#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og2 n PRO 31 N 0.00 -2.63 0.00 0.52 -0.04 -1.26 -4.14 135.00 127.45 1og2 n PRO 31 Ca 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1og2 n PRO 31 Cb 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1og2 n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1og2 n GLY 32 N -3.14 3.34 3.77 0.55 0.00 -1.26 0.64 105.19 109.09 1og2 n GLY 32 Ca 0.12 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1og2 n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1og2 s PRO 33 N -2.29 4.19 0.08 1.61 0.04 -1.26 -4.93 135.00 132.45 1og2 s PRO 33 Ca 0.00 2.42 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 1og2 s PRO 33 Cb 0.00 -2.99 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 1og2 s PRO 33 CO 0.00 -0.40 1.68 0.95 0.04 0.00 0.00 177.00 179.26 1og2 s THR 34 N -1.13 2.92 0.31 1.26 -4.23 -1.26 -4.88 115.64 108.63 1og2 s THR 34 Ca 0.52 0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 61.26 1og2 s THR 34 Cb -0.44 -3.26 -0.09 0.00 1.34 0.00 0.00 72.50 70.05 1og2 s THR 34 CO 0.59 0.00 0.75 -2.16 -0.54 0.00 0.00 174.62 173.26 1og2 s PRO 35 N 2.56 4.10 0.58 3.99 0.04 -1.26 -4.96 135.00 140.05 1og2 s PRO 35 Ca 0.75 0.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 1og2 s PRO 35 Cb -0.41 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1og2 s PRO 35 CO 0.33 0.21 1.02 -0.51 0.04 0.00 0.00 177.00 178.08 1og2 s LEU 36 N -2.72 3.39 0.15 -3.56 1.43 -0.78 -4.93 118.68 111.67 1og2 s LEU 36 Ca 0.52 1.51 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1og2 s LEU 36 Cb -0.12 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.55 1og2 s LEU 36 CO 0.18 -0.82 1.45 -2.65 0.23 0.00 0.00 176.35 174.74 1og2 n PRO 37 N -2.30 -0.41 -0.01 1.29 -0.02 -1.26 -2.98 135.00 129.31 1og2 n PRO 37 Ca 0.06 1.42 -0.00 0.00 -2.02 0.00 0.00 63.50 62.97 1og2 n PRO 37 Cb 0.54 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1og2 n PRO 37 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1og2 n VAL 38 N -5.18 0.16 1.34 -1.45 3.14 -1.26 -4.68 118.33 110.39 1og2 n VAL 38 Ca 0.02 -0.14 0.03 0.00 -2.96 0.00 0.00 64.34 61.29 1og2 n VAL 38 Cb 0.25 -0.30 0.08 0.00 -1.06 0.00 0.00 33.84 32.81 1og2 n VAL 38 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1og2 n ILE 39 N -1.93 0.28 -2.75 1.55 -5.35 -1.23 -4.61 119.36 105.33 1og2 n ILE 39 Ca -0.04 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1og2 n ILE 39 Cb 0.40 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 1og2 n ILE 39 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1og2 n GLY 40 N 0.74 2.88 1.37 3.28 0.00 -1.16 -2.28 105.19 110.02 1og2 n GLY 40 Ca 0.06 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1og2 n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1og2 n ASN 41 N 1.55 4.58 0.28 1.61 3.02 -0.40 -1.86 115.26 124.04 1og2 n ASN 41 Ca 0.00 -2.68 0.15 0.00 -0.03 0.00 0.00 54.58 52.02 1og2 n ASN 41 Cb 0.00 -0.56 0.88 0.00 -0.61 0.00 0.00 39.78 39.49 1og2 n ASN 41 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1og2 h ILE 42 N 3.20 0.56 -0.43 2.41 2.10 -1.67 -1.41 117.51 122.27 1og2 h ILE 42 Ca 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.81 1og2 h ILE 42 Cb 1.51 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 38.20 1og2 h ILE 42 CO 0.27 0.00 -0.23 -0.07 -1.08 0.00 0.00 178.15 177.04 1og2 h LEU 43 N 0.00 0.95 -1.06 2.19 4.07 -1.85 -0.18 115.31 119.43 1og2 h LEU 43 Ca 0.01 -0.41 -0.10 0.00 0.08 0.00 0.00 57.88 57.47 1og2 h LEU 43 Cb 0.07 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1og2 h LEU 43 CO -0.00 1.15 -0.46 1.56 -1.08 0.00 0.00 178.44 179.62 1og2 h GLN 44 N 0.75 0.00 0.00 1.13 1.08 -1.64 -3.36 115.11 113.06 1og2 h GLN 44 Ca 0.09 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.15 1og2 h GLN 44 Cb 0.80 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.21 1og2 h GLN 44 CO 0.07 0.46 -1.55 0.44 -0.95 0.00 0.00 178.83 177.29 1og2 n ILE 45 N -3.92 0.55 -4.21 2.54 -5.35 -1.14 -4.95 119.36 102.88 1og2 n ILE 45 Ca -0.01 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1og2 n ILE 45 Cb 0.49 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 1og2 n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1og2 n GLY 46 N 2.82 -1.29 0.00 3.28 0.00 -0.08 -4.58 105.19 105.34 1og2 n GLY 46 Ca -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1og2 n GLY 46 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1og2 n ILE 47 N -0.15 0.00 0.00 -0.61 3.06 -1.26 -4.86 119.36 115.53 1og2 n ILE 47 Ca 0.00 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.76 1og2 n ILE 47 Cb 0.00 1.01 0.00 0.00 0.54 0.00 0.00 39.64 41.19 1og2 n ILE 47 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1og2 n LYS 48 N -0.64 0.00 -2.58 9.51 4.01 -1.26 -3.93 118.16 123.27 1og2 n LYS 48 Ca 0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 1og2 n LYS 48 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 1og2 n LYS 48 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1og2 s ASP 49 N -1.00 6.40 0.41 4.39 3.68 -1.26 -2.10 116.67 127.19 1og2 s ASP 49 Ca 0.00 -1.19 0.22 0.00 2.13 0.00 0.00 52.55 53.71 1og2 s ASP 49 Cb 0.00 -2.56 0.79 0.00 -1.45 0.00 0.00 42.92 39.71 1og2 s ASP 49 CO 0.00 -1.58 1.78 0.16 0.13 0.00 0.00 175.17 175.65 1og2 h ILE 50 N 6.53 0.68 -0.41 4.11 -0.00 -1.81 -3.05 117.51 123.56 1og2 h ILE 50 Ca 0.05 -1.30 -0.08 0.00 -0.00 0.00 0.00 64.86 63.53 1og2 h ILE 50 Cb 1.02 1.85 -0.02 0.00 -0.00 0.00 0.00 36.82 39.68 1og2 h ILE 50 CO 1.37 0.28 -0.09 -1.28 -0.00 0.00 0.00 178.15 178.43 1og2 h SER 51 N 0.00 0.69 -0.72 2.16 0.87 -1.89 -2.10 113.55 112.56 1og2 h SER 51 Ca -0.00 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1og2 h SER 51 Cb 0.83 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1og2 h SER 51 CO 0.04 0.82 0.34 0.50 -0.53 0.00 0.00 176.83 177.99 1og2 h LYS 52 N 0.65 1.05 -0.55 2.24 1.63 -1.94 -2.66 116.57 117.00 1og2 h LYS 52 Ca 0.12 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1og2 h LYS 52 Cb 0.53 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1og2 h LYS 52 CO 0.03 0.83 0.23 0.77 -3.45 0.00 0.00 179.45 177.87 1og2 h SER 53 N 1.02 0.71 0.14 4.20 0.02 -1.44 -2.17 113.55 116.02 1og2 h SER 53 Ca 0.25 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1og2 h SER 53 Cb 0.13 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1og2 h SER 53 CO -0.03 0.62 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.95 1og2 h LEU 54 N 0.78 0.21 -0.04 5.07 3.38 -1.14 -0.69 115.31 122.88 1og2 h LEU 54 Ca 0.19 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1og2 h LEU 54 Cb 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1og2 h LEU 54 CO -0.02 0.49 -0.15 0.74 0.09 0.00 0.00 178.44 179.59 1og2 h THR 55 N 0.19 1.46 -0.48 0.22 2.02 -1.09 -1.56 112.91 113.67 1og2 h THR 55 Ca 0.03 -1.57 0.06 0.00 0.77 0.00 0.00 66.41 65.71 1og2 h THR 55 Cb 0.58 2.37 -0.06 0.00 -1.74 0.00 0.00 68.15 69.31 1og2 h THR 55 CO 0.04 0.43 0.17 0.78 0.37 0.00 0.00 175.52 177.32 1og2 h ASN 56 N -0.37 0.18 -0.43 4.18 2.35 -1.36 -1.73 115.58 118.40 1og2 h ASN 56 Ca -0.01 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1og2 h ASN 56 Cb 0.78 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1og2 h ASN 56 CO 0.03 0.13 0.21 -0.07 -1.65 0.00 0.00 177.43 176.09 1og2 h LEU 57 N 0.35 0.58 -1.46 1.61 3.38 -1.09 -2.14 115.31 116.55 1og2 h LEU 57 Ca 0.23 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1og2 h LEU 57 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1og2 h LEU 57 CO -0.23 0.51 -0.03 0.77 0.09 0.00 0.00 178.44 179.54 1og2 h SER 58 N 0.65 0.29 0.18 -0.43 4.64 -0.40 0.15 113.55 118.62 1og2 h SER 58 Ca 0.16 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1og2 h SER 58 Cb 0.09 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1og2 h SER 58 CO -0.02 0.37 -0.06 0.11 -0.87 0.00 0.00 176.83 176.35 1og2 h LYS 59 N 0.30 0.00 0.00 4.77 6.56 -0.82 -0.39 116.57 127.00 1og2 h LYS 59 Ca 0.07 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.43 1og2 h LYS 59 Cb 0.26 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 1og2 h LYS 59 CO 0.01 0.06 -1.86 1.33 -2.06 0.00 0.00 179.45 176.94 1og2 n VAL 60 N -3.78 0.86 0.83 0.50 0.24 -0.66 -4.71 118.33 111.61 1og2 n VAL 60 Ca -0.02 -0.51 0.09 0.00 -2.04 0.00 0.00 64.34 61.86 1og2 n VAL 60 Cb 0.16 -0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 31.76 1og2 n VAL 60 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1og2 n TYR 61 N -2.52 0.00 -0.50 6.34 4.01 0.43 -5.09 117.16 119.83 1og2 n TYR 61 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1og2 n TYR 61 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1og2 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1og2 n GLY 62 N 1.34 -1.75 0.07 2.72 0.00 -0.16 -4.57 105.19 102.85 1og2 n GLY 62 Ca 0.05 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.21 1og2 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1og2 n PRO 63 N -0.00 0.13 -3.68 1.61 -0.04 -1.26 -4.41 135.00 127.36 1og2 n PRO 63 Ca 0.00 0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 1og2 n PRO 63 Cb 0.00 -1.71 -0.13 0.00 -0.04 0.00 0.00 33.50 31.62 1og2 n PRO 63 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1og2 s VAL 64 N -3.13 1.13 0.29 0.52 1.01 -1.26 -1.35 120.40 117.61 1og2 s VAL 64 Ca 0.08 -2.22 0.10 0.00 0.00 0.00 0.00 61.98 59.95 1og2 s VAL 64 Cb 0.12 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1og2 s VAL 64 CO 0.44 -0.87 -0.06 0.72 0.00 0.00 0.00 175.10 175.33 1og2 s PHE 65 N 0.69 2.51 -0.06 5.22 -0.71 -0.97 -4.27 117.98 120.40 1og2 s PHE 65 Ca 0.16 -0.33 -0.06 0.00 -1.04 0.00 0.00 56.93 55.66 1og2 s PHE 65 Cb -0.23 -1.22 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 1og2 s PHE 65 CO -0.04 0.61 0.20 0.99 -1.34 0.00 0.00 175.22 175.64 1og2 s THR 66 N -2.45 5.41 -0.07 -4.49 2.01 0.21 -0.33 115.64 115.92 1og2 s THR 66 Ca 0.32 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.42 1og2 s THR 66 Cb -0.04 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1og2 s THR 66 CO 0.18 0.49 0.19 -0.22 -0.69 0.00 0.00 174.62 174.57 1og2 s LEU 67 N -1.41 1.18 -0.23 4.42 2.96 0.16 -4.19 118.68 121.57 1og2 s LEU 67 Ca 0.21 0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 54.44 1og2 s LEU 67 Cb -0.13 0.65 -0.03 0.00 0.50 0.00 0.00 46.19 47.18 1og2 s LEU 67 CO 0.11 -0.08 0.06 -0.31 -1.32 0.00 0.00 176.35 174.81 1og2 s TYR 68 N 0.24 3.10 -0.79 5.38 1.51 -1.26 0.09 117.35 125.61 1og2 s TYR 68 Ca -0.01 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 1og2 s TYR 68 Cb -0.02 -2.20 0.21 0.00 -0.11 0.00 0.00 41.96 39.84 1og2 s TYR 68 CO -0.01 -0.27 0.74 -0.06 -1.11 0.00 0.00 175.55 174.84 1og2 s PHE 69 N 1.35 3.70 0.00 2.71 0.08 -0.40 -1.27 117.98 124.15 1og2 s PHE 69 Ca 0.05 -1.91 0.00 0.00 0.12 0.00 0.00 56.93 55.19 1og2 s PHE 69 Cb -0.15 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.49 1og2 s PHE 69 CO 0.03 -0.99 0.00 0.41 -0.10 0.00 0.00 175.22 174.57 1og2 n GLY 70 N 4.12 1.06 0.41 4.36 0.00 -1.21 -2.55 105.19 111.38 1og2 n GLY 70 Ca 0.10 0.50 0.10 0.00 0.00 0.00 0.00 46.02 46.72 1og2 n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1og2 n LEU 71 N 0.00 1.80 -4.69 0.99 4.77 -1.26 -3.42 117.00 115.18 1og2 n LEU 71 Ca 0.00 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 1og2 n LEU 71 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1og2 n LEU 71 CO 0.00 0.34 0.71 -0.75 -1.33 0.00 0.00 177.39 176.36 1og2 s LYS 72 N -2.24 4.42 -0.16 3.23 2.20 -1.06 -5.05 119.74 121.08 1og2 s LYS 72 Ca 0.16 1.28 -0.22 0.00 -0.36 0.00 0.00 55.97 56.83 1og2 s LYS 72 Cb 0.16 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1og2 s LYS 72 CO 0.51 -0.25 0.65 -1.25 -0.36 0.00 0.00 175.35 174.65 1og2 s PRO 73 N 1.82 4.28 -0.15 4.03 0.04 -1.26 -1.28 135.00 142.47 1og2 s PRO 73 Ca 0.46 0.70 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1og2 s PRO 73 Cb -0.18 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 30.83 1og2 s PRO 73 CO 0.18 -0.15 -0.21 0.42 0.04 0.00 0.00 177.00 177.28 1og2 s ILE 74 N 1.59 2.15 -0.36 0.56 -1.09 0.11 -4.14 121.20 120.03 1og2 s ILE 74 Ca 0.31 -0.94 -0.23 0.00 -2.23 0.00 0.00 60.65 57.56 1og2 s ILE 74 Cb -0.16 -1.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.86 1og2 s ILE 74 CO 0.12 0.54 0.78 -0.69 -1.23 0.00 0.00 174.94 174.47 1og2 s VAL 75 N 0.87 4.74 -0.06 2.92 1.01 -0.50 0.39 120.40 129.77 1og2 s VAL 75 Ca -0.06 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 1og2 s VAL 75 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1og2 s VAL 75 CO -0.03 -0.42 0.72 -0.69 0.00 0.00 0.00 175.10 174.68 1og2 s VAL 76 N 3.09 5.03 -0.24 2.92 1.01 0.55 -1.46 120.40 131.30 1og2 s VAL 76 Ca 0.31 1.49 -0.07 0.00 0.00 0.00 0.00 61.98 63.71 1og2 s VAL 76 Cb -0.13 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1og2 s VAL 76 CO 0.16 0.25 0.07 -0.76 0.00 0.00 0.00 175.10 174.82 1og2 s LEU 77 N 0.78 3.49 0.00 3.92 1.43 -0.50 -2.30 118.68 125.50 1og2 s LEU 77 Ca 0.38 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1og2 s LEU 77 Cb -0.18 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1og2 s LEU 77 CO 0.19 0.00 0.00 1.57 0.23 0.00 0.00 176.35 178.34 1og2 n HIS 78 N 4.69 0.00 -1.25 0.29 -0.00 -0.46 -1.96 115.22 116.53 1og2 n HIS 78 Ca -0.16 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.72 1og2 n HIS 78 Cb 0.52 0.00 0.22 0.00 -0.12 0.00 0.00 29.99 30.60 1og2 n HIS 78 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1og2 s GLY 79 N -0.95 1.61 0.22 1.57 0.00 -1.26 -4.51 107.32 104.00 1og2 s GLY 79 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 1og2 s GLY 79 CO 0.00 -0.08 1.72 -1.82 0.00 0.00 0.00 173.10 172.93 1og2 h TYR 80 N -2.29 0.38 -0.51 1.90 3.20 -1.93 -2.20 116.97 115.51 1og2 h TYR 80 Ca -0.46 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 1og2 h TYR 80 Cb 1.29 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1og2 h TYR 80 CO -1.53 0.04 0.28 0.93 -1.64 0.00 0.00 178.16 176.24 1og2 h GLU 81 N 0.37 0.72 -0.23 1.82 4.39 -1.99 0.18 114.58 119.84 1og2 h GLU 81 Ca 0.35 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.84 1og2 h GLU 81 Cb 0.51 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1og2 h GLU 81 CO -0.38 0.57 -0.37 0.00 -1.16 0.00 0.00 179.01 177.67 1og2 h ALA 82 N 1.12 0.36 -0.48 3.43 0.00 -1.86 -0.19 119.26 121.64 1og2 h ALA 82 Ca 0.18 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1og2 h ALA 82 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1og2 h ALA 82 CO -0.03 0.43 0.30 0.28 0.00 0.00 0.00 179.25 180.24 1og2 h VAL 83 N 0.37 1.10 -0.52 0.00 2.07 -1.17 -0.91 116.25 117.18 1og2 h VAL 83 Ca 0.02 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1og2 h VAL 83 Cb 0.96 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1og2 h VAL 83 CO 0.08 0.11 -0.02 0.50 0.02 0.00 0.00 177.57 178.27 1og2 h LYS 84 N 0.62 0.92 -0.18 1.57 1.63 -0.55 0.26 116.57 120.84 1og2 h LYS 84 Ca 0.18 -0.30 -0.04 0.00 -0.85 0.00 0.00 60.65 59.64 1og2 h LYS 84 Cb -0.04 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1og2 h LYS 84 CO -0.05 0.96 -0.07 1.49 -3.45 0.00 0.00 179.45 178.32 1og2 h GLU 85 N 0.79 0.28 0.00 1.90 4.81 -0.64 -1.55 114.58 120.17 1og2 h GLU 85 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1og2 h GLU 85 Cb 0.55 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1og2 h GLU 85 CO 0.03 0.36 -0.35 0.00 -0.73 0.00 0.00 179.01 178.33 1og2 h ALA 86 N 1.67 0.00 -0.20 2.92 0.00 -0.93 -2.20 119.26 120.52 1og2 h ALA 86 Ca 0.06 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1og2 h ALA 86 Cb 0.30 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1og2 h ALA 86 CO 0.01 0.35 -0.23 -0.07 0.00 0.00 0.00 179.25 179.31 1og2 h LEU 87 N -0.98 0.37 0.00 0.00 4.07 -1.04 -2.94 115.31 114.79 1og2 h LEU 87 Ca 0.00 -0.11 -0.26 0.00 0.08 0.00 0.00 57.88 57.59 1og2 h LEU 87 Cb 0.35 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 1og2 h LEU 87 CO 0.00 0.60 -1.82 -0.38 -1.08 0.00 0.00 178.44 175.76 1og2 n ILE 88 N -4.15 1.51 0.08 1.22 5.41 -0.62 -3.98 119.36 118.83 1og2 n ILE 88 Ca -0.00 -0.15 -0.12 0.00 1.00 0.00 0.00 62.75 63.48 1og2 n ILE 88 Cb 0.37 -2.08 -0.04 0.00 -0.71 0.00 0.00 39.64 37.18 1og2 n ILE 88 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1og2 h ASP 89 N -1.00 0.41 -1.48 4.38 3.45 -1.37 -2.87 116.42 117.94 1og2 h ASP 89 Ca -0.40 -0.34 -0.66 0.00 0.43 0.00 0.00 57.03 56.06 1og2 h ASP 89 Cb 1.33 -0.13 -0.34 0.00 -0.56 0.00 0.00 39.33 39.63 1og2 h ASP 89 CO -0.24 1.15 0.20 0.18 -1.57 0.00 0.00 179.24 178.95 1og2 n LEU 90 N -3.69 6.31 -0.19 1.55 7.99 -0.84 -4.89 117.00 123.25 1og2 n LEU 90 Ca -0.05 -4.84 0.01 0.00 -0.01 0.00 0.00 56.01 51.11 1og2 n LEU 90 Cb 0.84 -0.76 0.10 0.00 -0.11 0.00 0.00 43.42 43.49 1og2 n LEU 90 CO 0.50 1.91 0.89 1.23 -1.51 0.00 0.00 177.39 180.40 1og2 h GLY 91 N 2.56 0.71 0.89 -0.72 0.00 -1.41 -1.70 103.07 103.40 1og2 h GLY 91 Ca 0.46 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 1og2 h GLY 91 CO 1.19 -0.14 0.01 0.83 0.00 0.00 0.00 176.54 178.43 1og2 h GLU 92 N 0.20 0.53 0.00 4.80 4.39 -1.88 -2.49 114.58 120.14 1og2 h GLU 92 Ca 0.31 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1og2 h GLU 92 Cb 0.48 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1og2 h GLU 92 CO -0.44 0.66 -0.02 0.93 -1.16 0.00 0.00 179.01 178.98 1og2 h GLU 93 N 0.33 0.00 -0.32 2.33 3.07 -1.68 -2.30 114.58 116.01 1og2 h GLU 93 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1og2 h GLU 93 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1og2 h GLU 93 CO 0.01 0.02 0.00 1.19 -1.40 0.00 0.00 179.01 178.83 1og2 n PHE 94 N -4.02 0.80 0.35 4.33 3.72 -0.81 -0.66 117.46 121.17 1og2 n PHE 94 Ca -0.03 -0.72 0.14 0.00 -0.05 0.00 0.00 57.45 56.79 1og2 n PHE 94 Cb 0.10 -0.21 0.44 0.00 -0.94 0.00 0.00 39.48 38.88 1og2 n PHE 94 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1og2 h SER 95 N 2.02 0.00 -4.08 4.37 4.64 -0.94 -3.41 113.55 116.15 1og2 h SER 95 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1og2 h SER 95 Cb 1.18 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.38 1og2 h SER 95 CO 0.14 0.00 0.48 -0.83 -0.87 0.00 0.00 176.83 175.76 1og2 s GLY 96 N -3.95 2.75 -0.08 -0.77 0.00 -0.85 -4.84 107.32 99.58 1og2 s GLY 96 Ca 0.05 1.02 -0.08 0.00 0.00 0.00 0.00 44.72 45.71 1og2 s GLY 96 CO 0.56 1.42 0.20 -1.60 0.00 0.00 0.00 173.10 173.69 1og2 s ARG 97 N -3.21 3.53 0.03 2.90 6.06 -1.26 -0.67 118.95 126.32 1og2 s ARG 97 Ca 0.75 -0.06 0.08 0.00 -2.50 0.00 0.00 55.73 54.00 1og2 s ARG 97 Cb -0.31 -3.17 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 1og2 s ARG 97 CO 0.34 0.74 -0.24 0.20 -2.50 0.00 0.00 175.30 173.84 1og2 s GLY 98 N -1.21 1.26 -0.16 8.12 0.00 -0.84 -4.56 107.32 109.93 1og2 s GLY 98 Ca 0.19 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1og2 s GLY 98 CO 0.08 -1.03 -0.18 -0.42 0.00 0.00 0.00 173.10 171.55 1og2 s ILE 99 N -0.75 2.37 0.58 0.90 1.01 -1.26 -4.40 121.20 119.66 1og2 s ILE 99 Ca 0.10 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 1og2 s ILE 99 Cb -0.09 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1og2 s ILE 99 CO 0.01 0.53 1.03 -0.36 0.00 0.00 0.00 174.94 176.15 1og2 s PHE 100 N 0.93 3.18 0.21 3.97 0.40 -1.26 -4.86 117.98 120.56 1og2 s PHE 100 Ca -0.04 1.48 -0.14 0.00 -0.60 0.00 0.00 56.93 57.63 1og2 s PHE 100 Cb -0.15 -2.91 0.25 0.00 0.51 0.00 0.00 43.02 40.72 1og2 s PHE 100 CO -0.03 -0.86 1.40 -2.30 0.70 0.00 0.00 175.22 174.13 1og2 n PRO 101 N -2.01 -0.19 -0.22 0.24 -0.02 -1.26 -1.87 135.00 129.66 1og2 n PRO 101 Ca 0.08 1.39 -0.06 0.00 -2.02 0.00 0.00 63.50 62.89 1og2 n PRO 101 Cb 0.53 -2.06 0.04 0.00 -0.02 0.00 0.00 33.50 31.99 1og2 n PRO 101 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1og2 h LEU 102 N 0.00 0.72 -0.68 2.45 7.12 -1.92 -2.46 115.31 120.53 1og2 h LEU 102 Ca 0.33 -0.02 -0.10 0.00 0.13 0.00 0.00 57.88 58.22 1og2 h LEU 102 Cb 0.56 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 1og2 h LEU 102 CO -0.90 0.52 -0.07 0.00 -0.13 0.00 0.00 178.44 177.86 1og2 h ALA 103 N 1.24 0.88 -0.37 1.25 0.00 -1.76 -1.23 119.26 119.27 1og2 h ALA 103 Ca 0.23 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1og2 h ALA 103 Cb -0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1og2 h ALA 103 CO -0.05 0.65 -0.02 1.49 0.00 0.00 0.00 179.25 181.31 1og2 h GLU 104 N 0.86 0.07 0.00 0.00 4.81 -0.96 -2.09 114.58 117.28 1og2 h GLU 104 Ca 0.15 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1og2 h GLU 104 Cb 0.60 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1og2 h GLU 104 CO 0.04 0.05 -0.61 0.00 -0.73 0.00 0.00 179.01 177.76 1og2 h ARG 105 N 0.08 0.00 -0.01 1.92 2.47 -1.24 -3.25 114.38 114.35 1og2 h ARG 105 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1og2 h ARG 105 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1og2 h ARG 105 CO -0.32 0.61 -0.09 0.00 0.56 0.00 0.00 179.97 180.72 1og2 n ALA 106 N -2.41 2.76 -3.98 0.04 0.00 -0.48 -4.76 120.51 111.67 1og2 n ALA 106 Ca -0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 1og2 n ALA 106 Cb 0.61 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 1og2 n ALA 106 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1og2 s ASN 107 N -2.22 4.17 -0.51 0.00 -0.87 -0.82 -4.42 114.94 110.27 1og2 s ASN 107 Ca 0.33 -1.38 -0.16 0.00 -1.57 0.00 0.00 52.86 50.08 1og2 s ASN 107 Cb 0.20 -1.34 0.10 0.00 -0.02 0.00 0.00 41.25 40.19 1og2 s ASN 107 CO 0.41 -0.24 0.45 -0.13 -2.57 0.00 0.00 177.10 175.02 1og2 s ARG 108 N 1.25 2.99 0.00 -0.60 3.00 -1.26 -4.91 118.95 119.41 1og2 s ARG 108 Ca -0.04 -1.53 0.00 0.00 0.00 0.00 0.00 55.73 54.15 1og2 s ARG 108 Cb -0.19 -4.22 0.00 0.00 0.00 0.00 0.00 34.95 30.54 1og2 s ARG 108 CO -0.07 -1.18 0.00 0.41 0.00 0.00 0.00 175.30 174.46 1og2 n GLY 109 N 5.23 2.09 3.46 -3.53 0.00 -1.26 -5.08 105.19 106.10 1og2 n GLY 109 Ca -0.13 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1og2 n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1og2 s PHE 110 N -0.94 2.69 0.00 1.61 0.08 -1.26 -5.01 117.98 115.15 1og2 s PHE 110 Ca 0.00 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1og2 s PHE 110 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1og2 s PHE 110 CO 0.00 0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.69 1og2 n GLY 111 N 2.37 -0.04 1.02 4.36 0.00 -1.26 -4.80 105.19 106.84 1og2 n GLY 111 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1og2 n GLY 111 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1og2 n ILE 112 N -1.47 0.00 0.06 -0.61 3.06 -1.26 -4.60 119.36 114.53 1og2 n ILE 112 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1og2 n ILE 112 Cb 0.00 -0.43 0.32 0.00 0.54 0.00 0.00 39.64 40.07 1og2 n ILE 112 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 1og2 h VAL 113 N 0.00 1.21 -0.00 9.51 2.07 -1.97 -3.24 116.25 123.83 1og2 h VAL 113 Ca 0.00 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1og2 h VAL 113 Cb 0.19 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1og2 h VAL 113 CO 0.00 0.29 0.00 0.49 0.02 0.00 0.00 177.57 178.37 1og2 n PHE 114 N -4.24 0.00 -1.49 1.57 0.99 -1.26 -4.95 117.46 108.08 1og2 n PHE 114 Ca 0.00 -0.06 -0.30 0.00 -0.00 0.00 0.00 57.45 57.09 1og2 n PHE 114 Cb 0.29 -0.01 0.10 0.00 -1.00 0.00 0.00 39.48 38.87 1og2 n PHE 114 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1og2 s SER 115 N -0.14 4.25 0.29 4.37 0.01 -1.22 -4.95 113.70 116.31 1og2 s SER 115 Ca 0.00 1.32 -0.01 0.00 1.31 0.00 0.00 55.95 58.57 1og2 s SER 115 Cb 0.00 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 1og2 s SER 115 CO 0.00 -2.12 0.33 0.20 0.41 0.00 0.00 173.24 172.06 1og2 s ASN 116 N -3.83 0.76 0.81 2.44 0.01 -1.26 -4.53 114.94 109.34 1og2 s ASN 116 Ca 0.61 -1.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 1og2 s ASN 116 Cb -0.15 0.55 0.00 0.00 0.41 0.00 0.00 41.25 42.05 1og2 s ASN 116 CO 0.55 -1.09 0.00 0.61 -1.51 0.00 0.00 177.10 175.66 1og2 n GLY 117 N -0.47 1.00 0.26 0.66 0.00 -1.26 -2.35 105.19 103.02 1og2 n GLY 117 Ca 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1og2 n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og2 h LYS 118 N 0.00 0.28 -0.08 1.61 6.56 -2.00 -0.70 116.57 122.24 1og2 h LYS 118 Ca 0.00 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1og2 h LYS 118 Cb 0.00 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 1og2 h LYS 118 CO 0.00 0.35 -0.01 -0.22 -2.06 0.00 0.00 179.45 177.51 1og2 h LYS 119 N 0.27 0.01 0.16 3.15 3.64 -1.96 -1.48 116.57 120.37 1og2 h LYS 119 Ca 0.06 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1og2 h LYS 119 Cb 0.27 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1og2 h LYS 119 CO 0.01 0.01 -0.08 2.35 -2.27 0.00 0.00 179.45 179.47 1og2 h TRP 120 N 0.01 -0.20 -1.00 1.91 7.01 -1.17 -2.37 115.95 120.14 1og2 h TRP 120 Ca 0.04 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.22 1og2 h TRP 120 Cb 0.05 0.07 -0.11 0.00 -2.10 0.00 0.00 29.16 27.07 1og2 h TRP 120 CO -0.12 0.03 0.61 0.87 -2.79 0.00 0.00 178.44 177.04 1og2 h LYS 121 N -0.42 0.74 0.06 2.65 1.79 -0.97 -0.25 116.57 120.17 1og2 h LYS 121 Ca -0.02 -0.04 -0.33 0.00 -2.18 0.00 0.00 60.65 58.08 1og2 h LYS 121 Cb 0.33 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1og2 h LYS 121 CO 0.04 0.49 -1.85 0.39 -1.08 0.00 0.00 179.45 177.43 1og2 n GLU 122 N -4.76 0.69 0.04 3.15 1.02 -0.57 -2.64 120.64 117.58 1og2 n GLU 122 Ca 0.23 0.28 -0.15 0.00 -0.02 0.00 0.00 57.16 57.50 1og2 n GLU 122 Cb 0.57 -1.75 -0.05 0.00 -0.02 0.00 0.00 31.44 30.20 1og2 n GLU 122 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1og2 h ILE 123 N 0.03 1.35 -0.45 -3.67 2.04 -1.16 -2.47 117.51 113.18 1og2 h ILE 123 Ca -0.35 -2.25 -0.07 0.00 1.00 0.00 0.00 64.86 63.18 1og2 h ILE 123 Cb 2.03 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 40.36 1og2 h ILE 123 CO 0.08 0.69 -0.01 -0.09 0.00 0.00 0.00 178.15 178.82 1og2 h ARG 124 N 0.33 0.80 -0.42 2.37 2.43 -1.17 -0.58 114.38 118.15 1og2 h ARG 124 Ca -0.08 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1og2 h ARG 124 Cb 1.52 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1og2 h ARG 124 CO 0.16 0.87 0.27 -0.09 -1.51 0.00 0.00 179.97 179.67 1og2 h ARG 125 N 0.64 0.55 -0.66 0.20 2.43 -1.55 -2.02 114.38 113.97 1og2 h ARG 125 Ca 0.13 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1og2 h ARG 125 Cb 0.51 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1og2 h ARG 125 CO 0.03 0.38 0.41 0.35 -1.51 0.00 0.00 179.97 179.63 1og2 h PHE 126 N 0.56 0.78 -0.45 2.20 3.04 -1.03 -2.84 116.94 119.20 1og2 h PHE 126 Ca 0.15 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.01 1og2 h PHE 126 Cb -0.05 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 1og2 h PHE 126 CO -0.04 0.45 -0.17 0.77 -2.02 0.00 0.00 178.31 177.30 1og2 h SER 127 N 0.82 0.93 -0.83 0.41 0.02 -0.68 -2.49 113.55 111.73 1og2 h SER 127 Ca 0.26 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1og2 h SER 127 Cb 0.00 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 1og2 h SER 127 CO -0.10 1.10 0.42 -0.07 -1.14 0.00 0.00 176.83 177.04 1og2 h LEU 128 N 0.75 1.07 -0.29 5.07 3.38 -1.30 -0.41 115.31 123.59 1og2 h LEU 128 Ca 0.11 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1og2 h LEU 128 Cb 0.73 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1og2 h LEU 128 CO 0.06 0.89 -0.26 -0.03 0.09 0.00 0.00 178.44 179.19 1og2 h MET 129 N 1.17 -0.23 0.00 1.13 4.05 -1.25 -2.42 114.93 117.37 1og2 h MET 129 Ca 0.29 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1og2 h MET 129 Cb 0.09 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1og2 h MET 129 CO -0.04 -0.16 0.00 1.79 0.23 0.00 0.00 176.91 178.73 1og2 h THR 130 N -0.24 0.00 -0.01 -0.77 1.35 -1.02 -3.08 112.91 109.14 1og2 h THR 130 Ca 0.15 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1og2 h THR 130 Cb 0.48 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1og2 h THR 130 CO -0.42 0.00 -0.25 0.18 -0.25 0.00 0.00 175.52 174.77 1og2 n LEU 131 N -2.34 0.80 -4.72 3.87 4.77 -0.20 -4.50 117.00 114.68 1og2 n LEU 131 Ca 0.05 -0.15 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 1og2 n LEU 131 Cb 0.44 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1og2 n LEU 131 CO 0.31 0.15 0.80 -0.13 -1.33 0.00 0.00 177.39 177.19 1og2 s ARG 132 N -2.58 2.02 0.17 3.23 0.52 -0.95 -4.91 118.95 116.47 1og2 s ARG 132 Ca 0.23 1.79 -0.18 0.00 -0.52 0.00 0.00 55.73 57.05 1og2 s ARG 132 Cb 0.19 -1.82 0.11 0.00 0.52 0.00 0.00 34.95 33.96 1og2 s ARG 132 CO 0.54 -1.93 1.64 -0.97 0.02 0.00 0.00 175.30 174.59 1og2 h ASN 133 N -0.40 -0.65 -2.07 0.23 -0.00 -1.91 -2.35 115.58 108.43 1og2 h ASN 133 Ca -0.48 0.16 -0.68 0.00 -0.00 0.00 0.00 56.30 55.31 1og2 h ASN 133 Cb 1.30 0.36 -0.36 0.00 -0.00 0.00 0.00 38.32 39.62 1og2 h ASN 133 CO 0.49 -0.22 0.05 0.49 -0.00 0.00 0.00 177.43 178.24 1og2 n PHE 134 N -5.38 3.42 0.60 0.67 3.72 -1.26 -1.31 117.46 117.92 1og2 n PHE 134 Ca 0.03 -3.18 0.09 0.00 -0.05 0.00 0.00 57.45 54.34 1og2 n PHE 134 Cb 0.29 -0.70 0.10 0.00 -0.94 0.00 0.00 39.48 38.23 1og2 n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1og2 n GLY 135 N -0.29 0.71 2.71 1.37 0.00 -0.89 -4.79 105.19 104.02 1og2 n GLY 135 Ca 0.40 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1og2 n GLY 135 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1og2 n MET 136 N 1.04 0.30 0.00 1.61 -0.00 -1.26 -4.50 117.12 114.30 1og2 n MET 136 Ca 0.12 -1.34 0.00 0.00 -0.00 0.00 0.00 57.70 56.48 1og2 n MET 136 Cb 0.46 -0.58 0.00 0.00 -0.00 0.00 0.00 33.22 33.11 1og2 n MET 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1og2 n GLY 137 N 2.74 -0.94 0.07 3.17 0.00 -1.22 -4.44 105.19 104.57 1og2 n GLY 137 Ca 0.14 -2.15 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 1og2 n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og2 h LYS 138 N 2.88 0.02 -6.12 1.61 1.79 -1.93 -3.45 116.57 111.38 1og2 h LYS 138 Ca 0.00 -0.04 -0.56 0.00 -2.18 0.00 0.00 60.65 57.88 1og2 h LYS 138 Cb 0.00 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 1og2 h LYS 138 CO 0.00 1.00 0.23 0.50 -1.08 0.00 0.00 179.45 180.10 1og2 s ARG 139 N -2.75 4.44 0.42 3.15 3.52 -1.26 -5.06 118.95 121.42 1og2 s ARG 139 Ca 0.01 1.06 -0.08 0.00 -0.13 0.00 0.00 55.73 56.58 1og2 s ARG 139 Cb 0.10 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1og2 s ARG 139 CO 0.82 -0.05 0.76 -1.54 -0.81 0.00 0.00 175.30 174.48 1og2 s SER 140 N 0.93 6.42 0.28 -2.12 1.04 -1.26 -4.78 113.70 114.22 1og2 s SER 140 Ca 0.42 1.03 0.02 0.00 0.48 0.00 0.00 55.95 57.89 1og2 s SER 140 Cb -0.18 -2.28 0.64 0.00 0.10 0.00 0.00 66.02 64.29 1og2 s SER 140 CO 0.20 -0.45 1.74 0.40 0.98 0.00 0.00 173.24 176.11 1og2 h ILE 141 N 0.80 0.64 -0.76 -1.02 1.08 -1.46 -2.17 117.51 114.62 1og2 h ILE 141 Ca -0.47 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 63.77 1og2 h ILE 141 Cb 1.19 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1og2 h ILE 141 CO 0.63 0.10 0.33 -0.08 -0.69 0.00 0.00 178.15 178.45 1og2 h GLU 142 N 0.57 1.12 -0.22 2.37 4.81 -1.93 -0.45 114.58 120.85 1og2 h GLU 142 Ca 0.52 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1og2 h GLU 142 Cb 0.84 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1og2 h GLU 142 CO -0.42 0.90 -0.27 0.22 -0.73 0.00 0.00 179.01 178.70 1og2 h ASP 143 N 1.09 0.43 0.25 1.04 1.82 -1.80 0.71 116.42 119.96 1og2 h ASP 143 Ca 0.26 -0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1og2 h ASP 143 Cb 0.18 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1og2 h ASP 143 CO -0.03 0.70 -0.20 0.03 -1.61 0.00 0.00 179.24 178.14 1og2 h ARG 144 N 0.38 -0.44 -0.83 0.28 3.08 -0.82 -1.75 114.38 114.28 1og2 h ARG 144 Ca 0.05 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1og2 h ARG 144 Cb 0.68 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1og2 h ARG 144 CO 0.05 -0.29 0.41 0.28 -1.07 0.00 0.00 179.97 179.35 1og2 h VAL 145 N -0.45 1.26 -0.82 2.04 2.07 -0.32 -1.82 116.25 118.20 1og2 h VAL 145 Ca -0.01 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1og2 h VAL 145 Cb 0.40 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1og2 h VAL 145 CO -0.01 0.30 0.47 1.56 0.02 0.00 0.00 177.57 179.91 1og2 h GLN 146 N 1.18 1.14 -0.39 1.57 4.20 -0.87 0.05 115.11 121.99 1og2 h GLN 146 Ca 0.29 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1og2 h GLN 146 Cb 0.10 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1og2 h GLN 146 CO -0.04 0.82 0.26 1.49 -0.67 0.00 0.00 178.83 180.69 1og2 h GLU 147 N 1.14 0.51 -1.00 1.46 4.81 -0.84 -2.04 114.58 118.62 1og2 h GLU 147 Ca 0.29 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1og2 h GLU 147 Cb 0.00 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 1og2 h GLU 147 CO -0.05 0.34 0.66 1.49 -0.73 0.00 0.00 179.01 180.72 1og2 h GLU 148 N 0.53 1.25 0.17 1.92 4.57 -0.94 -2.66 114.58 119.42 1og2 h GLU 148 Ca 0.14 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1og2 h GLU 148 Cb -0.06 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.25 1og2 h GLU 148 CO -0.03 0.83 -0.08 0.00 -1.18 0.00 0.00 179.01 178.55 1og2 h ALA 149 N 1.40 -0.22 0.00 2.92 0.00 -0.30 0.17 119.26 123.23 1og2 h ALA 149 Ca 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1og2 h ALA 149 Cb -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1og2 h ALA 149 CO -0.12 -0.61 -0.05 0.07 0.00 0.00 0.00 179.25 178.54 1og2 h ARG 150 N -0.24 0.00 -0.02 0.00 0.11 -1.37 -1.34 114.38 111.51 1og2 h ARG 150 Ca -0.02 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.82 1og2 h ARG 150 Cb 0.19 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.28 1og2 h ARG 150 CO 0.04 0.05 -0.96 0.00 0.10 0.00 0.00 179.97 179.20 1og2 h LEU 152 N 0.34 0.56 -0.36 0.00 6.46 -0.08 -0.82 115.31 121.42 1og2 h LEU 152 Ca -0.10 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 1og2 h LEU 152 Cb 1.60 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.45 1og2 h LEU 152 CO 0.18 0.35 -0.14 0.58 -0.62 0.00 0.00 178.44 178.79 1og2 h VAL 153 N 0.70 1.28 -0.55 1.05 2.07 -1.27 -2.15 116.25 117.38 1og2 h VAL 153 Ca 0.33 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1og2 h VAL 153 Cb 0.25 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1og2 h VAL 153 CO -0.21 0.41 0.32 -0.08 0.02 0.00 0.00 177.57 178.02 1og2 h GLU 154 N 0.52 0.60 0.00 1.57 4.57 -0.99 -1.36 114.58 119.49 1og2 h GLU 154 Ca 0.08 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1og2 h GLU 154 Cb 0.67 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1og2 h GLU 154 CO 0.05 0.40 -0.42 0.93 -1.18 0.00 0.00 179.01 178.78 1og2 h GLU 155 N 0.62 0.00 0.00 1.92 4.39 -1.08 -1.47 114.58 118.96 1og2 h GLU 155 Ca 0.23 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 1og2 h GLU 155 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1og2 h GLU 155 CO -0.12 0.42 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.83 1og2 h LEU 156 N 0.00 0.00 -0.42 1.33 3.38 -1.07 -2.77 115.31 115.75 1og2 h LEU 156 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1og2 h LEU 156 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1og2 h LEU 156 CO 0.05 0.25 -0.44 -0.09 0.09 0.00 0.00 178.44 178.31 1og2 h ARG 157 N 0.00 0.00 0.00 1.13 2.43 -0.25 -2.71 114.38 114.97 1og2 h ARG 157 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1og2 h ARG 157 Cb 1.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1og2 h ARG 157 CO 0.03 0.44 -0.19 0.87 -1.51 0.00 0.00 179.97 179.61 1og2 h LYS 158 N 0.00 0.00 0.00 0.20 1.57 -1.06 -3.02 116.57 114.25 1og2 h LYS 158 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1og2 h LYS 158 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1og2 h LYS 158 CO 0.06 0.19 0.00 0.25 -0.57 0.00 0.00 179.45 179.38 1og2 n THR 159 N -4.30 1.18 -3.30 -0.16 -2.24 -1.02 -4.85 114.28 99.59 1og2 n THR 159 Ca -0.02 0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.81 1og2 n THR 159 Cb 0.26 -1.17 0.03 0.00 -2.10 0.00 0.00 70.33 67.35 1og2 n THR 159 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1og2 n LYS 160 N -1.40 -4.99 -2.73 -0.78 5.02 -1.14 -2.33 118.16 109.82 1og2 n LYS 160 Ca 0.03 0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 56.85 1og2 n LYS 160 Cb 0.07 -5.60 0.01 0.00 -0.02 0.00 0.00 35.03 29.50 1og2 n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1og2 n ALA 161 N -3.88 -0.81 -2.41 7.82 0.00 -1.25 -4.97 120.51 115.01 1og2 n ALA 161 Ca -0.05 0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 1og2 n ALA 161 Cb 0.58 -2.99 -0.13 0.00 0.00 0.00 0.00 19.45 16.91 1og2 n ALA 161 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1og2 s SER 162 N -2.38 3.26 0.31 0.00 1.04 -0.98 -4.75 113.70 110.21 1og2 s SER 162 Ca 0.16 -0.76 -0.26 0.00 0.48 0.00 0.00 55.95 55.56 1og2 s SER 162 Cb -0.07 -0.22 -0.14 0.00 0.10 0.00 0.00 66.02 65.69 1og2 s SER 162 CO 0.19 0.16 0.80 -0.81 0.98 0.00 0.00 173.24 174.56 1og2 n PRO 163 N 0.85 0.88 -3.54 4.02 -0.04 -1.26 -4.57 135.00 131.34 1og2 n PRO 163 Ca -0.18 0.31 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 1og2 n PRO 163 Cb 0.53 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1og2 n PRO 163 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1og2 s ASP 165 N -1.07 6.31 0.00 0.00 3.68 -1.26 -1.93 116.67 122.40 1og2 s ASP 165 Ca -0.08 -0.19 0.25 0.00 2.13 0.00 0.00 52.55 54.66 1og2 s ASP 165 Cb -0.00 -2.28 1.37 0.00 -1.45 0.00 0.00 42.92 40.55 1og2 s ASP 165 CO 0.07 -0.59 1.85 -0.81 0.13 0.00 0.00 175.17 175.83 1og2 n PRO 166 N 5.89 0.54 -0.32 4.34 -0.04 -1.26 -4.14 135.00 140.01 1og2 n PRO 166 Ca -0.04 0.03 0.18 0.00 -0.04 0.00 0.00 63.50 63.64 1og2 n PRO 166 Cb 0.48 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.83 1og2 n PRO 166 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1og2 h THR 167 N 0.00 0.38 0.00 0.52 2.02 -1.93 -1.83 112.91 112.07 1og2 h THR 167 Ca 0.00 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1og2 h THR 167 Cb 0.13 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1og2 h THR 167 CO 0.00 0.07 -0.02 0.15 0.37 0.00 0.00 175.52 176.08 1og2 h PHE 168 N 0.36 0.00 -0.04 3.16 3.04 -1.99 -2.48 116.94 118.98 1og2 h PHE 168 Ca 0.65 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.63 1og2 h PHE 168 Cb 1.36 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.83 1og2 h PHE 168 CO -0.09 0.55 -0.16 0.82 -2.02 0.00 0.00 178.31 177.41 1og2 h ILE 169 N -1.00 0.60 -0.63 1.41 2.04 -1.76 -0.80 117.51 117.37 1og2 h ILE 169 Ca -0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1og2 h ILE 169 Cb 0.55 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1og2 h ILE 169 CO -0.00 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.50 1og2 h LEU 170 N -0.24 0.35 -1.02 1.44 4.07 -1.50 -1.98 115.31 116.43 1og2 h LEU 170 Ca 0.07 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 1og2 h LEU 170 Cb 0.33 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1og2 h LEU 170 CO -0.18 0.20 0.00 1.23 -1.08 0.00 0.00 178.44 178.61 1og2 h GLY 171 N 0.39 0.75 1.18 0.83 0.00 -0.70 -3.30 103.07 102.22 1og2 h GLY 171 Ca 0.30 -0.48 -0.19 0.00 0.00 0.00 0.00 47.33 46.96 1og2 h GLY 171 CO -0.08 0.45 -0.57 0.00 0.00 0.00 0.00 176.54 176.34 1og2 h ALA 173 N 0.69 -0.04 -0.63 0.00 0.00 -1.61 0.55 119.26 118.23 1og2 h ALA 173 Ca 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1og2 h ALA 173 Cb 1.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1og2 h ALA 173 CO 0.12 -0.54 0.15 -1.35 0.00 0.00 0.00 179.25 177.63 1og2 h PRO 174 N -0.09 1.00 -0.69 0.00 0.11 -1.72 -2.24 132.00 128.37 1og2 h PRO 174 Ca 0.03 -0.24 0.03 0.00 0.11 0.00 0.00 66.00 65.93 1og2 h PRO 174 Cb 0.13 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 1og2 h PRO 174 CO -0.07 0.91 0.42 0.00 -0.21 0.00 0.00 178.00 179.05 1og2 h ASN 176 N 0.82 0.00 -0.42 0.00 -0.73 -0.64 0.51 115.58 115.11 1og2 h ASN 176 Ca 0.28 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.31 1og2 h ASN 176 Cb 0.05 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 1og2 h ASN 176 CO -0.12 0.21 -0.29 0.58 -0.37 0.00 0.00 177.43 177.44 1og2 h VAL 177 N 0.00 1.27 -0.29 2.57 2.07 -0.85 -0.79 116.25 120.22 1og2 h VAL 177 Ca -0.00 -1.45 -0.13 0.00 0.82 0.00 0.00 66.70 65.93 1og2 h VAL 177 Cb 0.51 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1og2 h VAL 177 CO 0.03 0.49 -0.33 0.40 0.02 0.00 0.00 177.57 178.18 1og2 h ILE 178 N 0.80 1.30 -0.59 4.57 5.03 -1.03 -1.08 117.51 126.51 1og2 h ILE 178 Ca 0.09 -1.51 0.12 0.00 -0.12 0.00 0.00 64.86 63.44 1og2 h ILE 178 Cb 0.87 1.59 -0.09 0.00 -3.03 0.00 0.00 36.82 36.16 1og2 h ILE 178 CO 0.08 0.49 0.07 0.00 -0.68 0.00 0.00 178.15 178.10 1og2 h SER 180 N 0.19 0.08 0.37 0.00 0.87 -1.02 0.13 113.55 114.16 1og2 h SER 180 Ca 0.31 -0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.62 1og2 h SER 180 Cb 0.48 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1og2 h SER 180 CO -0.45 0.59 -0.87 0.40 -0.53 0.00 0.00 176.83 175.97 1og2 h ILE 181 N 0.06 1.41 0.08 2.23 2.04 -0.12 -1.26 117.51 121.96 1og2 h ILE 181 Ca -0.00 -2.40 -0.32 0.00 1.00 0.00 0.00 64.86 63.14 1og2 h ILE 181 Cb 0.94 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 1og2 h ILE 181 CO 0.07 0.71 -1.75 0.40 0.00 0.00 0.00 178.15 177.58 1og2 h ILE 182 N 0.22 0.87 -0.25 -0.67 1.08 -0.82 -1.46 117.51 116.48 1og2 h ILE 182 Ca -0.06 -2.60 0.00 0.00 -0.39 0.00 0.00 64.86 61.81 1og2 h ILE 182 Cb 1.48 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.80 1og2 h ILE 182 CO 0.15 0.75 0.00 0.49 -0.69 0.00 0.00 178.15 178.85 1og2 n PHE 183 N -3.34 0.42 -0.21 1.37 0.99 0.43 -3.31 117.46 113.81 1og2 n PHE 183 Ca -0.22 -0.58 0.00 0.00 -0.00 0.00 0.00 57.45 56.65 1og2 n PHE 183 Cb 1.05 -0.08 0.00 0.00 -1.00 0.00 0.00 39.48 39.45 1og2 n PHE 183 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 1og2 n HIS 184 N 0.06 0.00 -3.31 1.38 -0.00 -0.48 -4.87 115.22 108.00 1og2 n HIS 184 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.82 1og2 n HIS 184 Cb 0.47 -1.08 -0.04 0.00 -0.00 0.00 0.00 29.99 29.34 1og2 n HIS 184 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1og2 s LYS 185 N -0.35 0.50 1.01 1.57 2.20 -1.22 -4.93 119.74 118.52 1og2 s LYS 185 Ca 0.00 0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 56.47 1og2 s LYS 185 Cb 0.00 0.35 0.20 0.00 -1.51 0.00 0.00 37.83 36.87 1og2 s LYS 185 CO 0.00 -0.53 1.08 -0.98 -0.36 0.00 0.00 175.35 174.56 1og2 s ARG 186 N 2.77 0.28 -0.04 4.03 1.70 -1.26 -4.36 118.95 122.07 1og2 s ARG 186 Ca 0.13 1.10 0.00 0.00 -0.47 0.00 0.00 55.73 56.49 1og2 s ARG 186 Cb -0.14 -1.67 -0.03 0.00 -0.57 0.00 0.00 34.95 32.53 1og2 s ARG 186 CO -0.19 -2.99 -0.01 -0.06 -1.08 0.00 0.00 175.30 170.97 1og2 s PHE 187 N -2.64 3.08 0.47 5.89 0.40 -1.26 -4.99 117.98 118.93 1og2 s PHE 187 Ca 0.67 0.11 -0.22 0.00 -0.60 0.00 0.00 56.93 56.89 1og2 s PHE 187 Cb -0.23 -1.72 -0.09 0.00 0.51 0.00 0.00 43.02 41.49 1og2 s PHE 187 CO 0.60 0.44 0.87 -3.47 0.70 0.00 0.00 175.22 174.36 1og2 n ASP 188 N 1.80 0.54 0.00 1.36 -0.08 -1.26 -4.86 116.55 114.04 1og2 n ASP 188 Ca -0.17 0.93 0.08 0.00 -1.51 0.00 0.00 54.79 54.13 1og2 n ASP 188 Cb 0.53 -1.30 0.46 0.00 2.34 0.00 0.00 41.12 43.15 1og2 n ASP 188 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1og2 n TYR 189 N -0.94 0.00 0.15 -0.67 0.53 -1.26 -2.07 117.16 112.89 1og2 n TYR 189 Ca 0.11 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 57.08 1og2 n TYR 189 Cb 0.42 -0.18 -0.13 0.00 -1.03 0.00 0.00 39.34 38.42 1og2 n TYR 189 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 1og2 n LYS 190 N -1.18 0.69 -1.60 -0.72 4.01 -1.26 -4.79 118.16 113.31 1og2 n LYS 190 Ca 0.10 -0.13 -0.58 0.00 -0.51 0.00 0.00 58.31 57.18 1og2 n LYS 190 Cb 0.11 -1.40 -0.08 0.00 -0.51 0.00 0.00 35.03 33.15 1og2 n LYS 190 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1og2 n ASP 191 N -1.97 1.01 0.16 4.39 4.64 -0.88 -4.87 116.55 119.04 1og2 n ASP 191 Ca -0.02 1.14 0.02 0.00 -1.38 0.00 0.00 54.79 54.55 1og2 n ASP 191 Cb 0.42 -1.02 0.26 0.00 -1.04 0.00 0.00 41.12 39.74 1og2 n ASP 191 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 1og2 h GLN 192 N 4.38 0.00 -0.28 -0.67 5.75 -1.93 -2.44 115.11 119.92 1og2 h GLN 192 Ca -0.48 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.08 1og2 h GLN 192 Cb 1.38 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.87 1og2 h GLN 192 CO 0.79 0.49 -0.11 1.96 -2.65 0.00 0.00 178.83 179.31 1og2 h GLN 193 N 0.00 -0.06 -0.30 1.69 4.20 -1.96 -2.63 115.11 116.04 1og2 h GLN 193 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1og2 h GLN 193 Cb 0.96 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1og2 h GLN 193 CO 0.06 -0.04 0.16 0.35 -0.67 0.00 0.00 178.83 178.69 1og2 h PHE 194 N -0.06 0.42 0.00 2.96 3.04 -1.82 -2.59 116.94 118.89 1og2 h PHE 194 Ca 0.14 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1og2 h PHE 194 Cb 0.28 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1og2 h PHE 194 CO -0.31 0.36 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.07 1og2 h LEU 195 N 0.37 0.00 -0.09 0.59 3.38 -1.34 -0.83 115.31 117.39 1og2 h LEU 195 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1og2 h LEU 195 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1og2 h LEU 195 CO -0.02 0.20 -0.56 0.78 0.09 0.00 0.00 178.44 178.93 1og2 h ASN 196 N 0.00 0.65 -0.70 -0.43 -0.26 -1.21 0.69 115.58 114.31 1og2 h ASN 196 Ca -0.00 -0.66 -0.04 0.00 -0.56 0.00 0.00 56.30 55.04 1og2 h ASN 196 Cb 0.39 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 1og2 h ASN 196 CO 0.03 1.21 0.28 0.25 -1.06 0.00 0.00 177.43 178.13 1og2 h LEU 197 N 0.14 0.99 -0.07 1.61 5.85 -1.36 -1.48 115.31 121.00 1og2 h LEU 197 Ca -0.04 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1og2 h LEU 197 Cb 1.21 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1og2 h LEU 197 CO 0.11 0.89 -0.06 -0.03 -0.34 0.00 0.00 178.44 179.02 1og2 h MET 198 N 1.05 0.17 -0.74 1.25 4.05 -1.06 -1.46 114.93 118.18 1og2 h MET 198 Ca 0.24 -0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.64 1og2 h MET 198 Cb 0.22 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 1og2 h MET 198 CO -0.02 0.58 0.49 1.49 0.23 0.00 0.00 176.91 179.68 1og2 h GLU 199 N -0.24 0.76 -0.00 0.39 4.81 -0.80 -1.51 114.58 117.98 1og2 h GLU 199 Ca 0.01 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 1og2 h GLU 199 Cb 0.54 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.76 1og2 h GLU 199 CO 0.01 0.50 -0.98 -0.22 -0.73 0.00 0.00 179.01 177.59 1og2 h LYS 200 N 0.78 0.53 -0.25 1.92 1.63 -1.12 -2.54 116.57 117.52 1og2 h LYS 200 Ca 0.32 -0.57 -0.18 0.00 -0.85 0.00 0.00 60.65 59.37 1og2 h LYS 200 Cb 0.25 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1og2 h LYS 200 CO -0.11 1.20 -0.55 -0.07 -3.45 0.00 0.00 179.45 176.47 1og2 h LEU 201 N 0.30 0.92 -0.68 5.20 3.38 -0.74 -2.94 115.31 120.74 1og2 h LEU 201 Ca -0.10 -0.55 -0.14 0.00 0.09 0.00 0.00 57.88 57.18 1og2 h LEU 201 Cb 1.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1og2 h LEU 201 CO 0.18 1.30 -0.46 0.78 0.09 0.00 0.00 178.44 180.33 1og2 h ASN 202 N 0.57 0.50 -0.52 -0.43 -0.26 -1.34 -2.72 115.58 111.38 1og2 h ASN 202 Ca 0.00 -0.24 -0.09 0.00 -0.56 0.00 0.00 56.30 55.41 1og2 h ASN 202 Cb 1.16 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 38.26 1og2 h ASN 202 CO 0.12 0.89 -0.04 -0.08 -1.06 0.00 0.00 177.43 177.26 1og2 h GLU 203 N 0.38 0.95 -0.64 0.81 4.81 -1.47 -1.84 114.58 117.58 1og2 h GLU 203 Ca 0.02 -0.33 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1og2 h GLU 203 Cb 0.95 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1og2 h GLU 203 CO 0.08 0.99 0.42 -0.91 -0.73 0.00 0.00 179.01 178.87 1og2 h ASN 204 N 0.82 0.60 0.19 1.04 -0.26 -1.37 -1.04 115.58 115.55 1og2 h ASN 204 Ca 0.14 -0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.75 1og2 h ASN 204 Cb 0.59 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1og2 h ASN 204 CO 0.04 0.40 -0.50 0.40 -1.06 0.00 0.00 177.43 176.71 1og2 h ILE 205 N 0.68 1.34 0.07 2.81 2.04 -1.13 -1.85 117.51 121.47 1og2 h ILE 205 Ca 0.27 -1.73 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 1og2 h ILE 205 Cb 0.20 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1og2 h ILE 205 CO -0.08 0.52 -0.03 -0.08 0.00 0.00 0.00 178.15 178.48 1og2 h GLU 206 N 0.28 -0.09 -0.58 2.37 4.81 -0.87 -2.30 114.58 118.21 1og2 h GLU 206 Ca 0.01 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1og2 h GLU 206 Cb 0.97 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 1og2 h GLU 206 CO 0.08 0.42 0.21 0.82 -0.73 0.00 0.00 179.01 179.82 1og2 h ILE 207 N -0.67 0.79 0.00 2.32 2.04 -1.28 -2.58 117.51 118.13 1og2 h ILE 207 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1og2 h ILE 207 Cb 0.56 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1og2 h ILE 207 CO 0.02 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.42 1og2 n LEU 208 N -4.99 0.54 -0.95 1.44 4.77 -0.70 -2.92 117.00 114.18 1og2 n LEU 208 Ca 0.08 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 1og2 n LEU 208 Cb 0.25 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1og2 n LEU 208 CO 0.23 -0.33 0.65 -1.54 -1.33 0.00 0.00 177.39 175.06 1og2 n SER 209 N -2.05 2.97 -4.70 -1.43 3.41 -0.87 -4.93 113.62 106.01 1og2 n SER 209 Ca 0.04 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 1og2 n SER 209 Cb 0.30 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1og2 n SER 209 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1og2 s SER 210 N -1.96 6.80 0.54 4.04 0.15 -1.15 -4.90 113.70 117.21 1og2 s SER 210 Ca 0.29 2.27 0.31 0.00 0.70 0.00 0.00 55.95 59.52 1og2 s SER 210 Cb 0.20 -2.57 1.47 0.00 -1.71 0.00 0.00 66.02 63.41 1og2 s SER 210 CO 0.30 -0.72 1.90 -0.65 1.20 0.00 0.00 173.24 175.27 1og2 h PRO 211 N 7.45 0.01 -0.97 5.44 0.11 -1.91 -2.03 132.00 140.10 1og2 h PRO 211 Ca -0.40 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.57 1og2 h PRO 211 Cb 1.20 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1og2 h PRO 211 CO 0.89 0.00 0.18 -2.67 -0.21 0.00 0.00 178.00 176.19 1og2 n TRP 212 N -4.28 0.99 0.06 0.65 4.27 -1.26 -3.26 117.44 114.61 1og2 n TRP 212 Ca 0.18 -0.80 -0.12 0.00 -3.89 0.00 0.00 57.50 52.86 1og2 n TRP 212 Cb 0.94 -0.44 -0.13 0.00 -1.36 0.00 0.00 31.31 30.32 1og2 n TRP 212 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 1og2 h ILE 213 N 0.58 1.39 0.00 -1.67 1.08 -1.72 -3.26 117.51 113.91 1og2 h ILE 213 Ca 0.17 -3.06 0.00 0.00 -0.39 0.00 0.00 64.86 61.58 1og2 h ILE 213 Cb 1.51 2.80 0.00 0.00 -3.07 0.00 0.00 36.82 38.05 1og2 h ILE 213 CO 0.34 0.85 0.00 -0.61 -0.69 0.00 0.00 178.15 178.04 1og2 h GLN 214 N 0.04 0.00 -0.20 2.37 5.75 -1.81 -2.91 115.11 118.35 1og2 h GLN 214 Ca -0.14 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.26 1og2 h GLN 214 Cb 1.92 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.46 1og2 h GLN 214 CO 0.15 0.00 -0.30 0.28 -2.65 0.00 0.00 178.83 176.32 1og2 h VAL 215 N 0.00 1.27 -0.44 2.39 2.07 -1.75 -2.35 116.25 117.44 1og2 h VAL 215 Ca 0.00 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 1og2 h VAL 215 Cb 0.63 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1og2 h VAL 215 CO 0.00 0.41 -0.11 1.88 0.02 0.00 0.00 177.57 179.77 1og2 h TYR 216 N 0.35 0.95 0.00 1.57 0.05 -1.60 -1.65 116.97 116.64 1og2 h TYR 216 Ca 0.05 -0.20 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 1og2 h TYR 216 Cb 0.70 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1og2 h TYR 216 CO 0.02 0.95 -0.18 -0.91 -1.05 0.00 0.00 178.16 176.99 1og2 h ASN 217 N 0.67 0.00 0.05 3.88 2.35 -1.51 -1.49 115.58 119.53 1og2 h ASN 217 Ca 0.11 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1og2 h ASN 217 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1og2 h ASN 217 CO 0.04 0.18 -0.51 0.78 -1.65 0.00 0.00 177.43 176.27 1og2 h ASN 218 N 0.00 0.17 -3.09 5.81 4.21 -1.39 -3.41 115.58 117.88 1og2 h ASN 218 Ca -0.00 -0.92 -0.62 0.00 1.21 0.00 0.00 56.30 55.97 1og2 h ASN 218 Cb 0.67 -0.06 -0.42 0.00 -1.12 0.00 0.00 38.32 37.40 1og2 h ASN 218 CO 0.02 1.23 -0.59 -0.36 -1.29 0.00 0.00 177.43 176.44 1og2 s PHE 219 N -2.32 3.47 0.59 1.19 2.99 -0.63 -3.32 117.98 119.95 1og2 s PHE 219 Ca -0.19 -3.30 0.29 0.00 0.00 0.00 0.00 56.93 53.73 1og2 s PHE 219 Cb -0.00 -2.64 1.75 0.00 0.00 0.00 0.00 43.02 42.13 1og2 s PHE 219 CO 0.73 -0.56 2.20 -1.00 -0.00 0.00 0.00 175.22 176.59 1og2 h PRO 220 N 5.42 0.00 -1.00 0.24 0.13 -1.52 -1.89 132.00 133.37 1og2 h PRO 220 Ca 0.15 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.60 1og2 h PRO 220 Cb 0.76 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.74 1og2 h PRO 220 CO 0.70 0.00 0.57 0.00 -0.23 0.00 0.00 178.00 179.05 1og2 h ALA 221 N 1.92 1.96 0.00 -0.56 0.00 -1.93 0.26 119.26 120.90 1og2 h ALA 221 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1og2 h ALA 221 Cb 0.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1og2 h ALA 221 CO -0.00 -0.57 0.00 -0.07 0.00 0.00 0.00 179.25 178.61 1og2 h LEU 222 N 0.33 0.00 -0.72 0.00 3.38 -1.68 -2.73 115.31 113.90 1og2 h LEU 222 Ca 0.73 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.70 1og2 h LEU 222 Cb 1.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 1og2 h LEU 222 CO -0.60 0.00 0.45 -0.07 0.09 0.00 0.00 178.44 178.31 1og2 h LEU 223 N 0.00 0.84 -0.35 1.67 3.38 -1.13 -0.42 115.31 119.30 1og2 h LEU 223 Ca 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1og2 h LEU 223 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1og2 h LEU 223 CO 0.00 0.64 0.03 0.44 0.09 0.00 0.00 178.44 179.64 1og2 h ASP 224 N 0.97 0.58 1.02 -0.43 3.32 -1.66 -2.34 116.42 117.89 1og2 h ASP 224 Ca 0.26 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1og2 h ASP 224 Cb -0.07 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1og2 h ASP 224 CO -0.05 0.72 0.00 1.88 -1.72 0.00 0.00 179.24 180.07 1og2 h TYR 225 N 0.43 0.00 -1.89 4.55 -1.99 -1.56 -3.34 116.97 113.17 1og2 h TYR 225 Ca 0.10 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.33 1og2 h TYR 225 Cb 0.40 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 38.75 1og2 h TYR 225 CO 0.03 0.00 -1.12 1.19 -0.00 0.00 0.00 178.16 178.26 1og2 n PHE 226 N -2.53 -0.26 1.15 4.88 3.01 -0.19 -4.99 117.46 118.53 1og2 n PHE 226 Ca 0.02 -3.59 0.12 0.00 1.01 0.00 0.00 57.45 55.01 1og2 n PHE 226 Cb 0.30 -0.27 0.60 0.00 -0.01 0.00 0.00 39.48 40.11 1og2 n PHE 226 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1og2 n PRO 227 N 0.84 0.37 -0.40 -1.08 -0.05 -0.89 -3.93 135.00 129.86 1og2 n PRO 227 Ca 0.22 0.06 -0.09 0.00 -0.05 0.00 0.00 63.50 63.64 1og2 n PRO 227 Cb 0.60 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.48 1og2 n PRO 227 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 175.50 176.23 1og2 h GLY 228 N 3.88 -0.63 -4.34 0.55 0.00 -1.94 -2.66 103.07 97.94 1og2 h GLY 228 Ca 0.00 0.73 -0.53 0.00 0.00 0.00 0.00 47.33 47.54 1og2 h GLY 228 CO 0.00 -0.01 0.65 -1.59 0.00 0.00 0.00 176.54 175.59 1og2 s THR 229 N -5.61 3.36 0.00 4.70 2.01 -1.25 -2.00 115.64 116.85 1og2 s THR 229 Ca -0.12 1.06 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1og2 s THR 229 Cb 0.13 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1og2 s THR 229 CO 0.64 0.13 0.00 0.00 -0.69 0.00 0.00 174.62 174.70 1og2 n HIS 230 N 3.11 0.00 0.00 4.92 1.44 -1.26 -4.76 115.22 118.68 1og2 n HIS 230 Ca 0.08 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.67 1og2 n HIS 230 Cb 0.43 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.56 1og2 n HIS 230 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1og2 h ASN 231 N 0.12 0.68 0.31 4.39 2.35 -1.34 -0.66 115.58 121.44 1og2 h ASN 231 Ca 0.00 -0.40 -0.20 0.00 -0.55 0.00 0.00 56.30 55.15 1og2 h ASN 231 Cb 0.00 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1og2 h ASN 231 CO 0.00 1.15 -0.81 0.50 -1.65 0.00 0.00 177.43 176.62 1og2 h LYS 232 N 0.44 0.39 -0.53 0.81 3.64 -1.65 -1.70 116.57 117.96 1og2 h LYS 232 Ca -0.01 -0.35 -0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1og2 h LYS 232 Cb 1.22 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1og2 h LYS 232 CO 0.12 1.01 -0.02 -0.07 -2.27 0.00 0.00 179.45 178.22 1og2 h LEU 233 N 0.25 0.94 -0.89 5.20 3.38 -1.82 -2.12 115.31 120.24 1og2 h LEU 233 Ca -0.05 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1og2 h LEU 233 Cb 1.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1og2 h LEU 233 CO 0.14 1.02 -0.54 -0.07 0.09 0.00 0.00 178.44 179.08 1og2 h LEU 234 N 0.82 0.00 0.04 1.67 3.38 -0.98 -1.50 115.31 118.74 1og2 h LEU 234 Ca 0.15 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 1og2 h LEU 234 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 1og2 h LEU 234 CO 0.03 0.54 -0.92 0.50 0.09 0.00 0.00 178.44 178.68 1og2 h LYS 235 N 0.00 0.55 -0.36 1.13 3.64 -1.25 -2.56 116.57 117.73 1og2 h LYS 235 Ca -0.01 -0.65 -0.11 0.00 -1.27 0.00 0.00 60.65 58.62 1og2 h LYS 235 Cb 0.98 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1og2 h LYS 235 CO 0.07 1.26 -0.20 -0.91 -2.27 0.00 0.00 179.45 177.40 1og2 h ASN 236 N 0.13 0.80 -0.72 4.20 -0.26 -1.24 -1.07 115.58 117.43 1og2 h ASN 236 Ca -0.13 -0.42 -0.03 0.00 -0.56 0.00 0.00 56.30 55.16 1og2 h ASN 236 Cb 1.61 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 38.61 1og2 h ASN 236 CO 0.18 1.04 0.31 0.58 -1.06 0.00 0.00 177.43 178.48 1og2 h VAL 237 N 0.56 1.24 0.00 2.81 2.07 -1.36 -1.99 116.25 119.59 1og2 h VAL 237 Ca 0.08 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 1og2 h VAL 237 Cb 0.75 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1og2 h VAL 237 CO 0.06 0.30 -0.61 0.00 0.02 0.00 0.00 177.57 177.33 1og2 h ALA 238 N 1.15 0.94 -0.14 1.67 0.00 -1.16 0.31 119.26 122.04 1og2 h ALA 238 Ca 0.24 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1og2 h ALA 238 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1og2 h ALA 238 CO -0.02 0.77 0.08 0.35 0.00 0.00 0.00 179.25 180.42 1og2 h PHE 239 N 0.00 0.18 -0.47 0.00 3.04 -0.98 -1.76 116.94 116.95 1og2 h PHE 239 Ca -0.01 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1og2 h PHE 239 Cb 1.11 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.55 1og2 h PHE 239 CO 0.00 0.19 0.10 0.52 -2.02 0.00 0.00 178.31 177.10 1og2 h MET 240 N 0.13 0.76 -0.86 1.11 2.86 -0.75 -2.23 114.93 115.94 1og2 h MET 240 Ca 0.05 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1og2 h MET 240 Cb 0.06 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 1og2 h MET 240 CO -0.01 0.76 0.56 0.87 1.06 0.00 0.00 176.91 180.15 1og2 h LYS 241 N 0.64 0.97 -0.28 1.72 1.57 -0.25 -1.35 116.57 119.58 1og2 h LYS 241 Ca 0.15 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1og2 h LYS 241 Cb 0.34 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1og2 h LYS 241 CO 0.00 0.64 0.00 0.77 -0.57 0.00 0.00 179.45 180.29 1og2 h SER 242 N 0.99 0.48 -0.37 0.86 0.02 -1.00 -1.49 113.55 113.04 1og2 h SER 242 Ca 0.36 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1og2 h SER 242 Cb 0.15 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1og2 h SER 242 CO -0.12 0.67 0.24 0.22 -1.14 0.00 0.00 176.83 176.70 1og2 h TYR 243 N 0.28 0.45 -0.78 3.45 3.20 -1.00 -1.76 116.97 120.82 1og2 h TYR 243 Ca 0.08 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1og2 h TYR 243 Cb 0.43 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1og2 h TYR 243 CO 0.04 0.28 0.39 0.82 -1.64 0.00 0.00 178.16 178.05 1og2 h ILE 244 N 0.49 1.24 -0.67 1.81 2.04 -1.22 -2.51 117.51 118.69 1og2 h ILE 244 Ca 0.14 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1og2 h ILE 244 Cb -0.04 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1og2 h ILE 244 CO -0.04 0.28 0.44 0.25 0.00 0.00 0.00 178.15 179.08 1og2 h LEU 245 N 1.10 0.74 -1.07 1.44 7.12 -0.44 -0.52 115.31 123.69 1og2 h LEU 245 Ca 0.27 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.25 1og2 h LEU 245 Cb 0.08 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1og2 h LEU 245 CO -0.04 0.53 -0.11 1.05 -0.13 0.00 0.00 178.44 179.74 1og2 h GLU 246 N 0.88 0.00 -0.23 1.25 4.11 -1.11 -2.13 114.58 117.35 1og2 h GLU 246 Ca 0.26 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.51 1og2 h GLU 246 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1og2 h GLU 246 CO -0.07 0.11 -0.56 0.87 0.07 0.00 0.00 179.01 179.43 1og2 h LYS 247 N 0.00 0.78 0.00 1.06 6.56 -0.81 -2.91 116.57 121.25 1og2 h LYS 247 Ca -0.00 -0.54 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1og2 h LYS 247 Cb 0.71 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 1og2 h LYS 247 CO 0.01 1.16 0.00 1.33 -2.06 0.00 0.00 179.45 179.89 1og2 n VAL 248 N -4.07 0.60 -0.00 0.50 0.24 -0.32 -2.17 118.33 113.11 1og2 n VAL 248 Ca -0.06 -0.06 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1og2 n VAL 248 Cb 0.63 -0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 32.18 1og2 n VAL 248 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1og2 h LYS 249 N 0.00 -0.11 -1.20 7.34 1.57 -1.39 -0.05 116.57 122.73 1og2 h LYS 249 Ca 0.00 0.01 0.34 0.00 -1.87 0.00 0.00 60.65 59.13 1og2 h LYS 249 Cb 0.56 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 1og2 h LYS 249 CO 0.00 0.29 0.83 0.93 -0.57 0.00 0.00 179.45 180.93 1og2 h GLU 250 N -0.97 0.11 0.01 3.15 5.08 -1.44 -0.74 114.58 119.78 1og2 h GLU 250 Ca -0.01 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1og2 h GLU 250 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1og2 h GLU 250 CO 0.02 0.08 -0.20 0.45 -1.00 0.00 0.00 179.01 178.36 1og2 h HIS 251 N 0.12 0.17 -0.37 4.33 3.86 -1.40 -2.86 115.15 119.00 1og2 h HIS 251 Ca 0.61 -0.10 0.11 0.00 -1.16 0.00 0.00 60.37 59.83 1og2 h HIS 251 Cb 2.15 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.59 1og2 h HIS 251 CO -0.00 0.96 0.34 1.96 0.86 0.00 0.00 177.93 182.04 1og2 h GLN 252 N -0.66 0.00 0.04 2.45 4.20 0.42 -0.45 115.11 121.11 1og2 h GLN 252 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1og2 h GLN 252 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1og2 h GLN 252 CO 0.04 0.00 -0.02 1.49 -0.67 0.00 0.00 178.83 179.67 1og2 h GLU 253 N 0.00 -0.06 -0.60 1.46 4.22 -1.33 -3.36 114.58 114.92 1og2 h GLU 253 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1og2 h GLU 253 Cb 0.85 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1og2 h GLU 253 CO -0.00 0.32 0.00 -1.13 -2.18 0.00 0.00 179.01 176.02 1og2 n SER 254 N -4.77 3.35 -4.70 1.04 3.41 -1.02 -4.95 113.62 105.98 1og2 n SER 254 Ca -0.05 -2.27 -0.42 0.00 -0.26 0.00 0.00 58.87 55.87 1og2 n SER 254 Cb 0.20 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1og2 n SER 254 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1og2 s MET 255 N -1.71 4.41 -0.41 4.33 1.75 -0.21 -4.98 119.30 122.48 1og2 s MET 255 Ca 0.35 1.65 -0.12 0.00 -1.25 0.00 0.00 55.69 56.32 1og2 s MET 255 Cb 0.22 -3.47 0.05 0.00 2.84 0.00 0.00 34.83 34.47 1og2 s MET 255 CO 0.18 -0.32 0.27 0.34 -0.65 0.00 0.00 175.02 174.84 1og2 s ASP 256 N 1.25 5.85 0.72 1.11 2.15 -1.26 -5.05 116.67 121.44 1og2 s ASP 256 Ca 0.56 -1.18 -0.14 0.00 0.43 0.00 0.00 52.55 52.22 1og2 s ASP 256 Cb -0.25 -2.07 0.03 0.00 -0.30 0.00 0.00 42.92 40.33 1og2 s ASP 256 CO 0.25 -0.49 1.14 -0.04 -0.17 0.00 0.00 175.17 175.87 1og2 s MET 257 N 1.56 2.36 0.00 4.34 -1.94 -1.26 -2.37 119.30 121.98 1og2 s MET 257 Ca 0.03 1.51 0.00 0.00 -1.71 0.00 0.00 55.69 55.52 1og2 s MET 257 Cb -0.21 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.74 1og2 s MET 257 CO 0.06 -1.62 0.00 0.09 -0.01 0.00 0.00 175.02 173.54 1og2 n ASN 258 N -2.80 -0.70 -2.73 3.03 3.02 -1.26 -4.84 115.26 108.98 1og2 n ASN 258 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.57 1og2 n ASN 258 Cb 0.51 -1.72 0.07 0.00 -0.61 0.00 0.00 39.78 38.03 1og2 n ASN 258 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1og2 n ASN 259 N -0.09 -0.34 -4.77 6.41 3.02 -1.00 -5.13 115.26 113.37 1og2 n ASN 259 Ca 0.00 -2.72 -0.39 0.00 -0.03 0.00 0.00 54.58 51.44 1og2 n ASN 259 Cb 0.05 0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1og2 n ASN 259 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1og2 s PRO 260 N -1.38 4.09 0.00 3.52 0.04 -1.24 -4.72 135.00 135.31 1og2 s PRO 260 Ca 0.26 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1og2 s PRO 260 Cb 0.41 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1og2 s PRO 260 CO -0.03 -0.33 0.00 1.04 0.04 0.00 0.00 177.00 177.71 1og2 n GLN 261 N 0.24 1.78 -2.51 4.56 1.13 -1.26 -3.37 117.38 117.95 1og2 n GLN 261 Ca 0.03 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.04 1og2 n GLN 261 Cb 0.45 -0.86 -0.01 0.00 0.11 0.00 0.00 30.24 29.93 1og2 n GLN 261 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1og2 n ASP 262 N -1.31 -0.51 0.10 1.08 3.85 -1.26 -4.68 116.55 113.82 1og2 n ASP 262 Ca 0.00 -1.73 -0.13 0.00 -0.71 0.00 0.00 54.79 52.22 1og2 n ASP 262 Cb 0.00 0.95 -0.08 0.00 -1.35 0.00 0.00 41.12 40.65 1og2 n ASP 262 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1og2 h PHE 263 N 1.39 -0.16 -0.19 2.11 3.57 -1.38 -2.36 116.94 119.92 1og2 h PHE 263 Ca -0.10 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.45 1og2 h PHE 263 Cb 0.45 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1og2 h PHE 263 CO 0.00 -0.07 -0.28 0.82 -2.23 0.00 0.00 178.31 176.55 1og2 h ILE 264 N -0.21 0.33 -0.37 1.41 2.04 -1.82 -1.35 117.51 117.53 1og2 h ILE 264 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1og2 h ILE 264 Cb 0.17 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 1og2 h ILE 264 CO 0.03 0.00 -0.34 0.44 0.00 0.00 0.00 178.15 178.28 1og2 h ASP 265 N -0.32 -1.12 0.14 1.72 3.32 -1.82 0.12 116.42 118.46 1og2 h ASP 265 Ca 0.12 0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1og2 h ASP 265 Cb 0.50 0.51 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1og2 h ASP 265 CO -0.37 -0.33 -0.13 0.00 -1.72 0.00 0.00 179.24 176.68 1og2 h PHE 267 N 0.00 0.49 -0.83 0.00 3.57 -0.13 -1.21 116.94 118.82 1og2 h PHE 267 Ca -0.00 -0.23 0.05 0.00 3.53 0.00 0.00 57.97 61.31 1og2 h PHE 267 Cb 0.24 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1og2 h PHE 267 CO 0.00 1.01 0.52 -0.07 -2.23 0.00 0.00 178.31 177.54 1og2 h LEU 268 N -0.17 0.84 0.00 0.59 4.07 -0.13 -0.56 115.31 119.95 1og2 h LEU 268 Ca -0.04 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1og2 h LEU 268 Cb 1.08 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1og2 h LEU 268 CO 0.08 0.55 -0.37 0.00 -1.08 0.00 0.00 178.44 177.62 1og2 h MET 269 N 0.98 0.00 -0.11 1.13 -0.00 -1.32 -2.13 114.93 113.48 1og2 h MET 269 Ca 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.96 1og2 h MET 269 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.70 1og2 h MET 269 CO -0.15 0.00 -0.34 -0.22 -0.00 0.00 0.00 176.91 176.20 1og2 h LYS 270 N 0.00 0.21 -0.22 -0.10 1.63 -0.30 -2.77 116.57 115.02 1og2 h LYS 270 Ca 0.00 -0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.62 1og2 h LYS 270 Cb 0.92 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1og2 h LYS 270 CO 0.00 0.53 -0.28 0.52 -3.45 0.00 0.00 179.45 176.77 1og2 h MET 271 N 0.18 0.43 -0.39 1.90 2.86 -0.46 -2.62 114.93 116.85 1og2 h MET 271 Ca 0.02 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 1og2 h MET 271 Cb 0.69 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1og2 h MET 271 CO 0.05 0.68 -0.22 1.49 1.06 0.00 0.00 176.91 179.97 1og2 h GLU 272 N 0.38 0.83 0.00 1.72 4.57 -1.40 0.28 114.58 120.96 1og2 h GLU 272 Ca 0.05 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1og2 h GLU 272 Cb 0.70 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1og2 h GLU 272 CO 0.05 1.02 0.00 1.63 -1.18 0.00 0.00 179.01 180.53 1og2 n LYS 273 N -4.22 0.15 -0.00 1.92 5.02 -1.05 -2.51 118.16 117.47 1og2 n LYS 273 Ca -0.02 0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1og2 n LYS 273 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1og2 n LYS 273 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1og2 n GLU 274 N -1.37 5.05 0.29 1.97 -0.58 -1.00 -4.73 120.64 120.27 1og2 n GLU 274 Ca 0.07 -0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.99 1og2 n GLU 274 Cb 0.16 -0.78 0.91 0.00 -0.57 0.00 0.00 31.44 31.16 1og2 n GLU 274 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1og2 h LYS 275 N 0.00 0.00 0.00 3.49 2.10 -0.15 -3.14 116.57 118.87 1og2 h LYS 275 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1og2 h LYS 275 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1og2 h LYS 275 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 1og2 n HIS 276 N -3.21 0.00 -1.69 0.07 8.25 -1.26 -4.56 115.22 112.81 1og2 n HIS 276 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1og2 n HIS 276 Cb 0.32 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.39 1og2 n HIS 276 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1og2 s ASN 277 N -1.14 4.53 -0.44 0.41 4.22 -1.19 -4.81 114.94 116.53 1og2 s ASN 277 Ca 0.00 0.56 0.04 0.00 -2.14 0.00 0.00 52.86 51.32 1og2 s ASN 277 Cb 0.00 -2.52 0.46 0.00 1.28 0.00 0.00 41.25 40.47 1og2 s ASN 277 CO 0.00 -3.00 1.53 1.67 -2.04 0.00 0.00 177.10 175.26 1og2 n GLN 278 N 8.99 3.14 0.00 3.55 -0.06 -1.26 -4.21 117.38 127.54 1og2 n GLN 278 Ca 0.36 -3.77 0.00 0.00 -2.00 0.00 0.00 57.00 51.59 1og2 n GLN 278 Cb 0.51 -2.25 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 1og2 n GLN 278 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1og2 n PRO 279 N -0.82 0.00 -1.18 3.69 -0.02 -1.26 -5.07 135.00 130.34 1og2 n PRO 279 Ca 0.51 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1og2 n PRO 279 Cb 0.86 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1og2 n PRO 279 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1og2 n SER 280 N -1.93 -4.72 0.07 2.55 2.88 -1.26 -5.00 113.62 106.21 1og2 n SER 280 Ca 0.00 0.56 0.04 0.00 -1.33 0.00 0.00 58.87 58.14 1og2 n SER 280 Cb 0.00 -2.57 -0.04 0.00 -0.75 0.00 0.00 64.21 60.85 1og2 n SER 280 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1og2 h GLU 281 N 1.66 0.00 -5.25 -1.46 3.07 -1.97 -3.44 114.58 107.18 1og2 h GLU 281 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 1og2 h GLU 281 Cb 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.77 1og2 h GLU 281 CO 0.00 0.23 -0.10 -0.06 -1.40 0.00 0.00 179.01 177.68 1og2 s PHE 282 N -3.05 3.24 0.30 4.33 0.40 -1.26 -4.79 117.98 117.14 1og2 s PHE 282 Ca -0.01 0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 56.69 1og2 s PHE 282 Cb 0.09 -2.73 -0.00 0.00 0.51 0.00 0.00 43.02 40.89 1og2 s PHE 282 CO 0.79 -0.34 0.44 0.95 0.70 0.00 0.00 175.22 177.77 1og2 s THR 283 N 2.25 0.00 0.16 0.64 -4.23 -1.26 -4.85 115.64 108.35 1og2 s THR 283 Ca 0.18 -1.58 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1og2 s THR 283 Cb -0.16 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1og2 s THR 283 CO 0.11 0.00 1.56 0.40 -0.54 0.00 0.00 174.62 176.14 1og2 h ILE 284 N 2.21 1.27 -0.13 2.99 1.08 -1.99 -1.95 117.51 120.98 1og2 h ILE 284 Ca -0.29 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 62.88 1og2 h ILE 284 Cb 1.24 1.09 -0.06 0.00 -3.07 0.00 0.00 36.82 36.02 1og2 h ILE 284 CO 0.39 0.47 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.67 1og2 h GLU 285 N 0.87 -0.39 0.00 2.37 4.39 -1.98 -2.10 114.58 117.74 1og2 h GLU 285 Ca 0.12 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1og2 h GLU 285 Cb 0.77 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1og2 h GLU 285 CO 0.06 -0.26 -0.09 0.66 -1.16 0.00 0.00 179.01 178.22 1og2 h SER 286 N -0.41 0.00 -0.01 1.42 4.64 -1.81 -1.70 113.55 115.69 1og2 h SER 286 Ca 0.09 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 1og2 h SER 286 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1og2 h SER 286 CO -0.35 0.09 -0.66 0.25 -0.87 0.00 0.00 176.83 175.29 1og2 h LEU 287 N 0.00 0.60 -0.97 5.97 5.85 -1.13 -0.26 115.31 125.38 1og2 h LEU 287 Ca -0.00 -0.74 0.07 0.00 0.84 0.00 0.00 57.88 58.05 1og2 h LEU 287 Cb 0.60 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1og2 h LEU 287 CO 0.01 1.26 0.62 -0.33 -0.34 0.00 0.00 178.44 179.66 1og2 h GLU 288 N 0.00 1.08 -0.16 1.25 5.08 -0.80 0.95 114.58 121.98 1og2 h GLU 288 Ca -0.08 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 1og2 h GLU 288 Cb 1.35 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1og2 h GLU 288 CO 0.13 0.71 -0.52 -0.91 -1.00 0.00 0.00 179.01 177.42 1og2 h ASN 289 N 1.11 0.74 -0.13 1.42 -0.26 -1.28 -1.65 115.58 115.54 1og2 h ASN 289 Ca 0.42 -0.60 -0.13 0.00 -0.56 0.00 0.00 56.30 55.43 1og2 h ASN 289 Cb 0.20 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1og2 h ASN 289 CO -0.18 1.21 -0.37 0.74 -1.06 0.00 0.00 177.43 177.77 1og2 h THR 290 N 0.31 1.29 -0.30 2.81 2.02 -0.82 -2.57 112.91 115.66 1og2 h THR 290 Ca -0.02 -1.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 1og2 h THR 290 Cb 1.15 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1og2 h THR 290 CO 0.11 0.49 0.16 0.00 0.37 0.00 0.00 175.52 176.65 1og2 h ALA 291 N 1.05 0.38 -0.47 6.16 0.00 -0.72 -1.61 119.26 124.05 1og2 h ALA 291 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1og2 h ALA 291 Cb 0.88 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1og2 h ALA 291 CO 0.08 -0.09 -0.08 -0.39 0.00 0.00 0.00 179.25 178.77 1og2 h VAL 292 N 0.36 1.26 0.53 0.00 -1.51 -1.19 -2.20 116.25 113.49 1og2 h VAL 292 Ca 0.10 -1.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.40 1og2 h VAL 292 Cb 0.07 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.20 1og2 h VAL 292 CO -0.02 0.40 -0.44 0.44 -1.23 0.00 0.00 177.57 176.73 1og2 h ASP 293 N 0.77 -1.17 -0.71 4.19 3.45 -1.34 -0.50 116.42 121.10 1og2 h ASP 293 Ca 0.13 0.09 0.16 0.00 0.43 0.00 0.00 57.03 57.84 1og2 h ASP 293 Cb 0.58 0.37 -0.12 0.00 -0.56 0.00 0.00 39.33 39.60 1og2 h ASP 293 CO 0.04 -0.62 -0.01 -0.07 -1.57 0.00 0.00 179.24 177.01 1og2 h LEU 294 N -0.95 -0.35 -1.10 1.55 3.38 -1.15 0.57 115.31 117.25 1og2 h LEU 294 Ca -0.06 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1og2 h LEU 294 Cb 0.81 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1og2 h LEU 294 CO -0.01 -0.16 0.49 -0.26 0.09 0.00 0.00 178.44 178.58 1og2 h PHE 295 N 0.10 1.07 0.00 1.13 0.04 -1.07 0.19 116.94 118.40 1og2 h PHE 295 Ca 0.38 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.15 1og2 h PHE 295 Cb 0.65 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1og2 h PHE 295 CO -0.42 0.71 -0.00 0.78 -0.60 0.00 0.00 178.31 178.78 1og2 h GLY 296 N 1.14 -0.00 2.00 -1.45 0.00 0.84 -2.92 103.07 102.68 1og2 h GLY 296 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1og2 h GLY 296 CO -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.46 1og2 h ALA 297 N 0.01 1.05 -0.01 3.60 0.00 -0.02 -3.29 119.26 120.59 1og2 h ALA 297 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1og2 h ALA 297 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1og2 h ALA 297 CO 0.00 0.03 -0.34 0.41 0.00 0.00 0.00 179.25 179.34 1og2 n GLY 298 N -0.50 0.01 0.46 0.00 0.00 0.67 -4.66 105.19 101.16 1og2 n GLY 298 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 1og2 n GLY 298 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1og2 n THR 299 N -0.02 0.96 0.10 2.61 -1.04 -1.10 -4.60 114.28 111.19 1og2 n THR 299 Ca 0.08 0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 62.23 1og2 n THR 299 Cb 0.38 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 67.02 1og2 n THR 299 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1og2 h GLU 300 N -0.41 -0.36 -0.08 -2.82 4.57 -1.82 -0.94 114.58 112.72 1og2 h GLU 300 Ca 0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1og2 h GLU 300 Cb 0.41 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1og2 h GLU 300 CO 0.00 -0.24 0.02 1.15 -1.18 0.00 0.00 179.01 178.76 1og2 h THR 301 N -0.38 1.18 -0.69 0.32 2.02 -1.85 -1.22 112.91 112.29 1og2 h THR 301 Ca 0.03 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1og2 h THR 301 Cb 0.40 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1og2 h THR 301 CO -0.11 0.16 0.40 0.74 0.37 0.00 0.00 175.52 177.08 1og2 h THR 302 N -0.07 1.00 -0.30 3.16 2.02 -1.81 -0.72 112.91 116.20 1og2 h THR 302 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1og2 h THR 302 Cb 0.23 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1og2 h THR 302 CO -0.00 0.14 0.20 -1.28 0.37 0.00 0.00 175.52 174.94 1og2 h SER 303 N 0.75 0.34 0.39 4.18 0.87 -0.95 -0.95 113.55 118.19 1og2 h SER 303 Ca 0.30 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 1og2 h SER 303 Cb 0.15 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1og2 h SER 303 CO -0.17 0.26 -0.69 0.74 -0.53 0.00 0.00 176.83 176.44 1og2 h THR 304 N 0.40 1.41 -0.53 2.23 2.02 -1.02 -1.07 112.91 116.35 1og2 h THR 304 Ca 0.11 -2.16 -0.09 0.00 0.77 0.00 0.00 66.41 65.04 1og2 h THR 304 Cb -0.04 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1og2 h THR 304 CO -0.02 0.64 -0.03 0.74 0.37 0.00 0.00 175.52 177.22 1og2 h THR 305 N 0.18 1.27 -0.50 3.16 2.02 -0.77 0.10 112.91 118.37 1og2 h THR 305 Ca -0.02 -1.14 -0.12 0.00 0.77 0.00 0.00 66.41 65.89 1og2 h THR 305 Cb 1.23 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1og2 h THR 305 CO 0.11 0.41 -0.18 -0.07 0.37 0.00 0.00 175.52 176.16 1og2 h LEU 306 N 0.83 1.01 -0.60 2.58 3.38 -0.91 0.11 115.31 121.71 1og2 h LEU 306 Ca 0.15 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1og2 h LEU 306 Cb 0.57 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1og2 h LEU 306 CO 0.03 1.16 -0.11 -0.09 0.09 0.00 0.00 178.44 179.52 1og2 h ARG 307 N 0.87 1.00 -0.11 1.13 2.43 -0.87 -2.01 114.38 116.83 1og2 h ARG 307 Ca 0.12 -0.37 -0.17 0.00 -0.81 0.00 0.00 59.98 58.76 1og2 h ARG 307 Cb 0.75 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1og2 h ARG 307 CO 0.06 1.05 -0.65 -0.92 -1.51 0.00 0.00 179.97 178.00 1og2 h TYR 308 N 0.89 0.55 0.29 2.20 -0.00 -0.61 -2.08 116.97 118.21 1og2 h TYR 308 Ca 0.14 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.73 58.65 1og2 h TYR 308 Cb 0.67 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.29 1og2 h TYR 308 CO 0.04 0.95 -0.25 0.00 -0.00 0.00 0.00 178.16 178.91 1og2 h ALA 309 N 1.00 -0.54 -0.78 1.82 0.00 -0.46 -1.67 119.26 118.64 1og2 h ALA 309 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1og2 h ALA 309 Cb 1.20 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1og2 h ALA 309 CO 0.11 -0.83 0.51 -0.07 0.00 0.00 0.00 179.25 178.97 1og2 h LEU 310 N -0.55 0.82 -0.45 0.00 3.38 -1.22 0.06 115.31 117.34 1og2 h LEU 310 Ca -0.02 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1og2 h LEU 310 Cb 0.49 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1og2 h LEU 310 CO -0.03 0.56 0.25 0.25 0.09 0.00 0.00 178.44 179.57 1og2 h LEU 311 N 0.95 0.40 -0.79 1.67 5.85 -0.95 -1.22 115.31 121.22 1og2 h LEU 311 Ca 0.31 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.92 1og2 h LEU 311 Cb 0.05 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1og2 h LEU 311 CO -0.09 0.28 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.76 1og2 h LEU 312 N 0.51 0.35 -1.30 2.25 3.38 -0.37 -2.09 115.31 118.04 1og2 h LEU 312 Ca 0.18 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1og2 h LEU 312 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1og2 h LEU 312 CO -0.10 0.77 -0.23 -0.07 0.09 0.00 0.00 178.44 178.90 1og2 h LEU 313 N 0.27 0.00 -0.05 1.67 3.38 -0.52 -1.06 115.31 118.99 1og2 h LEU 313 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1og2 h LEU 313 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1og2 h LEU 313 CO 0.08 0.23 -0.22 -0.07 0.09 0.00 0.00 178.44 178.55 1og2 h LEU 314 N 0.00 0.28 -0.85 1.67 3.38 -0.78 -3.31 115.31 115.70 1og2 h LEU 314 Ca -0.00 -0.64 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 1og2 h LEU 314 Cb 0.66 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1og2 h LEU 314 CO 0.03 0.88 0.22 0.50 0.09 0.00 0.00 178.44 180.16 1og2 h LYS 315 N -0.30 1.08 -3.03 1.13 1.63 -1.12 -3.35 116.57 112.61 1og2 h LYS 315 Ca -0.01 -0.22 -0.66 0.00 -0.85 0.00 0.00 60.65 58.91 1og2 h LYS 315 Cb 0.86 -0.16 -0.39 0.00 -0.60 0.00 0.00 32.23 31.94 1og2 h LYS 315 CO 0.05 0.91 -0.33 0.72 -3.45 0.00 0.00 179.45 177.35 1og2 n HIS 316 N -4.26 3.66 0.21 1.91 8.25 -0.43 -4.80 115.22 119.77 1og2 n HIS 316 Ca 0.06 -4.15 0.07 0.00 -0.26 0.00 0.00 57.72 53.44 1og2 n HIS 316 Cb 0.22 -0.84 0.47 0.00 1.12 0.00 0.00 29.99 30.96 1og2 n HIS 316 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1og2 h PRO 317 N 5.43 0.00 -0.72 -0.41 0.13 -1.70 -2.45 132.00 132.29 1og2 h PRO 317 Ca 0.16 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.38 1og2 h PRO 317 Cb 0.75 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.81 1og2 h PRO 317 CO 0.82 0.28 0.37 0.93 -0.23 0.00 0.00 178.00 180.17 1og2 h GLU 318 N 0.00 0.61 -0.72 0.86 3.07 -1.92 0.60 114.58 117.09 1og2 h GLU 318 Ca -0.00 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1og2 h GLU 318 Cb 0.65 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1og2 h GLU 318 CO 0.04 0.41 0.18 0.28 -1.40 0.00 0.00 179.01 178.51 1og2 h VAL 319 N 0.63 1.26 0.15 3.13 2.07 -1.81 -1.56 116.25 120.12 1og2 h VAL 319 Ca 0.35 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1og2 h VAL 319 Cb 0.35 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1og2 h VAL 319 CO -0.26 0.37 -0.07 0.74 0.02 0.00 0.00 177.57 178.38 1og2 h THR 320 N 1.09 0.99 -0.89 2.57 2.02 -1.20 -1.83 112.91 115.65 1og2 h THR 320 Ca 0.23 -0.66 0.22 0.00 0.77 0.00 0.00 66.41 66.97 1og2 h THR 320 Cb 0.37 1.39 -0.13 0.00 -1.74 0.00 0.00 68.15 68.04 1og2 h THR 320 CO 0.00 0.15 0.36 0.00 0.37 0.00 0.00 175.52 176.41 1og2 h ALA 321 N 0.26 1.40 -0.43 6.16 0.00 -0.86 -0.49 119.26 125.29 1og2 h ALA 321 Ca -0.02 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1og2 h ALA 321 Cb 0.41 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1og2 h ALA 321 CO 0.03 -0.37 -0.19 0.87 0.00 0.00 0.00 179.25 179.60 1og2 h LYS 322 N 0.36 0.84 -0.65 0.00 1.57 -1.09 -2.21 116.57 115.38 1og2 h LYS 322 Ca 0.55 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1og2 h LYS 322 Cb 1.06 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1og2 h LYS 322 CO -0.55 0.96 0.10 0.28 -0.57 0.00 0.00 179.45 179.67 1og2 h VAL 323 N 0.74 1.26 -0.18 0.50 2.07 -0.38 -2.84 116.25 117.42 1og2 h VAL 323 Ca 0.11 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1og2 h VAL 323 Cb 0.71 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1og2 h VAL 323 CO 0.05 0.39 -0.20 1.56 0.02 0.00 0.00 177.57 179.39 1og2 h GLN 324 N 1.01 0.30 -0.80 1.57 4.20 -0.95 -1.87 115.11 118.57 1og2 h GLN 324 Ca 0.20 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1og2 h GLN 324 Cb 0.45 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1og2 h GLN 324 CO 0.01 0.50 0.43 0.93 -0.67 0.00 0.00 178.83 180.04 1og2 h GLU 325 N 0.28 1.11 -0.16 1.46 5.08 -1.17 -1.50 114.58 119.68 1og2 h GLU 325 Ca 0.05 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1og2 h GLU 325 Cb 0.52 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1og2 h GLU 325 CO 0.03 0.83 -0.31 0.93 -1.00 0.00 0.00 179.01 179.49 1og2 h GLU 326 N 1.11 0.32 -0.12 2.33 5.08 -1.32 -2.07 114.58 119.90 1og2 h GLU 326 Ca 0.28 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1og2 h GLU 326 Cb 0.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1og2 h GLU 326 CO -0.04 0.60 -0.13 0.82 -1.00 0.00 0.00 179.01 179.26 1og2 h ILE 327 N 0.28 1.36 -0.46 3.13 2.04 -0.97 -0.93 117.51 121.96 1og2 h ILE 327 Ca 0.04 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1og2 h ILE 327 Cb 0.69 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1og2 h ILE 327 CO 0.05 0.38 -0.01 -0.33 0.00 0.00 0.00 178.15 178.24 1og2 h GLU 328 N -0.10 0.75 -0.04 2.37 5.08 -1.18 -0.86 114.58 120.61 1og2 h GLU 328 Ca 0.02 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1og2 h GLU 328 Cb 0.66 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1og2 h GLU 328 CO 0.03 0.77 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.52 1og2 h ARG 329 N 0.70 0.20 0.15 2.33 2.43 -1.39 -3.39 114.38 115.41 1og2 h ARG 329 Ca 0.14 -0.17 -0.35 0.00 -0.81 0.00 0.00 59.98 58.78 1og2 h ARG 329 Cb 0.44 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1og2 h ARG 329 CO 0.02 0.83 -1.87 0.28 -1.51 0.00 0.00 179.97 177.72 1og2 h VAL 330 N -0.37 0.78 -3.73 0.20 2.07 -1.07 -3.45 116.25 110.68 1og2 h VAL 330 Ca -0.02 -2.45 -0.68 0.00 0.82 0.00 0.00 66.70 64.38 1og2 h VAL 330 Cb 0.88 2.62 -0.19 0.00 -1.52 0.00 0.00 31.29 33.08 1og2 h VAL 330 CO 0.04 0.87 -0.80 -0.63 0.02 0.00 0.00 177.57 177.07 1og2 s ILE 331 N -2.57 2.85 0.00 4.57 1.01 -0.34 -5.08 121.20 121.65 1og2 s ILE 331 Ca -0.18 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 58.97 1og2 s ILE 331 Cb 0.06 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1og2 s ILE 331 CO 0.81 0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.47 1og2 n GLY 332 N 0.82 -0.46 0.12 6.18 0.00 -1.26 -3.77 105.19 106.83 1og2 n GLY 332 Ca -0.16 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.31 1og2 n GLY 332 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1og2 h ARG 333 N 0.00 0.00 0.00 1.61 2.43 -1.87 -3.43 114.38 113.12 1og2 h ARG 333 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1og2 h ARG 333 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1og2 h ARG 333 CO 0.00 0.10 0.00 0.09 -1.51 0.00 0.00 179.97 178.65 1og2 n ASN 334 N -2.81 0.00 -3.77 -3.80 4.13 -1.26 -4.94 115.26 102.81 1og2 n ASN 334 Ca -0.02 0.06 -0.30 0.00 1.68 0.00 0.00 54.58 56.00 1og2 n ASN 334 Cb 0.63 0.00 0.28 0.00 -1.54 0.00 0.00 39.78 39.14 1og2 n ASN 334 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1og2 s ARG 335 N -0.12 -2.30 0.16 3.52 1.70 -1.26 -5.03 118.95 115.63 1og2 s ARG 335 Ca 0.00 0.32 0.04 0.00 -0.47 0.00 0.00 55.73 55.62 1og2 s ARG 335 Cb 0.00 -1.43 -0.04 0.00 -0.57 0.00 0.00 34.95 32.91 1og2 s ARG 335 CO 0.00 -4.51 0.22 -1.54 -1.08 0.00 0.00 175.30 168.39 1og2 s SER 336 N -3.00 5.94 0.98 -2.89 1.04 -1.26 -4.68 113.70 109.83 1og2 s SER 336 Ca 0.69 0.02 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 1og2 s SER 336 Cb -0.17 -1.68 0.18 0.00 0.10 0.00 0.00 66.02 64.45 1og2 s SER 336 CO 0.60 0.05 1.08 -2.84 0.98 0.00 0.00 173.24 173.11 1og2 s PRO 337 N -3.24 0.57 0.35 4.02 0.02 -1.26 -5.01 135.00 130.45 1og2 s PRO 337 Ca 0.33 0.90 -0.16 0.00 0.02 0.00 0.00 61.00 62.09 1og2 s PRO 337 Cb -0.10 -1.72 0.04 0.00 0.02 0.00 0.00 34.50 32.73 1og2 s PRO 337 CO 0.26 -2.73 0.74 0.00 -0.33 0.00 0.00 177.00 174.94 1og2 h MET 339 N 2.02 0.14 -0.11 0.00 2.86 -1.98 -2.62 114.93 115.24 1og2 h MET 339 Ca -0.29 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.27 1og2 h MET 339 Cb 1.25 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 1og2 h MET 339 CO 0.36 0.77 0.10 1.96 1.06 0.00 0.00 176.91 181.17 1og2 h GLN 340 N 0.09 0.00 0.00 1.72 4.20 -2.03 -1.43 115.11 117.67 1og2 h GLN 340 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1og2 h GLN 340 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1og2 h GLN 340 CO 0.10 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.01 1og2 n ASP 341 N -4.02 0.53 0.08 1.46 8.00 -0.98 -3.80 116.55 117.80 1og2 n ASP 341 Ca -0.00 0.64 -0.18 0.00 0.71 0.00 0.00 54.79 55.96 1og2 n ASP 341 Cb 0.21 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 1og2 n ASP 341 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1og2 h ARG 342 N 0.00 0.50 -0.32 -1.24 2.43 -1.42 -2.89 114.38 111.44 1og2 h ARG 342 Ca 0.00 -0.62 0.09 0.00 -0.81 0.00 0.00 59.98 58.64 1og2 h ARG 342 Cb 0.30 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1og2 h ARG 342 CO 0.00 1.25 0.23 0.66 -1.51 0.00 0.00 179.97 180.60 1og2 h SER 343 N 0.24 0.02 -0.49 -3.80 4.64 -1.75 -1.30 113.55 111.12 1og2 h SER 343 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1og2 h SER 343 Cb 1.78 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1og2 h SER 343 CO 0.20 0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.59 1og2 n HIS 344 N -4.45 0.71 -3.20 4.77 8.25 -1.10 -4.54 115.22 115.65 1og2 n HIS 344 Ca 0.05 -0.34 -0.24 0.00 -0.26 0.00 0.00 57.72 56.93 1og2 n HIS 344 Cb 0.38 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 1og2 n HIS 344 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1og2 n MET 345 N 0.92 1.67 -0.13 -0.41 2.00 -0.49 -4.96 117.12 115.73 1og2 n MET 345 Ca 0.17 -3.91 -0.09 0.00 0.00 0.00 0.00 57.70 53.87 1og2 n MET 345 Cb 0.45 -1.77 -0.01 0.00 0.00 0.00 0.00 33.22 31.89 1og2 n MET 345 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1og2 h PRO 346 N 3.63 0.55 -0.90 0.03 0.11 -1.80 -1.59 132.00 132.04 1og2 h PRO 346 Ca 0.12 -0.08 0.17 0.00 0.11 0.00 0.00 66.00 66.33 1og2 h PRO 346 Cb 0.78 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.69 1og2 h PRO 346 CO 0.63 0.47 0.47 -0.92 -0.21 0.00 0.00 178.00 178.44 1og2 h TYR 347 N 0.48 0.82 -0.04 0.65 3.20 -1.95 0.40 116.97 120.54 1og2 h TYR 347 Ca 0.13 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 61.81 1og2 h TYR 347 Cb 0.10 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.15 1og2 h TYR 347 CO -0.02 0.15 -0.90 1.15 -1.64 0.00 0.00 178.16 176.90 1og2 h THR 348 N 0.62 1.34 -0.06 1.81 2.02 -1.77 -0.82 112.91 116.05 1og2 h THR 348 Ca 0.51 -2.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 1og2 h THR 348 Cb 0.79 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1og2 h THR 348 CO -0.40 0.69 -0.08 -0.78 0.37 0.00 0.00 175.52 175.32 1og2 h ASP 349 N 0.34 0.09 0.01 4.18 3.58 -0.83 -1.77 116.42 122.02 1og2 h ASP 349 Ca -0.08 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.28 1og2 h ASP 349 Cb 1.53 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 42.56 1og2 h ASP 349 CO 0.17 0.18 -0.30 0.00 -2.88 0.00 0.00 179.24 176.41 1og2 h ALA 350 N 1.83 0.02 -0.53 -0.78 0.00 -0.45 -2.31 119.26 117.03 1og2 h ALA 350 Ca 0.02 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.53 1og2 h ALA 350 Cb 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1og2 h ALA 350 CO 0.01 0.12 0.05 0.28 0.00 0.00 0.00 179.25 179.72 1og2 h VAL 351 N -0.51 0.63 -0.19 0.00 2.07 -1.05 0.25 116.25 117.45 1og2 h VAL 351 Ca -0.04 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1og2 h VAL 351 Cb 1.08 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1og2 h VAL 351 CO 0.06 0.03 0.09 0.58 0.02 0.00 0.00 177.57 178.35 1og2 h VAL 352 N 0.17 1.13 -0.87 2.57 2.07 -1.36 0.06 116.25 120.03 1og2 h VAL 352 Ca 0.27 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1og2 h VAL 352 Cb 0.41 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1og2 h VAL 352 CO -0.41 0.13 0.54 0.45 0.02 0.00 0.00 177.57 178.30 1og2 h HIS 353 N 0.17 1.00 0.00 1.57 3.86 -1.08 -2.52 115.15 118.16 1og2 h HIS 353 Ca 0.06 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.16 1og2 h HIS 353 Cb 0.12 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1og2 h HIS 353 CO -0.03 0.51 -0.72 1.49 0.86 0.00 0.00 177.93 180.04 1og2 h GLU 354 N 0.99 0.00 -0.03 2.45 4.57 0.04 -2.46 114.58 120.14 1og2 h GLU 354 Ca 0.38 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1og2 h GLU 354 Cb 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1og2 h GLU 354 CO -0.17 0.60 0.02 0.28 -1.18 0.00 0.00 179.01 178.55 1og2 h VAL 355 N 0.00 1.08 -0.50 0.32 2.07 -0.84 -2.09 116.25 116.28 1og2 h VAL 355 Ca -0.03 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1og2 h VAL 355 Cb 1.50 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1og2 h VAL 355 CO 0.08 0.06 0.10 1.56 0.02 0.00 0.00 177.57 179.39 1og2 h GLN 356 N -0.04 0.78 -0.02 1.57 4.20 -1.11 -2.46 115.11 118.03 1og2 h GLN 356 Ca 0.01 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 1og2 h GLN 356 Cb 0.09 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.76 1og2 h GLN 356 CO -0.00 0.72 -0.36 -0.09 -0.67 0.00 0.00 178.83 178.43 1og2 h ARG 357 N 0.75 0.28 0.16 1.46 2.43 -1.48 -3.11 114.38 114.86 1og2 h ARG 357 Ca 0.16 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1og2 h ARG 357 Cb 0.31 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1og2 h ARG 357 CO 0.00 0.96 -0.18 -0.92 -1.51 0.00 0.00 179.97 178.33 1og2 h TYR 358 N -0.30 -0.46 0.00 2.20 5.03 -1.25 -3.24 116.97 118.94 1og2 h TYR 358 Ca -0.04 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.23 1og2 h TYR 358 Cb 1.07 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 1og2 h TYR 358 CO 0.16 -0.26 -0.20 -0.84 -1.32 0.00 0.00 178.16 175.69 1og2 h ILE 359 N -0.37 0.45 -6.77 1.81 3.07 -1.54 -3.48 117.51 110.67 1og2 h ILE 359 Ca 0.01 -1.13 -0.53 0.00 1.55 0.00 0.00 64.86 64.76 1og2 h ILE 359 Cb 0.36 1.81 -0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1og2 h ILE 359 CO -0.06 0.19 -1.01 -0.67 -1.05 0.00 0.00 178.15 175.55 1og2 n ASP 360 N -3.30 -4.60 0.20 2.16 4.64 -1.18 -4.84 116.55 109.64 1og2 n ASP 360 Ca 0.01 -1.12 0.08 0.00 -1.38 0.00 0.00 54.79 52.37 1og2 n ASP 360 Cb 0.45 -1.90 0.39 0.00 -1.04 0.00 0.00 41.12 39.02 1og2 n ASP 360 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1og2 h LEU 361 N -1.63 0.00 -6.52 -2.67 4.07 -1.90 -3.30 115.31 103.36 1og2 h LEU 361 Ca -0.66 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 56.70 1og2 h LEU 361 Cb 1.39 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.72 1og2 h LEU 361 CO 0.45 0.30 -0.71 0.18 -1.08 0.00 0.00 178.44 177.58 1og2 n LEU 362 N -3.46 2.35 0.06 1.67 4.77 -1.26 -3.58 117.00 117.56 1og2 n LEU 362 Ca 0.00 -5.09 0.20 0.00 -0.03 0.00 0.00 56.01 51.09 1og2 n LEU 362 Cb 0.47 -0.34 0.74 0.00 -2.33 0.00 0.00 43.42 41.97 1og2 n LEU 362 CO 0.35 1.92 1.18 -0.65 -1.33 0.00 0.00 177.39 178.86 1og2 h PRO 363 N 4.82 0.00 -1.01 3.23 0.11 -1.77 -1.78 132.00 135.60 1og2 h PRO 363 Ca 0.17 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.83 1og2 h PRO 363 Cb 0.76 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.46 1og2 h PRO 363 CO 0.67 0.00 -0.95 0.25 -0.21 0.00 0.00 178.00 177.76 1og2 n THR 364 N -3.98 1.81 0.00 -1.15 -2.24 -1.26 -0.93 114.28 106.53 1og2 n THR 364 Ca 0.08 -3.88 0.00 0.00 -2.27 0.00 0.00 64.05 57.98 1og2 n THR 364 Cb 0.59 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1og2 n THR 364 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1og2 n SER 365 N -0.43 0.00 -4.38 3.42 3.41 -0.67 -4.28 113.62 110.69 1og2 n SER 365 Ca 0.26 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.59 1og2 n SER 365 Cb 0.80 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.62 1og2 n SER 365 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1og2 s LEU 366 N 0.00 2.34 0.19 1.04 1.02 -1.26 -4.94 118.68 117.08 1og2 s LEU 366 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 54.13 53.08 1og2 s LEU 366 Cb 0.00 -1.16 -0.09 0.00 0.02 0.00 0.00 46.19 44.96 1og2 s LEU 366 CO 0.00 0.15 1.34 -2.84 0.02 0.00 0.00 176.35 175.02 1og2 s PRO 367 N -2.19 4.36 0.59 1.29 0.02 -1.26 -4.78 135.00 133.02 1og2 s PRO 367 Ca 0.15 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.29 1og2 s PRO 367 Cb -0.09 -3.20 0.11 0.00 0.02 0.00 0.00 34.50 31.34 1og2 s PRO 367 CO 0.07 -0.31 0.81 0.72 -0.33 0.00 0.00 177.00 177.96 1og2 n HIS 368 N 2.85 -2.69 -3.64 6.54 8.25 0.15 -2.00 115.22 124.68 1og2 n HIS 368 Ca 0.07 -1.72 -0.09 0.00 -0.26 0.00 0.00 57.72 55.72 1og2 n HIS 368 Cb 0.42 -0.57 -0.07 0.00 1.12 0.00 0.00 29.99 30.89 1og2 n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1og2 s ALA 369 N -2.89 -1.94 0.51 -1.41 0.00 0.15 -1.07 121.76 115.10 1og2 s ALA 369 Ca 0.57 2.04 -0.19 0.00 0.00 0.00 0.00 51.96 54.37 1og2 s ALA 369 Cb -0.04 -1.40 -0.07 0.00 0.00 0.00 0.00 23.12 21.61 1og2 s ALA 369 CO 0.37 -0.30 1.04 0.14 0.00 0.00 0.00 175.76 177.01 1og2 s VAL 370 N 0.60 3.85 -0.24 0.00 -7.23 -1.05 -2.01 120.40 114.33 1og2 s VAL 370 Ca -0.01 1.08 0.19 0.00 -1.81 0.00 0.00 61.98 61.42 1og2 s VAL 370 Cb -0.05 -3.45 0.08 0.00 0.56 0.00 0.00 36.38 33.52 1og2 s VAL 370 CO -0.07 -0.33 1.28 0.74 -0.31 0.00 0.00 175.10 176.41 1og2 h THR 371 N 1.29 0.40 -2.30 5.32 2.02 -1.16 -1.09 112.91 117.38 1og2 h THR 371 Ca -0.49 -1.62 0.19 0.00 0.77 0.00 0.00 66.41 65.26 1og2 h THR 371 Cb 1.22 2.05 -0.07 0.00 -1.74 0.00 0.00 68.15 69.61 1og2 h THR 371 CO 0.59 0.23 0.55 0.00 0.37 0.00 0.00 175.52 177.25 1og2 n ASP 373 N -0.69 3.90 -3.68 0.00 9.92 -1.26 -3.85 116.55 120.89 1og2 n ASP 373 Ca -0.05 1.10 -0.12 0.00 -0.53 0.00 0.00 54.79 55.19 1og2 n ASP 373 Cb 0.61 -1.58 -0.09 0.00 -0.64 0.00 0.00 41.12 39.42 1og2 n ASP 373 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1og2 s ILE 374 N 0.57 -0.01 -0.15 0.53 1.10 -0.60 -4.88 121.20 117.76 1og2 s ILE 374 Ca 0.70 0.02 -0.25 0.00 -0.51 0.00 0.00 60.65 60.60 1og2 s ILE 374 Cb -0.51 -0.79 -0.02 0.00 0.15 0.00 0.00 42.46 41.30 1og2 s ILE 374 CO 0.41 0.01 0.82 -0.75 -2.11 0.00 0.00 174.94 173.32 1og2 s LYS 375 N 0.77 4.32 -0.12 3.50 2.20 -1.26 0.15 119.74 129.31 1og2 s LYS 375 Ca -0.04 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1og2 s LYS 375 Cb -0.05 -3.56 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1og2 s LYS 375 CO -0.06 -0.28 -0.10 0.12 -0.36 0.00 0.00 175.35 174.67 1og2 s PHE 376 N 1.99 1.66 -1.56 4.03 5.36 -1.26 -4.67 117.98 123.53 1og2 s PHE 376 Ca 0.39 -0.84 -0.10 0.00 -0.96 0.00 0.00 56.93 55.41 1og2 s PHE 376 Cb -0.17 -1.31 0.08 0.00 -0.34 0.00 0.00 43.02 41.28 1og2 s PHE 376 CO 0.13 -0.53 0.68 0.54 -1.46 0.00 0.00 175.22 174.58 1og2 n ARG 377 N 4.77 -3.62 -3.57 10.12 5.12 -1.26 -1.86 116.66 126.35 1og2 n ARG 377 Ca -0.15 0.42 -0.19 0.00 -1.93 0.00 0.00 57.85 56.00 1og2 n ARG 377 Cb 0.50 -4.94 0.06 0.00 -1.16 0.00 0.00 32.46 26.92 1og2 n ARG 377 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1og2 n ASN 378 N -2.82 -1.65 0.00 0.55 4.05 -1.26 -4.97 115.26 109.16 1og2 n ASN 378 Ca -0.08 -0.72 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1og2 n ASN 378 Cb 0.57 -4.58 0.00 0.00 1.23 0.00 0.00 39.78 37.01 1og2 n ASN 378 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1og2 n TYR 379 N -4.21 0.00 -2.42 1.20 0.53 -0.78 -5.01 117.16 106.47 1og2 n TYR 379 Ca -0.29 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.57 1og2 n TYR 379 Cb 0.67 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.97 1og2 n TYR 379 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 1og2 n LEU 380 N -1.07 -6.10 -3.94 7.72 7.94 -1.25 -4.20 117.00 116.09 1og2 n LEU 380 Ca 0.00 2.59 -0.30 0.00 -1.11 0.00 0.00 56.01 57.19 1og2 n LEU 380 Cb 0.00 -3.14 -0.16 0.00 0.53 0.00 0.00 43.42 40.65 1og2 n LEU 380 CO 0.00 -3.18 -0.44 -0.63 -1.11 0.00 0.00 177.39 172.04 1og2 s ILE 381 N -0.57 1.44 0.47 1.96 1.01 0.12 -4.81 121.20 120.82 1og2 s ILE 381 Ca -0.08 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 1og2 s ILE 381 Cb 0.01 -1.61 -0.08 0.00 0.01 0.00 0.00 42.46 40.79 1og2 s ILE 381 CO 0.21 0.06 1.09 -2.16 0.00 0.00 0.00 174.94 174.14 1og2 s PRO 382 N 1.47 3.79 0.07 2.79 0.04 -1.26 -1.56 135.00 140.33 1og2 s PRO 382 Ca -0.02 1.54 -0.37 0.00 0.04 0.00 0.00 61.00 62.19 1og2 s PRO 382 Cb -0.17 -2.25 -0.19 0.00 0.04 0.00 0.00 34.50 31.93 1og2 s PRO 382 CO -0.07 -0.47 1.02 1.17 0.04 0.00 0.00 177.00 178.68 1og2 n LYS 383 N -0.71 0.27 -0.98 4.56 4.81 -1.25 -1.79 118.16 123.08 1og2 n LYS 383 Ca 0.08 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1og2 n LYS 383 Cb 0.50 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1og2 n LYS 383 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1og2 n GLY 384 N 1.77 0.68 3.71 3.14 0.00 -0.41 -4.92 105.19 109.15 1og2 n GLY 384 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1og2 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1og2 s THR 385 N -2.82 3.21 0.25 2.61 2.01 -0.74 -4.74 115.64 115.43 1og2 s THR 385 Ca 0.00 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 1og2 s THR 385 Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1og2 s THR 385 CO 0.00 0.05 1.25 -0.89 -0.69 0.00 0.00 174.62 174.34 1og2 s THR 386 N 1.47 3.18 -0.13 -0.82 2.01 -1.26 -2.52 115.64 117.58 1og2 s THR 386 Ca 0.66 1.07 0.02 0.00 0.31 0.00 0.00 61.69 63.75 1og2 s THR 386 Cb -0.38 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.45 1og2 s THR 386 CO 0.30 0.21 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.62 1og2 s ILE 387 N -0.53 2.43 -0.35 1.82 -1.09 -0.24 -1.41 121.20 121.85 1og2 s ILE 387 Ca 0.51 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.95 1og2 s ILE 387 Cb -0.36 -1.98 0.01 0.00 -1.58 0.00 0.00 42.46 38.54 1og2 s ILE 387 CO 0.43 0.54 0.19 -0.76 -1.23 0.00 0.00 174.94 174.11 1og2 s LEU 388 N 0.52 4.46 -0.10 2.97 1.43 -0.54 -0.67 118.68 126.75 1og2 s LEU 388 Ca -0.12 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 1og2 s LEU 388 Cb -0.17 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1og2 s LEU 388 CO 0.05 -0.29 1.11 -0.63 0.23 0.00 0.00 176.35 176.82 1og2 s ILE 389 N 1.61 4.51 -0.91 -0.59 -1.09 -1.26 -1.41 121.20 122.05 1og2 s ILE 389 Ca 0.04 1.81 -0.21 0.00 -2.23 0.00 0.00 60.65 60.06 1og2 s ILE 389 Cb -0.18 -4.16 0.10 0.00 -1.58 0.00 0.00 42.46 36.64 1og2 s ILE 389 CO 0.07 -0.03 1.20 -0.55 -1.23 0.00 0.00 174.94 174.40 1og2 s SER 390 N 1.35 6.52 0.51 3.58 0.15 -0.83 -3.56 113.70 121.41 1og2 s SER 390 Ca 0.52 -1.69 0.16 0.00 0.70 0.00 0.00 55.95 55.64 1og2 s SER 390 Cb -0.21 -2.45 1.24 0.00 -1.71 0.00 0.00 66.02 62.88 1og2 s SER 390 CO 0.18 -1.26 2.13 -0.07 1.20 0.00 0.00 173.24 175.42 1og2 h LEU 391 N 11.28 0.00 -1.10 3.45 3.38 -1.28 -2.85 115.31 128.19 1og2 h LEU 391 Ca 0.09 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1og2 h LEU 391 Cb 1.03 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1og2 h LEU 391 CO 1.21 0.02 0.61 0.74 0.09 0.00 0.00 178.44 181.11 1og2 h THR 392 N 0.01 1.07 -0.00 0.22 2.02 -1.74 -1.05 112.91 113.43 1og2 h THR 392 Ca 0.00 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 1og2 h THR 392 Cb 0.03 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 1og2 h THR 392 CO 0.00 0.20 -0.41 0.77 0.37 0.00 0.00 175.52 176.45 1og2 h SER 393 N 1.08 0.00 0.04 4.18 4.64 -1.76 0.36 113.55 122.08 1og2 h SER 393 Ca 0.41 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.64 1og2 h SER 393 Cb 0.19 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1og2 h SER 393 CO -0.16 0.41 -0.38 0.58 -0.87 0.00 0.00 176.83 176.41 1og2 h VAL 394 N 0.00 1.61 0.00 0.95 2.07 -1.54 -2.89 116.25 116.45 1og2 h VAL 394 Ca -0.00 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.10 1og2 h VAL 394 Cb 0.72 3.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1og2 h VAL 394 CO 0.05 0.62 -0.16 -0.07 0.02 0.00 0.00 177.57 178.03 1og2 h LEU 395 N -0.81 0.00 -2.88 2.57 4.07 -1.07 -3.05 115.31 114.13 1og2 h LEU 395 Ca -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1og2 h LEU 395 Cb 1.22 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.94 1og2 h LEU 395 CO 0.02 0.16 -0.24 1.41 -1.08 0.00 0.00 178.44 178.71 1og2 n HIS 396 N -3.58 0.00 -1.69 1.13 8.25 0.10 -4.83 115.22 114.60 1og2 n HIS 396 Ca -0.01 -0.99 -0.59 0.00 -0.26 0.00 0.00 57.72 55.87 1og2 n HIS 396 Cb 0.30 -0.16 -0.08 0.00 1.12 0.00 0.00 29.99 31.17 1og2 n HIS 396 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1og2 n ASP 397 N -1.09 1.91 0.23 0.41 -0.08 -1.09 -4.78 116.55 112.06 1og2 n ASP 397 Ca 0.14 1.11 0.14 0.00 -1.51 0.00 0.00 54.79 54.68 1og2 n ASP 397 Cb 0.69 -1.08 0.80 0.00 2.34 0.00 0.00 41.12 43.86 1og2 n ASP 397 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1og2 h ASN 398 N 6.15 0.00 0.01 1.67 -0.00 -1.87 -2.34 115.58 119.21 1og2 h ASN 398 Ca -0.46 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 55.47 1og2 h ASN 398 Cb 1.34 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.60 1og2 h ASN 398 CO 0.92 0.00 -2.07 1.17 -0.00 0.00 0.00 177.43 177.45 1og2 n LYS 399 N -4.06 0.61 -0.01 6.67 4.81 -1.26 -3.72 118.16 121.20 1og2 n LYS 399 Ca -0.01 0.35 -0.03 0.00 -0.87 0.00 0.00 58.31 57.75 1og2 n LYS 399 Cb 0.20 -1.60 0.21 0.00 0.02 0.00 0.00 35.03 33.86 1og2 n LYS 399 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1og2 h GLU 400 N -0.75 0.54 -3.18 1.64 4.57 -1.96 -3.36 114.58 112.08 1og2 h GLU 400 Ca -0.54 -0.18 -0.63 0.00 -1.18 0.00 0.00 59.36 56.83 1og2 h GLU 400 Cb 1.60 -0.05 -0.41 0.00 -0.16 0.00 0.00 28.75 29.74 1og2 h GLU 400 CO -0.26 0.69 -0.65 -0.06 -1.18 0.00 0.00 179.01 177.56 1og2 s PHE 401 N -4.65 2.95 0.37 0.92 0.40 -0.88 -5.03 117.98 112.06 1og2 s PHE 401 Ca -0.07 -3.03 0.15 0.00 -0.60 0.00 0.00 56.93 53.38 1og2 s PHE 401 Cb 0.14 -2.52 1.02 0.00 0.51 0.00 0.00 43.02 42.17 1og2 s PHE 401 CO 0.79 -0.70 1.77 -1.35 0.70 0.00 0.00 175.22 176.42 1og2 h PRO 402 N 6.22 0.46 -2.95 0.24 0.11 -1.72 -2.57 132.00 131.78 1og2 h PRO 402 Ca 0.01 -0.03 -0.63 0.00 0.11 0.00 0.00 66.00 65.46 1og2 h PRO 402 Cb 0.86 -0.10 -0.41 0.00 0.11 0.00 0.00 31.00 31.46 1og2 h PRO 402 CO 0.64 0.30 -0.48 0.09 -0.21 0.00 0.00 178.00 178.34 1og2 n ASN 403 N -4.69 3.41 0.27 -2.05 3.02 -1.26 -4.93 115.26 109.03 1og2 n ASN 403 Ca 0.25 -3.25 0.16 0.00 -0.03 0.00 0.00 54.58 51.71 1og2 n ASN 403 Cb 0.81 -0.80 0.68 0.00 -0.61 0.00 0.00 39.78 39.87 1og2 n ASN 403 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1og2 h PRO 404 N 5.25 0.00 -0.64 3.52 0.11 -1.76 -1.03 132.00 137.45 1og2 h PRO 404 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1og2 h PRO 404 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1og2 h PRO 404 CO 0.77 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 1og2 n GLU 405 N -3.20 3.13 -5.05 1.05 1.02 -1.26 -4.86 120.64 111.47 1og2 n GLU 405 Ca 0.00 -2.41 -0.32 0.00 -0.02 0.00 0.00 57.16 54.41 1og2 n GLU 405 Cb 0.31 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 1og2 n GLU 405 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1og2 s MET 406 N -1.64 2.40 -0.39 3.49 -1.94 -0.39 -5.10 119.30 115.73 1og2 s MET 406 Ca 0.44 -0.79 -0.26 0.00 -1.71 0.00 0.00 55.69 53.37 1og2 s MET 406 Cb 0.27 -2.26 0.02 0.00 2.01 0.00 0.00 34.83 34.86 1og2 s MET 406 CO 0.23 0.57 0.96 0.12 -0.01 0.00 0.00 175.02 176.89 1og2 s PHE 407 N -0.62 3.04 -0.27 -0.03 5.36 -1.26 -4.93 117.98 119.26 1og2 s PHE 407 Ca 0.09 0.74 -0.00 0.00 -0.96 0.00 0.00 56.93 56.80 1og2 s PHE 407 Cb -0.11 -3.77 0.16 0.00 -0.34 0.00 0.00 43.02 38.96 1og2 s PHE 407 CO 0.00 -0.90 0.47 0.34 -1.46 0.00 0.00 175.22 173.67 1og2 s ASP 408 N 1.97 -0.38 0.58 6.13 3.68 -1.26 -5.02 116.67 122.37 1og2 s ASP 408 Ca 0.39 0.28 0.28 0.00 2.13 0.00 0.00 52.55 55.63 1og2 s ASP 408 Cb -0.11 1.50 1.54 0.00 -1.45 0.00 0.00 42.92 44.40 1og2 s ASP 408 CO 0.21 -0.30 1.98 -0.65 0.13 0.00 0.00 175.17 176.54 1og2 h PRO 409 N 8.11 0.00 0.00 4.34 0.11 -1.94 -0.81 132.00 141.81 1og2 h PRO 409 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1og2 h PRO 409 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1og2 h PRO 409 CO 0.25 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.49 1og2 h HIS 410 N 0.00 0.00 -0.51 0.65 3.86 -1.93 0.14 115.15 117.36 1og2 h HIS 410 Ca 0.17 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.53 1og2 h HIS 410 Cb 0.90 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1og2 h HIS 410 CO 0.00 0.00 0.47 0.45 0.86 0.00 0.00 177.93 179.71 1og2 h HIS 411 N 0.00 0.00 0.00 2.45 3.86 -1.54 -2.18 115.15 117.74 1og2 h HIS 411 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1og2 h HIS 411 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1og2 h HIS 411 CO 0.00 0.00 -0.12 1.19 0.86 0.00 0.00 177.93 179.86 1og2 n PHE 412 N -3.91 0.00 -4.69 2.45 3.01 0.03 -4.97 117.46 109.39 1og2 n PHE 412 Ca 0.10 -0.98 -0.30 0.00 1.01 0.00 0.00 57.45 57.28 1og2 n PHE 412 Cb 0.68 -0.16 -0.14 0.00 -0.01 0.00 0.00 39.48 39.86 1og2 n PHE 412 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1og2 s LEU 413 N -2.65 2.36 0.00 4.37 1.43 -0.82 0.05 118.68 123.42 1og2 s LEU 413 Ca 0.30 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1og2 s LEU 413 Cb 0.27 -1.35 0.11 0.00 0.03 0.00 0.00 46.19 45.25 1og2 s LEU 413 CO 0.01 0.24 0.68 -0.90 0.23 0.00 0.00 176.35 176.60 1og2 n ASP 414 N 1.46 0.29 -0.10 2.29 3.85 -0.39 -4.84 116.55 119.12 1og2 n ASP 414 Ca -0.17 -1.39 -0.03 0.00 -0.71 0.00 0.00 54.79 52.49 1og2 n ASP 414 Cb 0.52 -0.49 0.20 0.00 -1.35 0.00 0.00 41.12 40.00 1og2 n ASP 414 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1og2 h GLU 415 N 0.00 0.76 0.00 0.11 9.09 -1.97 -3.41 114.58 119.15 1og2 h GLU 415 Ca -0.22 -0.17 -0.16 0.00 0.05 0.00 0.00 59.36 58.86 1og2 h GLU 415 Cb 0.66 -0.11 0.08 0.00 -1.65 0.00 0.00 28.75 27.73 1og2 h GLU 415 CO 0.18 0.72 0.05 0.41 0.05 0.00 0.00 179.01 180.43 1og2 n GLY 416 N -0.80 -2.48 0.67 1.06 0.00 -1.26 -4.91 105.19 97.47 1og2 n GLY 416 Ca 0.03 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.58 1og2 n GLY 416 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og2 n GLY 417 N -0.21 1.54 3.83 -0.02 0.00 -1.26 -4.96 105.19 104.10 1og2 n GLY 417 Ca 0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1og2 n GLY 417 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1og2 s ASN 418 N -0.20 6.76 0.16 1.61 -0.87 -1.26 -4.37 114.94 116.77 1og2 s ASN 418 Ca 0.08 1.59 -0.30 0.00 -1.57 0.00 0.00 52.86 52.66 1og2 s ASN 418 Cb 0.06 -2.51 -0.07 0.00 -0.02 0.00 0.00 41.25 38.71 1og2 s ASN 418 CO 0.03 -0.46 1.09 0.12 -2.57 0.00 0.00 177.10 175.30 1og2 s PHE 419 N -2.39 3.61 -0.31 2.20 5.36 -1.26 -1.26 117.98 123.93 1og2 s PHE 419 Ca 0.60 1.61 0.03 0.00 -0.96 0.00 0.00 56.93 58.21 1og2 s PHE 419 Cb -0.10 -3.25 0.08 0.00 -0.34 0.00 0.00 43.02 39.42 1og2 s PHE 419 CO 0.23 -0.54 -0.01 0.21 -1.46 0.00 0.00 175.22 173.65 1og2 s LYS 420 N -0.21 1.71 0.75 10.12 2.20 0.11 -4.83 119.74 129.58 1og2 s LYS 420 Ca 0.50 -1.62 -0.14 0.00 -0.36 0.00 0.00 55.97 54.35 1og2 s LYS 420 Cb -0.28 -3.01 0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1og2 s LYS 420 CO 0.34 -0.80 1.18 -1.59 -0.36 0.00 0.00 175.35 174.11 1og2 s LYS 421 N 1.03 2.08 -0.02 4.03 -2.85 -1.26 -4.61 119.74 118.13 1og2 s LYS 421 Ca 0.03 1.63 0.02 0.00 -1.00 0.00 0.00 55.97 56.66 1og2 s LYS 421 Cb -0.19 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1og2 s LYS 421 CO -0.08 -1.85 -0.08 0.45 0.10 0.00 0.00 175.35 173.90 1og2 s SER 422 N -2.30 1.02 0.00 0.03 0.15 -1.26 -5.00 113.70 106.33 1og2 s SER 422 Ca 0.71 -0.15 0.17 0.00 0.70 0.00 0.00 55.95 57.38 1og2 s SER 422 Cb -0.26 -0.26 0.76 0.00 -1.71 0.00 0.00 66.02 64.55 1og2 s SER 422 CO 0.47 0.05 1.53 2.29 1.20 0.00 0.00 173.24 178.78 1og2 n LYS 423 N 3.27 0.07 -0.18 5.44 2.85 -1.26 -1.82 118.16 126.53 1og2 n LYS 423 Ca -0.18 0.19 0.06 0.00 -1.05 0.00 0.00 58.31 57.33 1og2 n LYS 423 Cb 0.55 -1.50 0.16 0.00 -0.65 0.00 0.00 35.03 33.59 1og2 n LYS 423 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1og2 n TYR 424 N -1.44 0.47 -3.13 5.58 4.01 -1.26 -4.71 117.16 116.69 1og2 n TYR 424 Ca 0.05 -0.24 -0.45 0.00 -0.16 0.00 0.00 57.90 57.11 1og2 n TYR 424 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 1og2 n TYR 424 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1og2 s PHE 425 N -1.53 3.20 -0.27 -0.72 5.36 -0.76 -4.03 117.98 119.24 1og2 s PHE 425 Ca 0.24 -1.30 0.16 0.00 -0.96 0.00 0.00 56.93 55.07 1og2 s PHE 425 Cb 0.13 -4.02 0.48 0.00 -0.34 0.00 0.00 43.02 39.27 1og2 s PHE 425 CO 0.17 -1.26 1.15 -1.33 -1.46 0.00 0.00 175.22 172.48 1og2 n MET 426 N 5.81 2.54 0.09 10.12 2.81 -1.26 -4.87 117.12 132.36 1og2 n MET 426 Ca 0.03 -3.77 0.10 0.00 -1.81 0.00 0.00 57.70 52.25 1og2 n MET 426 Cb 0.45 -1.88 0.43 0.00 -0.71 0.00 0.00 33.22 31.51 1og2 n MET 426 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1og2 n PRO 427 N -0.64 0.13 -0.43 0.03 -0.04 -1.26 -0.88 135.00 131.91 1og2 n PRO 427 Ca 0.24 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 1og2 n PRO 427 Cb 0.88 -1.75 0.30 0.00 -0.04 0.00 0.00 33.50 32.89 1og2 n PRO 427 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1og2 n PHE 428 N -2.00 1.07 -4.74 0.54 3.01 -1.26 -4.88 117.46 109.20 1og2 n PHE 428 Ca 0.03 -0.57 0.00 0.00 1.01 0.00 0.00 57.45 57.92 1og2 n PHE 428 Cb 0.22 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1og2 n PHE 428 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1og2 n SER 429 N 1.06 -0.17 -3.55 4.37 2.88 -0.06 -2.08 113.62 116.07 1og2 n SER 429 Ca 0.22 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.67 1og2 n SER 429 Cb 0.71 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.13 1og2 n SER 429 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1og2 s ALA 430 N -1.74 -1.90 0.00 -1.46 0.00 -1.26 -4.75 121.76 110.64 1og2 s ALA 430 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1og2 s ALA 430 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1og2 s ALA 430 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1og2 n GLY 431 N 0.24 -1.26 0.12 0.00 0.00 -1.26 -4.31 105.19 98.72 1og2 n GLY 431 Ca -0.08 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.63 1og2 n GLY 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1og2 n LYS 432 N 0.00 0.15 -0.26 1.61 5.02 -1.26 -2.20 118.16 121.22 1og2 n LYS 432 Ca 0.00 0.49 0.06 0.00 -2.02 0.00 0.00 58.31 56.84 1og2 n LYS 432 Cb 0.00 -1.85 0.18 0.00 -0.02 0.00 0.00 35.03 33.34 1og2 n LYS 432 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1og2 n ARG 433 N -2.14 2.88 -1.64 1.97 5.12 -1.26 -5.04 116.66 116.55 1og2 n ARG 433 Ca 0.01 -2.30 -0.43 0.00 -1.93 0.00 0.00 57.85 53.20 1og2 n ARG 433 Cb 0.14 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 29.98 1og2 n ARG 433 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1og2 n ILE 434 N 0.10 2.17 -1.28 0.55 3.06 -0.94 -4.76 119.36 118.27 1og2 n ILE 434 Ca 0.14 -0.50 -0.50 0.00 -2.50 0.00 0.00 62.75 59.39 1og2 n ILE 434 Cb 0.58 -1.26 -0.07 0.00 0.54 0.00 0.00 39.64 39.43 1og2 n ILE 434 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1og2 h VAL 436 N 2.78 0.28 -0.59 0.00 2.07 -1.93 -3.07 116.25 115.78 1og2 h VAL 436 Ca -0.41 -0.66 -0.26 0.00 0.82 0.00 0.00 66.70 66.19 1og2 h VAL 436 Cb 1.18 1.51 -0.15 0.00 -1.52 0.00 0.00 31.29 32.30 1og2 h VAL 436 CO 0.59 0.09 0.20 0.61 0.02 0.00 0.00 177.57 179.08 1og2 n GLY 437 N -0.18 4.45 0.38 2.17 0.00 -1.26 -4.72 105.19 106.04 1og2 n GLY 437 Ca -0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1og2 n GLY 437 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1og2 h GLU 438 N 1.42 -0.52 -0.75 1.61 4.81 -1.91 -0.07 114.58 119.17 1og2 h GLU 438 Ca 0.32 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1og2 h GLU 438 Cb 2.10 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 31.56 1og2 h GLU 438 CO 0.63 -0.35 0.48 0.00 -0.73 0.00 0.00 179.01 179.04 1og2 h ALA 439 N 0.06 0.96 -0.09 2.92 0.00 -1.89 -1.14 119.26 120.08 1og2 h ALA 439 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1og2 h ALA 439 Cb 0.63 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1og2 h ALA 439 CO -0.30 0.40 0.02 1.25 0.00 0.00 0.00 179.25 180.62 1og2 h LEU 440 N 1.02 0.13 -0.92 0.00 5.85 -1.74 -0.81 115.31 118.84 1og2 h LEU 440 Ca 0.27 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1og2 h LEU 440 Cb -0.08 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 1og2 h LEU 440 CO -0.06 0.31 0.56 0.00 -0.34 0.00 0.00 178.44 178.92 1og2 h ALA 441 N 0.82 1.34 -0.54 1.25 0.00 -0.91 0.29 119.26 121.50 1og2 h ALA 441 Ca 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1og2 h ALA 441 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1og2 h ALA 441 CO -0.00 0.21 0.34 0.78 0.00 0.00 0.00 179.25 180.58 1og2 h GLY 442 N 0.94 0.77 1.00 0.00 0.00 -0.63 -0.60 103.07 104.56 1og2 h GLY 442 Ca 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1og2 h GLY 442 CO -0.24 0.30 0.41 -0.33 0.00 0.00 0.00 176.54 176.68 1og2 h MET 443 N 0.73 0.98 -0.30 4.80 2.07 -0.43 -1.70 114.93 121.07 1og2 h MET 443 Ca 0.19 -0.10 -0.12 0.00 -2.07 0.00 0.00 59.70 57.60 1og2 h MET 443 Cb -0.04 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.49 1og2 h MET 443 CO -0.04 0.72 -0.28 0.93 1.07 0.00 0.00 176.91 179.31 1og2 h GLU 444 N 0.97 0.72 0.07 1.72 5.08 -0.58 -1.02 114.58 121.55 1og2 h GLU 444 Ca 0.25 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1og2 h GLU 444 Cb 0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1og2 h GLU 444 CO -0.04 0.99 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.85 1og2 h LEU 445 N 0.48 -0.08 -0.02 1.33 3.38 -1.04 0.21 115.31 119.56 1og2 h LEU 445 Ca 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1og2 h LEU 445 Cb 0.84 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1og2 h LEU 445 CO 0.07 0.22 0.01 0.15 0.09 0.00 0.00 178.44 178.98 1og2 h PHE 446 N -0.39 0.02 -0.00 1.13 3.04 -1.32 -1.36 116.94 118.05 1og2 h PHE 446 Ca -0.01 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.73 1og2 h PHE 446 Cb 0.34 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.84 1og2 h PHE 446 CO 0.02 0.01 -0.90 -0.07 -2.02 0.00 0.00 178.31 175.35 1og2 h LEU 447 N 0.02 0.42 -0.13 0.59 3.38 -1.19 -2.12 115.31 116.28 1og2 h LEU 447 Ca 0.01 -0.34 -0.24 0.00 0.09 0.00 0.00 57.88 57.40 1og2 h LEU 447 Cb -0.00 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.63 1og2 h LEU 447 CO -0.00 1.13 -0.97 -0.26 0.09 0.00 0.00 178.44 178.43 1og2 h PHE 448 N 0.19 0.71 -0.08 1.13 0.04 -0.98 -2.38 116.94 115.57 1og2 h PHE 448 Ca -0.06 -0.39 -0.04 0.00 2.80 0.00 0.00 57.97 60.28 1og2 h PHE 448 Cb 1.53 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.60 1og2 h PHE 448 CO 0.05 1.21 -0.11 -0.07 -0.60 0.00 0.00 178.31 178.79 1og2 h LEU 449 N 0.27 0.24 -0.68 1.54 3.38 -1.28 -1.34 115.31 117.44 1og2 h LEU 449 Ca -0.09 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 1og2 h LEU 449 Cb 1.61 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1og2 h LEU 449 CO 0.17 0.72 0.19 0.71 0.09 0.00 0.00 178.44 180.32 1og2 h THR 450 N -0.22 1.26 -0.66 0.22 1.35 -1.50 -0.66 112.91 112.69 1og2 h THR 450 Ca 0.01 -0.90 0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1og2 h THR 450 Cb 0.66 0.55 -0.04 0.00 -1.73 0.00 0.00 68.15 67.60 1og2 h THR 450 CO 0.03 0.35 0.42 0.28 -0.25 0.00 0.00 175.52 176.34 1og2 h SER 451 N 1.00 0.70 -0.38 5.36 0.02 -1.44 0.13 113.55 118.94 1og2 h SER 451 Ca 0.22 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1og2 h SER 451 Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1og2 h SER 451 CO -0.00 0.50 0.03 0.40 -1.14 0.00 0.00 176.83 176.62 1og2 h ILE 452 N 0.84 1.25 0.00 3.27 2.04 -0.68 -2.99 117.51 121.24 1og2 h ILE 452 Ca 0.25 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 1og2 h ILE 452 Cb -0.03 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1og2 h ILE 452 CO -0.08 0.31 -0.31 -0.07 0.00 0.00 0.00 178.15 178.00 1og2 h LEU 453 N 0.48 0.00 -1.50 1.44 3.38 -0.87 0.36 115.31 118.61 1og2 h LEU 453 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1og2 h LEU 453 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1og2 h LEU 453 CO 0.01 0.31 -0.25 -0.61 0.09 0.00 0.00 178.44 178.00 1og2 h GLN 454 N 0.00 0.01 0.00 1.13 4.15 -0.71 -3.33 115.11 116.35 1og2 h GLN 454 Ca -0.00 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1og2 h GLN 454 Cb 1.17 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 1og2 h GLN 454 CO 0.04 0.25 -1.73 0.09 -1.93 0.00 0.00 178.83 175.56 1og2 n ASN 455 N -4.24 1.81 -4.09 -0.69 3.02 -0.98 -4.86 115.26 105.22 1og2 n ASN 455 Ca -0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.43 1og2 n ASN 455 Cb 0.30 1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 40.72 1og2 n ASN 455 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1og2 s PHE 456 N -2.74 0.64 -0.08 3.10 0.08 0.08 -2.10 117.98 116.96 1og2 s PHE 456 Ca -0.06 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.17 1og2 s PHE 456 Cb 0.07 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 42.08 1og2 s PHE 456 CO 0.56 -0.20 0.06 -0.80 -0.10 0.00 0.00 175.22 174.74 1og2 s ASN 457 N -2.41 5.67 -0.27 1.36 0.01 0.12 -4.36 114.94 115.06 1og2 s ASN 457 Ca 0.01 0.24 -0.16 0.00 -0.71 0.00 0.00 52.86 52.24 1og2 s ASN 457 Cb -0.00 -1.68 -0.03 0.00 0.41 0.00 0.00 41.25 39.94 1og2 s ASN 457 CO -0.04 0.37 0.44 -0.76 -1.51 0.00 0.00 177.10 175.59 1og2 s LEU 458 N -1.09 4.06 -0.19 0.60 1.43 -1.26 -1.59 118.68 120.64 1og2 s LEU 458 Ca 0.16 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.56 1og2 s LEU 458 Cb -0.12 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1og2 s LEU 458 CO 0.05 -0.24 0.03 -0.75 0.23 0.00 0.00 176.35 175.67 1og2 s LYS 459 N 2.18 3.81 0.47 1.70 2.20 -0.49 -4.95 119.74 124.65 1og2 s LYS 459 Ca 0.18 -0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 55.21 1og2 s LYS 459 Cb -0.16 -3.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.95 1og2 s LYS 459 CO 0.10 0.17 0.90 0.45 -0.36 0.00 0.00 175.35 176.61 1og2 s SER 460 N 0.62 6.62 -0.04 1.43 0.15 -1.26 -1.01 113.70 120.20 1og2 s SER 460 Ca 0.01 1.42 0.13 0.00 0.70 0.00 0.00 55.95 58.22 1og2 s SER 460 Cb -0.14 -2.45 -0.20 0.00 -1.71 0.00 0.00 66.02 61.52 1og2 s SER 460 CO 0.02 -0.50 0.26 0.00 1.20 0.00 0.00 173.24 174.22 1og2 n LEU 461 N -1.38 0.00 -1.59 3.45 -0.00 -1.26 -4.60 117.00 111.62 1og2 n LEU 461 Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.16 1og2 n LEU 461 Cb 0.54 0.05 0.36 0.00 -0.00 0.00 0.00 43.42 44.37 1og2 n LEU 461 CO 0.46 0.05 0.82 0.55 -0.00 0.00 0.00 177.39 179.27 1og2 n VAL 462 N -2.05 1.85 -1.79 1.47 3.14 -1.26 -5.05 118.33 114.63 1og2 n VAL 462 Ca -0.05 -1.21 0.00 0.00 -2.96 0.00 0.00 64.34 60.12 1og2 n VAL 462 Cb 0.44 0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1og2 n VAL 462 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1og2 n ASP 463 N 1.13 -7.08 -0.31 6.55 2.03 -1.26 -4.53 116.55 113.07 1og2 n ASP 463 Ca 0.26 1.15 -0.02 0.00 0.52 0.00 0.00 54.79 56.69 1og2 n ASP 463 Cb 0.90 -3.88 0.01 0.00 -0.72 0.00 0.00 41.12 37.42 1og2 n ASP 463 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1og2 n PRO 464 N 1.29 -0.22 -0.25 -0.67 -0.02 -1.26 -2.50 135.00 131.37 1og2 n PRO 464 Ca 0.00 1.21 0.02 0.00 -2.02 0.00 0.00 63.50 62.72 1og2 n PRO 464 Cb 0.00 -1.79 0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1og2 n PRO 464 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1og2 h LYS 465 N 0.00 0.03 0.43 -0.52 1.79 -1.87 -2.97 116.57 113.46 1og2 h LYS 465 Ca 0.24 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.69 1og2 h LYS 465 Cb 0.44 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1og2 h LYS 465 CO -0.78 0.02 -0.21 -0.91 -1.08 0.00 0.00 179.45 176.50 1og2 h ASN 466 N 0.03 -0.49 -2.37 0.86 2.35 -1.73 -3.47 115.58 110.76 1og2 h ASN 466 Ca 0.37 0.02 -0.61 0.00 -0.55 0.00 0.00 56.30 55.53 1og2 h ASN 466 Cb 0.60 0.13 0.11 0.00 0.05 0.00 0.00 38.32 39.20 1og2 h ASN 466 CO -0.73 -0.29 0.14 0.00 -1.65 0.00 0.00 177.43 174.90 1og2 n LEU 467 N -3.87 1.70 -4.84 1.61 -0.00 -1.12 -4.95 117.00 105.52 1og2 n LEU 467 Ca -0.07 1.17 -0.37 0.00 -0.00 0.00 0.00 56.01 56.74 1og2 n LEU 467 Cb 0.23 -1.27 -0.06 0.00 -0.00 0.00 0.00 43.42 42.31 1og2 n LEU 467 CO 0.17 -1.41 -0.04 -0.62 -0.00 0.00 0.00 177.39 175.49 1og2 s ASP 468 N -0.49 6.57 -0.07 1.45 -1.08 -1.26 -4.99 116.67 116.80 1og2 s ASP 468 Ca 0.61 0.68 0.11 0.00 -0.52 0.00 0.00 52.55 53.42 1og2 s ASP 468 Cb -0.72 -2.16 0.22 0.00 -1.46 0.00 0.00 42.92 38.79 1og2 s ASP 468 CO 0.59 0.34 1.14 0.35 0.52 0.00 0.00 175.17 178.11 1og2 n THR 469 N 2.09 1.49 -2.45 1.71 -2.24 -1.26 -4.82 114.28 108.81 1og2 n THR 469 Ca -0.17 -1.58 -0.42 0.00 -2.27 0.00 0.00 64.05 59.61 1og2 n THR 469 Cb 0.54 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1og2 n THR 469 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1og2 s THR 470 N -1.92 4.19 0.27 4.28 2.01 -1.26 -4.90 115.64 118.30 1og2 s THR 470 Ca 0.20 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.45 1og2 s THR 470 Cb 0.16 -3.99 -0.14 0.00 0.01 0.00 0.00 72.50 68.54 1og2 s THR 470 CO 0.04 0.04 1.05 -2.65 -0.69 0.00 0.00 174.62 172.42 1og2 n PRO 471 N 4.73 1.34 -2.96 4.92 -0.02 -1.26 -4.57 135.00 137.17 1og2 n PRO 471 Ca 0.10 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1og2 n PRO 471 Cb 0.46 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1og2 n PRO 471 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1og2 s VAL 472 N -0.86 4.67 -0.12 -1.45 1.01 -0.07 -4.93 120.40 118.65 1og2 s VAL 472 Ca 0.62 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 1og2 s VAL 472 Cb -0.73 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.34 1og2 s VAL 472 CO 0.58 -0.65 -0.10 -0.69 0.00 0.00 0.00 175.10 174.24 1og2 s VAL 473 N 3.25 3.37 -0.29 2.92 1.01 -1.26 -1.50 120.40 127.89 1og2 s VAL 473 Ca 0.30 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1og2 s VAL 473 Cb -0.12 -2.41 0.11 0.00 0.00 0.00 0.00 36.38 33.95 1og2 s VAL 473 CO 0.21 0.53 0.15 0.20 0.00 0.00 0.00 175.10 176.20 1og2 s ASN 474 N 0.06 3.28 0.95 3.32 -0.87 -0.60 -4.42 114.94 116.66 1og2 s ASN 474 Ca -0.03 -1.26 0.00 0.00 -1.57 0.00 0.00 52.86 50.00 1og2 s ASN 474 Cb -0.14 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.85 1og2 s ASN 474 CO 0.04 -0.43 0.00 0.61 -2.57 0.00 0.00 177.10 174.75 1og2 n GLY 475 N 5.21 1.85 1.71 0.66 0.00 -0.89 -3.36 105.19 110.37 1og2 n GLY 475 Ca -0.05 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 1og2 n GLY 475 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1og2 n PHE 476 N 4.48 2.12 -3.59 1.61 0.99 -1.26 -3.84 117.46 117.96 1og2 n PHE 476 Ca 0.00 -2.09 -0.20 0.00 -0.00 0.00 0.00 57.45 55.16 1og2 n PHE 476 Cb 0.00 -0.69 -0.15 0.00 -1.00 0.00 0.00 39.48 37.64 1og2 n PHE 476 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1og2 s ALA 477 N -3.47 -0.06 0.16 4.37 0.00 -1.21 -4.42 121.76 117.12 1og2 s ALA 477 Ca 0.51 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 1og2 s ALA 477 Cb 0.44 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1og2 s ALA 477 CO 0.01 -0.95 0.33 -1.12 0.00 0.00 0.00 175.76 174.04 1og2 s SER 478 N 2.27 6.38 -0.03 0.00 0.01 -1.23 -1.56 113.70 119.53 1og2 s SER 478 Ca 0.04 0.34 -0.20 0.00 1.31 0.00 0.00 55.95 57.44 1og2 s SER 478 Cb -0.14 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.14 1og2 s SER 478 CO -0.09 0.02 0.43 0.68 0.41 0.00 0.00 173.24 174.69 1og2 s VAL 479 N -1.76 0.04 0.81 3.43 -7.23 -0.56 -4.88 120.40 110.25 1og2 s VAL 479 Ca 0.37 -0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 60.12 1og2 s VAL 479 Cb -0.11 -0.74 0.08 0.00 0.56 0.00 0.00 36.38 36.17 1og2 s VAL 479 CO 0.28 -0.17 1.09 -2.16 -0.31 0.00 0.00 175.10 173.83 1og2 s PRO 480 N -1.26 1.97 0.77 4.82 0.04 -1.26 -0.89 135.00 139.18 1og2 s PRO 480 Ca -0.13 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 1og2 s PRO 480 Cb -0.04 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1og2 s PRO 480 CO 0.06 -1.81 1.09 -1.25 0.04 0.00 0.00 177.00 175.13 1og2 s PRO 481 N -4.92 2.36 0.26 0.56 0.04 -1.26 -4.75 135.00 127.29 1og2 s PRO 481 Ca 0.62 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1og2 s PRO 481 Cb -0.17 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1og2 s PRO 481 CO 0.56 -1.42 1.16 0.12 0.04 0.00 0.00 177.00 177.46 1og2 s PHE 482 N -3.21 3.46 0.23 0.56 2.19 -1.26 -5.02 117.98 114.93 1og2 s PHE 482 Ca 0.60 1.58 -0.09 0.00 0.33 0.00 0.00 56.93 59.35 1og2 s PHE 482 Cb -0.13 -3.38 -0.01 0.00 -1.31 0.00 0.00 43.02 38.18 1og2 s PHE 482 CO 0.54 -0.92 0.38 1.52 1.83 0.00 0.00 175.22 178.56 1og2 s TYR 483 N -0.86 0.58 0.21 10.12 -0.85 -1.26 -5.09 117.35 120.19 1og2 s TYR 483 Ca 0.47 -0.91 0.07 0.00 -0.52 0.00 0.00 57.07 56.18 1og2 s TYR 483 Cb -0.33 -0.02 -0.05 0.00 0.38 0.00 0.00 41.96 41.93 1og2 s TYR 483 CO 0.42 -0.89 -0.11 -0.65 -1.52 0.00 0.00 175.55 172.80 1og2 s GLN 484 N -4.06 1.31 0.15 -3.49 -0.21 -1.26 -4.60 119.66 107.51 1og2 s GLN 484 Ca 0.27 -1.60 -0.24 0.00 0.02 0.00 0.00 55.36 53.81 1og2 s GLN 484 Cb 0.02 -0.99 0.07 0.00 1.00 0.00 0.00 33.01 33.10 1og2 s GLN 484 CO 0.10 0.12 0.66 -0.48 -2.12 0.00 0.00 175.29 173.56 1og2 s LEU 485 N -3.31 -0.50 -0.06 2.90 2.34 -0.81 -4.41 118.68 114.84 1og2 s LEU 485 Ca 0.23 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.34 1og2 s LEU 485 Cb 0.01 2.53 -0.03 0.00 -0.56 0.00 0.00 46.19 48.14 1og2 s LEU 485 CO 0.07 -0.97 -0.04 0.00 -1.06 0.00 0.00 176.35 174.34 1og2 s PHE 487 N -0.89 3.45 -0.24 0.00 0.40 -1.26 -1.40 117.98 118.05 1og2 s PHE 487 Ca 0.14 -1.58 -0.23 0.00 -0.60 0.00 0.00 56.93 54.66 1og2 s PHE 487 Cb -0.11 -3.80 -0.01 0.00 0.51 0.00 0.00 43.02 39.61 1og2 s PHE 487 CO 0.03 -1.01 0.74 0.42 0.70 0.00 0.00 175.22 176.10 1og2 s ILE 488 N 1.03 4.91 0.57 0.64 1.09 -0.62 -3.91 121.20 124.91 1og2 s ILE 488 Ca 0.09 1.37 -0.20 0.00 -1.10 0.00 0.00 60.65 60.82 1og2 s ILE 488 Cb -0.22 -4.03 -0.04 0.00 -1.06 0.00 0.00 42.46 37.10 1og2 s ILE 488 CO -0.02 -0.01 1.20 -2.84 -0.10 0.00 0.00 174.94 173.17 1og2 s PRO 489 N 2.57 3.14 0.32 2.79 0.02 -1.26 -0.71 135.00 141.87 1og2 s PRO 489 Ca 0.31 1.82 -0.27 0.00 0.02 0.00 0.00 61.00 62.88 1og2 s PRO 489 Cb -0.15 -2.02 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 1og2 s PRO 489 CO 0.08 -1.07 0.96 0.14 -0.33 0.00 0.00 177.00 176.78 1og2 s VAL 490 N -1.59 4.12 0.00 3.83 -7.23 -0.89 -4.79 120.40 113.85 1og2 s VAL 490 Ca 0.75 1.81 0.00 0.00 -1.81 0.00 0.00 61.98 62.73 1og2 s VAL 490 Cb -0.30 -4.03 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1og2 s VAL 490 CO 0.33 0.19 0.00 1.57 -0.31 0.00 0.00 175.10 176.88