#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3uag s ASP 2 N 0.00 2.46 0.00 0.00 2.15 -1.26 -5.02 116.67 115.00 3uag s ASP 2 Ca 0.00 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.56 3uag s ASP 2 Cb 0.00 -0.84 0.00 0.00 -0.30 0.00 0.00 42.92 41.78 3uag s ASP 2 CO 0.00 0.15 0.39 -1.22 -0.17 0.00 0.00 175.17 174.32 3uag n TYR 3 N 3.29 0.00 -1.72 -5.34 4.01 -1.26 -5.02 117.16 111.12 3uag n TYR 3 Ca -0.19 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.12 3uag n TYR 3 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.54 3uag n TYR 3 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3uag n GLN 4 N -0.02 2.44 -0.75 -0.72 1.13 -1.26 -1.80 117.38 116.39 3uag n GLN 4 Ca 0.00 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 55.92 3uag n GLN 4 Cb 0.05 -2.58 0.00 0.00 0.11 0.00 0.00 30.24 27.82 3uag n GLN 4 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3uag n GLY 5 N 1.83 0.61 3.81 1.08 0.00 -1.26 -4.99 105.19 106.26 3uag n GLY 5 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3uag n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3uag s LYS 6 N -0.42 4.31 -0.54 1.61 -0.14 -0.75 -5.03 119.74 118.79 3uag s LYS 6 Ca 0.00 1.20 -0.23 0.00 -1.36 0.00 0.00 55.97 55.58 3uag s LYS 6 Cb 0.00 -2.36 0.04 0.00 -1.68 0.00 0.00 37.83 33.83 3uag s LYS 6 CO 0.00 0.04 0.87 1.21 -0.76 0.00 0.00 175.35 176.70 3uag s ASN 7 N -2.00 6.32 -0.17 2.83 3.04 -1.26 -4.92 114.94 118.78 3uag s ASN 7 Ca 0.59 -0.46 -0.03 0.00 0.04 0.00 0.00 52.86 52.99 3uag s ASN 7 Cb -0.12 -2.40 -0.02 0.00 -1.54 0.00 0.00 41.25 37.16 3uag s ASN 7 CO 0.17 -1.14 -0.05 -0.69 -3.04 0.00 0.00 177.10 172.35 3uag s VAL 8 N 3.63 3.65 -0.16 -5.21 1.01 -1.26 -0.54 120.40 121.51 3uag s VAL 8 Ca 0.27 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3uag s VAL 8 Cb -0.14 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.64 3uag s VAL 8 CO 0.18 0.48 -0.18 -0.69 0.00 0.00 0.00 175.10 174.88 3uag s VAL 9 N 0.66 2.31 -0.18 2.92 1.01 -0.03 -1.56 120.40 125.53 3uag s VAL 9 Ca -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 3uag s VAL 9 Cb -0.15 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3uag s VAL 9 CO 0.02 0.53 0.11 -0.63 0.00 0.00 0.00 175.10 175.14 3uag s ILE 10 N 0.99 5.26 -0.23 2.22 1.01 0.60 0.09 121.20 131.14 3uag s ILE 10 Ca -0.02 0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 3uag s ILE 10 Cb -0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3uag s ILE 10 CO -0.05 0.48 0.06 -0.63 0.00 0.00 0.00 174.94 174.81 3uag s ILE 11 N 0.11 4.41 0.00 2.92 1.01 0.38 -0.90 121.20 129.13 3uag s ILE 11 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3uag s ILE 11 Cb -0.11 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.32 3uag s ILE 11 CO -0.01 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3uag n GLY 12 N 4.54 3.14 2.38 6.18 0.00 0.72 -0.99 105.19 121.16 3uag n GLY 12 Ca -0.16 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3uag n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3uag n LEU 13 N 0.00 6.20 0.00 0.99 4.77 -1.26 -3.73 117.00 123.97 3uag n LEU 13 Ca 0.00 -4.73 0.00 0.00 -0.03 0.00 0.00 56.01 51.25 3uag n LEU 13 Cb 0.00 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 3uag n LEU 13 CO 0.00 1.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.55 3uag n GLY 14 N -0.69 2.28 0.13 -0.72 0.00 -1.26 -0.78 105.19 104.15 3uag n GLY 14 Ca 0.50 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 3uag n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3uag h LEU 15 N 0.00 0.33 0.22 0.99 3.38 -1.99 -1.98 115.31 116.26 3uag h LEU 15 Ca 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3uag h LEU 15 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3uag h LEU 15 CO 0.00 0.50 -0.11 0.74 0.09 0.00 0.00 178.44 179.66 3uag h THR 16 N 0.15 0.78 -0.85 0.22 2.02 -1.95 -2.01 112.91 111.27 3uag h THR 16 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 3uag h THR 16 Cb 0.31 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 3uag h THR 16 CO 0.00 0.00 0.53 1.23 0.37 0.00 0.00 175.52 177.65 3uag h GLY 17 N -0.30 1.27 1.48 2.16 0.00 -1.63 -0.65 103.07 105.41 3uag h GLY 17 Ca -0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3uag h GLY 17 CO 0.05 0.27 -0.25 1.41 0.00 0.00 0.00 176.54 178.01 3uag h LEU 18 N 0.96 0.60 -1.00 3.11 3.38 -1.25 -0.31 115.31 120.81 3uag h LEU 18 Ca 0.37 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3uag h LEU 18 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3uag h LEU 18 CO -0.17 0.84 -0.38 0.77 0.09 0.00 0.00 178.44 179.59 3uag h SER 19 N 0.52 0.23 -0.33 -0.43 4.64 -0.68 -1.92 113.55 115.58 3uag h SER 19 Ca 0.07 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 3uag h SER 19 Cb 0.71 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3uag h SER 19 CO 0.05 0.60 -0.41 0.00 -0.87 0.00 0.00 176.83 176.20 3uag h VAL 21 N 0.66 0.41 -1.00 0.00 2.07 -0.82 -1.13 116.25 116.44 3uag h VAL 21 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 3uag h VAL 21 Cb 1.01 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 3uag h VAL 21 CO 0.10 0.00 0.64 0.44 0.02 0.00 0.00 177.57 178.77 3uag h ASP 22 N -0.49 0.99 -0.15 0.57 3.32 -1.31 -0.80 116.42 118.55 3uag h ASP 22 Ca 0.03 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3uag h ASP 22 Cb 0.51 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3uag h ASP 22 CO -0.15 0.59 0.00 0.15 -1.72 0.00 0.00 179.24 178.12 3uag h PHE 23 N 1.10 -0.00 -0.21 4.55 3.57 -0.58 -1.47 116.94 123.90 3uag h PHE 23 Ca 0.46 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.82 3uag h PHE 23 Cb 0.30 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3uag h PHE 23 CO -0.00 -0.02 -0.44 0.74 -2.23 0.00 0.00 178.31 176.36 3uag h PHE 24 N 0.05 0.85 -0.95 0.41 0.04 -0.78 -3.15 116.94 113.41 3uag h PHE 24 Ca 0.07 -0.31 0.04 0.00 2.80 0.00 0.00 57.97 60.57 3uag h PHE 24 Cb 0.08 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.02 3uag h PHE 24 CO -0.15 1.09 0.62 -0.07 -0.60 0.00 0.00 178.31 179.20 3uag h LEU 25 N 0.37 1.01 -0.52 1.54 3.38 -0.77 0.17 115.31 120.49 3uag h LEU 25 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3uag h LEU 25 Cb 1.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3uag h LEU 25 CO 0.10 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.31 3uag n ALA 26 N -2.36 1.57 -0.40 1.53 0.00 -0.56 -1.46 120.51 118.82 3uag n ALA 26 Ca 0.13 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.71 3uag n ALA 26 Cb 0.12 -1.31 0.26 0.00 0.00 0.00 0.00 19.45 18.51 3uag n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3uag n ARG 27 N -1.98 3.02 -1.09 0.00 1.74 0.48 -4.97 116.66 113.86 3uag n ARG 27 Ca 0.02 -2.48 -0.03 0.00 -0.77 0.00 0.00 57.85 54.59 3uag n ARG 27 Cb 0.18 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 3uag n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3uag n GLY 28 N 0.88 0.63 3.20 -0.13 0.00 -0.53 -4.82 105.19 104.41 3uag n GLY 28 Ca 0.19 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3uag n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3uag s VAL 29 N -2.10 2.33 -0.41 1.61 1.01 -0.60 -4.82 120.40 117.41 3uag s VAL 29 Ca 0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 3uag s VAL 29 Cb 0.00 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.43 3uag s VAL 29 CO 0.00 0.53 0.60 -0.89 0.00 0.00 0.00 175.10 175.34 3uag s THR 30 N 0.97 4.89 0.57 3.92 2.01 -1.26 -2.37 115.64 124.37 3uag s THR 30 Ca -0.03 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 3uag s THR 30 Cb -0.15 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.24 3uag s THR 30 CO -0.04 -0.49 0.84 -2.16 -0.69 0.00 0.00 174.62 172.08 3uag s PRO 31 N 2.68 2.74 0.09 4.92 0.04 -1.26 -4.72 135.00 139.49 3uag s PRO 31 Ca 0.21 -0.33 0.06 0.00 0.04 0.00 0.00 61.00 60.98 3uag s PRO 31 Cb -0.15 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3uag s PRO 31 CO 0.17 -0.70 -0.06 1.03 0.04 0.00 0.00 177.00 177.48 3uag s ARG 32 N -4.89 2.32 -0.00 4.56 0.52 -0.60 -4.44 118.95 116.42 3uag s ARG 32 Ca 0.54 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 3uag s ARG 32 Cb -0.10 -2.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 3uag s ARG 32 CO 0.42 0.53 -0.13 0.54 0.02 0.00 0.00 175.30 176.68 3uag s VAL 33 N -1.23 1.01 0.16 3.52 0.11 -0.78 -0.29 120.40 122.89 3uag s VAL 33 Ca 0.23 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 3uag s VAL 33 Cb -0.11 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 3uag s VAL 33 CO 0.15 0.25 -0.00 0.00 -3.33 0.00 0.00 175.10 172.17 3uag s MET 34 N -0.39 1.04 -0.24 1.54 0.23 -0.08 -1.04 119.30 120.37 3uag s MET 34 Ca 0.05 -1.49 -0.21 0.00 -1.03 0.00 0.00 55.69 53.00 3uag s MET 34 Cb -0.05 -0.20 0.06 0.00 -1.53 0.00 0.00 34.83 33.11 3uag s MET 34 CO -0.00 -0.13 0.63 0.34 -2.03 0.00 0.00 175.02 173.83 3uag s ASP 35 N -3.14 -0.67 0.50 -1.18 -1.08 -0.68 -0.20 116.67 110.23 3uag s ASP 35 Ca 0.22 1.27 0.28 0.00 -0.52 0.00 0.00 52.55 53.80 3uag s ASP 35 Cb 0.06 1.28 1.29 0.00 -1.46 0.00 0.00 42.92 44.09 3uag s ASP 35 CO 0.02 -0.22 1.98 0.71 0.52 0.00 0.00 175.17 178.19 3uag h THR 36 N 4.23 0.45 -3.77 1.71 1.35 -1.88 -1.63 112.91 113.37 3uag h THR 36 Ca -0.29 -0.73 -0.52 0.00 -0.55 0.00 0.00 66.41 64.33 3uag h THR 36 Cb 1.17 1.51 0.04 0.00 -1.73 0.00 0.00 68.15 69.14 3uag h THR 36 CO 0.12 0.14 0.58 -0.13 -0.25 0.00 0.00 175.52 175.97 3uag s ARG 37 N -3.90 4.46 0.12 4.72 0.52 -1.26 -3.30 118.95 120.30 3uag s ARG 37 Ca -0.01 2.04 -0.13 0.00 -0.52 0.00 0.00 55.73 57.10 3uag s ARG 37 Cb 0.11 -3.13 -0.06 0.00 0.52 0.00 0.00 34.95 32.39 3uag s ARG 37 CO 0.59 -0.05 1.46 0.52 0.02 0.00 0.00 175.30 177.84 3uag h MET 38 N 3.88 0.79 -2.44 3.54 2.86 -1.86 -1.24 114.93 120.45 3uag h MET 38 Ca -0.47 -0.38 -0.60 0.00 -2.06 0.00 0.00 59.70 56.18 3uag h MET 38 Cb 1.22 -0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.47 3uag h MET 38 CO 0.68 1.01 -0.74 2.41 1.06 0.00 0.00 176.91 181.33 3uag n THR 39 N -4.23 1.06 -2.00 2.22 -1.04 -1.26 -4.53 114.28 104.51 3uag n THR 39 Ca -0.03 -4.63 -0.34 0.00 -2.04 0.00 0.00 64.05 57.01 3uag n THR 39 Cb 0.46 -2.03 0.03 0.00 -1.82 0.00 0.00 70.33 66.96 3uag n THR 39 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3uag s PRO 40 N -1.58 3.06 0.56 -2.82 0.04 -1.26 -4.92 135.00 128.08 3uag s PRO 40 Ca 0.34 1.53 0.26 0.00 0.04 0.00 0.00 61.00 63.17 3uag s PRO 40 Cb 0.08 -1.97 1.62 0.00 0.04 0.00 0.00 34.50 34.27 3uag s PRO 40 CO -0.10 -1.07 2.19 -1.00 0.04 0.00 0.00 177.00 177.05 3uag h PRO 41 N 0.63 0.00 -0.02 0.56 0.13 -1.99 -2.47 132.00 128.83 3uag h PRO 41 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3uag h PRO 41 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3uag h PRO 41 CO 0.55 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 3uag n GLY 42 N -1.19 0.10 0.31 1.56 0.00 0.04 -4.25 105.19 101.75 3uag n GLY 42 Ca -0.03 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.59 3uag n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3uag h LEU 43 N 2.56 0.57 -0.50 0.99 6.46 -1.63 -0.56 115.31 123.20 3uag h LEU 43 Ca 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3uag h LEU 43 Cb 0.54 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 3uag h LEU 43 CO 0.00 0.25 0.00 0.44 -0.62 0.00 0.00 178.44 178.51 3uag h ASP 44 N 0.66 0.00 -0.02 1.25 5.19 -1.82 -2.91 116.42 118.77 3uag h ASP 44 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 3uag h ASP 44 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3uag h ASP 44 CO -0.34 0.00 -0.08 0.29 -3.12 0.00 0.00 179.24 175.99 3uag n LYS 45 N -2.57 1.80 -2.14 3.56 5.02 -0.26 -4.95 118.16 118.62 3uag n LYS 45 Ca 0.03 -1.58 -0.42 0.00 -2.02 0.00 0.00 58.31 54.32 3uag n LYS 45 Cb 0.36 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 3uag n LYS 45 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3uag s LEU 46 N -1.83 4.36 0.32 -0.35 2.96 -0.97 -4.97 118.68 118.18 3uag s LEU 46 Ca 0.23 2.31 -0.28 0.00 -0.22 0.00 0.00 54.13 56.17 3uag s LEU 46 Cb 0.17 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 43.15 3uag s LEU 46 CO 0.30 -0.70 1.20 -2.65 -1.32 0.00 0.00 176.35 173.17 3uag n PRO 47 N 4.46 1.84 0.23 0.98 -0.02 -1.26 -4.87 135.00 136.35 3uag n PRO 47 Ca 0.12 0.65 0.15 0.00 -2.02 0.00 0.00 63.50 62.40 3uag n PRO 47 Cb 0.42 -2.16 0.59 0.00 -0.02 0.00 0.00 33.50 32.34 3uag n PRO 47 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3uag h GLU 48 N 2.43 0.00 0.00 -0.52 3.07 -1.99 -0.94 114.58 116.63 3uag h GLU 48 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3uag h GLU 48 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 3uag h GLU 48 CO 0.62 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.23 3uag n ALA 49 N -1.99 2.23 -2.63 3.43 0.00 -1.26 -4.77 120.51 115.52 3uag n ALA 49 Ca 0.01 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 3uag n ALA 49 Cb 0.30 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 3uag n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3uag s VAL 50 N -3.00 5.12 0.31 0.00 1.01 -0.36 -5.05 120.40 118.43 3uag s VAL 50 Ca 0.13 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 3uag s VAL 50 Cb 0.18 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 3uag s VAL 50 CO 0.49 0.14 1.52 -1.61 0.00 0.00 0.00 175.10 175.64 3uag s GLU 51 N 2.02 4.16 0.01 2.72 2.02 -1.26 -4.94 118.70 123.44 3uag s GLU 51 Ca 0.20 2.51 -0.01 0.00 0.02 0.00 0.00 54.97 57.69 3uag s GLU 51 Cb -0.15 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 3uag s GLU 51 CO 0.09 -0.54 -0.01 -0.98 0.02 0.00 0.00 175.26 173.84 3uag s ARG 52 N -0.97 0.27 -0.08 1.61 3.03 -1.26 -1.87 118.95 119.69 3uag s ARG 52 Ca 0.59 -0.49 0.01 0.00 2.03 0.00 0.00 55.73 57.87 3uag s ARG 52 Cb -0.46 0.10 0.02 0.00 -1.03 0.00 0.00 34.95 33.58 3uag s ARG 52 CO 0.51 -0.05 -0.09 -1.58 -1.13 0.00 0.00 175.30 172.96 3uag s HIS 53 N -1.21 1.33 0.26 5.89 2.46 -0.21 -4.97 115.29 118.84 3uag s HIS 53 Ca -0.13 -0.53 0.09 0.00 0.47 0.00 0.00 55.06 54.95 3uag s HIS 53 Cb -0.08 -1.04 -0.05 0.00 -0.13 0.00 0.00 32.58 31.27 3uag s HIS 53 CO -0.01 -0.33 -0.13 0.95 -2.47 0.00 0.00 174.74 172.75 3uag s THR 54 N 1.03 1.96 0.00 0.89 -4.23 -1.26 -1.68 115.64 112.35 3uag s THR 54 Ca -0.08 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.19 3uag s THR 54 Cb -0.15 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3uag s THR 54 CO -0.00 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 3uag n GLY 55 N -0.53 1.43 3.68 3.99 0.00 -0.47 -4.87 105.19 108.42 3uag n GLY 55 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 3uag n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3uag s SER 56 N -2.82 -0.10 0.08 1.61 1.04 -1.17 -4.77 113.70 107.57 3uag s SER 56 Ca 0.00 -0.25 -0.24 0.00 0.48 0.00 0.00 55.95 55.94 3uag s SER 56 Cb 0.00 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.35 3uag s SER 56 CO 0.00 -0.54 0.73 -0.76 0.98 0.00 0.00 173.24 173.65 3uag s LEU 57 N -2.98 4.50 -0.42 2.42 1.43 -1.26 -4.15 118.68 118.21 3uag s LEU 57 Ca 0.14 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 54.52 3uag s LEU 57 Cb 0.02 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 43.09 3uag s LEU 57 CO -0.01 0.11 0.43 0.21 0.23 0.00 0.00 176.35 177.32 3uag s ASN 58 N -0.49 6.19 0.42 2.29 3.84 -1.26 -4.94 114.94 120.99 3uag s ASN 58 Ca 0.36 -0.69 0.22 0.00 0.21 0.00 0.00 52.86 52.96 3uag s ASN 58 Cb -0.21 -2.22 0.88 0.00 -0.55 0.00 0.00 41.25 39.15 3uag s ASN 58 CO 0.23 -0.58 1.82 0.44 -2.79 0.00 0.00 177.10 176.22 3uag h ASP 59 N 8.73 0.00 -0.77 -4.21 3.32 -1.97 -1.40 116.42 120.12 3uag h ASP 59 Ca -0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 3uag h ASP 59 Cb 1.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 3uag h ASP 59 CO 0.79 0.27 0.40 -0.33 -1.72 0.00 0.00 179.24 178.65 3uag h GLU 60 N 0.00 1.08 -0.11 3.56 5.08 -1.98 0.23 114.58 122.44 3uag h GLU 60 Ca -0.00 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 3uag h GLU 60 Cb 0.76 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3uag h GLU 60 CO 0.03 0.82 -0.34 -1.49 -1.00 0.00 0.00 179.01 177.03 3uag h TRP 61 N 1.07 0.56 -0.30 4.33 4.06 -1.85 -3.15 115.95 120.68 3uag h TRP 61 Ca 0.27 -0.22 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 3uag h TRP 61 Cb 0.07 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 3uag h TRP 61 CO 0.00 0.95 0.10 -0.07 -3.56 0.00 0.00 178.44 175.87 3uag h LEU 62 N 0.01 0.43 0.00 -4.49 3.38 -1.20 -2.75 115.31 110.69 3uag h LEU 62 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3uag h LEU 62 Cb 0.96 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3uag h LEU 62 CO 0.07 0.51 0.00 0.23 0.09 0.00 0.00 178.44 179.34 3uag n MET 63 N -4.71 0.16 0.00 1.13 2.81 0.06 -2.00 117.12 114.57 3uag n MET 63 Ca -0.02 0.11 0.10 0.00 -1.81 0.00 0.00 57.70 56.08 3uag n MET 63 Cb 0.15 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.07 3uag n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3uag n ALA 64 N -1.39 4.29 -1.77 3.04 0.00 -1.09 -5.01 120.51 118.58 3uag n ALA 64 Ca 0.08 -0.56 -0.37 0.00 0.00 0.00 0.00 53.44 52.59 3uag n ALA 64 Cb 0.21 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3uag n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3uag s ALA 65 N -3.10 2.93 0.05 0.00 0.00 -0.85 -4.90 121.76 115.90 3uag s ALA 65 Ca 0.05 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3uag s ALA 65 Cb 0.16 -3.39 -0.28 0.00 0.00 0.00 0.00 23.12 19.61 3uag s ALA 65 CO 0.86 -0.71 1.05 -0.44 0.00 0.00 0.00 175.76 176.52 3uag h ASP 66 N 1.91 0.38 -3.40 0.00 3.32 -1.16 -3.46 116.42 114.00 3uag h ASP 66 Ca -0.49 -0.44 -0.24 0.00 0.02 0.00 0.00 57.03 55.87 3uag h ASP 66 Cb 1.25 -0.12 -0.32 0.00 0.22 0.00 0.00 39.33 40.36 3uag h ASP 66 CO 0.60 1.36 -0.59 -0.22 -1.72 0.00 0.00 179.24 178.66 3uag s LEU 67 N -7.04 0.65 -0.16 1.55 2.96 -0.88 -4.16 118.68 111.59 3uag s LEU 67 Ca -0.05 0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 3uag s LEU 67 Cb 0.07 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.12 3uag s LEU 67 CO 0.87 -0.16 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.08 3uag s ILE 68 N 1.25 3.85 -0.36 6.68 1.01 -0.04 -0.85 121.20 132.73 3uag s ILE 68 Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 3uag s ILE 68 Cb -0.12 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.74 3uag s ILE 68 CO -0.06 0.48 0.12 -0.69 0.00 0.00 0.00 174.94 174.79 3uag s VAL 69 N 0.52 3.22 -0.23 2.92 1.01 0.11 -1.09 120.40 126.85 3uag s VAL 69 Ca -0.03 -1.73 -0.15 0.00 0.00 0.00 0.00 61.98 60.07 3uag s VAL 69 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3uag s VAL 69 CO 0.03 -0.43 0.37 0.00 0.00 0.00 0.00 175.10 175.06 3uag s ALA 70 N 1.20 3.57 0.77 5.51 0.00 0.45 -0.47 121.76 132.78 3uag s ALA 70 Ca 0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3uag s ALA 70 Cb -0.21 -2.65 0.06 0.00 0.00 0.00 0.00 23.12 20.32 3uag s ALA 70 CO -0.02 -0.45 1.18 -1.12 0.00 0.00 0.00 175.76 175.34 3uag s SER 71 N 1.30 4.03 0.58 0.00 0.01 -0.16 -4.37 113.70 115.09 3uag s SER 71 Ca 0.16 2.24 0.35 0.00 1.31 0.00 0.00 55.95 60.02 3uag s SER 71 Cb -0.15 -2.58 1.71 0.00 0.21 0.00 0.00 66.02 65.21 3uag s SER 71 CO 0.08 -2.37 2.12 1.55 0.41 0.00 0.00 173.24 175.04 3uag h PRO 72 N -0.67 0.00 0.00 12.44 0.13 -1.90 -2.57 132.00 139.43 3uag h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3uag h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3uag h PRO 72 CO 0.48 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.70 3uag n GLY 73 N -0.47 -1.00 3.53 1.56 0.00 -1.26 -4.65 105.19 102.89 3uag n GLY 73 Ca -0.01 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3uag n GLY 73 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3uag s ILE 74 N -2.37 4.11 0.27 -0.61 1.10 -0.97 -5.09 121.20 117.63 3uag s ILE 74 Ca 0.29 -0.28 -0.29 0.00 -0.51 0.00 0.00 60.65 59.85 3uag s ILE 74 Cb 0.17 -2.82 -0.09 0.00 0.15 0.00 0.00 42.46 39.87 3uag s ILE 74 CO 0.35 0.48 1.16 0.00 -2.11 0.00 0.00 174.94 174.83 3uag s ALA 75 N 0.41 3.43 0.57 1.50 0.00 -1.26 -4.87 121.76 121.54 3uag s ALA 75 Ca -0.02 0.99 0.34 0.00 0.00 0.00 0.00 51.96 53.27 3uag s ALA 75 Cb -0.14 -3.38 1.96 0.00 0.00 0.00 0.00 23.12 21.56 3uag s ALA 75 CO 0.02 -0.31 2.26 -0.07 0.00 0.00 0.00 175.76 177.67 3uag h LEU 76 N 3.98 0.00 0.00 0.00 3.38 -1.95 -1.70 115.31 119.01 3uag h LEU 76 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3uag h LEU 76 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3uag h LEU 76 CO 0.68 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.23 3uag n ALA 77 N -2.23 2.49 -1.71 1.53 0.00 -1.26 -3.26 120.51 116.06 3uag n ALA 77 Ca -0.03 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 3uag n ALA 77 Cb 0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 3uag n ALA 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3uag n HIS 78 N -1.16 2.65 -0.27 0.00 -0.00 -0.64 -4.71 115.22 111.10 3uag n HIS 78 Ca 0.17 0.17 0.16 0.00 -0.00 0.00 0.00 57.72 58.22 3uag n HIS 78 Cb 0.17 -2.61 0.45 0.00 -0.00 0.00 0.00 29.99 27.99 3uag n HIS 78 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3uag h PRO 79 N 5.88 0.52 -0.36 1.57 0.11 -1.91 0.17 132.00 137.99 3uag h PRO 79 Ca -0.45 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3uag h PRO 79 Cb 1.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3uag h PRO 79 CO 0.89 0.35 -0.26 0.77 -0.21 0.00 0.00 178.00 179.53 3uag h SER 80 N 0.54 0.75 0.61 -2.05 0.02 -1.94 -1.41 113.55 110.07 3uag h SER 80 Ca 0.48 -0.28 -0.25 0.00 -0.84 0.00 0.00 61.79 60.90 3uag h SER 80 Cb 1.00 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3uag h SER 80 CO -0.22 0.98 -1.10 0.25 -1.14 0.00 0.00 176.83 175.60 3uag h LEU 81 N 0.63 0.37 -0.82 5.07 5.85 -1.32 -2.39 115.31 122.70 3uag h LEU 81 Ca 0.08 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 3uag h LEU 81 Cb 0.77 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3uag h LEU 81 CO 0.06 1.23 0.26 -1.28 -0.34 0.00 0.00 178.44 178.37 3uag h SER 82 N 0.10 1.05 -0.61 1.25 0.87 -0.72 -1.17 113.55 114.32 3uag h SER 82 Ca -0.10 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.19 3uag h SER 82 Cb 1.80 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 3uag h SER 82 CO 0.18 0.96 0.03 0.00 -0.53 0.00 0.00 176.83 177.47 3uag h ALA 83 N 1.18 0.82 -0.44 6.23 0.00 -1.14 0.30 119.26 126.21 3uag h ALA 83 Ca 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3uag h ALA 83 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3uag h ALA 83 CO -0.01 0.63 0.11 0.00 0.00 0.00 0.00 179.25 179.98 3uag h ALA 84 N 1.00 0.58 -0.57 0.00 0.00 -1.08 -1.55 119.26 117.63 3uag h ALA 84 Ca 0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3uag h ALA 84 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3uag h ALA 84 CO 0.03 0.26 0.13 0.00 0.00 0.00 0.00 179.25 179.67 3uag h ALA 85 N 0.97 1.16 -0.13 0.00 0.00 -0.89 -1.43 119.26 118.94 3uag h ALA 85 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3uag h ALA 85 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3uag h ALA 85 CO 0.00 0.57 -0.07 -0.44 0.00 0.00 0.00 179.25 179.31 3uag h ASP 86 N 0.85 0.17 0.32 0.00 3.32 -0.53 -0.37 116.42 120.18 3uag h ASP 86 Ca 0.18 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3uag h ASP 86 Cb 0.32 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3uag h ASP 86 CO -0.00 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 3uag n ALA 87 N -2.50 2.54 -0.95 3.45 0.00 -0.62 -4.91 120.51 117.51 3uag n ALA 87 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3uag n ALA 87 Cb 0.21 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3uag n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3uag n GLY 88 N 1.10 0.47 3.71 0.00 0.00 -0.15 -5.02 105.19 105.31 3uag n GLY 88 Ca 0.18 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3uag n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3uag s ILE 89 N -2.00 4.29 0.18 -0.61 1.01 -0.66 -4.97 121.20 118.44 3uag s ILE 89 Ca 0.00 1.66 -0.31 0.00 0.00 0.00 0.00 60.65 62.00 3uag s ILE 89 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 3uag s ILE 89 CO 0.00 0.14 1.41 -0.70 0.00 0.00 0.00 174.94 175.79 3uag s GLU 90 N 0.97 4.31 -0.09 2.79 2.12 -1.26 -4.43 118.70 123.11 3uag s GLU 90 Ca 0.56 2.18 0.01 0.00 0.36 0.00 0.00 54.97 58.08 3uag s GLU 90 Cb -0.27 -3.18 0.02 0.00 0.26 0.00 0.00 34.13 30.96 3uag s GLU 90 CO 0.29 -0.41 -0.10 0.42 -0.54 0.00 0.00 175.26 174.92 3uag s ILE 91 N 0.53 1.08 0.25 -3.70 1.01 -1.26 -0.86 121.20 118.25 3uag s ILE 91 Ca 0.62 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.89 3uag s ILE 91 Cb -0.39 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 3uag s ILE 91 CO 0.36 0.36 0.09 0.68 0.00 0.00 0.00 174.94 176.43 3uag s VAL 92 N 1.12 0.57 0.12 2.92 -7.23 -0.25 -4.95 120.40 112.69 3uag s VAL 92 Ca -0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3uag s VAL 92 Cb -0.14 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.19 3uag s VAL 92 CO -0.02 -0.02 0.04 0.61 -0.31 0.00 0.00 175.10 175.40 3uag n GLY 93 N -0.46 3.62 0.17 2.32 0.00 -1.13 -0.41 105.19 109.30 3uag n GLY 93 Ca -0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 3uag n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3uag h ASP 94 N 0.22 0.04 0.10 1.61 2.03 -1.93 -2.25 116.42 116.24 3uag h ASP 94 Ca -0.09 -0.02 -0.12 0.00 -0.73 0.00 0.00 57.03 56.07 3uag h ASP 94 Cb 0.28 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.76 3uag h ASP 94 CO 0.14 0.51 -0.41 0.40 -1.03 0.00 0.00 179.24 178.86 3uag h ILE 95 N 0.03 1.31 -0.40 4.15 1.08 -1.93 -0.59 117.51 121.16 3uag h ILE 95 Ca -0.00 -1.55 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 3uag h ILE 95 Cb 0.86 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 36.21 3uag h ILE 95 CO 0.06 0.48 0.20 -0.08 -0.69 0.00 0.00 178.15 178.12 3uag h GLU 96 N 0.33 0.56 -0.76 2.37 4.57 -1.70 -1.09 114.58 118.87 3uag h GLU 96 Ca 0.03 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3uag h GLU 96 Cb 0.86 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3uag h GLU 96 CO 0.07 0.48 0.42 -0.07 -1.18 0.00 0.00 179.01 178.72 3uag h LEU 97 N 0.50 0.95 0.23 1.64 3.38 -1.05 -2.41 115.31 118.55 3uag h LEU 97 Ca 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3uag h LEU 97 Cb 0.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3uag h LEU 97 CO -0.02 0.78 -0.11 0.15 0.09 0.00 0.00 178.44 179.33 3uag h PHE 98 N 1.05 -0.28 -0.79 1.13 3.57 -0.82 -3.01 116.94 117.79 3uag h PHE 98 Ca 0.27 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.87 3uag h PHE 98 Cb 0.04 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 3uag h PHE 98 CO 0.00 -0.18 0.52 0.00 -2.23 0.00 0.00 178.31 176.42 3uag h ARG 100 N 0.69 0.00 0.00 0.00 3.08 -1.30 -3.25 114.38 113.60 3uag h ARG 100 Ca 0.37 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.16 3uag h ARG 100 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 3uag h ARG 100 CO -0.14 0.05 -1.97 0.39 -1.07 0.00 0.00 179.97 177.23 3uag n GLU 101 N -3.20 1.68 -1.73 0.04 -0.58 -0.25 -3.95 120.64 112.65 3uag n GLU 101 Ca -0.00 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 3uag n GLU 101 Cb 0.28 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 3uag n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3uag n ALA 102 N -2.53 2.39 -1.37 0.62 0.00 0.66 -4.92 120.51 115.35 3uag n ALA 102 Ca -0.23 0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.67 3uag n ALA 102 Cb 0.96 -2.45 0.18 0.00 0.00 0.00 0.00 19.45 18.14 3uag n ALA 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3uag n GLN 103 N 2.32 1.48 -4.09 0.00 1.13 -1.26 -4.99 117.38 111.97 3uag n GLN 103 Ca 0.10 -3.00 -0.09 0.00 -1.94 0.00 0.00 57.00 52.07 3uag n GLN 103 Cb 0.36 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 29.03 3uag n GLN 103 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3uag s ALA 104 N -3.09 0.58 0.58 -1.58 0.00 -1.26 -5.02 121.76 111.97 3uag s ALA 104 Ca 0.36 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 3uag s ALA 104 Cb 0.33 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.58 3uag s ALA 104 CO -0.03 -0.24 0.98 -2.30 0.00 0.00 0.00 175.76 174.17 3uag n PRO 105 N 0.53 0.98 -4.69 0.00 -0.02 -1.26 -4.69 135.00 125.84 3uag n PRO 105 Ca -0.17 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 3uag n PRO 105 Cb 0.59 -2.16 -0.16 0.00 -0.02 0.00 0.00 33.50 31.75 3uag n PRO 105 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3uag s ILE 106 N -1.48 2.54 -0.22 4.25 1.01 -1.26 -0.84 121.20 125.19 3uag s ILE 106 Ca 0.74 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 3uag s ILE 106 Cb -0.43 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 3uag s ILE 106 CO 0.48 0.53 0.30 -0.69 0.00 0.00 0.00 174.94 175.56 3uag s VAL 107 N 0.67 5.26 -0.10 2.92 1.01 0.58 -0.73 120.40 130.01 3uag s VAL 107 Ca -0.08 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.41 3uag s VAL 107 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3uag s VAL 107 CO 0.02 0.28 -0.23 0.00 0.00 0.00 0.00 175.10 175.17 3uag s ALA 108 N 1.26 2.11 -0.15 5.51 0.00 -0.66 -0.19 121.76 129.64 3uag s ALA 108 Ca 0.14 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 3uag s ALA 108 Cb -0.14 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3uag s ALA 108 CO 0.07 0.24 -0.07 0.42 0.00 0.00 0.00 175.76 176.42 3uag s ILE 109 N 0.42 1.13 0.35 0.00 1.01 0.16 -2.10 121.20 122.17 3uag s ILE 109 Ca -0.17 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3uag s ILE 109 Cb -0.18 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 3uag s ILE 109 CO 0.07 0.23 0.10 1.07 0.00 0.00 0.00 174.94 176.41 3uag n THR 110 N 4.88 0.00 0.00 2.92 5.66 -0.17 -0.76 114.28 126.82 3uag n THR 110 Ca -0.12 -1.94 0.00 0.00 -3.05 0.00 0.00 64.05 58.93 3uag n THR 110 Cb 0.49 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 3uag n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3uag n GLY 111 N -0.17 4.08 0.19 1.09 0.00 -1.26 -1.00 105.19 108.13 3uag n GLY 111 Ca -0.07 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 3uag n GLY 111 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3uag h SER 112 N 0.00 0.32 -5.02 1.61 0.02 -1.48 -3.44 113.55 105.57 3uag h SER 112 Ca 0.00 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 3uag h SER 112 Cb 0.00 -0.09 -0.19 0.00 0.14 0.00 0.00 62.40 62.26 3uag h SER 112 CO 0.00 0.76 -0.39 0.20 -1.14 0.00 0.00 176.83 176.27 3uag s ASN 113 N -6.88 -0.04 0.00 3.07 0.01 -1.26 -4.91 114.94 104.93 3uag s ASN 113 Ca -0.05 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 3uag s ASN 113 Cb 0.13 0.27 0.00 0.00 0.41 0.00 0.00 41.25 42.05 3uag s ASN 113 CO 0.79 -0.46 0.00 0.61 -1.51 0.00 0.00 177.10 176.53 3uag n GLY 114 N 1.12 0.78 0.14 0.66 0.00 -1.26 -4.70 105.19 101.94 3uag n GLY 114 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 3uag n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3uag h LYS 115 N 3.80 0.25 -0.48 1.61 1.57 -1.88 -0.86 116.57 120.57 3uag h LYS 115 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3uag h LYS 115 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3uag h LYS 115 CO 0.00 0.16 -0.16 0.77 -0.57 0.00 0.00 179.45 179.65 3uag h SER 116 N 0.25 0.95 -0.01 0.86 0.02 -1.95 0.10 113.55 113.78 3uag h SER 116 Ca 0.13 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3uag h SER 116 Cb 0.09 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3uag h SER 116 CO -0.13 1.09 0.01 0.74 -1.14 0.00 0.00 176.83 177.40 3uag h THR 117 N 0.83 1.01 -0.30 -2.27 2.02 -1.92 -0.35 112.91 111.93 3uag h THR 117 Ca 0.12 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.13 3uag h THR 117 Cb 0.71 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3uag h THR 117 CO 0.05 0.01 -0.35 0.58 0.37 0.00 0.00 175.52 176.18 3uag h VAL 118 N 0.00 1.29 -0.33 3.16 2.07 -0.96 -0.73 116.25 120.74 3uag h VAL 118 Ca 0.00 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 3uag h VAL 118 Cb 0.01 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3uag h VAL 118 CO -0.00 0.49 0.16 0.74 0.02 0.00 0.00 177.57 178.98 3uag h THR 119 N 0.57 1.16 -0.62 2.57 2.02 -0.70 -0.95 112.91 116.96 3uag h THR 119 Ca 0.06 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 3uag h THR 119 Cb 0.87 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3uag h THR 119 CO 0.08 0.16 0.07 0.74 0.37 0.00 0.00 175.52 176.94 3uag h THR 120 N 0.41 1.26 -0.06 3.16 2.02 -0.89 -1.69 112.91 117.11 3uag h THR 120 Ca 0.12 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.26 3uag h THR 120 Cb 0.11 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3uag h THR 120 CO -0.02 0.39 -0.04 -0.07 0.37 0.00 0.00 175.52 176.16 3uag h LEU 121 N 0.95 -0.12 -1.17 2.58 3.38 -0.84 0.17 115.31 120.26 3uag h LEU 121 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3uag h LEU 121 Cb 0.47 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3uag h LEU 121 CO 0.02 -0.05 0.32 0.58 0.09 0.00 0.00 178.44 179.39 3uag h VAL 122 N -0.04 1.20 -0.85 1.22 2.07 -1.06 0.00 116.25 118.80 3uag h VAL 122 Ca 0.04 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3uag h VAL 122 Cb 0.09 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3uag h VAL 122 CO -0.08 0.24 0.55 1.23 0.02 0.00 0.00 177.57 179.52 3uag h GLY 123 N 0.97 1.24 1.55 2.17 0.00 -0.62 -0.86 103.07 107.52 3uag h GLY 123 Ca 0.22 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 3uag h GLY 123 CO -0.03 0.36 -0.41 0.83 0.00 0.00 0.00 176.54 177.28 3uag h GLU 124 N 1.07 0.49 -0.69 4.80 4.39 -0.27 -0.41 114.58 123.96 3uag h GLU 124 Ca 0.34 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3uag h GLU 124 Cb -0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3uag h GLU 124 CO -0.11 0.82 0.34 0.52 -1.16 0.00 0.00 179.01 179.42 3uag h MET 125 N 0.41 0.99 -0.28 2.33 2.86 -0.36 0.50 114.93 121.37 3uag h MET 125 Ca 0.03 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3uag h MET 125 Cb 0.90 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3uag h MET 125 CO 0.08 0.77 -0.15 0.00 1.06 0.00 0.00 176.91 178.67 3uag h ALA 126 N 1.16 0.39 -0.79 6.32 0.00 -0.88 -2.63 119.26 122.84 3uag h ALA 126 Ca 0.24 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3uag h ALA 126 Cb 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3uag h ALA 126 CO -0.03 0.29 0.49 0.87 0.00 0.00 0.00 179.25 180.87 3uag h LYS 127 N 0.33 0.90 0.00 0.00 1.57 -0.95 -0.26 116.57 118.16 3uag h LYS 127 Ca 0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3uag h LYS 127 Cb 0.67 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3uag h LYS 127 CO 0.04 0.60 -0.01 0.00 -0.57 0.00 0.00 179.45 179.51 3uag h ALA 128 N 1.36 1.90 -0.04 3.86 0.00 -0.70 0.11 119.26 125.75 3uag h ALA 128 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3uag h ALA 128 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3uag h ALA 128 CO -0.14 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3uag n ALA 129 N -2.50 2.59 -1.67 0.00 0.00 -0.70 -4.90 120.51 113.32 3uag n ALA 129 Ca -0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 3uag n ALA 129 Cb 0.09 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 3uag n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3uag n GLY 130 N 1.12 0.57 3.76 0.00 0.00 0.03 -5.02 105.19 105.65 3uag n GLY 130 Ca 0.19 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3uag n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3uag s VAL 131 N -2.37 4.67 -0.58 1.61 1.01 -0.19 -5.00 120.40 119.55 3uag s VAL 131 Ca 0.00 1.54 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 3uag s VAL 131 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3uag s VAL 131 CO 0.00 0.43 1.54 0.21 0.00 0.00 0.00 175.10 177.28 3uag s ASN 132 N -0.47 5.90 -0.05 3.32 3.84 -1.26 -4.22 114.94 122.00 3uag s ASN 132 Ca 0.35 0.27 0.04 0.00 0.21 0.00 0.00 52.86 53.74 3uag s ASN 132 Cb -0.21 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.93 3uag s ASN 132 CO 0.22 -1.90 -0.17 0.54 -2.79 0.00 0.00 177.10 173.01 3uag s VAL 133 N 6.84 2.81 -0.19 -5.21 0.11 -1.26 0.33 120.40 123.83 3uag s VAL 133 Ca 0.56 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 3uag s VAL 133 Cb -0.12 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 3uag s VAL 133 CO 0.23 0.58 -0.01 -0.83 -3.33 0.00 0.00 175.10 171.74 3uag s GLY 134 N -0.57 1.71 -0.16 6.54 0.00 0.20 -4.97 107.32 110.07 3uag s GLY 134 Ca 0.08 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.86 3uag s GLY 134 CO 0.01 0.15 -0.17 0.14 0.00 0.00 0.00 173.10 173.23 3uag s VAL 135 N 0.82 2.44 0.00 1.40 1.01 -1.26 -0.84 120.40 123.97 3uag s VAL 135 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3uag s VAL 135 Cb -0.14 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3uag s VAL 135 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3uag n GLY 136 N 4.24 1.76 0.00 4.51 0.00 -0.79 -4.84 105.19 110.08 3uag n GLY 136 Ca -0.20 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3uag n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3uag n GLY 137 N 0.00 0.89 0.19 -0.02 0.00 -0.08 -1.13 105.19 105.04 3uag n GLY 137 Ca 0.00 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.49 3uag n GLY 137 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3uag h ASN 138 N 0.00 0.00 -0.07 1.61 -1.24 -0.75 -1.05 115.58 114.07 3uag h ASN 138 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 3uag h ASN 138 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 3uag h ASN 138 CO 0.00 0.00 0.07 -0.29 -1.29 0.00 0.00 177.43 175.92 3uag h ILE 139 N 0.00 0.59 0.00 2.57 2.10 -1.77 -3.46 117.51 117.54 3uag h ILE 139 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3uag h ILE 139 Cb 0.21 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 3uag h ILE 139 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 3uag n GLY 140 N -1.39 0.83 3.38 8.18 0.00 -0.40 -5.09 105.19 110.70 3uag n GLY 140 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3uag n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3uag s LEU 141 N 0.00 4.84 0.11 0.99 2.96 -1.23 -4.99 118.68 121.36 3uag s LEU 141 Ca 0.00 -1.03 -0.36 0.00 -0.22 0.00 0.00 54.13 52.52 3uag s LEU 141 Cb 0.00 -2.05 -0.15 0.00 0.50 0.00 0.00 46.19 44.49 3uag s LEU 141 CO 0.00 -0.42 1.46 -2.65 -1.32 0.00 0.00 176.35 173.42 3uag n PRO 142 N 5.02 1.58 -0.26 0.98 -0.02 -1.26 -0.90 135.00 140.15 3uag n PRO 142 Ca -0.12 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3uag n PRO 142 Cb 0.46 -2.27 0.39 0.00 -0.02 0.00 0.00 33.50 32.06 3uag n PRO 142 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3uag h ALA 143 N 5.25 1.87 0.00 3.55 0.00 -1.91 -0.26 119.26 127.76 3uag h ALA 143 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3uag h ALA 143 Cb 1.30 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3uag h ALA 143 CO 0.83 -0.10 -0.08 -0.07 0.00 0.00 0.00 179.25 179.82 3uag h LEU 144 N 0.66 0.00 -0.29 0.00 3.38 -1.88 0.06 115.31 117.24 3uag h LEU 144 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3uag h LEU 144 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3uag h LEU 144 CO -0.19 0.08 0.00 0.23 0.09 0.00 0.00 178.44 178.65 3uag n MET 145 N -3.78 0.12 0.17 1.13 2.81 -0.11 -2.76 117.12 114.70 3uag n MET 145 Ca -0.02 0.28 0.06 0.00 -1.81 0.00 0.00 57.70 56.21 3uag n MET 145 Cb 0.18 -1.70 0.14 0.00 -0.71 0.00 0.00 33.22 31.13 3uag n MET 145 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3uag h LEU 146 N 0.00 0.00 -9.26 4.03 3.38 -1.07 -3.47 115.31 108.91 3uag h LEU 146 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3uag h LEU 146 Cb 0.41 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.18 3uag h LEU 146 CO 0.00 0.35 1.21 0.18 0.09 0.00 0.00 178.44 180.27 3uag n LEU 147 N -3.24 3.74 -3.65 1.67 4.77 -1.11 -4.91 117.00 114.27 3uag n LEU 147 Ca 0.02 0.85 -0.05 0.00 -0.03 0.00 0.00 56.01 56.80 3uag n LEU 147 Cb 0.63 -1.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.20 3uag n LEU 147 CO 0.38 -0.01 0.21 -0.62 -1.33 0.00 0.00 177.39 176.03 3uag s ASP 148 N 4.76 -0.84 0.34 -1.43 2.15 -1.26 -5.04 116.67 115.35 3uag s ASP 148 Ca 0.92 1.36 0.26 0.00 0.43 0.00 0.00 52.55 55.52 3uag s ASP 148 Cb -0.54 1.65 1.12 0.00 -0.30 0.00 0.00 42.92 44.84 3uag s ASP 148 CO 0.46 -0.22 1.78 0.44 -0.17 0.00 0.00 175.17 177.46 3uag h ASP 149 N 7.62 0.00 0.74 -0.34 3.32 -2.00 -1.47 116.42 124.29 3uag h ASP 149 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3uag h ASP 149 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3uag h ASP 149 CO 0.15 0.00 -0.48 -0.62 -1.72 0.00 0.00 179.24 176.56 3uag n GLU 150 N -2.45 0.13 -2.28 3.56 -0.58 -1.26 -4.90 120.64 112.86 3uag n GLU 150 Ca 0.01 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 3uag n GLU 150 Cb 0.23 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 3uag n GLU 150 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3uag n GLU 152 N 3.09 1.59 -3.64 0.00 1.02 0.15 -4.68 120.64 118.17 3uag n GLU 152 Ca 0.07 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.09 3uag n GLU 152 Cb 0.44 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 3uag n GLU 152 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3uag s LEU 153 N -3.05 -0.83 -0.12 -4.62 2.96 -1.05 -4.31 118.68 107.66 3uag s LEU 153 Ca 0.03 1.41 -0.02 0.00 -0.22 0.00 0.00 54.13 55.33 3uag s LEU 153 Cb 0.11 2.34 -0.03 0.00 0.50 0.00 0.00 46.19 49.11 3uag s LEU 153 CO 0.64 -0.23 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.08 3uag s TYR 154 N 1.16 3.02 -0.25 5.38 2.02 -0.02 -0.63 117.35 128.03 3uag s TYR 154 Ca -0.06 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3uag s TYR 154 Cb -0.05 -1.87 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3uag s TYR 154 CO -0.13 0.13 -0.09 0.08 -1.57 0.00 0.00 175.55 173.97 3uag s VAL 155 N -0.12 2.48 -0.19 0.71 1.01 -0.02 -0.31 120.40 123.97 3uag s VAL 155 Ca 0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 3uag s VAL 155 Cb -0.13 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3uag s VAL 155 CO 0.03 0.10 -0.06 -0.76 0.00 0.00 0.00 175.10 174.40 3uag s LEU 156 N 1.21 2.92 -0.12 3.92 1.43 0.73 -1.89 118.68 126.89 3uag s LEU 156 Ca -0.04 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3uag s LEU 156 Cb -0.18 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3uag s LEU 156 CO -0.05 0.05 1.05 -0.70 0.23 0.00 0.00 176.35 176.93 3uag s GLU 157 N 1.07 4.38 -0.07 1.70 2.12 -0.28 -0.66 118.70 126.95 3uag s GLU 157 Ca 0.01 1.45 0.04 0.00 0.36 0.00 0.00 54.97 56.83 3uag s GLU 157 Cb -0.15 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.68 3uag s GLU 157 CO -0.00 -0.40 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.59 3uag s LEU 158 N 2.27 2.00 0.62 2.70 1.43 0.06 -0.03 118.68 127.74 3uag s LEU 158 Ca 0.49 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3uag s LEU 158 Cb -0.19 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.79 3uag s LEU 158 CO 0.17 0.17 0.92 -0.94 0.23 0.00 0.00 176.35 176.90 3uag s SER 159 N 0.19 5.37 0.37 2.29 1.04 -1.26 -4.22 113.70 117.47 3uag s SER 159 Ca -0.12 0.60 0.07 0.00 0.48 0.00 0.00 55.95 56.98 3uag s SER 159 Cb -0.16 -1.50 0.73 0.00 0.10 0.00 0.00 66.02 65.20 3uag s SER 159 CO 0.06 -1.21 1.93 0.77 0.98 0.00 0.00 173.24 175.77 3uag h SER 160 N -0.27 0.40 -0.20 7.02 4.64 -1.92 -1.49 113.55 121.72 3uag h SER 160 Ca -0.45 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 3uag h SER 160 Cb 1.27 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3uag h SER 160 CO 0.60 0.45 0.05 -0.26 -0.87 0.00 0.00 176.83 176.79 3uag h PHE 161 N 0.42 0.34 -0.82 4.77 0.04 -1.93 -1.87 116.94 117.89 3uag h PHE 161 Ca 0.10 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3uag h PHE 161 Cb 0.25 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 3uag h PHE 161 CO 0.01 0.45 0.53 1.96 -0.60 0.00 0.00 178.31 180.65 3uag h GLN 162 N 0.14 1.02 -0.29 1.51 4.20 -1.76 -2.84 115.11 117.08 3uag h GLN 162 Ca 0.06 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3uag h GLN 162 Cb 0.28 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3uag h GLN 162 CO 0.00 0.67 0.03 -0.07 -0.67 0.00 0.00 178.83 178.80 3uag h LEU 163 N 1.05 0.40 -1.55 1.46 3.38 -1.03 -2.73 115.31 116.29 3uag h LEU 163 Ca 0.32 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.39 3uag h LEU 163 Cb -0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3uag h LEU 163 CO -0.10 0.44 0.53 -0.33 0.09 0.00 0.00 178.44 179.07 3uag h GLU 164 N 0.42 0.42 -0.44 1.13 5.08 -1.09 -1.78 114.58 118.32 3uag h GLU 164 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3uag h GLU 164 Cb 0.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3uag h GLU 164 CO 0.00 0.28 0.00 0.25 -1.00 0.00 0.00 179.01 178.54 3uag n THR 165 N -4.49 1.91 -4.96 1.13 -2.24 -1.03 -4.95 114.28 99.65 3uag n THR 165 Ca 0.15 -1.41 -0.32 0.00 -2.27 0.00 0.00 64.05 60.20 3uag n THR 165 Cb 0.55 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.67 3uag n THR 165 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3uag s THR 166 N -2.10 2.77 0.00 4.28 2.01 -0.67 -2.85 115.64 119.08 3uag s THR 166 Ca 0.42 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3uag s THR 166 Cb 0.30 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.71 3uag s THR 166 CO 0.16 0.56 0.00 -1.54 -0.69 0.00 0.00 174.62 173.12 3uag n SER 167 N 2.92 0.70 -1.07 3.53 3.41 -1.26 -4.84 113.62 117.01 3uag n SER 167 Ca -0.18 -0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.47 3uag n SER 167 Cb 0.52 0.23 0.29 0.00 -0.26 0.00 0.00 64.21 64.99 3uag n SER 167 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3uag n SER 168 N -0.30 4.22 -4.68 4.04 7.64 -1.26 -4.96 113.62 118.31 3uag n SER 168 Ca 0.00 -2.99 -0.43 0.00 1.01 0.00 0.00 58.87 56.46 3uag n SER 168 Cb 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 3uag n SER 168 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3uag s LEU 169 N -2.79 4.22 -0.57 -3.43 2.96 -1.26 -4.76 118.68 113.05 3uag s LEU 169 Ca 0.44 1.53 0.04 0.00 -0.22 0.00 0.00 54.13 55.92 3uag s LEU 169 Cb 0.35 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.65 3uag s LEU 169 CO 0.10 -0.51 0.39 -1.10 -1.32 0.00 0.00 176.35 173.92 3uag s GLN 170 N 2.29 1.84 0.43 1.98 -0.21 -1.26 -4.63 119.66 120.09 3uag s GLN 170 Ca 0.48 -2.75 -0.24 0.00 0.02 0.00 0.00 55.36 52.88 3uag s GLN 170 Cb -0.18 -2.73 -0.08 0.00 1.00 0.00 0.00 33.01 31.02 3uag s GLN 170 CO 0.16 -1.27 1.14 0.00 -2.12 0.00 0.00 175.29 173.20 3uag s ALA 171 N -0.67 3.05 0.31 6.09 0.00 -1.25 -4.73 121.76 124.55 3uag s ALA 171 Ca 0.25 0.90 0.05 0.00 0.00 0.00 0.00 51.96 53.15 3uag s ALA 171 Cb -0.08 -3.36 0.51 0.00 0.00 0.00 0.00 23.12 20.19 3uag s ALA 171 CO -0.13 -0.53 1.77 -0.24 0.00 0.00 0.00 175.76 176.64 3uag h VAL 172 N 2.07 1.25 -2.62 0.00 3.04 -1.28 0.17 116.25 118.87 3uag h VAL 172 Ca -0.49 -1.15 -0.11 0.00 -1.01 0.00 0.00 66.70 63.93 3uag h VAL 172 Cb 1.24 1.32 -0.26 0.00 -2.01 0.00 0.00 31.29 31.58 3uag h VAL 172 CO 0.61 0.36 -0.29 0.00 -1.01 0.00 0.00 177.57 177.25 3uag s ALA 173 N -4.55 -1.08 0.04 3.17 0.00 -1.24 -1.93 121.76 116.18 3uag s ALA 173 Ca -0.06 1.56 0.03 0.00 0.00 0.00 0.00 51.96 53.49 3uag s ALA 173 Cb 0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 3uag s ALA 173 CO 0.77 -0.27 -0.10 0.00 0.00 0.00 0.00 175.76 176.16 3uag s ALA 174 N 1.39 0.80 0.00 0.00 0.00 -0.66 -1.65 121.76 121.66 3uag s ALA 174 Ca -0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 3uag s ALA 174 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3uag s ALA 174 CO -0.13 0.10 0.01 -0.08 0.00 0.00 0.00 175.76 175.66 3uag s THR 175 N -0.98 0.05 -0.29 0.00 -1.32 -0.89 -0.06 115.64 112.14 3uag s THR 175 Ca -0.03 -0.38 -0.09 0.00 -1.21 0.00 0.00 61.69 59.98 3uag s THR 175 Cb -0.08 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.75 3uag s THR 175 CO 0.01 -0.21 0.13 -0.63 -2.21 0.00 0.00 174.62 171.71 3uag s ILE 176 N -0.61 4.56 0.19 5.08 1.01 -1.24 -1.00 121.20 129.18 3uag s ILE 176 Ca -0.07 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3uag s ILE 176 Cb -0.04 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 39.06 3uag s ILE 176 CO -0.00 0.16 1.45 -0.07 0.00 0.00 0.00 174.94 176.47 3uag h LEU 177 N 8.32 0.30 -7.00 2.97 3.38 -1.40 -3.38 115.31 118.50 3uag h LEU 177 Ca -0.34 -0.21 0.27 0.00 0.09 0.00 0.00 57.88 57.69 3uag h LEU 177 Cb 1.16 -0.09 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 3uag h LEU 177 CO 0.60 0.95 0.88 0.54 0.09 0.00 0.00 178.44 181.50 3uag s ASN 178 N -6.93 -0.09 -0.25 -0.43 2.20 -1.26 -4.68 114.94 103.51 3uag s ASN 178 Ca -0.04 0.03 -0.01 0.00 -0.94 0.00 0.00 52.86 51.90 3uag s ASN 178 Cb 0.11 0.08 0.07 0.00 -2.00 0.00 0.00 41.25 39.52 3uag s ASN 178 CO 0.82 -0.13 0.04 -0.69 -2.94 0.00 0.00 177.10 174.20 3uag s VAL 179 N -1.90 0.91 0.13 3.54 1.01 -1.26 -1.17 120.40 121.66 3uag s VAL 179 Ca 0.09 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3uag s VAL 179 Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3uag s VAL 179 CO -0.04 -0.35 -0.10 0.42 0.00 0.00 0.00 175.10 175.02 3uag s THR 180 N 1.65 1.11 -0.20 3.92 -4.23 -1.26 -4.95 115.64 111.67 3uag s THR 180 Ca 0.02 -1.90 -0.39 0.00 -1.18 0.00 0.00 61.69 58.23 3uag s THR 180 Cb -0.18 -1.67 -0.16 0.00 1.34 0.00 0.00 72.50 71.83 3uag s THR 180 CO -0.13 -0.66 1.67 1.21 -0.54 0.00 0.00 174.62 176.17 3uag n GLU 181 N 0.10 1.18 -3.46 3.99 2.13 -1.26 -4.86 120.64 118.46 3uag n GLU 181 Ca -0.12 0.43 -0.11 0.00 0.66 0.00 0.00 57.16 58.02 3uag n GLU 181 Cb 0.59 -2.11 -0.02 0.00 0.27 0.00 0.00 31.44 30.17 3uag n GLU 181 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3uag s ASP 182 N 2.98 -0.50 -1.64 4.31 -1.08 -1.26 -4.53 116.67 114.95 3uag s ASP 182 Ca 0.96 -0.03 -0.00 0.00 -0.52 0.00 0.00 52.55 52.95 3uag s ASP 182 Cb -1.04 0.55 0.00 0.00 -1.46 0.00 0.00 42.92 40.97 3uag s ASP 182 CO 0.62 -0.90 0.05 1.41 0.52 0.00 0.00 175.17 176.87 3uag n HIS 183 N -0.35 -1.16 0.30 -5.34 8.25 -1.26 -4.84 115.22 110.81 3uag n HIS 183 Ca -0.14 0.05 0.16 0.00 -0.26 0.00 0.00 57.72 57.52 3uag n HIS 183 Cb 0.64 -3.80 0.62 0.00 1.12 0.00 0.00 29.99 28.57 3uag n HIS 183 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3uag h MET 184 N -0.12 0.00 0.00 -0.41 2.86 -1.84 -0.48 114.93 114.94 3uag h MET 184 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3uag h MET 184 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 3uag h MET 184 CO 0.54 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.11 3uag n ASP 185 N -2.95 0.64 -0.24 1.22 5.75 -1.04 -2.22 116.55 117.70 3uag n ASP 185 Ca 0.01 0.70 0.05 0.00 -0.01 0.00 0.00 54.79 55.54 3uag n ASP 185 Cb 0.31 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 3uag n ASP 185 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3uag n ARG 186 N -2.26 1.95 -3.70 0.11 5.12 -0.20 -4.85 116.66 112.83 3uag n ARG 186 Ca 0.01 -0.64 -0.28 0.00 -1.93 0.00 0.00 57.85 55.01 3uag n ARG 186 Cb 0.16 -1.08 -0.12 0.00 -1.16 0.00 0.00 32.46 30.26 3uag n ARG 186 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3uag s TYR 187 N -1.29 2.45 -0.96 -1.55 2.02 -0.94 -4.96 117.35 112.11 3uag s TYR 187 Ca 0.08 -2.83 0.15 0.00 -0.37 0.00 0.00 57.07 54.10 3uag s TYR 187 Cb 0.08 -1.97 0.63 0.00 -0.40 0.00 0.00 41.96 40.30 3uag s TYR 187 CO 0.23 -0.69 1.47 -0.35 -1.57 0.00 0.00 175.55 174.65 3uag n PRO 188 N 2.58 0.01 -0.83 -1.71 -0.04 -1.26 -0.60 135.00 133.16 3uag n PRO 188 Ca 0.21 0.27 0.06 0.00 -0.04 0.00 0.00 63.50 63.99 3uag n PRO 188 Cb 0.39 -1.53 0.37 0.00 -0.04 0.00 0.00 33.50 32.69 3uag n PRO 188 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3uag n PHE 189 N -1.55 1.90 -4.11 0.54 3.01 -1.26 -5.06 117.46 110.93 3uag n PHE 189 Ca 0.03 -0.83 0.00 0.00 1.01 0.00 0.00 57.45 57.67 3uag n PHE 189 Cb 0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 3uag n PHE 189 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3uag n GLY 190 N 0.29 -1.39 0.32 1.37 0.00 0.23 -3.91 105.19 102.09 3uag n GLY 190 Ca 0.28 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 45.04 3uag n GLY 190 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3uag h LEU 191 N 0.00 0.76 -1.34 0.99 5.85 -1.96 -1.25 115.31 118.35 3uag h LEU 191 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3uag h LEU 191 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3uag h LEU 191 CO 0.00 0.46 -0.26 1.56 -0.34 0.00 0.00 178.44 179.86 3uag h GLN 192 N 0.88 0.00 -0.08 1.25 1.08 -1.99 0.10 115.11 116.36 3uag h GLN 192 Ca 0.39 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.48 3uag h GLN 192 Cb 0.29 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3uag h GLN 192 CO -0.22 0.26 -0.40 0.37 -0.95 0.00 0.00 178.83 177.89 3uag h GLN 193 N 0.00 0.41 -0.43 1.46 4.15 -1.36 -1.08 115.11 118.26 3uag h GLN 193 Ca -0.00 -0.34 0.06 0.00 0.77 0.00 0.00 58.65 59.14 3uag h GLN 193 Cb 0.64 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 3uag h GLN 193 CO 0.03 0.97 0.14 -0.92 -1.93 0.00 0.00 178.83 177.13 3uag h TYR 194 N -0.05 0.25 -0.90 3.99 3.20 -1.28 -1.86 116.97 120.33 3uag h TYR 194 Ca -0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3uag h TYR 194 Cb 1.05 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 3uag h TYR 194 CO 0.12 0.08 0.53 -0.09 -1.64 0.00 0.00 178.16 177.17 3uag h ARG 195 N 0.30 1.23 -0.53 1.82 2.43 -0.95 -2.09 114.38 116.59 3uag h ARG 195 Ca 0.20 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3uag h ARG 195 Cb 0.21 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3uag h ARG 195 CO -0.22 0.87 0.24 0.00 -1.51 0.00 0.00 179.97 179.35 3uag h ALA 196 N 1.29 1.41 0.00 2.80 0.00 -0.50 -0.40 119.26 123.86 3uag h ALA 196 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3uag h ALA 196 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3uag h ALA 196 CO -0.06 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3uag n ALA 197 N -2.46 1.29 0.00 0.00 0.00 -0.76 -3.21 120.51 115.37 3uag n ALA 197 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3uag n ALA 197 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3uag n ALA 197 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3uag n LEU 199 N 0.55 0.00 0.28 0.00 4.77 -0.16 -4.40 117.00 118.04 3uag n LEU 199 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3uag n LEU 199 Cb 0.04 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.04 3uag n LEU 199 CO 0.00 0.00 1.13 0.03 -1.33 0.00 0.00 177.39 177.22 3uag h ARG 200 N 0.00 0.00 0.00 3.23 3.08 -1.83 -2.54 114.38 116.32 3uag h ARG 200 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3uag h ARG 200 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3uag h ARG 200 CO 0.00 0.00 -0.14 0.97 -1.07 0.00 0.00 179.97 179.73 3uag h ILE 201 N 0.00 0.93 0.00 2.04 2.10 -1.92 -2.40 117.51 118.26 3uag h ILE 201 Ca 0.02 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.43 3uag h ILE 201 Cb 0.09 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 3uag h ILE 201 CO -0.00 0.14 -0.04 1.88 -1.08 0.00 0.00 178.15 179.05 3uag h TYR 202 N 0.00 0.00 -2.12 2.19 0.05 -1.83 -3.42 116.97 111.84 3uag h TYR 202 Ca -0.00 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.20 3uag h TYR 202 Cb 0.28 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.04 3uag h TYR 202 CO 0.00 0.00 1.24 0.39 -1.05 0.00 0.00 178.16 178.74 3uag n GLU 203 N -2.57 2.40 -1.28 4.88 1.02 -0.91 -1.33 120.64 122.85 3uag n GLU 203 Ca 0.05 0.85 -0.10 0.00 -0.02 0.00 0.00 57.16 57.94 3uag n GLU 203 Cb 0.47 -2.89 -0.04 0.00 -0.02 0.00 0.00 31.44 28.96 3uag n GLU 203 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3uag n ASN 204 N 7.95 -4.74 -4.75 1.62 3.02 -1.26 -4.58 115.26 112.52 3uag n ASN 204 Ca 0.23 0.24 -0.40 0.00 -0.03 0.00 0.00 54.58 54.62 3uag n ASN 204 Cb 0.36 -3.10 -0.04 0.00 -0.61 0.00 0.00 39.78 36.39 3uag n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3uag s ALA 205 N -2.17 3.41 0.02 5.41 0.00 -0.44 -3.91 121.76 124.07 3uag s ALA 205 Ca 0.00 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 52.63 3uag s ALA 205 Cb 0.00 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.61 3uag s ALA 205 CO 0.00 -0.20 1.36 -0.22 0.00 0.00 0.00 175.76 176.70 3uag h LYS 206 N 4.17 0.18 -5.88 0.00 3.64 -0.73 -3.42 116.57 114.52 3uag h LYS 206 Ca -0.46 -0.08 -0.67 0.00 -1.27 0.00 0.00 60.65 58.17 3uag h LYS 206 Cb 1.21 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.71 3uag h LYS 206 CO 0.69 0.56 -0.88 0.08 -2.27 0.00 0.00 179.45 177.63 3uag s VAL 207 N -4.49 1.94 -0.11 2.00 1.01 -0.81 -5.02 120.40 114.92 3uag s VAL 207 Ca -0.15 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 3uag s VAL 207 Cb 0.04 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3uag s VAL 207 CO 0.71 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 176.30 3uag s VAL 209 N -0.35 2.68 0.31 0.00 1.01 0.91 -0.74 120.40 124.23 3uag s VAL 209 Ca 0.06 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 60.97 3uag s VAL 209 Cb -0.12 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3uag s VAL 209 CO 0.02 0.17 0.14 0.68 0.00 0.00 0.00 175.10 176.11 3uag s VAL 210 N 1.28 3.39 -0.38 2.92 -7.23 0.47 -3.68 120.40 117.18 3uag s VAL 210 Ca -0.01 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 3uag s VAL 210 Cb -0.17 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.73 3uag s VAL 210 CO -0.05 -0.25 0.38 0.21 -0.31 0.00 0.00 175.10 175.08 3uag s ASN 211 N -3.83 6.18 0.59 4.85 3.84 -1.26 -1.06 114.94 124.26 3uag s ASN 211 Ca 0.36 -0.45 0.37 0.00 0.21 0.00 0.00 52.86 53.35 3uag s ASN 211 Cb -0.05 -2.20 1.84 0.00 -0.55 0.00 0.00 41.25 40.29 3uag s ASN 211 CO 0.23 -0.44 2.17 0.00 -2.79 0.00 0.00 177.10 176.27 3uag h ALA 212 N 8.58 1.07 -0.17 1.71 0.00 -1.23 -1.29 119.26 127.92 3uag h ALA 212 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3uag h ALA 212 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3uag h ALA 212 CO 0.73 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.77 3uag n ASP 213 N -3.22 2.46 -3.64 0.00 8.00 -1.26 -4.70 116.55 114.20 3uag n ASP 213 Ca -0.01 -1.82 -0.29 0.00 0.71 0.00 0.00 54.79 53.37 3uag n ASP 213 Cb 0.19 -0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 41.04 3uag n ASP 213 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3uag s ASP 214 N -1.72 3.75 0.50 -2.24 -1.08 -0.49 -5.00 116.67 110.39 3uag s ASP 214 Ca 0.34 -1.60 0.16 0.00 -0.52 0.00 0.00 52.55 50.94 3uag s ASP 214 Cb 0.20 -0.64 1.22 0.00 -1.46 0.00 0.00 42.92 42.24 3uag s ASP 214 CO 0.30 -0.41 2.10 0.00 0.52 0.00 0.00 175.17 177.68 3uag h ALA 215 N 8.06 2.06 0.00 3.66 0.00 -1.84 -1.35 119.26 129.85 3uag h ALA 215 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3uag h ALA 215 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3uag h ALA 215 CO 0.45 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.87 3uag n LEU 216 N -4.49 0.38 0.00 0.00 4.77 -1.26 -1.94 117.00 114.46 3uag n LEU 216 Ca 0.01 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.73 3uag n LEU 216 Cb 0.21 -0.56 0.60 0.00 -2.33 0.00 0.00 43.42 41.34 3uag n LEU 216 CO 0.35 -0.46 0.94 0.35 -1.33 0.00 0.00 177.39 177.23 3uag n THR 217 N -1.93 0.01 -3.36 -5.08 -2.24 -0.51 -4.87 114.28 96.30 3uag n THR 217 Ca 0.02 -0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.42 3uag n THR 217 Cb 0.19 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 3uag n THR 217 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3uag s MET 218 N -3.00 4.21 0.71 -0.78 -1.94 -0.82 -4.69 119.30 112.99 3uag s MET 218 Ca 0.14 0.47 -0.03 0.00 -1.71 0.00 0.00 55.69 54.55 3uag s MET 218 Cb 0.19 -3.36 0.10 0.00 2.01 0.00 0.00 34.83 33.78 3uag s MET 218 CO 0.54 0.36 0.99 -1.25 -0.01 0.00 0.00 175.02 175.65 3uag s PRO 219 N -0.04 1.84 -0.32 2.03 0.04 -1.26 -5.09 135.00 132.20 3uag s PRO 219 Ca 0.26 -0.77 -0.01 0.00 0.04 0.00 0.00 61.00 60.51 3uag s PRO 219 Cb -0.16 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.17 3uag s PRO 219 CO 0.12 -1.37 0.03 0.42 0.04 0.00 0.00 177.00 176.24 3uag s ILE 220 N -3.18 2.95 1.07 0.56 1.09 -1.26 -5.08 121.20 117.35 3uag s ILE 220 Ca 0.64 -1.58 -0.15 0.00 -1.10 0.00 0.00 60.65 58.46 3uag s ILE 220 Cb -0.07 -2.79 0.18 0.00 -1.06 0.00 0.00 42.46 38.72 3uag s ILE 220 CO 0.44 -0.24 0.34 1.21 -0.10 0.00 0.00 174.94 176.59 3uag n GLU 225 N 4.58 -2.46 -1.28 2.79 0.00 -1.26 -5.13 120.64 117.89 3uag n GLU 225 Ca -0.10 -0.72 -0.32 0.00 0.00 0.00 0.00 57.16 56.01 3uag n GLU 225 Cb 0.43 -1.54 0.10 0.00 0.00 0.00 0.00 31.44 30.43 3uag n GLU 225 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3uag s ARG 226 N -3.62 2.05 0.52 5.31 1.81 -1.26 -4.99 118.95 118.77 3uag s ARG 226 Ca 0.42 1.45 -0.19 0.00 -1.72 0.00 0.00 55.73 55.69 3uag s ARG 226 Cb -0.07 -1.85 -0.07 0.00 -0.45 0.00 0.00 34.95 32.51 3uag s ARG 226 CO 0.40 -1.84 1.05 0.00 -0.68 0.00 0.00 175.30 174.22 3uag s VAL 228 N -2.14 3.31 0.12 0.00 1.01 0.08 -4.88 120.40 117.91 3uag s VAL 228 Ca 0.66 0.82 0.06 0.00 0.00 0.00 0.00 61.98 63.52 3uag s VAL 228 Cb -0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3uag s VAL 228 CO 0.26 -0.18 -0.15 -0.94 0.00 0.00 0.00 175.10 174.09 3uag s SER 229 N -1.82 2.10 0.11 3.32 1.04 -1.26 -0.39 113.70 116.81 3uag s SER 229 Ca 0.71 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 56.44 3uag s SER 229 Cb -0.22 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 3uag s SER 229 CO 0.25 -0.10 -0.16 0.72 0.98 0.00 0.00 173.24 174.94 3uag s PHE 230 N -1.88 1.50 0.10 5.02 -0.71 -0.22 -1.17 117.98 120.62 3uag s PHE 230 Ca 0.08 -0.50 -0.14 0.00 -1.04 0.00 0.00 56.93 55.33 3uag s PHE 230 Cb -0.06 -0.80 0.05 0.00 -1.21 0.00 0.00 43.02 41.00 3uag s PHE 230 CO 0.04 0.16 0.67 0.41 -1.34 0.00 0.00 175.22 175.16 3uag n GLY 231 N 0.77 0.79 0.05 1.99 0.00 0.15 -0.70 105.19 108.24 3uag n GLY 231 Ca -0.17 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 3uag n GLY 231 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3uag h VAL 232 N 1.62 0.00 -0.00 1.61 2.07 -1.94 -3.21 116.25 116.40 3uag h VAL 232 Ca -0.17 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3uag h VAL 232 Cb 0.75 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3uag h VAL 232 CO 0.22 0.00 -0.83 0.59 0.02 0.00 0.00 177.57 177.57 3uag n ASN 233 N -4.29 1.07 -3.97 0.57 3.02 -1.26 -0.69 115.26 109.71 3uag n ASN 233 Ca -0.02 -1.03 -0.09 0.00 -0.03 0.00 0.00 54.58 53.40 3uag n ASN 233 Cb 0.08 0.92 -0.08 0.00 -0.61 0.00 0.00 39.78 40.09 3uag n ASN 233 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3uag s MET 234 N -2.73 0.94 0.00 3.52 0.23 -1.26 -4.95 119.30 115.05 3uag s MET 234 Ca 0.09 -1.15 0.00 0.00 -1.03 0.00 0.00 55.69 53.59 3uag s MET 234 Cb 0.15 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.77 3uag s MET 234 CO 0.75 -0.30 0.00 0.41 -2.03 0.00 0.00 175.02 173.84 3uag n GLY 235 N -0.10 3.69 0.33 3.16 0.00 -1.26 -2.30 105.19 108.71 3uag n GLY 235 Ca -0.10 -1.78 0.03 0.00 0.00 0.00 0.00 46.02 44.17 3uag n GLY 235 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3uag h ASP 236 N 0.00 0.61 -3.30 1.61 3.32 -1.50 -3.39 116.42 113.77 3uag h ASP 236 Ca 0.00 -0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.38 3uag h ASP 236 Cb 0.00 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 39.11 3uag h ASP 236 CO 0.00 0.44 -0.77 -0.31 -1.72 0.00 0.00 179.24 176.87 3uag s TYR 237 N -5.62 2.85 0.35 4.55 1.51 -0.40 0.40 117.35 120.99 3uag s TYR 237 Ca -0.09 -0.97 -0.09 0.00 -1.01 0.00 0.00 57.07 54.90 3uag s TYR 237 Cb 0.18 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3uag s TYR 237 CO 0.75 -0.47 0.60 -3.38 -1.11 0.00 0.00 175.55 171.94 3uag s HIS 238 N 0.97 0.58 0.03 2.71 -3.43 -0.73 -0.68 115.29 114.75 3uag s HIS 238 Ca -0.02 -1.00 -0.01 0.00 -0.80 0.00 0.00 55.06 53.23 3uag s HIS 238 Cb -0.15 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 31.28 3uag s HIS 238 CO -0.01 -1.29 0.18 -0.51 -2.00 0.00 0.00 174.74 171.11 3uag s LEU 239 N -3.14 4.30 -0.14 5.38 1.43 0.14 -0.63 118.68 126.01 3uag s LEU 239 Ca 0.23 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3uag s LEU 239 Cb -0.02 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.46 3uag s LEU 239 CO 0.15 0.21 -0.07 0.21 0.23 0.00 0.00 176.35 177.08 3uag s ASN 240 N -2.26 2.58 0.00 2.29 3.04 0.73 -4.71 114.94 116.62 3uag s ASN 240 Ca 0.31 -0.51 0.00 0.00 0.04 0.00 0.00 52.86 52.71 3uag s ASN 240 Cb -0.13 -0.93 0.00 0.00 -1.54 0.00 0.00 41.25 38.65 3uag s ASN 240 CO 0.24 -0.14 0.00 1.41 -3.04 0.00 0.00 177.10 175.56 3uag n HIS 241 N 4.88 0.00 0.00 0.43 8.25 -1.26 0.14 115.22 127.66 3uag n HIS 241 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3uag n HIS 241 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3uag n HIS 241 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3uag n GLU 245 N 0.00 0.00 -4.76 -0.41 2.13 -1.26 -4.99 120.64 111.35 3uag n GLU 245 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 3uag n GLU 245 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 3uag n GLU 245 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3uag s THR 246 N 0.00 1.30 0.01 6.31 2.01 -1.26 -5.08 115.64 118.93 3uag s THR 246 Ca 0.00 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.35 3uag s THR 246 Cb 0.00 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3uag s THR 246 CO 0.00 0.35 -0.25 0.26 -0.69 0.00 0.00 174.62 174.30 3uag s TRP 247 N -0.41 2.19 0.04 4.92 0.52 0.12 -0.68 118.94 125.64 3uag s TRP 247 Ca 0.06 -0.41 -0.30 0.00 0.02 0.00 0.00 56.10 55.47 3uag s TRP 247 Cb -0.06 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 3uag s TRP 247 CO -0.01 0.03 1.01 -0.51 0.02 0.00 0.00 176.95 177.49 3uag s LEU 248 N -0.85 4.40 0.12 2.99 1.43 0.12 -0.19 118.68 126.71 3uag s LEU 248 Ca 0.10 1.75 0.07 0.00 -1.03 0.00 0.00 54.13 55.02 3uag s LEU 248 Cb -0.10 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 3uag s LEU 248 CO 0.00 -0.25 -0.15 -0.13 0.23 0.00 0.00 176.35 176.05 3uag s ARG 249 N 0.75 1.07 -0.22 1.70 0.52 0.20 -0.93 118.95 122.03 3uag s ARG 249 Ca 0.52 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3uag s ARG 249 Cb -0.23 -1.03 0.06 0.00 0.52 0.00 0.00 34.95 34.27 3uag s ARG 249 CO 0.29 0.21 -0.05 0.08 0.02 0.00 0.00 175.30 175.85 3uag s VAL 250 N -1.97 1.37 -1.39 3.52 1.01 -0.35 -1.77 120.40 120.81 3uag s VAL 250 Ca 0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 3uag s VAL 250 Cb -0.06 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.69 3uag s VAL 250 CO 0.04 -0.07 0.55 0.29 0.00 0.00 0.00 175.10 175.90 3uag n LYS 251 N 4.74 -3.92 0.00 2.72 5.02 0.16 -1.45 118.16 125.44 3uag n LYS 251 Ca -0.12 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3uag n LYS 251 Cb 0.45 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 3uag n LYS 251 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3uag n GLY 252 N -1.81 2.07 3.70 0.72 0.00 -1.26 -5.01 105.19 103.59 3uag n GLY 252 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3uag n GLY 252 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3uag s GLU 253 N -0.47 4.23 0.21 1.61 2.12 -0.53 -5.04 118.70 120.83 3uag s GLU 253 Ca 0.00 0.17 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 3uag s GLU 253 Cb 0.00 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 3uag s GLU 253 CO 0.00 0.10 1.42 0.15 -0.54 0.00 0.00 175.26 176.40 3uag s LYS 254 N 0.87 4.29 0.00 4.30 1.02 -1.26 -1.22 119.74 127.74 3uag s LYS 254 Ca 0.18 2.23 0.00 0.00 0.02 0.00 0.00 55.97 58.40 3uag s LYS 254 Cb -0.14 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3uag s LYS 254 CO 0.06 -0.41 0.00 1.33 -0.92 0.00 0.00 175.35 175.42 3uag n VAL 255 N 2.77 0.00 -3.63 3.17 0.24 -0.11 -4.91 118.33 115.86 3uag n VAL 255 Ca 0.08 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.33 3uag n VAL 255 Cb 0.41 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.19 3uag n VAL 255 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3uag s LEU 256 N -2.79 -0.76 -0.20 1.34 2.96 -1.10 -5.00 118.68 113.13 3uag s LEU 256 Ca 0.00 1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 54.82 3uag s LEU 256 Cb 0.00 2.08 0.00 0.00 0.50 0.00 0.00 46.19 48.78 3uag s LEU 256 CO 0.00 -0.19 1.03 0.21 -1.32 0.00 0.00 176.35 176.08 3uag s ASN 257 N 1.64 7.13 0.00 3.68 3.84 -1.26 -0.70 114.94 129.27 3uag s ASN 257 Ca -0.09 1.41 0.18 0.00 0.21 0.00 0.00 52.86 54.58 3uag s ASN 257 Cb -0.05 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.14 3uag s ASN 257 CO -0.18 -0.61 1.52 1.33 -2.79 0.00 0.00 177.10 176.37 3uag n VAL 258 N 5.13 0.18 0.31 -5.21 0.24 0.15 -0.76 118.33 118.37 3uag n VAL 258 Ca 0.11 0.05 0.20 0.00 -2.04 0.00 0.00 64.34 62.66 3uag n VAL 258 Cb 0.47 -0.75 0.96 0.00 -1.47 0.00 0.00 33.84 33.04 3uag n VAL 258 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3uag h LYS 259 N 0.00 0.00 0.00 7.34 2.10 -1.92 -0.20 116.57 123.90 3uag h LYS 259 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3uag h LYS 259 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3uag h LYS 259 CO 0.00 0.00 -0.02 0.39 -2.00 0.00 0.00 179.45 177.82 3uag n GLU 260 N -3.03 0.19 -2.78 0.07 -0.58 0.06 -4.84 120.64 109.74 3uag n GLU 260 Ca -0.01 0.15 -0.30 0.00 -0.42 0.00 0.00 57.16 56.58 3uag n GLU 260 Cb 0.17 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 3uag n GLU 260 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3uag s MET 261 N -3.07 3.75 0.14 3.49 -1.94 -0.09 -4.41 119.30 117.16 3uag s MET 261 Ca 0.11 0.46 0.21 0.00 -1.71 0.00 0.00 55.69 54.76 3uag s MET 261 Cb 0.14 -2.37 -0.07 0.00 2.01 0.00 0.00 34.83 34.54 3uag s MET 261 CO 0.58 -0.08 0.91 1.63 -0.01 0.00 0.00 175.02 178.05 3uag n LYS 262 N -1.48 0.62 -2.85 2.03 4.76 -1.26 -4.88 118.16 115.10 3uag n LYS 262 Ca 0.02 0.12 -0.30 0.00 -2.87 0.00 0.00 58.31 55.28 3uag n LYS 262 Cb 0.54 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 3uag n LYS 262 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3uag s LEU 263 N -5.39 3.82 0.00 -0.35 1.43 -1.26 -4.95 118.68 111.99 3uag s LEU 263 Ca -0.02 1.13 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 3uag s LEU 263 Cb 0.10 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 3uag s LEU 263 CO 0.81 -0.40 0.16 -1.54 0.23 0.00 0.00 176.35 175.61 3uag n SER 264 N -1.32 -0.22 0.00 2.29 3.41 -1.26 -4.97 113.62 111.55 3uag n SER 264 Ca 0.02 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 3uag n SER 264 Cb 0.54 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 3uag n SER 264 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3uag n GLY 265 N -0.29 -0.08 0.37 5.00 0.00 -1.26 -4.38 105.19 104.56 3uag n GLY 265 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3uag n GLY 265 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3uag h GLN 266 N 0.00 1.18 0.00 1.61 4.15 -1.99 -0.76 115.11 119.30 3uag h GLN 266 Ca 0.00 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 3uag h GLN 266 Cb 0.00 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 3uag h GLN 266 CO 0.00 0.78 -0.22 1.12 -1.93 0.00 0.00 178.83 178.58 3uag h HIS 267 N 1.21 0.00 0.00 3.99 2.07 -1.97 -0.83 115.15 119.63 3uag h HIS 267 Ca 0.37 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.79 3uag h HIS 267 Cb -0.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.94 3uag h HIS 267 CO -0.00 0.22 -0.51 -0.91 -3.07 0.00 0.00 177.93 173.66 3uag h ASN 268 N 0.00 0.00 -0.25 3.10 2.35 -1.36 0.12 115.58 119.54 3uag h ASN 268 Ca -0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 3uag h ASN 268 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3uag h ASN 268 CO 0.03 0.47 -0.45 1.88 -1.65 0.00 0.00 177.43 177.71 3uag h TYR 269 N 0.00 0.93 0.00 1.19 0.05 -0.72 -0.94 116.97 117.47 3uag h TYR 269 Ca -0.01 -0.33 -0.08 0.00 0.05 0.00 0.00 58.73 58.36 3uag h TYR 269 Cb 1.36 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 3uag h TYR 269 CO 0.00 1.12 -0.38 1.79 -1.05 0.00 0.00 178.16 179.64 3uag h THR 270 N 0.47 0.89 -0.77 -2.88 1.35 -1.15 -1.44 112.91 109.38 3uag h THR 270 Ca 0.01 -1.55 -0.05 0.00 -0.55 0.00 0.00 66.41 64.28 3uag h THR 270 Cb 1.05 1.95 -0.03 0.00 -1.73 0.00 0.00 68.15 69.38 3uag h THR 270 CO 0.10 0.37 0.29 0.78 -0.25 0.00 0.00 175.52 176.81 3uag h ASN 271 N 0.00 1.09 -0.74 5.36 2.35 -0.76 -0.70 115.58 122.17 3uag h ASN 271 Ca -0.00 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.51 3uag h ASN 271 Cb 0.91 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 3uag h ASN 271 CO 0.05 0.98 0.26 0.00 -1.65 0.00 0.00 177.43 177.07 3uag h ALA 272 N 1.15 0.97 -0.39 -0.83 0.00 -0.67 -0.65 119.26 118.84 3uag h ALA 272 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3uag h ALA 272 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3uag h ALA 272 CO -0.02 0.63 0.21 -0.07 0.00 0.00 0.00 179.25 180.00 3uag h LEU 273 N 1.09 0.50 -0.74 0.00 3.38 -0.82 0.02 115.31 118.74 3uag h LEU 273 Ca 0.24 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3uag h LEU 273 Cb 0.26 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3uag h LEU 273 CO -0.01 0.45 0.26 0.00 0.09 0.00 0.00 178.44 179.23 3uag h ALA 274 N 1.06 0.96 -0.53 1.53 0.00 -0.90 0.10 119.26 121.49 3uag h ALA 274 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3uag h ALA 274 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3uag h ALA 274 CO -0.02 0.61 0.03 0.00 0.00 0.00 0.00 179.25 179.87 3uag h ALA 275 N 1.13 0.71 -0.49 0.00 0.00 -0.89 -1.00 119.26 118.72 3uag h ALA 275 Ca 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3uag h ALA 275 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3uag h ALA 275 CO -0.01 0.50 0.10 1.25 0.00 0.00 0.00 179.25 181.09 3uag h LEU 276 N 0.79 0.75 -0.60 0.00 5.85 -0.64 0.26 115.31 121.72 3uag h LEU 276 Ca 0.15 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3uag h LEU 276 Cb 0.48 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3uag h LEU 276 CO 0.02 0.80 0.32 0.00 -0.34 0.00 0.00 178.44 179.24 3uag h ALA 277 N 0.98 0.79 -0.46 1.25 0.00 -0.72 0.95 119.26 122.06 3uag h ALA 277 Ca 0.15 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3uag h ALA 277 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3uag h ALA 277 CO 0.00 -0.02 -0.05 -0.07 0.00 0.00 0.00 179.25 179.12 3uag h LEU 278 N 0.60 0.83 -0.43 0.00 3.38 -0.81 -1.53 115.31 117.36 3uag h LEU 278 Ca 0.27 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3uag h LEU 278 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3uag h LEU 278 CO -0.18 0.97 0.15 0.00 0.09 0.00 0.00 178.44 179.48 3uag h ALA 279 N 0.89 0.56 -0.57 1.53 0.00 -0.64 -0.67 119.26 120.36 3uag h ALA 279 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3uag h ALA 279 Cb 0.57 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3uag h ALA 279 CO 0.03 0.19 0.31 -0.44 0.00 0.00 0.00 179.25 179.34 3uag h ASP 280 N 0.56 0.46 0.34 0.00 3.32 -0.75 -0.54 116.42 119.80 3uag h ASP 280 Ca 0.14 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3uag h ASP 280 Cb 0.23 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3uag h ASP 280 CO -0.01 0.31 -0.38 0.00 -1.72 0.00 0.00 179.24 177.44 3uag h ALA 281 N 1.30 1.31 -0.00 3.45 0.00 -0.80 -0.66 119.26 123.86 3uag h ALA 281 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3uag h ALA 281 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3uag h ALA 281 CO -0.16 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 3uag n ALA 282 N -2.47 2.56 -0.54 0.00 0.00 -0.30 -4.87 120.51 114.89 3uag n ALA 282 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3uag n ALA 282 Cb 0.43 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3uag n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3uag n GLY 283 N 1.22 0.71 3.76 0.00 0.00 -0.25 -5.05 105.19 105.59 3uag n GLY 283 Ca 0.17 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3uag n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3uag s LEU 284 N 0.00 4.49 0.24 0.99 1.43 -0.25 -4.95 118.68 120.63 3uag s LEU 284 Ca 0.00 2.27 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 3uag s LEU 284 Cb 0.00 -3.70 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 3uag s LEU 284 CO 0.00 -0.22 1.47 -2.84 0.23 0.00 0.00 176.35 174.99 3uag s PRO 285 N -1.60 4.25 0.35 1.29 0.02 -1.26 -4.52 135.00 133.52 3uag s PRO 285 Ca 0.46 2.33 0.10 0.00 0.02 0.00 0.00 61.00 63.91 3uag s PRO 285 Cb -0.31 -3.11 0.64 0.00 0.02 0.00 0.00 34.50 31.74 3uag s PRO 285 CO 0.40 -0.46 1.80 -0.09 -0.33 0.00 0.00 177.00 178.32 3uag h ARG 286 N 5.31 0.13 0.06 5.54 2.43 -1.95 -2.53 114.38 123.37 3uag h ARG 286 Ca -0.45 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3uag h ARG 286 Cb 1.22 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 3uag h ARG 286 CO 0.80 0.45 -0.14 0.00 -1.51 0.00 0.00 179.97 179.57 3uag h ALA 287 N 1.55 -0.22 0.00 2.80 0.00 -2.00 0.60 119.26 121.99 3uag h ALA 287 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3uag h ALA 287 Cb 0.65 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3uag h ALA 287 CO 0.05 -0.66 -0.37 0.66 0.00 0.00 0.00 179.25 178.94 3uag h SER 288 N -0.27 0.00 -0.57 0.00 4.64 -1.89 -1.91 113.55 113.55 3uag h SER 288 Ca 0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 3uag h SER 288 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3uag h SER 288 CO -0.09 0.37 -0.01 0.28 -0.87 0.00 0.00 176.83 176.50 3uag h SER 289 N 0.00 0.99 -0.35 4.97 0.02 -0.91 -1.94 113.55 116.33 3uag h SER 289 Ca -0.00 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 3uag h SER 289 Cb 0.71 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3uag h SER 289 CO 0.05 1.06 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.58 3uag h LEU 290 N 0.89 0.80 -0.21 5.07 3.38 -0.70 -2.72 115.31 121.82 3uag h LEU 290 Ca 0.16 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3uag h LEU 290 Cb 0.56 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3uag h LEU 290 CO 0.03 0.96 -0.06 0.11 0.09 0.00 0.00 178.44 179.56 3uag h LYS 291 N 0.72 -0.02 -0.61 1.13 1.57 -1.03 -2.46 116.57 115.88 3uag h LYS 291 Ca 0.11 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3uag h LYS 291 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 3uag h LYS 291 CO 0.05 -0.01 0.40 0.00 -0.57 0.00 0.00 179.45 179.32 3uag h ALA 292 N 1.19 1.68 0.00 3.86 0.00 -1.15 0.36 119.26 125.20 3uag h ALA 292 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3uag h ALA 292 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3uag h ALA 292 CO -0.23 0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 179.17 3uag h LEU 293 N 0.71 0.00 0.00 0.00 3.38 -1.14 -1.02 115.31 117.24 3uag h LEU 293 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3uag h LEU 293 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3uag h LEU 293 CO -0.07 0.03 -0.44 0.71 0.09 0.00 0.00 178.44 178.76 3uag h THR 294 N 0.00 0.00 0.00 0.22 1.35 -0.76 -3.36 112.91 110.36 3uag h THR 294 Ca -0.00 -0.84 -0.26 0.00 -0.55 0.00 0.00 66.41 64.76 3uag h THR 294 Cb 0.06 1.60 -0.05 0.00 -1.73 0.00 0.00 68.15 68.03 3uag h THR 294 CO 0.00 0.00 -2.12 0.35 -0.25 0.00 0.00 175.52 173.50 3uag n THR 295 N -2.68 1.11 -1.90 6.82 -2.24 -0.50 -4.41 114.28 110.48 3uag n THR 295 Ca 0.03 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 3uag n THR 295 Cb 0.51 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 3uag n THR 295 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3uag s PHE 296 N -2.76 2.11 -0.53 4.78 5.36 -0.52 -4.91 117.98 121.52 3uag s PHE 296 Ca -0.08 0.14 0.22 0.00 -0.96 0.00 0.00 56.93 56.25 3uag s PHE 296 Cb 0.08 -4.01 -0.13 0.00 -0.34 0.00 0.00 43.02 38.62 3uag s PHE 296 CO 0.84 -4.19 0.84 0.25 -1.46 0.00 0.00 175.22 171.51 3uag n THR 297 N 5.05 0.09 0.00 0.12 -2.24 -1.26 -4.15 114.28 111.89 3uag n THR 297 Ca 0.17 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3uag n THR 297 Cb 0.41 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3uag n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3uag n GLY 298 N 1.36 2.82 3.85 3.38 0.00 -1.26 -4.68 105.19 110.67 3uag n GLY 298 Ca 0.01 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 3uag n GLY 298 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3uag s LEU 299 N 0.00 4.24 0.46 0.99 1.43 -1.26 -5.05 118.68 119.48 3uag s LEU 299 Ca 0.00 1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.95 3uag s LEU 299 Cb 0.00 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 3uag s LEU 299 CO 0.00 -0.01 1.07 -0.81 0.23 0.00 0.00 176.35 176.83 3uag n PRO 300 N 0.29 1.42 -0.61 1.29 -0.04 -1.26 -2.29 135.00 133.79 3uag n PRO 300 Ca -0.02 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 3uag n PRO 300 Cb 0.52 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 3uag n PRO 300 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3uag n HIS 301 N -0.67 0.00 -3.63 0.54 8.25 -1.26 -4.95 115.22 113.51 3uag n HIS 301 Ca 0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.16 3uag n HIS 301 Cb 0.41 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.27 3uag n HIS 301 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3uag s ARG 302 N -0.07 2.40 -0.56 -0.41 3.00 -0.97 -1.28 118.95 121.05 3uag s ARG 302 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 55.73 53.94 3uag s ARG 302 Cb 0.00 -3.79 0.01 0.00 0.00 0.00 0.00 34.95 31.18 3uag s ARG 302 CO 0.00 -1.09 0.35 0.34 0.00 0.00 0.00 175.30 174.90 3uag n PHE 303 N 4.83 -0.91 -3.75 -0.53 7.35 -1.20 -4.69 117.46 118.56 3uag n PHE 303 Ca -0.07 0.22 -0.37 0.00 -0.76 0.00 0.00 57.45 56.47 3uag n PHE 303 Cb 0.41 -1.49 -0.13 0.00 0.35 0.00 0.00 39.48 38.63 3uag n PHE 303 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3uag s GLU 304 N -5.09 3.41 -0.19 -4.13 2.12 -0.27 -4.91 118.70 109.65 3uag s GLU 304 Ca 0.14 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 3uag s GLU 304 Cb -0.08 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3uag s GLU 304 CO 0.51 -0.30 1.49 0.08 -0.54 0.00 0.00 175.26 176.50 3uag s VAL 305 N 1.57 3.88 -0.48 3.70 1.01 -1.26 -0.23 120.40 128.60 3uag s VAL 305 Ca 0.05 1.03 0.19 0.00 0.00 0.00 0.00 61.98 63.25 3uag s VAL 305 Cb -0.16 -3.81 -0.26 0.00 0.00 0.00 0.00 36.38 32.16 3uag s VAL 305 CO 0.03 -0.25 0.63 1.33 0.00 0.00 0.00 175.10 176.84 3uag n VAL 306 N 5.98 0.00 -3.65 2.92 0.24 -0.16 -4.93 118.33 118.73 3uag n VAL 306 Ca 0.17 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 3uag n VAL 306 Cb 0.45 0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 3uag n VAL 306 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3uag s LEU 307 N -3.61 -0.68 -0.30 1.34 2.96 -1.15 -4.96 118.68 112.28 3uag s LEU 307 Ca 0.00 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 3uag s LEU 307 Cb 0.14 2.16 0.09 0.00 0.50 0.00 0.00 46.19 49.08 3uag s LEU 307 CO 0.80 -0.23 0.05 -0.70 -1.32 0.00 0.00 176.35 174.95 3uag s GLU 308 N 1.26 1.13 -0.07 1.98 2.12 -1.26 -0.51 118.70 123.36 3uag s GLU 308 Ca -0.07 -1.25 -0.06 0.00 0.36 0.00 0.00 54.97 53.94 3uag s GLU 308 Cb -0.05 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.87 3uag s GLU 308 CO -0.13 -0.87 0.18 -1.58 -0.54 0.00 0.00 175.26 172.32 3uag s HIS 309 N 1.37 -0.19 -1.50 5.30 2.46 -0.12 -4.88 115.29 117.73 3uag s HIS 309 Ca 0.06 0.47 -0.03 0.00 0.47 0.00 0.00 55.06 56.03 3uag s HIS 309 Cb -0.18 0.07 0.01 0.00 -0.13 0.00 0.00 32.58 32.35 3uag s HIS 309 CO -0.15 -0.10 0.26 0.09 -2.47 0.00 0.00 174.74 172.37 3uag n ASN 310 N 2.97 -5.30 0.00 9.88 3.02 -1.26 -1.36 115.26 123.21 3uag n ASN 310 Ca -0.13 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 3uag n ASN 310 Cb 0.59 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 3uag n ASN 310 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3uag n GLY 311 N -1.15 0.47 3.19 7.41 0.00 -1.26 -4.25 105.19 109.60 3uag n GLY 311 Ca -0.16 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 3uag n GLY 311 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3uag s VAL 312 N -2.00 1.87 -0.23 1.61 1.01 -0.47 0.26 120.40 122.45 3uag s VAL 312 Ca 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3uag s VAL 312 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3uag s VAL 312 CO 0.00 0.52 0.20 -0.13 0.00 0.00 0.00 175.10 175.69 3uag s ARG 313 N 0.28 4.09 -0.26 2.72 0.52 -1.19 -0.95 118.95 124.17 3uag s ARG 313 Ca -0.15 -0.19 -0.08 0.00 -0.52 0.00 0.00 55.73 54.79 3uag s ARG 313 Cb -0.16 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 3uag s ARG 313 CO 0.07 0.06 0.09 -1.58 0.02 0.00 0.00 175.30 173.95 3uag s TRP 314 N 1.07 3.11 -0.20 -0.53 0.52 0.33 -1.29 118.94 121.94 3uag s TRP 314 Ca 0.09 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.83 3uag s TRP 314 Cb -0.14 -2.26 0.03 0.00 -1.15 0.00 0.00 33.47 29.95 3uag s TRP 314 CO 0.05 -0.35 -0.17 0.42 0.02 0.00 0.00 176.95 176.92 3uag s ILE 315 N 1.63 2.20 -0.68 2.03 1.01 0.47 -0.99 121.20 126.87 3uag s ILE 315 Ca 0.06 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 3uag s ILE 315 Cb -0.15 -2.01 0.08 0.00 0.01 0.00 0.00 42.46 40.38 3uag s ILE 315 CO 0.05 0.40 0.97 0.21 0.00 0.00 0.00 174.94 176.57 3uag s ASN 316 N 1.26 6.21 -0.48 3.58 2.47 0.68 -1.06 114.94 127.61 3uag s ASN 316 Ca 0.02 -1.08 0.04 0.00 0.42 0.00 0.00 52.86 52.26 3uag s ASN 316 Cb -0.15 -2.42 0.43 0.00 -1.45 0.00 0.00 41.25 37.67 3uag s ASN 316 CO -0.10 -1.41 1.40 -0.67 -3.72 0.00 0.00 177.10 172.60 3uag n ASP 317 N 7.60 5.62 0.02 -4.21 2.03 0.83 -1.11 116.55 127.33 3uag n ASP 317 Ca -0.02 -3.76 0.20 0.00 0.52 0.00 0.00 54.79 51.73 3uag n ASP 317 Cb 0.46 -0.58 0.70 0.00 -0.72 0.00 0.00 41.12 40.98 3uag n ASP 317 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 3uag h SER 318 N 2.42 0.00 -0.03 1.67 0.87 -1.51 0.15 113.55 117.12 3uag h SER 318 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3uag h SER 318 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3uag h SER 318 CO 1.01 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 178.48 3uag n LYS 319 N -4.32 1.09 -2.59 2.24 0.00 -0.41 -4.49 118.16 109.69 3uag n LYS 319 Ca 0.09 -0.14 -0.41 0.00 0.00 0.00 0.00 58.31 57.85 3uag n LYS 319 Cb 0.58 -1.24 -0.03 0.00 0.00 0.00 0.00 35.03 34.34 3uag n LYS 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3uag s ALA 320 N -1.97 2.79 -0.21 3.14 0.00 0.04 -4.81 121.76 120.74 3uag s ALA 320 Ca 0.23 -1.65 0.14 0.00 0.00 0.00 0.00 51.96 50.68 3uag s ALA 320 Cb 0.11 -4.28 0.31 0.00 0.00 0.00 0.00 23.12 19.25 3uag s ALA 320 CO 0.18 -3.31 1.21 0.25 0.00 0.00 0.00 175.76 174.09 3uag n THR 321 N 6.44 1.75 -3.95 0.00 -2.24 -1.26 -1.24 114.28 113.77 3uag n THR 321 Ca 0.10 -1.79 -0.11 0.00 -2.27 0.00 0.00 64.05 59.98 3uag n THR 321 Cb 0.49 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 3uag n THR 321 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3uag s ASN 322 N -2.06 0.29 0.21 3.42 2.20 -1.19 -3.40 114.94 114.42 3uag s ASN 322 Ca 0.28 -1.18 -0.07 0.00 -0.94 0.00 0.00 52.86 50.95 3uag s ASN 322 Cb 0.23 0.72 0.17 0.00 -2.00 0.00 0.00 41.25 40.37 3uag s ASN 322 CO 0.06 -1.42 1.72 0.58 -2.94 0.00 0.00 177.10 175.10 3uag h VAL 323 N 2.09 1.26 -0.73 3.54 2.07 -1.80 -3.05 116.25 119.62 3uag h VAL 323 Ca -0.28 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3uag h VAL 323 Cb 1.25 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3uag h VAL 323 CO 0.37 0.37 0.47 1.23 0.02 0.00 0.00 177.57 180.04 3uag h GLY 324 N 1.05 1.03 1.27 2.17 0.00 -1.95 0.12 103.07 106.77 3uag h GLY 324 Ca 0.20 -0.40 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 3uag h GLY 324 CO 0.01 0.39 -0.68 1.48 0.00 0.00 0.00 176.54 177.73 3uag h SER 325 N 0.99 0.85 0.03 0.19 4.64 -1.94 -1.19 113.55 117.12 3uag h SER 325 Ca 0.27 -0.52 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 3uag h SER 325 Cb -0.09 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.74 3uag h SER 325 CO -0.06 1.30 -0.38 0.74 -0.87 0.00 0.00 176.83 177.56 3uag h THR 326 N 0.52 1.30 -0.36 2.95 2.02 -1.41 -1.47 112.91 116.46 3uag h THR 326 Ca -0.02 -1.51 0.04 0.00 0.77 0.00 0.00 66.41 65.68 3uag h THR 326 Cb 1.29 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 3uag h THR 326 CO 0.14 0.47 0.15 -0.33 0.37 0.00 0.00 175.52 176.32 3uag h GLU 327 N 0.38 0.31 -0.38 6.66 5.08 -0.65 -1.03 114.58 124.95 3uag h GLU 327 Ca 0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3uag h GLU 327 Cb 0.84 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3uag h GLU 327 CO 0.07 0.20 0.22 0.00 -1.00 0.00 0.00 179.01 178.50 3uag h ALA 328 N 1.21 1.68 -0.48 3.43 0.00 -0.79 0.11 119.26 124.42 3uag h ALA 328 Ca 0.16 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3uag h ALA 328 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3uag h ALA 328 CO -0.14 0.28 -0.22 0.00 0.00 0.00 0.00 179.25 179.17 3uag h ALA 329 N 1.73 0.68 0.05 0.00 0.00 -0.53 -3.34 119.26 117.84 3uag h ALA 329 Ca 0.14 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 3uag h ALA 329 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3uag h ALA 329 CO -0.03 0.67 -1.44 -0.07 0.00 0.00 0.00 179.25 178.38 3uag h LEU 330 N 0.85 0.18 -8.87 0.00 3.38 -0.78 -3.40 115.31 106.68 3uag h LEU 330 Ca 0.11 -0.26 -0.57 0.00 0.09 0.00 0.00 57.88 57.25 3uag h LEU 330 Cb 0.80 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3uag h LEU 330 CO 0.07 1.22 1.33 0.21 0.09 0.00 0.00 178.44 181.35 3uag s ASN 331 N -6.67 5.76 -0.00 -0.43 2.47 0.33 -1.15 114.94 115.24 3uag s ASN 331 Ca -0.05 1.37 0.00 0.00 0.42 0.00 0.00 52.86 54.60 3uag s ASN 331 Cb 0.08 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 3uag s ASN 331 CO 0.83 -1.81 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 3uag n GLY 332 N 5.51 0.49 3.74 1.21 0.00 -1.26 -4.97 105.19 109.90 3uag n GLY 332 Ca 0.24 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3uag n GLY 332 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3uag s LEU 333 N -0.00 4.38 -0.27 0.99 2.96 -0.30 -4.99 118.68 121.44 3uag s LEU 333 Ca 0.00 2.68 -0.11 0.00 -0.22 0.00 0.00 54.13 56.48 3uag s LEU 333 Cb 0.00 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 3uag s LEU 333 CO 0.00 -0.77 0.18 -2.28 -1.32 0.00 0.00 176.35 172.16 3uag s HIS 334 N 0.38 3.23 -0.06 5.38 5.65 -1.26 -5.06 115.29 123.55 3uag s HIS 334 Ca 0.63 0.10 0.01 0.00 0.25 0.00 0.00 55.06 56.06 3uag s HIS 334 Cb -0.43 -2.35 0.02 0.00 -1.18 0.00 0.00 32.58 28.64 3uag s HIS 334 CO 0.40 -0.13 -0.05 0.08 -0.65 0.00 0.00 174.74 174.38 3uag s VAL 335 N 1.61 0.66 0.20 0.89 1.01 -1.26 -5.04 120.40 118.47 3uag s VAL 335 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3uag s VAL 335 Cb -0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3uag s VAL 335 CO 0.09 0.26 1.53 0.44 0.00 0.00 0.00 175.10 177.42 3uag h ASP 336 N 7.38 0.55 0.00 3.32 3.32 -1.91 -3.45 116.42 125.62 3uag h ASP 336 Ca -0.34 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.42 3uag h ASP 336 Cb 1.15 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3uag h ASP 336 CO 0.44 0.98 0.00 0.61 -1.72 0.00 0.00 179.24 179.55 3uag n GLY 337 N 0.22 0.99 3.82 2.75 0.00 0.14 -4.96 105.19 108.16 3uag n GLY 337 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3uag n GLY 337 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3uag s THR 338 N 3.32 5.30 -0.32 2.61 2.01 -1.26 -4.86 115.64 122.43 3uag s THR 338 Ca 0.00 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 3uag s THR 338 Cb 0.00 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 3uag s THR 338 CO 0.00 0.58 0.68 -0.22 -0.69 0.00 0.00 174.62 174.97 3uag s LEU 339 N -0.71 4.15 -0.51 4.42 2.96 0.10 -1.72 118.68 127.39 3uag s LEU 339 Ca 0.13 0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 54.29 3uag s LEU 339 Cb -0.12 -2.89 0.09 0.00 0.50 0.00 0.00 46.19 43.77 3uag s LEU 339 CO 0.03 -0.56 0.48 -1.00 -1.32 0.00 0.00 176.35 173.98 3uag s HIS 340 N 2.76 3.20 -0.25 5.38 3.76 -0.01 -0.03 115.29 130.10 3uag s HIS 340 Ca 0.27 -0.99 -0.07 0.00 -0.15 0.00 0.00 55.06 54.12 3uag s HIS 340 Cb -0.14 -3.48 -0.03 0.00 1.11 0.00 0.00 32.58 30.03 3uag s HIS 340 CO 0.13 -0.94 0.06 -1.17 -0.85 0.00 0.00 174.74 171.97 3uag s LEU 341 N 1.85 3.41 -0.24 0.89 2.96 0.34 -0.99 118.68 126.89 3uag s LEU 341 Ca 0.06 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.56 3uag s LEU 341 Cb -0.25 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3uag s LEU 341 CO 0.06 -0.04 0.53 -0.76 -1.32 0.00 0.00 176.35 174.83 3uag s LEU 342 N 1.60 4.09 0.03 -0.68 1.43 -0.37 -0.62 118.68 124.17 3uag s LEU 342 Ca 0.06 0.61 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 3uag s LEU 342 Cb -0.15 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 3uag s LEU 342 CO 0.03 -0.26 -0.17 -0.76 0.23 0.00 0.00 176.35 175.42 3uag s LEU 343 N 2.07 2.15 0.00 1.79 1.43 -0.59 -2.90 118.68 122.63 3uag s LEU 343 Ca 0.23 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3uag s LEU 343 Cb -0.16 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.28 3uag s LEU 343 CO 0.09 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.39 3uag n GLY 344 N 1.99 1.60 0.00 -3.19 0.00 -0.67 -1.13 105.19 103.79 3uag n GLY 344 Ca -0.17 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3uag n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3uag n GLY 345 N -1.99 0.23 3.45 -0.02 0.00 -0.60 -4.45 105.19 101.81 3uag n GLY 345 Ca 0.00 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 3uag n GLY 345 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3uag s ASP 346 N -4.00 6.23 0.00 1.61 2.15 -0.57 -0.92 116.67 121.17 3uag s ASP 346 Ca 0.00 -0.88 0.24 0.00 0.43 0.00 0.00 52.55 52.34 3uag s ASP 346 Cb 0.00 -2.31 1.35 0.00 -0.30 0.00 0.00 42.92 41.66 3uag s ASP 346 CO 0.00 -0.96 1.79 0.61 -0.17 0.00 0.00 175.17 176.45 3uag n GLY 347 N 5.17 -0.86 4.09 2.66 0.00 -1.26 -1.20 105.19 113.79 3uag n GLY 347 Ca -0.06 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3uag n GLY 347 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3uag n LYS 348 N -1.10 -4.05 -2.19 1.61 5.02 -1.26 -0.70 118.16 115.49 3uag n LYS 348 Ca 0.16 0.46 -0.18 0.00 -2.02 0.00 0.00 58.31 56.73 3uag n LYS 348 Cb 0.12 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 3uag n LYS 348 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3uag n SER 349 N -2.75 -5.07 -4.79 4.39 7.64 -1.26 -2.51 113.62 109.28 3uag n SER 349 Ca 0.03 0.15 -0.36 0.00 1.01 0.00 0.00 58.87 59.71 3uag n SER 349 Cb 0.52 -4.32 -0.03 0.00 -1.01 0.00 0.00 64.21 59.37 3uag n SER 349 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3uag s ALA 350 N -2.79 2.99 -0.44 -0.43 0.00 0.12 -4.84 121.76 116.37 3uag s ALA 350 Ca 0.00 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 52.42 3uag s ALA 350 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3uag s ALA 350 CO 0.00 -0.30 0.77 0.34 0.00 0.00 0.00 175.76 176.57 3uag s ASP 351 N -1.69 6.41 0.00 0.00 2.15 -1.26 -4.93 116.67 117.35 3uag s ASP 351 Ca 0.62 -0.10 0.31 0.00 0.43 0.00 0.00 52.55 53.80 3uag s ASP 351 Cb -0.21 -2.38 1.59 0.00 -0.30 0.00 0.00 42.92 41.62 3uag s ASP 351 CO 0.25 -0.89 2.07 0.49 -0.17 0.00 0.00 175.17 176.92 3uag n PHE 352 N 6.66 0.00 -0.34 -5.34 3.72 -1.26 -4.35 117.46 116.55 3uag n PHE 352 Ca 0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.56 3uag n PHE 352 Cb 0.48 -0.14 0.33 0.00 -0.94 0.00 0.00 39.48 39.21 3uag n PHE 352 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3uag h SER 353 N 0.24 0.66 0.00 4.37 0.02 -1.95 -1.24 113.55 115.65 3uag h SER 353 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3uag h SER 353 Cb 0.20 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3uag h SER 353 CO 0.00 0.17 0.07 -0.65 -1.14 0.00 0.00 176.83 175.29 3uag h PRO 354 N 0.64 0.00 -0.00 3.45 0.11 -2.01 -1.63 132.00 132.56 3uag h PRO 354 Ca 0.59 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.53 3uag h PRO 354 Cb 1.01 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3uag h PRO 354 CO -0.43 0.00 -0.80 -0.07 -0.21 0.00 0.00 178.00 176.49 3uag h LEU 355 N 0.00 0.03 -1.72 2.35 3.38 -1.57 -3.37 115.31 114.42 3uag h LEU 355 Ca 0.00 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3uag h LEU 355 Cb 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3uag h LEU 355 CO 0.00 0.81 0.38 0.00 0.09 0.00 0.00 178.44 179.72 3uag h ALA 356 N 1.18 2.10 0.00 1.53 0.00 -1.46 -0.41 119.26 122.20 3uag h ALA 356 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3uag h ALA 356 Cb 1.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3uag h ALA 356 CO 0.11 -0.23 0.00 2.89 0.00 0.00 0.00 179.25 182.02 3uag n ARG 357 N -4.46 0.05 0.00 0.00 1.85 -1.26 -0.77 116.66 112.07 3uag n ARG 357 Ca 0.09 0.29 0.12 0.00 -1.00 0.00 0.00 57.85 57.35 3uag n ARG 357 Cb 0.40 -1.59 0.16 0.00 -1.05 0.00 0.00 32.46 30.37 3uag n ARG 357 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3uag n TYR 358 N -1.68 0.00 -1.17 2.89 4.01 -0.17 -4.51 117.16 116.53 3uag n TYR 358 Ca 0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.80 3uag n TYR 358 Cb 0.18 -0.14 0.23 0.00 -0.31 0.00 0.00 39.34 39.30 3uag n TYR 358 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3uag n LEU 359 N -1.22 3.97 -4.89 7.72 4.77 0.05 -4.99 117.00 122.42 3uag n LEU 359 Ca 0.07 -3.31 -0.32 0.00 -0.03 0.00 0.00 56.01 52.41 3uag n LEU 359 Cb 0.35 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 3uag n LEU 359 CO 0.35 0.90 0.05 0.20 -1.33 0.00 0.00 177.39 177.56 3uag s ASN 360 N -2.18 6.54 0.00 -1.43 0.01 -1.25 -4.90 114.94 111.72 3uag s ASN 360 Ca 0.43 0.66 0.00 0.00 -0.71 0.00 0.00 52.86 53.24 3uag s ASN 360 Cb 0.37 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.90 3uag s ASN 360 CO 0.05 0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 3uag n GLY 361 N 0.29 -3.42 0.01 0.66 0.00 -1.26 -4.84 105.19 96.63 3uag n GLY 361 Ca -0.04 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 43.96 3uag n GLY 361 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3uag n ASP 362 N 0.00 0.65 -0.93 1.61 9.92 -1.26 -3.93 116.55 122.61 3uag n ASP 362 Ca 0.00 -0.42 -0.01 0.00 -0.53 0.00 0.00 54.79 53.83 3uag n ASP 362 Cb 0.00 0.54 0.17 0.00 -0.64 0.00 0.00 41.12 41.19 3uag n ASP 362 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3uag n ASN 363 N -1.61 2.46 -3.97 -2.24 6.94 -1.26 -4.96 115.26 110.61 3uag n ASN 363 Ca 0.04 -3.87 -0.27 0.00 -0.02 0.00 0.00 54.58 50.46 3uag n ASN 363 Cb 0.36 -0.49 -0.17 0.00 -2.36 0.00 0.00 39.78 37.12 3uag n ASN 363 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3uag s VAL 364 N -3.55 1.19 -0.03 3.53 1.01 -1.25 0.03 120.40 121.33 3uag s VAL 364 Ca 0.41 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3uag s VAL 364 Cb 0.38 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3uag s VAL 364 CO -0.04 0.39 -0.25 -0.13 0.00 0.00 0.00 175.10 175.07 3uag s ARG 365 N 1.31 2.25 -0.07 2.72 1.81 0.96 -4.88 118.95 123.06 3uag s ARG 365 Ca -0.02 -0.90 0.01 0.00 -1.72 0.00 0.00 55.73 53.11 3uag s ARG 365 Cb -0.14 -2.10 -0.03 0.00 -0.45 0.00 0.00 34.95 32.23 3uag s ARG 365 CO -0.05 0.53 -0.08 -0.51 -0.68 0.00 0.00 175.30 174.51 3uag s LEU 366 N -0.52 3.09 -0.22 2.53 1.43 -0.34 -0.51 118.68 124.15 3uag s LEU 366 Ca 0.07 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3uag s LEU 366 Cb -0.11 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3uag s LEU 366 CO 0.00 0.36 0.01 -0.31 0.23 0.00 0.00 176.35 176.63 3uag s TYR 367 N -0.77 1.62 -0.09 0.29 1.51 0.21 -0.80 117.35 119.33 3uag s TYR 367 Ca 0.12 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 54.91 3uag s TYR 367 Cb -0.11 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3uag s TYR 367 CO 0.01 -0.70 -0.16 0.00 -1.11 0.00 0.00 175.55 173.60 3uag n PHE 369 N 2.97 -1.29 -2.91 0.00 -1.74 -0.28 -1.20 117.46 113.01 3uag n PHE 369 Ca -0.18 -1.66 0.03 0.00 -0.56 0.00 0.00 57.45 55.07 3uag n PHE 369 Cb 0.52 0.44 -0.01 0.00 1.52 0.00 0.00 39.48 41.96 3uag n PHE 369 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3uag n GLY 370 N -0.42 -1.87 0.28 4.97 0.00 -0.59 -1.56 105.19 106.00 3uag n GLY 370 Ca -0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 3uag n GLY 370 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3uag h ARG 371 N 0.00 -0.06 -0.79 1.61 2.43 -1.86 -1.19 114.38 114.53 3uag h ARG 371 Ca 0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.77 3uag h ARG 371 Cb 0.17 0.01 -0.24 0.00 -0.42 0.00 0.00 29.97 29.49 3uag h ARG 371 CO 0.00 -0.04 0.41 -0.25 -1.51 0.00 0.00 179.97 178.59 3uag n ASP 372 N -5.44 3.34 -0.29 -3.80 8.00 -0.10 -4.58 116.55 113.68 3uag n ASP 372 Ca 0.07 -3.67 0.02 0.00 0.71 0.00 0.00 54.79 51.92 3uag n ASP 372 Cb 0.34 -0.77 0.16 0.00 -0.02 0.00 0.00 41.12 40.83 3uag n ASP 372 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3uag h GLY 373 N 1.02 1.25 1.01 0.44 0.00 -1.06 -2.01 103.07 103.71 3uag h GLY 373 Ca 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3uag h GLY 373 CO 0.87 0.14 0.43 0.00 0.00 0.00 0.00 176.54 177.98 3uag h ALA 374 N 1.44 0.96 -0.81 3.60 0.00 -1.82 -1.46 119.26 121.17 3uag h ALA 374 Ca 0.39 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3uag h ALA 374 Cb 0.34 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3uag h ALA 374 CO -0.24 0.45 0.44 0.37 0.00 0.00 0.00 179.25 180.26 3uag h GLN 375 N 1.03 0.68 -0.04 0.00 4.15 -1.72 -1.99 115.11 117.22 3uag h GLN 375 Ca 0.27 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 59.42 3uag h GLN 375 Cb -0.00 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.54 3uag h GLN 375 CO -0.05 0.45 -0.90 -0.07 -1.93 0.00 0.00 178.83 176.33 3uag h LEU 376 N 0.70 0.67 -1.65 -2.39 3.38 -1.25 -3.22 115.31 111.55 3uag h LEU 376 Ca 0.41 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3uag h LEU 376 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3uag h LEU 376 CO -0.29 1.29 0.05 0.00 0.09 0.00 0.00 178.44 179.58 3uag h ALA 377 N 0.68 1.72 0.00 1.53 0.00 -1.05 -0.67 119.26 121.46 3uag h ALA 377 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3uag h ALA 377 Cb 1.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3uag h ALA 377 CO 0.16 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3uag n ALA 378 N -2.50 1.36 -0.03 0.00 0.00 -0.77 -2.12 120.51 116.45 3uag n ALA 378 Ca -0.00 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 3uag n ALA 378 Cb 0.14 -1.33 0.29 0.00 0.00 0.00 0.00 19.45 18.55 3uag n ALA 378 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3uag h LEU 379 N 0.00 0.55 -5.54 0.00 3.38 -1.22 -3.39 115.31 109.10 3uag h LEU 379 Ca 0.00 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3uag h LEU 379 Cb 0.18 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 40.62 3uag h LEU 379 CO 0.00 0.57 -0.43 -0.60 0.09 0.00 0.00 178.44 178.07 3uag s ARG 380 N -5.09 0.86 0.50 1.13 3.52 -0.90 -4.87 118.95 114.10 3uag s ARG 380 Ca -0.08 -0.56 0.26 0.00 -0.13 0.00 0.00 55.73 55.22 3uag s ARG 380 Cb 0.16 0.03 1.34 0.00 -1.56 0.00 0.00 34.95 34.92 3uag s ARG 380 CO 0.77 -1.16 2.03 -1.35 -0.81 0.00 0.00 175.30 174.78 3uag h PRO 381 N 6.04 0.00 0.00 5.12 0.11 -1.74 -1.85 132.00 139.68 3uag h PRO 381 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3uag h PRO 381 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3uag h PRO 381 CO 0.05 0.14 0.00 1.05 -0.21 0.00 0.00 178.00 179.03 3uag h GLU 382 N 0.00 0.00 -0.07 1.05 9.09 -1.96 -2.60 114.58 120.09 3uag h GLU 382 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3uag h GLU 382 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3uag h GLU 382 CO 0.02 0.00 0.00 1.33 0.05 0.00 0.00 179.01 180.41 3uag n VAL 383 N -2.69 1.92 -4.92 -1.06 0.24 -0.71 -5.05 118.33 106.07 3uag n VAL 383 Ca 0.03 -2.07 -0.33 0.00 -2.04 0.00 0.00 64.34 59.93 3uag n VAL 383 Cb 0.35 -0.18 -0.14 0.00 -1.47 0.00 0.00 33.84 32.41 3uag n VAL 383 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3uag s ALA 384 N -2.72 2.61 0.04 2.33 0.00 -0.98 -1.19 121.76 121.85 3uag s ALA 384 Ca 0.32 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.37 3uag s ALA 384 Cb 0.28 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3uag s ALA 384 CO 0.05 0.51 -0.17 -1.21 0.00 0.00 0.00 175.76 174.93 3uag s GLU 385 N -0.55 2.09 -0.09 0.00 0.41 0.02 -4.95 118.70 115.63 3uag s GLU 385 Ca 0.08 -0.97 0.03 0.00 -0.41 0.00 0.00 54.97 53.69 3uag s GLU 385 Cb -0.11 -2.21 0.01 0.00 -1.78 0.00 0.00 34.13 30.03 3uag s GLU 385 CO 0.01 0.54 -0.17 -1.14 -0.49 0.00 0.00 175.26 174.01 3uag s GLN 386 N -1.51 2.31 0.39 1.61 0.74 -1.26 -0.27 119.66 121.68 3uag s GLN 386 Ca 0.15 -0.62 0.05 0.00 0.05 0.00 0.00 55.36 54.99 3uag s GLN 386 Cb -0.11 -1.85 -0.06 0.00 1.10 0.00 0.00 33.01 32.09 3uag s GLN 386 CO 0.06 0.05 0.04 0.95 -0.55 0.00 0.00 175.29 175.85 3uag s THR 387 N 0.64 1.40 0.01 -0.34 -4.23 -0.34 -4.95 115.64 107.83 3uag s THR 387 Ca -0.14 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.18 3uag s THR 387 Cb -0.16 -2.74 -0.23 0.00 1.34 0.00 0.00 72.50 70.71 3uag s THR 387 CO 0.04 0.00 1.12 -0.08 -0.54 0.00 0.00 174.62 175.16 3uag h GLU 388 N 1.86 0.44 -6.00 3.99 4.81 -1.95 -3.36 114.58 114.38 3uag h GLU 388 Ca -0.42 -0.45 -0.56 0.00 -0.13 0.00 0.00 59.36 57.80 3uag h GLU 388 Cb 1.25 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.62 3uag h GLU 388 CO 0.73 1.11 -0.75 0.95 -0.73 0.00 0.00 179.01 180.31 3uag s THR 389 N -3.27 2.22 0.22 0.32 -4.23 -1.26 -1.55 115.64 108.09 3uag s THR 389 Ca -0.13 -2.33 -0.07 0.00 -1.18 0.00 0.00 61.69 57.98 3uag s THR 389 Cb 0.04 -2.20 0.16 0.00 1.34 0.00 0.00 72.50 71.83 3uag s THR 389 CO 0.83 -0.46 1.78 -0.03 -0.54 0.00 0.00 174.62 176.20 3uag h MET 390 N 2.40 1.17 -0.84 3.99 4.05 -1.95 -2.35 114.93 121.39 3uag h MET 390 Ca -0.40 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 58.80 3uag h MET 390 Cb 1.25 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.82 3uag h MET 390 CO 0.60 0.95 0.46 1.49 0.23 0.00 0.00 176.91 180.65 3uag h GLU 391 N 1.14 1.17 -0.78 0.39 4.81 -1.98 0.08 114.58 119.41 3uag h GLU 391 Ca 0.26 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3uag h GLU 391 Cb 0.22 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3uag h GLU 391 CO -0.02 0.86 0.28 1.96 -0.73 0.00 0.00 179.01 181.36 3uag h GLN 392 N 1.17 1.18 -0.64 1.92 4.20 -1.93 -1.01 115.11 119.99 3uag h GLN 392 Ca 0.30 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3uag h GLN 392 Cb 0.02 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3uag h GLN 392 CO -0.05 0.98 0.21 0.00 -0.67 0.00 0.00 178.83 179.29 3uag h ALA 393 N 1.16 1.15 -0.16 3.87 0.00 -0.80 -1.24 119.26 123.24 3uag h ALA 393 Ca 0.26 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3uag h ALA 393 Cb 0.26 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3uag h ALA 393 CO -0.02 0.59 -0.76 0.52 0.00 0.00 0.00 179.25 179.59 3uag h MET 394 N 0.94 0.78 0.00 0.00 2.86 -0.55 -0.60 114.93 118.36 3uag h MET 394 Ca 0.21 -0.62 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 3uag h MET 394 Cb 0.26 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3uag h MET 394 CO -0.01 1.23 -0.09 0.00 1.06 0.00 0.00 176.91 179.10 3uag h ARG 395 N 0.54 0.00 0.02 1.72 3.08 -1.11 -0.13 114.38 118.50 3uag h ARG 395 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3uag h ARG 395 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3uag h ARG 395 CO 0.16 0.09 -0.01 1.25 -1.07 0.00 0.00 179.97 180.39 3uag h LEU 396 N 0.00 -0.02 -0.64 3.04 5.85 -0.89 -3.34 115.31 119.31 3uag h LEU 396 Ca -0.00 -0.71 -0.14 0.00 0.84 0.00 0.00 57.88 57.87 3uag h LEU 396 Cb 0.51 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3uag h LEU 396 CO 0.01 0.72 -0.68 0.17 -0.34 0.00 0.00 178.44 178.33 3uag h LEU 397 N -0.79 0.00 -0.55 2.25 8.10 -0.95 -3.38 115.31 119.99 3uag h LEU 397 Ca -0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.05 3uag h LEU 397 Cb 0.73 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.89 3uag h LEU 397 CO 0.00 0.68 0.26 0.00 -4.11 0.00 0.00 178.44 175.27 3uag h ALA 398 N 1.32 0.71 -0.30 0.17 0.00 -1.14 -0.37 119.26 119.65 3uag h ALA 398 Ca -0.01 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3uag h ALA 398 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3uag h ALA 398 CO 0.09 -0.10 0.30 -1.35 0.00 0.00 0.00 179.25 178.19 3uag h PRO 399 N 0.50 0.00 0.00 0.00 0.11 -1.77 -2.27 132.00 128.58 3uag h PRO 399 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3uag h PRO 399 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3uag h PRO 399 CO -0.20 0.00 -0.48 0.54 -0.21 0.00 0.00 178.00 177.66 3uag n ARG 400 N -3.88 0.03 -2.16 1.05 1.74 -0.16 -4.92 116.66 108.36 3uag n ARG 400 Ca 0.04 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 3uag n ARG 400 Cb 0.45 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3uag n ARG 400 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3uag s VAL 401 N -3.02 3.33 0.18 1.55 1.01 -0.85 -5.04 120.40 117.56 3uag s VAL 401 Ca 0.11 0.92 0.10 0.00 0.00 0.00 0.00 61.98 63.10 3uag s VAL 401 Cb 0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3uag s VAL 401 CO 0.69 0.06 -0.16 -1.10 0.00 0.00 0.00 175.10 174.59 3uag s GLN 402 N 1.39 1.83 0.15 2.72 -1.52 -1.26 -5.07 119.66 117.90 3uag s GLN 402 Ca 0.65 -1.35 -0.34 0.00 -1.95 0.00 0.00 55.36 52.37 3uag s GLN 402 Cb -0.36 -2.04 -0.15 0.00 -0.22 0.00 0.00 33.01 30.24 3uag s GLN 402 CO 0.30 0.43 1.45 -2.30 -0.25 0.00 0.00 175.29 174.91 3uag n PRO 403 N 0.22 1.76 0.00 2.91 -0.02 -1.26 -0.65 135.00 137.96 3uag n PRO 403 Ca -0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3uag n PRO 403 Cb 0.55 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3uag n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3uag n GLY 404 N 2.84 2.62 3.81 -1.23 0.00 0.14 -4.73 105.19 108.64 3uag n GLY 404 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3uag n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3uag s ASP 405 N -1.26 4.72 -0.02 1.61 1.11 0.18 -0.68 116.67 122.32 3uag s ASP 405 Ca 0.00 1.37 0.04 0.00 0.18 0.00 0.00 52.55 54.14 3uag s ASP 405 Cb 0.00 -2.14 -0.01 0.00 1.07 0.00 0.00 42.92 41.85 3uag s ASP 405 CO 0.00 -1.83 -0.16 -0.32 1.18 0.00 0.00 175.17 174.04 3uag s MET 406 N -5.14 1.43 -0.27 8.23 -2.45 -0.70 -3.18 119.30 117.23 3uag s MET 406 Ca 0.60 -0.56 -0.06 0.00 -1.25 0.00 0.00 55.69 54.42 3uag s MET 406 Cb -0.14 -1.32 -0.00 0.00 1.25 0.00 0.00 34.83 34.61 3uag s MET 406 CO 0.54 0.29 0.05 0.08 1.05 0.00 0.00 175.02 177.03 3uag s VAL 407 N -0.18 3.88 -0.21 10.11 1.01 -0.41 -0.83 120.40 133.76 3uag s VAL 407 Ca 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3uag s VAL 407 Cb -0.08 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.43 3uag s VAL 407 CO 0.00 0.22 -0.15 -0.22 0.00 0.00 0.00 175.10 174.95 3uag s LEU 408 N 1.51 2.59 -0.63 3.92 2.96 -0.17 -0.40 118.68 128.48 3uag s LEU 408 Ca 0.04 -0.94 -0.22 0.00 -0.22 0.00 0.00 54.13 52.79 3uag s LEU 408 Cb -0.16 -1.45 0.07 0.00 0.50 0.00 0.00 46.19 45.15 3uag s LEU 408 CO 0.01 -0.09 0.90 -0.22 -1.32 0.00 0.00 176.35 175.63 3uag s LEU 409 N 1.25 4.57 -0.45 -0.68 2.96 -0.22 -1.24 118.68 124.87 3uag s LEU 409 Ca -0.01 -1.01 0.04 0.00 -0.22 0.00 0.00 54.13 52.93 3uag s LEU 409 Cb -0.16 -2.43 0.17 0.00 0.50 0.00 0.00 46.19 44.27 3uag s LEU 409 CO -0.09 -1.34 0.36 -0.24 -1.32 0.00 0.00 176.35 173.72 3uag n SER 410 N 7.36 0.02 0.07 3.68 2.88 -1.14 -0.12 113.62 126.37 3uag n SER 410 Ca -0.05 -2.50 0.13 0.00 -1.33 0.00 0.00 58.87 55.13 3uag n SER 410 Cb 0.45 -0.58 0.45 0.00 -0.75 0.00 0.00 64.21 63.78 3uag n SER 410 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3uag n PRO 411 N 2.70 0.19 -1.44 -1.46 -0.04 -1.20 -4.70 135.00 129.05 3uag n PRO 411 Ca 0.29 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.74 3uag n PRO 411 Cb 0.46 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 3uag n PRO 411 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3uag n ALA 412 N -1.70 -0.23 -2.77 0.55 0.00 -0.38 -1.67 120.51 114.31 3uag n ALA 412 Ca 0.06 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.65 3uag n ALA 412 Cb 0.40 -1.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.06 3uag n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3uag s ALA 414 N -2.46 2.10 -1.56 0.00 0.00 -0.34 -4.34 121.76 115.16 3uag s ALA 414 Ca -0.06 0.06 0.17 0.00 0.00 0.00 0.00 51.96 52.13 3uag s ALA 414 Cb -0.02 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3uag s ALA 414 CO -0.04 -1.86 0.89 -1.13 0.00 0.00 0.00 175.76 173.63 3uag n SER 415 N -3.56 1.68 0.00 0.00 3.41 -1.26 -1.52 113.62 112.38 3uag n SER 415 Ca 0.08 -1.34 0.10 0.00 -0.26 0.00 0.00 58.87 57.45 3uag n SER 415 Cb 0.54 0.48 0.47 0.00 -0.26 0.00 0.00 64.21 65.44 3uag n SER 415 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3uag n LEU 416 N -0.13 0.00 0.24 1.04 4.77 -1.26 -0.65 117.00 121.01 3uag n LEU 416 Ca 0.07 0.45 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 3uag n LEU 416 Cb 0.36 -0.45 0.60 0.00 -2.33 0.00 0.00 43.42 41.59 3uag n LEU 416 CO 0.22 -0.13 0.92 -2.24 -1.33 0.00 0.00 177.39 174.83 3uag h ASP 417 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -3.37 116.42 111.70 3uag h ASP 417 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3uag h ASP 417 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 3uag h ASP 417 CO 0.00 0.17 -0.18 0.00 -1.03 0.00 0.00 179.24 178.20 3uag n GLN 418 N -3.96 3.32 -4.43 4.15 6.02 -0.88 -4.98 117.38 116.62 3uag n GLN 418 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.73 3uag n GLN 418 Cb 0.26 -0.45 -0.10 0.00 1.02 0.00 0.00 30.24 30.97 3uag n GLN 418 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3uag s PHE 419 N -0.49 2.16 0.19 1.08 0.08 0.17 -5.03 117.98 116.14 3uag s PHE 419 Ca 0.00 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 3uag s PHE 419 Cb 0.00 -0.98 0.15 0.00 -0.57 0.00 0.00 43.02 41.62 3uag s PHE 419 CO 0.00 0.58 1.81 0.87 -0.10 0.00 0.00 175.22 178.38 3uag h LYS 420 N 2.59 0.62 -2.48 0.44 1.79 -1.90 -3.38 116.57 114.25 3uag h LYS 420 Ca -0.41 -0.04 0.15 0.00 -2.18 0.00 0.00 60.65 58.17 3uag h LYS 420 Cb 1.24 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.69 3uag h LYS 420 CO 0.57 0.41 0.48 0.54 -1.08 0.00 0.00 179.45 180.37 3uag s ASN 421 N -5.59 -0.12 0.46 0.86 2.20 -1.26 -4.97 114.94 106.52 3uag s ASN 421 Ca -0.13 -0.55 0.22 0.00 -0.94 0.00 0.00 52.86 51.46 3uag s ASN 421 Cb 0.14 0.54 1.10 0.00 -2.00 0.00 0.00 41.25 41.03 3uag s ASN 421 CO 0.75 -1.02 1.94 2.19 -2.94 0.00 0.00 177.10 178.01 3uag h PHE 422 N 2.00 0.00 -0.63 1.54 -5.15 -1.92 -2.57 116.94 110.21 3uag h PHE 422 Ca -0.25 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.43 3uag h PHE 422 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.38 3uag h PHE 422 CO 0.71 0.22 0.04 0.93 -2.00 0.00 0.00 178.31 178.21 3uag h GLU 423 N 0.00 1.09 -0.64 6.09 3.07 -1.96 0.12 114.58 122.34 3uag h GLU 423 Ca -0.00 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.36 58.51 3uag h GLU 423 Cb 0.53 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 3uag h GLU 423 CO 0.03 1.04 0.30 0.37 -1.40 0.00 0.00 179.01 179.34 3uag h GLN 424 N 1.00 0.94 -0.85 2.33 4.15 -1.86 0.11 115.11 120.92 3uag h GLN 424 Ca 0.19 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3uag h GLN 424 Cb 0.51 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 3uag h GLN 424 CO 0.02 0.76 0.43 -0.09 -1.93 0.00 0.00 178.83 178.02 3uag h ARG 425 N 0.89 1.21 -0.38 1.69 2.43 -1.22 0.60 114.38 119.60 3uag h ARG 425 Ca 0.22 -0.16 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 3uag h ARG 425 Cb 0.14 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3uag h ARG 425 CO -0.03 0.91 -0.39 0.78 -1.51 0.00 0.00 179.97 179.73 3uag h GLY 426 N 1.21 1.02 1.57 2.80 0.00 -0.58 -1.88 103.07 107.23 3uag h GLY 426 Ca 0.30 -1.05 -0.15 0.00 0.00 0.00 0.00 47.33 46.43 3uag h GLY 426 CO -0.04 0.95 -0.52 3.43 0.00 0.00 0.00 176.54 180.36 3uag h ASN 427 N 0.76 0.50 -0.07 0.19 2.35 -0.59 -0.79 115.58 117.93 3uag h ASN 427 Ca 0.06 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3uag h ASN 427 Cb 0.99 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 3uag h ASN 427 CO 0.10 0.93 0.03 -0.08 -1.65 0.00 0.00 177.43 176.76 3uag h GLU 428 N 0.35 0.10 -0.64 0.81 4.57 -0.79 -1.23 114.58 117.76 3uag h GLU 428 Ca 0.01 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 3uag h GLU 428 Cb 1.03 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 3uag h GLU 428 CO 0.09 0.20 0.32 0.35 -1.18 0.00 0.00 179.01 178.79 3uag h PHE 429 N -0.02 0.57 -0.39 0.92 3.57 -1.15 -0.53 116.94 119.92 3uag h PHE 429 Ca 0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3uag h PHE 429 Cb 0.13 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3uag h PHE 429 CO -0.03 0.23 -0.12 0.00 -2.23 0.00 0.00 178.31 176.17 3uag h ALA 430 N 1.38 1.07 -0.40 2.41 0.00 -0.85 0.04 119.26 122.91 3uag h ALA 430 Ca 0.30 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3uag h ALA 430 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3uag h ALA 430 CO -0.23 0.57 -0.11 -0.09 0.00 0.00 0.00 179.25 179.39 3uag h ARG 431 N 0.63 0.78 -0.15 0.00 2.43 -0.79 -1.48 114.38 115.80 3uag h ARG 431 Ca 0.11 -0.30 -0.17 0.00 -0.81 0.00 0.00 59.98 58.81 3uag h ARG 431 Cb 0.56 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3uag h ARG 431 CO 0.04 0.92 -0.61 -0.07 -1.51 0.00 0.00 179.97 178.74 3uag h LEU 432 N 0.60 0.58 -0.66 3.80 3.38 -0.91 -1.70 115.31 120.40 3uag h LEU 432 Ca 0.10 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3uag h LEU 432 Cb 0.64 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3uag h LEU 432 CO 0.04 1.05 0.44 0.00 0.09 0.00 0.00 178.44 180.06 3uag h ALA 433 N 0.96 0.84 -0.65 1.53 0.00 -0.91 0.15 119.26 121.19 3uag h ALA 433 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3uag h ALA 433 Cb 1.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3uag h ALA 433 CO 0.11 0.26 0.17 0.87 0.00 0.00 0.00 179.25 180.66 3uag h LYS 434 N 0.89 1.03 -0.38 0.00 6.56 -1.05 0.18 116.57 123.80 3uag h LYS 434 Ca 0.24 -0.24 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 3uag h LYS 434 Cb -0.10 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.41 3uag h LYS 434 CO -0.06 0.92 0.10 1.49 -2.06 0.00 0.00 179.45 179.85 3uag h GLU 435 N 0.95 0.60 -0.01 3.15 4.81 -1.12 -3.35 114.58 119.61 3uag h GLU 435 Ca 0.20 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3uag h GLU 435 Cb 0.34 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3uag h GLU 435 CO -0.00 0.62 -0.75 1.28 -0.73 0.00 0.00 179.01 179.43 3uag n LEU 436 N -4.60 1.48 -0.40 1.64 4.77 0.51 -5.10 117.00 115.30 3uag n LEU 436 Ca -0.01 -0.62 0.05 0.00 -0.03 0.00 0.00 56.01 55.41 3uag n LEU 436 Cb 0.19 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3uag n LEU 436 CO 0.38 0.31 0.41 0.61 -1.33 0.00 0.00 177.39 177.77