 314 Ca 0.41 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.81 1j12 h SER 314 Cb 0.11 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1j12 h SER 314 CO -0.16 0.42 -0.36 -0.74 -0.53 0.00 0.00 176.83 175.47 1j12 h HIS 315 N 0.64 0.66 -0.59 2.24 6.17 -1.86 -2.50 115.15 119.91 1j12 h HIS 315 Ca 0.17 -0.18 -0.08 0.00 0.71 0.00 0.00 60.37 60.99 1j12 h HIS 315 Cb -0.05 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 29.71 1j12 h HIS 315 CO -0.04 0.84 0.04 1.25 0.71 0.00 0.00 177.93 180.73 1j12 h LEU 316 N 0.47 0.95 -0.87 0.26 5.85 -0.47 -2.76 115.31 118.74 1j12 h LEU 316 Ca 0.05 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 1j12 h LEU 316 Cb 0.84 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1j12 h LEU 316 CO 0.07 0.99 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.64 1j12 h LEU 317 N 0.92 0.00 -1.46 2.25 3.38 -0.60 -2.69 115.31 117.11 1j12 h LEU 317 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1j12 h LEU 317 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1j12 h LEU 317 CO 0.02 0.45 0.08 0.44 0.09 0.00 0.00 178.44 179.52 1j12 h ASP 318 N 0.00 0.40 -0.38 -0.43 3.32 -1.15 -1.62 116.42 116.56 1j12 h ASP 318 Ca -0.00 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 1j12 h ASP 318 Cb 0.96 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1j12 h ASP 318 CO 0.06 0.40 -0.09 0.00 -1.72 0.00 0.00 179.24 177.89 1j12 h ALA 319 N 1.66 0.99 -0.44 3.45 0.00 -1.41 -1.51 119.26 121.99 1j12 h ALA 319 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1j12 h ALA 319 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1j12 h ALA 319 CO -0.00 0.61 -0.14 0.74 0.00 0.00 0.00 179.25 180.45 1j12 h PHE 320 N 0.74 0.98 -0.41 0.00 -1.00 -1.39 -1.73 116.94 114.13 1j12 h PHE 320 Ca 0.13 -0.22 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 1j12 h PHE 320 Cb 0.57 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 1j12 h PHE 320 CO 0.03 0.98 0.25 -0.22 -1.61 0.00 0.00 178.31 177.74 1j12 h LYS 321 N 0.69 0.56 -0.37 1.51 3.11 -1.08 -0.65 116.57 120.34 1j12 h LYS 321 Ca 0.11 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.86 1j12 h LYS 321 Cb 0.69 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 1j12 h LYS 321 CO 0.05 0.42 0.10 0.77 -2.81 0.00 0.00 179.45 177.98 1j12 h SER 322 N 0.54 0.56 0.41 4.20 0.02 -1.21 -2.50 113.55 115.57 1j12 h SER 322 Ca 0.15 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1j12 h SER 322 Cb 0.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1j12 h SER 322 CO -0.03 0.64 0.00 0.00 -1.14 0.00 0.00 176.83 176.31 1j12 n ALA 323 N -2.34 1.82 -3.44 3.77 0.00 -0.66 -4.88 120.51 114.79 1j12 n ALA 323 Ca -0.01 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1j12 n ALA 323 Cb 0.20 -1.26 0.09 0.00 0.00 0.00 0.00 19.45 18.47 1j12 n ALA 323 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j12 n LYS 324 N -1.38 -6.75 -5.09 0.00 5.02 -0.48 -4.69 118.16 104.79 1j12 n LYS 324 Ca 0.06 0.84 -0.32 0.00 -2.02 0.00 0.00 58.31 56.87 1j12 n LYS 324 Cb 0.15 -5.83 -0.15 0.00 -0.02 0.00 0.00 35.03 29.18 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 -6.44 2.39 0.47 -0.35 1.43 -0.37 -4.70 118.68 111.10 1j12 s LEU 325 Ca 0.08 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1j12 s LEU 325 Cb -0.04 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.64 1j12 s LEU 325 CO 0.72 0.31 0.97 -1.81 0.23 0.00 0.00 176.35 176.77 1j12 s ASP 326 N -0.54 6.77 -0.01 2.29 1.11 0.08 -4.52 116.67 121.84 1j12 s ASP 326 Ca 0.07 1.65 0.05 0.00 0.18 0.00 0.00 52.55 54.50 1j12 s ASP 326 Cb -0.11 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1j12 s ASP 326 CO 0.01 -0.48 -0.15 0.54 1.18 0.00 0.00 175.17 176.26 1j12 s VAL 327 N -2.36 2.99 -0.07 -1.27 0.11 -0.94 -1.12 120.40 117.74 1j12 s VAL 327 Ca 0.61 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 1j12 s VAL 327 Cb -0.10 -2.21 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1j12 s VAL 327 CO 0.21 0.48 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.34 1j12 s THR 328 N -0.82 2.21 0.22 5.04 2.01 -0.33 -1.53 115.64 122.44 1j12 s THR 328 Ca 0.13 -1.00 0.11 0.00 0.31 0.00 0.00 61.69 61.25 1j12 s THR 328 Cb -0.11 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1j12 s THR 328 CO 0.03 0.56 -0.22 0.12 -0.69 0.00 0.00 174.62 174.43 1j12 s PHE 329 N -0.03 2.22 0.06 4.92 5.36 -0.07 -1.08 117.98 129.35 1j12 s PHE 329 Ca -0.07 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 1j12 s PHE 329 Cb -0.15 -1.05 0.00 0.00 -0.34 0.00 0.00 43.02 41.48 1j12 s PHE 329 CO 0.05 0.54 0.04 0.25 -1.46 0.00 0.00 175.22 174.64 1j12 n THR 330 N -0.02 0.00 -1.49 0.12 -2.24 -1.26 -1.48 114.28 107.91 1j12 n THR 330 Ca -0.10 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1j12 n THR 330 Cb 0.57 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1j12 n THR 330 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j12 h LEU 332 N 0.00 0.00 -0.51 0.00 3.38 -1.87 -2.77 115.31 113.54 1j12 h LEU 332 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1j12 h LEU 332 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1j12 h LEU 332 CO 0.34 0.04 0.00 1.05 0.09 0.00 0.00 178.44 179.96 1j12 h GLU 333 N 0.00 0.00 -6.98 1.13 9.09 -1.84 -3.30 114.58 112.69 1j12 h GLU 333 Ca -0.00 0.00 -0.46 0.00 0.05 0.00 0.00 59.36 58.95 1j12 h GLU 333 Cb 0.08 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.23 1j12 h GLU 333 CO 0.00 0.00 0.06 -1.64 0.05 0.00 0.00 179.01 177.49 1j12 s MET 334 N -3.37 2.70 0.21 1.06 -1.94 -1.05 -4.70 119.30 112.21 1j12 s MET 334 Ca 0.05 -0.39 0.05 0.00 -1.71 0.00 0.00 55.69 53.69 1j12 s MET 334 Cb 0.06 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 1j12 s MET 334 CO 0.62 -0.71 -0.07 -0.08 -0.01 0.00 0.00 175.02 174.77 1j12 s THR 335 N -2.87 1.31 0.53 2.05 -1.32 -1.26 -4.17 115.64 109.90 1j12 s THR 335 Ca 0.55 -2.09 -0.21 0.00 -1.21 0.00 0.00 61.69 58.73 1j12 s THR 335 Cb -0.10 -2.17 -0.05 0.00 -1.51 0.00 0.00 72.50 68.66 1j12 s THR 335 CO 0.41 -0.48 1.23 -1.81 -2.21 0.00 0.00 174.62 171.76 1j12 s ASP 336 N -3.29 5.59 0.10 8.08 1.01 -1.26 -4.36 116.67 122.53 1j12 s ASP 336 Ca 0.24 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.94 1j12 s ASP 336 Cb 0.03 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1j12 s ASP 336 CO 0.07 -1.32 0.00 0.29 0.21 0.00 0.00 175.17 174.41 1j12 n LYS 337 N -1.04 0.00 -2.47 8.23 5.02 0.48 -4.98 118.16 123.40 1j12 n LYS 337 Ca 0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 1j12 n LYS 337 Cb 0.48 -0.23 -0.01 0.00 -0.02 0.00 0.00 35.03 35.26 1j12 n LYS 337 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j12 n GLY 338 N 2.28 -0.50 3.48 0.72 0.00 0.14 -4.86 105.19 106.45 1j12 n GLY 338 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.06 3.60 0.52 1.61 1.04 -1.26 -4.70 113.70 112.46 1j12 s SER 339 Ca 0.02 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.17 1j12 s SER 339 Cb -0.01 -0.31 -0.06 0.00 0.10 0.00 0.00 66.02 65.75 1j12 s SER 339 CO 0.02 0.01 1.33 -0.47 0.98 0.00 0.00 173.24 175.11 1j12 s TYR 340 N -2.52 2.40 -0.84 5.02 5.04 -1.26 0.07 117.35 125.26 1j12 s TYR 340 Ca 0.30 1.39 0.24 0.00 -2.44 0.00 0.00 57.07 56.57 1j12 s TYR 340 Cb -0.04 -3.74 0.39 0.00 0.35 0.00 0.00 41.96 38.92 1j12 s TYR 340 CO 0.15 -2.66 1.33 -0.35 -1.34 0.00 0.00 175.55 172.69 1j12 n PRO 341 N -0.85 0.13 -0.05 4.97 -0.04 -1.26 -4.83 135.00 133.07 1j12 n PRO 341 Ca 0.09 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 1j12 n PRO 341 Cb 0.45 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1j12 n PRO 341 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1j12 h GLU 342 N 0.00 0.84 -6.03 0.54 3.07 -1.84 -3.47 114.58 107.69 1j12 h GLU 342 Ca 0.00 -0.62 -0.41 0.00 -0.50 0.00 0.00 59.36 57.83 1j12 h GLU 342 Cb 0.61 0.11 0.06 0.00 -0.84 0.00 0.00 28.75 28.69 1j12 h GLU 342 CO 0.00 1.23 -0.78 0.66 -1.40 0.00 0.00 179.01 178.73 1j12 n TYR 343 N -3.97 -2.22 -2.92 4.33 4.02 0.11 -0.27 117.16 116.24 1j12 n TYR 343 Ca -0.06 0.90 -0.42 0.00 -0.01 0.00 0.00 57.90 58.31 1j12 n TYR 343 Cb 0.70 -4.51 -0.05 0.00 -0.02 0.00 0.00 39.34 35.46 1j12 n TYR 343 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1j12 s SER 344 N -3.92 6.61 -0.57 7.72 0.15 -1.26 -1.51 113.70 120.92 1j12 s SER 344 Ca 0.27 0.48 0.06 0.00 0.70 0.00 0.00 55.95 57.46 1j12 s SER 344 Cb -0.13 -2.42 0.32 0.00 -1.71 0.00 0.00 66.02 62.09 1j12 s SER 344 CO 0.79 -0.74 0.88 0.23 1.20 0.00 0.00 173.24 175.60 1j12 n MET 345 N 6.46 2.87 0.19 5.44 2.81 -0.91 0.28 117.12 134.26 1j12 n MET 345 Ca 0.04 -4.67 -0.15 0.00 -1.81 0.00 0.00 57.70 51.11 1j12 n MET 345 Cb 0.48 -2.18 -0.07 0.00 -0.71 0.00 0.00 33.22 30.74 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 3.24 -0.66 -0.40 0.03 0.11 -1.79 -2.56 132.00 129.97 1j12 h PRO 346 Ca 0.14 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1j12 h PRO 346 Cb 0.58 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 1j12 h PRO 346 CO 0.79 -0.44 0.26 -0.22 -0.21 0.00 0.00 178.00 178.18 1j12 h LYS 347 N -0.68 0.53 -0.34 1.05 3.64 -1.79 -2.30 116.57 116.68 1j12 h LYS 347 Ca -0.01 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1j12 h LYS 347 Cb 0.64 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1j12 h LYS 347 CO -0.10 0.35 -0.28 1.15 -2.27 0.00 0.00 179.45 178.30 1j12 h THR 348 N 0.54 1.29 0.46 1.00 2.02 -1.92 -2.61 112.91 113.69 1j12 h THR 348 Ca 0.15 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1j12 h THR 348 Cb -0.06 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1j12 h THR 348 CO -0.03 0.47 -0.33 0.25 0.37 0.00 0.00 175.52 176.25 1j12 h LEU 349 N 0.57 -0.85 -0.55 2.58 6.46 -1.02 -1.72 115.31 120.78 1j12 h LEU 349 Ca 0.06 0.06 0.11 0.00 -0.12 0.00 0.00 57.88 57.99 1j12 h LEU 349 Cb 0.86 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 40.96 1j12 h LEU 349 CO 0.07 -0.50 -0.00 0.58 -0.62 0.00 0.00 178.44 177.98 1j12 h VAL 350 N -0.77 0.56 -0.67 1.05 2.07 -1.45 0.84 116.25 117.88 1j12 h VAL 350 Ca -0.05 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1j12 h VAL 350 Cb 0.65 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1j12 h VAL 350 CO 0.02 0.02 0.44 1.56 0.02 0.00 0.00 177.57 179.63 1j12 h GLN 351 N 0.12 0.89 0.28 1.57 4.20 -1.31 0.44 115.11 121.30 1j12 h GLN 351 Ca 0.28 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1j12 h GLN 351 Cb 0.43 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1j12 h GLN 351 CO -0.46 0.60 -0.13 -0.91 -0.67 0.00 0.00 178.83 177.25 1j12 h ASN 352 N 0.91 -0.32 -0.05 1.46 -0.26 0.06 -1.60 115.58 115.79 1j12 h ASN 352 Ca 0.25 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1j12 h ASN 352 Cb -0.09 0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1j12 h ASN 352 CO -0.05 -0.06 0.02 0.40 -1.06 0.00 0.00 177.43 176.68 1j12 h ILE 353 N -0.58 1.00 -0.84 2.81 1.08 -0.92 -2.14 117.51 117.91 1j12 h ILE 353 Ca -0.04 -0.02 0.12 0.00 -0.39 0.00 0.00 64.86 64.54 1j12 h ILE 353 Cb 0.42 0.95 -0.08 0.00 -3.07 0.00 0.00 36.82 35.04 1j12 h ILE 353 CO 0.06 0.01 0.46 0.00 -0.69 0.00 0.00 178.15 177.99 1j12 h ALA 354 N 1.02 1.24 0.41 1.87 0.00 -0.91 0.16 119.26 123.06 1j12 h ALA 354 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1j12 h ALA 354 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1j12 h ALA 354 CO -0.01 0.00 -0.20 1.15 0.00 0.00 0.00 179.25 180.20 1j12 h THR 355 N 0.71 0.60 -0.33 0.00 2.02 -0.97 -1.12 112.91 113.83 1j12 h THR 355 Ca 0.43 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.53 1j12 h THR 355 Cb 0.52 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1j12 h THR 355 CO -0.31 0.02 0.10 -0.07 0.37 0.00 0.00 175.52 175.64 1j12 h LEU 356 N -0.62 0.09 0.06 2.58 3.38 -0.70 0.13 115.31 120.22 1j12 h LEU 356 Ca -0.06 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1j12 h LEU 356 Cb 0.46 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1j12 h LEU 356 CO 0.09 0.09 -0.13 0.00 0.09 0.00 0.00 178.44 178.58 1j12 h ALA 357 N 1.22 -0.20 -0.15 1.53 0.00 -0.65 0.84 119.26 121.85 1j12 h ALA 357 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1j12 h ALA 357 Cb 0.14 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1j12 h ALA 357 CO -0.17 -0.64 -0.16 -0.91 0.00 0.00 0.00 179.25 177.37 1j12 h ASN 358 N -0.25 0.24 -0.47 0.00 2.35 -0.92 0.84 115.58 117.36 1j12 h ASN 358 Ca 0.03 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1j12 h ASN 358 Cb 0.28 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1j12 h ASN 358 CO -0.09 0.42 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.77 1j12 h GLU 359 N 0.23 0.83 -0.00 0.81 5.08 -0.08 -2.78 114.58 118.67 1j12 h GLU 359 Ca 0.05 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1j12 h GLU 359 Cb 0.43 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1j12 h GLU 359 CO 0.03 0.88 -0.04 1.63 -1.00 0.00 0.00 179.01 180.51 1j12 n LYS 360 N -4.35 0.31 -2.63 2.33 5.02 0.23 -4.92 118.16 114.14 1j12 n LYS 360 Ca 0.00 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 1j12 n LYS 360 Cb 0.31 -1.50 0.02 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 1.36 0.26 3.80 0.72 0.00 -0.17 -5.03 105.19 106.13 1j12 n GLY 361 Ca 0.12 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.85 5.42 0.01 -0.61 1.01 0.11 -5.02 121.20 119.28 1j12 s ILE 362 Ca 0.14 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 1j12 s ILE 362 Cb -0.06 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 1j12 s ILE 362 CO 0.17 0.53 1.39 -0.69 0.00 0.00 0.00 174.94 176.35 1j12 s VAL 363 N -0.31 3.68 -0.08 2.92 1.01 -1.26 -4.35 120.40 122.01 1j12 s VAL 363 Ca 0.11 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 1j12 s VAL 363 Cb -0.12 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1j12 s VAL 363 CO 0.01 0.01 -0.03 -0.22 0.00 0.00 0.00 175.10 174.87 1j12 s LEU 364 N 2.23 3.38 0.11 3.92 2.96 -1.26 -2.21 118.68 127.81 1j12 s LEU 364 Ca 0.64 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 1j12 s LEU 364 Cb -0.32 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1j12 s LEU 364 CO 0.27 0.37 -0.09 0.20 -1.32 0.00 0.00 176.35 175.77 1j12 s ASN 365 N -0.82 1.43 0.15 3.68 -0.87 -0.58 0.13 114.94 118.06 1j12 s ASN 365 Ca 0.12 -0.90 0.01 0.00 -1.57 0.00 0.00 52.86 50.52 1j12 s ASN 365 Cb -0.11 0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.10 1j12 s ASN 365 CO 0.02 -0.33 0.02 -0.83 -2.57 0.00 0.00 177.10 173.41 1j12 s GLY 366 N -2.73 1.11 0.18 0.66 0.00 -0.37 -0.90 107.32 105.27 1j12 s GLY 366 Ca 0.09 -1.53 -0.06 0.00 0.00 0.00 0.00 44.72 43.22 1j12 s GLY 366 CO -0.01 -1.46 0.23 -0.54 0.00 0.00 0.00 173.10 171.32 1j12 s GLU 367 N -3.96 1.19 0.06 2.90 2.02 -0.55 -0.97 118.70 119.40 1j12 s GLU 367 Ca 0.23 -1.36 -0.05 0.00 0.02 0.00 0.00 54.97 53.81 1j12 s GLU 367 Cb 0.07 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.58 1j12 s GLU 367 CO 0.03 -0.42 0.31 0.54 0.02 0.00 0.00 175.26 175.73 1j12 s ASN 368 N -3.04 6.49 -0.06 -0.19 4.22 -1.24 -2.48 114.94 118.64 1j12 s ASN 368 Ca 0.25 0.55 -0.20 0.00 -2.14 0.00 0.00 52.86 51.32 1j12 s ASN 368 Cb 0.04 -2.08 -0.15 0.00 1.28 0.00 0.00 41.25 40.34 1j12 s ASN 368 CO 0.05 0.17 0.80 0.00 -2.04 0.00 0.00 177.10 176.08 1j12 h ALA 369 N 3.46 -0.20 -1.86 3.54 0.00 -1.91 -3.43 119.26 118.86 1j12 h ALA 369 Ca -0.48 -0.23 -0.57 0.00 0.00 0.00 0.00 54.91 53.63 1j12 h ALA 369 Cb 1.18 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1j12 h ALA 369 CO 0.70 -0.26 -0.58 -0.51 0.00 0.00 0.00 179.25 178.60 1j12 s LEU 370 N -8.90 3.09 0.16 0.00 1.43 -1.26 -5.02 118.68 108.17 1j12 s LEU 370 Ca -0.12 -0.93 -0.31 0.00 -1.03 0.00 0.00 54.13 51.73 1j12 s LEU 370 Cb 0.00 -1.48 -0.11 0.00 0.03 0.00 0.00 46.19 44.63 1j12 s LEU 370 CO 0.45 -0.30 1.81 -0.44 0.23 0.00 0.00 176.35 178.10 1j12 s SER 371 N -3.78 6.39 -0.14 2.29 0.01 -1.26 -4.94 113.70 112.27 1j12 s SER 371 Ca 0.36 2.82 -0.21 0.00 1.31 0.00 0.00 55.95 60.24 1j12 s SER 371 Cb -0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1j12 s SER 371 CO 0.21 -1.01 0.60 -0.63 0.41 0.00 0.00 173.24 172.82 1j12 s ILE 372 N 2.23 5.08 0.00 1.44 1.01 -1.26 -4.92 121.20 124.78 1j12 s ILE 372 Ca 0.79 1.18 0.00 0.00 0.00 0.00 0.00 60.65 62.63 1j12 s ILE 372 Cb -0.48 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1j12 s ILE 372 CO 0.35 0.21 0.89 0.61 0.00 0.00 0.00 174.94 177.01 1j12 n GLY 373 N 3.45 1.96 2.92 6.18 0.00 -1.26 -4.98 105.19 113.45 1j12 n GLY 373 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.79 -0.03 0.49 1.61 3.84 -1.26 -5.04 114.94 113.77 1j12 s ASN 374 Ca 0.00 0.06 0.32 0.00 0.21 0.00 0.00 52.86 53.45 1j12 s ASN 374 Cb 0.00 0.09 1.40 0.00 -0.55 0.00 0.00 41.25 42.19 1j12 s ASN 374 CO 0.00 -0.03 1.96 1.05 -2.79 0.00 0.00 177.10 177.29 1j12 h GLU 375 N 6.00 0.00 -0.77 0.43 4.11 -1.98 -2.44 114.58 119.94 1j12 h GLU 375 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.17 1j12 h GLU 375 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1j12 h GLU 375 CO 0.48 0.00 0.43 0.93 0.07 0.00 0.00 179.01 180.92 1j12 h GLU 376 N 0.00 1.05 -0.33 1.06 4.39 -1.99 -0.44 114.58 118.32 1j12 h GLU 376 Ca 0.00 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1j12 h GLU 376 Cb 0.40 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1j12 h GLU 376 CO 0.00 0.76 -0.35 0.93 -1.16 0.00 0.00 179.01 179.19 1j12 h GLU 377 N 1.07 0.74 -0.82 2.33 5.08 -1.76 -2.49 114.58 118.74 1j12 h GLU 377 Ca 0.27 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1j12 h GLU 377 Cb 0.00 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1j12 h GLU 377 CO -0.05 0.98 0.45 1.88 -1.00 0.00 0.00 179.01 181.27 1j12 h TYR 378 N 0.62 1.11 -0.54 4.33 0.05 -1.29 -1.78 116.97 119.47 1j12 h TYR 378 Ca 0.06 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1j12 h TYR 378 Cb 0.88 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 1j12 h TYR 378 CO 0.05 0.77 0.12 0.87 -1.05 0.00 0.00 178.16 178.91 1j12 h LYS 379 N 1.14 0.84 -0.42 4.88 1.57 -0.84 -0.83 116.57 122.91 1j12 h LYS 379 Ca 0.29 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1j12 h LYS 379 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1j12 h LYS 379 CO -0.05 0.76 0.01 0.00 -0.57 0.00 0.00 179.45 179.61 1j12 h ARG 380 N 0.80 0.73 -0.69 3.15 3.08 -0.91 -1.77 114.38 118.76 1j12 h ARG 380 Ca 0.17 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1j12 h ARG 380 Cb 0.32 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1j12 h ARG 380 CO 0.00 0.81 0.35 0.28 -1.07 0.00 0.00 179.97 180.34 1j12 h VAL 381 N 0.57 1.23 -0.45 2.04 2.07 -1.07 -2.61 116.25 118.02 1j12 h VAL 381 Ca 0.12 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1j12 h VAL 381 Cb 0.47 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1j12 h VAL 381 CO 0.02 0.26 0.21 0.00 0.02 0.00 0.00 177.57 178.08 1j12 h ALA 382 N 1.17 0.56 -0.73 1.67 0.00 -0.92 0.10 119.26 121.11 1j12 h ALA 382 Ca 0.24 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1j12 h ALA 382 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j12 h ALA 382 CO -0.03 -0.15 0.47 1.49 0.00 0.00 0.00 179.25 181.02 1j12 h GLU 383 N 0.42 0.91 0.14 0.00 4.81 -0.97 -1.58 114.58 118.32 1j12 h GLU 383 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1j12 h GLU 383 Cb 0.13 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1j12 h GLU 383 CO -0.15 0.60 -0.07 0.52 -0.73 0.00 0.00 179.01 179.18 1j12 h MET 384 N 0.94 -0.19 -0.46 1.92 2.86 -1.13 -3.03 114.93 115.84 1j12 h MET 384 Ca 0.28 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.97 1j12 h MET 384 Cb -0.04 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1j12 h MET 384 CO -0.09 0.26 0.24 0.00 1.06 0.00 0.00 176.91 178.38 1j12 h ALA 385 N -0.08 0.58 -0.01 6.32 0.00 -0.75 0.57 119.26 125.90 1j12 h ALA 385 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j12 h ALA 385 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j12 h ALA 385 CO 0.03 -0.10 -0.06 1.19 0.00 0.00 0.00 179.25 180.31 1j12 n PHE 386 N -4.89 0.00 -0.01 0.00 0.99 -0.60 -2.39 117.46 110.57 1j12 n PHE 386 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1j12 n PHE 386 Cb 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 39.48 38.50 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 -0.55 4.36 -1.64 4.37 3.02 -1.09 -4.01 115.26 119.71 1j12 n ASN 387 Ca 0.18 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.78 1j12 n ASN 387 Cb 0.27 0.84 0.35 0.00 -0.61 0.00 0.00 39.78 40.63 1j12 n ASN 387 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1j12 n TYR 388 N -1.85 1.84 -3.41 3.10 4.02 0.17 -2.64 117.16 118.38 1j12 n TYR 388 Ca -0.02 -0.88 -0.23 0.00 -0.01 0.00 0.00 57.90 56.76 1j12 n TYR 388 Cb 0.34 -0.50 0.07 0.00 -0.02 0.00 0.00 39.34 39.22 1j12 n TYR 388 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1j12 n ASN 389 N 0.14 -6.27 -4.75 7.72 5.15 -1.25 -4.90 115.26 111.11 1j12 n ASN 389 Ca 0.29 -0.46 -0.41 0.00 -0.60 0.00 0.00 54.58 53.40 1j12 n ASN 389 Cb 1.16 -4.95 -0.04 0.00 -0.53 0.00 0.00 39.78 35.42 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 -3.27 3.51 -0.64 1.20 0.40 -1.00 -4.66 117.98 113.51 1j12 s PHE 390 Ca 0.50 1.56 0.25 0.00 -0.60 0.00 0.00 56.93 58.64 1j12 s PHE 390 Cb -0.22 -3.35 0.51 0.00 0.51 0.00 0.00 43.02 40.47 1j12 s PHE 390 CO 0.62 -0.85 1.51 0.00 0.70 0.00 0.00 175.22 177.21 1j12 h ALA 391 N 4.66 0.78 -1.90 5.36 0.00 -0.64 -3.41 119.26 124.11 1j12 h ALA 391 Ca -0.45 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.59 1j12 h ALA 391 Cb 1.21 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 1j12 h ALA 391 CO 0.71 0.00 0.58 0.20 0.00 0.00 0.00 179.25 180.74 1j12 s GLY 392 N -3.71 -0.37 -0.05 0.00 0.00 -1.24 -2.38 107.32 99.58 1j12 s GLY 392 Ca 0.08 1.45 0.01 0.00 0.00 0.00 0.00 44.72 46.25 1j12 s GLY 392 CO 0.67 0.59 -0.04 -0.12 0.00 0.00 0.00 173.10 174.20 1j12 s PHE 393 N -2.37 0.77 -0.19 1.90 5.36 -0.78 -1.24 117.98 121.43 1j12 s PHE 393 Ca 0.04 -0.22 -0.05 0.00 -0.96 0.00 0.00 56.93 55.74 1j12 s PHE 393 Cb -0.01 -0.70 -0.02 0.00 -0.34 0.00 0.00 43.02 41.94 1j12 s PHE 393 CO -0.05 -0.22 -0.01 0.99 -1.46 0.00 0.00 175.22 174.48 1j12 s THR 394 N 1.04 3.95 -0.14 0.12 2.01 -0.14 -1.14 115.64 121.33 1j12 s THR 394 Ca -0.09 -0.32 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 1j12 s THR 394 Cb -0.14 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1j12 s THR 394 CO -0.01 0.44 0.52 -0.22 -0.69 0.00 0.00 174.62 174.66 1j12 s LEU 395 N 0.90 4.24 -0.23 4.42 2.96 -0.11 -3.68 118.68 127.18 1j12 s LEU 395 Ca 0.01 0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 54.68 1j12 s LEU 395 Cb -0.14 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 1j12 s LEU 395 CO 0.02 -0.08 0.02 -0.22 -1.32 0.00 0.00 176.35 174.77 1j12 s LEU 396 N 0.99 3.19 0.15 -0.68 0.20 -1.26 -0.76 118.68 120.50 1j12 s LEU 396 Ca 0.27 -0.29 -0.08 0.00 0.69 0.00 0.00 54.13 54.72 1j12 s LEU 396 Cb -0.15 -1.84 -0.01 0.00 -0.43 0.00 0.00 46.19 43.76 1j12 s LEU 396 CO 0.11 -0.02 0.24 -0.60 -0.29 0.00 0.00 176.35 175.79 1j12 s ARG 397 N 1.53 1.07 0.00 1.98 3.52 -1.26 -4.39 118.95 121.40 1j12 s ARG 397 Ca 0.06 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 1j12 s ARG 397 Cb -0.15 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 1j12 s ARG 397 CO 0.00 -0.37 0.04 0.98 -0.81 0.00 0.00 175.30 175.14 1j12 n TYR 398 N -0.17 0.00 0.21 5.12 9.36 0.37 -0.94 117.16 131.11 1j12 n TYR 398 Ca -0.09 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.30 1j12 n TYR 398 Cb 0.63 -0.01 0.70 0.00 -0.63 0.00 0.00 39.34 40.02 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 -0.27 2.98 -0.00 -1.96 -1.90 115.11 113.96 1j12 h GLN 399 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1j12 h GLN 399 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1j12 h GLN 399 CO 0.00 0.00 0.08 -0.44 -0.00 0.00 0.00 178.83 178.47 1j12 h ASP 400 N 0.00 0.40 0.15 0.06 3.32 -1.43 -3.10 116.42 115.82 1j12 h ASP 400 Ca 0.10 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 1j12 h ASP 400 Cb 1.08 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1j12 h ASP 400 CO -0.00 0.51 -2.00 1.33 -1.72 0.00 0.00 179.24 177.35 1j12 n VAL 401 N -4.72 0.68 0.22 -1.35 0.24 -1.09 -4.18 118.33 108.14 1j12 n VAL 401 Ca -0.03 -0.65 0.05 0.00 -2.04 0.00 0.00 64.34 61.67 1j12 n VAL 401 Cb 0.17 -0.28 0.52 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.03 -0.22 7.34 -1.53 -1.42 -2.81 114.93 116.32 1j12 h MET 402 Ca -0.21 -0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 55.91 1j12 h MET 402 Cb 1.51 -0.00 -0.09 0.00 -0.55 0.00 0.00 31.60 32.47 1j12 h MET 402 CO 0.02 0.17 -0.35 0.66 0.14 0.00 0.00 176.91 177.54 1j12 n TYR 403 N -4.36 0.72 -3.25 1.39 0.53 -1.17 -4.84 117.16 106.18 1j12 n TYR 403 Ca -0.02 -1.64 -0.04 0.00 -1.02 0.00 0.00 57.90 55.17 1j12 n TYR 403 Cb 0.22 -0.37 -0.03 0.00 -1.03 0.00 0.00 39.34 38.13 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 -3.00 -0.74 0.56 7.72 3.84 -1.06 -5.02 114.94 117.24 1j12 s ASN 404 Ca 0.42 -1.04 0.27 0.00 0.21 0.00 0.00 52.86 52.72 1j12 s ASN 404 Cb 0.39 1.55 1.50 0.00 -0.55 0.00 0.00 41.25 44.14 1j12 s ASN 404 CO -0.03 -0.19 2.02 0.78 -2.79 0.00 0.00 177.10 176.88 1j12 h ASN 405 N 6.98 0.00 0.15 -4.21 4.21 -1.89 -1.48 115.58 119.34 1j12 h ASN 405 Ca 0.05 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 1j12 h ASN 405 Cb 1.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1j12 h ASN 405 CO 0.13 0.00 -0.07 0.28 -1.29 0.00 0.00 177.43 176.48 1j12 h SER 406 N 0.00 -0.17 -0.48 5.81 0.02 -1.95 0.89 113.55 117.66 1j12 h SER 406 Ca 0.17 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1j12 h SER 406 Cb 0.80 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1j12 h SER 406 CO -0.00 0.15 0.10 -0.07 -1.14 0.00 0.00 176.83 175.86 1j12 h LEU 407 N -0.50 0.76 -0.74 5.07 3.38 -1.80 -1.78 115.31 119.69 1j12 h LEU 407 Ca -0.02 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1j12 h LEU 407 Cb 0.39 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1j12 h LEU 407 CO 0.03 0.81 0.42 -0.03 0.09 0.00 0.00 178.44 179.77 1j12 h MET 408 N 0.67 0.73 -0.29 1.13 4.05 -1.23 0.85 114.93 120.84 1j12 h MET 408 Ca 0.15 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1j12 h MET 408 Cb 0.37 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1j12 h MET 408 CO 0.01 0.48 0.01 0.78 0.23 0.00 0.00 176.91 178.42 1j12 h GLY 409 N 0.75 0.54 1.26 1.39 0.00 -0.53 -1.10 103.07 105.38 1j12 h GLY 409 Ca 0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1j12 h GLY 409 CO -0.21 0.36 0.27 0.50 0.00 0.00 0.00 176.54 177.47 1j12 h LYS 410 N 0.30 0.95 -0.19 4.80 1.79 -0.86 -1.59 116.57 121.77 1j12 h LYS 410 Ca 0.08 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1j12 h LYS 410 Cb 0.40 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1j12 h LYS 410 CO 0.01 0.76 0.06 0.35 -1.08 0.00 0.00 179.45 179.56 1j12 h PHE 411 N 0.94 0.30 -0.32 -1.35 3.57 -0.59 -0.70 116.94 118.78 1j12 h PHE 411 Ca 0.22 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1j12 h PHE 411 Cb 0.16 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1j12 h PHE 411 CO 0.01 0.39 0.09 -0.22 -2.23 0.00 0.00 178.31 176.35 1j12 h LYS 412 N 0.13 0.21 0.26 1.11 3.64 -0.86 0.27 116.57 121.33 1j12 h LYS 412 Ca 0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1j12 h LYS 412 Cb 0.23 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1j12 h LYS 412 CO -0.00 0.14 -0.12 0.22 -2.27 0.00 0.00 179.45 177.41 1j12 h ASP 413 N 0.22 -0.30 0.05 4.20 3.58 -1.15 -2.90 116.42 120.13 1j12 h ASP 413 Ca 0.15 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 1j12 h ASP 413 Cb 0.14 0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.28 1j12 h ASP 413 CO -0.17 -0.21 -0.37 -0.07 -2.88 0.00 0.00 179.24 175.53 1j12 h LEU 414 N -0.35 0.24 0.00 2.28 3.38 -0.98 -3.43 115.31 116.45 1j12 h LEU 414 Ca -0.04 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 56.99 1j12 h LEU 414 Cb 0.27 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1j12 h LEU 414 CO 0.06 1.14 -1.24 0.18 0.09 0.00 0.00 178.44 178.67 1j12 n LEU 415 N -4.40 0.00 -2.45 1.67 4.77 0.74 -4.75 117.00 112.58 1j12 n LEU 415 Ca -0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 1j12 n LEU 415 Cb 0.62 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.62 1j12 n LEU 415 CO 0.41 0.02 1.99 0.61 -1.33 0.00 0.00 177.39 179.09 1j12 n GLY 416 N 2.34 3.69 3.97 -0.72 0.00 0.01 -4.78 105.19 109.69 1j12 n GLY 416 Ca -0.02 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 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 0.32 5.25 -0.30 1.61 -7.23 -1.26 -4.27 120.40 114.53 1j12 s VAL 417 Ca 0.65 -0.98 -0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1j12 s VAL 417 Cb 0.30 -3.85 0.05 0.00 0.56 0.00 0.00 36.38 33.43 1j12 s VAL 417 CO -0.07 -0.32 0.00 -0.89 -0.31 0.00 0.00 175.10 173.51 1j12 s THR 418 N -1.97 3.04 0.12 5.32 2.01 -1.26 -4.86 115.64 118.03 1j12 s THR 418 Ca 0.34 -1.32 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 1j12 s THR 418 Cb -0.09 -2.72 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 1j12 s THR 418 CO 0.29 -0.08 1.34 -2.16 -0.69 0.00 0.00 174.62 173.32 1j12 s PRO 419 N 1.27 4.35 0.03 4.92 0.04 -1.26 0.10 135.00 144.46 1j12 s PRO 419 Ca -0.04 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1j12 s PRO 419 Cb -0.19 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1j12 s PRO 419 CO -0.01 -0.37 -0.11 0.54 0.04 0.00 0.00 177.00 177.09 1j12 s VAL 420 N 0.95 0.84 -0.06 -0.36 0.11 -0.39 -4.89 120.40 116.61 1j12 s VAL 420 Ca 0.62 -0.89 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 1j12 s VAL 420 Cb -0.35 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 1j12 s VAL 420 CO 0.31 -0.08 0.97 -0.32 -3.33 0.00 0.00 175.10 172.65 1j12 s MET 421 N -1.09 4.47 0.03 1.54 1.75 -1.26 -1.22 119.30 123.52 1j12 s MET 421 Ca -0.01 1.36 0.01 0.00 -1.25 0.00 0.00 55.69 55.80 1j12 s MET 421 Cb -0.07 -3.51 -0.02 0.00 2.84 0.00 0.00 34.83 34.07 1j12 s MET 421 CO 0.01 -0.19 -0.06 -0.65 -0.65 0.00 0.00 175.02 173.48 1j12 s GLN 422 N 1.56 0.43 -0.27 4.11 -1.52 0.01 -4.19 119.66 119.79 1j12 s GLN 422 Ca 0.49 -0.61 -0.11 0.00 -1.95 0.00 0.00 55.36 53.18 1j12 s GLN 422 Cb -0.19 -0.20 -0.05 0.00 -0.22 0.00 0.00 33.01 32.35 1j12 s GLN 422 CO 0.22 0.03 0.19 0.99 -0.25 0.00 0.00 175.29 176.46 1j12 s THR 423 N -1.16 5.32 -0.23 -0.19 2.01 -0.51 -0.28 115.64 120.60 1j12 s THR 423 Ca -0.09 0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1j12 s THR 423 Cb -0.08 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1j12 s THR 423 CO -0.00 0.27 0.15 -0.63 -0.69 0.00 0.00 174.62 173.72 1j12 s ILE 424 N 1.63 5.31 -0.07 1.82 -1.09 0.34 -0.69 121.20 128.45 1j12 s ILE 424 Ca 0.07 0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.69 1j12 s ILE 424 Cb -0.16 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.26 1j12 s ILE 424 CO 0.10 0.36 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.30 1j12 s VAL 425 N 0.99 1.55 -0.12 2.92 1.01 0.55 -0.86 120.40 126.43 1j12 s VAL 425 Ca 0.07 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1j12 s VAL 425 Cb -0.13 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1j12 s VAL 425 CO 0.04 0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1j12 s VAL 426 N 0.42 1.62 0.21 2.92 1.01 0.33 -1.28 120.40 125.63 1j12 s VAL 426 Ca -0.14 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1j12 s VAL 426 Cb -0.16 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 1j12 s VAL 426 CO 0.05 0.46 0.47 -0.54 0.00 0.00 0.00 175.10 175.55 1j12 s LYS 427 N 1.09 3.68 -0.89 2.72 -0.14 0.22 -2.47 119.74 123.95 1j12 s LYS 427 Ca -0.03 0.04 -0.10 0.00 -1.36 0.00 0.00 55.97 54.51 1j12 s LYS 427 Cb -0.14 -2.74 0.01 0.00 -1.68 0.00 0.00 37.83 33.28 1j12 s LYS 427 CO -0.04 0.36 0.59 0.27 -0.76 0.00 0.00 175.35 175.76 1j12 n ASN 428 N -0.26 -4.33 -4.62 2.83 6.94 -1.26 -0.03 115.26 114.53 1j12 n ASN 428 Ca -0.01 -1.03 -0.39 0.00 -0.02 0.00 0.00 54.58 53.13 1j12 n ASN 428 Cb 0.53 -1.50 -0.08 0.00 -2.36 0.00 0.00 39.78 36.36 1j12 n ASN 428 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1j12 s VAL 429 N -3.13 5.12 -0.99 3.53 1.01 -1.26 -4.27 120.40 120.41 1j12 s VAL 429 Ca 0.14 0.75 -0.23 0.00 0.00 0.00 0.00 61.98 62.64 1j12 s VAL 429 Cb -0.08 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 1j12 s VAL 429 CO 0.87 0.13 1.92 -0.81 0.00 0.00 0.00 175.10 177.22 1j12 n PRO 430 N 5.32 1.46 -3.82 2.72 -0.04 -1.26 -4.92 135.00 134.46 1j12 n PRO 430 Ca -0.06 -2.17 -0.37 0.00 -0.04 0.00 0.00 63.50 60.86 1j12 n PRO 430 Cb 0.50 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 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 8.95 5.43 0.38 0.52 2.01 -1.26 -5.11 115.64 126.57 1j12 s THR 431 Ca 0.65 0.31 0.08 0.00 0.31 0.00 0.00 61.69 63.04 1j12 s THR 431 Cb 0.05 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 1j12 s THR 431 CO 0.14 0.61 0.05 0.42 -0.69 0.00 0.00 174.62 175.15 1j12 s THR 432 N -1.05 2.30 0.06 -0.82 -4.23 -1.26 -5.01 115.64 105.62 1j12 s THR 432 Ca 0.17 -1.93 -0.35 0.00 -1.18 0.00 0.00 61.69 58.40 1j12 s THR 432 Cb -0.13 -2.90 -0.14 0.00 1.34 0.00 0.00 72.50 70.67 1j12 s THR 432 CO 0.06 -0.08 1.63 -0.38 -0.54 0.00 0.00 174.62 175.31 1j12 n ILE 433 N -1.02 0.17 -0.00 2.99 2.08 -1.26 -0.91 119.36 121.40 1j12 n ILE 433 Ca -0.04 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1j12 n ILE 433 Cb 0.65 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.05 1j12 n ILE 433 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j12 n GLY 434 N 3.57 0.12 3.71 7.39 0.00 -1.26 -4.87 105.19 113.85 1j12 n GLY 434 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1j12 n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j12 s ASP 435 N -2.21 7.14 -0.04 1.61 1.11 -0.09 -2.76 116.67 121.43 1j12 s ASP 435 Ca 0.00 1.38 0.07 0.00 0.18 0.00 0.00 52.55 54.17 1j12 s ASP 435 Cb 0.00 -2.48 -0.02 0.00 1.07 0.00 0.00 42.92 41.49 1j12 s ASP 435 CO 0.00 -0.22 -0.24 0.42 1.18 0.00 0.00 175.17 176.30 1j12 s THR 436 N 1.12 2.17 -0.04 -1.27 -4.23 -0.70 -4.86 115.64 107.83 1j12 s THR 436 Ca 0.43 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1j12 s THR 436 Cb -0.19 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 1j12 s THR 436 CO 0.21 0.58 0.18 -0.69 -0.54 0.00 0.00 174.62 174.35 1j12 s VAL 437 N -0.45 5.45 0.20 2.29 1.01 -1.26 -1.09 120.40 126.55 1j12 s VAL 437 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1j12 s VAL 437 Cb -0.11 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1j12 s VAL 437 CO 0.01 0.41 0.13 -0.31 0.00 0.00 0.00 175.10 175.34 1j12 s TYR 438 N -1.24 1.18 0.03 5.22 1.51 -0.59 -0.49 117.35 122.96 1j12 s TYR 438 Ca 0.24 -1.38 0.02 0.00 -1.01 0.00 0.00 57.07 54.94 1j12 s TYR 438 Cb -0.12 -0.57 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1j12 s TYR 438 CO 0.14 -0.64 -0.07 0.96 -1.11 0.00 0.00 175.55 174.83 1j12 s ILE 439 N -4.14 0.54 -0.01 2.71 -4.36 -0.03 -0.85 121.20 115.05 1j12 s ILE 439 Ca 0.39 -0.79 -0.07 0.00 -0.26 0.00 0.00 60.65 59.92 1j12 s ILE 439 Cb 0.07 -0.55 0.00 0.00 1.25 0.00 0.00 42.46 43.23 1j12 s ILE 439 CO 0.12 -0.19 0.15 0.28 0.24 0.00 0.00 174.94 175.54 1j12 s THR 440 N -0.92 0.07 0.35 8.37 -1.32 -0.82 -1.62 115.64 119.74 1j12 s THR 440 Ca -0.05 -0.54 0.03 0.00 -1.21 0.00 0.00 61.69 59.92 1j12 s THR 440 Cb -0.07 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.51 1j12 s THR 440 CO 0.00 -0.30 0.39 0.61 -2.21 0.00 0.00 174.62 173.11 1j12 n GLY 441 N 1.77 2.51 0.31 6.08 0.00 -0.65 -1.30 105.19 113.91 1j12 n GLY 441 Ca -0.21 -1.77 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 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 2.05 0.98 -4.29 1.61 -1.07 -1.42 0.12 115.58 113.56 1j12 h ASN 442 Ca -0.26 -0.17 -0.50 0.00 0.07 0.00 0.00 56.30 55.44 1j12 h ASN 442 Cb 1.21 -0.25 0.06 0.00 -2.07 0.00 0.00 38.32 37.27 1j12 h ASN 442 CO 0.36 0.88 0.39 -0.13 0.07 0.00 0.00 177.43 179.00 1j12 s ARG 443 N -5.55 3.40 0.53 4.14 0.52 -1.26 -4.29 118.95 116.45 1j12 s ARG 443 Ca -0.13 0.95 0.24 0.00 -0.52 0.00 0.00 55.73 56.27 1j12 s ARG 443 Cb 0.14 -2.05 1.39 0.00 0.52 0.00 0.00 34.95 34.95 1j12 s ARG 443 CO 0.82 -0.73 2.03 0.00 0.02 0.00 0.00 175.30 177.45 1j12 h ALA 444 N -0.04 2.34 0.00 2.13 0.00 -1.91 0.13 119.26 121.91 1j12 h ALA 444 Ca -0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1j12 h ALA 444 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1j12 h ALA 444 CO 0.59 -0.49 -0.27 0.93 0.00 0.00 0.00 179.25 180.01 1j12 h GLU 445 N 0.00 0.00 -0.58 0.00 3.07 -1.87 -2.84 114.58 112.35 1j12 h GLU 445 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1j12 h GLU 445 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1j12 h GLU 445 CO -0.00 0.27 0.00 1.28 -1.40 0.00 0.00 179.01 179.16 1j12 n LEU 446 N -3.83 4.36 0.00 1.33 4.32 0.39 -4.52 117.00 119.06 1j12 n LEU 446 Ca -0.02 -2.39 0.00 0.00 -0.02 0.00 0.00 56.01 53.59 1j12 n LEU 446 Cb 0.36 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1j12 n LEU 446 CO 0.35 0.81 0.00 0.61 -1.22 0.00 0.00 177.39 177.94 1j12 n GLY 447 N 0.96 0.75 3.97 -0.72 0.00 -1.07 -1.63 105.19 107.44 1j12 n GLY 447 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.29 0.00 1.61 7.64 -0.79 -1.44 113.62 120.35 1j12 n SER 448 Ca 0.00 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1j12 n SER 448 Cb 0.00 -2.99 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 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 -4.41 0.00 -2.26 1.43 7.02 0.38 -4.93 117.44 114.68 1j12 n TRP 449 Ca -0.31 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.76 1j12 n TRP 449 Cb 0.68 -0.83 -0.03 0.00 -2.42 0.00 0.00 31.31 28.72 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 -2.41 6.94 0.00 -0.99 2.15 -0.52 -4.91 116.67 116.93 1j12 s ASP 450 Ca 0.00 2.36 0.06 0.00 0.43 0.00 0.00 52.55 55.40 1j12 s ASP 450 Cb 0.00 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1j12 s ASP 450 CO 0.00 -0.49 0.33 0.35 -0.17 0.00 0.00 175.17 175.19 1j12 n THR 451 N 2.58 0.00 0.01 1.71 -2.24 -1.26 -3.39 114.28 111.68 1j12 n THR 451 Ca 0.06 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1j12 n THR 451 Cb 0.43 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.24 -0.06 0.00 -0.78 1.63 -1.98 -3.43 116.57 112.19 1j12 h LYS 452 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1j12 h LYS 452 Cb 0.16 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1j12 h LYS 452 CO 0.00 -0.04 0.00 0.00 -3.45 0.00 0.00 179.45 175.96 1j12 n GLN 453 N -3.35 3.88 0.00 1.90 10.64 -1.26 -4.80 117.38 124.38 1j12 n GLN 453 Ca -0.01 -0.18 0.06 0.00 -1.83 0.00 0.00 57.00 55.04 1j12 n GLN 453 Cb 0.03 -0.67 -0.04 0.00 -0.86 0.00 0.00 30.24 28.70 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 -0.60 0.00 -0.72 2.61 4.01 -1.26 -3.46 117.16 117.74 1j12 n TYR 454 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1j12 n TYR 454 Cb 0.00 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.92 0.79 -0.21 -0.72 0.04 -1.22 0.40 135.00 132.16 1j12 s PRO 455 Ca 0.07 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.45 1j12 s PRO 455 Cb 0.10 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 1j12 s PRO 455 CO 0.43 -2.74 0.04 0.42 0.04 0.00 0.00 177.00 175.19 1j12 s ILE 456 N -2.64 4.28 0.35 0.56 1.01 -0.64 -3.77 121.20 120.34 1j12 s ILE 456 Ca 0.67 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.86 1j12 s ILE 456 Cb -0.23 -2.96 -0.10 0.00 0.01 0.00 0.00 42.46 39.19 1j12 s ILE 456 CO 0.59 0.40 0.99 -1.58 0.00 0.00 0.00 174.94 175.34 1j12 s GLN 457 N 1.09 4.44 0.24 2.79 0.74 -0.28 -0.85 119.66 127.83 1j12 s GLN 457 Ca 0.03 1.42 0.09 0.00 0.05 0.00 0.00 55.36 56.95 1j12 s GLN 457 Cb -0.14 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 1j12 s GLN 457 CO 0.03 0.13 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.37 1j12 s LEU 458 N -2.24 3.18 0.09 3.68 1.43 0.35 -4.85 118.68 120.33 1j12 s LEU 458 Ca 0.53 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1j12 s LEU 458 Cb -0.20 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1j12 s LEU 458 CO 0.26 0.03 -0.21 -0.31 0.23 0.00 0.00 176.35 176.35 1j12 s TYR 459 N -2.13 1.80 -0.01 0.29 1.51 -0.22 -4.34 117.35 114.25 1j12 s TYR 459 Ca 0.30 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 1j12 s TYR 459 Cb -0.07 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 1j12 s TYR 459 CO 0.19 0.19 1.02 -0.47 -1.11 0.00 0.00 175.55 175.37 1j12 s TYR 460 N -1.11 3.59 -0.65 2.71 5.04 -1.26 -0.32 117.35 125.35 1j12 s TYR 460 Ca 0.07 1.62 -0.19 0.00 -2.44 0.00 0.00 57.07 56.13 1j12 s TYR 460 Cb -0.10 -3.18 0.11 0.00 0.35 0.00 0.00 41.96 39.14 1j12 s TYR 460 CO 0.04 -0.24 0.78 0.34 -1.34 0.00 0.00 175.55 175.14 1j12 s ASP 461 N 1.05 6.26 0.22 4.32 -1.08 0.20 -4.92 116.67 122.72 1j12 s ASP 461 Ca 0.52 -1.52 -0.11 0.00 -0.52 0.00 0.00 52.55 50.92 1j12 s ASP 461 Cb -0.22 -2.32 0.32 0.00 -1.46 0.00 0.00 42.92 39.24 1j12 s ASP 461 CO 0.26 -1.12 1.64 0.28 0.52 0.00 0.00 175.17 176.75 1j12 h SER 462 N 9.11 -0.41 -0.39 -0.34 0.02 -1.95 1.02 113.55 120.61 1j12 h SER 462 Ca -0.22 0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1j12 h SER 462 Cb 1.08 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.93 1j12 h SER 462 CO 1.09 -0.17 -0.10 -0.74 -1.14 0.00 0.00 176.83 175.77 1j12 h HIS 463 N 0.07 0.93 -0.01 3.45 -0.00 -1.97 -3.14 115.15 114.48 1j12 h HIS 463 Ca 0.34 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1j12 h HIS 463 Cb 0.56 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1j12 h HIS 463 CO -0.44 0.90 -0.46 0.43 -0.00 0.00 0.00 177.93 178.36 1j12 n SER 464 N -4.16 1.70 -3.83 3.26 7.64 -0.67 -5.00 113.62 112.56 1j12 n SER 464 Ca 0.01 -1.31 -0.26 0.00 1.01 0.00 0.00 58.87 58.32 1j12 n SER 464 Cb 0.37 0.42 0.02 0.00 -1.01 0.00 0.00 64.21 64.02 1j12 n SER 464 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1j12 n ASN 465 N -0.29 -2.58 -3.41 6.43 4.13 0.34 -4.98 115.26 114.90 1j12 n ASN 465 Ca 0.10 -0.83 -0.12 0.00 1.68 0.00 0.00 54.58 55.40 1j12 n ASN 465 Cb 0.43 -3.83 -0.03 0.00 -1.54 0.00 0.00 39.78 34.80 1j12 n ASN 465 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1j12 s ASP 466 N -3.91 0.49 -0.14 6.41 3.84 -1.18 -4.76 116.67 117.41 1j12 s ASP 466 Ca 0.29 -1.28 -0.05 0.00 -0.00 0.00 0.00 52.55 51.51 1j12 s ASP 466 Cb -0.15 0.67 -0.03 0.00 -1.38 0.00 0.00 42.92 42.03 1j12 s ASP 466 CO 0.83 -1.31 0.02 0.26 -0.00 0.00 0.00 175.17 174.97 1j12 s TRP 467 N -3.21 3.18 0.22 2.11 0.52 -1.03 0.61 118.94 121.34 1j12 s TRP 467 Ca 0.26 0.04 -0.19 0.00 0.02 0.00 0.00 56.10 56.24 1j12 s TRP 467 Cb -0.01 -1.94 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1j12 s TRP 467 CO 0.16 0.24 0.58 -0.98 0.02 0.00 0.00 176.95 176.97 1j12 s ARG 468 N -0.13 1.49 -0.09 4.98 1.70 0.57 -0.51 118.95 126.96 1j12 s ARG 468 Ca 0.05 -0.89 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1j12 s ARG 468 Cb -0.12 0.55 0.08 0.00 -0.57 0.00 0.00 34.95 34.88 1j12 s ARG 468 CO 0.02 -0.65 0.73 0.20 -1.08 0.00 0.00 175.30 174.52 1j12 s GLY 469 N -2.89 -0.53 -0.57 3.88 0.00 -0.04 -1.05 107.32 106.12 1j12 s GLY 469 Ca 0.10 1.50 -0.22 0.00 0.00 0.00 0.00 44.72 46.10 1j12 s GLY 469 CO -0.00 1.06 0.85 -1.31 0.00 0.00 0.00 173.10 173.70 1j12 s ASN 470 N -1.00 6.25 -0.08 1.64 0.01 -1.26 -0.50 114.94 119.99 1j12 s ASN 470 Ca -0.09 -0.75 -0.01 0.00 -0.71 0.00 0.00 52.86 51.30 1j12 s ASN 470 Cb -0.01 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1j12 s ASN 470 CO 0.08 -1.19 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.76 1j12 s VAL 471 N 3.54 4.08 -0.27 1.60 1.01 0.62 -4.91 120.40 126.07 1j12 s VAL 471 Ca 0.23 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1j12 s VAL 471 Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1j12 s VAL 471 CO 0.14 0.60 0.53 -0.69 0.00 0.00 0.00 175.10 175.68 1j12 s VAL 472 N -0.81 5.05 0.36 2.92 1.01 -1.26 -0.81 120.40 126.86 1j12 s VAL 472 Ca 0.12 0.86 0.09 0.00 0.00 0.00 0.00 61.98 63.05 1j12 s VAL 472 Cb -0.11 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1j12 s VAL 472 CO 0.02 0.04 -0.05 -0.76 0.00 0.00 0.00 175.10 174.35 1j12 s LEU 473 N 2.36 2.81 -0.24 3.92 2.01 -0.36 -4.24 118.68 124.95 1j12 s LEU 473 Ca 0.22 -1.20 -0.28 0.00 0.01 0.00 0.00 54.13 52.87 1j12 s LEU 473 Cb -0.16 -1.04 0.01 0.00 0.01 0.00 0.00 46.19 45.01 1j12 s LEU 473 CO 0.10 -0.27 1.01 -2.16 1.01 0.00 0.00 176.35 176.04 1j12 s PRO 474 N -3.66 4.24 0.37 1.29 0.04 -1.26 -1.26 135.00 134.75 1j12 s PRO 474 Ca 0.34 1.28 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 1j12 s PRO 474 Cb 0.04 -3.65 -0.11 0.00 0.04 0.00 0.00 34.50 30.83 1j12 s PRO 474 CO 0.17 -0.63 1.42 0.00 0.04 0.00 0.00 177.00 178.00 1j12 s ALA 475 N 3.17 3.52 -1.44 8.56 0.00 0.11 -3.41 121.76 132.28 1j12 s ALA 475 Ca 0.43 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.78 1j12 s ALA 475 Cb -0.15 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1j12 s ALA 475 CO 0.07 -0.91 0.72 0.39 0.00 0.00 0.00 175.76 176.03 1j12 n GLU 476 N 0.53 -5.44 -4.58 0.00 1.02 0.11 -4.59 120.64 107.69 1j12 n GLU 476 Ca 0.01 0.85 -0.23 0.00 -0.02 0.00 0.00 57.16 57.77 1j12 n GLU 476 Cb 0.40 -5.67 -0.14 0.00 -0.02 0.00 0.00 31.44 26.01 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 -5.80 1.18 -0.00 3.49 1.81 -1.22 -4.77 118.95 113.63 1j12 s ARG 477 Ca 0.36 -0.71 -0.30 0.00 -1.72 0.00 0.00 55.73 53.36 1j12 s ARG 477 Cb -0.16 -1.19 -0.04 0.00 -0.45 0.00 0.00 34.95 33.12 1j12 s ARG 477 CO 0.44 0.31 1.12 -0.80 -0.68 0.00 0.00 175.30 175.69 1j12 s ASN 478 N -0.81 7.17 0.10 0.23 -0.87 -1.26 -0.96 114.94 118.54 1j12 s ASN 478 Ca 0.05 1.82 0.07 0.00 -1.57 0.00 0.00 52.86 53.23 1j12 s ASN 478 Cb -0.07 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.55 1j12 s ASN 478 CO 0.01 -0.44 -0.18 0.27 -2.57 0.00 0.00 177.10 174.19 1j12 s ILE 479 N 1.42 1.53 -0.07 0.60 -4.36 -0.65 -4.95 121.20 114.71 1j12 s ILE 479 Ca 0.55 -1.53 0.02 0.00 -0.26 0.00 0.00 60.65 59.43 1j12 s ILE 479 Cb -0.25 -1.45 0.01 0.00 1.25 0.00 0.00 42.46 42.02 1j12 s ILE 479 CO 0.26 -0.16 -0.13 -1.61 0.24 0.00 0.00 174.94 173.54 1j12 s GLU 480 N -2.01 1.84 0.17 0.37 2.02 -1.26 -1.57 118.70 118.26 1j12 s GLU 480 Ca 0.05 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 54.51 1j12 s GLU 480 Cb -0.09 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 1j12 s GLU 480 CO 0.04 0.01 0.28 -0.59 0.02 0.00 0.00 175.26 175.03 1j12 s PHE 481 N 0.73 0.46 -0.16 1.61 -0.12 -0.32 -1.09 117.98 119.09 1j12 s PHE 481 Ca -0.13 -0.81 -0.13 0.00 -0.05 0.00 0.00 56.93 55.80 1j12 s PHE 481 Cb -0.16 -0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.20 1j12 s PHE 481 CO 0.03 -0.73 0.43 0.21 -0.05 0.00 0.00 175.22 175.10 1j12 s LYS 482 N -3.99 0.47 0.29 1.99 2.20 -0.42 -0.83 119.74 119.46 1j12 s LYS 482 Ca 0.19 0.65 -0.12 0.00 -0.36 0.00 0.00 55.97 56.33 1j12 s LYS 482 Cb 0.03 0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.44 1j12 s LYS 482 CO 0.02 -0.09 0.67 0.00 -0.36 0.00 0.00 175.35 175.59 1j12 s ALA 483 N 0.55 3.42 0.08 3.13 0.00 -1.26 -1.94 121.76 125.75 1j12 s ALA 483 Ca -0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 1j12 s ALA 483 Cb -0.04 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1j12 s ALA 483 CO -0.03 0.37 0.21 -0.59 0.00 0.00 0.00 175.76 175.73 1j12 s PHE 484 N -1.95 0.09 -0.16 0.00 -0.12 -0.03 -0.11 117.98 115.70 1j12 s PHE 484 Ca 0.51 -0.47 -0.07 0.00 -0.05 0.00 0.00 56.93 56.86 1j12 s PHE 484 Cb -0.11 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1j12 s PHE 484 CO 0.20 -0.54 0.06 0.42 -0.05 0.00 0.00 175.22 175.31 1j12 s ILE 485 N -3.60 4.80 -0.15 -4.49 1.01 -0.44 -1.54 121.20 116.78 1j12 s ILE 485 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 1j12 s ILE 485 Cb 0.03 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1j12 s ILE 485 CO -0.10 0.50 -0.13 -0.75 0.00 0.00 0.00 174.94 174.46 1j12 s LYS 486 N 0.01 3.30 0.79 2.79 2.20 -0.25 -0.13 119.74 128.45 1j12 s LYS 486 Ca 0.06 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.84 1j12 s LYS 486 Cb -0.12 -2.67 0.06 0.00 -1.51 0.00 0.00 37.83 33.60 1j12 s LYS 486 CO 0.01 0.07 1.11 -1.54 -0.36 0.00 0.00 175.35 174.64 1j12 s SER 487 N 0.70 4.64 0.29 1.43 1.04 -0.24 -1.72 113.70 119.84 1j12 s SER 487 Ca -0.06 1.15 0.04 0.00 0.48 0.00 0.00 55.95 57.55 1j12 s SER 487 Cb -0.15 -1.85 0.75 0.00 0.10 0.00 0.00 66.02 64.87 1j12 s SER 487 CO 0.02 -1.86 1.66 0.50 0.98 0.00 0.00 173.24 174.54 1j12 h LYS 488 N -1.01 0.27 0.00 4.02 1.63 -1.85 0.16 116.57 119.79 1j12 h LYS 488 Ca -0.47 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1j12 h LYS 488 Cb 1.28 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1j12 h LYS 488 CO 0.62 0.18 0.00 -0.40 -3.45 0.00 0.00 179.45 176.40 1j12 n ASP 489 N -5.15 0.00 0.00 4.20 5.75 -1.26 -4.88 116.55 115.21 1j12 n ASP 489 Ca 0.23 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1j12 n ASP 489 Cb 0.70 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1j12 n ASP 489 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j12 n GLY 490 N 0.18 0.84 3.66 6.12 0.00 0.56 -5.09 105.19 111.46 1j12 n GLY 490 Ca 0.08 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1j12 n GLY 490 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j12 s THR 491 N -2.00 3.82 0.06 2.61 -4.23 -1.25 -4.86 115.64 109.78 1j12 s THR 491 Ca 0.00 -1.15 -0.31 0.00 -1.18 0.00 0.00 61.69 59.06 1j12 s THR 491 Cb 0.00 -2.84 -0.08 0.00 1.34 0.00 0.00 72.50 70.92 1j12 s THR 491 CO 0.00 0.06 1.66 -0.69 -0.54 0.00 0.00 174.62 175.11 1j12 s VAL 492 N -1.38 3.06 -0.20 2.29 1.01 -1.26 -1.08 120.40 122.83 1j12 s VAL 492 Ca 0.25 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 1j12 s VAL 492 Cb -0.11 -3.32 -0.20 0.00 0.00 0.00 0.00 36.38 32.76 1j12 s VAL 492 CO 0.17 -0.00 0.21 1.17 0.00 0.00 0.00 175.10 176.65 1j12 n LYS 493 N 5.69 0.59 -3.90 2.72 4.81 0.81 -4.88 118.16 124.00 1j12 n LYS 493 Ca 0.16 0.52 -0.08 0.00 -0.87 0.00 0.00 58.31 58.05 1j12 n LYS 493 Cb 0.41 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 1j12 n LYS 493 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1j12 s SER 494 N -6.91 -0.20 0.15 3.14 1.04 -1.23 -5.00 113.70 104.70 1j12 s SER 494 Ca -0.28 -0.72 0.09 0.00 0.48 0.00 0.00 55.95 55.52 1j12 s SER 494 Cb 0.06 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1j12 s SER 494 CO 0.61 -1.30 -0.21 0.26 0.98 0.00 0.00 173.24 173.59 1j12 s TRP 495 N -3.91 1.94 0.34 5.02 0.52 -1.26 -1.33 118.94 120.26 1j12 s TRP 495 Ca 0.15 -0.43 -0.29 0.00 0.02 0.00 0.00 56.10 55.55 1j12 s TRP 495 Cb -0.04 -0.99 -0.11 0.00 -1.15 0.00 0.00 33.47 31.17 1j12 s TRP 495 CO 0.08 0.34 1.50 -1.14 0.02 0.00 0.00 176.95 177.74 1j12 s GLN 496 N -2.51 4.15 0.08 4.98 0.74 0.84 -4.92 119.66 123.02 1j12 s GLN 496 Ca 0.14 2.52 -0.32 0.00 0.05 0.00 0.00 55.36 57.76 1j12 s GLN 496 Cb -0.07 -3.00 -0.16 0.00 1.10 0.00 0.00 33.01 30.87 1j12 s GLN 496 CO 0.07 -0.52 1.63 1.79 -0.55 0.00 0.00 175.29 177.70 1j12 h THR 497 N 3.14 0.34 -3.10 -0.34 1.35 -1.67 -3.44 112.91 109.20 1j12 h THR 497 Ca -0.49 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 64.70 1j12 h THR 497 Cb 1.23 0.34 -0.12 0.00 -1.73 0.00 0.00 68.15 67.88 1j12 h THR 497 CO 0.70 0.00 -0.57 -0.63 -0.25 0.00 0.00 175.52 174.76 1j12 s ILE 498 N -6.04 4.72 0.07 6.82 1.01 -1.26 -5.07 121.20 121.44 1j12 s ILE 498 Ca -0.17 -0.19 -0.31 0.00 0.00 0.00 0.00 60.65 59.98 1j12 s ILE 498 Cb 0.05 -3.05 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 1j12 s ILE 498 CO 0.63 0.53 1.37 -1.58 0.00 0.00 0.00 174.94 175.89 1j12 s GLN 499 N -1.18 4.33 0.36 2.79 0.74 -1.26 -4.93 119.66 120.51 1j12 s GLN 499 Ca 0.17 2.00 -0.01 0.00 0.05 0.00 0.00 55.36 57.56 1j12 s GLN 499 Cb -0.12 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 1j12 s GLN 499 CO 0.06 -0.45 0.58 -0.65 -0.55 0.00 0.00 175.29 174.28 1j12 s GLN 500 N 1.49 3.51 0.12 1.67 -1.52 -0.01 -4.95 119.66 119.97 1j12 s GLN 500 Ca 0.64 -0.21 -0.11 0.00 -1.95 0.00 0.00 55.36 53.72 1j12 s GLN 500 Cb -0.34 -2.62 0.01 0.00 -0.22 0.00 0.00 33.01 29.84 1j12 s GLN 500 CO 0.29 0.10 0.28 -1.54 -0.25 0.00 0.00 175.29 174.17 1j12 s SER 501 N -3.94 -0.01 -0.31 5.90 1.04 -1.26 -1.17 113.70 113.96 1j12 s SER 501 Ca 0.41 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 1j12 s SER 501 Cb -0.10 0.41 0.13 0.00 0.10 0.00 0.00 66.02 66.56 1j12 s SER 501 CO 0.37 -0.81 0.26 0.86 0.98 0.00 0.00 173.24 174.90 1j12 s TRP 502 N -3.87 -0.12 -0.43 5.02 -0.11 -0.61 -5.00 118.94 113.83 1j12 s TRP 502 Ca 0.07 -0.60 0.01 0.00 1.22 0.00 0.00 56.10 56.80 1j12 s TRP 502 Cb 0.03 -0.61 0.12 0.00 -1.50 0.00 0.00 33.47 31.51 1j12 s TRP 502 CO -0.09 -0.90 0.18 -0.80 -4.62 0.00 0.00 176.95 170.72 1j12 s ASN 503 N 2.01 4.85 0.38 5.86 0.02 -1.26 -1.64 114.94 125.17 1j12 s ASN 503 Ca 0.11 -2.39 0.06 0.00 -1.02 0.00 0.00 52.86 49.63 1j12 s ASN 503 Cb -0.16 -1.71 0.06 0.00 0.02 0.00 0.00 41.25 39.47 1j12 s ASN 503 CO -0.26 -0.39 0.51 -0.81 0.02 0.00 0.00 177.10 176.18 1j12 n PRO 504 N 4.01 0.75 -2.30 -0.60 -0.04 -1.26 -5.03 135.00 130.53 1j12 n PRO 504 Ca 0.03 -2.09 -0.42 0.00 -0.04 0.00 0.00 63.50 60.98 1j12 n PRO 504 Cb 0.39 -0.13 -0.03 0.00 -0.04 0.00 0.00 33.50 33.69 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 -1.42 3.75 0.55 0.52 1.01 -0.13 -4.85 120.40 119.83 1j12 s VAL 505 Ca 0.39 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 63.38 1j12 s VAL 505 Cb -0.03 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1j12 s VAL 505 CO 0.25 0.07 1.18 -2.65 0.00 0.00 0.00 175.10 173.95 1j12 n PRO 506 N 4.34 1.38 0.13 2.72 -0.02 -1.26 0.04 135.00 142.34 1j12 n PRO 506 Ca 0.11 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1j12 n PRO 506 Cb 0.44 -2.37 0.41 0.00 -0.02 0.00 0.00 33.50 31.97 1j12 n PRO 506 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1j12 h LEU 507 N 1.14 0.00 -8.73 2.45 5.85 -1.95 -3.40 115.31 110.68 1j12 h LEU 507 Ca -0.49 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 57.53 1j12 h LEU 507 Cb 1.33 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 42.09 1j12 h LEU 507 CO 0.55 0.00 -0.87 -1.59 -0.34 0.00 0.00 178.44 176.19 1j12 s LYS 508 N -3.19 1.97 0.31 1.25 0.00 -1.26 -5.00 119.74 113.82 1j12 s LYS 508 Ca 0.08 -1.01 -0.29 0.00 0.00 0.00 0.00 55.97 54.75 1j12 s LYS 508 Cb 0.11 -2.04 -0.13 0.00 0.00 0.00 0.00 37.83 35.77 1j12 s LYS 508 CO 0.55 0.54 1.28 2.41 0.00 0.00 0.00 175.35 180.13 1j12 n THR 509 N 2.01 1.75 -1.27 3.79 -1.04 -1.26 -4.96 114.28 113.31 1j12 n THR 509 Ca -0.17 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1j12 n THR 509 Cb 0.52 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1j12 n THR 509 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1j12 n THR 510 N 0.69 0.00 -3.91 12.58 5.66 -1.26 -5.06 114.28 122.98 1j12 n THR 510 Ca 0.07 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.98 1j12 n THR 510 Cb 0.34 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.04 1j12 n THR 510 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1j12 s SER 511 N 2.00 0.16 -0.20 1.09 1.04 -1.26 -1.42 113.70 115.11 1j12 s SER 511 Ca 0.00 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1j12 s SER 511 Cb 0.00 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1j12 s SER 511 CO 0.00 -0.57 -0.14 -2.28 0.98 0.00 0.00 173.24 171.23 1j12 s HIS 512 N -2.97 2.69 -0.14 5.02 2.46 0.14 -4.95 115.29 117.54 1j12 s HIS 512 Ca -0.02 -1.72 -0.00 0.00 0.47 0.00 0.00 55.06 53.78 1j12 s HIS 512 Cb 0.01 -1.79 -0.01 0.00 -0.13 0.00 0.00 32.58 30.66 1j12 s HIS 512 CO -0.06 -0.79 -0.13 0.99 -2.47 0.00 0.00 174.74 172.29 1j12 s THR 513 N 1.31 3.02 0.21 0.89 2.01 -1.26 -0.33 115.64 121.48 1j12 s THR 513 Ca -0.00 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 1j12 s THR 513 Cb -0.16 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1j12 s THR 513 CO -0.09 0.51 0.18 -0.94 -0.69 0.00 0.00 174.62 173.59 1j12 s SER 514 N 0.52 0.11 0.23 3.53 1.04 -0.40 -5.01 113.70 113.72 1j12 s SER 514 Ca -0.09 -1.31 0.10 0.00 0.48 0.00 0.00 55.95 55.14 1j12 s SER 514 Cb -0.16 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1j12 s SER 514 CO 0.04 -0.89 -0.13 -0.94 0.98 0.00 0.00 173.24 172.31 1j12 s SER 515 N -3.13 4.01 0.00 7.02 1.04 -1.26 0.71 113.70 122.08 1j12 s SER 515 Ca 0.36 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1j12 s SER 515 Cb 0.06 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1j12 s SER 515 CO 0.11 0.07 0.48 1.87 0.98 0.00 0.00 173.24 176.75