#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dg3 s MET 7 N 0.00 4.09 0.32 1.57 1.00 -1.26 -4.92 119.30 120.10 1dg3 s MET 7 Ca 0.00 0.93 0.09 0.00 0.00 0.00 0.00 55.69 56.71 1dg3 s MET 7 Cb 0.00 -3.70 0.56 0.00 0.00 0.00 0.00 34.83 31.69 1dg3 s MET 7 CO 0.00 -0.70 1.75 1.79 0.00 0.00 0.00 175.02 177.86 1dg3 h THR 8 N 5.57 1.30 -2.74 2.05 1.35 -2.02 -3.48 112.91 114.95 1dg3 h THR 8 Ca -0.22 -1.47 0.08 0.00 -0.55 0.00 0.00 66.41 64.26 1dg3 h THR 8 Cb 1.08 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1dg3 h THR 8 CO 0.94 0.43 0.47 -0.83 -0.25 0.00 0.00 175.52 176.28 1dg3 s GLY 9 N -4.27 0.26 0.66 5.82 0.00 -1.26 -5.15 107.32 103.37 1dg3 s GLY 9 Ca -0.03 -0.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 1dg3 s GLY 9 CO 0.75 1.53 1.14 -1.05 0.00 0.00 0.00 173.10 175.47 1dg3 n PRO 10 N -0.65 0.88 -4.17 2.90 -0.02 -1.26 -4.86 135.00 127.82 1dg3 n PRO 10 Ca -0.05 0.35 -0.16 0.00 -2.02 0.00 0.00 63.50 61.63 1dg3 n PRO 10 Cb 0.60 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.56 1dg3 n PRO 10 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1dg3 s MET 11 N -3.26 0.52 0.11 -0.52 1.75 0.32 -4.94 119.30 113.28 1dg3 s MET 11 Ca 0.79 -0.38 -0.31 0.00 -1.25 0.00 0.00 55.69 54.54 1dg3 s MET 11 Cb -0.38 -0.45 -0.08 0.00 2.84 0.00 0.00 34.83 36.77 1dg3 s MET 11 CO 0.44 0.11 1.40 0.00 -0.65 0.00 0.00 175.02 176.33 1dg3 n LEU 13 N 4.03 1.83 -4.00 0.00 7.94 0.45 -4.60 117.00 122.65 1dg3 n LEU 13 Ca 0.12 0.26 -0.31 0.00 -1.11 0.00 0.00 56.01 54.96 1dg3 n LEU 13 Cb 0.42 -0.72 -0.15 0.00 0.53 0.00 0.00 43.42 43.49 1dg3 n LEU 13 CO 0.59 0.54 -0.44 -0.63 -1.11 0.00 0.00 177.39 176.34 1dg3 s ILE 14 N -2.45 1.79 0.14 1.96 1.01 -0.86 0.26 121.20 123.06 1dg3 s ILE 14 Ca -0.34 -1.33 -0.22 0.00 0.00 0.00 0.00 60.65 58.77 1dg3 s ILE 14 Cb 0.13 -1.96 -0.07 0.00 0.01 0.00 0.00 42.46 40.56 1dg3 s ILE 14 CO 0.44 -0.02 0.68 -0.70 0.00 0.00 0.00 174.94 175.34 1dg3 s GLU 15 N 1.29 4.37 -0.34 2.79 2.12 0.92 -1.03 118.70 128.81 1dg3 s GLU 15 Ca -0.06 0.94 0.02 0.00 0.36 0.00 0.00 54.97 56.23 1dg3 s GLU 15 Cb -0.19 -3.19 0.10 0.00 0.26 0.00 0.00 34.13 31.12 1dg3 s GLU 15 CO -0.06 0.57 0.08 1.21 -0.54 0.00 0.00 175.26 176.52 1dg3 s ASN 16 N -1.22 4.44 -0.05 -1.70 2.47 -0.91 -0.92 114.94 117.05 1dg3 s ASN 16 Ca 0.34 -2.01 -0.01 0.00 0.42 0.00 0.00 52.86 51.61 1dg3 s ASN 16 Cb -0.21 -1.32 0.03 0.00 -1.45 0.00 0.00 41.25 38.30 1dg3 s ASN 16 CO 0.23 -0.38 0.00 -0.89 -3.72 0.00 0.00 177.10 172.33 1dg3 s THR 17 N 1.11 0.28 -1.54 -5.21 2.01 -1.15 -4.15 115.64 106.99 1dg3 s THR 17 Ca 0.11 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 1dg3 s THR 17 Cb -0.19 -0.42 0.05 0.00 0.01 0.00 0.00 72.50 71.95 1dg3 s THR 17 CO -0.14 0.22 0.37 0.59 -0.69 0.00 0.00 174.62 174.97 1dg3 n ASN 18 N 4.78 -0.59 0.00 3.53 4.13 -1.26 -3.07 115.26 122.78 1dg3 n ASN 18 Ca -0.14 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 55.02 1dg3 n ASN 18 Cb 0.50 -2.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.27 1dg3 n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dg3 n GLY 19 N -1.99 0.88 3.38 7.41 0.00 -1.26 -5.06 105.19 108.54 1dg3 n GLY 19 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1dg3 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dg3 s ARG 20 N -0.64 1.75 -0.28 1.61 0.52 -1.17 -4.93 118.95 115.81 1dg3 s ARG 20 Ca 0.00 -1.15 -0.10 0.00 -0.52 0.00 0.00 55.73 53.97 1dg3 s ARG 20 Cb 0.00 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 1dg3 s ARG 20 CO 0.00 0.50 0.15 -0.51 0.02 0.00 0.00 175.30 175.46 1dg3 s LEU 21 N -1.50 3.90 -0.13 2.53 1.43 -1.26 -2.94 118.68 120.71 1dg3 s LEU 21 Ca 0.13 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1dg3 s LEU 21 Cb -0.10 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1dg3 s LEU 21 CO 0.04 -0.10 -0.14 -0.04 0.23 0.00 0.00 176.35 176.34 1dg3 s MET 22 N 1.68 2.26 -0.05 1.70 -1.94 -0.09 -4.94 119.30 117.91 1dg3 s MET 22 Ca 0.06 -0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 53.19 1dg3 s MET 22 Cb -0.16 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 1dg3 s MET 22 CO 0.07 -0.18 1.25 0.00 -0.01 0.00 0.00 175.02 176.16 1dg3 s ALA 23 N 1.32 3.52 -0.38 3.03 0.00 -1.26 -0.06 121.76 127.93 1dg3 s ALA 23 Ca 0.01 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 1dg3 s ALA 23 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.45 1dg3 s ALA 23 CO -0.07 -0.82 1.39 1.21 0.00 0.00 0.00 175.76 177.46 1dg3 s ASN 24 N 1.60 6.42 0.42 0.00 2.47 0.14 -4.90 114.94 121.09 1dg3 s ASN 24 Ca 0.58 0.94 0.19 0.00 0.42 0.00 0.00 52.86 54.98 1dg3 s ASN 24 Cb -0.26 -2.54 1.11 0.00 -1.45 0.00 0.00 41.25 38.11 1dg3 s ASN 24 CO 0.23 -1.34 1.83 1.55 -3.72 0.00 0.00 177.10 175.65 1dg3 h PRO 25 N 10.33 0.38 -0.20 0.43 0.13 -1.92 0.99 132.00 142.14 1dg3 h PRO 25 Ca -0.27 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.73 1dg3 h PRO 25 Cb 1.10 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1dg3 h PRO 25 CO 1.07 0.25 -0.34 1.49 -0.23 0.00 0.00 178.00 180.24 1dg3 h GLU 26 N 0.39 0.41 -0.12 0.86 4.81 -1.94 -0.36 114.58 118.64 1dg3 h GLU 26 Ca 0.51 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 1dg3 h GLU 26 Cb 1.31 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.69 1dg3 h GLU 26 CO -0.20 0.70 -0.48 0.00 -0.73 0.00 0.00 179.01 178.30 1dg3 h ALA 27 N 1.29 0.22 -0.72 2.92 0.00 -1.11 -2.84 119.26 119.01 1dg3 h ALA 27 Ca 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1dg3 h ALA 27 Cb 0.77 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1dg3 h ALA 27 CO 0.06 0.38 0.39 -0.07 0.00 0.00 0.00 179.25 180.01 1dg3 h LEU 28 N 0.14 0.91 -0.96 0.00 3.38 -1.09 -1.28 115.31 116.41 1dg3 h LEU 28 Ca -0.03 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1dg3 h LEU 28 Cb 1.12 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1dg3 h LEU 28 CO 0.10 0.75 0.62 0.11 0.09 0.00 0.00 178.44 180.11 1dg3 h LYS 29 N 1.00 1.14 -0.49 1.13 1.79 -1.06 0.24 116.57 120.32 1dg3 h LYS 29 Ca 0.25 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 1dg3 h LYS 29 Cb 0.04 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 1dg3 h LYS 29 CO -0.04 0.75 0.17 0.82 -1.08 0.00 0.00 179.45 180.07 1dg3 h ILE 30 N 1.17 1.22 -0.72 1.86 2.04 -1.14 -2.91 117.51 119.04 1dg3 h ILE 30 Ca 0.39 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1dg3 h ILE 30 Cb 0.07 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1dg3 h ILE 30 CO -0.14 0.27 0.26 -0.07 0.00 0.00 0.00 178.15 178.46 1dg3 h LEU 31 N 0.65 1.01 -2.18 1.44 3.38 -0.08 -2.69 115.31 116.85 1dg3 h LEU 31 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dg3 h LEU 31 Cb 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1dg3 h LEU 31 CO -0.01 0.93 0.00 0.77 0.09 0.00 0.00 178.44 180.22 1dg3 h SER 32 N 1.04 0.00 0.02 -0.43 4.64 -0.37 -1.82 113.55 116.63 1dg3 h SER 32 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1dg3 h SER 32 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1dg3 h SER 32 CO -0.01 0.00 -1.11 0.00 -0.87 0.00 0.00 176.83 174.83 1dg3 n ALA 33 N -1.93 4.46 -2.76 5.18 0.00 -1.02 -4.52 120.51 119.92 1dg3 n ALA 33 Ca -0.02 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 1dg3 n ALA 33 Cb 0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1dg3 n ALA 33 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dg3 s ILE 34 N -3.07 4.18 -0.44 0.00 1.01 -0.70 -4.89 121.20 117.29 1dg3 s ILE 34 Ca 0.06 -0.11 0.23 0.00 0.00 0.00 0.00 60.65 60.83 1dg3 s ILE 34 Cb 0.16 -4.73 0.31 0.00 0.01 0.00 0.00 42.46 38.21 1dg3 s ILE 34 CO 0.87 -1.53 1.58 0.71 0.00 0.00 0.00 174.94 176.56 1dg3 h THR 35 N 5.99 0.00 -4.19 2.92 1.35 -1.88 0.17 112.91 117.27 1dg3 h THR 35 Ca -0.28 -0.98 -0.49 0.00 -0.55 0.00 0.00 66.41 64.11 1dg3 h THR 35 Cb 1.07 1.94 0.05 0.00 -1.73 0.00 0.00 68.15 69.48 1dg3 h THR 35 CO 1.20 0.00 0.38 -1.10 -0.25 0.00 0.00 175.52 175.75 1dg3 s GLN 36 N -3.22 3.52 0.42 4.72 1.11 -1.26 -4.70 119.66 120.26 1dg3 s GLN 36 Ca 0.07 1.15 -0.25 0.00 0.01 0.00 0.00 55.36 56.33 1dg3 s GLN 36 Cb 0.06 -2.06 -0.08 0.00 -1.01 0.00 0.00 33.01 29.91 1dg3 s GLN 36 CO 0.68 -0.64 1.28 -1.25 0.01 0.00 0.00 175.29 175.37 1dg3 s PRO 37 N -4.01 3.89 0.02 2.91 0.04 -1.26 -3.95 135.00 132.64 1dg3 s PRO 37 Ca 0.63 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.82 1dg3 s PRO 37 Cb -0.14 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 1dg3 s PRO 37 CO 0.34 -0.54 -0.16 -1.64 0.04 0.00 0.00 177.00 175.04 1dg3 s MET 38 N -2.35 2.23 -0.24 4.56 -1.94 0.31 -1.28 119.30 120.60 1dg3 s MET 38 Ca 0.59 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.61 1dg3 s MET 38 Cb -0.36 -2.27 -0.03 0.00 2.01 0.00 0.00 34.83 34.17 1dg3 s MET 38 CO 0.46 0.57 0.09 0.08 -0.01 0.00 0.00 175.02 176.20 1dg3 s VAL 39 N -0.89 4.57 -0.24 -6.03 1.01 -0.31 -0.73 120.40 117.79 1dg3 s VAL 39 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1dg3 s VAL 39 Cb -0.11 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1dg3 s VAL 39 CO 0.05 0.35 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 1dg3 s VAL 40 N 1.33 3.23 -0.20 2.92 1.01 -1.26 -0.44 120.40 127.00 1dg3 s VAL 40 Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1dg3 s VAL 40 Cb -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1dg3 s VAL 40 CO 0.04 0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.66 1dg3 s VAL 41 N 1.43 2.88 -0.07 2.92 1.01 0.15 0.33 120.40 129.04 1dg3 s VAL 41 Ca 0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1dg3 s VAL 41 Cb -0.15 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1dg3 s VAL 41 CO -0.03 0.47 0.34 0.00 0.00 0.00 0.00 175.10 175.88 1dg3 s ALA 42 N 1.36 3.68 -0.28 5.51 0.00 -0.09 -0.59 121.76 131.35 1dg3 s ALA 42 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1dg3 s ALA 42 Cb -0.14 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.69 1dg3 s ALA 42 CO -0.06 0.37 -0.03 0.42 0.00 0.00 0.00 175.76 176.45 1dg3 s ILE 43 N -0.54 2.82 -0.00 0.00 1.09 0.24 -0.31 121.20 124.50 1dg3 s ILE 43 Ca 0.21 -1.35 0.08 0.00 -1.10 0.00 0.00 60.65 58.48 1dg3 s ILE 43 Cb -0.15 -2.59 -0.02 0.00 -1.06 0.00 0.00 42.46 38.64 1dg3 s ILE 43 CO 0.09 -0.03 -0.25 -0.69 -0.10 0.00 0.00 174.94 173.96 1dg3 s VAL 44 N 1.24 2.14 0.00 2.92 1.01 0.78 -2.08 120.40 126.42 1dg3 s VAL 44 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1dg3 s VAL 44 Cb -0.19 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1dg3 s VAL 44 CO -0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1dg3 n GLY 45 N 2.25 0.65 3.82 4.51 0.00 -1.26 -0.53 105.19 114.63 1dg3 n GLY 45 Ca -0.16 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1dg3 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dg3 s LEU 46 N 0.00 3.07 0.21 0.99 1.43 -1.26 -4.67 118.68 118.45 1dg3 s LEU 46 Ca 0.00 1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 54.56 1dg3 s LEU 46 Cb 0.00 -4.41 0.17 0.00 0.03 0.00 0.00 46.19 41.97 1dg3 s LEU 46 CO 0.00 -1.47 1.88 0.22 0.23 0.00 0.00 176.35 177.22 1dg3 h TYR 47 N -0.73 0.99 -0.10 0.29 3.20 -1.93 -2.54 116.97 116.15 1dg3 h TYR 47 Ca -0.44 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.48 1dg3 h TYR 47 Cb 1.22 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 1dg3 h TYR 47 CO 0.60 0.63 0.31 0.00 -1.64 0.00 0.00 178.16 178.06 1dg3 h ARG 48 N 1.06 0.00 0.00 1.82 -0.00 -1.99 -1.16 114.38 114.11 1dg3 h ARG 48 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.76 1dg3 h ARG 48 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.86 1dg3 h ARG 48 CO -0.06 0.00 0.00 0.25 0.00 0.00 0.00 179.97 180.16 1dg3 n THR 49 N -3.16 0.81 -2.36 2.04 -2.24 -0.95 -4.89 114.28 103.53 1dg3 n THR 49 Ca 0.00 0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.80 1dg3 n THR 49 Cb 0.39 -1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1dg3 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dg3 n GLY 50 N 0.14 -0.27 0.23 3.38 0.00 -0.44 -4.85 105.19 103.37 1dg3 n GLY 50 Ca 0.03 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.99 1dg3 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dg3 h LYS 51 N -0.13 0.00 -0.21 1.61 2.10 -1.83 -2.29 116.57 115.82 1dg3 h LYS 51 Ca -0.37 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.29 1dg3 h LYS 51 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1dg3 h LYS 51 CO 0.44 0.00 0.14 1.03 -2.00 0.00 0.00 179.45 179.06 1dg3 h SER 52 N 0.00 0.19 -0.20 7.07 0.87 -1.89 -1.50 113.55 118.10 1dg3 h SER 52 Ca 0.00 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1dg3 h SER 52 Cb 0.29 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1dg3 h SER 52 CO 0.00 0.13 -0.09 0.22 -0.53 0.00 0.00 176.83 176.57 1dg3 h TYR 53 N 0.22 0.47 -0.51 2.24 3.20 -1.80 -2.38 116.97 118.41 1dg3 h TYR 53 Ca 0.08 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1dg3 h TYR 53 Cb 0.06 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1dg3 h TYR 53 CO -0.00 0.70 0.29 -0.07 -1.64 0.00 0.00 178.16 177.43 1dg3 h LEU 54 N 0.11 0.61 -0.53 2.82 3.38 -1.47 -1.94 115.31 118.30 1dg3 h LEU 54 Ca 0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1dg3 h LEU 54 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1dg3 h LEU 54 CO 0.03 0.49 -0.06 -0.03 0.09 0.00 0.00 178.44 178.96 1dg3 h MET 55 N 0.71 0.98 -0.48 1.13 4.05 -1.14 -1.46 114.93 118.71 1dg3 h MET 55 Ca 0.18 -0.34 -0.09 0.00 -0.28 0.00 0.00 59.70 59.17 1dg3 h MET 55 Cb 0.01 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1dg3 h MET 55 CO -0.03 1.01 -0.07 -0.91 0.23 0.00 0.00 176.91 177.14 1dg3 h ASN 56 N 0.85 0.82 -0.50 1.39 2.35 -0.90 -0.69 115.58 118.90 1dg3 h ASN 56 Ca 0.14 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1dg3 h ASN 56 Cb 0.61 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1dg3 h ASN 56 CO 0.04 0.93 0.04 0.11 -1.65 0.00 0.00 177.43 176.89 1dg3 h LYS 57 N 0.77 0.86 -0.15 0.81 1.79 -1.21 0.01 116.57 119.45 1dg3 h LYS 57 Ca 0.14 -0.26 -0.11 0.00 -2.18 0.00 0.00 60.65 58.24 1dg3 h LYS 57 Cb 0.56 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1dg3 h LYS 57 CO 0.03 0.88 -0.37 -0.07 -1.08 0.00 0.00 179.45 178.84 1dg3 h LEU 58 N 0.73 0.32 0.00 2.94 3.38 -1.08 -1.75 115.31 119.86 1dg3 h LEU 58 Ca 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dg3 h LEU 58 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1dg3 h LEU 58 CO 0.02 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1dg3 n ALA 59 N -2.48 2.61 -0.97 1.53 0.00 -0.28 -4.85 120.51 116.07 1dg3 n ALA 59 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1dg3 n ALA 59 Cb 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1dg3 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dg3 n GLY 60 N 0.84 0.26 3.76 0.00 0.00 -0.66 -4.97 105.19 104.42 1dg3 n GLY 60 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1dg3 n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dg3 s LYS 61 N -1.02 3.15 0.00 1.61 2.20 -0.05 -5.00 119.74 120.64 1dg3 s LYS 61 Ca 0.00 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 1dg3 s LYS 61 Cb 0.00 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.26 1dg3 s LYS 61 CO 0.00 -1.07 0.00 1.17 -0.36 0.00 0.00 175.35 175.09 1dg3 n LYS 62 N -1.31 0.00 0.00 4.03 3.00 -1.26 -4.60 118.16 118.02 1dg3 n LYS 62 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1dg3 n LYS 62 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1dg3 n LYS 62 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1dg3 n HIS 74 N 0.00 0.00 -1.68 5.64 -0.00 -1.26 -5.24 115.22 112.68 1dg3 n HIS 74 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.72 57.21 1dg3 n HIS 74 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1dg3 n HIS 74 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1dg3 n THR 75 N -1.70 0.38 -2.15 3.57 -1.04 -1.26 -4.91 114.28 107.17 1dg3 n THR 75 Ca 0.00 -0.07 -0.27 0.00 -2.04 0.00 0.00 64.05 61.67 1dg3 n THR 75 Cb 0.00 -1.57 0.14 0.00 -1.82 0.00 0.00 70.33 67.08 1dg3 n THR 75 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1dg3 s LYS 76 N 3.21 1.29 0.00 -2.82 1.02 -1.26 -4.87 119.74 116.31 1dg3 s LYS 76 Ca 0.92 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.37 1dg3 s LYS 76 Cb -0.81 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1dg3 s LYS 76 CO 0.53 -1.89 0.00 0.41 -0.92 0.00 0.00 175.35 173.48 1dg3 n GLY 77 N -3.34 0.31 3.31 -3.33 0.00 -0.28 -2.15 105.19 99.72 1dg3 n GLY 77 Ca 0.13 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1dg3 n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dg3 s ILE 78 N 0.00 3.24 0.02 -0.61 1.01 -0.20 -0.62 121.20 124.04 1dg3 s ILE 78 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1dg3 s ILE 78 Cb 0.00 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1dg3 s ILE 78 CO 0.00 0.45 0.14 0.26 0.00 0.00 0.00 174.94 175.79 1dg3 s TRP 79 N 1.24 3.40 0.15 3.97 0.52 0.07 -0.41 118.94 127.88 1dg3 s TRP 79 Ca 0.03 0.25 0.10 0.00 0.02 0.00 0.00 56.10 56.50 1dg3 s TRP 79 Cb -0.14 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 1dg3 s TRP 79 CO -0.03 0.59 -0.23 0.00 0.02 0.00 0.00 176.95 177.30 1dg3 s MET 80 N -2.03 1.37 -0.27 4.98 0.23 0.96 -0.17 119.30 124.38 1dg3 s MET 80 Ca 0.27 -1.39 -0.02 0.00 -1.03 0.00 0.00 55.69 53.52 1dg3 s MET 80 Cb -0.12 -1.70 0.11 0.00 -1.53 0.00 0.00 34.83 31.59 1dg3 s MET 80 CO 0.19 0.38 0.22 -0.46 -2.03 0.00 0.00 175.02 173.32 1dg3 s TRP 81 N -1.45 -0.15 -0.21 3.16 -0.11 -0.09 -0.52 118.94 119.57 1dg3 s TRP 81 Ca 0.15 -0.35 -0.16 0.00 1.22 0.00 0.00 56.10 56.97 1dg3 s TRP 81 Cb -0.09 -0.60 -0.04 0.00 -1.50 0.00 0.00 33.47 31.25 1dg3 s TRP 81 CO 0.07 -0.82 0.41 0.00 -4.62 0.00 0.00 176.95 171.99 1dg3 s VAL 83 N 1.42 0.24 0.43 0.00 -7.23 -0.51 -4.34 120.40 110.41 1dg3 s VAL 83 Ca 0.19 -1.84 -0.25 0.00 -1.81 0.00 0.00 61.98 58.28 1dg3 s VAL 83 Cb -0.15 -1.62 -0.08 0.00 0.56 0.00 0.00 36.38 35.09 1dg3 s VAL 83 CO 0.08 -0.90 1.26 -2.16 -0.31 0.00 0.00 175.10 173.08 1dg3 s PRO 84 N -3.94 3.83 -0.14 4.82 0.04 -1.26 -0.03 135.00 138.32 1dg3 s PRO 84 Ca 0.10 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 1dg3 s PRO 84 Cb 0.08 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1dg3 s PRO 84 CO -0.08 -0.57 1.28 -1.58 0.04 0.00 0.00 177.00 176.10 1dg3 s HIS 85 N -1.35 2.84 0.49 0.56 2.46 -0.59 -4.53 115.29 115.18 1dg3 s HIS 85 Ca 0.60 0.98 0.19 0.00 0.47 0.00 0.00 55.06 57.30 1dg3 s HIS 85 Cb -0.35 -3.52 1.23 0.00 -0.13 0.00 0.00 32.58 29.80 1dg3 s HIS 85 CO 0.44 -1.79 2.02 -1.00 -2.47 0.00 0.00 174.74 171.94 1dg3 h PRO 86 N 8.17 0.15 -0.00 2.88 0.13 -1.91 -3.17 132.00 138.26 1dg3 h PRO 86 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1dg3 h PRO 86 Cb 1.12 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1dg3 h PRO 86 CO 0.96 0.10 -0.15 1.63 -0.23 0.00 0.00 178.00 180.31 1dg3 n LYS 87 N -4.45 3.59 -3.92 0.86 5.02 -1.26 -4.90 118.16 113.10 1dg3 n LYS 87 Ca 0.07 -0.27 -0.30 0.00 -2.02 0.00 0.00 58.31 55.79 1dg3 n LYS 87 Cb 0.40 -0.85 -0.14 0.00 -0.02 0.00 0.00 35.03 34.42 1dg3 n LYS 87 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dg3 s LYS 88 N -1.13 1.62 0.53 1.97 1.02 -1.20 -5.10 119.74 117.45 1dg3 s LYS 88 Ca 0.03 -2.17 -0.22 0.00 0.02 0.00 0.00 55.97 53.63 1dg3 s LYS 88 Cb 0.04 -3.05 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 1dg3 s LYS 88 CO 0.16 -1.05 1.34 -2.30 -0.92 0.00 0.00 175.35 172.57 1dg3 n PRO 89 N 3.68 1.74 -0.95 -1.68 -0.02 -1.26 -2.05 135.00 134.45 1dg3 n PRO 89 Ca 0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1dg3 n PRO 89 Cb 0.36 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1dg3 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dg3 n GLY 90 N 0.77 0.74 3.47 -1.23 0.00 -1.26 -5.01 105.19 102.68 1dg3 n GLY 90 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1dg3 n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dg3 s HIS 91 N -3.12 2.41 -0.06 1.61 3.76 -0.87 -4.02 115.29 114.99 1dg3 s HIS 91 Ca 0.00 -0.32 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1dg3 s HIS 91 Cb 0.00 -1.20 -0.03 0.00 1.11 0.00 0.00 32.58 32.47 1dg3 s HIS 91 CO 0.00 0.49 -0.13 0.42 -0.85 0.00 0.00 174.74 174.67 1dg3 s ILE 92 N -1.63 3.18 -0.27 0.60 -1.09 -0.40 -1.55 121.20 120.04 1dg3 s ILE 92 Ca 0.21 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.84 1dg3 s ILE 92 Cb -0.08 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.49 1dg3 s ILE 92 CO 0.11 0.59 0.24 -0.22 -1.23 0.00 0.00 174.94 174.43 1dg3 s LEU 93 N -0.68 4.05 -0.25 2.97 2.96 0.95 -1.16 118.68 127.51 1dg3 s LEU 93 Ca 0.10 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1dg3 s LEU 93 Cb -0.11 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.38 1dg3 s LEU 93 CO 0.01 -0.06 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.28 1dg3 s VAL 94 N 1.69 3.42 -0.20 1.68 1.01 0.42 -1.43 120.40 126.99 1dg3 s VAL 94 Ca 0.09 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1dg3 s VAL 94 Cb -0.15 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1dg3 s VAL 94 CO 0.09 0.24 0.15 -0.76 0.00 0.00 0.00 175.10 174.83 1dg3 s LEU 95 N 1.44 4.21 -0.12 3.92 1.43 -0.56 -0.68 118.68 128.32 1dg3 s LEU 95 Ca 0.03 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1dg3 s LEU 95 Cb -0.16 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1dg3 s LEU 95 CO -0.02 0.17 -0.17 -0.76 0.23 0.00 0.00 176.35 175.80 1dg3 s LEU 96 N 0.39 2.51 -0.06 1.79 1.43 0.24 -0.91 118.68 124.07 1dg3 s LEU 96 Ca 0.09 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1dg3 s LEU 96 Cb -0.11 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1dg3 s LEU 96 CO -0.01 0.17 -0.14 -0.62 0.23 0.00 0.00 176.35 175.97 1dg3 s ASP 97 N 0.33 1.94 -0.10 2.29 2.15 0.76 0.82 116.67 124.87 1dg3 s ASP 97 Ca -0.13 -0.32 -0.23 0.00 0.43 0.00 0.00 52.55 52.29 1dg3 s ASP 97 Cb -0.17 -0.75 -0.03 0.00 -0.30 0.00 0.00 42.92 41.67 1dg3 s ASP 97 CO 0.07 0.08 0.70 0.42 -0.17 0.00 0.00 175.17 176.27 1dg3 s THR 98 N 0.40 5.03 -0.12 1.71 -4.23 -0.88 -0.76 115.64 116.79 1dg3 s THR 98 Ca -0.11 1.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.84 1dg3 s THR 98 Cb -0.14 -4.03 -0.00 0.00 1.34 0.00 0.00 72.50 69.66 1dg3 s THR 98 CO 0.03 0.21 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.53 1dg3 s GLU 99 N 1.08 3.18 0.00 3.99 0.41 0.21 -4.64 118.70 122.93 1dg3 s GLU 99 Ca 0.36 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 54.13 1dg3 s GLU 99 Cb -0.17 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.71 1dg3 s GLU 99 CO 0.16 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.50 1dg3 n GLY 100 N 3.63 1.16 3.63 -1.39 0.00 -1.26 -1.13 105.19 109.83 1dg3 n GLY 100 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1dg3 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dg3 s LEU 101 N 0.00 3.92 0.00 0.99 2.96 -1.26 -1.47 118.68 123.83 1dg3 s LEU 101 Ca 0.00 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1dg3 s LEU 101 Cb 0.00 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1dg3 s LEU 101 CO 0.00 -1.47 0.00 0.61 -1.32 0.00 0.00 176.35 174.17 1dg3 n GLY 102 N 5.07 0.31 0.65 7.98 0.00 -1.26 -4.34 105.19 113.60 1dg3 n GLY 102 Ca 0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1dg3 n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dg3 n ASP 103 N -0.39 2.34 -2.60 1.61 10.43 -0.54 -4.50 116.55 122.89 1dg3 n ASP 103 Ca 0.00 -1.67 -0.14 0.00 2.57 0.00 0.00 54.79 55.55 1dg3 n ASP 103 Cb 0.20 0.29 0.02 0.00 1.84 0.00 0.00 41.12 43.47 1dg3 n ASP 103 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1dg3 n VAL 104 N 0.48 1.45 0.29 2.53 0.24 -1.25 -4.89 118.33 117.18 1dg3 n VAL 104 Ca 0.11 -3.63 0.16 0.00 -2.04 0.00 0.00 64.34 58.94 1dg3 n VAL 104 Cb 0.50 0.09 0.93 0.00 -1.47 0.00 0.00 33.84 33.89 1dg3 n VAL 104 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1dg3 h GLU 105 N 2.83 0.00 -0.22 7.34 4.39 -1.92 0.98 114.58 127.98 1dg3 h GLU 105 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1dg3 h GLU 105 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1dg3 h GLU 105 CO 0.59 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 180.07 1dg3 n LYS 106 N -3.78 2.16 0.00 2.33 5.02 -1.26 -4.85 118.16 117.78 1dg3 n LYS 106 Ca -0.02 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 1dg3 n LYS 106 Cb 0.11 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1dg3 n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dg3 n GLY 107 N 1.33 5.10 2.96 0.72 0.00 0.34 -5.02 105.19 110.61 1dg3 n GLY 107 Ca 0.17 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1dg3 n GLY 107 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dg3 n ASP 108 N 0.00 4.42 -1.72 1.61 5.75 -1.25 -4.68 116.55 120.67 1dg3 n ASP 108 Ca 0.00 -2.92 0.08 0.00 -0.01 0.00 0.00 54.79 51.93 1dg3 n ASP 108 Cb 0.00 -1.63 0.38 0.00 -1.03 0.00 0.00 41.12 38.84 1dg3 n ASP 108 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1dg3 n ASN 109 N 6.00 5.34 0.15 -1.12 6.94 -1.24 -4.61 115.26 126.72 1dg3 n ASN 109 Ca 0.48 -2.82 0.13 0.00 -0.02 0.00 0.00 54.58 52.34 1dg3 n ASN 109 Cb 0.40 -0.65 0.54 0.00 -2.36 0.00 0.00 39.78 37.71 1dg3 n ASN 109 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1dg3 h GLN 110 N 3.80 0.00 -0.32 -3.83 -0.00 -1.93 -3.11 115.11 109.73 1dg3 h GLN 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1dg3 h GLN 110 Cb 1.81 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.29 1dg3 h GLN 110 CO 0.40 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.32 1dg3 n ASN 111 N -2.36 2.94 -0.29 0.06 3.02 -1.26 -4.72 115.26 112.64 1dg3 n ASN 111 Ca 0.02 -1.87 0.07 0.00 -0.03 0.00 0.00 54.58 52.76 1dg3 n ASN 111 Cb 0.22 -0.21 0.22 0.00 -0.61 0.00 0.00 39.78 39.40 1dg3 n ASN 111 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1dg3 h ASP 112 N 2.95 0.54 0.28 6.41 3.45 -1.89 -1.08 116.42 127.06 1dg3 h ASP 112 Ca 0.00 0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.45 1dg3 h ASP 112 Cb 0.76 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.52 1dg3 h ASP 112 CO 0.00 0.23 -0.40 0.28 -1.57 0.00 0.00 179.24 177.78 1dg3 h SER 113 N 0.63 0.18 -0.42 6.45 0.02 -1.86 -2.52 113.55 116.02 1dg3 h SER 113 Ca 0.46 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.21 1dg3 h SER 113 Cb 0.63 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1dg3 h SER 113 CO -0.35 0.56 -0.22 -0.50 -1.14 0.00 0.00 176.83 175.18 1dg3 h TRP 114 N 0.15 1.04 -0.57 3.45 -0.00 -1.58 -2.10 115.95 116.34 1dg3 h TRP 114 Ca 0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.89 58.63 1dg3 h TRP 114 Cb 0.77 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.67 1dg3 h TRP 114 CO 0.01 1.06 0.30 0.82 -0.00 0.00 0.00 178.44 180.63 1dg3 h ILE 115 N 0.73 1.19 -0.14 1.49 1.08 -1.02 0.49 117.51 121.33 1dg3 h ILE 115 Ca 0.09 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1dg3 h ILE 115 Cb 0.79 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1dg3 h ILE 115 CO 0.07 0.21 0.07 0.15 -0.69 0.00 0.00 178.15 177.95 1dg3 h PHE 116 N 0.76 0.21 -0.88 1.37 3.57 -1.42 -1.59 116.94 118.95 1dg3 h PHE 116 Ca 0.20 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1dg3 h PHE 116 Cb 0.06 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1dg3 h PHE 116 CO -0.01 0.25 0.47 0.00 -2.23 0.00 0.00 178.31 176.79 1dg3 h ALA 117 N 0.93 1.13 -0.50 2.41 0.00 -1.15 -2.10 119.26 119.99 1dg3 h ALA 117 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1dg3 h ALA 117 Cb 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1dg3 h ALA 117 CO -0.01 0.65 -0.06 -0.07 0.00 0.00 0.00 179.25 179.77 1dg3 h LEU 118 N 1.24 0.87 -1.23 0.00 3.38 -0.76 -1.54 115.31 117.27 1dg3 h LEU 118 Ca 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1dg3 h LEU 118 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1dg3 h LEU 118 CO -0.05 0.97 0.24 0.00 0.09 0.00 0.00 178.44 179.68 1dg3 h ALA 119 N 1.12 1.40 -0.09 1.53 0.00 -0.87 -1.14 119.26 121.21 1dg3 h ALA 119 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dg3 h ALA 119 Cb 0.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dg3 h ALA 119 CO 0.03 0.46 -0.01 0.28 0.00 0.00 0.00 179.25 180.01 1dg3 h VAL 120 N 0.76 1.27 -0.15 0.00 2.07 -0.91 -3.08 116.25 116.21 1dg3 h VAL 120 Ca 0.19 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1dg3 h VAL 120 Cb 0.12 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1dg3 h VAL 120 CO -0.02 0.24 -0.17 -0.07 0.02 0.00 0.00 177.57 177.57 1dg3 h LEU 121 N -0.13 0.23 -0.09 2.57 3.38 -0.90 -3.23 115.31 117.14 1dg3 h LEU 121 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dg3 h LEU 121 Cb 0.39 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1dg3 h LEU 121 CO 0.01 0.42 -0.52 0.18 0.09 0.00 0.00 178.44 178.62 1dg3 n LEU 122 N -4.24 0.66 -4.84 1.67 4.77 -0.47 -4.99 117.00 109.56 1dg3 n LEU 122 Ca -0.01 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.65 1dg3 n LEU 122 Cb 0.30 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1dg3 n LEU 122 CO 0.38 0.15 -0.09 -0.94 -1.33 0.00 0.00 177.39 175.57 1dg3 s SER 123 N -2.92 5.28 -0.19 -1.43 1.04 -1.17 -4.87 113.70 109.44 1dg3 s SER 123 Ca 0.13 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 1dg3 s SER 123 Cb 0.18 -0.99 -0.21 0.00 0.10 0.00 0.00 66.02 65.09 1dg3 s SER 123 CO 0.69 -0.33 0.07 -1.20 0.98 0.00 0.00 173.24 173.45 1dg3 n SER 124 N -1.35 2.05 -3.99 7.02 7.64 0.15 -4.27 113.62 120.87 1dg3 n SER 124 Ca -0.02 0.06 -0.20 0.00 1.01 0.00 0.00 58.87 59.72 1dg3 n SER 124 Cb 0.60 -0.66 -0.15 0.00 -1.01 0.00 0.00 64.21 62.98 1dg3 n SER 124 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1dg3 s THR 125 N -2.53 0.74 -0.36 0.44 2.01 -0.78 -1.76 115.64 113.39 1dg3 s THR 125 Ca -0.29 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 1dg3 s THR 125 Cb 0.08 -0.66 0.08 0.00 0.01 0.00 0.00 72.50 72.01 1dg3 s THR 125 CO 0.68 0.23 0.11 0.12 -0.69 0.00 0.00 174.62 175.07 1dg3 s PHE 126 N 0.20 3.47 -0.44 4.92 5.36 0.44 -0.91 117.98 131.02 1dg3 s PHE 126 Ca -0.03 -2.24 -0.18 0.00 -0.96 0.00 0.00 56.93 53.52 1dg3 s PHE 126 Cb -0.08 -2.74 0.03 0.00 -0.34 0.00 0.00 43.02 39.88 1dg3 s PHE 126 CO 0.00 -0.90 0.48 0.08 -1.46 0.00 0.00 175.22 173.43 1dg3 s VAL 127 N 1.17 5.04 -0.22 3.12 1.01 0.58 -0.96 120.40 130.14 1dg3 s VAL 127 Ca 0.03 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1dg3 s VAL 127 Cb -0.21 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1dg3 s VAL 127 CO -0.03 -0.51 0.21 -0.47 0.00 0.00 0.00 175.10 174.30 1dg3 s TYR 128 N 2.24 3.35 -0.10 5.22 5.04 0.10 -0.15 117.35 133.06 1dg3 s TYR 128 Ca 0.13 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1dg3 s TYR 128 Cb -0.18 -2.30 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 1dg3 s TYR 128 CO 0.13 0.11 -0.10 -0.80 -1.34 0.00 0.00 175.55 173.55 1dg3 s ASN 129 N 0.88 4.29 0.21 4.32 0.01 0.31 -0.72 114.94 124.24 1dg3 s ASN 129 Ca 0.10 -0.19 -0.10 0.00 -0.71 0.00 0.00 52.86 51.96 1dg3 s ASN 129 Cb -0.13 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 1dg3 s ASN 129 CO 0.04 0.25 0.35 -0.94 -1.51 0.00 0.00 177.10 175.30 1dg3 s SER 130 N -0.16 -0.01 -0.07 -1.22 1.04 -0.76 -4.43 113.70 108.08 1dg3 s SER 130 Ca 0.01 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1dg3 s SER 130 Cb -0.13 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1dg3 s SER 130 CO 0.03 -1.00 -0.01 -0.63 0.98 0.00 0.00 173.24 172.61 1dg3 s ILE 131 N -4.02 4.19 0.00 -1.02 1.01 -1.26 -1.06 121.20 119.05 1dg3 s ILE 131 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1dg3 s ILE 131 Cb 0.02 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1dg3 s ILE 131 CO 0.06 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1dg3 n GLY 132 N 2.01 1.57 3.61 6.18 0.00 0.36 -4.90 105.19 114.02 1dg3 n GLY 132 Ca -0.18 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1dg3 n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dg3 s THR 133 N 0.00 0.85 -0.76 2.61 -4.23 -1.26 -4.19 115.64 108.66 1dg3 s THR 133 Ca 0.00 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.35 1dg3 s THR 133 Cb 0.00 -2.29 0.16 0.00 1.34 0.00 0.00 72.50 71.71 1dg3 s THR 133 CO 0.00 0.00 0.80 -0.63 -0.54 0.00 0.00 174.62 174.25 1dg3 s ILE 134 N -3.07 5.18 0.00 2.99 1.01 -1.26 -4.74 121.20 121.31 1dg3 s ILE 134 Ca 0.17 -1.80 0.00 0.00 0.00 0.00 0.00 60.65 59.02 1dg3 s ILE 134 Cb 0.02 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1dg3 s ILE 134 CO 0.10 -1.14 0.00 -0.46 0.00 0.00 0.00 174.94 173.44 1dg3 n ASN 135 N 5.27 2.00 -0.17 3.58 0.23 -1.26 -4.98 115.26 119.93 1dg3 n ASN 135 Ca 0.07 -0.78 -0.05 0.00 -0.53 0.00 0.00 54.58 53.29 1dg3 n ASN 135 Cb 0.45 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.20 1dg3 n ASN 135 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1dg3 h GLN 136 N 0.00 0.54 -0.90 -3.83 5.75 -2.00 -1.92 115.11 112.74 1dg3 h GLN 136 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1dg3 h GLN 136 Cb 0.00 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 1dg3 h GLN 136 CO 0.00 0.36 0.50 0.37 -2.65 0.00 0.00 178.83 177.41 1dg3 h GLN 137 N 0.55 1.26 -0.56 1.69 4.15 -1.96 -1.63 115.11 118.61 1dg3 h GLN 137 Ca 0.21 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1dg3 h GLN 137 Cb 0.07 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1dg3 h GLN 137 CO -0.12 0.91 0.24 0.00 -1.93 0.00 0.00 178.83 177.93 1dg3 h ALA 138 N 1.28 0.73 -0.39 3.38 0.00 -1.70 -2.45 119.26 120.10 1dg3 h ALA 138 Ca 0.32 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1dg3 h ALA 138 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dg3 h ALA 138 CO -0.05 0.32 -0.29 0.52 0.00 0.00 0.00 179.25 179.75 1dg3 h MET 139 N 0.76 0.85 -0.44 0.00 2.86 -1.10 -2.99 114.93 114.87 1dg3 h MET 139 Ca 0.19 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1dg3 h MET 139 Cb 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1dg3 h MET 139 CO -0.02 1.03 0.11 -0.44 1.06 0.00 0.00 176.91 178.65 1dg3 h ASP 140 N 0.72 0.61 1.15 1.22 3.32 -1.15 -1.50 116.42 120.79 1dg3 h ASP 140 Ca 0.08 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1dg3 h ASP 140 Cb 0.85 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1dg3 h ASP 140 CO 0.07 0.61 -0.02 1.56 -1.72 0.00 0.00 179.24 179.74 1dg3 h GLN 141 N 0.64 0.00 -0.71 3.56 4.20 -1.37 -2.60 115.11 118.83 1dg3 h GLN 141 Ca 0.15 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1dg3 h GLN 141 Cb 0.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1dg3 h GLN 141 CO -0.00 0.02 0.08 -0.11 -0.67 0.00 0.00 178.83 178.14 1dg3 n LEU 142 N -3.11 5.01 0.22 1.46 7.94 -0.57 -4.53 117.00 123.41 1dg3 n LEU 142 Ca 0.01 -2.56 0.18 0.00 -1.11 0.00 0.00 56.01 52.53 1dg3 n LEU 142 Cb 0.34 -0.67 0.85 0.00 0.53 0.00 0.00 43.42 44.48 1dg3 n LEU 142 CO 0.29 0.61 1.15 0.10 -1.11 0.00 0.00 177.39 178.43 1dg3 h TYR 143 N 2.87 0.00 -0.75 1.96 -0.00 -1.40 -2.23 116.97 117.42 1dg3 h TYR 143 Ca 0.08 0.00 0.17 0.00 0.00 0.00 0.00 58.73 58.98 1dg3 h TYR 143 Cb 1.82 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 38.50 1dg3 h TYR 143 CO 0.95 0.00 0.51 1.88 -0.00 0.00 0.00 178.16 181.50 1dg3 h TYR 144 N 0.00 0.32 0.00 0.10 -1.99 -1.87 -0.11 116.97 113.42 1dg3 h TYR 144 Ca 0.08 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1dg3 h TYR 144 Cb 0.58 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 1dg3 h TYR 144 CO 0.00 0.11 -0.07 -0.24 -0.00 0.00 0.00 178.16 177.96 1dg3 h VAL 145 N 0.27 0.82 -0.00 -2.88 3.04 -1.79 -1.31 116.25 114.40 1dg3 h VAL 145 Ca 0.37 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1dg3 h VAL 145 Cb 1.06 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1dg3 h VAL 145 CO -0.09 0.06 -0.03 0.35 -1.01 0.00 0.00 177.57 176.85 1dg3 n THR 146 N -4.14 0.00 0.70 3.17 -2.24 -0.05 -3.31 114.28 108.41 1dg3 n THR 146 Ca -0.03 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1dg3 n THR 146 Cb 0.15 -0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1dg3 n THR 146 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dg3 n GLU 147 N -0.93 1.59 -0.31 -0.78 1.02 -0.50 -4.59 120.64 116.14 1dg3 n GLU 147 Ca 0.18 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1dg3 n GLU 147 Cb 0.22 -1.28 0.14 0.00 -0.02 0.00 0.00 31.44 30.49 1dg3 n GLU 147 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1dg3 h LEU 148 N 2.19 0.85 -2.13 -4.62 3.38 -1.55 -0.85 115.31 112.58 1dg3 h LEU 148 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dg3 h LEU 148 Cb 0.58 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dg3 h LEU 148 CO 0.00 0.55 0.00 0.71 0.09 0.00 0.00 178.44 179.79 1dg3 h THR 149 N 0.98 0.00 0.00 0.22 1.35 -1.84 -1.15 112.91 112.48 1dg3 h THR 149 Ca 0.37 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1dg3 h THR 149 Cb 0.15 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1dg3 h THR 149 CO -0.17 0.00 -0.94 1.41 -0.25 0.00 0.00 175.52 175.57 1dg3 n HIS 150 N -2.80 0.00 0.12 4.73 8.25 -0.38 -4.52 115.22 120.62 1dg3 n HIS 150 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1dg3 n HIS 150 Cb 0.12 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 1dg3 n HIS 150 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1dg3 n ARG 151 N -1.47 3.33 -4.46 -0.41 1.74 -0.70 -5.00 116.66 109.68 1dg3 n ARG 151 Ca 0.04 -0.28 -0.22 0.00 -0.77 0.00 0.00 57.85 56.62 1dg3 n ARG 151 Cb 0.31 -0.80 -0.16 0.00 -1.02 0.00 0.00 32.46 30.79 1dg3 n ARG 151 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dg3 s ILE 152 N -0.82 0.90 -0.07 0.55 1.01 -0.52 -4.00 121.20 118.26 1dg3 s ILE 152 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.31 1dg3 s ILE 152 Cb 0.02 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1dg3 s ILE 152 CO 0.08 0.28 -0.24 -0.60 0.00 0.00 0.00 174.94 174.45 1dg3 s ARG 153 N 0.26 2.64 -0.14 2.79 6.06 -0.83 -4.75 118.95 124.98 1dg3 s ARG 153 Ca -0.05 -0.89 -0.17 0.00 -2.50 0.00 0.00 55.73 52.12 1dg3 s ARG 153 Cb -0.10 -2.20 -0.15 0.00 0.06 0.00 0.00 34.95 32.55 1dg3 s ARG 153 CO 0.01 0.36 0.35 0.77 -2.50 0.00 0.00 175.30 174.29 1dg3 h SER 154 N 6.14 0.00 -2.97 -2.12 0.02 -1.87 -2.35 113.55 110.40 1dg3 h SER 154 Ca -0.30 -0.52 -0.61 0.00 -0.84 0.00 0.00 61.79 59.51 1dg3 h SER 154 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 1dg3 h SER 154 CO 0.47 0.93 -0.41 -0.54 -1.14 0.00 0.00 176.83 176.14 1dg3 s LYS 155 N -2.07 3.53 0.00 3.45 1.02 -1.26 -2.54 119.74 121.88 1dg3 s LYS 155 Ca -0.15 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1dg3 s LYS 155 Cb 0.00 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 1dg3 s LYS 155 CO 0.43 0.59 0.09 0.43 -0.92 0.00 0.00 175.35 175.97 1dg3 n SER 156 N 0.58 0.24 0.00 2.83 7.64 -1.26 -4.92 113.62 118.74 1dg3 n SER 156 Ca -0.07 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1dg3 n SER 156 Cb 0.52 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1dg3 n SER 156 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1dg3 n ASP 167 N 1.46 0.00 0.16 6.43 5.68 -1.26 -5.06 116.55 123.95 1dg3 n ASP 167 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 1dg3 n ASP 167 Cb 0.03 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.58 1dg3 n ASP 167 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1dg3 n SER 168 N 0.00 0.54 0.30 -1.12 3.41 -1.26 -1.68 113.62 113.81 1dg3 n SER 168 Ca 0.00 0.75 0.19 0.00 -0.26 0.00 0.00 58.87 59.56 1dg3 n SER 168 Cb 0.00 -0.82 0.89 0.00 -0.26 0.00 0.00 64.21 64.02 1dg3 n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dg3 h ALA 169 N 1.99 1.00 0.00 7.33 0.00 -2.01 -2.08 119.26 125.49 1dg3 h ALA 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dg3 h ALA 169 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1dg3 h ALA 169 CO 0.00 0.00 -0.52 -0.25 0.00 0.00 0.00 179.25 178.48 1dg3 n ASP 170 N -3.06 0.52 -0.23 0.00 8.00 -0.68 -4.38 116.55 116.72 1dg3 n ASP 170 Ca -0.01 -0.13 0.04 0.00 0.71 0.00 0.00 54.79 55.40 1dg3 n ASP 170 Cb 0.21 0.21 0.15 0.00 -0.02 0.00 0.00 41.12 41.66 1dg3 n ASP 170 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1dg3 h PHE 171 N 0.00 0.14 -0.00 1.24 0.05 -1.53 -1.50 116.94 115.33 1dg3 h PHE 171 Ca 0.00 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1dg3 h PHE 171 Cb 0.56 0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.56 1dg3 h PHE 171 CO 0.00 -0.12 0.01 -0.24 -0.18 0.00 0.00 178.31 177.78 1dg3 h VAL 172 N 0.20 0.10 0.00 -0.55 3.04 -1.73 -0.27 116.25 117.05 1dg3 h VAL 172 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1dg3 h VAL 172 Cb 0.63 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1dg3 h VAL 172 CO -0.52 0.00 0.00 0.77 -1.01 0.00 0.00 177.57 176.81 1dg3 h SER 173 N 0.00 0.00 0.00 3.17 4.64 -1.56 -3.37 113.55 116.43 1dg3 h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dg3 h SER 173 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1dg3 h SER 173 CO -0.00 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.18 1dg3 n PHE 174 N -2.94 0.00 -1.96 4.77 1.16 -0.65 -5.05 117.46 112.79 1dg3 n PHE 174 Ca 0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.27 1dg3 n PHE 174 Cb 0.44 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.34 1dg3 n PHE 174 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1dg3 s PHE 175 N -0.29 2.60 0.79 2.97 0.40 -0.20 -5.02 117.98 119.22 1dg3 s PHE 175 Ca 0.00 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.76 1dg3 s PHE 175 Cb 0.00 -3.25 0.07 0.00 0.51 0.00 0.00 43.02 40.34 1dg3 s PHE 175 CO 0.00 -1.73 1.09 -1.25 0.70 0.00 0.00 175.22 174.04 1dg3 s PRO 176 N -3.71 2.14 0.57 0.24 0.04 -1.26 -4.62 135.00 128.40 1dg3 s PRO 176 Ca 0.70 0.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 1dg3 s PRO 176 Cb -0.23 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1dg3 s PRO 176 CO 0.35 -1.60 1.12 0.16 0.04 0.00 0.00 177.00 177.07 1dg3 s ASP 177 N -3.83 5.61 -0.18 6.66 1.47 -0.72 -4.36 116.67 121.31 1dg3 s ASP 177 Ca 0.61 2.13 -0.07 0.00 1.18 0.00 0.00 52.55 56.40 1dg3 s ASP 177 Cb -0.15 -2.57 -0.04 0.00 -0.34 0.00 0.00 42.92 39.82 1dg3 s ASP 177 CO 0.55 -1.29 0.05 0.12 0.68 0.00 0.00 175.17 175.28 1dg3 s PHE 178 N -1.90 3.21 -0.10 2.11 5.36 0.41 -0.42 117.98 126.66 1dg3 s PHE 178 Ca 0.71 -0.00 0.02 0.00 -0.96 0.00 0.00 56.93 56.70 1dg3 s PHE 178 Cb -0.23 -2.08 0.01 0.00 -0.34 0.00 0.00 43.02 40.39 1dg3 s PHE 178 CO 0.30 0.09 -0.14 0.08 -1.46 0.00 0.00 175.22 174.09 1dg3 s VAL 179 N 0.47 1.38 -0.27 3.12 1.01 -0.13 -0.93 120.40 125.05 1dg3 s VAL 179 Ca 0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1dg3 s VAL 179 Cb -0.13 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1dg3 s VAL 179 CO 0.01 0.42 0.02 0.86 0.00 0.00 0.00 175.10 176.41 1dg3 s TRP 180 N 0.95 3.09 -0.20 5.22 -0.11 0.03 0.02 118.94 127.94 1dg3 s TRP 180 Ca -0.08 -1.10 -0.08 0.00 1.22 0.00 0.00 56.10 56.05 1dg3 s TRP 180 Cb -0.15 -2.17 -0.04 0.00 -1.50 0.00 0.00 33.47 29.60 1dg3 s TRP 180 CO -0.01 -0.60 0.09 0.95 -4.62 0.00 0.00 176.95 172.76 1dg3 s THR 181 N 1.45 4.99 -0.36 5.86 -4.23 0.10 -1.68 115.64 121.77 1dg3 s THR 181 Ca 0.03 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1dg3 s THR 181 Cb -0.16 -3.27 0.07 0.00 1.34 0.00 0.00 72.50 70.47 1dg3 s THR 181 CO -0.00 0.44 0.14 -0.76 -0.54 0.00 0.00 174.62 173.89 1dg3 s LEU 182 N 0.51 4.63 0.31 4.79 1.43 0.30 -1.83 118.68 128.81 1dg3 s LEU 182 Ca 0.05 -1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 51.45 1dg3 s LEU 182 Cb -0.12 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 1dg3 s LEU 182 CO 0.00 -0.41 0.86 -0.13 0.23 0.00 0.00 176.35 176.90 1dg3 s ARG 183 N 1.30 4.37 -1.47 1.70 1.81 -0.22 -0.91 118.95 125.53 1dg3 s ARG 183 Ca 0.01 1.09 -0.12 0.00 -1.72 0.00 0.00 55.73 54.99 1dg3 s ARG 183 Cb -0.21 -2.69 0.06 0.00 -0.45 0.00 0.00 34.95 31.66 1dg3 s ARG 183 CO -0.00 0.25 1.03 -0.25 -0.68 0.00 0.00 175.30 175.65 1dg3 n ASP 184 N 0.32 -4.99 -4.68 0.23 8.00 -0.79 -0.49 116.55 114.15 1dg3 n ASP 184 Ca 0.02 -0.72 -0.51 0.00 0.71 0.00 0.00 54.79 54.29 1dg3 n ASP 184 Cb 0.51 -4.22 -0.05 0.00 -0.02 0.00 0.00 41.12 37.34 1dg3 n ASP 184 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1dg3 n PHE 185 N -4.75 2.15 0.12 1.24 7.35 0.38 -4.13 117.46 119.82 1dg3 n PHE 185 Ca 0.01 0.26 0.11 0.00 -0.76 0.00 0.00 57.45 57.08 1dg3 n PHE 185 Cb 0.54 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 37.81 1dg3 n PHE 185 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1dg3 n SER 186 N 5.32 0.78 -4.88 -2.13 3.41 -1.26 -4.83 113.62 110.04 1dg3 n SER 186 Ca 0.22 0.29 -0.30 0.00 -0.26 0.00 0.00 58.87 58.82 1dg3 n SER 186 Cb 0.24 0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 64.74 1dg3 n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dg3 s LEU 187 N -5.24 3.53 -0.37 1.04 1.43 -1.26 -5.05 118.68 112.76 1dg3 s LEU 187 Ca -0.01 1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 1dg3 s LEU 187 Cb 0.10 -4.23 0.09 0.00 0.03 0.00 0.00 46.19 42.18 1dg3 s LEU 187 CO 0.80 -0.65 0.12 1.51 0.23 0.00 0.00 176.35 178.36 1dg3 s ASP 188 N -3.75 5.04 0.08 2.29 1.47 -1.26 -5.15 116.67 115.38 1dg3 s ASP 188 Ca 0.53 -1.90 0.00 0.00 1.18 0.00 0.00 52.55 52.36 1dg3 s ASP 188 Cb -0.10 -1.75 0.00 0.00 -0.34 0.00 0.00 42.92 40.73 1dg3 s ASP 188 CO 0.43 -0.44 0.00 0.18 0.68 0.00 0.00 175.17 176.02 1dg3 n LEU 189 N 4.51 0.00 -1.15 2.11 4.77 -1.26 -5.08 117.00 120.89 1dg3 n LEU 189 Ca -0.03 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1dg3 n LEU 189 Cb 0.42 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1dg3 n LEU 189 CO 0.29 -0.05 -0.39 0.00 -1.33 0.00 0.00 177.39 175.91 1dg3 n GLN 194 N -0.10 -2.19 -0.60 3.23 6.02 -1.26 -4.10 117.38 118.37 1dg3 n GLN 194 Ca 0.00 1.78 0.47 0.00 -0.01 0.00 0.00 57.00 59.23 1dg3 n GLN 194 Cb 0.00 -2.66 0.74 0.00 1.02 0.00 0.00 30.24 29.34 1dg3 n GLN 194 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1dg3 n PRO 195 N -3.58 -0.01 0.00 -1.09 -0.02 -1.26 -4.29 135.00 124.75 1dg3 n PRO 195 Ca -0.05 1.09 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1dg3 n PRO 195 Cb 0.41 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1dg3 n PRO 195 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1dg3 n LEU 196 N -4.12 0.00 -4.93 2.45 -0.00 -1.26 -5.12 117.00 104.01 1dg3 n LEU 196 Ca 0.41 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 56.17 1dg3 n LEU 196 Cb 1.78 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 45.22 1dg3 n LEU 196 CO 0.33 0.00 0.44 0.42 -0.00 0.00 0.00 177.39 178.59 1dg3 s THR 197 N 0.00 3.59 0.20 1.96 -4.23 -1.26 -4.66 115.64 111.24 1dg3 s THR 197 Ca 0.00 -0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1dg3 s THR 197 Cb 0.00 -3.39 0.13 0.00 1.34 0.00 0.00 72.50 70.58 1dg3 s THR 197 CO 0.00 -0.35 1.78 -0.65 -0.54 0.00 0.00 174.62 174.86 1dg3 h PRO 198 N 0.01 0.51 -0.76 3.99 0.11 -1.99 0.47 132.00 134.33 1dg3 h PRO 198 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dg3 h PRO 198 Cb 1.26 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1dg3 h PRO 198 CO 0.59 0.34 0.46 -0.44 -0.21 0.00 0.00 178.00 178.74 1dg3 h ASP 199 N 0.52 0.91 0.11 -2.05 3.32 -1.95 -0.11 116.42 117.18 1dg3 h ASP 199 Ca 0.28 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1dg3 h ASP 199 Cb 0.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1dg3 h ASP 199 CO -0.23 0.70 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.23 1dg3 h GLU 200 N 1.05 0.40 -0.29 3.56 5.08 -1.72 -0.49 114.58 122.17 1dg3 h GLU 200 Ca 0.27 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1dg3 h GLU 200 Cb -0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1dg3 h GLU 200 CO -0.05 0.76 0.14 -0.92 -1.00 0.00 0.00 179.01 177.94 1dg3 h TYR 201 N 0.33 0.41 -0.45 4.33 3.20 0.20 -1.23 116.97 123.76 1dg3 h TYR 201 Ca 0.03 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1dg3 h TYR 201 Cb 0.90 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1dg3 h TYR 201 CO 0.03 0.37 0.18 1.25 -1.64 0.00 0.00 178.16 178.35 1dg3 h LEU 202 N 0.33 0.62 -0.42 2.82 5.85 -0.78 -0.45 115.31 123.28 1dg3 h LEU 202 Ca 0.10 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1dg3 h LEU 202 Cb 0.11 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1dg3 h LEU 202 CO -0.01 0.61 0.17 0.74 -0.34 0.00 0.00 178.44 179.61 1dg3 h THR 203 N 0.58 0.91 -0.64 1.05 2.02 -0.84 -0.98 112.91 115.01 1dg3 h THR 203 Ca 0.15 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 1dg3 h THR 203 Cb 0.18 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1dg3 h THR 203 CO -0.01 0.06 0.09 1.88 0.37 0.00 0.00 175.52 177.91 1dg3 h TYR 204 N 0.35 1.13 0.00 3.16 0.99 -1.04 -2.55 116.97 119.01 1dg3 h TYR 204 Ca 0.19 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1dg3 h TYR 204 Cb 0.15 -0.31 -0.00 0.00 1.00 0.00 0.00 36.73 37.57 1dg3 h TYR 204 CO -0.13 0.96 -0.06 0.77 -0.00 0.00 0.00 178.16 179.69 1dg3 h SER 205 N 0.99 0.00 -0.33 3.88 0.02 -0.28 -2.14 113.55 115.68 1dg3 h SER 205 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1dg3 h SER 205 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1dg3 h SER 205 CO 0.01 0.06 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 1dg3 n LEU 206 N -3.92 2.10 -4.77 5.07 4.77 -0.45 -4.94 117.00 114.86 1dg3 n LEU 206 Ca -0.03 -0.99 -0.39 0.00 -0.03 0.00 0.00 56.01 54.57 1dg3 n LEU 206 Cb 0.15 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1dg3 n LEU 206 CO 0.30 0.50 0.86 -0.54 -1.33 0.00 0.00 177.39 177.17 1dg3 s LYS 207 N -1.56 4.22 0.56 3.23 -0.14 -0.81 -4.83 119.74 120.41 1dg3 s LYS 207 Ca 0.29 1.90 -0.07 0.00 -1.36 0.00 0.00 55.97 56.73 1dg3 s LYS 207 Cb 0.16 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 1dg3 s LYS 207 CO 0.22 -0.20 0.90 -0.51 -0.76 0.00 0.00 175.35 175.00 1dg3 s LEU 208 N -2.17 3.39 -0.17 3.17 1.43 -1.26 -5.01 118.68 118.07 1dg3 s LEU 208 Ca 0.53 1.06 -0.08 0.00 -1.03 0.00 0.00 54.13 54.61 1dg3 s LEU 208 Cb -0.33 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 1dg3 s LEU 208 CO 0.42 -0.80 0.11 -0.54 0.23 0.00 0.00 176.35 175.77 1dg3 s LYS 209 N -4.96 3.86 0.63 1.70 1.02 -1.26 -5.10 119.74 115.63 1dg3 s LYS 209 Ca 0.51 -0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.16 1dg3 s LYS 209 Cb -0.11 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1dg3 s LYS 209 CO 0.48 0.45 1.03 0.15 -0.92 0.00 0.00 175.35 176.55 1dg3 s LYS 210 N -0.11 3.51 0.00 1.68 1.02 -1.26 -4.93 119.74 119.65 1dg3 s LYS 210 Ca 0.09 0.80 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1dg3 s LYS 210 Cb -0.12 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1dg3 s LYS 210 CO 0.00 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1dg3 n GLY 211 N -2.54 2.63 0.45 -3.33 0.00 -1.26 -4.90 105.19 96.25 1dg3 n GLY 211 Ca 0.06 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1dg3 n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dg3 n THR 212 N 0.85 2.10 -2.14 2.61 -2.24 -1.26 -4.80 114.28 109.40 1dg3 n THR 212 Ca 0.00 -2.34 -0.35 0.00 -2.27 0.00 0.00 64.05 59.09 1dg3 n THR 212 Cb 0.00 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1dg3 n THR 212 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1dg3 s SER 213 N -2.65 5.52 0.24 3.42 1.04 -1.26 -4.84 113.70 115.17 1dg3 s SER 213 Ca 0.37 2.19 -0.05 0.00 0.48 0.00 0.00 55.95 58.94 1dg3 s SER 213 Cb 0.32 -2.58 0.40 0.00 0.10 0.00 0.00 66.02 64.26 1dg3 s SER 213 CO 0.03 -1.36 1.78 -0.61 0.98 0.00 0.00 173.24 174.07 1dg3 h GLN 214 N 0.96 0.64 0.00 4.02 4.15 -2.00 0.07 115.11 122.96 1dg3 h GLN 214 Ca -0.50 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 58.85 1dg3 h GLN 214 Cb 1.27 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 1dg3 h GLN 214 CO 0.56 0.43 -0.19 -0.22 -1.93 0.00 0.00 178.83 177.48 1dg3 h LYS 215 N 0.66 0.00 -0.07 1.69 3.11 -1.99 -2.09 116.57 117.89 1dg3 h LYS 215 Ca 0.39 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 58.12 1dg3 h LYS 215 Cb 0.43 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1dg3 h LYS 215 CO -0.29 0.19 -0.38 -0.44 -2.81 0.00 0.00 179.45 175.72 1dg3 h ASP 216 N 0.00 0.45 -0.17 4.20 5.19 -1.37 -2.03 116.42 122.69 1dg3 h ASP 216 Ca -0.00 -0.66 -0.02 0.00 -0.62 0.00 0.00 57.03 55.72 1dg3 h ASP 216 Cb 0.42 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1dg3 h ASP 216 CO 0.02 1.04 0.05 -0.33 -3.12 0.00 0.00 179.24 176.91 1dg3 h GLU 217 N -0.11 0.35 -0.40 3.56 5.08 -1.13 0.11 114.58 122.04 1dg3 h GLU 217 Ca -0.03 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1dg3 h GLU 217 Cb 1.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1dg3 h GLU 217 CO 0.08 0.33 -0.17 1.15 -1.00 0.00 0.00 179.01 179.40 1dg3 h THR 218 N 0.35 1.26 -0.27 1.13 2.02 -1.32 -0.99 112.91 115.09 1dg3 h THR 218 Ca 0.08 -1.25 -0.19 0.00 0.77 0.00 0.00 66.41 65.82 1dg3 h THR 218 Cb 0.15 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1dg3 h THR 218 CO -0.00 0.42 -0.57 0.15 0.37 0.00 0.00 175.52 175.89 1dg3 h PHE 219 N 0.67 1.09 0.00 3.16 3.57 -0.37 -3.33 116.94 121.74 1dg3 h PHE 219 Ca 0.10 -0.40 -0.19 0.00 3.53 0.00 0.00 57.97 61.01 1dg3 h PHE 219 Cb 0.66 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1dg3 h PHE 219 CO 0.03 1.23 -0.91 -0.91 -2.23 0.00 0.00 178.31 175.53 1dg3 h ASN 220 N 0.64 0.00 -0.10 0.41 2.35 -0.68 -3.39 115.58 114.81 1dg3 h ASN 220 Ca 0.01 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1dg3 h ASN 220 Cb 1.18 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.51 1dg3 h ASN 220 CO 0.13 0.91 -0.37 0.25 -1.65 0.00 0.00 177.43 176.70 1dg3 h LEU 221 N 0.00 -1.16 -1.68 1.61 5.85 -1.29 0.12 115.31 118.76 1dg3 h LEU 221 Ca -0.01 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1dg3 h LEU 221 Cb 1.65 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 43.11 1dg3 h LEU 221 CO 0.12 -0.32 0.27 1.55 -0.34 0.00 0.00 178.44 179.72 1dg3 h PRO 222 N -0.39 0.40 -0.40 5.25 0.13 -1.78 -0.84 132.00 134.37 1dg3 h PRO 222 Ca 0.02 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1dg3 h PRO 222 Cb 0.45 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1dg3 h PRO 222 CO -0.30 0.26 -0.25 0.00 -0.23 0.00 0.00 178.00 177.48 1dg3 h ARG 223 N 0.41 0.87 -0.58 0.86 3.08 -1.60 -1.57 114.38 115.85 1dg3 h ARG 223 Ca 0.17 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1dg3 h ARG 223 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1dg3 h ARG 223 CO -0.04 1.05 0.14 -0.07 -1.07 0.00 0.00 179.97 179.98 1dg3 h LEU 224 N 0.69 0.88 -0.18 3.04 3.38 0.01 -1.72 115.31 121.41 1dg3 h LEU 224 Ca 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1dg3 h LEU 224 Cb 0.82 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1dg3 h LEU 224 CO 0.07 0.89 0.12 0.00 0.09 0.00 0.00 178.44 179.61 1dg3 h ILE 226 N 0.24 1.09 -0.52 0.00 2.04 -1.15 0.01 117.51 119.21 1dg3 h ILE 226 Ca 0.07 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1dg3 h ILE 226 Cb -0.02 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1dg3 h ILE 226 CO -0.01 0.08 0.11 0.03 0.00 0.00 0.00 178.15 178.36 1dg3 h ARG 227 N 0.19 0.81 0.00 2.37 3.08 -1.19 -3.14 114.38 116.50 1dg3 h ARG 227 Ca 0.06 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1dg3 h ARG 227 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1dg3 h ARG 227 CO -0.01 0.74 -1.53 1.63 -1.07 0.00 0.00 179.97 179.73 1dg3 n LYS 228 N -4.27 0.63 -0.01 0.04 5.02 -0.12 -4.56 118.16 114.90 1dg3 n LYS 228 Ca 0.04 0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 1dg3 n LYS 228 Cb 0.23 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1dg3 n LYS 228 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1dg3 n PHE 229 N -2.66 1.10 -3.66 2.13 0.99 -0.02 -4.33 117.46 111.00 1dg3 n PHE 229 Ca -0.08 0.31 -0.36 0.00 -0.00 0.00 0.00 57.45 57.33 1dg3 n PHE 229 Cb 0.72 -1.17 -0.08 0.00 -1.00 0.00 0.00 39.48 37.95 1dg3 n PHE 229 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1dg3 s PHE 230 N -2.58 3.38 0.42 1.38 0.40 -1.19 -3.00 117.98 116.80 1dg3 s PHE 230 Ca -0.12 0.35 0.09 0.00 -0.60 0.00 0.00 56.93 56.65 1dg3 s PHE 230 Cb 0.07 -2.25 0.91 0.00 0.51 0.00 0.00 43.02 42.27 1dg3 s PHE 230 CO 0.80 0.19 2.03 -1.00 0.70 0.00 0.00 175.22 177.94 1dg3 h PRO 231 N 6.99 0.36 -3.93 0.24 0.13 -1.77 -3.44 132.00 130.57 1dg3 h PRO 231 Ca -0.40 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 1dg3 h PRO 231 Cb 1.16 -0.07 -0.21 0.00 0.13 0.00 0.00 31.00 32.01 1dg3 h PRO 231 CO 0.72 0.30 -0.68 0.15 -0.23 0.00 0.00 178.00 178.26 1dg3 s LYS 232 N -5.20 0.33 0.01 0.86 1.02 -1.26 -5.05 119.74 110.45 1dg3 s LYS 232 Ca -0.07 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.36 1dg3 s LYS 232 Cb 0.17 0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.58 1dg3 s LYS 232 CO 0.72 -0.06 -0.12 0.15 -0.92 0.00 0.00 175.35 175.13 1dg3 s LYS 233 N -1.48 0.88 -0.08 1.68 3.01 -1.26 -0.44 119.74 122.05 1dg3 s LYS 233 Ca -0.16 -0.53 -0.10 0.00 -1.01 0.00 0.00 55.97 54.18 1dg3 s LYS 233 Cb -0.10 -0.85 0.02 0.00 -1.01 0.00 0.00 37.83 35.90 1dg3 s LYS 233 CO -0.01 0.22 0.26 0.21 0.51 0.00 0.00 175.35 176.55 1dg3 s LYS 234 N -0.61 0.38 -0.02 1.68 2.47 -0.11 -4.97 119.74 118.56 1dg3 s LYS 234 Ca 0.03 0.21 0.05 0.00 -1.56 0.00 0.00 55.97 54.70 1dg3 s LYS 234 Cb -0.06 0.18 -0.01 0.00 -1.46 0.00 0.00 37.83 36.48 1dg3 s LYS 234 CO 0.00 -0.07 -0.16 0.00 0.16 0.00 0.00 175.35 175.28 1dg3 s PHE 236 N -0.29 1.25 0.09 0.00 0.40 -0.68 -4.37 117.98 114.38 1dg3 s PHE 236 Ca 0.04 -0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1dg3 s PHE 236 Cb -0.07 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 1dg3 s PHE 236 CO -0.00 -0.11 -0.15 0.14 0.70 0.00 0.00 175.22 175.81 1dg3 s VAL 237 N 0.04 3.05 0.03 -0.44 -7.23 -1.26 -0.54 120.40 114.06 1dg3 s VAL 237 Ca -0.02 -1.30 0.04 0.00 -1.81 0.00 0.00 61.98 58.90 1dg3 s VAL 237 Cb -0.09 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1dg3 s VAL 237 CO 0.01 0.18 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.50 1dg3 s PHE 238 N -1.10 1.04 0.66 2.82 0.40 -0.09 -4.93 117.98 116.79 1dg3 s PHE 238 Ca 0.18 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 56.13 1dg3 s PHE 238 Cb -0.11 -0.63 0.06 0.00 0.51 0.00 0.00 43.02 42.86 1dg3 s PHE 238 CO 0.10 0.01 0.94 -0.51 0.70 0.00 0.00 175.22 176.46 1dg3 s ASP 239 N -1.06 4.89 0.50 1.36 1.01 -1.26 -0.47 116.67 121.64 1dg3 s ASP 239 Ca -0.00 0.24 -0.22 0.00 0.71 0.00 0.00 52.55 53.28 1dg3 s ASP 239 Cb -0.07 -0.93 -0.06 0.00 1.01 0.00 0.00 42.92 42.86 1dg3 s ASP 239 CO 0.01 -1.50 1.26 -0.13 0.21 0.00 0.00 175.17 175.02 1dg3 s ARG 240 N -5.10 3.48 0.09 8.23 0.52 -1.26 -4.39 118.95 120.51 1dg3 s ARG 240 Ca 0.60 2.01 -0.24 0.00 -0.52 0.00 0.00 55.73 57.57 1dg3 s ARG 240 Cb -0.10 -2.35 -0.16 0.00 0.52 0.00 0.00 34.95 32.86 1dg3 s ARG 240 CO 0.43 -0.85 1.72 -1.35 0.02 0.00 0.00 175.30 175.27 1dg3 h PRO 241 N 1.80 -0.12 -5.58 3.54 0.11 -1.96 -3.44 132.00 126.35 1dg3 h PRO 241 Ca -0.50 0.01 -0.63 0.00 0.11 0.00 0.00 66.00 64.98 1dg3 h PRO 241 Cb 1.27 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.28 1dg3 h PRO 241 CO 0.59 -0.07 -0.59 0.14 -0.21 0.00 0.00 178.00 177.86 1dg3 s VAL 242 N -6.16 1.86 -0.99 3.15 -7.23 -1.26 -0.52 120.40 109.25 1dg3 s VAL 242 Ca -0.14 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 1dg3 s VAL 242 Cb 0.06 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1dg3 s VAL 242 CO 0.65 0.00 0.85 1.41 -0.31 0.00 0.00 175.10 177.71 1dg3 n HIS 243 N -1.00 -1.99 0.00 2.82 8.25 -1.26 -4.94 115.22 117.09 1dg3 n HIS 243 Ca -0.07 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 1dg3 n HIS 243 Cb 0.67 -4.23 0.00 0.00 1.12 0.00 0.00 29.99 27.55 1dg3 n HIS 243 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1dg3 n GLU 257 N -3.73 0.00 -4.02 -0.41 -0.58 -1.26 -5.06 120.64 105.59 1dg3 n GLU 257 Ca -0.09 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.33 1dg3 n GLU 257 Cb 0.58 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.39 1dg3 n GLU 257 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1dg3 s LEU 258 N 0.00 4.02 0.22 -4.62 1.02 -1.26 -5.06 118.68 113.00 1dg3 s LEU 258 Ca 0.00 0.14 -0.31 0.00 0.02 0.00 0.00 54.13 53.97 1dg3 s LEU 258 Cb 0.00 -2.56 -0.14 0.00 0.02 0.00 0.00 46.19 43.51 1dg3 s LEU 258 CO 0.00 0.21 1.26 0.47 0.02 0.00 0.00 176.35 178.30 1dg3 n ASP 259 N 0.66 2.01 -0.15 2.29 9.92 0.32 -4.84 116.55 126.75 1dg3 n ASP 259 Ca -0.09 1.15 -0.03 0.00 -0.53 0.00 0.00 54.79 55.29 1dg3 n ASP 259 Cb 0.52 -1.33 0.06 0.00 -0.64 0.00 0.00 41.12 39.73 1dg3 n ASP 259 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1dg3 h PRO 260 N 3.53 0.24 -0.79 -0.24 0.13 -1.96 -2.65 132.00 130.27 1dg3 h PRO 260 Ca -0.44 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.83 1dg3 h PRO 260 Cb 1.31 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 1dg3 h PRO 260 CO 0.71 0.16 0.34 0.93 -0.23 0.00 0.00 178.00 179.91 1dg3 h GLU 261 N 0.25 0.47 0.12 0.86 3.07 -1.96 -0.93 114.58 116.45 1dg3 h GLU 261 Ca 0.24 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1dg3 h GLU 261 Cb 0.31 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1dg3 h GLU 261 CO -0.30 0.31 -0.06 0.35 -1.40 0.00 0.00 179.01 177.91 1dg3 h PHE 262 N 0.48 -0.15 -0.94 4.33 3.57 -1.76 -1.30 116.94 121.16 1dg3 h PHE 262 Ca 0.44 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.05 1dg3 h PHE 262 Cb 0.67 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1dg3 h PHE 262 CO -0.15 -0.00 0.60 0.28 -2.23 0.00 0.00 178.31 176.81 1dg3 h VAL 263 N -0.27 0.93 0.00 1.41 2.07 -1.14 -1.15 116.25 118.10 1dg3 h VAL 263 Ca -0.02 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 1dg3 h VAL 263 Cb 0.22 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1dg3 h VAL 263 CO 0.03 0.16 -0.67 1.56 0.02 0.00 0.00 177.57 178.67 1dg3 h GLN 264 N 0.90 0.00 -0.22 1.57 1.08 -1.00 -2.02 115.11 115.42 1dg3 h GLN 264 Ca 0.45 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.46 1dg3 h GLN 264 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1dg3 h GLN 264 CO -0.21 0.67 -0.61 1.96 -0.95 0.00 0.00 178.83 179.69 1dg3 h GLN 265 N 0.00 0.74 -0.16 1.46 4.20 -0.11 -0.83 115.11 120.41 1dg3 h GLN 265 Ca -0.01 -0.50 -0.12 0.00 0.06 0.00 0.00 58.65 58.08 1dg3 h GLN 265 Cb 1.24 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1dg3 h GLN 265 CO 0.09 1.12 -0.43 0.28 -0.67 0.00 0.00 178.83 179.22 1dg3 h VAL 266 N 0.55 1.31 -0.39 -0.54 2.07 -1.21 -1.57 116.25 116.47 1dg3 h VAL 266 Ca -0.00 -1.60 -0.15 0.00 0.82 0.00 0.00 66.70 65.77 1dg3 h VAL 266 Cb 1.20 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1dg3 h VAL 266 CO 0.12 0.49 -0.34 0.00 0.02 0.00 0.00 177.57 177.86 1dg3 h ALA 267 N 1.23 0.57 0.00 1.67 0.00 -1.21 -1.14 119.26 120.38 1dg3 h ALA 267 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1dg3 h ALA 267 Cb 0.89 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1dg3 h ALA 267 CO 0.07 0.64 -0.17 -0.44 0.00 0.00 0.00 179.25 179.36 1dg3 h ASP 268 N 0.74 0.00 0.02 0.00 5.19 -0.93 -1.36 116.42 120.07 1dg3 h ASP 268 Ca 0.07 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1dg3 h ASP 268 Cb 0.94 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1dg3 h ASP 268 CO 0.09 0.17 -0.01 0.15 -3.12 0.00 0.00 179.24 176.52 1dg3 h PHE 269 N 0.00 -0.02 -0.82 4.55 3.57 -0.97 -2.93 116.94 120.31 1dg3 h PHE 269 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dg3 h PHE 269 Cb 0.57 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1dg3 h PHE 269 CO 0.00 0.71 0.53 0.00 -2.23 0.00 0.00 178.31 177.32 1dg3 h SER 271 N 1.11 1.06 -0.33 0.00 0.02 -1.36 -0.23 113.55 113.83 1dg3 h SER 271 Ca 0.30 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1dg3 h SER 271 Cb -0.11 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 1dg3 h SER 271 CO -0.06 0.97 0.16 0.22 -1.14 0.00 0.00 176.83 176.99 1dg3 h TYR 272 N 1.10 0.47 -0.28 3.45 3.20 -1.15 -1.73 116.97 122.03 1dg3 h TYR 272 Ca 0.24 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1dg3 h TYR 272 Cb 0.27 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1dg3 h TYR 272 CO 0.02 0.40 0.05 0.82 -1.64 0.00 0.00 178.16 177.81 1dg3 h ILE 273 N 0.40 1.23 -0.26 1.81 1.08 -1.10 0.21 117.51 120.87 1dg3 h ILE 273 Ca 0.11 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1dg3 h ILE 273 Cb 0.10 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1dg3 h ILE 273 CO -0.02 0.25 0.14 -0.26 -0.69 0.00 0.00 178.15 177.58 1dg3 h PHE 274 N 0.27 0.33 0.00 1.37 0.05 -0.95 -2.08 116.94 115.94 1dg3 h PHE 274 Ca 0.08 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 1dg3 h PHE 274 Cb 0.33 -0.11 -0.00 0.00 2.00 0.00 0.00 35.95 38.17 1dg3 h PHE 274 CO 0.02 0.24 -1.98 0.43 -0.18 0.00 0.00 178.31 176.84 1dg3 n SER 275 N -4.47 0.02 -0.03 2.17 7.64 -0.66 -4.70 113.62 113.60 1dg3 n SER 275 Ca 0.01 0.01 -0.02 0.00 1.01 0.00 0.00 58.87 59.88 1dg3 n SER 275 Cb 0.10 1.94 -0.07 0.00 -1.01 0.00 0.00 64.21 65.17 1dg3 n SER 275 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dg3 n ASN 276 N -2.28 2.99 -4.68 6.43 3.02 0.71 -4.99 115.26 116.45 1dg3 n ASN 276 Ca -0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 1dg3 n ASN 276 Cb 0.58 0.91 -0.03 0.00 -0.61 0.00 0.00 39.78 40.63 1dg3 n ASN 276 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1dg3 s SER 277 N -3.71 6.67 0.53 6.41 0.01 -0.79 -4.99 113.70 117.84 1dg3 s SER 277 Ca -0.04 2.36 -0.06 0.00 1.31 0.00 0.00 55.95 59.52 1dg3 s SER 277 Cb 0.03 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 1dg3 s SER 277 CO 0.34 -0.85 0.86 -0.54 0.41 0.00 0.00 173.24 173.46 1dg3 s LYS 278 N 2.81 3.39 0.32 12.44 1.02 -1.26 -4.97 119.74 133.49 1dg3 s LYS 278 Ca 0.72 0.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.66 1dg3 s LYS 278 Cb -0.37 -2.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.54 1dg3 s LYS 278 CO 0.31 -0.40 1.46 0.99 -0.92 0.00 0.00 175.35 176.79 1dg3 s THR 279 N -2.89 2.33 0.12 2.17 2.01 -1.26 -4.38 115.64 113.74 1dg3 s THR 279 Ca 0.50 0.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.50 1dg3 s THR 279 Cb -0.10 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 1dg3 s THR 279 CO 0.47 0.06 1.43 -0.75 -0.69 0.00 0.00 174.62 175.14 1dg3 s LYS 280 N -1.32 4.30 0.08 4.92 2.47 0.09 -4.95 119.74 125.33 1dg3 s LYS 280 Ca 0.56 2.13 0.03 0.00 -1.56 0.00 0.00 55.97 57.12 1dg3 s LYS 280 Cb -0.44 -3.24 -0.03 0.00 -1.46 0.00 0.00 37.83 32.65 1dg3 s LYS 280 CO 0.53 -0.48 -0.08 0.95 0.16 0.00 0.00 175.35 176.43 1dg3 s THR 281 N 1.16 0.73 0.40 3.43 -4.23 -1.26 -0.79 115.64 115.07 1dg3 s THR 281 Ca 0.66 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1dg3 s THR 281 Cb -0.38 -1.16 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 1dg3 s THR 281 CO 0.30 -0.57 0.18 -0.76 -0.54 0.00 0.00 174.62 173.24 1dg3 s LEU 282 N -2.26 3.16 0.20 4.79 1.43 -0.02 -4.94 118.68 121.03 1dg3 s LEU 282 Ca 0.01 -0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 51.81 1dg3 s LEU 282 Cb -0.03 -1.54 -0.16 0.00 0.03 0.00 0.00 46.19 44.48 1dg3 s LEU 282 CO -0.01 -0.49 0.92 -1.54 0.23 0.00 0.00 176.35 175.45 1dg3 n SER 283 N -1.23 0.41 0.00 2.29 3.41 -1.26 -1.63 113.62 115.60 1dg3 n SER 283 Ca -0.01 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1dg3 n SER 283 Cb 0.64 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1dg3 n SER 283 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dg3 n GLY 284 N 1.74 0.74 2.09 5.00 0.00 -1.26 -4.01 105.19 109.49 1dg3 n GLY 284 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1dg3 n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dg3 n GLY 285 N -2.15 0.46 3.66 -0.02 0.00 -0.65 -4.99 105.19 101.50 1dg3 n GLY 285 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 1dg3 n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dg3 s ILE 286 N -2.15 4.13 -0.11 -0.61 1.01 -0.94 -4.85 121.20 117.68 1dg3 s ILE 286 Ca 0.00 1.37 -0.25 0.00 0.00 0.00 0.00 60.65 61.77 1dg3 s ILE 286 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1dg3 s ILE 286 CO 0.00 -0.12 0.79 -1.10 0.00 0.00 0.00 174.94 174.50 1dg3 s GLN 287 N 3.62 4.39 -0.17 2.79 -0.21 -1.26 -0.84 119.66 127.97 1dg3 s GLN 287 Ca 0.59 0.99 -0.29 0.00 0.02 0.00 0.00 55.36 56.67 1dg3 s GLN 287 Cb -0.24 -3.51 -0.00 0.00 1.00 0.00 0.00 33.01 30.26 1dg3 s GLN 287 CO 0.18 -0.12 1.09 0.08 -2.12 0.00 0.00 175.29 174.40 1dg3 s VAL 288 N 1.43 4.58 0.09 1.09 1.01 0.03 -4.94 120.40 123.68 1dg3 s VAL 288 Ca 0.39 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.27 1dg3 s VAL 288 Cb -0.18 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1dg3 s VAL 288 CO 0.17 -0.11 0.04 -0.46 0.00 0.00 0.00 175.10 174.74 1dg3 n ASN 289 N 5.93 1.76 0.10 3.32 6.94 -1.26 -0.53 115.26 131.52 1dg3 n ASN 289 Ca 0.11 -1.37 -0.14 0.00 -0.02 0.00 0.00 54.58 53.16 1dg3 n ASN 289 Cb 0.46 0.03 -0.08 0.00 -2.36 0.00 0.00 39.78 37.84 1dg3 n ASN 289 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1dg3 h GLY 290 N 0.17 -0.87 1.56 4.83 0.00 -0.78 0.34 103.07 108.31 1dg3 h GLY 290 Ca -0.07 0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.79 1dg3 h GLY 290 CO 0.11 -0.26 0.29 -2.55 0.00 0.00 0.00 176.54 174.13 1dg3 h PRO 291 N -0.65 0.58 -0.28 4.80 0.11 -1.67 0.93 132.00 135.82 1dg3 h PRO 291 Ca 0.02 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 1dg3 h PRO 291 Cb 0.69 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1dg3 h PRO 291 CO -0.27 0.38 -0.49 0.00 -0.21 0.00 0.00 178.00 177.42 1dg3 h ARG 292 N 0.60 0.82 -0.54 1.05 3.08 -1.83 -1.52 114.38 116.03 1dg3 h ARG 292 Ca 0.16 -0.51 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 1dg3 h ARG 292 Cb -0.06 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1dg3 h ARG 292 CO -0.04 1.14 0.06 1.25 -1.07 0.00 0.00 179.97 181.32 1dg3 h LEU 293 N 0.58 0.88 -0.58 3.04 5.85 -0.25 -1.53 115.31 123.31 1dg3 h LEU 293 Ca 0.02 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.55 1dg3 h LEU 293 Cb 1.09 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 1dg3 h LEU 293 CO 0.11 0.94 0.21 -0.08 -0.34 0.00 0.00 178.44 179.28 1dg3 h GLU 294 N 0.80 0.38 -0.12 1.25 4.81 -0.76 -0.47 114.58 120.47 1dg3 h GLU 294 Ca 0.16 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1dg3 h GLU 294 Cb 0.45 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1dg3 h GLU 294 CO 0.02 0.25 0.06 1.03 -0.73 0.00 0.00 179.01 179.63 1dg3 h SER 295 N 0.39 0.09 -0.58 1.04 0.87 -0.79 -1.74 113.55 112.82 1dg3 h SER 295 Ca 0.29 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.90 1dg3 h SER 295 Cb 0.34 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 1dg3 h SER 295 CO -0.29 0.07 0.30 -0.07 -0.53 0.00 0.00 176.83 176.31 1dg3 h LEU 296 N 0.12 0.44 -0.03 2.23 3.38 -0.73 -0.03 115.31 120.69 1dg3 h LEU 296 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1dg3 h LEU 296 Cb 0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1dg3 h LEU 296 CO -0.03 0.30 0.02 0.58 0.09 0.00 0.00 178.44 179.39 1dg3 h VAL 297 N 0.58 1.02 -0.52 1.22 2.07 -0.83 -0.94 116.25 118.85 1dg3 h VAL 297 Ca 0.26 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1dg3 h VAL 297 Cb 0.16 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1dg3 h VAL 297 CO -0.17 0.02 0.29 -0.07 0.02 0.00 0.00 177.57 177.66 1dg3 h LEU 298 N 0.03 0.65 -0.19 2.57 3.38 -1.01 -0.45 115.31 120.29 1dg3 h LEU 298 Ca 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1dg3 h LEU 298 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1dg3 h LEU 298 CO -0.00 0.54 0.09 0.74 0.09 0.00 0.00 178.44 179.90 1dg3 h THR 299 N 0.70 1.13 -0.41 0.22 2.02 -0.86 0.67 112.91 116.39 1dg3 h THR 299 Ca 0.19 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1dg3 h THR 299 Cb 0.03 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1dg3 h THR 299 CO -0.03 0.13 -0.26 1.88 0.37 0.00 0.00 175.52 177.61 1dg3 h TYR 300 N 0.17 1.05 -0.34 3.16 0.99 -1.09 -1.19 116.97 119.72 1dg3 h TYR 300 Ca 0.06 -0.28 -0.13 0.00 2.00 0.00 0.00 58.73 60.39 1dg3 h TYR 300 Cb 0.12 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.61 1dg3 h TYR 300 CO -0.03 1.08 -0.29 0.28 -0.00 0.00 0.00 178.16 179.20 1dg3 h VAL 301 N 0.72 1.29 -0.52 -2.88 2.07 -1.04 -2.48 116.25 113.39 1dg3 h VAL 301 Ca 0.08 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1dg3 h VAL 301 Cb 0.83 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1dg3 h VAL 301 CO 0.07 0.48 0.10 0.78 0.02 0.00 0.00 177.57 179.02 1dg3 h ASN 302 N 0.58 0.76 -0.19 0.57 2.35 -0.84 -0.27 115.58 118.56 1dg3 h ASN 302 Ca 0.06 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1dg3 h ASN 302 Cb 0.87 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1dg3 h ASN 302 CO 0.08 0.77 0.12 0.00 -1.65 0.00 0.00 177.43 176.74 1dg3 h ALA 303 N 1.33 0.24 -0.24 -0.83 0.00 -1.08 -1.19 119.26 117.48 1dg3 h ALA 303 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1dg3 h ALA 303 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1dg3 h ALA 303 CO 0.00 -0.27 0.05 0.82 0.00 0.00 0.00 179.25 179.85 1dg3 h ILE 304 N 0.23 1.22 0.00 0.00 2.04 -1.12 0.30 117.51 120.18 1dg3 h ILE 304 Ca 0.07 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1dg3 h ILE 304 Cb -0.00 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1dg3 h ILE 304 CO -0.01 0.23 0.00 -1.20 0.00 0.00 0.00 178.15 177.17 1dg3 n SER 305 N -4.71 0.00 -0.79 1.72 7.64 -0.14 -1.63 113.62 115.71 1dg3 n SER 305 Ca -0.03 0.23 0.08 0.00 1.01 0.00 0.00 58.87 60.15 1dg3 n SER 305 Cb 0.19 -0.35 0.17 0.00 -1.01 0.00 0.00 64.21 63.21 1dg3 n SER 305 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1dg3 n SER 306 N -1.35 2.98 -0.03 6.43 7.64 -0.46 -4.96 113.62 123.86 1dg3 n SER 306 Ca 0.05 -1.90 -0.00 0.00 1.01 0.00 0.00 58.87 58.03 1dg3 n SER 306 Cb 0.11 -0.23 -0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1dg3 n SER 306 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dg3 n GLY 307 N 0.86 0.47 3.53 0.23 0.00 -0.65 -5.03 105.19 104.60 1dg3 n GLY 307 Ca 0.14 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1dg3 n GLY 307 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dg3 n ASP 308 N 0.38 2.58 -4.80 1.61 8.00 0.04 -5.02 116.55 119.34 1dg3 n ASP 308 Ca -0.00 -2.73 -0.36 0.00 0.71 0.00 0.00 54.79 52.41 1dg3 n ASP 308 Cb 0.04 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 1dg3 n ASP 308 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dg3 s LEU 309 N 0.00 4.11 0.16 0.64 1.43 -1.26 -3.82 118.68 119.93 1dg3 s LEU 309 Ca 0.31 0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 53.43 1dg3 s LEU 309 Cb -0.02 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 44.10 1dg3 s LEU 309 CO 0.19 0.38 1.72 -2.84 0.23 0.00 0.00 176.35 176.03 1dg3 s PRO 310 N -0.84 4.15 -0.17 1.29 0.02 -1.26 -4.81 135.00 133.39 1dg3 s PRO 310 Ca 0.13 2.53 0.01 0.00 0.02 0.00 0.00 61.00 63.69 1dg3 s PRO 310 Cb -0.12 -3.30 0.03 0.00 0.02 0.00 0.00 34.50 31.13 1dg3 s PRO 310 CO 0.03 -0.75 -0.14 0.00 -0.33 0.00 0.00 177.00 175.81 1dg3 h MET 312 N 8.01 0.26 -0.74 0.00 4.05 -1.57 -1.42 114.93 123.52 1dg3 h MET 312 Ca -0.37 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.02 1dg3 h MET 312 Cb 1.13 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.83 1dg3 h MET 312 CO 0.53 0.17 0.39 1.49 0.23 0.00 0.00 176.91 179.73 1dg3 h GLU 313 N 0.27 1.04 -0.83 0.39 4.81 -1.75 -2.10 114.58 116.41 1dg3 h GLU 313 Ca 0.20 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1dg3 h GLU 313 Cb 0.21 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1dg3 h GLU 313 CO -0.23 0.78 0.45 -0.91 -0.73 0.00 0.00 179.01 178.38 1dg3 h ASN 314 N 1.02 1.04 -0.58 1.04 -0.26 -1.76 -0.87 115.58 115.20 1dg3 h ASN 314 Ca 0.26 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1dg3 h ASN 314 Cb 0.06 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.02 1dg3 h ASN 314 CO -0.04 0.84 0.28 0.00 -1.06 0.00 0.00 177.43 177.45 1dg3 h ALA 315 N 1.33 0.75 -0.46 -0.83 0.00 -0.75 -0.99 119.26 118.32 1dg3 h ALA 315 Ca 0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1dg3 h ALA 315 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1dg3 h ALA 315 CO -0.05 0.31 0.14 0.28 0.00 0.00 0.00 179.25 179.93 1dg3 h VAL 316 N 0.79 1.23 -0.48 0.00 2.07 -0.90 -2.09 116.25 116.86 1dg3 h VAL 316 Ca 0.20 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1dg3 h VAL 316 Cb 0.11 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1dg3 h VAL 316 CO -0.03 0.27 0.16 -0.07 0.02 0.00 0.00 177.57 177.93 1dg3 h LEU 317 N 0.60 0.64 -0.36 2.57 3.38 -0.91 -0.41 115.31 120.82 1dg3 h LEU 317 Ca 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1dg3 h LEU 317 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1dg3 h LEU 317 CO -0.00 0.60 -0.01 0.00 0.09 0.00 0.00 178.44 179.12 1dg3 h ALA 318 N 1.49 0.49 -0.75 1.53 0.00 -0.96 -2.20 119.26 118.86 1dg3 h ALA 318 Ca 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1dg3 h ALA 318 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1dg3 h ALA 318 CO -0.01 0.27 0.31 1.25 0.00 0.00 0.00 179.25 181.07 1dg3 h LEU 319 N 0.46 1.02 -0.85 0.00 5.85 -1.03 -2.83 115.31 117.93 1dg3 h LEU 319 Ca 0.10 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1dg3 h LEU 319 Cb 0.48 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1dg3 h LEU 319 CO 0.02 0.91 0.54 0.00 -0.34 0.00 0.00 178.44 179.56 1dg3 h ALA 320 N 1.16 1.13 -0.76 1.25 0.00 -0.79 -0.70 119.26 120.54 1dg3 h ALA 320 Ca 0.25 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1dg3 h ALA 320 Cb 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1dg3 h ALA 320 CO -0.02 0.34 0.47 1.96 0.00 0.00 0.00 179.25 181.99 1dg3 h GLN 321 N 1.02 0.87 0.14 0.00 1.08 -1.15 0.22 115.11 117.29 1dg3 h GLN 321 Ca 0.35 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1dg3 h GLN 321 Cb 0.07 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1dg3 h GLN 321 CO -0.14 0.58 -0.07 0.82 -0.95 0.00 0.00 178.83 179.07 1dg3 h ILE 322 N 0.90 1.02 -0.06 2.54 2.04 -1.38 -2.93 117.51 119.64 1dg3 h ILE 322 Ca 0.32 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 1dg3 h ILE 322 Cb 0.08 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1dg3 h ILE 322 CO -0.14 0.23 -0.44 -0.33 0.00 0.00 0.00 178.15 177.47 1dg3 h GLU 323 N -0.71 0.14 -0.12 2.37 5.08 -1.03 -2.31 114.58 118.00 1dg3 h GLU 323 Ca -0.02 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1dg3 h GLU 323 Cb 0.52 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1dg3 h GLU 323 CO 0.03 0.56 -0.64 -0.91 -1.00 0.00 0.00 179.01 177.05 1dg3 h ASN 324 N 0.11 0.52 -0.49 1.42 2.35 -0.67 0.51 115.58 119.33 1dg3 h ASN 324 Ca 0.01 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.41 1dg3 h ASN 324 Cb 0.83 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1dg3 h ASN 324 CO 0.06 1.02 0.14 -1.28 -1.65 0.00 0.00 177.43 175.72 1dg3 h SER 325 N 0.33 0.73 -0.11 5.81 0.87 -1.34 -2.00 113.55 117.84 1dg3 h SER 325 Ca -0.01 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.25 1dg3 h SER 325 Cb 1.19 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1dg3 h SER 325 CO 0.11 0.75 -0.16 0.00 -0.53 0.00 0.00 176.83 177.01 1dg3 h ALA 326 N 1.00 1.22 -0.74 6.23 0.00 -1.27 -2.85 119.26 122.84 1dg3 h ALA 326 Ca 0.16 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1dg3 h ALA 326 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1dg3 h ALA 326 CO -0.00 0.51 0.25 0.00 0.00 0.00 0.00 179.25 180.00 1dg3 h ALA 327 N 1.40 1.05 -0.59 0.00 0.00 -0.40 -0.77 119.26 119.94 1dg3 h ALA 327 Ca 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1dg3 h ALA 327 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1dg3 h ALA 327 CO 0.03 0.65 0.19 0.28 0.00 0.00 0.00 179.25 180.41 1dg3 h VAL 328 N 1.09 1.24 -0.37 0.00 2.07 -1.16 -1.15 116.25 117.97 1dg3 h VAL 328 Ca 0.24 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1dg3 h VAL 328 Cb 0.27 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1dg3 h VAL 328 CO -0.01 0.30 0.11 1.56 0.02 0.00 0.00 177.57 179.55 1dg3 h GLN 329 N 0.83 0.57 -0.88 1.57 1.08 -1.29 -0.99 115.11 116.00 1dg3 h GLN 329 Ca 0.19 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1dg3 h GLN 329 Cb 0.27 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 1dg3 h GLN 329 CO -0.01 0.59 0.46 -0.22 -0.95 0.00 0.00 178.83 178.70 1dg3 h LYS 330 N 0.45 1.24 -0.23 1.46 3.64 -1.00 -0.18 116.57 121.94 1dg3 h LYS 330 Ca 0.12 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1dg3 h LYS 330 Cb 0.26 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1dg3 h LYS 330 CO -0.00 0.92 0.05 0.00 -2.27 0.00 0.00 179.45 178.15 1dg3 h ALA 331 N 1.27 0.31 -0.60 5.00 0.00 -0.92 -1.09 119.26 123.23 1dg3 h ALA 331 Ca 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1dg3 h ALA 331 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1dg3 h ALA 331 CO -0.05 -0.03 0.13 0.82 0.00 0.00 0.00 179.25 180.12 1dg3 h ILE 332 N 0.20 1.24 -0.78 0.00 1.08 -0.94 -1.25 117.51 117.06 1dg3 h ILE 332 Ca 0.07 -0.91 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 1dg3 h ILE 332 Cb 0.29 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1dg3 h ILE 332 CO 0.00 0.34 0.33 0.00 -0.69 0.00 0.00 178.15 178.14 1dg3 h ALA 333 N 1.23 1.01 -0.56 1.87 0.00 -0.85 -0.83 119.26 121.12 1dg3 h ALA 333 Ca 0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1dg3 h ALA 333 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dg3 h ALA 333 CO 0.00 0.61 0.05 1.25 0.00 0.00 0.00 179.25 181.16 1dg3 h HIS 334 N 1.12 1.04 0.00 0.00 -0.00 -0.72 -1.97 115.15 114.62 1dg3 h HIS 334 Ca 0.26 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1dg3 h HIS 334 Cb 0.18 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1dg3 h HIS 334 CO 0.02 0.93 -0.00 -0.92 -0.00 0.00 0.00 177.93 177.95 1dg3 h TYR 335 N 0.85 -0.01 -0.75 5.26 3.20 -0.81 -1.95 116.97 122.77 1dg3 h TYR 335 Ca 0.17 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.08 1dg3 h TYR 335 Cb 0.48 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1dg3 h TYR 335 CO 0.04 0.04 0.45 0.93 -1.64 0.00 0.00 178.16 177.98 1dg3 h GLU 336 N -0.05 0.83 0.30 1.82 5.08 -1.08 -0.79 114.58 120.69 1dg3 h GLU 336 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1dg3 h GLU 336 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1dg3 h GLU 336 CO 0.00 0.55 -0.14 0.37 -1.00 0.00 0.00 179.01 178.79 1dg3 h GLN 337 N 0.86 -0.39 0.05 2.33 4.15 -1.19 0.67 115.11 121.58 1dg3 h GLN 337 Ca 0.32 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1dg3 h GLN 337 Cb 0.11 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1dg3 h GLN 337 CO -0.15 -0.24 -0.05 1.96 -1.93 0.00 0.00 178.83 178.42 1dg3 h GLN 338 N -0.43 -0.11 -0.19 1.69 1.08 -1.09 -2.25 115.11 113.81 1dg3 h GLN 338 Ca -0.04 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1dg3 h GLN 338 Cb 0.33 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1dg3 h GLN 338 CO 0.07 -0.07 -0.06 0.52 -0.95 0.00 0.00 178.83 178.34 1dg3 h MET 339 N -0.11 0.29 0.00 1.46 2.86 -1.14 0.18 114.93 118.47 1dg3 h MET 339 Ca 0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1dg3 h MET 339 Cb 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1dg3 h MET 339 CO -0.02 0.37 -0.29 0.78 1.06 0.00 0.00 176.91 178.81 1dg3 h GLY 340 N 0.67 0.00 0.00 8.32 0.00 -0.45 -1.53 103.07 110.07 1dg3 h GLY 340 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1dg3 h GLY 340 CO 0.01 0.00 -2.05 0.61 0.00 0.00 0.00 176.54 175.11 1dg3 n GLN 341 N -3.75 0.66 0.00 4.80 10.64 -0.85 -4.51 117.38 124.37 1dg3 n GLN 341 Ca -0.01 -0.17 0.09 0.00 -1.83 0.00 0.00 57.00 55.08 1dg3 n GLN 341 Cb 0.39 -1.51 -0.08 0.00 -0.86 0.00 0.00 30.24 28.18 1dg3 n GLN 341 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1dg3 n LYS 342 N -2.33 1.19 -4.29 2.61 5.02 -0.01 -4.95 118.16 115.40 1dg3 n LYS 342 Ca -0.09 -0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 55.65 1dg3 n LYS 342 Cb 0.66 -1.35 -0.13 0.00 -0.02 0.00 0.00 35.03 34.20 1dg3 n LYS 342 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dg3 s VAL 343 N -2.56 3.77 -0.27 -0.18 1.01 -0.58 -5.04 120.40 116.55 1dg3 s VAL 343 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1dg3 s VAL 343 Cb 0.14 -2.67 0.08 0.00 0.00 0.00 0.00 36.38 33.93 1dg3 s VAL 343 CO 0.67 0.47 0.03 -1.58 0.00 0.00 0.00 175.10 174.69 1dg3 s GLN 344 N 0.67 1.12 0.22 2.72 0.74 -1.26 -4.89 119.66 118.98 1dg3 s GLN 344 Ca -0.02 -1.02 -0.26 0.00 0.05 0.00 0.00 55.36 54.10 1dg3 s GLN 344 Cb -0.14 -2.38 -0.09 0.00 1.10 0.00 0.00 33.01 31.50 1dg3 s GLN 344 CO 0.02 -0.78 0.85 -0.51 -0.55 0.00 0.00 175.29 174.33 1dg3 s LEU 345 N 1.49 4.56 0.46 3.68 1.43 -1.26 -3.66 118.68 125.38 1dg3 s LEU 345 Ca 0.02 1.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.73 1dg3 s LEU 345 Cb -0.18 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 1dg3 s LEU 345 CO -0.13 0.14 0.89 -2.16 0.23 0.00 0.00 176.35 175.32 1dg3 s PRO 346 N -1.36 3.90 0.59 1.29 0.04 -1.26 -4.97 135.00 133.22 1dg3 s PRO 346 Ca 0.40 0.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.12 1dg3 s PRO 346 Cb -0.23 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 1dg3 s PRO 346 CO 0.27 -0.15 0.94 0.95 0.04 0.00 0.00 177.00 179.05 1dg3 s THR 347 N -2.48 4.33 0.16 1.26 -4.23 -1.24 -4.84 115.64 108.60 1dg3 s THR 347 Ca 0.56 0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 61.32 1dg3 s THR 347 Cb -0.10 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.07 1dg3 s THR 347 CO 0.30 -0.82 1.75 -0.33 -0.54 0.00 0.00 174.62 174.99 1dg3 h GLU 348 N -0.18 0.30 -4.32 3.99 4.39 -1.91 -3.35 114.58 113.51 1dg3 h GLU 348 Ca -0.45 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.04 1dg3 h GLU 348 Cb 1.22 -0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.67 1dg3 h GLU 348 CO 0.62 0.20 -0.49 -1.54 -1.16 0.00 0.00 179.01 176.63 1dg3 s SER 349 N -5.38 0.11 0.18 1.42 1.04 -1.26 -4.34 113.70 105.47 1dg3 s SER 349 Ca -0.13 -1.23 -0.10 0.00 0.48 0.00 0.00 55.95 54.97 1dg3 s SER 349 Cb 0.12 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.75 1dg3 s SER 349 CO 0.72 -0.90 1.70 0.25 0.98 0.00 0.00 173.24 175.99 1dg3 h LEU 350 N 2.56 0.96 -1.35 2.42 5.85 -1.99 -2.69 115.31 121.07 1dg3 h LEU 350 Ca -0.33 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.25 1dg3 h LEU 350 Cb 1.24 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1dg3 h LEU 350 CO 0.49 0.93 0.51 -0.61 -0.34 0.00 0.00 178.44 179.43 1dg3 h GLN 351 N 0.94 0.72 -0.60 1.25 5.75 -1.98 0.42 115.11 121.61 1dg3 h GLN 351 Ca 0.20 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1dg3 h GLN 351 Cb 0.33 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1dg3 h GLN 351 CO -0.00 0.48 0.28 1.49 -2.65 0.00 0.00 178.83 178.43 1dg3 h GLU 352 N 0.75 0.87 -0.02 1.69 4.81 -1.89 -0.04 114.58 120.74 1dg3 h GLU 352 Ca 0.35 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1dg3 h GLU 352 Cb 0.40 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1dg3 h GLU 352 CO -0.13 0.71 0.00 1.25 -0.73 0.00 0.00 179.01 180.11 1dg3 h LEU 353 N 0.83 0.04 -1.57 1.64 6.46 -0.97 -2.21 115.31 119.52 1dg3 h LEU 353 Ca 0.21 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1dg3 h LEU 353 Cb 0.13 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1dg3 h LEU 353 CO -0.02 0.31 0.19 -0.07 -0.62 0.00 0.00 178.44 178.23 1dg3 h LEU 354 N -0.24 0.43 -0.59 2.25 3.38 -0.86 -0.76 115.31 118.91 1dg3 h LEU 354 Ca 0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1dg3 h LEU 354 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1dg3 h LEU 354 CO 0.00 0.35 -0.58 0.44 0.09 0.00 0.00 178.44 178.73 1dg3 h ASP 355 N 0.49 0.43 -0.31 -0.43 5.19 -0.89 0.63 116.42 121.53 1dg3 h ASP 355 Ca 0.13 -0.24 -0.13 0.00 -0.62 0.00 0.00 57.03 56.17 1dg3 h ASP 355 Cb 0.02 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 1dg3 h ASP 355 CO -0.02 0.92 -0.32 -0.07 -3.12 0.00 0.00 179.24 176.63 1dg3 h LEU 356 N 0.29 0.83 -0.75 1.55 3.38 -0.73 -2.26 115.31 117.62 1dg3 h LEU 356 Ca -0.00 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1dg3 h LEU 356 Cb 1.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1dg3 h LEU 356 CO 0.10 1.13 0.05 -0.74 0.09 0.00 0.00 178.44 179.07 1dg3 h HIS 357 N 0.54 1.08 -0.46 1.13 2.76 -1.06 -2.14 115.15 116.99 1dg3 h HIS 357 Ca 0.05 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1dg3 h HIS 357 Cb 0.90 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1dg3 h HIS 357 CO 0.07 0.93 0.31 -0.09 -1.30 0.00 0.00 177.93 177.85 1dg3 h ARG 358 N 0.94 0.61 -0.32 5.26 2.43 -0.72 1.00 114.38 123.57 1dg3 h ARG 358 Ca 0.18 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 1dg3 h ARG 358 Cb 0.47 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1dg3 h ARG 358 CO 0.02 0.40 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.21 1dg3 h ASP 359 N 0.63 0.75 -0.53 -3.80 3.32 -1.29 -1.75 116.42 113.75 1dg3 h ASP 359 Ca 0.17 -0.44 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 1dg3 h ASP 359 Cb -0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1dg3 h ASP 359 CO -0.04 1.03 0.05 0.28 -1.72 0.00 0.00 179.24 178.84 1dg3 h SER 360 N 0.48 0.91 -0.51 6.45 0.02 -1.23 -1.97 113.55 117.70 1dg3 h SER 360 Ca 0.06 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1dg3 h SER 360 Cb 0.79 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1dg3 h SER 360 CO 0.06 0.94 0.03 -0.08 -1.14 0.00 0.00 176.83 176.64 1dg3 h GLU 361 N 0.89 0.88 -0.67 3.45 4.81 -0.76 0.31 114.58 123.48 1dg3 h GLU 361 Ca 0.17 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1dg3 h GLU 361 Cb 0.46 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1dg3 h GLU 361 CO 0.02 0.90 0.40 -0.09 -0.73 0.00 0.00 179.01 179.50 1dg3 h ARG 362 N 0.75 0.91 -0.21 1.92 2.43 -1.07 -0.52 114.38 118.58 1dg3 h ARG 362 Ca 0.15 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 1dg3 h ARG 362 Cb 0.48 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1dg3 h ARG 362 CO 0.02 0.66 -0.44 0.93 -1.51 0.00 0.00 179.97 179.63 1dg3 h GLU 363 N 0.91 0.52 -0.43 0.20 5.08 -1.15 -2.08 114.58 117.64 1dg3 h GLU 363 Ca 0.24 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1dg3 h GLU 363 Cb -0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1dg3 h GLU 363 CO -0.04 0.86 0.12 0.00 -1.00 0.00 0.00 179.01 178.95 1dg3 h ALA 364 N 1.10 0.57 -0.67 3.43 0.00 -0.51 -1.83 119.26 121.35 1dg3 h ALA 364 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1dg3 h ALA 364 Cb 0.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1dg3 h ALA 364 CO 0.08 0.23 0.27 0.82 0.00 0.00 0.00 179.25 180.66 1dg3 h ILE 365 N 0.56 1.23 -0.76 0.00 2.04 -0.97 -1.61 117.51 118.00 1dg3 h ILE 365 Ca 0.14 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1dg3 h ILE 365 Cb 0.29 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1dg3 h ILE 365 CO -0.00 0.29 0.40 -0.33 0.00 0.00 0.00 178.15 178.50 1dg3 h GLU 366 N 0.97 1.08 -0.35 2.37 5.08 -1.05 0.16 114.58 122.83 1dg3 h GLU 366 Ca 0.23 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1dg3 h GLU 366 Cb 0.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1dg3 h GLU 366 CO -0.02 0.82 0.20 0.28 -1.00 0.00 0.00 179.01 179.29 1dg3 h VAL 367 N 1.06 1.13 -0.03 3.13 2.07 -0.76 -1.53 116.25 121.32 1dg3 h VAL 367 Ca 0.27 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1dg3 h VAL 367 Cb 0.07 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1dg3 h VAL 367 CO -0.04 0.13 0.02 0.15 0.02 0.00 0.00 177.57 177.85 1dg3 h PHE 368 N 0.45 0.05 -0.79 1.57 3.57 -0.87 -2.51 116.94 118.41 1dg3 h PHE 368 Ca 0.13 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1dg3 h PHE 368 Cb 0.03 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1dg3 h PHE 368 CO -0.03 0.12 0.50 0.82 -2.23 0.00 0.00 178.31 177.49 1dg3 h ILE 369 N -0.04 1.10 -0.03 1.41 1.08 -0.87 -1.23 117.51 118.92 1dg3 h ILE 369 Ca 0.01 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.08 1dg3 h ILE 369 Cb 0.09 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1dg3 h ILE 369 CO -0.00 0.18 -0.32 -0.09 -0.69 0.00 0.00 178.15 177.23 1dg3 h ARG 370 N 0.96 0.06 -0.24 2.37 2.43 -1.19 -3.20 114.38 115.57 1dg3 h ARG 370 Ca 0.32 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1dg3 h ARG 370 Cb 0.05 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1dg3 h ARG 370 CO -0.13 0.37 0.00 0.43 -1.51 0.00 0.00 179.97 179.14 1dg3 n SER 371 N -4.14 3.05 -4.66 -3.80 7.64 -0.90 -4.99 113.62 105.81 1dg3 n SER 371 Ca -0.02 -1.90 -0.24 0.00 1.01 0.00 0.00 58.87 57.72 1dg3 n SER 371 Cb 0.37 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1dg3 n SER 371 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1dg3 s SER 372 N -1.46 4.38 -0.12 6.43 1.04 -0.51 -4.62 113.70 118.83 1dg3 s SER 372 Ca 0.30 -0.88 -0.30 0.00 0.48 0.00 0.00 55.95 55.56 1dg3 s SER 372 Cb 0.19 -0.63 0.10 0.00 0.10 0.00 0.00 66.02 65.78 1dg3 s SER 372 CO 0.27 -0.22 0.87 0.72 0.98 0.00 0.00 173.24 175.86 1dg3 s PHE 373 N -2.46 -0.49 -1.45 5.02 -0.12 -1.26 -4.95 117.98 112.27 1dg3 s PHE 373 Ca 0.35 0.85 -0.10 0.00 -0.05 0.00 0.00 56.93 57.98 1dg3 s PHE 373 Cb -0.02 0.43 0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1dg3 s PHE 373 CO 0.20 -0.44 0.94 1.63 -0.05 0.00 0.00 175.22 177.50 1dg3 n LYS 374 N 0.84 -5.71 -1.93 1.99 4.76 -1.26 -4.79 118.16 112.06 1dg3 n LYS 374 Ca -0.14 0.64 -0.42 0.00 -2.87 0.00 0.00 58.31 55.52 1dg3 n LYS 374 Cb 0.57 -5.47 -0.01 0.00 -1.84 0.00 0.00 35.03 28.29 1dg3 n LYS 374 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1dg3 n ASP 375 N -2.92 3.99 -4.66 4.39 2.03 -1.26 -4.93 116.55 113.20 1dg3 n ASP 375 Ca -0.05 -2.84 -0.49 0.00 0.52 0.00 0.00 54.79 51.93 1dg3 n ASP 375 Cb 0.57 -1.63 -0.05 0.00 -0.72 0.00 0.00 41.12 39.29 1dg3 n ASP 375 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1dg3 n VAL 376 N 5.72 0.12 -0.93 5.18 0.31 -1.26 -0.17 118.33 127.30 1dg3 n VAL 376 Ca 0.50 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1dg3 n VAL 376 Cb 0.42 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1dg3 n VAL 376 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1dg3 n ASP 377 N 3.86 -3.97 -2.59 4.52 10.43 -1.26 -3.21 116.55 124.33 1dg3 n ASP 377 Ca 0.19 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.40 1dg3 n ASP 377 Cb 0.26 -2.30 -0.00 0.00 1.84 0.00 0.00 41.12 40.91 1dg3 n ASP 377 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1dg3 n HIS 378 N -2.27 -1.46 -0.29 1.24 8.25 0.76 -4.86 115.22 116.58 1dg3 n HIS 378 Ca 0.00 0.09 -0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1dg3 n HIS 378 Cb 0.26 -2.97 0.07 0.00 1.12 0.00 0.00 29.99 28.47 1dg3 n HIS 378 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dg3 h LEU 379 N -0.20 0.99 -0.56 2.41 3.38 -1.75 -1.35 115.31 118.23 1dg3 h LEU 379 Ca -0.34 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1dg3 h LEU 379 Cb 1.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1dg3 h LEU 379 CO 0.40 0.82 -0.16 -0.26 0.09 0.00 0.00 178.44 179.32 1dg3 h PHE 380 N 1.10 1.11 -0.21 1.13 -1.00 -1.89 -2.00 116.94 115.18 1dg3 h PHE 380 Ca 0.28 -0.25 -0.13 0.00 2.81 0.00 0.00 57.97 60.68 1dg3 h PHE 380 Cb 0.05 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 1dg3 h PHE 380 CO 0.00 1.06 -0.41 0.37 -1.61 0.00 0.00 178.31 177.73 1dg3 h GLN 381 N 0.86 0.48 -0.62 1.51 4.15 -1.89 -1.60 115.11 118.00 1dg3 h GLN 381 Ca 0.12 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 1dg3 h GLN 381 Cb 0.73 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 1dg3 h GLN 381 CO 0.06 0.81 0.21 0.87 -1.93 0.00 0.00 178.83 178.85 1dg3 h LYS 382 N 0.40 0.93 -0.43 1.69 1.57 -1.13 0.50 116.57 120.10 1dg3 h LYS 382 Ca 0.04 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1dg3 h LYS 382 Cb 0.88 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1dg3 h LYS 382 CO 0.07 0.79 0.05 1.49 -0.57 0.00 0.00 179.45 181.28 1dg3 h GLU 383 N 0.91 0.73 -0.56 3.15 4.57 -0.98 -1.58 114.58 120.82 1dg3 h GLU 383 Ca 0.21 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1dg3 h GLU 383 Cb 0.23 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1dg3 h GLU 383 CO -0.01 0.77 0.32 1.25 -1.18 0.00 0.00 179.01 180.16 1dg3 h LEU 384 N 0.58 0.69 -0.54 1.64 5.85 -0.76 -1.75 115.31 121.02 1dg3 h LEU 384 Ca 0.13 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1dg3 h LEU 384 Cb 0.41 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1dg3 h LEU 384 CO 0.01 0.57 0.34 0.00 -0.34 0.00 0.00 178.44 179.02 1dg3 h ALA 385 N 1.15 0.69 -0.47 1.25 0.00 -0.69 -0.30 119.26 120.89 1dg3 h ALA 385 Ca 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1dg3 h ALA 385 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1dg3 h ALA 385 CO -0.03 0.08 0.31 0.00 0.00 0.00 0.00 179.25 179.61 1dg3 h ALA 386 N 1.22 0.60 -0.64 0.00 0.00 -1.00 -0.52 119.26 118.91 1dg3 h ALA 386 Ca 0.21 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1dg3 h ALA 386 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1dg3 h ALA 386 CO -0.07 0.04 0.18 1.96 0.00 0.00 0.00 179.25 181.37 1dg3 h GLN 387 N 0.63 1.01 -0.27 0.00 4.20 -0.92 -2.14 115.11 117.61 1dg3 h GLN 387 Ca 0.17 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1dg3 h GLN 387 Cb -0.06 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1dg3 h GLN 387 CO -0.04 0.89 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.67 1dg3 h LEU 388 N 0.93 0.54 -0.58 1.46 3.38 -0.76 -1.69 115.31 118.59 1dg3 h LEU 388 Ca 0.20 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1dg3 h LEU 388 Cb 0.32 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1dg3 h LEU 388 CO -0.00 0.80 0.03 -0.08 0.09 0.00 0.00 178.44 179.27 1dg3 h GLU 389 N 0.47 1.00 -0.65 1.13 4.81 -0.84 -1.72 114.58 118.78 1dg3 h GLU 389 Ca 0.06 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1dg3 h GLU 389 Cb 0.72 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1dg3 h GLU 389 CO 0.06 0.98 0.26 0.87 -0.73 0.00 0.00 179.01 180.44 1dg3 h LYS 390 N 0.89 0.95 -0.40 1.92 1.79 -1.17 -1.77 116.57 118.79 1dg3 h LYS 390 Ca 0.17 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1dg3 h LYS 390 Cb 0.51 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1dg3 h LYS 390 CO 0.02 0.78 0.25 0.87 -1.08 0.00 0.00 179.45 180.29 1dg3 h LYS 391 N 0.94 0.54 -0.16 3.15 1.79 -0.90 -1.18 116.57 120.75 1dg3 h LYS 391 Ca 0.22 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1dg3 h LYS 391 Cb 0.19 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1dg3 h LYS 391 CO -0.02 0.39 0.06 -0.09 -1.08 0.00 0.00 179.45 178.71 1dg3 h ARG 392 N 0.53 0.14 -0.67 3.15 2.43 -0.80 -1.38 114.38 117.78 1dg3 h ARG 392 Ca 0.14 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1dg3 h ARG 392 Cb -0.01 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1dg3 h ARG 392 CO -0.03 0.09 0.44 -0.44 -1.51 0.00 0.00 179.97 178.52 1dg3 h ASP 393 N 0.14 0.76 -0.43 -3.80 3.32 -1.10 -1.15 116.42 114.16 1dg3 h ASP 393 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1dg3 h ASP 393 Cb 0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1dg3 h ASP 393 CO -0.07 0.55 0.24 0.44 -1.72 0.00 0.00 179.24 178.68 1dg3 h ASP 394 N 0.90 0.53 -0.29 6.45 3.32 -0.98 -1.32 116.42 125.03 1dg3 h ASP 394 Ca 0.25 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1dg3 h ASP 394 Cb -0.09 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1dg3 h ASP 394 CO -0.06 0.46 0.08 -0.26 -1.72 0.00 0.00 179.24 177.75 1dg3 h PHE 395 N 0.56 0.55 -0.31 4.55 -1.00 -0.89 -0.59 116.94 119.81 1dg3 h PHE 395 Ca 0.15 -0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.75 1dg3 h PHE 395 Cb 0.05 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 1dg3 h PHE 395 CO -0.02 0.48 -0.40 0.00 -1.61 0.00 0.00 178.31 176.75 1dg3 h LYS 397 N 0.61 0.68 -0.68 0.00 1.57 -0.71 -2.12 116.57 115.92 1dg3 h LYS 397 Ca 0.05 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1dg3 h LYS 397 Cb 0.95 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 1dg3 h LYS 397 CO 0.09 0.80 0.14 1.96 -0.57 0.00 0.00 179.45 181.87 1dg3 h GLN 398 N 0.49 1.10 -0.80 3.15 4.20 -1.05 -1.71 115.11 120.49 1dg3 h GLN 398 Ca 0.10 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1dg3 h GLN 398 Cb 0.51 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1dg3 h GLN 398 CO 0.03 0.99 0.50 -0.97 -0.67 0.00 0.00 178.83 178.70 1dg3 h ASN 399 N 1.04 0.95 -0.36 1.46 -1.24 -0.94 0.46 115.58 116.94 1dg3 h ASN 399 Ca 0.21 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 1dg3 h ASN 399 Cb 0.40 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1dg3 h ASN 399 CO 0.01 0.72 0.10 -0.61 -1.29 0.00 0.00 177.43 176.35 1dg3 h GLN 400 N 1.09 0.57 -0.62 6.67 4.15 -1.03 -1.33 115.11 124.61 1dg3 h GLN 400 Ca 0.29 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1dg3 h GLN 400 Cb -0.07 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 1dg3 h GLN 400 CO -0.06 0.61 0.25 1.49 -1.93 0.00 0.00 178.83 179.19 1dg3 h GLU 401 N 0.43 0.92 -0.36 1.69 4.81 -0.94 -1.15 114.58 119.98 1dg3 h GLU 401 Ca 0.11 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1dg3 h GLU 401 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1dg3 h GLU 401 CO -0.00 0.77 0.09 0.00 -0.73 0.00 0.00 179.01 179.14 1dg3 h ALA 402 N 1.10 0.48 -0.50 2.92 0.00 -0.80 -1.72 119.26 120.74 1dg3 h ALA 402 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1dg3 h ALA 402 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dg3 h ALA 402 CO -0.02 0.15 0.28 1.03 0.00 0.00 0.00 179.25 180.69 1dg3 h SER 403 N 0.44 0.61 -0.43 0.00 0.87 -1.08 -1.48 113.55 112.47 1dg3 h SER 403 Ca 0.11 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1dg3 h SER 403 Cb 0.30 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1dg3 h SER 403 CO 0.00 0.51 0.18 0.28 -0.53 0.00 0.00 176.83 177.28 1dg3 h SER 404 N 0.66 0.23 -0.07 6.23 0.02 -1.03 -0.76 113.55 118.83 1dg3 h SER 404 Ca 0.18 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1dg3 h SER 404 Cb 0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1dg3 h SER 404 CO -0.03 0.17 0.05 0.44 -1.14 0.00 0.00 176.83 176.32 1dg3 h ASP 405 N 0.37 0.09 0.03 3.07 3.32 -1.04 -0.03 116.42 122.24 1dg3 h ASP 405 Ca 0.20 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.22 1dg3 h ASP 405 Cb 0.15 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1dg3 h ASP 405 CO -0.17 0.10 -0.12 -0.09 -1.72 0.00 0.00 179.24 177.24 1dg3 h ARG 406 N 0.07 -0.21 -0.55 3.56 2.43 -1.04 -1.84 114.38 116.80 1dg3 h ARG 406 Ca 0.03 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1dg3 h ARG 406 Cb 0.03 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1dg3 h ARG 406 CO -0.01 -0.14 0.13 0.00 -1.51 0.00 0.00 179.97 178.45 1dg3 h SER 408 N 0.78 0.61 -0.15 0.00 0.02 -0.89 0.84 113.55 114.77 1dg3 h SER 408 Ca 0.17 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1dg3 h SER 408 Cb 0.34 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1dg3 h SER 408 CO 0.00 0.49 -0.20 1.23 -1.14 0.00 0.00 176.83 177.21 1dg3 h GLY 409 N 0.76 0.43 1.63 -3.77 0.00 -1.03 -2.63 103.07 98.48 1dg3 h GLY 409 Ca 0.18 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1dg3 h GLY 409 CO -0.03 0.43 -0.02 1.41 0.00 0.00 0.00 176.54 178.33 1dg3 h LEU 410 N 0.01 0.43 -0.29 3.11 3.38 -0.89 -1.30 115.31 119.76 1dg3 h LEU 410 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dg3 h LEU 410 Cb 0.77 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1dg3 h LEU 410 CO 0.05 0.51 0.18 0.25 0.09 0.00 0.00 178.44 179.52 1dg3 h LEU 411 N 0.44 0.34 -0.21 1.67 5.85 -0.77 0.68 115.31 123.31 1dg3 h LEU 411 Ca 0.10 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1dg3 h LEU 411 Cb 0.32 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1dg3 h LEU 411 CO 0.01 0.28 0.06 -0.61 -0.34 0.00 0.00 178.44 177.84 1dg3 h GLN 412 N 0.37 0.33 -0.31 1.25 4.15 -1.06 -0.06 115.11 119.78 1dg3 h GLN 412 Ca 0.10 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1dg3 h GLN 412 Cb -0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1dg3 h GLN 412 CO -0.02 0.43 0.17 0.28 -1.93 0.00 0.00 178.83 177.76 1dg3 h VAL 413 N 0.16 1.13 -0.03 2.39 2.07 -1.06 -1.57 116.25 119.33 1dg3 h VAL 413 Ca 0.07 -0.35 -0.18 0.00 0.82 0.00 0.00 66.70 67.06 1dg3 h VAL 413 Cb 0.25 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1dg3 h VAL 413 CO -0.00 0.13 -0.68 0.40 0.02 0.00 0.00 177.57 177.44 1dg3 h ILE 414 N 0.39 1.37 0.00 4.57 2.04 -0.83 -3.39 117.51 121.67 1dg3 h ILE 414 Ca 0.11 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.92 1dg3 h ILE 414 Cb 0.06 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1dg3 h ILE 414 CO -0.02 0.61 -1.01 0.49 0.00 0.00 0.00 178.15 178.22 1dg3 n PHE 415 N -4.13 0.09 -0.28 1.37 3.01 -0.04 -4.47 117.46 113.01 1dg3 n PHE 415 Ca -0.10 0.03 0.01 0.00 1.01 0.00 0.00 57.45 58.40 1dg3 n PHE 415 Cb 0.70 -0.23 0.14 0.00 -0.01 0.00 0.00 39.48 40.08 1dg3 n PHE 415 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1dg3 h SER 416 N 0.00 0.68 -0.10 4.37 0.02 -1.43 -1.98 113.55 115.11 1dg3 h SER 416 Ca 0.00 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1dg3 h SER 416 Cb 0.62 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1dg3 h SER 416 CO 0.00 0.42 -0.13 -0.65 -1.14 0.00 0.00 176.83 175.32 1dg3 h PRO 417 N 0.81 -0.17 -0.96 3.45 0.11 -1.83 -1.29 132.00 132.12 1dg3 h PRO 417 Ca 0.36 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.57 1dg3 h PRO 417 Cb 0.26 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.33 1dg3 h PRO 417 CO -0.21 -0.11 0.61 1.25 -0.21 0.00 0.00 178.00 179.33 1dg3 h LEU 418 N -0.18 0.94 -1.11 2.35 5.85 -1.75 -0.49 115.31 120.92 1dg3 h LEU 418 Ca 0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1dg3 h LEU 418 Cb 0.29 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1dg3 h LEU 418 CO -0.21 0.56 0.29 -0.33 -0.34 0.00 0.00 178.44 178.42 1dg3 h GLU 419 N 1.05 0.92 0.00 1.25 5.08 -0.63 -0.68 114.58 121.58 1dg3 h GLU 419 Ca 0.44 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1dg3 h GLU 419 Cb 0.29 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1dg3 h GLU 419 CO -0.21 0.73 -0.67 0.93 -1.00 0.00 0.00 179.01 178.78 1dg3 h GLU 420 N 0.92 0.00 -0.24 2.33 5.08 -0.08 -2.38 114.58 120.21 1dg3 h GLU 420 Ca 0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1dg3 h GLU 420 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1dg3 h GLU 420 CO -0.03 0.67 -0.25 0.93 -1.00 0.00 0.00 179.01 179.33 1dg3 h GLU 421 N 0.00 0.60 -0.68 2.33 5.08 -0.53 -2.02 114.58 119.36 1dg3 h GLU 421 Ca -0.01 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1dg3 h GLU 421 Cb 1.26 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1dg3 h GLU 421 CO 0.09 0.92 0.42 0.28 -1.00 0.00 0.00 179.01 179.72 1dg3 h VAL 422 N 0.31 1.19 -0.82 3.13 2.07 -1.08 -1.93 116.25 119.12 1dg3 h VAL 422 Ca 0.04 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1dg3 h VAL 422 Cb 0.81 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1dg3 h VAL 422 CO 0.06 0.20 0.36 0.50 0.02 0.00 0.00 177.57 178.71 1dg3 h LYS 423 N 0.93 1.21 0.00 1.57 3.64 -1.37 -1.40 116.57 121.15 1dg3 h LYS 423 Ca 0.25 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1dg3 h LYS 423 Cb -0.04 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1dg3 h LYS 423 CO -0.05 0.95 0.00 0.00 -2.27 0.00 0.00 179.45 178.09 1dg3 n ALA 424 N -2.43 1.70 -1.62 5.00 0.00 -0.77 -4.87 120.51 117.53 1dg3 n ALA 424 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1dg3 n ALA 424 Cb 0.16 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1dg3 n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dg3 n GLY 425 N 0.09 0.39 0.27 0.00 0.00 -0.53 -4.95 105.19 100.46 1dg3 n GLY 425 Ca 0.04 -0.95 0.15 0.00 0.00 0.00 0.00 46.02 45.26 1dg3 n GLY 425 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1dg3 h ILE 426 N 0.00 0.27 -0.05 -0.61 -0.00 -1.57 -2.72 117.51 112.83 1dg3 h ILE 426 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 64.86 64.27 1dg3 h ILE 426 Cb 0.63 1.46 0.00 0.00 -0.00 0.00 0.00 36.82 38.91 1dg3 h ILE 426 CO 0.00 0.08 0.00 -1.22 -0.00 0.00 0.00 178.15 177.01 1dg3 n TYR 427 N -3.30 0.04 -2.56 2.19 4.02 -1.26 -4.70 117.16 111.59 1dg3 n TYR 427 Ca -0.01 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.90 57.43 1dg3 n TYR 427 Cb 0.29 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1dg3 n TYR 427 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1dg3 n SER 428 N 1.09 5.02 -3.74 7.72 7.64 -1.03 -4.21 113.62 126.12 1dg3 n SER 428 Ca 0.12 -3.01 -0.05 0.00 1.01 0.00 0.00 58.87 56.93 1dg3 n SER 428 Cb 0.49 -1.56 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 1dg3 n SER 428 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1dg3 s LYS 429 N 1.52 1.31 0.08 1.43 -2.85 -1.26 -5.05 119.74 114.93 1dg3 s LYS 429 Ca 0.43 -0.70 -0.33 0.00 -1.00 0.00 0.00 55.97 54.38 1dg3 s LYS 429 Cb 0.04 0.47 -0.12 0.00 -2.06 0.00 0.00 37.83 36.16 1dg3 s LYS 429 CO 0.00 -0.60 1.78 -2.30 0.10 0.00 0.00 175.35 174.33 1dg3 n PRO 430 N -0.44 2.47 -0.99 1.78 -0.02 -1.26 -0.69 135.00 135.85 1dg3 n PRO 430 Ca -0.06 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1dg3 n PRO 430 Cb 0.61 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1dg3 n PRO 430 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dg3 n GLY 431 N 4.05 0.54 0.25 -1.23 0.00 -1.26 -4.91 105.19 102.63 1dg3 n GLY 431 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1dg3 n GLY 431 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dg3 h GLY 432 N 0.00 0.00 0.76 -0.02 0.00 -1.08 -3.12 103.07 99.61 1dg3 h GLY 432 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1dg3 h GLY 432 CO 0.00 0.00 -0.02 -1.82 0.00 0.00 0.00 176.54 174.70 1dg3 h TYR 433 N 0.00 0.28 0.00 5.60 3.20 -1.80 -2.41 116.97 121.85 1dg3 h TYR 433 Ca -0.00 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1dg3 h TYR 433 Cb 0.34 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1dg3 h TYR 433 CO 0.00 0.52 -0.20 0.00 -1.64 0.00 0.00 178.16 176.84 1dg3 h ARG 434 N -0.04 0.00 0.00 1.82 3.08 -1.95 -0.02 114.38 117.27 1dg3 h ARG 434 Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 1dg3 h ARG 434 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1dg3 h ARG 434 CO 0.01 0.20 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.29 1dg3 h LEU 435 N 0.00 0.00 -0.00 3.04 3.38 -1.56 -2.77 115.31 117.40 1dg3 h LEU 435 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dg3 h LEU 435 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dg3 h LEU 435 CO 0.03 0.75 -0.00 0.15 0.09 0.00 0.00 178.44 179.45 1dg3 h PHE 436 N 0.00 0.00 -0.91 1.13 3.57 -0.80 -2.46 116.94 117.46 1dg3 h PHE 436 Ca -0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1dg3 h PHE 436 Cb 1.49 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 1dg3 h PHE 436 CO 0.00 0.67 0.57 0.28 -2.23 0.00 0.00 178.31 177.60 1dg3 h VAL 437 N -0.66 1.04 -0.41 1.41 2.07 -1.09 0.14 116.25 118.74 1dg3 h VAL 437 Ca -0.00 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.04 1dg3 h VAL 437 Cb 0.67 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1dg3 h VAL 437 CO 0.00 0.19 -0.26 -0.61 0.02 0.00 0.00 177.57 176.91 1dg3 h GLN 438 N 1.03 0.85 -0.33 1.57 4.15 -1.55 -0.52 115.11 120.31 1dg3 h GLN 438 Ca 0.40 -0.37 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1dg3 h GLN 438 Cb 0.20 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1dg3 h GLN 438 CO -0.18 1.01 0.08 -0.22 -1.93 0.00 0.00 178.83 177.59 1dg3 h LYS 439 N 0.73 0.53 0.00 1.69 1.63 -0.89 -1.72 116.57 118.55 1dg3 h LYS 439 Ca 0.09 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1dg3 h LYS 439 Cb 0.80 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1dg3 h LYS 439 CO 0.07 0.59 -0.07 1.25 -3.45 0.00 0.00 179.45 177.83 1dg3 h LEU 440 N 0.38 -0.20 -0.85 5.20 5.85 -0.55 -1.36 115.31 123.78 1dg3 h LEU 440 Ca 0.11 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1dg3 h LEU 440 Cb 0.29 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1dg3 h LEU 440 CO 0.00 -0.11 0.53 1.56 -0.34 0.00 0.00 178.44 180.08 1dg3 h GLN 441 N -0.13 0.96 -0.54 1.25 1.08 -1.01 -0.63 115.11 116.09 1dg3 h GLN 441 Ca 0.03 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1dg3 h GLN 441 Cb 0.16 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1dg3 h GLN 441 CO -0.07 0.63 0.23 -0.44 -0.95 0.00 0.00 178.83 178.23 1dg3 h ASP 442 N 0.99 0.69 0.32 1.46 5.19 -0.88 -1.42 116.42 122.77 1dg3 h ASP 442 Ca 0.36 -0.08 -0.21 0.00 -0.62 0.00 0.00 57.03 56.48 1dg3 h ASP 442 Cb 0.12 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1dg3 h ASP 442 CO -0.16 0.62 -0.87 -0.07 -3.12 0.00 0.00 179.24 175.65 1dg3 h LEU 443 N 0.76 0.50 -0.54 1.55 3.38 -0.30 -2.03 115.31 118.63 1dg3 h LEU 443 Ca 0.19 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1dg3 h LEU 443 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dg3 h LEU 443 CO -0.02 1.16 0.27 0.11 0.09 0.00 0.00 178.44 180.05 1dg3 h LYS 444 N 0.24 0.77 -0.49 1.13 1.57 -0.80 -0.01 116.57 119.00 1dg3 h LYS 444 Ca -0.06 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1dg3 h LYS 444 Cb 1.48 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 1dg3 h LYS 444 CO 0.15 0.63 0.26 -0.22 -0.57 0.00 0.00 179.45 179.70 1dg3 h LYS 445 N 0.73 0.50 -0.90 3.15 3.64 -1.17 -0.71 116.57 121.81 1dg3 h LYS 445 Ca 0.19 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1dg3 h LYS 445 Cb 0.10 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1dg3 h LYS 445 CO -0.03 0.33 0.59 0.87 -2.27 0.00 0.00 179.45 178.95 1dg3 h LYS 446 N 0.51 1.19 0.02 1.90 1.57 -0.72 -1.49 116.57 119.55 1dg3 h LYS 446 Ca 0.21 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1dg3 h LYS 446 Cb 0.08 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1dg3 h LYS 446 CO -0.13 0.79 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.60 1dg3 h TYR 447 N 1.22 -0.05 0.00 -1.35 3.20 -0.24 -2.17 116.97 117.57 1dg3 h TYR 447 Ca 0.33 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1dg3 h TYR 447 Cb -0.14 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1dg3 h TYR 447 CO -0.01 -0.03 -0.06 1.88 -1.64 0.00 0.00 178.16 178.30 1dg3 h TYR 448 N -0.05 0.00 0.00 -3.82 0.99 -0.82 -1.93 116.97 111.35 1dg3 h TYR 448 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dg3 h TYR 448 Cb 0.05 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.78 1dg3 h TYR 448 CO -0.09 0.06 -0.06 0.93 -0.00 0.00 0.00 178.16 179.00 1dg3 h GLU 449 N 0.00 0.00 -6.86 4.88 5.08 -0.64 -3.45 114.58 113.59 1dg3 h GLU 449 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1dg3 h GLU 449 Cb 0.18 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.50 1dg3 h GLU 449 CO 0.01 0.00 0.69 -1.21 -1.00 0.00 0.00 179.01 177.49 1dg3 s GLU 450 N -3.11 4.30 0.48 2.33 0.41 -0.73 -4.98 118.70 117.40 1dg3 s GLU 450 Ca 0.10 2.29 -0.18 0.00 -0.41 0.00 0.00 54.97 56.76 1dg3 s GLU 450 Cb 0.12 -3.06 -0.09 0.00 -1.78 0.00 0.00 34.13 29.32 1dg3 s GLU 450 CO 0.61 -0.29 0.97 -1.25 -0.49 0.00 0.00 175.26 174.81 1dg3 s PRO 451 N -1.52 4.06 -1.06 0.39 0.04 -1.26 -4.45 135.00 131.19 1dg3 s PRO 451 Ca 0.52 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 1dg3 s PRO 451 Cb -0.41 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.02 1dg3 s PRO 451 CO 0.52 -0.18 0.60 -2.13 0.04 0.00 0.00 177.00 175.85 1dg3 n ARG 452 N -1.22 -0.32 0.14 4.56 0.63 -1.26 -4.84 116.66 114.34 1dg3 n ARG 452 Ca 0.07 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.02 1dg3 n ARG 452 Cb 0.54 -2.02 0.04 0.00 0.45 0.00 0.00 32.46 31.47 1dg3 n ARG 452 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1dg3 h LYS 453 N -1.93 0.00 0.00 -0.14 1.57 -1.89 -3.45 116.57 110.74 1dg3 h LYS 453 Ca -0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1dg3 h LYS 453 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1dg3 h LYS 453 CO 0.45 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 180.29 1dg3 n GLY 454 N 1.15 0.27 0.27 3.86 0.00 -1.26 -4.57 105.19 104.92 1dg3 n GLY 454 Ca 0.02 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.22 1dg3 n GLY 454 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1dg3 h ILE 455 N 0.00 0.00 -0.15 -0.61 3.07 -1.76 -2.76 117.51 115.29 1dg3 h ILE 455 Ca 0.00 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.38 1dg3 h ILE 455 Cb 0.00 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 1dg3 h ILE 455 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1dg3 n GLN 456 N -2.76 1.97 -0.15 0.16 1.13 -1.26 -4.55 117.38 111.92 1dg3 n GLN 456 Ca -0.02 -1.44 -0.06 0.00 -1.94 0.00 0.00 57.00 53.54 1dg3 n GLN 456 Cb 0.07 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1dg3 n GLN 456 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dg3 h ALA 457 N 4.32 -0.07 -0.06 -1.58 0.00 -1.74 -0.73 119.26 119.41 1dg3 h ALA 457 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1dg3 h ALA 457 Cb 0.67 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1dg3 h ALA 457 CO 0.00 -0.67 0.01 0.93 0.00 0.00 0.00 179.25 179.52 1dg3 h GLU 458 N -0.19 0.09 -0.58 0.00 4.39 -1.86 -2.56 114.58 113.87 1dg3 h GLU 458 Ca 0.20 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.91 1dg3 h GLU 458 Cb 0.53 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1dg3 h GLU 458 CO -0.59 0.33 0.34 1.49 -1.16 0.00 0.00 179.01 179.42 1dg3 h GLU 459 N -0.16 0.64 -0.02 2.33 4.81 -1.81 -1.07 114.58 119.31 1dg3 h GLU 459 Ca 0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1dg3 h GLU 459 Cb 0.28 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1dg3 h GLU 459 CO 0.00 0.43 0.01 0.82 -0.73 0.00 0.00 179.01 179.54 1dg3 h ILE 460 N 0.66 1.04 -0.19 2.32 1.08 -1.13 -1.59 117.51 119.69 1dg3 h ILE 460 Ca 0.24 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.58 1dg3 h ILE 460 Cb 0.06 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1dg3 h ILE 460 CO -0.12 0.03 0.03 0.25 -0.69 0.00 0.00 178.15 177.66 1dg3 h LEU 461 N -0.01 0.31 -1.05 1.44 5.85 -1.28 -2.26 115.31 118.30 1dg3 h LEU 461 Ca 0.01 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1dg3 h LEU 461 Cb 0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1dg3 h LEU 461 CO -0.00 0.48 0.19 1.56 -0.34 0.00 0.00 178.44 180.33 1dg3 h GLN 462 N 0.12 0.87 -0.33 1.25 1.08 -1.20 0.20 115.11 117.09 1dg3 h GLN 462 Ca 0.06 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1dg3 h GLN 462 Cb 0.30 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1dg3 h GLN 462 CO 0.00 0.74 -0.12 1.15 -0.95 0.00 0.00 178.83 179.66 1dg3 h THR 463 N 0.85 1.24 0.17 -0.54 2.02 -1.23 0.19 112.91 115.60 1dg3 h THR 463 Ca 0.19 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1dg3 h THR 463 Cb 0.24 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1dg3 h THR 463 CO -0.01 0.35 -0.08 0.22 0.37 0.00 0.00 175.52 176.37 1dg3 h TYR 464 N 0.53 -0.21 -0.89 3.16 3.20 -0.66 -2.68 116.97 119.42 1dg3 h TYR 464 Ca 0.09 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1dg3 h TYR 464 Cb 0.52 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1dg3 h TYR 464 CO 0.02 0.16 0.58 -0.07 -1.64 0.00 0.00 178.16 177.21 1dg3 h LEU 465 N -0.62 0.96 -0.87 2.82 3.38 -0.49 -1.74 115.31 118.75 1dg3 h LEU 465 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1dg3 h LEU 465 Cb 0.46 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1dg3 h LEU 465 CO 0.04 0.66 0.56 0.50 0.09 0.00 0.00 178.44 180.29 1dg3 h LYS 466 N 1.12 1.05 0.00 1.13 1.63 -0.60 -1.51 116.57 119.39 1dg3 h LYS 466 Ca 0.35 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1dg3 h LYS 466 Cb 0.01 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.40 1dg3 h LYS 466 CO -0.10 0.70 0.00 -1.13 -3.45 0.00 0.00 179.45 175.46 1dg3 n SER 467 N -4.54 0.62 -0.17 4.20 3.41 -0.68 -2.70 113.62 113.76 1dg3 n SER 467 Ca 0.11 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.44 1dg3 n SER 467 Cb 0.10 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 1dg3 n SER 467 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dg3 n LYS 468 N -2.16 1.23 -0.25 4.33 4.76 -0.64 -4.57 118.16 120.87 1dg3 n LYS 468 Ca 0.03 -0.35 0.04 0.00 -2.87 0.00 0.00 58.31 55.16 1dg3 n LYS 468 Cb 0.26 -1.35 0.14 0.00 -1.84 0.00 0.00 35.03 32.24 1dg3 n LYS 468 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1dg3 h GLU 469 N 0.82 0.09 -0.19 1.97 4.81 -1.16 0.14 114.58 121.07 1dg3 h GLU 469 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1dg3 h GLU 469 Cb 0.51 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1dg3 h GLU 469 CO 0.00 0.06 0.09 1.03 -0.73 0.00 0.00 179.01 179.46 1dg3 h SER 470 N 0.09 0.25 -0.65 1.04 0.87 -1.80 -1.04 113.55 112.31 1dg3 h SER 470 Ca 0.39 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1dg3 h SER 470 Cb 0.68 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1dg3 h SER 470 CO -0.66 0.31 0.43 -0.03 -0.53 0.00 0.00 176.83 176.35 1dg3 h MET 471 N 0.17 0.86 -0.23 2.24 1.85 -1.44 -2.13 114.93 116.25 1dg3 h MET 471 Ca 0.06 -0.05 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 1dg3 h MET 471 Cb 0.13 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 31.96 1dg3 h MET 471 CO -0.01 0.57 -0.34 1.15 -0.40 0.00 0.00 176.91 177.88 1dg3 h THR 472 N 0.88 1.32 -0.92 -0.77 2.02 -0.48 -3.09 112.91 111.87 1dg3 h THR 472 Ca 0.24 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.89 1dg3 h THR 472 Cb -0.10 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1dg3 h THR 472 CO -0.05 0.48 0.61 -0.78 0.37 0.00 0.00 175.52 176.15 1dg3 h ASP 473 N 0.34 1.04 -0.37 4.18 3.58 -0.85 -2.42 116.42 121.92 1dg3 h ASP 473 Ca 0.02 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.50 1dg3 h ASP 473 Cb 0.92 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.67 1dg3 h ASP 473 CO 0.08 0.75 0.10 0.00 -2.88 0.00 0.00 179.24 177.28 1dg3 h ALA 474 N 1.44 0.41 -0.71 -0.78 0.00 -1.32 0.15 119.26 118.44 1dg3 h ALA 474 Ca 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1dg3 h ALA 474 Cb -0.12 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1dg3 h ALA 474 CO -0.08 -0.30 0.44 0.82 0.00 0.00 0.00 179.25 180.13 1dg3 h ILE 475 N 0.23 1.20 0.66 0.00 2.04 -1.37 -0.74 117.51 119.52 1dg3 h ILE 475 Ca 0.18 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1dg3 h ILE 475 Cb 0.19 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1dg3 h ILE 475 CO -0.21 0.20 -0.32 0.25 0.00 0.00 0.00 178.15 178.07 1dg3 h LEU 476 N 0.98 -0.75 -2.26 1.44 5.85 -0.78 -1.86 115.31 117.93 1dg3 h LEU 476 Ca 0.26 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1dg3 h LEU 476 Cb -0.06 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1dg3 h LEU 476 CO -0.05 -0.38 0.00 1.56 -0.34 0.00 0.00 178.44 179.23 1dg3 h GLN 477 N -1.16 0.00 0.00 1.25 1.08 -0.64 -1.37 115.11 114.27 1dg3 h GLN 477 Ca -0.09 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1dg3 h GLN 477 Cb 0.71 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1dg3 h GLN 477 CO 0.15 0.00 -1.30 2.41 -0.95 0.00 0.00 178.83 179.14 1dg3 n THR 478 N -2.70 0.65 -2.07 -0.54 -1.04 -0.30 -4.82 114.28 103.46 1dg3 n THR 478 Ca -0.02 -0.58 -0.40 0.00 -2.04 0.00 0.00 64.05 61.01 1dg3 n THR 478 Cb 0.06 -0.36 -0.03 0.00 -1.82 0.00 0.00 70.33 68.18 1dg3 n THR 478 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1dg3 s ASP 479 N -5.30 5.56 0.00 8.00 -1.08 -0.52 -4.85 116.67 118.49 1dg3 s ASP 479 Ca -0.03 0.63 0.21 0.00 -0.52 0.00 0.00 52.55 52.84 1dg3 s ASP 479 Cb 0.10 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.26 1dg3 s ASP 479 CO 0.82 -2.09 1.62 0.00 0.52 0.00 0.00 175.17 176.03 1dg3 n GLN 480 N 8.87 0.63 0.00 4.34 6.02 -1.26 -2.86 117.38 133.12 1dg3 n GLN 480 Ca 0.20 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 1dg3 n GLN 480 Cb 0.50 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.56 1dg3 n GLN 480 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1dg3 n THR 481 N -1.01 0.00 -4.25 5.09 -2.24 -1.26 -4.89 114.28 105.71 1dg3 n THR 481 Ca 0.15 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 1dg3 n THR 481 Cb 0.07 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 68.87 1dg3 n THR 481 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dg3 s LEU 482 N -2.41 3.73 0.76 3.22 1.43 -1.14 -4.99 118.68 119.29 1dg3 s LEU 482 Ca 0.25 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1dg3 s LEU 482 Cb 0.19 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.59 1dg3 s LEU 482 CO 0.50 0.36 1.08 0.42 0.23 0.00 0.00 176.35 178.93 1dg3 s THR 483 N -0.74 3.48 0.30 5.49 -4.23 -1.26 -4.87 115.64 113.82 1dg3 s THR 483 Ca 0.12 0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 61.10 1dg3 s THR 483 Cb -0.12 -3.12 0.24 0.00 1.34 0.00 0.00 72.50 70.84 1dg3 s THR 483 CO 0.02 -0.63 1.94 -0.08 -0.54 0.00 0.00 174.62 175.34 1dg3 h GLU 484 N -1.01 0.98 -0.39 3.99 4.81 -1.99 -2.09 114.58 118.88 1dg3 h GLU 484 Ca -0.45 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 58.60 1dg3 h GLU 484 Cb 1.24 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1dg3 h GLU 484 CO 0.55 0.70 -0.11 -0.22 -0.73 0.00 0.00 179.01 179.20 1dg3 h LYS 485 N 1.00 0.77 -0.85 1.92 3.11 -1.99 -1.36 116.57 119.18 1dg3 h LYS 485 Ca 0.26 -0.30 0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1dg3 h LYS 485 Cb -0.03 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.12 1dg3 h LYS 485 CO -0.05 0.91 0.56 0.93 -2.81 0.00 0.00 179.45 178.99 1dg3 h GLU 486 N 0.58 1.10 -0.44 1.90 5.08 -1.84 0.19 114.58 121.14 1dg3 h GLU 486 Ca 0.10 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1dg3 h GLU 486 Cb 0.63 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1dg3 h GLU 486 CO 0.04 0.73 0.10 0.87 -1.00 0.00 0.00 179.01 179.75 1dg3 h LYS 487 N 1.13 0.71 -0.80 2.33 1.57 -1.23 0.37 116.57 120.67 1dg3 h LYS 487 Ca 0.32 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1dg3 h LYS 487 Cb -0.11 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.05 1dg3 h LYS 487 CO -0.08 0.72 0.47 1.49 -0.57 0.00 0.00 179.45 181.48 1dg3 h GLU 488 N 0.59 0.80 -0.28 3.15 4.81 -0.60 0.58 114.58 123.63 1dg3 h GLU 488 Ca 0.14 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1dg3 h GLU 488 Cb 0.33 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1dg3 h GLU 488 CO 0.00 0.53 -0.05 0.82 -0.73 0.00 0.00 179.01 179.58 1dg3 h ILE 489 N 0.83 1.28 -0.39 2.32 1.08 -0.55 -2.60 117.51 119.48 1dg3 h ILE 489 Ca 0.36 -1.06 0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1dg3 h ILE 489 Cb 0.25 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1dg3 h ILE 489 CO -0.20 0.34 0.24 -0.33 -0.69 0.00 0.00 178.15 177.50 1dg3 h GLU 490 N 0.30 0.47 -0.65 2.37 4.39 -0.20 0.16 114.58 121.42 1dg3 h GLU 490 Ca 0.07 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1dg3 h GLU 490 Cb 0.52 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1dg3 h GLU 490 CO 0.02 0.31 0.37 0.28 -1.16 0.00 0.00 179.01 178.83 1dg3 h VAL 491 N 0.48 1.00 -0.43 3.13 2.07 -0.88 -1.51 116.25 120.12 1dg3 h VAL 491 Ca 0.15 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1dg3 h VAL 491 Cb -0.01 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1dg3 h VAL 491 CO -0.06 0.13 0.02 -0.08 0.02 0.00 0.00 177.57 177.60 1dg3 h GLU 492 N 0.70 0.75 0.18 1.57 4.81 -1.04 -1.39 114.58 120.16 1dg3 h GLU 492 Ca 0.28 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1dg3 h GLU 492 Cb 0.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1dg3 h GLU 492 CO -0.16 0.81 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.64 1dg3 h ARG 493 N 0.60 -0.42 -0.64 1.92 2.43 -0.56 0.15 114.38 117.86 1dg3 h ARG 493 Ca 0.13 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.42 1dg3 h ARG 493 Cb 0.46 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1dg3 h ARG 493 CO 0.02 -0.28 0.42 0.28 -1.51 0.00 0.00 179.97 178.90 1dg3 h VAL 494 N -0.44 0.91 -0.40 0.20 2.07 -1.23 0.31 116.25 117.68 1dg3 h VAL 494 Ca 0.01 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1dg3 h VAL 494 Cb 0.42 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1dg3 h VAL 494 CO -0.07 0.09 -0.04 0.50 0.02 0.00 0.00 177.57 178.07 1dg3 h LYS 495 N 0.49 0.74 -0.33 1.57 3.64 -0.06 -1.22 116.57 121.39 1dg3 h LYS 495 Ca 0.29 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1dg3 h LYS 495 Cb 0.50 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1dg3 h LYS 495 CO -0.09 0.85 -0.19 0.00 -2.27 0.00 0.00 179.45 177.74 1dg3 h ALA 496 N 0.87 0.47 -0.98 5.00 0.00 0.88 -2.24 119.26 123.26 1dg3 h ALA 496 Ca 0.11 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1dg3 h ALA 496 Cb 0.54 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1dg3 h ALA 496 CO 0.03 0.42 0.64 1.49 0.00 0.00 0.00 179.25 181.83 1dg3 h GLU 497 N 0.49 1.25 -0.43 0.00 4.81 -0.38 -1.10 114.58 119.22 1dg3 h GLU 497 Ca 0.07 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1dg3 h GLU 497 Cb 0.74 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1dg3 h GLU 497 CO 0.06 0.82 -0.31 1.03 -0.73 0.00 0.00 179.01 179.88 1dg3 h SER 498 N 1.28 1.02 -0.15 1.04 0.87 -1.10 -2.36 113.55 114.17 1dg3 h SER 498 Ca 0.37 -0.43 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1dg3 h SER 498 Cb -0.08 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 1dg3 h SER 498 CO -0.10 1.24 -0.15 0.00 -0.53 0.00 0.00 176.83 177.29 1dg3 h ALA 499 N 0.82 1.18 -0.30 6.23 0.00 -0.95 -1.71 119.26 124.52 1dg3 h ALA 499 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1dg3 h ALA 499 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1dg3 h ALA 499 CO 0.08 0.53 0.11 1.96 0.00 0.00 0.00 179.25 181.93 1dg3 h GLN 500 N 0.49 0.45 0.24 0.00 1.08 -1.06 -1.43 115.11 114.87 1dg3 h GLN 500 Ca 0.09 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1dg3 h GLN 500 Cb 0.55 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1dg3 h GLN 500 CO 0.03 0.48 -0.16 0.00 -0.95 0.00 0.00 178.83 178.23 1dg3 h ALA 501 N 0.95 -0.38 -0.36 3.87 0.00 -1.03 -0.74 119.26 121.58 1dg3 h ALA 501 Ca 0.10 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1dg3 h ALA 501 Cb 0.20 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1dg3 h ALA 501 CO -0.01 -0.73 0.24 0.77 0.00 0.00 0.00 179.25 179.53 1dg3 h SER 502 N -0.40 0.18 0.19 0.00 0.02 -1.28 -1.69 113.55 110.58 1dg3 h SER 502 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1dg3 h SER 502 Cb 0.34 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1dg3 h SER 502 CO 0.01 0.12 -0.09 0.00 -1.14 0.00 0.00 176.83 175.72 1dg3 h ALA 503 N 1.81 -0.25 0.19 3.77 0.00 -0.28 -2.24 119.26 122.25 1dg3 h ALA 503 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1dg3 h ALA 503 Cb 0.38 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1dg3 h ALA 503 CO -0.03 -0.55 -0.26 0.87 0.00 0.00 0.00 179.25 179.28 1dg3 h LYS 504 N -0.43 -0.49 -0.93 0.00 1.57 -0.32 -2.18 116.57 113.79 1dg3 h LYS 504 Ca -0.03 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1dg3 h LYS 504 Cb 0.33 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.68 1dg3 h LYS 504 CO 0.04 -0.33 0.60 0.52 -0.57 0.00 0.00 179.45 179.71 1dg3 h MET 505 N -0.51 0.65 -0.37 3.15 2.86 -1.35 0.54 114.93 119.90 1dg3 h MET 505 Ca 0.01 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1dg3 h MET 505 Cb 0.50 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1dg3 h MET 505 CO -0.10 0.43 0.08 1.25 1.06 0.00 0.00 176.91 179.63 1dg3 h LEU 506 N 0.67 0.56 0.82 1.22 5.85 -0.95 -0.89 115.31 122.59 1dg3 h LEU 506 Ca 0.49 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1dg3 h LEU 506 Cb 0.85 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.74 1dg3 h LEU 506 CO -0.24 0.65 -0.40 -0.74 -0.34 0.00 0.00 178.44 177.37 1dg3 h HIS 507 N 0.44 -1.03 -0.83 1.25 2.76 -0.43 -1.66 115.15 115.65 1dg3 h HIS 507 Ca 0.11 -0.02 0.24 0.00 -2.20 0.00 0.00 60.37 58.50 1dg3 h HIS 507 Cb 0.31 0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.58 1dg3 h HIS 507 CO 0.02 -0.64 0.60 0.93 -1.30 0.00 0.00 177.93 177.54 1dg3 h GLU 508 N -1.10 0.00 -0.24 5.26 5.08 -0.93 0.41 114.58 123.06 1dg3 h GLU 508 Ca -0.11 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.05 1dg3 h GLU 508 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1dg3 h GLU 508 CO 0.18 0.00 -0.63 1.98 -1.00 0.00 0.00 179.01 179.54 1dg3 h MET 509 N 0.00 0.83 -0.38 2.33 4.05 -0.67 -1.62 114.93 119.46 1dg3 h MET 509 Ca 0.39 -0.58 -0.16 0.00 -0.28 0.00 0.00 59.70 59.08 1dg3 h MET 509 Cb 1.58 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.46 1dg3 h MET 509 CO -0.00 1.20 -0.38 1.96 0.23 0.00 0.00 176.91 179.92 1dg3 h GLN 510 N 0.61 0.92 -0.72 0.39 4.20 0.56 -2.56 115.11 118.51 1dg3 h GLN 510 Ca -0.01 -0.48 0.01 0.00 0.06 0.00 0.00 58.65 58.24 1dg3 h GLN 510 Cb 1.24 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 1dg3 h GLN 510 CO 0.13 1.13 0.47 -0.09 -0.67 0.00 0.00 178.83 179.80 1dg3 h ARG 511 N 0.75 0.92 -0.67 1.46 9.65 -0.47 -1.56 114.38 124.47 1dg3 h ARG 511 Ca 0.06 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1dg3 h ARG 511 Cb 0.97 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 29.31 1dg3 h ARG 511 CO 0.09 0.61 0.13 1.57 2.80 0.00 0.00 179.97 185.17 1dg3 h LYS 512 N 0.95 1.09 -0.17 0.20 2.10 -1.19 -0.92 116.57 118.63 1dg3 h LYS 512 Ca 0.27 -0.28 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1dg3 h LYS 512 Cb -0.08 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.11 1dg3 h LYS 512 CO -0.07 0.99 -0.03 -0.91 -2.00 0.00 0.00 179.45 177.43 1dg3 h ASN 513 N 1.01 0.23 0.06 7.07 -0.26 -1.02 -1.01 115.58 121.66 1dg3 h ASN 513 Ca 0.21 -0.03 -0.22 0.00 -0.56 0.00 0.00 56.30 55.69 1dg3 h ASN 513 Cb 0.41 -0.06 0.01 0.00 -1.06 0.00 0.00 38.32 37.62 1dg3 h ASN 513 CO 0.01 0.31 -0.85 -0.33 -1.06 0.00 0.00 177.43 175.51 1dg3 h GLU 514 N 0.25 0.62 -0.27 0.81 5.08 -0.67 -2.38 114.58 118.01 1dg3 h GLU 514 Ca 0.06 -0.56 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 1dg3 h GLU 514 Cb 0.22 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1dg3 h GLU 514 CO 0.01 1.18 -0.16 1.96 -1.00 0.00 0.00 179.01 181.00 1dg3 h GLN 515 N 0.40 0.48 -0.11 2.33 4.20 -0.54 -0.67 115.11 121.19 1dg3 h GLN 515 Ca -0.07 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 1dg3 h GLN 515 Cb 1.47 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.21 1dg3 h GLN 515 CO 0.16 0.63 -0.26 0.52 -0.67 0.00 0.00 178.83 179.21 1dg3 h MET 516 N 0.44 0.37 -0.11 1.46 2.86 -1.19 -1.71 114.93 117.06 1dg3 h MET 516 Ca 0.08 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1dg3 h MET 516 Cb 0.53 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1dg3 h MET 516 CO 0.03 0.86 -0.18 0.52 1.06 0.00 0.00 176.91 179.20 1dg3 h MET 517 N -0.05 0.17 0.24 1.72 2.86 -1.31 -1.44 114.93 117.12 1dg3 h MET 517 Ca -0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1dg3 h MET 517 Cb 0.86 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1dg3 h MET 517 CO 0.06 0.35 -0.11 1.49 1.06 0.00 0.00 176.91 179.76 1dg3 h GLU 518 N 0.16 -0.31 -0.46 1.72 4.81 -1.04 -2.50 114.58 116.97 1dg3 h GLU 518 Ca 0.03 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1dg3 h GLU 518 Cb 0.42 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1dg3 h GLU 518 CO 0.03 0.02 0.30 0.37 -0.73 0.00 0.00 179.01 179.00 1dg3 h GLN 519 N -0.67 0.51 -0.70 1.92 5.75 -1.12 -0.25 115.11 120.54 1dg3 h GLN 519 Ca -0.03 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1dg3 h GLN 519 Cb 0.47 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1dg3 h GLN 519 CO 0.05 0.34 0.32 -0.22 -2.65 0.00 0.00 178.83 176.67 1dg3 h LYS 520 N 0.52 1.02 -0.35 1.69 3.64 -1.19 0.36 116.57 122.26 1dg3 h LYS 520 Ca 0.18 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1dg3 h LYS 520 Cb 0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1dg3 h LYS 520 CO -0.04 0.82 -0.20 1.49 -2.27 0.00 0.00 179.45 179.24 1dg3 h GLU 521 N 0.98 0.75 -0.52 1.90 4.22 -0.78 -2.19 114.58 118.95 1dg3 h GLU 521 Ca 0.24 -0.34 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1dg3 h GLU 521 Cb 0.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1dg3 h GLU 521 CO -0.03 0.96 0.31 0.00 -2.18 0.00 0.00 179.01 178.07 1dg3 h ARG 522 N 0.53 0.70 -0.25 1.92 3.08 -0.71 -0.47 114.38 119.19 1dg3 h ARG 522 Ca 0.07 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dg3 h ARG 522 Cb 0.75 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1dg3 h ARG 522 CO 0.06 0.52 0.15 0.77 -1.07 0.00 0.00 179.97 180.40 1dg3 h SER 523 N 0.69 0.30 -0.75 7.04 0.02 -0.88 0.20 113.55 120.17 1dg3 h SER 523 Ca 0.18 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1dg3 h SER 523 Cb 0.00 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 1dg3 h SER 523 CO -0.03 0.25 0.42 0.22 -1.14 0.00 0.00 176.83 176.55 1dg3 h TYR 524 N 0.31 0.77 0.00 3.45 3.20 -1.15 -1.70 116.97 121.85 1dg3 h TYR 524 Ca 0.09 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 1dg3 h TYR 524 Cb 0.01 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1dg3 h TYR 524 CO -0.05 0.35 -0.63 1.96 -1.64 0.00 0.00 178.16 178.15 1dg3 h GLN 525 N 0.75 0.00 -0.34 1.82 4.20 -0.62 -3.01 115.11 117.91 1dg3 h GLN 525 Ca 0.35 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.90 1dg3 h GLN 525 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1dg3 h GLN 525 CO -0.21 0.63 -0.41 1.49 -0.67 0.00 0.00 178.83 179.65 1dg3 h GLU 526 N 0.00 0.84 -0.45 1.46 4.57 0.24 -1.05 114.58 120.19 1dg3 h GLU 526 Ca -0.01 -0.45 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 1dg3 h GLU 526 Cb 1.14 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 1dg3 h GLU 526 CO 0.08 1.09 0.19 0.45 -1.18 0.00 0.00 179.01 179.64 1dg3 h HIS 527 N 0.68 0.67 -0.46 0.92 3.86 -1.35 -2.24 115.15 117.22 1dg3 h HIS 527 Ca 0.05 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1dg3 h HIS 527 Cb 0.99 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 1dg3 h HIS 527 CO 0.06 0.57 -0.07 -0.07 0.86 0.00 0.00 177.93 179.28 1dg3 h LEU 528 N 0.58 0.79 -0.24 2.43 3.38 -1.42 -1.85 115.31 118.98 1dg3 h LEU 528 Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1dg3 h LEU 528 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1dg3 h LEU 528 CO -0.01 0.90 0.11 0.50 0.09 0.00 0.00 178.44 180.02 1dg3 h LYS 529 N 0.74 0.35 -0.08 1.13 3.64 -0.97 0.76 116.57 122.13 1dg3 h LYS 529 Ca 0.13 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 1dg3 h LYS 529 Cb 0.55 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1dg3 h LYS 529 CO 0.03 0.37 -0.62 1.96 -2.27 0.00 0.00 179.45 178.91 1dg3 h GLN 530 N 0.25 0.31 -0.13 1.90 4.20 -1.37 -2.63 115.11 117.64 1dg3 h GLN 530 Ca 0.08 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1dg3 h GLN 530 Cb 0.14 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1dg3 h GLN 530 CO -0.01 0.83 -0.05 1.25 -0.67 0.00 0.00 178.83 180.19 1dg3 h LEU 531 N 0.22 0.26 -0.87 1.46 5.85 -1.20 -2.06 115.31 118.96 1dg3 h LEU 531 Ca -0.01 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.42 1dg3 h LEU 531 Cb 1.15 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 1dg3 h LEU 531 CO 0.10 0.59 0.52 0.74 -0.34 0.00 0.00 178.44 180.05 1dg3 h THR 532 N -0.08 0.92 -0.44 1.05 2.02 -0.84 0.51 112.91 116.05 1dg3 h THR 532 Ca 0.03 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1dg3 h THR 532 Cb 0.49 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1dg3 h THR 532 CO 0.02 0.16 0.20 -0.33 0.37 0.00 0.00 175.52 175.93 1dg3 h GLU 533 N 0.86 0.63 -0.68 6.66 5.08 -1.35 -1.62 114.58 124.16 1dg3 h GLU 533 Ca 0.42 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1dg3 h GLU 533 Cb 0.38 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1dg3 h GLU 533 CO -0.25 0.56 0.29 -0.22 -1.00 0.00 0.00 179.01 178.39 1dg3 h LYS 534 N 0.56 1.01 -0.29 2.33 3.64 -0.55 -1.14 116.57 122.13 1dg3 h LYS 534 Ca 0.15 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1dg3 h LYS 534 Cb 0.14 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1dg3 h LYS 534 CO -0.02 0.83 -0.13 0.52 -2.27 0.00 0.00 179.45 178.38 1dg3 h MET 535 N 0.96 0.50 -0.22 1.90 2.86 -0.79 0.13 114.93 120.27 1dg3 h MET 535 Ca 0.23 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1dg3 h MET 535 Cb 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1dg3 h MET 535 CO -0.02 0.62 -0.01 1.49 1.06 0.00 0.00 176.91 180.04 1dg3 h GLU 536 N 0.46 0.41 -0.74 1.72 4.57 -0.84 0.20 114.58 120.36 1dg3 h GLU 536 Ca 0.08 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1dg3 h GLU 536 Cb 0.50 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1dg3 h GLU 536 CO 0.03 0.61 0.37 -0.91 -1.18 0.00 0.00 179.01 177.92 1dg3 h ASN 537 N 0.16 0.95 -0.57 1.04 2.35 -0.84 -1.29 115.58 117.38 1dg3 h ASN 537 Ca 0.06 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1dg3 h ASN 537 Cb 0.43 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1dg3 h ASN 537 CO 0.01 0.79 -0.03 0.44 -1.65 0.00 0.00 177.43 177.00 1dg3 h ASP 538 N 1.05 1.02 -0.43 5.81 3.32 -0.42 -1.74 116.42 125.03 1dg3 h ASP 538 Ca 0.26 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1dg3 h ASP 538 Cb 0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1dg3 h ASP 538 CO -0.04 1.09 0.26 -0.09 -1.72 0.00 0.00 179.24 178.74 1dg3 h ARG 539 N 0.95 0.58 -0.61 3.56 2.43 0.06 -1.28 114.38 120.07 1dg3 h ARG 539 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1dg3 h ARG 539 Cb 0.58 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1dg3 h ARG 539 CO 0.03 0.43 0.32 0.28 -1.51 0.00 0.00 179.97 179.52 1dg3 h VAL 540 N 0.57 1.20 -0.53 0.20 2.07 -1.12 -1.57 116.25 117.07 1dg3 h VAL 540 Ca 0.15 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1dg3 h VAL 540 Cb -0.01 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1dg3 h VAL 540 CO -0.03 0.23 0.23 -0.61 0.02 0.00 0.00 177.57 177.41 1dg3 h GLN 541 N 0.83 0.78 -0.63 1.57 5.75 -1.07 -1.89 115.11 120.44 1dg3 h GLN 541 Ca 0.21 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1dg3 h GLN 541 Cb 0.08 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1dg3 h GLN 541 CO -0.03 0.66 0.13 1.25 -2.65 0.00 0.00 178.83 178.19 1dg3 h LEU 542 N 0.71 0.98 -0.70 -2.39 5.85 -1.05 -1.91 115.31 116.80 1dg3 h LEU 542 Ca 0.18 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1dg3 h LEU 542 Cb 0.16 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1dg3 h LEU 542 CO -0.02 0.97 0.38 0.25 -0.34 0.00 0.00 178.44 179.68 1dg3 h LEU 543 N 0.94 0.88 -0.54 2.25 5.85 -1.06 0.79 115.31 124.43 1dg3 h LEU 543 Ca 0.19 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1dg3 h LEU 543 Cb 0.39 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1dg3 h LEU 543 CO 0.01 0.73 0.34 0.50 -0.34 0.00 0.00 178.44 179.68 1dg3 h LYS 544 N 0.97 0.72 -0.49 1.25 3.64 -1.13 0.69 116.57 122.20 1dg3 h LYS 544 Ca 0.25 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1dg3 h LYS 544 Cb 0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1dg3 h LYS 544 CO -0.04 0.50 0.28 0.93 -2.27 0.00 0.00 179.45 178.85 1dg3 h GLU 545 N 0.72 0.68 -0.32 1.90 5.08 -0.68 -2.23 114.58 119.73 1dg3 h GLU 545 Ca 0.19 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1dg3 h GLU 545 Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1dg3 h GLU 545 CO -0.04 0.53 -0.21 1.96 -1.00 0.00 0.00 179.01 180.25 1dg3 h GLN 546 N 0.66 0.60 -0.49 2.33 4.20 -0.42 -2.02 115.11 119.97 1dg3 h GLN 546 Ca 0.17 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1dg3 h GLN 546 Cb 0.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1dg3 h GLN 546 CO -0.03 0.77 0.00 0.93 -0.67 0.00 0.00 178.83 179.84 1dg3 h GLU 547 N 0.54 0.81 -0.05 1.46 4.39 -0.67 0.38 114.58 121.45 1dg3 h GLU 547 Ca 0.08 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1dg3 h GLU 547 Cb 0.66 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1dg3 h GLU 547 CO 0.05 0.82 0.02 -0.09 -1.16 0.00 0.00 179.01 178.64 1dg3 h ARG 548 N 0.76 0.07 -0.30 2.33 2.43 -1.06 -1.04 114.38 117.57 1dg3 h ARG 548 Ca 0.15 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1dg3 h ARG 548 Cb 0.45 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1dg3 h ARG 548 CO 0.02 0.20 0.17 1.15 -1.51 0.00 0.00 179.97 179.99 1dg3 h THR 549 N -0.07 1.02 -0.39 0.20 2.02 -1.10 -2.10 112.91 112.49 1dg3 h THR 549 Ca 0.02 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1dg3 h THR 549 Cb 0.15 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1dg3 h THR 549 CO -0.00 0.06 0.09 0.25 0.37 0.00 0.00 175.52 176.29 1dg3 h LEU 550 N 0.35 0.04 -0.81 2.58 5.85 -0.74 -0.22 115.31 122.35 1dg3 h LEU 550 Ca 0.12 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1dg3 h LEU 550 Cb 0.01 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1dg3 h LEU 550 CO -0.06 0.06 0.48 0.00 -0.34 0.00 0.00 178.44 178.58 1dg3 h ALA 551 N 1.29 1.04 -0.44 1.25 0.00 -0.96 -0.08 119.26 121.35 1dg3 h ALA 551 Ca 0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1dg3 h ALA 551 Cb 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1dg3 h ALA 551 CO -0.23 0.51 -0.02 -0.07 0.00 0.00 0.00 179.25 179.43 1dg3 h LEU 552 N 1.12 0.78 -0.79 0.00 3.38 -0.91 -1.96 115.31 116.93 1dg3 h LEU 552 Ca 0.29 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1dg3 h LEU 552 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1dg3 h LEU 552 CO -0.05 0.91 -0.22 0.11 0.09 0.00 0.00 178.44 179.28 1dg3 h LYS 553 N 0.62 0.68 -0.50 1.13 1.57 -0.80 -2.47 116.57 116.80 1dg3 h LYS 553 Ca 0.12 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1dg3 h LYS 553 Cb 0.53 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1dg3 h LYS 553 CO 0.03 0.84 0.15 -0.07 -0.57 0.00 0.00 179.45 179.83 1dg3 h LEU 554 N 0.60 0.73 -0.14 2.94 3.38 -0.88 0.14 115.31 122.08 1dg3 h LEU 554 Ca 0.09 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1dg3 h LEU 554 Cb 0.69 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1dg3 h LEU 554 CO 0.05 0.75 0.04 -0.61 0.09 0.00 0.00 178.44 178.76 1dg3 h GLN 555 N 0.68 0.10 -0.31 1.13 4.15 -1.20 -0.49 115.11 119.17 1dg3 h GLN 555 Ca 0.16 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1dg3 h GLN 555 Cb 0.28 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1dg3 h GLN 555 CO -0.00 0.07 0.05 0.93 -1.93 0.00 0.00 178.83 177.95 1dg3 h GLU 556 N 0.11 0.51 -0.38 1.69 4.39 -1.30 -2.47 114.58 117.12 1dg3 h GLU 556 Ca 0.06 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1dg3 h GLU 556 Cb 0.04 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1dg3 h GLU 556 CO -0.07 0.60 0.14 0.37 -1.16 0.00 0.00 179.01 178.89 1dg3 h GLN 557 N 0.34 0.30 -0.10 2.33 -0.00 -0.52 -1.23 115.11 116.23 1dg3 h GLN 557 Ca 0.09 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.64 1dg3 h GLN 557 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 1dg3 h GLN 557 CO 0.01 0.20 -0.31 0.93 0.00 0.00 0.00 178.83 179.65 1dg3 h GLU 558 N 0.31 0.18 0.03 1.69 5.08 -1.07 -1.56 114.58 119.23 1dg3 h GLU 558 Ca 0.17 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1dg3 h GLU 558 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1dg3 h GLU 558 CO -0.17 0.48 -0.02 1.96 -1.00 0.00 0.00 179.01 180.27 1dg3 h GLN 559 N 0.16 -0.04 -0.94 2.33 1.08 -0.91 -0.45 115.11 116.33 1dg3 h GLN 559 Ca 0.02 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1dg3 h GLN 559 Cb 0.64 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.01 1dg3 h GLN 559 CO 0.05 0.28 0.61 -0.07 -0.95 0.00 0.00 178.83 178.74 1dg3 h LEU 560 N -0.37 0.89 0.56 1.46 3.38 -1.07 0.16 115.31 120.32 1dg3 h LEU 560 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1dg3 h LEU 560 Cb 0.35 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1dg3 h LEU 560 CO 0.01 0.54 -0.27 0.25 0.09 0.00 0.00 178.44 179.05 1dg3 h LEU 561 N 0.99 -0.64 -1.07 1.67 6.46 -1.02 0.14 115.31 121.84 1dg3 h LEU 561 Ca 0.43 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.25 1dg3 h LEU 561 Cb 0.34 0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.37 1dg3 h LEU 561 CO -0.19 -0.43 0.62 0.11 -0.62 0.00 0.00 178.44 177.93 1dg3 h LYS 562 N -0.79 1.11 0.00 1.25 1.57 -0.43 0.28 116.57 119.56 1dg3 h LYS 562 Ca -0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1dg3 h LYS 562 Cb 0.60 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1dg3 h LYS 562 CO 0.13 0.74 0.00 0.39 -0.57 0.00 0.00 179.45 180.13 1dg3 n GLU 563 N -4.47 0.54 -1.06 3.15 1.02 0.49 -4.84 120.64 115.46 1dg3 n GLU 563 Ca 0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.26 1dg3 n GLU 563 Cb 0.15 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 1dg3 n GLU 563 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dg3 n GLY 564 N 0.07 0.55 3.04 0.62 0.00 0.97 -4.94 105.19 105.51 1dg3 n GLY 564 Ca 0.12 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1dg3 n GLY 564 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dg3 n PHE 565 N -2.81 3.38 -0.21 1.61 3.01 0.43 -4.82 117.46 118.06 1dg3 n PHE 565 Ca -0.02 -2.93 0.00 0.00 1.01 0.00 0.00 57.45 55.50 1dg3 n PHE 565 Cb 0.13 -1.89 0.08 0.00 -0.01 0.00 0.00 39.48 37.80 1dg3 n PHE 565 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1dg3 h GLN 566 N 6.04 0.04 0.43 -1.08 4.15 -1.86 -0.13 115.11 122.69 1dg3 h GLN 566 Ca 0.34 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.74 1dg3 h GLN 566 Cb 0.69 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1dg3 h GLN 566 CO 1.47 0.03 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.93 1dg3 h LYS 567 N 0.04 -0.62 -0.28 1.69 3.64 -1.96 -0.29 116.57 118.79 1dg3 h LYS 567 Ca 0.31 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1dg3 h LYS 567 Cb 0.49 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1dg3 h LYS 567 CO -0.60 -0.41 -0.03 0.93 -2.27 0.00 0.00 179.45 177.07 1dg3 h GLU 568 N -0.64 0.43 -0.47 1.90 4.39 -1.91 -1.18 114.58 117.11 1dg3 h GLU 568 Ca -0.05 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 1dg3 h GLU 568 Cb 0.51 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1dg3 h GLU 568 CO 0.07 0.48 -0.15 1.03 -1.16 0.00 0.00 179.01 179.28 1dg3 h SER 569 N 0.41 0.89 0.12 1.42 0.87 -0.80 -1.89 113.55 114.57 1dg3 h SER 569 Ca 0.09 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.21 1dg3 h SER 569 Cb 0.32 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1dg3 h SER 569 CO 0.01 1.04 -0.52 0.03 -0.53 0.00 0.00 176.83 176.86 1dg3 h ARG 570 N 0.79 0.44 -0.37 2.24 3.08 -0.51 -1.16 114.38 118.88 1dg3 h ARG 570 Ca 0.12 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1dg3 h ARG 570 Cb 0.68 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1dg3 h ARG 570 CO 0.05 0.85 0.19 0.82 -1.07 0.00 0.00 179.97 180.81 1dg3 h ILE 571 N 0.34 1.15 0.00 2.04 2.04 -0.95 -1.07 117.51 121.07 1dg3 h ILE 571 Ca 0.01 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1dg3 h ILE 571 Cb 1.02 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1dg3 h ILE 571 CO 0.09 0.16 -0.30 0.24 0.00 0.00 0.00 178.15 178.34 1dg3 h MET 572 N 0.46 0.00 -0.26 2.37 2.86 -1.22 -1.81 114.93 117.33 1dg3 h MET 572 Ca 0.13 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1dg3 h MET 572 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1dg3 h MET 572 CO -0.02 0.30 -0.30 -0.22 1.06 0.00 0.00 176.91 177.73 1dg3 h LYS 573 N 0.00 0.54 -0.37 1.72 1.63 -0.44 -0.00 116.57 119.65 1dg3 h LYS 573 Ca -0.00 -0.23 -0.13 0.00 -0.85 0.00 0.00 60.65 59.44 1dg3 h LYS 573 Cb 0.71 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1dg3 h LYS 573 CO 0.04 0.78 -0.29 -0.91 -3.45 0.00 0.00 179.45 175.63 1dg3 h ASN 574 N 0.47 0.81 -0.51 4.20 -0.26 -0.50 -0.76 115.58 119.04 1dg3 h ASN 574 Ca 0.06 -0.32 -0.03 0.00 -0.56 0.00 0.00 56.30 55.45 1dg3 h ASN 574 Cb 0.76 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 1dg3 h ASN 574 CO 0.06 1.05 0.20 -0.33 -1.06 0.00 0.00 177.43 177.34 1dg3 h GLU 575 N 0.67 0.77 -0.71 0.81 5.08 -0.87 -1.66 114.58 118.66 1dg3 h GLU 575 Ca 0.08 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1dg3 h GLU 575 Cb 0.82 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1dg3 h GLU 575 CO 0.07 0.68 0.31 0.82 -1.00 0.00 0.00 179.01 179.89 1dg3 h ILE 576 N 0.69 1.24 -0.53 3.13 2.04 -0.80 -2.32 117.51 120.96 1dg3 h ILE 576 Ca 0.17 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1dg3 h ILE 576 Cb 0.21 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1dg3 h ILE 576 CO -0.01 0.29 0.11 1.56 0.00 0.00 0.00 178.15 180.10 1dg3 h GLN 577 N 1.00 0.86 -0.40 2.37 4.20 -0.85 -0.37 115.11 121.92 1dg3 h GLN 577 Ca 0.24 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1dg3 h GLN 577 Cb 0.17 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1dg3 h GLN 577 CO -0.02 0.83 0.22 -0.44 -0.67 0.00 0.00 178.83 178.75 1dg3 h ASP 578 N 0.75 0.36 -0.25 1.46 3.32 -1.14 -1.39 116.42 119.53 1dg3 h ASP 578 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1dg3 h ASP 578 Cb 0.36 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1dg3 h ASP 578 CO 0.01 0.26 0.16 0.25 -1.72 0.00 0.00 179.24 178.19 1dg3 h LEU 579 N 0.46 0.28 -1.47 1.55 5.85 -1.14 -2.44 115.31 118.39 1dg3 h LEU 579 Ca 0.16 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1dg3 h LEU 579 Cb 0.02 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1dg3 h LEU 579 CO -0.08 0.20 0.10 1.56 -0.34 0.00 0.00 178.44 179.88 1dg3 h GLN 580 N 0.33 0.45 -0.10 1.25 4.20 -0.78 -0.94 115.11 119.53 1dg3 h GLN 580 Ca 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1dg3 h GLN 580 Cb -0.03 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1dg3 h GLN 580 CO -0.02 0.40 0.03 1.15 -0.67 0.00 0.00 178.83 179.72 1dg3 h THR 581 N 0.45 1.18 -0.71 -0.54 2.02 -0.97 -2.83 112.91 111.51 1dg3 h THR 581 Ca 0.11 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.77 1dg3 h THR 581 Cb 0.13 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1dg3 h THR 581 CO -0.01 0.16 0.47 0.11 0.37 0.00 0.00 175.52 176.62 1dg3 h LYS 582 N -0.03 0.85 0.00 6.66 1.57 -0.91 -3.52 116.57 121.19 1dg3 h LYS 582 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1dg3 h LYS 582 Cb 0.22 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1dg3 h LYS 582 CO -0.00 0.56 0.00 -1.33 -0.57 0.00 0.00 179.45 178.11