#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw3 n GLN 2 N 0.00 0.00 -2.16 4.33 7.27 -1.25 -3.88 117.38 121.69 2aw3 n GLN 2 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 2aw3 n GLN 2 Cb 0.00 -1.23 0.01 0.00 2.41 0.00 0.00 30.24 31.43 2aw3 n GLN 2 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2aw3 s PRO 3 N 4.95 3.27 -0.30 3.69 0.02 -1.26 -4.93 135.00 140.44 2aw3 s PRO 3 Ca 0.99 1.50 -0.10 0.00 0.02 0.00 0.00 61.00 63.41 2aw3 s PRO 3 Cb -1.23 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 2aw3 s PRO 3 CO 0.54 -0.89 0.17 0.42 -0.33 0.00 0.00 177.00 176.91 2aw3 s ILE 4 N -1.98 4.89 0.33 2.83 1.09 -1.26 -4.98 121.20 122.13 2aw3 s ILE 4 Ca 0.70 -0.19 -0.29 0.00 -1.10 0.00 0.00 60.65 59.77 2aw3 s ILE 4 Cb -0.22 -3.43 -0.10 0.00 -1.06 0.00 0.00 42.46 37.65 2aw3 s ILE 4 CO 0.30 0.13 1.34 0.12 -0.10 0.00 0.00 174.94 176.73 2aw3 s PHE 5 N 1.67 2.99 -0.08 3.97 5.36 -1.26 -5.03 117.98 125.61 2aw3 s PHE 5 Ca 0.06 1.36 -0.01 0.00 -0.96 0.00 0.00 56.93 57.38 2aw3 s PHE 5 Cb -0.17 -3.73 0.03 0.00 -0.34 0.00 0.00 43.02 38.81 2aw3 s PHE 5 CO 0.08 -2.05 -0.02 1.21 -1.46 0.00 0.00 175.22 172.99 2aw3 s ASN 6 N -0.38 1.71 0.31 6.13 3.84 -1.26 -5.05 114.94 120.24 2aw3 s ASN 6 Ca 0.50 -0.13 -0.01 0.00 0.21 0.00 0.00 52.86 53.43 2aw3 s ASN 6 Cb -0.41 -0.53 0.50 0.00 -0.55 0.00 0.00 41.25 40.27 2aw3 s ASN 6 CO 0.53 -0.18 1.97 -0.78 -2.79 0.00 0.00 177.10 175.85 2aw3 h ASP 7 N 8.29 0.86 -0.19 -4.21 3.58 -1.97 -2.21 116.42 120.56 2aw3 h ASP 7 Ca -0.22 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.12 2aw3 h ASP 7 Cb 1.13 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 2aw3 h ASP 7 CO 0.29 0.64 -0.16 0.50 -2.88 0.00 0.00 179.24 177.64 2aw3 h LYS 8 N 1.00 0.44 -0.90 0.28 3.64 -1.99 -1.22 116.57 117.81 2aw3 h LYS 8 Ca 0.26 -0.22 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2aw3 h LYS 8 Cb -0.07 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 2aw3 h LYS 8 CO -0.05 0.78 0.55 0.37 -2.27 0.00 0.00 179.45 178.83 2aw3 h GLN 9 N 0.10 0.91 -0.24 1.90 4.15 -1.97 -1.64 115.11 118.33 2aw3 h GLN 9 Ca 0.03 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2aw3 h GLN 9 Cb 0.69 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2aw3 h GLN 9 CO 0.04 0.60 0.07 0.35 -1.93 0.00 0.00 178.83 177.96 2aw3 h PHE 10 N 0.94 0.39 -0.23 3.99 3.57 -1.05 -1.06 116.94 123.48 2aw3 h PHE 10 Ca 0.42 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.91 2aw3 h PHE 10 Cb 0.32 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2aw3 h PHE 10 CO -0.03 0.45 0.04 1.96 -2.23 0.00 0.00 178.31 178.51 2aw3 h GLN 11 N 0.21 0.13 -0.20 1.11 1.08 -1.10 0.15 115.11 116.50 2aw3 h GLN 11 Ca 0.08 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2aw3 h GLN 11 Cb 0.25 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2aw3 h GLN 11 CO -0.00 0.09 0.01 0.93 -0.95 0.00 0.00 178.83 178.90 2aw3 h GLU 12 N 0.13 0.08 -0.56 1.46 5.08 -1.22 -0.85 114.58 118.70 2aw3 h GLU 12 Ca 0.11 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2aw3 h GLU 12 Cb 0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2aw3 h GLU 12 CO -0.14 0.05 0.15 0.00 -1.00 0.00 0.00 179.01 178.07 2aw3 h ALA 13 N 1.17 1.21 -0.64 3.43 0.00 -0.86 -1.53 119.26 122.04 2aw3 h ALA 13 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2aw3 h ALA 13 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2aw3 h ALA 13 CO -0.15 0.55 0.08 1.25 0.00 0.00 0.00 179.25 180.97 2aw3 h LEU 14 N 0.82 1.04 -0.66 0.00 5.85 -0.47 -2.66 115.31 119.24 2aw3 h LEU 14 Ca 0.18 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2aw3 h LEU 14 Cb 0.28 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2aw3 h LEU 14 CO -0.00 1.05 -0.09 0.77 -0.34 0.00 0.00 178.44 179.83 2aw3 h SER 15 N 1.00 0.95 -0.79 1.25 4.64 -0.66 -2.08 113.55 117.87 2aw3 h SER 15 Ca 0.19 -0.30 0.14 0.00 -0.47 0.00 0.00 61.79 61.36 2aw3 h SER 15 Cb 0.47 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 2aw3 h SER 15 CO 0.02 1.05 0.52 0.03 -0.87 0.00 0.00 176.83 177.58 2aw3 h ARG 16 N 0.86 0.50 -0.00 4.77 3.08 -0.95 -1.24 114.38 121.40 2aw3 h ARG 16 Ca 0.14 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2aw3 h ARG 16 Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2aw3 h ARG 16 CO 0.04 0.33 -0.00 1.96 -1.07 0.00 0.00 179.97 181.23 2aw3 h GLN 17 N 0.51 0.00 0.00 0.04 1.08 -1.17 -0.18 115.11 115.39 2aw3 h GLN 17 Ca 0.39 -0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.49 2aw3 h GLN 17 Cb 0.77 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2aw3 h GLN 17 CO -0.14 0.64 -0.47 0.11 -0.95 0.00 0.00 178.83 178.03 2aw3 h TRP 18 N -0.64 0.00 -0.53 2.96 5.08 -1.37 -0.97 115.95 120.48 2aw3 h TRP 18 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 2aw3 h TRP 18 Cb 0.64 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.78 2aw3 h TRP 18 CO 0.15 0.47 0.26 1.96 -1.28 0.00 0.00 178.44 180.00 2aw3 h GLN 19 N 0.00 0.76 0.00 0.12 4.20 -1.26 -1.15 115.11 117.78 2aw3 h GLN 19 Ca -0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2aw3 h GLN 19 Cb 0.85 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2aw3 h GLN 19 CO 0.06 0.62 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.73 2aw3 h ARG 20 N 0.71 0.00 -0.03 1.46 2.43 0.28 0.06 114.38 119.28 2aw3 h ARG 20 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2aw3 h ARG 20 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2aw3 h ARG 20 CO -0.02 0.02 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 2aw3 n TYR 21 N -3.42 0.03 -2.82 2.20 4.01 -0.71 -4.95 117.16 111.50 2aw3 n TYR 21 Ca -0.02 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 2aw3 n TYR 21 Cb 0.13 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 2aw3 n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aw3 n GLY 22 N 1.16 0.11 3.79 2.72 0.00 0.01 -5.05 105.19 107.93 2aw3 n GLY 22 Ca 0.19 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2aw3 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw3 s LEU 23 N -4.13 3.62 0.33 0.99 1.43 -0.47 -5.02 118.68 115.43 2aw3 s LEU 23 Ca 0.10 -0.41 0.23 0.00 -1.03 0.00 0.00 54.13 53.02 2aw3 s LEU 23 Cb -0.04 -2.16 0.20 0.00 0.03 0.00 0.00 46.19 44.21 2aw3 s LEU 23 CO 0.36 -0.12 1.37 0.78 0.23 0.00 0.00 176.35 178.96 2aw3 h ASN 24 N 1.51 0.00 -4.94 2.29 2.35 -1.97 -3.40 115.58 111.41 2aw3 h ASN 24 Ca -0.47 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.29 2aw3 h ASN 24 Cb 1.24 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.49 2aw3 h ASN 24 CO 0.60 0.00 0.26 -0.94 -1.65 0.00 0.00 177.43 175.71 2aw3 s SER 25 N -5.80 -0.51 0.36 5.81 1.04 -1.26 -5.04 113.70 108.30 2aw3 s SER 25 Ca 0.04 -0.05 0.12 0.00 0.48 0.00 0.00 55.95 56.54 2aw3 s SER 25 Cb 0.07 0.57 0.91 0.00 0.10 0.00 0.00 66.02 67.67 2aw3 s SER 25 CO 0.72 -0.94 1.81 0.00 0.98 0.00 0.00 173.24 175.81 2aw3 h ALA 26 N 2.00 1.94 0.00 5.32 0.00 -1.95 -1.87 119.26 124.71 2aw3 h ALA 26 Ca -0.31 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2aw3 h ALA 26 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2aw3 h ALA 26 CO 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2aw3 h ALA 27 N 1.63 1.00 0.00 0.00 0.00 -1.96 -1.58 119.26 118.34 2aw3 h ALA 27 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2aw3 h ALA 27 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2aw3 h ALA 27 CO -0.29 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.35 2aw3 n GLU 28 N -2.65 0.04 -2.24 0.00 1.02 -0.70 -4.89 120.64 111.22 2aw3 n GLU 28 Ca -0.02 0.08 -0.37 0.00 -0.02 0.00 0.00 57.16 56.83 2aw3 n GLU 28 Cb 0.09 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 2aw3 n GLU 28 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2aw3 s MET 29 N -3.02 3.76 0.72 3.49 -1.94 -0.60 -5.03 119.30 116.67 2aw3 s MET 29 Ca 0.12 1.80 -0.11 0.00 -1.71 0.00 0.00 55.69 55.79 2aw3 s MET 29 Cb 0.16 -2.42 0.02 0.00 2.01 0.00 0.00 34.83 34.60 2aw3 s MET 29 CO 0.50 -0.56 1.07 0.95 -0.01 0.00 0.00 175.02 176.97 2aw3 s THR 30 N -1.52 3.78 0.29 2.05 -4.23 -1.26 -4.85 115.64 109.90 2aw3 s THR 30 Ca 0.63 0.58 0.04 0.00 -1.18 0.00 0.00 61.69 61.77 2aw3 s THR 30 Cb -0.29 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.47 2aw3 s THR 30 CO 0.36 -0.76 1.69 -0.65 -0.54 0.00 0.00 174.62 174.72 2aw3 h PRO 31 N -0.78 0.39 -0.20 3.99 0.11 -1.99 -0.05 132.00 133.47 2aw3 h PRO 31 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2aw3 h PRO 31 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2aw3 h PRO 31 CO 0.59 0.26 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.37 2aw3 h ARG 32 N 0.40 0.46 -0.55 1.05 2.43 -1.96 -2.69 114.38 113.51 2aw3 h ARG 32 Ca 0.57 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 59.56 2aw3 h ARG 32 Cb 1.10 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2aw3 h ARG 32 CO -0.53 0.80 0.37 1.96 -1.51 0.00 0.00 179.97 181.05 2aw3 h GLN 33 N 0.14 0.52 -0.34 0.20 4.20 -1.72 -2.12 115.11 115.99 2aw3 h GLN 33 Ca 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2aw3 h GLN 33 Cb 0.70 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2aw3 h GLN 33 CO 0.04 0.34 0.12 -1.49 -0.67 0.00 0.00 178.83 177.18 2aw3 h TRP 34 N 0.53 0.52 -0.45 2.96 4.06 -0.91 0.16 115.95 122.83 2aw3 h TRP 34 Ca 0.24 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 61.10 2aw3 h TRP 34 Cb 0.26 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 2aw3 h TRP 34 CO -0.00 0.50 0.13 2.35 -3.56 0.00 0.00 178.44 177.86 2aw3 h TRP 35 N 0.39 0.74 -0.75 0.49 7.01 -1.11 -1.32 115.95 121.40 2aw3 h TRP 35 Ca 0.11 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2aw3 h TRP 35 Cb 0.21 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 2aw3 h TRP 35 CO 0.00 0.67 0.38 -0.07 -2.79 0.00 0.00 178.44 176.62 2aw3 h LEU 36 N 0.59 0.97 -0.13 0.65 3.38 -1.17 -2.19 115.31 117.42 2aw3 h LEU 36 Ca 0.14 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2aw3 h LEU 36 Cb 0.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2aw3 h LEU 36 CO -0.00 0.82 -0.34 0.00 0.09 0.00 0.00 178.44 179.00 2aw3 h ALA 37 N 1.19 0.21 -0.44 1.53 0.00 -0.57 -0.96 119.26 120.23 2aw3 h ALA 37 Ca 0.26 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2aw3 h ALA 37 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2aw3 h ALA 37 CO -0.04 0.27 -0.11 -0.39 0.00 0.00 0.00 179.25 178.99 2aw3 h VAL 38 N 0.05 1.26 -0.34 0.00 -1.51 -1.27 -0.40 116.25 114.05 2aw3 h VAL 38 Ca -0.01 -1.17 -0.04 0.00 -1.23 0.00 0.00 66.70 64.25 2aw3 h VAL 38 Cb 0.96 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 2aw3 h VAL 38 CO 0.07 0.40 0.06 0.28 -1.23 0.00 0.00 177.57 177.16 2aw3 h SER 39 N 0.71 0.53 0.03 4.19 0.02 -1.39 -1.74 113.55 115.90 2aw3 h SER 39 Ca 0.12 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2aw3 h SER 39 Cb 0.60 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2aw3 h SER 39 CO 0.04 0.64 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.83 2aw3 h GLU 40 N 0.39 0.32 -0.54 3.45 4.39 -1.03 0.01 114.58 121.58 2aw3 h GLU 40 Ca 0.10 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2aw3 h GLU 40 Cb 0.33 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2aw3 h GLU 40 CO 0.00 0.53 0.05 0.00 -1.16 0.00 0.00 179.01 178.43 2aw3 h ALA 41 N 1.49 0.72 -0.20 3.43 0.00 -0.81 -2.38 119.26 121.52 2aw3 h ALA 41 Ca 0.05 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2aw3 h ALA 41 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2aw3 h ALA 41 CO 0.04 0.50 -0.63 -0.07 0.00 0.00 0.00 179.25 179.09 2aw3 h LEU 42 N 0.80 0.81 -1.15 0.00 3.38 -0.94 -2.33 115.31 115.88 2aw3 h LEU 42 Ca 0.16 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2aw3 h LEU 42 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2aw3 h LEU 42 CO 0.02 1.24 0.24 0.00 0.09 0.00 0.00 178.44 180.02 2aw3 h ALA 43 N 0.77 1.34 -0.18 1.53 0.00 -0.91 0.93 119.26 122.73 2aw3 h ALA 43 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2aw3 h ALA 43 Cb 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2aw3 h ALA 43 CO 0.13 0.50 0.11 0.93 0.00 0.00 0.00 179.25 180.92 2aw3 h GLU 44 N 0.82 0.25 -0.33 0.00 5.08 -1.28 -1.55 114.58 117.57 2aw3 h GLU 44 Ca 0.20 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2aw3 h GLU 44 Cb 0.15 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2aw3 h GLU 44 CO -0.02 0.22 0.17 0.52 -1.00 0.00 0.00 179.01 178.90 2aw3 h MET 45 N 0.21 0.47 -0.69 2.33 2.86 -1.01 -2.32 114.93 116.77 2aw3 h MET 45 Ca 0.07 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2aw3 h MET 45 Cb 0.04 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 2aw3 h MET 45 CO -0.01 0.42 0.46 1.25 1.06 0.00 0.00 176.91 180.09 2aw3 h LEU 46 N 0.41 0.64 0.00 1.22 5.85 -0.73 -2.38 115.31 120.32 2aw3 h LEU 46 Ca 0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2aw3 h LEU 46 Cb 0.10 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2aw3 h LEU 46 CO -0.02 0.42 -0.23 0.03 -0.34 0.00 0.00 178.44 178.31 2aw3 h ARG 47 N 0.74 0.00 0.00 1.25 3.08 -0.90 -3.08 114.38 115.47 2aw3 h ARG 47 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2aw3 h ARG 47 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2aw3 h ARG 47 CO -0.09 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.82 2aw3 n ALA 48 N -2.12 2.21 -1.86 0.04 0.00 -0.90 -4.91 120.51 112.96 2aw3 n ALA 48 Ca 0.03 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 2aw3 n ALA 48 Cb 0.54 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 2aw3 n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aw3 s GLN 49 N -2.90 4.26 0.58 0.00 -1.52 -1.17 -5.04 119.66 113.87 2aw3 s GLN 49 Ca 0.15 1.09 -0.21 0.00 -1.95 0.00 0.00 55.36 54.45 2aw3 s GLN 49 Cb 0.17 -2.34 -0.04 0.00 -0.22 0.00 0.00 33.01 30.58 2aw3 s GLN 49 CO 0.45 0.06 1.35 -0.35 -0.25 0.00 0.00 175.29 176.55 2aw3 n PRO 50 N -0.35 1.54 -2.28 2.91 -0.04 -1.26 -4.92 135.00 130.60 2aw3 n PRO 50 Ca 0.05 0.57 -0.43 0.00 -0.04 0.00 0.00 63.50 63.66 2aw3 n PRO 50 Cb 0.53 -2.57 -0.02 0.00 -0.04 0.00 0.00 33.50 31.39 2aw3 n PRO 50 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2aw3 s PHE 51 N -1.31 2.65 -0.30 0.54 5.36 -1.26 -4.84 117.98 118.81 2aw3 s PHE 51 Ca 0.75 0.77 -0.17 0.00 -0.96 0.00 0.00 56.93 57.33 2aw3 s PHE 51 Cb -0.41 -3.64 -0.02 0.00 -0.34 0.00 0.00 43.02 38.62 2aw3 s PHE 51 CO 0.46 -2.38 0.45 0.00 -1.46 0.00 0.00 175.22 172.29 2aw3 s ALA 52 N 3.31 3.53 0.35 11.12 0.00 -1.25 -4.86 121.76 133.97 2aw3 s ALA 52 Ca 0.61 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2aw3 s ALA 52 Cb -0.27 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 2aw3 s ALA 52 CO 0.21 -0.92 1.06 -1.59 0.00 0.00 0.00 175.76 174.52 2aw3 s LYS 53 N 2.22 4.35 0.54 0.00 -2.85 -1.26 -4.66 119.74 118.08 2aw3 s LYS 53 Ca 0.17 1.59 -0.09 0.00 -1.00 0.00 0.00 55.97 56.64 2aw3 s LYS 53 Cb -0.16 -2.78 0.13 0.00 -2.06 0.00 0.00 37.83 32.97 2aw3 s LYS 53 CO 0.11 0.01 0.55 -0.35 0.10 0.00 0.00 175.35 175.77 2aw3 n PRO 54 N 0.40 -1.53 -2.49 1.78 -0.04 -1.26 -4.99 135.00 126.86 2aw3 n PRO 54 Ca 0.03 -0.87 -0.40 0.00 -0.04 0.00 0.00 63.50 62.21 2aw3 n PRO 54 Cb 0.48 -0.73 -0.04 0.00 -0.04 0.00 0.00 33.50 33.17 2aw3 n PRO 54 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aw3 s VAL 55 N -2.09 3.56 0.64 0.52 1.01 0.47 -4.98 120.40 119.54 2aw3 s VAL 55 Ca 0.34 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 2aw3 s VAL 55 Cb -0.02 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2aw3 s VAL 55 CO 0.25 0.35 1.04 0.00 0.00 0.00 0.00 175.10 176.74 2aw3 s ALA 56 N -1.01 2.99 -1.25 5.51 0.00 -1.26 -4.32 121.76 122.42 2aw3 s ALA 56 Ca 0.45 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2aw3 s ALA 56 Cb -0.31 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 19.73 2aw3 s ALA 56 CO 0.40 -0.83 0.62 0.09 0.00 0.00 0.00 175.76 176.03 2aw3 n ASN 57 N -2.85 -3.63 -4.27 0.00 5.03 -1.26 -5.00 115.26 103.28 2aw3 n ASN 57 Ca 0.06 -1.26 -0.18 0.00 0.87 0.00 0.00 54.58 54.08 2aw3 n ASN 57 Cb 0.54 -1.92 -0.11 0.00 -1.02 0.00 0.00 39.78 37.27 2aw3 n ASN 57 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2aw3 s GLN 58 N -7.23 1.12 0.40 3.52 -0.21 -1.26 -5.12 119.66 110.87 2aw3 s GLN 58 Ca 0.43 -1.37 -0.25 0.00 0.02 0.00 0.00 55.36 54.18 2aw3 s GLN 58 Cb -0.22 -0.92 -0.11 0.00 1.00 0.00 0.00 33.01 32.76 2aw3 s GLN 58 CO 0.96 0.16 1.13 0.54 -2.12 0.00 0.00 175.29 175.96 2aw3 n ARG 59 N 0.16 1.62 -2.64 2.91 1.74 -1.26 -4.95 116.66 114.24 2aw3 n ARG 59 Ca -0.13 0.58 -0.41 0.00 -0.77 0.00 0.00 57.85 57.12 2aw3 n ARG 59 Cb 0.58 -2.16 -0.04 0.00 -1.02 0.00 0.00 32.46 29.82 2aw3 n ARG 59 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2aw3 s HIS 60 N -1.21 3.73 -0.29 -1.55 5.65 0.21 -4.78 115.29 117.05 2aw3 s HIS 60 Ca 0.61 1.72 -0.14 0.00 0.25 0.00 0.00 55.06 57.50 2aw3 s HIS 60 Cb -0.56 -3.14 -0.03 0.00 -1.18 0.00 0.00 32.58 27.66 2aw3 s HIS 60 CO 0.58 -0.13 0.34 0.08 -0.65 0.00 0.00 174.74 174.96 2aw3 s VAL 61 N -0.21 5.19 -0.40 0.89 1.01 -0.80 -1.69 120.40 124.39 2aw3 s VAL 61 Ca 0.47 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 2aw3 s VAL 61 Cb -0.26 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2aw3 s VAL 61 CO 0.32 0.11 0.27 0.20 0.00 0.00 0.00 175.10 176.00 2aw3 s ASN 62 N 1.69 5.96 -0.42 3.32 0.01 -0.06 -1.34 114.94 124.09 2aw3 s ASN 62 Ca 0.13 -0.99 -0.13 0.00 -0.71 0.00 0.00 52.86 51.16 2aw3 s ASN 62 Cb -0.16 -2.10 0.05 0.00 0.41 0.00 0.00 41.25 39.45 2aw3 s ASN 62 CO 0.11 -0.45 0.30 -0.47 -1.51 0.00 0.00 177.10 175.08 2aw3 s TYR 63 N 1.62 3.27 -0.35 2.20 5.04 -0.51 -1.02 117.35 127.59 2aw3 s TYR 63 Ca 0.04 -1.02 -0.12 0.00 -2.44 0.00 0.00 57.07 53.52 2aw3 s TYR 63 Cb -0.20 -2.82 -0.00 0.00 0.35 0.00 0.00 41.96 39.29 2aw3 s TYR 63 CO 0.08 -0.73 0.23 0.42 -1.34 0.00 0.00 175.55 174.21 2aw3 s ILE 64 N 1.57 5.07 0.02 3.14 1.01 -0.82 -1.36 121.20 129.83 2aw3 s ILE 64 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2aw3 s ILE 64 Cb -0.22 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 2aw3 s ILE 64 CO 0.06 -0.07 -0.04 -0.55 0.00 0.00 0.00 174.94 174.34 2aw3 s SER 65 N 1.68 0.41 0.45 3.58 0.15 -1.00 -3.26 113.70 115.70 2aw3 s SER 65 Ca 0.05 -0.40 0.27 0.00 0.70 0.00 0.00 55.95 56.58 2aw3 s SER 65 Cb -0.18 0.05 0.81 0.00 -1.71 0.00 0.00 66.02 64.99 2aw3 s SER 65 CO 0.09 -0.19 1.77 0.24 1.20 0.00 0.00 173.24 176.35 2aw3 h MET 66 N 4.97 0.00 -4.88 5.44 2.86 -1.87 -3.38 114.93 118.07 2aw3 h MET 66 Ca -0.31 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 56.96 2aw3 h MET 66 Cb 1.21 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.62 2aw3 h MET 66 CO 0.43 0.00 -0.77 -1.83 1.06 0.00 0.00 176.91 175.81 2aw3 s GLU 67 N -3.38 0.71 -0.29 1.72 -1.05 -1.26 -4.65 118.70 110.49 2aw3 s GLU 67 Ca 0.05 -0.63 -0.02 0.00 -0.15 0.00 0.00 54.97 54.22 2aw3 s GLU 67 Cb 0.07 -0.64 0.10 0.00 -0.44 0.00 0.00 34.13 33.22 2aw3 s GLU 67 CO 0.60 0.15 0.10 -0.06 0.95 0.00 0.00 175.26 177.00 2aw3 s PHE 68 N -0.84 1.37 -1.25 4.83 0.40 -0.65 -4.24 117.98 117.61 2aw3 s PHE 68 Ca -0.02 -1.47 -0.10 0.00 -0.60 0.00 0.00 56.93 54.74 2aw3 s PHE 68 Cb -0.07 -1.48 0.18 0.00 0.51 0.00 0.00 43.02 42.16 2aw3 s PHE 68 CO 0.01 -0.84 1.72 -0.11 0.70 0.00 0.00 175.22 176.70 2aw3 n LEU 69 N 4.95 6.23 0.13 -0.37 7.94 -0.86 -3.72 117.00 131.30 2aw3 n LEU 69 Ca -0.04 -4.64 -0.01 0.00 -1.11 0.00 0.00 56.01 50.22 2aw3 n LEU 69 Cb 0.43 -1.50 0.14 0.00 0.53 0.00 0.00 43.42 43.01 2aw3 n LEU 69 CO 0.10 1.22 0.46 0.16 -1.11 0.00 0.00 177.39 178.23 2aw3 h ILE 70 N 3.96 1.33 -1.10 1.96 3.07 -1.85 -3.40 117.51 121.47 2aw3 h ILE 70 Ca 0.36 -2.26 0.13 0.00 1.55 0.00 0.00 64.86 64.64 2aw3 h ILE 70 Cb 0.70 2.26 -0.04 0.00 -0.27 0.00 0.00 36.82 39.47 2aw3 h ILE 70 CO 1.49 0.62 -0.20 0.61 -1.05 0.00 0.00 178.15 179.62 2aw3 n GLY 71 N 0.54 -1.62 3.64 0.16 0.00 -1.26 -4.80 105.19 101.85 2aw3 n GLY 71 Ca -0.00 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 44.16 2aw3 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw3 n ARG 72 N -2.30 1.76 -0.03 1.61 1.74 -1.26 -4.49 116.66 113.68 2aw3 n ARG 72 Ca -0.00 0.62 0.02 0.00 -0.77 0.00 0.00 57.85 57.73 2aw3 n ARG 72 Cb 0.22 -2.20 -0.13 0.00 -1.02 0.00 0.00 32.46 29.34 2aw3 n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2aw3 n LEU 73 N 1.85 0.00 0.12 0.55 4.32 -1.26 -4.54 117.00 118.04 2aw3 n LEU 73 Ca 0.11 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.97 2aw3 n LEU 73 Cb 0.30 0.14 -0.08 0.00 -1.62 0.00 0.00 43.42 42.17 2aw3 n LEU 73 CO 0.62 0.14 0.76 0.74 -1.22 0.00 0.00 177.39 178.44 2aw3 h THR 74 N 0.00 0.86 -0.65 -5.08 2.02 -1.96 -0.87 112.91 107.24 2aw3 h THR 74 Ca -0.16 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2aw3 h THR 74 Cb 1.22 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 2aw3 h THR 74 CO 0.01 0.04 0.29 1.23 0.37 0.00 0.00 175.52 177.46 2aw3 h GLY 75 N -0.33 1.03 0.96 2.16 0.00 -1.95 -1.74 103.07 103.21 2aw3 h GLY 75 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.78 2aw3 h GLY 75 CO 0.04 0.51 0.44 -0.57 0.00 0.00 0.00 176.54 176.95 2aw3 h ASN 76 N 0.91 0.74 -0.03 0.19 -1.24 -1.78 -1.40 115.58 112.97 2aw3 h ASN 76 Ca 0.22 -0.01 -0.16 0.00 0.71 0.00 0.00 56.30 57.05 2aw3 h ASN 76 Cb 0.16 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2aw3 h ASN 76 CO -0.02 0.53 -0.54 0.78 -1.29 0.00 0.00 177.43 176.88 2aw3 h ASN 77 N 0.88 0.68 -0.42 1.15 2.35 -0.77 -1.18 115.58 118.27 2aw3 h ASN 77 Ca 0.25 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2aw3 h ASN 77 Cb -0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2aw3 h ASN 77 CO -0.07 1.09 0.26 -0.07 -1.65 0.00 0.00 177.43 176.98 2aw3 h LEU 78 N 0.47 0.50 -0.54 1.61 3.38 -1.13 -2.26 115.31 117.34 2aw3 h LEU 78 Ca 0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2aw3 h LEU 78 Cb 1.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2aw3 h LEU 78 CO 0.11 0.40 -0.04 0.25 0.09 0.00 0.00 178.44 179.24 2aw3 h LEU 79 N 0.56 0.97 -0.75 1.67 6.46 -1.13 0.19 115.31 123.28 2aw3 h LEU 79 Ca 0.15 -0.33 -0.13 0.00 -0.12 0.00 0.00 57.88 57.45 2aw3 h LEU 79 Cb -0.01 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 2aw3 h LEU 79 CO -0.03 1.07 -0.54 0.78 -0.62 0.00 0.00 178.44 179.09 2aw3 h ASN 80 N 0.86 0.24 1.17 1.25 4.21 -1.21 -2.65 115.58 119.45 2aw3 h ASN 80 Ca 0.15 -0.13 -0.04 0.00 1.21 0.00 0.00 56.30 57.49 2aw3 h ASN 80 Cb 0.59 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 2aw3 h ASN 80 CO 0.04 0.74 -0.18 -0.07 -1.29 0.00 0.00 177.43 176.67 2aw3 h LEU 81 N 0.17 0.00 -0.07 1.61 3.38 -1.27 0.26 115.31 119.39 2aw3 h LEU 81 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2aw3 h LEU 81 Cb 1.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 2aw3 h LEU 81 CO 0.08 0.18 -0.09 0.61 0.09 0.00 0.00 178.44 179.32 2aw3 n GLY 82 N 0.40 0.42 0.26 0.83 0.00 0.40 -4.69 105.19 102.80 2aw3 n GLY 82 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.38 2aw3 n GLY 82 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2aw3 n TRP 83 N -3.59 0.03 0.31 1.61 7.02 0.33 -4.74 117.44 118.42 2aw3 n TRP 83 Ca -0.02 -0.07 -0.17 0.00 -1.02 0.00 0.00 57.50 56.22 2aw3 n TRP 83 Cb 0.52 -0.01 -0.09 0.00 -2.42 0.00 0.00 31.31 29.32 2aw3 n TRP 83 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 2aw3 h TYR 84 N 1.19 -0.69 -0.55 -5.99 5.03 -1.90 -1.10 116.97 112.95 2aw3 h TYR 84 Ca 0.00 -0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 2aw3 h TYR 84 Cb 0.31 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 2aw3 h TYR 84 CO 0.02 -0.43 -0.04 0.37 -1.32 0.00 0.00 178.16 176.76 2aw3 h GLN 85 N -0.74 0.98 -0.54 1.82 5.75 -1.92 -1.91 115.11 118.55 2aw3 h GLN 85 Ca -0.08 -0.32 0.10 0.00 -0.15 0.00 0.00 58.65 58.21 2aw3 h GLN 85 Cb 0.57 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 28.95 2aw3 h GLN 85 CO 0.12 0.99 0.07 -0.44 -2.65 0.00 0.00 178.83 176.92 2aw3 h ASP 86 N 0.89 -0.08 -0.36 -0.69 3.32 -1.84 -0.87 116.42 116.79 2aw3 h ASP 86 Ca 0.15 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 2aw3 h ASP 86 Cb 0.57 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2aw3 h ASP 86 CO 0.03 -0.02 -0.09 0.58 -1.72 0.00 0.00 179.24 178.03 2aw3 h VAL 87 N 0.20 1.28 -0.13 -1.35 2.07 -0.86 0.11 116.25 117.57 2aw3 h VAL 87 Ca 0.28 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 2aw3 h VAL 87 Cb 0.41 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2aw3 h VAL 87 CO -0.40 0.38 -0.10 -0.61 0.02 0.00 0.00 177.57 176.87 2aw3 h GLN 88 N 0.49 0.20 -0.05 1.57 4.15 -1.13 0.23 115.11 120.57 2aw3 h GLN 88 Ca 0.09 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2aw3 h GLN 88 Cb 0.60 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 2aw3 h GLN 88 CO 0.04 0.30 -0.07 -0.44 -1.93 0.00 0.00 178.83 176.73 2aw3 h ASP 89 N 0.19 0.15 -0.98 -0.69 3.32 -0.79 -3.14 116.42 114.48 2aw3 h ASP 89 Ca 0.04 -0.53 0.15 0.00 0.02 0.00 0.00 57.03 56.71 2aw3 h ASP 89 Cb 0.29 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.71 2aw3 h ASP 89 CO 0.02 0.65 0.62 0.28 -1.72 0.00 0.00 179.24 179.09 2aw3 h SER 90 N -0.35 0.82 0.43 6.45 0.02 -0.13 -2.49 113.55 118.29 2aw3 h SER 90 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2aw3 h SER 90 Cb 0.62 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2aw3 h SER 90 CO 0.02 0.38 -0.11 0.18 -1.14 0.00 0.00 176.83 176.16 2aw3 n LEU 91 N -4.65 0.38 -0.11 5.07 4.77 0.01 -3.75 117.00 118.72 2aw3 n LEU 91 Ca 0.20 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 2aw3 n LEU 91 Cb 0.46 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2aw3 n LEU 91 CO 0.26 0.07 0.93 0.11 -1.33 0.00 0.00 177.39 177.43 2aw3 h LYS 92 N 0.43 0.47 -0.22 3.23 1.57 -1.39 -2.04 116.57 118.63 2aw3 h LYS 92 Ca 0.00 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2aw3 h LYS 92 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2aw3 h LYS 92 CO 0.00 0.43 0.21 0.00 -0.57 0.00 0.00 179.45 179.52 2aw3 h ALA 93 N 1.02 1.93 -0.01 3.86 0.00 -1.74 0.33 119.26 124.65 2aw3 h ALA 93 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aw3 h ALA 93 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2aw3 h ALA 93 CO -0.02 -0.32 -0.11 0.66 0.00 0.00 0.00 179.25 179.47 2aw3 n TYR 94 N -3.96 0.00 -3.12 0.00 4.01 -0.84 -4.97 117.16 108.28 2aw3 n TYR 94 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 2aw3 n TYR 94 Cb 0.35 -0.04 0.06 0.00 -0.31 0.00 0.00 39.34 39.40 2aw3 n TYR 94 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2aw3 n ASP 95 N 0.03 -2.80 -4.07 7.72 8.00 0.11 -5.00 116.55 120.54 2aw3 n ASP 95 Ca 0.16 -0.44 -0.30 0.00 0.71 0.00 0.00 54.79 54.92 2aw3 n ASP 95 Cb 0.38 -3.90 -0.17 0.00 -0.02 0.00 0.00 41.12 37.42 2aw3 n ASP 95 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2aw3 s ILE 96 N -3.26 1.65 -0.38 0.53 -1.09 -0.83 -5.05 121.20 112.78 2aw3 s ILE 96 Ca 0.10 -0.71 -0.23 0.00 -2.23 0.00 0.00 60.65 57.58 2aw3 s ILE 96 Cb -0.05 -1.51 0.01 0.00 -1.58 0.00 0.00 42.46 39.34 2aw3 s ILE 96 CO 0.54 0.47 0.79 0.21 -1.23 0.00 0.00 174.94 175.72 2aw3 s ASN 97 N 1.14 6.54 0.24 3.58 2.47 -1.26 -4.31 114.94 123.33 2aw3 s ASN 97 Ca -0.02 0.31 -0.06 0.00 0.42 0.00 0.00 52.86 53.50 2aw3 s ASN 97 Cb -0.14 -2.40 0.24 0.00 -1.45 0.00 0.00 41.25 37.50 2aw3 s ASN 97 CO -0.05 -0.76 1.86 0.25 -3.72 0.00 0.00 177.10 174.68 2aw3 h LEU 98 N 9.81 1.10 -0.52 3.21 5.85 -1.95 -1.99 115.31 130.81 2aw3 h LEU 98 Ca -0.25 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.48 2aw3 h LEU 98 Cb 1.09 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.75 2aw3 h LEU 98 CO 0.92 0.89 -0.00 0.74 -0.34 0.00 0.00 178.44 180.64 2aw3 h THR 99 N 1.23 0.58 -0.23 1.05 2.02 -2.00 -1.52 112.91 114.04 2aw3 h THR 99 Ca 0.31 -0.04 -0.20 0.00 0.77 0.00 0.00 66.41 67.25 2aw3 h THR 99 Cb 0.03 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2aw3 h THR 99 CO -0.05 0.02 -0.64 0.44 0.37 0.00 0.00 175.52 175.66 2aw3 h ASP 100 N 0.11 0.96 -0.97 4.18 3.32 -1.84 -3.15 116.42 119.04 2aw3 h ASP 100 Ca 0.27 -0.57 0.08 0.00 0.02 0.00 0.00 57.03 56.82 2aw3 h ASP 100 Cb 0.41 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 2aw3 h ASP 100 CO -0.44 1.37 0.63 0.25 -1.72 0.00 0.00 179.24 179.32 2aw3 h LEU 101 N 0.61 0.96 -2.10 1.55 6.46 -0.84 -2.02 115.31 119.92 2aw3 h LEU 101 Ca -0.01 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 2aw3 h LEU 101 Cb 1.26 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.01 2aw3 h LEU 101 CO 0.14 0.58 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.39 2aw3 h LEU 102 N 1.07 0.00 -0.79 2.25 3.38 -1.25 -1.48 115.31 118.50 2aw3 h LEU 102 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2aw3 h LEU 102 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2aw3 h LEU 102 CO -0.19 0.08 0.00 -0.33 0.09 0.00 0.00 178.44 178.09 2aw3 h GLU 103 N 0.00 0.00 0.00 1.13 4.39 -1.43 -2.24 114.58 116.44 2aw3 h GLU 103 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2aw3 h GLU 103 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2aw3 h GLU 103 CO 0.01 0.00 0.00 0.93 -1.16 0.00 0.00 179.01 178.79 2aw3 h GLU 104 N 0.00 0.00 -6.20 2.33 4.39 -1.34 -3.44 114.58 110.33 2aw3 h GLU 104 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2aw3 h GLU 104 Cb 0.39 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 2aw3 h GLU 104 CO 0.00 0.00 0.73 -2.00 -1.16 0.00 0.00 179.01 176.58 2aw3 s GLU 105 N -3.79 4.32 -0.17 2.33 2.12 -0.84 -4.99 118.70 117.68 2aw3 s GLU 105 Ca -0.01 1.50 -0.28 0.00 0.36 0.00 0.00 54.97 56.54 2aw3 s GLU 105 Cb 0.10 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 2aw3 s GLU 105 CO 0.43 -0.51 0.95 0.42 -0.54 0.00 0.00 175.26 176.01 2aw3 s ILE 106 N 2.70 4.79 -0.06 -3.70 1.01 -1.26 -4.94 121.20 119.73 2aw3 s ILE 106 Ca 0.50 1.89 -0.37 0.00 0.00 0.00 0.00 60.65 62.67 2aw3 s ILE 106 Cb -0.20 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.87 2aw3 s ILE 106 CO 0.15 -0.04 1.58 0.47 0.00 0.00 0.00 174.94 177.10 2aw3 n ASP 107 N 5.49 2.29 -4.67 3.58 9.92 -1.26 -4.84 116.55 127.05 2aw3 n ASP 107 Ca 0.08 1.08 -0.59 0.00 -0.53 0.00 0.00 54.79 54.83 2aw3 n ASP 107 Cb 0.48 -1.22 -0.08 0.00 -0.64 0.00 0.00 41.12 39.66 2aw3 n ASP 107 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2aw3 n PRO 108 N 4.17 0.77 -2.35 -0.24 -0.02 -1.26 -4.79 135.00 131.27 2aw3 n PRO 108 Ca 0.22 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2aw3 n PRO 108 Cb 0.19 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2aw3 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aw3 n ALA 109 N 4.03 5.01 0.09 3.55 0.00 -1.26 -4.60 120.51 127.33 2aw3 n ALA 109 Ca 0.25 -4.19 0.01 0.00 0.00 0.00 0.00 53.44 49.51 2aw3 n ALA 109 Cb 0.09 -3.14 0.02 0.00 0.00 0.00 0.00 19.45 16.42 2aw3 n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aw3 n LEU 110 N 4.88 1.40 -3.92 0.00 4.77 -1.26 -2.82 117.00 120.04 2aw3 n LEU 110 Ca 0.42 -1.17 -0.11 0.00 -0.03 0.00 0.00 56.01 55.12 2aw3 n LEU 110 Cb 0.39 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2aw3 n LEU 110 CO 0.79 0.33 0.37 -0.83 -1.33 0.00 0.00 177.39 176.72 2aw3 s GLY 111 N -0.36 0.78 0.19 -0.72 0.00 -1.24 -1.63 107.32 104.34 2aw3 s GLY 111 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2aw3 s GLY 111 CO 0.03 -0.57 0.00 -2.01 0.00 0.00 0.00 173.10 170.55 2aw3 n ASN 112 N -1.32 0.52 0.00 1.64 5.15 -1.26 -4.61 115.26 115.37 2aw3 n ASN 112 Ca -0.04 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2aw3 n ASN 112 Cb 0.61 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 2aw3 n ASN 112 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2aw3 n GLY 113 N 2.59 5.46 0.35 8.20 0.00 -1.26 -4.97 105.19 115.56 2aw3 n GLY 113 Ca 0.00 -0.92 0.18 0.00 0.00 0.00 0.00 46.02 45.27 2aw3 n GLY 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aw3 h GLY 114 N 0.00 0.00 0.68 -0.02 0.00 -2.02 -1.29 103.07 100.43 2aw3 h GLY 114 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2aw3 h GLY 114 CO 0.00 0.00 -0.35 -2.00 0.00 0.00 0.00 176.54 174.19 2aw3 h LEU 115 N 0.00 0.41 0.10 3.11 5.85 -1.96 -0.76 115.31 122.06 2aw3 h LEU 115 Ca 0.16 -0.67 0.02 0.00 0.84 0.00 0.00 57.88 58.23 2aw3 h LEU 115 Cb 0.72 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2aw3 h LEU 115 CO -0.00 1.01 -0.19 1.23 -0.34 0.00 0.00 178.44 180.15 2aw3 h GLY 116 N -0.17 -0.34 1.85 3.75 0.00 -1.56 -1.71 103.07 104.89 2aw3 h GLY 116 Ca -0.03 0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 2aw3 h GLY 116 CO 0.07 -0.18 -0.25 -0.09 0.00 0.00 0.00 176.54 176.09 2aw3 h ARG 117 N -0.36 0.18 -0.15 4.80 9.65 -1.29 -1.92 114.38 125.28 2aw3 h ARG 117 Ca 0.03 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2aw3 h ARG 117 Cb 0.39 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2aw3 h ARG 117 CO -0.11 0.43 0.06 1.25 2.80 0.00 0.00 179.97 184.39 2aw3 h LEU 118 N 0.16 0.21 -0.74 3.80 6.46 -0.98 -0.98 115.31 123.24 2aw3 h LEU 118 Ca 0.03 -0.17 0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2aw3 h LEU 118 Cb 0.54 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 2aw3 h LEU 118 CO 0.04 0.33 0.45 0.00 -0.62 0.00 0.00 178.44 178.64 2aw3 h ALA 119 N 0.89 0.99 -0.21 1.25 0.00 -1.08 0.47 119.26 121.57 2aw3 h ALA 119 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2aw3 h ALA 119 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2aw3 h ALA 119 CO -0.00 0.21 0.03 0.00 0.00 0.00 0.00 179.25 179.49 2aw3 h ALA 120 N 1.34 0.28 -0.57 0.00 0.00 -1.30 -1.69 119.26 117.31 2aw3 h ALA 120 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2aw3 h ALA 120 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2aw3 h ALA 120 CO -0.14 -0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.43 2aw3 h PHE 122 N 0.77 0.63 -0.59 0.00 -1.00 0.03 -0.99 116.94 115.79 2aw3 h PHE 122 Ca 0.21 -0.03 0.07 0.00 2.81 0.00 0.00 57.97 61.02 2aw3 h PHE 122 Cb -0.03 -0.19 -0.06 0.00 3.61 0.00 0.00 35.95 39.28 2aw3 h PHE 122 CO -0.02 0.51 0.28 -0.07 -1.61 0.00 0.00 178.31 177.40 2aw3 h LEU 123 N 0.56 0.38 -0.53 1.54 3.38 -1.02 0.62 115.31 120.25 2aw3 h LEU 123 Ca 0.15 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2aw3 h LEU 123 Cb 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2aw3 h LEU 123 CO -0.02 0.24 0.25 -0.78 0.09 0.00 0.00 178.44 178.22 2aw3 h ASP 124 N 0.53 0.69 -0.49 -0.43 3.58 -0.86 -1.28 116.42 118.16 2aw3 h ASP 124 Ca 0.28 -0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.50 2aw3 h ASP 124 Cb 0.24 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2aw3 h ASP 124 CO -0.22 0.64 -0.01 0.28 -2.88 0.00 0.00 179.24 177.05 2aw3 h SER 125 N 0.70 0.90 -0.70 2.28 0.02 -0.88 -1.81 113.55 114.06 2aw3 h SER 125 Ca 0.18 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 2aw3 h SER 125 Cb 0.13 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2aw3 h SER 125 CO -0.02 0.96 0.19 0.24 -1.14 0.00 0.00 176.83 177.06 2aw3 h MET 126 N 0.85 1.11 -0.61 3.45 2.86 -0.59 -0.10 114.93 121.89 2aw3 h MET 126 Ca 0.16 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2aw3 h MET 126 Cb 0.52 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2aw3 h MET 126 CO 0.03 0.97 0.38 0.00 1.06 0.00 0.00 176.91 179.35 2aw3 h ALA 127 N 1.09 0.78 -0.34 6.32 0.00 -1.14 0.20 119.26 126.15 2aw3 h ALA 127 Ca 0.22 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2aw3 h ALA 127 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2aw3 h ALA 127 CO -0.00 0.24 -0.32 1.15 0.00 0.00 0.00 179.25 180.31 2aw3 h THR 128 N 0.83 1.28 -0.34 0.00 2.02 -0.93 -2.89 112.91 112.87 2aw3 h THR 128 Ca 0.22 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.93 2aw3 h THR 128 Cb -0.05 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2aw3 h THR 128 CO -0.04 0.48 0.00 1.33 0.37 0.00 0.00 175.52 177.66 2aw3 n VAL 129 N -4.07 0.44 -2.47 3.16 0.24 -0.09 -4.75 118.33 110.79 2aw3 n VAL 129 Ca -0.01 -0.58 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 2aw3 n VAL 129 Cb 0.49 0.59 0.01 0.00 -1.47 0.00 0.00 33.84 33.46 2aw3 n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aw3 n GLY 130 N 1.32 -0.12 3.59 7.63 0.00 -0.74 -4.79 105.19 112.08 2aw3 n GLY 130 Ca 0.18 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2aw3 n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aw3 s GLN 131 N -4.93 3.68 0.12 1.61 2.00 -0.02 -0.39 119.66 121.73 2aw3 s GLN 131 Ca 0.09 0.39 -0.33 0.00 -2.00 0.00 0.00 55.36 53.51 2aw3 s GLN 131 Cb -0.04 -3.88 -0.13 0.00 0.80 0.00 0.00 33.01 29.77 2aw3 s GLN 131 CO 0.11 -1.16 1.69 0.45 -0.50 0.00 0.00 175.29 175.88 2aw3 n SER 132 N 7.16 3.44 -3.50 6.67 2.88 -1.26 -4.41 113.62 124.60 2aw3 n SER 132 Ca 0.08 1.05 -0.16 0.00 -1.33 0.00 0.00 58.87 58.50 2aw3 n SER 132 Cb 0.48 -1.46 -0.05 0.00 -0.75 0.00 0.00 64.21 62.44 2aw3 n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aw3 s ALA 133 N 1.74 -1.69 -0.09 -1.46 0.00 -1.26 -1.91 121.76 117.09 2aw3 s ALA 133 Ca 0.81 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.83 2aw3 s ALA 133 Cb -0.62 0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2aw3 s ALA 133 CO 0.39 -0.49 -0.13 0.99 0.00 0.00 0.00 175.76 176.52 2aw3 s THR 134 N -1.97 1.29 0.17 0.00 2.01 -0.45 -4.30 115.64 112.38 2aw3 s THR 134 Ca -0.07 -0.53 -0.24 0.00 0.31 0.00 0.00 61.69 61.15 2aw3 s THR 134 Cb -0.00 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 2aw3 s THR 134 CO 0.03 0.40 0.75 -0.83 -0.69 0.00 0.00 174.62 174.28 2aw3 s GLY 135 N 0.89 2.85 -0.18 4.40 0.00 -0.65 -1.43 107.32 113.21 2aw3 s GLY 135 Ca -0.10 0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.94 2aw3 s GLY 135 CO 0.01 0.78 -0.13 -0.19 0.00 0.00 0.00 173.10 173.57 2aw3 s TYR 136 N -1.20 2.38 0.00 1.90 2.02 -0.47 -0.50 117.35 121.47 2aw3 s TYR 136 Ca 0.36 -1.47 0.00 0.00 -0.37 0.00 0.00 57.07 55.59 2aw3 s TYR 136 Cb -0.22 -1.66 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2aw3 s TYR 136 CO 0.25 -0.72 0.00 0.41 -1.57 0.00 0.00 175.55 173.91 2aw3 n GLY 137 N 4.71 5.11 3.24 0.71 0.00 -0.42 -2.37 105.19 116.16 2aw3 n GLY 137 Ca -0.16 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 2aw3 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw3 s LEU 138 N 0.00 2.04 -1.23 0.99 1.43 -1.26 -1.67 118.68 118.98 2aw3 s LEU 138 Ca 0.00 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2aw3 s LEU 138 Cb 0.00 -1.16 0.19 0.00 0.03 0.00 0.00 46.19 45.25 2aw3 s LEU 138 CO 0.00 0.26 1.67 -3.20 0.23 0.00 0.00 176.35 175.31 2aw3 n ASN 139 N 2.62 5.30 -4.71 2.29 4.05 -0.45 -4.77 115.26 119.58 2aw3 n ASN 139 Ca -0.16 -3.10 -0.42 0.00 0.45 0.00 0.00 54.58 51.35 2aw3 n ASN 139 Cb 0.52 -1.48 -0.03 0.00 1.23 0.00 0.00 39.78 40.03 2aw3 n ASN 139 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2aw3 n TYR 140 N 4.01 2.74 0.06 1.20 4.01 -1.26 -4.84 117.16 123.08 2aw3 n TYR 140 Ca 0.37 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 2aw3 n TYR 140 Cb 0.38 -2.69 0.31 0.00 -0.31 0.00 0.00 39.34 37.03 2aw3 n TYR 140 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2aw3 h GLN 141 N 7.13 0.38 0.00 -0.72 4.15 -0.79 -3.38 115.11 121.88 2aw3 h GLN 141 Ca -0.44 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 58.88 2aw3 h GLN 141 Cb 1.20 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2aw3 h GLN 141 CO 0.96 0.51 -0.22 0.66 -1.93 0.00 0.00 178.83 178.81 2aw3 n TYR 142 N -4.24 0.00 -3.22 3.99 4.01 -0.13 -4.22 117.16 113.35 2aw3 n TYR 142 Ca 0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2aw3 n TYR 142 Cb 0.29 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2aw3 n TYR 142 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aw3 n GLY 143 N -0.24 1.93 0.02 2.72 0.00 -1.13 -1.10 105.19 107.40 2aw3 n GLY 143 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 2aw3 n GLY 143 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aw3 h LEU 144 N 0.00 0.00 -7.02 0.99 5.85 -1.80 0.34 115.31 113.67 2aw3 h LEU 144 Ca 0.00 0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.03 2aw3 h LEU 144 Cb 0.00 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 40.84 2aw3 h LEU 144 CO 0.00 0.25 0.91 0.72 -0.34 0.00 0.00 178.44 179.99 2aw3 s PHE 145 N -1.35 -0.05 -0.27 1.25 -0.12 -1.26 -4.77 117.98 111.40 2aw3 s PHE 145 Ca -0.03 0.02 -0.14 0.00 -0.05 0.00 0.00 56.93 56.74 2aw3 s PHE 145 Cb 0.00 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 2aw3 s PHE 145 CO 0.04 -0.10 0.33 0.50 -0.05 0.00 0.00 175.22 175.93 2aw3 s ARG 146 N -2.20 4.00 -0.09 1.99 3.52 0.23 -4.72 118.95 121.67 2aw3 s ARG 146 Ca 0.12 -0.05 -0.19 0.00 -0.13 0.00 0.00 55.73 55.48 2aw3 s ARG 146 Cb 0.00 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2aw3 s ARG 146 CO -0.04 -0.25 0.52 -1.14 -0.81 0.00 0.00 175.30 173.58 2aw3 s GLN 147 N 1.99 4.33 0.35 5.12 0.74 -1.26 -1.76 119.66 129.17 2aw3 s GLN 147 Ca 0.13 0.55 0.04 0.00 0.05 0.00 0.00 55.36 56.13 2aw3 s GLN 147 Cb -0.16 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 2aw3 s GLN 147 CO 0.10 0.19 0.16 -1.54 -0.55 0.00 0.00 175.29 173.66 2aw3 s SER 148 N 0.48 2.06 -0.07 6.67 1.04 -0.92 -3.66 113.70 119.29 2aw3 s SER 148 Ca 0.28 -1.63 0.03 0.00 0.48 0.00 0.00 55.95 55.12 2aw3 s SER 148 Cb -0.16 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2aw3 s SER 148 CO 0.12 -0.92 -0.17 -0.36 0.98 0.00 0.00 173.24 172.89 2aw3 s PHE 149 N -3.42 1.85 -0.09 5.02 0.08 -1.26 -0.25 117.98 119.91 2aw3 s PHE 149 Ca 0.32 -0.70 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 2aw3 s PHE 149 Cb 0.04 -1.29 0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2aw3 s PHE 149 CO 0.18 -0.31 0.01 0.08 -0.10 0.00 0.00 175.22 175.08 2aw3 s VAL 150 N 0.47 0.41 -1.64 -0.44 1.01 -0.73 -4.74 120.40 114.74 2aw3 s VAL 150 Ca -0.14 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2aw3 s VAL 150 Cb -0.16 -0.62 0.13 0.00 0.00 0.00 0.00 36.38 35.73 2aw3 s VAL 150 CO 0.05 0.19 0.76 0.47 0.00 0.00 0.00 175.10 176.57 2aw3 n ASP 151 N 5.13 -3.06 0.00 3.32 8.00 -1.26 -1.65 116.55 127.03 2aw3 n ASP 151 Ca -0.07 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2aw3 n ASP 151 Cb 0.50 -2.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 2aw3 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aw3 n GLY 152 N -1.52 1.26 3.64 0.44 0.00 -1.26 -5.01 105.19 102.73 2aw3 n GLY 152 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2aw3 n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw3 s LYS 153 N -0.15 2.38 0.15 1.61 1.02 -0.66 -3.88 119.74 120.20 2aw3 s LYS 153 Ca 0.00 -0.91 -0.31 0.00 0.02 0.00 0.00 55.97 54.76 2aw3 s LYS 153 Cb 0.00 -2.44 -0.11 0.00 -0.52 0.00 0.00 37.83 34.76 2aw3 s LYS 153 CO 0.00 0.53 1.81 0.94 -0.92 0.00 0.00 175.35 177.71 2aw3 n GLN 154 N 0.64 2.80 -4.53 1.68 7.27 -1.26 -1.77 117.38 122.20 2aw3 n GLN 154 Ca -0.12 1.02 -0.34 0.00 0.07 0.00 0.00 57.00 57.63 2aw3 n GLN 154 Cb 0.52 -2.90 -0.11 0.00 2.41 0.00 0.00 30.24 30.16 2aw3 n GLN 154 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2aw3 s VAL 155 N 2.30 3.81 -0.25 1.69 1.01 0.65 -4.90 120.40 124.70 2aw3 s VAL 155 Ca 0.80 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 2aw3 s VAL 155 Cb -0.49 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2aw3 s VAL 155 CO 0.36 0.56 0.12 -1.61 0.00 0.00 0.00 175.10 174.53 2aw3 s GLU 156 N -0.39 3.85 0.21 2.72 8.01 -1.26 -2.17 118.70 129.67 2aw3 s GLU 156 Ca 0.06 -0.38 0.10 0.00 0.01 0.00 0.00 54.97 54.76 2aw3 s GLU 156 Cb -0.12 -3.44 -0.05 0.00 -4.31 0.00 0.00 34.13 26.21 2aw3 s GLU 156 CO 0.02 -0.09 -0.20 0.00 0.01 0.00 0.00 175.26 175.01 2aw3 s ALA 157 N 1.41 2.37 0.26 5.21 0.00 -0.73 -4.94 121.76 125.34 2aw3 s ALA 157 Ca 0.06 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 50.03 2aw3 s ALA 157 Cb -0.15 -0.23 -0.12 0.00 0.00 0.00 0.00 23.12 22.62 2aw3 s ALA 157 CO 0.06 0.27 1.56 -2.30 0.00 0.00 0.00 175.76 175.35 2aw3 n PRO 158 N -0.11 2.49 -2.80 0.00 -0.02 -1.26 0.74 135.00 134.04 2aw3 n PRO 158 Ca -0.10 0.89 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 2aw3 n PRO 158 Cb 0.58 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2aw3 n PRO 158 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2aw3 n ASP 159 N 2.45 5.32 -4.67 2.55 -0.08 -0.26 -4.39 116.55 117.48 2aw3 n ASP 159 Ca 0.11 -3.07 -0.43 0.00 -1.51 0.00 0.00 54.79 49.89 2aw3 n ASP 159 Cb 0.34 -1.49 -0.02 0.00 2.34 0.00 0.00 41.12 42.29 2aw3 n ASP 159 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2aw3 s ASP 160 N 1.59 7.02 -0.09 1.67 -1.08 -1.26 -3.85 116.67 120.67 2aw3 s ASP 160 Ca 0.39 1.65 0.14 0.00 -0.52 0.00 0.00 52.55 54.21 2aw3 s ASP 160 Cb 0.01 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.13 2aw3 s ASP 160 CO 0.00 -0.68 1.10 -2.67 0.52 0.00 0.00 175.17 173.44 2aw3 n TRP 161 N 6.11 0.00 -3.62 -5.34 4.27 -1.26 -4.98 117.44 112.62 2aw3 n TRP 161 Ca 0.12 -0.81 -0.23 0.00 -3.89 0.00 0.00 57.50 52.69 2aw3 n TRP 161 Cb 0.46 -0.12 0.07 0.00 -1.36 0.00 0.00 31.31 30.35 2aw3 n TRP 161 CO 0.00 0.00 0.00 0.72 -2.29 0.00 0.00 177.69 176.12 2aw3 n HIS 162 N -1.13 -2.46 -0.38 -2.67 8.25 -1.26 -4.84 115.22 110.73 2aw3 n HIS 162 Ca 0.11 0.95 -0.00 0.00 -0.26 0.00 0.00 57.72 58.53 2aw3 n HIS 162 Cb 0.57 -4.79 0.05 0.00 1.12 0.00 0.00 29.99 26.94 2aw3 n HIS 162 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2aw3 n ARG 163 N -4.61 -0.21 0.00 -0.41 0.63 -1.26 -1.40 116.66 109.40 2aw3 n ARG 163 Ca -0.11 1.53 0.14 0.00 -0.92 0.00 0.00 57.85 58.49 2aw3 n ARG 163 Cb 0.60 -2.28 0.67 0.00 0.45 0.00 0.00 32.46 31.90 2aw3 n ARG 163 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2aw3 n SER 164 N -5.49 0.00 -0.82 6.15 3.41 -1.26 -1.82 113.62 113.79 2aw3 n SER 164 Ca 0.11 0.16 0.07 0.00 -0.26 0.00 0.00 58.87 58.95 2aw3 n SER 164 Cb 0.41 -0.38 0.20 0.00 -0.26 0.00 0.00 64.21 64.18 2aw3 n SER 164 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2aw3 n ASN 165 N -1.38 3.18 -4.68 4.04 3.02 -0.49 -5.02 115.26 113.93 2aw3 n ASN 165 Ca 0.11 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 2aw3 n ASN 165 Cb 0.27 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 2aw3 n ASN 165 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2aw3 s TYR 166 N -1.00 2.10 -0.15 3.10 5.04 -0.76 -4.84 117.35 120.83 2aw3 s TYR 166 Ca 0.30 0.04 0.30 0.00 -2.44 0.00 0.00 57.07 55.26 2aw3 s TYR 166 Cb 0.16 -4.10 1.14 0.00 0.35 0.00 0.00 41.96 39.50 2aw3 s TYR 166 CO 0.20 -4.58 1.87 -1.00 -1.34 0.00 0.00 175.55 170.70 2aw3 h PRO 167 N 8.86 0.00 -0.01 4.97 0.13 -1.91 -2.96 132.00 141.09 2aw3 h PRO 167 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2aw3 h PRO 167 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2aw3 h PRO 167 CO 0.94 0.00 -0.13 0.91 -0.23 0.00 0.00 178.00 179.49 2aw3 n TRP 168 N -2.81 0.00 -2.60 1.56 7.02 -1.26 -4.54 117.44 114.81 2aw3 n TRP 168 Ca 0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.16 2aw3 n TRP 168 Cb 0.31 -0.14 -0.04 0.00 -2.42 0.00 0.00 31.31 29.02 2aw3 n TRP 168 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2aw3 s PHE 169 N -2.40 3.07 0.17 -5.99 0.08 -1.12 -4.39 117.98 107.39 2aw3 s PHE 169 Ca 0.30 1.59 0.05 0.00 0.12 0.00 0.00 56.93 58.99 2aw3 s PHE 169 Cb 0.20 -3.02 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 2aw3 s PHE 169 CO 0.46 -0.67 -0.11 -0.98 -0.10 0.00 0.00 175.22 173.82 2aw3 s ARG 170 N -3.19 1.14 -0.25 0.44 1.70 -0.22 -4.96 118.95 113.62 2aw3 s ARG 170 Ca 0.66 -1.50 -0.03 0.00 -0.47 0.00 0.00 55.73 54.39 2aw3 s ARG 170 Cb -0.15 -0.77 0.10 0.00 -0.57 0.00 0.00 34.95 33.56 2aw3 s ARG 170 CO 0.19 0.10 0.19 -1.58 -1.08 0.00 0.00 175.30 173.13 2aw3 s HIS 171 N -3.22 -0.07 -0.60 5.89 2.46 -1.26 -0.90 115.29 117.58 2aw3 s HIS 171 Ca 0.19 -0.33 -0.20 0.00 0.47 0.00 0.00 55.06 55.19 2aw3 s HIS 171 Cb 0.02 -0.61 0.09 0.00 -0.13 0.00 0.00 32.58 31.95 2aw3 s HIS 171 CO 0.03 -0.76 0.76 1.21 -2.47 0.00 0.00 174.74 173.51 2aw3 s ASN 172 N 2.24 6.18 0.61 9.88 3.84 -1.26 -4.92 114.94 131.52 2aw3 s ASN 172 Ca 0.08 -1.31 0.27 0.00 0.21 0.00 0.00 52.86 52.11 2aw3 s ASN 172 Cb -0.15 -2.33 1.31 0.00 -0.55 0.00 0.00 41.25 39.52 2aw3 s ASN 172 CO -0.26 -1.18 1.73 1.05 -2.79 0.00 0.00 177.10 175.65 2aw3 h GLU 173 N 9.27 0.00 0.00 0.43 4.11 -1.99 -1.26 114.58 125.15 2aw3 h GLU 173 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2aw3 h GLU 173 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2aw3 h GLU 173 CO 1.12 0.00 0.00 0.00 0.07 0.00 0.00 179.01 180.20 2aw3 n ALA 174 N -2.17 2.09 1.36 1.06 0.00 -1.26 -1.97 120.51 119.63 2aw3 n ALA 174 Ca 0.08 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2aw3 n ALA 174 Cb 0.78 -1.36 0.41 0.00 0.00 0.00 0.00 19.45 19.28 2aw3 n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aw3 n LEU 175 N -1.39 1.78 -4.66 0.00 4.77 -0.47 -4.96 117.00 112.06 2aw3 n LEU 175 Ca 0.08 -0.59 -0.38 0.00 -0.03 0.00 0.00 56.01 55.09 2aw3 n LEU 175 Cb 0.22 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2aw3 n LEU 175 CO 0.19 0.30 0.68 0.47 -1.33 0.00 0.00 177.39 177.70 2aw3 n ASP 176 N 0.33 1.34 -3.95 -1.43 8.00 -0.83 -4.68 116.55 115.32 2aw3 n ASP 176 Ca 0.17 0.85 -0.18 0.00 0.71 0.00 0.00 54.79 56.34 2aw3 n ASP 176 Cb 0.41 -1.45 -0.15 0.00 -0.02 0.00 0.00 41.12 39.91 2aw3 n ASP 176 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2aw3 s VAL 177 N -1.44 0.53 -0.15 2.53 0.11 -0.77 -4.96 120.40 116.24 2aw3 s VAL 177 Ca 0.76 -0.23 -0.21 0.00 -2.93 0.00 0.00 61.98 59.37 2aw3 s VAL 177 Cb -0.42 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2aw3 s VAL 177 CO 0.47 0.18 0.63 -1.10 -3.33 0.00 0.00 175.10 171.94 2aw3 s GLN 178 N 0.22 4.30 -0.15 1.54 -1.52 -1.26 -0.32 119.66 122.46 2aw3 s GLN 178 Ca -0.03 0.67 -0.00 0.00 -1.95 0.00 0.00 55.36 54.05 2aw3 s GLN 178 Cb -0.07 -3.51 0.03 0.00 -0.22 0.00 0.00 33.01 29.24 2aw3 s GLN 178 CO -0.00 -0.08 -0.07 0.08 -0.25 0.00 0.00 175.29 174.96 2aw3 s VAL 179 N 1.37 1.17 0.48 1.09 1.01 0.26 -4.98 120.40 120.80 2aw3 s VAL 179 Ca 0.31 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2aw3 s VAL 179 Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2aw3 s VAL 179 CO 0.12 0.24 0.79 -0.83 0.00 0.00 0.00 175.10 175.42 2aw3 s GLY 180 N 1.62 1.52 -0.04 4.51 0.00 -1.26 -0.85 107.32 112.82 2aw3 s GLY 180 Ca 0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 44.72 43.97 2aw3 s GLY 180 CO -0.08 -0.32 0.62 -1.50 0.00 0.00 0.00 173.10 171.82 2aw3 s ILE 181 N -2.73 0.01 0.00 0.90 2.07 -0.86 -4.96 121.20 115.63 2aw3 s ILE 181 Ca 0.48 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 2aw3 s ILE 181 Cb -0.10 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.55 2aw3 s ILE 181 CO 0.44 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 174.04 2aw3 n GLY 182 N 0.94 1.07 7.00 1.50 0.00 0.83 -1.96 105.19 114.58 2aw3 n GLY 182 Ca -0.19 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2aw3 n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw3 n GLY 183 N 0.00 0.20 3.28 -0.02 0.00 -1.26 -4.07 105.19 103.33 2aw3 n GLY 183 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2aw3 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aw3 s LYS 184 N 0.00 0.99 0.42 1.61 -2.85 -0.74 -4.86 119.74 114.30 2aw3 s LYS 184 Ca 0.00 -0.74 0.07 0.00 -1.00 0.00 0.00 55.97 54.30 2aw3 s LYS 184 Cb 0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 2aw3 s LYS 184 CO 0.00 -0.36 0.19 0.08 0.10 0.00 0.00 175.35 175.36 2aw3 s VAL 185 N -3.67 2.23 0.00 1.79 1.01 -1.26 -0.41 120.40 120.09 2aw3 s VAL 185 Ca 0.03 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2aw3 s VAL 185 Cb 0.02 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2aw3 s VAL 185 CO -0.11 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.34 2aw3 n THR 186 N -1.28 0.00 0.02 3.92 -2.24 -1.11 -4.98 114.28 108.61 2aw3 n THR 186 Ca -0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 2aw3 n THR 186 Cb 0.65 -1.88 -0.13 0.00 -2.10 0.00 0.00 70.33 66.86 2aw3 n THR 186 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2aw3 h LYS 187 N 0.00 0.07 -1.90 -0.78 6.56 -2.02 -3.40 116.57 115.09 2aw3 h LYS 187 Ca 0.00 -0.11 -0.15 0.00 -1.06 0.00 0.00 60.65 59.33 2aw3 h LYS 187 Cb 0.00 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.64 2aw3 h LYS 187 CO 0.00 0.81 0.04 -0.40 -2.06 0.00 0.00 179.45 177.83 2aw3 n ASP 188 N -3.24 5.65 0.00 0.86 5.75 -1.26 -4.89 116.55 119.42 2aw3 n ASP 188 Ca -0.12 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 2aw3 n ASP 188 Cb 1.02 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2aw3 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aw3 n GLY 189 N 1.42 2.76 3.64 6.12 0.00 -1.26 -4.98 105.19 112.89 2aw3 n GLY 189 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2aw3 n GLY 189 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aw3 s ARG 190 N -0.05 4.08 -0.23 1.61 3.52 -1.26 -4.78 118.95 121.83 2aw3 s ARG 190 Ca 0.00 1.35 -0.23 0.00 -0.13 0.00 0.00 55.73 56.72 2aw3 s ARG 190 Cb 0.00 -3.79 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 2aw3 s ARG 190 CO 0.00 -0.90 0.76 -0.46 -0.81 0.00 0.00 175.30 173.89 2aw3 s TRP 191 N 3.84 3.32 -0.59 5.12 -0.00 -1.26 -2.76 118.94 126.61 2aw3 s TRP 191 Ca 0.52 1.05 -0.03 0.00 -0.00 0.00 0.00 56.10 57.64 2aw3 s TRP 191 Cb -0.17 -2.97 0.15 0.00 -0.00 0.00 0.00 33.47 30.49 2aw3 s TRP 191 CO 0.17 -0.34 0.40 -1.21 -0.00 0.00 0.00 176.95 175.98 2aw3 s GLU 192 N 2.58 2.49 0.80 5.86 2.02 0.45 -5.00 118.70 127.90 2aw3 s GLU 192 Ca 0.32 -2.39 -0.13 0.00 0.02 0.00 0.00 54.97 52.80 2aw3 s GLU 192 Cb -0.16 -3.73 0.08 0.00 0.10 0.00 0.00 34.13 30.43 2aw3 s GLU 192 CO 0.08 -1.16 1.18 -2.14 0.02 0.00 0.00 175.26 173.25 2aw3 s PRO 193 N 0.19 1.73 0.01 0.39 0.02 -1.26 -1.79 135.00 134.29 2aw3 s PRO 193 Ca 0.15 1.65 0.22 0.00 0.02 0.00 0.00 61.00 63.05 2aw3 s PRO 193 Cb -0.21 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 2aw3 s PRO 193 CO -0.04 -2.13 0.98 -0.85 -0.33 0.00 0.00 177.00 174.64 2aw3 n GLU 194 N -3.33 0.16 -3.75 5.54 0.28 -0.83 -4.71 120.64 114.00 2aw3 n GLU 194 Ca 0.13 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.16 56.98 2aw3 n GLU 194 Cb 0.51 -1.53 -0.12 0.00 1.43 0.00 0.00 31.44 31.73 2aw3 n GLU 194 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2aw3 s PHE 195 N -3.12 -0.36 -0.14 -1.84 5.36 -1.08 -4.96 117.98 111.84 2aw3 s PHE 195 Ca 0.05 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 56.90 2aw3 s PHE 195 Cb 0.16 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 2aw3 s PHE 195 CO 0.83 -0.20 -0.20 0.99 -1.46 0.00 0.00 175.22 175.18 2aw3 s THR 196 N 0.60 1.91 -0.19 0.12 2.01 -1.26 -2.02 115.64 116.80 2aw3 s THR 196 Ca -0.04 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 2aw3 s THR 196 Cb -0.05 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 2aw3 s THR 196 CO -0.04 0.52 0.22 -0.63 -0.69 0.00 0.00 174.62 174.01 2aw3 s ILE 197 N 0.95 5.34 -0.32 1.82 1.01 -0.03 -4.75 121.20 125.23 2aw3 s ILE 197 Ca -0.05 0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 2aw3 s ILE 197 Cb -0.15 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 2aw3 s ILE 197 CO -0.04 0.39 0.67 -0.89 0.00 0.00 0.00 174.94 175.08 2aw3 s THR 198 N 0.56 4.88 -0.16 2.92 2.01 -0.31 -0.57 115.64 124.98 2aw3 s THR 198 Ca 0.12 0.86 -0.18 0.00 0.31 0.00 0.00 61.69 62.80 2aw3 s THR 198 Cb -0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2aw3 s THR 198 CO 0.02 -0.22 0.47 -0.83 -0.69 0.00 0.00 174.62 173.37 2aw3 s GLY 199 N 1.69 2.23 -0.05 4.40 0.00 0.56 -1.40 107.32 114.75 2aw3 s GLY 199 Ca 0.27 -0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.66 2aw3 s GLY 199 CO 0.13 0.87 -0.00 1.20 0.00 0.00 0.00 173.10 175.30 2aw3 s GLN 200 N 1.06 2.89 -0.28 2.90 -0.21 -0.12 -1.85 119.66 124.05 2aw3 s GLN 200 Ca 0.24 -0.50 -0.17 0.00 0.02 0.00 0.00 55.36 54.95 2aw3 s GLN 200 Cb -0.15 -2.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 2aw3 s GLN 200 CO 0.09 0.67 0.47 0.00 -2.12 0.00 0.00 175.29 174.40 2aw3 s ALA 201 N -0.96 3.56 -0.27 6.09 0.00 -1.26 -1.33 121.76 127.58 2aw3 s ALA 201 Ca 0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 2aw3 s ALA 201 Cb -0.11 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.17 2aw3 s ALA 201 CO 0.06 -0.81 -0.00 -1.58 0.00 0.00 0.00 175.76 173.42 2aw3 s TRP 202 N 2.25 3.11 -0.15 0.00 0.52 -0.52 -4.15 118.94 120.00 2aw3 s TRP 202 Ca 0.19 -1.36 -0.05 0.00 0.02 0.00 0.00 56.10 54.89 2aw3 s TRP 202 Cb -0.16 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 2aw3 s TRP 202 CO 0.10 -0.68 0.03 -0.51 0.02 0.00 0.00 176.95 175.91 2aw3 s ASP 203 N 1.39 5.40 -0.02 2.95 1.01 -0.08 -0.63 116.67 126.68 2aw3 s ASP 203 Ca 0.01 0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.36 2aw3 s ASP 203 Cb -0.17 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 2aw3 s ASP 203 CO -0.02 0.23 -0.06 -0.76 0.21 0.00 0.00 175.17 174.77 2aw3 s LEU 204 N 0.01 3.19 0.01 1.23 1.43 -0.53 -1.05 118.68 122.98 2aw3 s LEU 204 Ca 0.04 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 2aw3 s LEU 204 Cb -0.13 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 2aw3 s LEU 204 CO 0.01 0.30 0.59 -2.16 0.23 0.00 0.00 176.35 175.32 2aw3 s PRO 205 N -1.26 4.29 -0.28 1.29 0.04 -1.26 -1.11 135.00 136.71 2aw3 s PRO 205 Ca 0.16 0.73 -0.10 0.00 0.04 0.00 0.00 61.00 61.83 2aw3 s PRO 205 Cb -0.11 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2aw3 s PRO 205 CO 0.06 0.44 0.16 0.08 0.04 0.00 0.00 177.00 177.78 2aw3 s VAL 206 N -0.42 5.07 -0.28 -0.36 1.01 0.12 -4.90 120.40 120.64 2aw3 s VAL 206 Ca 0.30 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 2aw3 s VAL 206 Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2aw3 s VAL 206 CO 0.18 0.25 0.18 -0.69 0.00 0.00 0.00 175.10 175.02 2aw3 s VAL 207 N 1.72 5.15 0.74 2.92 1.01 -1.26 -1.63 120.40 129.05 2aw3 s VAL 207 Ca 0.07 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2aw3 s VAL 207 Cb -0.16 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2aw3 s VAL 207 CO 0.09 0.23 1.14 -0.83 0.00 0.00 0.00 175.10 175.73 2aw3 s GLY 208 N 1.73 2.03 -0.42 4.51 0.00 -0.28 -4.83 107.32 110.06 2aw3 s GLY 208 Ca 0.07 0.59 -0.26 0.00 0.00 0.00 0.00 44.72 45.12 2aw3 s GLY 208 CO 0.10 0.97 0.92 -0.47 0.00 0.00 0.00 173.10 174.62 2aw3 s TYR 209 N -2.41 2.99 -1.51 1.90 5.04 -1.26 -4.23 117.35 117.86 2aw3 s TYR 209 Ca 0.68 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 2aw3 s TYR 209 Cb -0.23 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.25 2aw3 s TYR 209 CO 0.48 -0.99 0.00 0.54 -1.34 0.00 0.00 175.55 174.25 2aw3 n ARG 210 N 7.00 -1.70 0.00 4.97 5.12 0.91 -4.82 116.66 128.14 2aw3 n ARG 210 Ca 0.06 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.83 2aw3 n ARG 210 Cb 0.48 -5.32 0.00 0.00 -1.16 0.00 0.00 32.46 26.46 2aw3 n ARG 210 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2aw3 n ASN 211 N -1.39 0.62 0.00 0.55 6.94 -1.26 -3.89 115.26 116.84 2aw3 n ASN 211 Ca -0.17 -0.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.43 2aw3 n ASN 211 Cb 0.59 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 2aw3 n ASN 211 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aw3 n GLY 212 N 0.04 0.40 3.77 4.83 0.00 -1.25 -3.08 105.19 109.90 2aw3 n GLY 212 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2aw3 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aw3 s VAL 213 N -1.94 4.42 -0.08 1.61 1.01 -1.26 -3.80 120.40 120.36 2aw3 s VAL 213 Ca 0.00 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.65 2aw3 s VAL 213 Cb 0.00 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2aw3 s VAL 213 CO 0.00 0.50 0.15 0.00 0.00 0.00 0.00 175.10 175.74 2aw3 s ALA 214 N -0.96 -0.11 0.11 5.51 0.00 -1.26 -1.12 121.76 123.94 2aw3 s ALA 214 Ca 0.36 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.87 2aw3 s ALA 214 Cb -0.23 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2aw3 s ALA 214 CO 0.26 -0.54 -0.08 1.14 0.00 0.00 0.00 175.76 176.54 2aw3 s GLN 215 N 2.23 0.91 0.23 0.00 -2.07 -0.64 -4.89 119.66 115.42 2aw3 s GLN 215 Ca 0.03 -1.35 -0.26 0.00 -1.82 0.00 0.00 55.36 51.96 2aw3 s GLN 215 Cb -0.12 -0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 31.33 2aw3 s GLN 215 CO -0.05 0.02 0.85 -1.25 -1.32 0.00 0.00 175.29 173.54 2aw3 s PRO 216 N -3.68 4.59 -0.45 9.60 0.04 -1.26 0.14 135.00 143.99 2aw3 s PRO 216 Ca 0.13 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 2aw3 s PRO 216 Cb 0.03 -3.10 0.04 0.00 0.04 0.00 0.00 34.50 31.51 2aw3 s PRO 216 CO -0.02 0.47 0.41 -1.17 0.04 0.00 0.00 177.00 176.72 2aw3 s LEU 217 N -1.49 5.21 -0.34 -3.56 2.96 -0.27 -1.64 118.68 119.56 2aw3 s LEU 217 Ca 0.41 -0.99 -0.16 0.00 -0.22 0.00 0.00 54.13 53.17 2aw3 s LEU 217 Cb -0.22 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 2aw3 s LEU 217 CO 0.26 -0.60 0.42 -0.60 -1.32 0.00 0.00 176.35 174.51 2aw3 s ARG 218 N 1.90 3.64 -0.31 1.98 3.52 0.34 -1.46 118.95 128.56 2aw3 s ARG 218 Ca 0.08 -0.26 -0.05 0.00 -0.13 0.00 0.00 55.73 55.37 2aw3 s ARG 218 Cb -0.20 -3.79 0.03 0.00 -1.56 0.00 0.00 34.95 29.43 2aw3 s ARG 218 CO 0.10 -0.54 0.06 -0.51 -0.81 0.00 0.00 175.30 173.60 2aw3 s LEU 219 N 2.17 4.01 0.11 -0.88 1.43 0.20 -1.30 118.68 124.41 2aw3 s LEU 219 Ca 0.15 -1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 51.89 2aw3 s LEU 219 Cb -0.16 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 2aw3 s LEU 219 CO 0.12 -0.26 1.04 0.26 0.23 0.00 0.00 176.35 177.74 2aw3 s TRP 220 N 1.38 3.67 -0.12 0.29 0.52 -0.67 -1.44 118.94 122.57 2aw3 s TRP 220 Ca -0.02 1.66 0.03 0.00 0.02 0.00 0.00 56.10 57.79 2aw3 s TRP 220 Cb -0.19 -3.18 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 2aw3 s TRP 220 CO 0.01 -0.28 -0.21 -1.14 0.02 0.00 0.00 176.95 175.35 2aw3 s GLN 221 N 0.15 3.10 0.02 4.98 0.74 -0.44 -1.35 119.66 126.86 2aw3 s GLN 221 Ca 0.50 -0.84 -0.23 0.00 0.05 0.00 0.00 55.36 54.84 2aw3 s GLN 221 Cb -0.26 -2.40 -0.05 0.00 1.10 0.00 0.00 33.01 31.40 2aw3 s GLN 221 CO 0.31 0.13 0.70 0.00 -0.55 0.00 0.00 175.29 175.88 2aw3 s ALA 222 N 0.49 3.40 0.21 1.58 0.00 -1.26 -0.95 121.76 125.23 2aw3 s ALA 222 Ca -0.14 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 2aw3 s ALA 222 Cb -0.17 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2aw3 s ALA 222 CO 0.05 0.08 0.10 0.95 0.00 0.00 0.00 175.76 176.95 2aw3 s THR 223 N -0.02 0.21 0.07 0.00 -4.23 -0.49 -4.08 115.64 107.09 2aw3 s THR 223 Ca 0.36 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2aw3 s THR 223 Cb -0.19 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 2aw3 s THR 223 CO 0.21 -0.09 -0.24 -2.28 -0.54 0.00 0.00 174.62 171.68 2aw3 s HIS 224 N -4.00 2.38 0.35 3.99 2.46 -1.26 -1.16 115.29 118.05 2aw3 s HIS 224 Ca 0.36 -0.37 0.13 0.00 0.47 0.00 0.00 55.06 55.66 2aw3 s HIS 224 Cb 0.07 -1.37 0.72 0.00 -0.13 0.00 0.00 32.58 31.88 2aw3 s HIS 224 CO 0.11 0.22 1.82 0.00 -2.47 0.00 0.00 174.74 174.41 2aw3 h ALA 225 N 4.45 1.33 -2.42 1.58 0.00 -1.94 -3.33 119.26 118.93 2aw3 h ALA 225 Ca -0.48 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 53.49 2aw3 h ALA 225 Cb 1.15 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.47 2aw3 h ALA 225 CO 0.43 0.48 -0.74 0.72 0.00 0.00 0.00 179.25 180.14 2aw3 n HIS 226 N -4.02 2.18 0.22 0.00 8.25 -1.26 -4.97 115.22 115.61 2aw3 n HIS 226 Ca -0.02 -3.98 0.09 0.00 -0.26 0.00 0.00 57.72 53.56 2aw3 n HIS 226 Cb 0.42 -0.43 0.45 0.00 1.12 0.00 0.00 29.99 31.55 2aw3 n HIS 226 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aw3 h PRO 227 N 4.66 0.00 -5.98 -0.41 0.13 -1.91 -3.41 132.00 125.08 2aw3 h PRO 227 Ca 0.17 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.61 2aw3 h PRO 227 Cb 0.76 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.58 2aw3 h PRO 227 CO 0.67 0.25 -0.88 0.12 -0.23 0.00 0.00 178.00 177.93 2aw3 s PHE 228 N -3.68 2.44 -0.35 1.56 5.36 -1.26 -2.41 117.98 119.64 2aw3 s PHE 228 Ca 0.00 -0.74 -0.04 0.00 -0.96 0.00 0.00 56.93 55.19 2aw3 s PHE 228 Cb 0.11 -1.60 0.06 0.00 -0.34 0.00 0.00 43.02 41.25 2aw3 s PHE 228 CO 0.65 -0.23 0.11 0.34 -1.46 0.00 0.00 175.22 174.63 2aw3 s ASP 229 N -0.14 5.19 0.30 6.13 -1.08 0.39 -4.98 116.67 122.47 2aw3 s ASP 229 Ca -0.04 -1.45 0.08 0.00 -0.52 0.00 0.00 52.55 50.62 2aw3 s ASP 229 Cb -0.14 -1.82 0.46 0.00 -1.46 0.00 0.00 42.92 39.97 2aw3 s ASP 229 CO 0.04 -0.38 1.69 0.25 0.52 0.00 0.00 175.17 177.29 2aw3 h LEU 230 N 8.12 0.15 0.00 -1.34 5.85 -1.99 -1.85 115.31 124.26 2aw3 h LEU 230 Ca -0.20 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2aw3 h LEU 230 Cb 1.07 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2aw3 h LEU 230 CO 0.62 0.60 -0.00 0.74 -0.34 0.00 0.00 178.44 180.06 2aw3 h THR 231 N 0.11 1.20 -0.91 1.05 2.02 -1.98 0.11 112.91 114.51 2aw3 h THR 231 Ca 0.01 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 2aw3 h THR 231 Cb 0.88 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 2aw3 h THR 231 CO 0.07 0.15 0.56 0.11 0.37 0.00 0.00 175.52 176.78 2aw3 h LYS 232 N -0.26 1.23 -0.56 6.66 1.57 -1.87 -2.25 116.57 121.10 2aw3 h LYS 232 Ca -0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2aw3 h LYS 232 Cb 0.26 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2aw3 h LYS 232 CO 0.00 0.86 0.36 0.35 -0.57 0.00 0.00 179.45 180.45 2aw3 h PHE 233 N 1.25 0.71 0.00 -1.35 3.57 -0.90 -1.08 116.94 119.14 2aw3 h PHE 233 Ca 0.33 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2aw3 h PHE 233 Cb -0.06 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2aw3 h PHE 233 CO 0.00 0.46 0.00 0.09 -2.23 0.00 0.00 178.31 176.63 2aw3 n ASN 234 N -4.69 0.43 -1.06 0.41 3.02 0.33 -0.84 115.26 112.87 2aw3 n ASN 234 Ca 0.03 0.54 0.09 0.00 -0.03 0.00 0.00 54.58 55.22 2aw3 n ASN 234 Cb 0.03 -0.66 0.25 0.00 -0.61 0.00 0.00 39.78 38.79 2aw3 n ASN 234 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2aw3 n ASP 235 N -1.91 3.07 0.00 6.41 8.00 -0.87 -4.94 116.55 126.32 2aw3 n ASP 235 Ca 0.06 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.56 2aw3 n ASP 235 Cb 0.37 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2aw3 n ASP 235 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aw3 n GLY 236 N 1.41 0.76 3.40 0.44 0.00 -0.02 -4.97 105.19 106.21 2aw3 n GLY 236 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 2aw3 n GLY 236 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aw3 s ASP 237 N -2.55 7.16 0.30 1.61 -1.08 -0.44 -4.86 116.67 116.82 2aw3 s ASP 237 Ca 0.00 -3.23 0.02 0.00 -0.52 0.00 0.00 52.55 48.82 2aw3 s ASP 237 Cb 0.00 -2.31 0.47 0.00 -1.46 0.00 0.00 42.92 39.62 2aw3 s ASP 237 CO 0.00 -0.54 1.79 -0.26 0.52 0.00 0.00 175.17 176.68 2aw3 h PHE 238 N 7.01 0.60 0.03 -5.34 0.04 -1.83 -1.18 116.94 116.27 2aw3 h PHE 238 Ca 0.24 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 2aw3 h PHE 238 Cb 0.88 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.88 2aw3 h PHE 238 CO 0.94 0.65 -0.21 1.25 -0.60 0.00 0.00 178.31 180.34 2aw3 h LEU 239 N 0.51 0.13 -2.01 1.54 5.85 -1.95 -3.28 115.31 116.10 2aw3 h LEU 239 Ca 0.10 -0.96 -0.01 0.00 0.84 0.00 0.00 57.88 57.85 2aw3 h LEU 239 Cb 0.50 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2aw3 h LEU 239 CO 0.03 1.08 -0.06 0.03 -0.34 0.00 0.00 178.44 179.18 2aw3 h ARG 240 N -0.79 0.00 -0.11 1.25 3.08 -1.95 -1.06 114.38 114.80 2aw3 h ARG 240 Ca -0.04 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2aw3 h ARG 240 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2aw3 h ARG 240 CO 0.04 0.06 0.10 0.00 -1.07 0.00 0.00 179.97 179.10 2aw3 h ALA 241 N 1.94 1.81 -0.07 0.04 0.00 -1.27 -2.82 119.26 118.89 2aw3 h ALA 241 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aw3 h ALA 241 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2aw3 h ALA 241 CO 0.01 -0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.49 2aw3 n GLU 242 N -4.03 1.89 -0.18 0.00 -0.58 -0.40 -0.47 120.64 116.87 2aw3 n GLU 242 Ca -0.00 -1.30 -0.08 0.00 -0.42 0.00 0.00 57.16 55.36 2aw3 n GLU 242 Cb 0.21 -1.46 0.02 0.00 -0.57 0.00 0.00 31.44 29.64 2aw3 n GLU 242 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2aw3 h GLN 243 N 3.03 0.76 -0.69 3.49 5.75 -1.57 -1.18 115.11 124.69 2aw3 h GLN 243 Ca 0.00 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2aw3 h GLN 243 Cb 0.65 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 2aw3 h GLN 243 CO 0.00 0.62 0.42 0.37 -2.65 0.00 0.00 178.83 177.58 2aw3 h GLN 244 N 0.71 0.94 -0.15 1.69 4.15 -1.83 0.12 115.11 120.72 2aw3 h GLN 244 Ca 0.18 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2aw3 h GLN 244 Cb 0.10 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2aw3 h GLN 244 CO -0.02 0.66 0.04 0.78 -1.93 0.00 0.00 178.83 178.36 2aw3 h GLY 245 N 0.94 0.26 1.03 2.39 0.00 -1.13 -2.75 103.07 103.81 2aw3 h GLY 245 Ca 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2aw3 h GLY 245 CO -0.05 0.15 0.34 -2.22 0.00 0.00 0.00 176.54 174.76 2aw3 h ILE 246 N 0.06 1.25 -0.24 2.60 2.04 -1.03 0.31 117.51 122.50 2aw3 h ILE 246 Ca 0.05 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.21 2aw3 h ILE 246 Cb 0.25 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2aw3 h ILE 246 CO -0.00 0.31 0.17 0.78 0.00 0.00 0.00 178.15 179.42 2aw3 h ASN 247 N 1.11 0.05 0.00 1.72 2.35 -0.63 -2.35 115.58 117.82 2aw3 h ASN 247 Ca 0.26 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2aw3 h ASN 247 Cb 0.17 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2aw3 h ASN 247 CO -0.03 0.03 -0.12 0.00 -1.65 0.00 0.00 177.43 175.66 2aw3 h ALA 248 N 1.88 0.03 0.00 -0.83 0.00 -1.10 -3.39 119.26 115.84 2aw3 h ALA 248 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2aw3 h ALA 248 Cb 0.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2aw3 h ALA 248 CO -0.01 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.24 2aw3 h GLU 249 N -1.00 0.00 0.00 0.00 5.08 -0.18 -2.75 114.58 115.74 2aw3 h GLU 249 Ca -0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2aw3 h GLU 249 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2aw3 h GLU 249 CO -0.02 0.00 -0.27 1.57 -1.00 0.00 0.00 179.01 179.29 2aw3 h LYS 250 N 0.00 0.00 -0.02 2.33 2.10 -1.62 -1.42 116.57 117.95 2aw3 h LYS 250 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2aw3 h LYS 250 Cb 0.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2aw3 h LYS 250 CO 0.00 0.27 0.02 -0.07 -2.00 0.00 0.00 179.45 177.67 2aw3 h LEU 251 N 0.00 0.00 -3.69 7.07 3.38 -1.74 -3.19 115.31 117.14 2aw3 h LEU 251 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 2aw3 h LEU 251 Cb 0.81 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.27 2aw3 h LEU 251 CO 0.04 0.00 -0.79 0.35 0.09 0.00 0.00 178.44 178.13 2aw3 n THR 252 N -3.99 1.97 -0.08 0.22 -2.24 -0.54 -4.79 114.28 104.84 2aw3 n THR 252 Ca -0.03 -3.38 -0.16 0.00 -2.27 0.00 0.00 64.05 58.21 2aw3 n THR 252 Cb 0.10 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 67.96 2aw3 n THR 252 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2aw3 h LYS 253 N 1.76 0.00 -4.59 -0.78 1.79 -1.55 0.25 116.57 113.45 2aw3 h LYS 253 Ca 0.12 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.23 2aw3 h LYS 253 Cb 1.37 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.75 2aw3 h LYS 253 CO 0.37 0.88 -0.76 0.08 -1.08 0.00 0.00 179.45 178.93 2aw3 s VAL 254 N -2.25 0.60 0.19 0.50 1.01 -1.26 -0.96 120.40 118.23 2aw3 s VAL 254 Ca -0.22 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 2aw3 s VAL 254 Cb 0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.78 2aw3 s VAL 254 CO 0.58 0.08 0.83 -0.22 0.00 0.00 0.00 175.10 176.37 2aw3 s LEU 255 N -0.42 4.61 -1.30 3.92 0.20 0.11 -4.29 118.68 121.50 2aw3 s LEU 255 Ca 0.01 1.74 -0.23 0.00 0.69 0.00 0.00 54.13 56.35 2aw3 s LEU 255 Cb -0.04 -3.40 0.03 0.00 -0.43 0.00 0.00 46.19 42.35 2aw3 s LEU 255 CO -0.00 0.18 0.51 -1.22 -0.29 0.00 0.00 176.35 175.53 2aw3 n TYR 256 N 1.61 -1.43 -1.72 5.38 4.01 -1.26 -4.52 117.16 119.23 2aw3 n TYR 256 Ca -0.04 0.28 -0.38 0.00 -0.16 0.00 0.00 57.90 57.60 2aw3 n TYR 256 Cb 0.48 -2.92 0.05 0.00 -0.31 0.00 0.00 39.34 36.64 2aw3 n TYR 256 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2aw3 n PRO 257 N -4.82 1.40 -1.69 -0.72 -0.04 -1.26 -4.80 135.00 123.07 2aw3 n PRO 257 Ca -0.18 0.53 -0.53 0.00 -0.04 0.00 0.00 63.50 63.28 2aw3 n PRO 257 Cb 0.61 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 2aw3 n PRO 257 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aw3 n ASN 258 N -1.26 2.81 -1.01 3.54 2.85 -1.26 -4.86 115.26 116.07 2aw3 n ASN 258 Ca 0.13 1.04 0.01 0.00 -0.11 0.00 0.00 54.58 55.64 2aw3 n ASN 258 Cb 0.46 -1.26 0.22 0.00 1.24 0.00 0.00 39.78 40.44 2aw3 n ASN 258 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2aw3 n ASP 259 N 5.57 2.93 0.10 1.20 5.75 -1.26 -4.32 116.55 126.52 2aw3 n ASP 259 Ca 0.24 -3.49 0.09 0.00 -0.01 0.00 0.00 54.79 51.62 2aw3 n ASP 259 Cb 0.21 -0.60 0.56 0.00 -1.03 0.00 0.00 41.12 40.27 2aw3 n ASP 259 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 2aw3 h ASN 260 N 1.19 0.19 -1.67 -1.12 -0.26 -1.94 -3.40 115.58 108.57 2aw3 h ASN 260 Ca 0.14 -0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.34 2aw3 h ASN 260 Cb 1.56 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 38.71 2aw3 h ASN 260 CO 0.32 0.13 -0.47 0.00 -1.06 0.00 0.00 177.43 176.34 2aw3 s ALA 261 N -5.23 3.71 0.13 -0.83 0.00 -1.26 -5.04 121.76 113.23 2aw3 s ALA 261 Ca -0.06 -1.94 -0.16 0.00 0.00 0.00 0.00 51.96 49.79 2aw3 s ALA 261 Cb 0.18 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2aw3 s ALA 261 CO 0.71 -0.12 1.69 0.35 0.00 0.00 0.00 175.76 178.39 2aw3 h PHE 262 N 1.34 0.57 -0.63 0.00 3.57 -1.96 -2.44 116.94 117.40 2aw3 h PHE 262 Ca -0.43 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 2aw3 h PHE 262 Cb 1.26 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 2aw3 h PHE 262 CO 0.59 0.50 0.37 0.93 -2.23 0.00 0.00 178.31 178.47 2aw3 h GLU 263 N 0.48 0.85 -0.13 1.11 4.39 -1.94 -1.30 114.58 118.03 2aw3 h GLU 263 Ca 0.13 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2aw3 h GLU 263 Cb 0.16 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2aw3 h GLU 263 CO -0.01 0.60 0.07 0.78 -1.16 0.00 0.00 179.01 179.29 2aw3 h GLY 264 N 0.90 0.20 0.81 -3.84 0.00 -1.65 -0.94 103.07 98.55 2aw3 h GLY 264 Ca 0.23 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.51 2aw3 h GLY 264 CO -0.04 0.09 0.62 0.50 0.00 0.00 0.00 176.54 177.70 2aw3 h LYS 265 N 0.10 1.13 -0.41 4.80 1.57 -0.82 -2.02 116.57 120.91 2aw3 h LYS 265 Ca 0.05 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2aw3 h LYS 265 Cb 0.09 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2aw3 h LYS 265 CO -0.01 0.74 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.23 2aw3 h LYS 266 N 1.16 0.84 -0.40 3.15 3.64 -1.17 -2.74 116.57 121.06 2aw3 h LYS 266 Ca 0.40 -0.35 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2aw3 h LYS 266 Cb 0.08 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 2aw3 h LYS 266 CO -0.15 0.99 -0.04 1.25 -2.27 0.00 0.00 179.45 179.23 2aw3 h LEU 267 N 0.66 -0.25 -0.27 5.20 5.85 -0.92 -1.77 115.31 123.81 2aw3 h LEU 267 Ca 0.10 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2aw3 h LEU 267 Cb 0.72 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2aw3 h LEU 267 CO 0.05 -0.08 0.18 0.03 -0.34 0.00 0.00 178.44 178.28 2aw3 h ARG 268 N 0.06 0.35 -0.77 1.25 3.08 -1.11 0.24 114.38 117.47 2aw3 h ARG 268 Ca 0.19 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2aw3 h ARG 268 Cb 0.29 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2aw3 h ARG 268 CO -0.36 0.23 0.36 1.25 -1.07 0.00 0.00 179.97 180.38 2aw3 h LEU 269 N 0.36 1.02 -0.51 3.04 5.85 -1.37 -1.68 115.31 122.01 2aw3 h LEU 269 Ca 0.10 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2aw3 h LEU 269 Cb -0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2aw3 h LEU 269 CO -0.02 0.88 0.25 0.24 -0.34 0.00 0.00 178.44 179.45 2aw3 h MET 270 N 1.10 0.73 -0.36 1.25 2.86 -0.82 -0.28 114.93 119.41 2aw3 h MET 270 Ca 0.26 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.85 2aw3 h MET 270 Cb 0.13 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2aw3 h MET 270 CO -0.03 0.60 0.11 1.96 1.06 0.00 0.00 176.91 180.61 2aw3 h GLN 271 N 0.68 0.24 -0.65 1.72 4.20 0.06 -0.13 115.11 121.23 2aw3 h GLN 271 Ca 0.18 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 2aw3 h GLN 271 Cb 0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2aw3 h GLN 271 CO -0.02 0.16 0.11 1.96 -0.67 0.00 0.00 178.83 180.36 2aw3 h GLN 272 N 0.25 1.07 -0.46 1.46 4.20 -1.16 -0.70 115.11 119.78 2aw3 h GLN 272 Ca 0.17 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2aw3 h GLN 272 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2aw3 h GLN 272 CO -0.19 0.99 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.90 2aw3 h TYR 273 N 0.99 1.03 -0.38 2.96 3.20 -0.70 -1.96 116.97 122.11 2aw3 h TYR 273 Ca 0.20 -0.23 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2aw3 h TYR 273 Cb 0.43 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2aw3 h TYR 273 CO 0.03 1.01 0.23 0.35 -1.64 0.00 0.00 178.16 178.14 2aw3 h PHE 274 N 0.75 0.43 -0.23 -3.82 3.57 -0.84 -0.16 116.94 116.63 2aw3 h PHE 274 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2aw3 h PHE 274 Cb 0.70 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2aw3 h PHE 274 CO 0.05 0.26 0.14 0.37 -2.23 0.00 0.00 178.31 176.89 2aw3 h GLN 275 N 0.46 0.31 -0.32 1.11 4.15 -0.98 -2.44 115.11 117.41 2aw3 h GLN 275 Ca 0.15 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 2aw3 h GLN 275 Cb -0.01 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2aw3 h GLN 275 CO -0.06 0.26 -0.24 0.00 -1.93 0.00 0.00 178.83 176.85 2aw3 h ALA 277 N 1.18 0.32 -0.43 0.00 0.00 -0.99 -0.61 119.26 118.72 2aw3 h ALA 277 Ca 0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2aw3 h ALA 277 Cb 0.71 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2aw3 h ALA 277 CO 0.05 0.78 0.14 0.00 0.00 0.00 0.00 179.25 180.23 2aw3 h SER 279 N 0.56 0.34 -0.97 0.00 0.02 -1.16 -1.49 113.55 110.84 2aw3 h SER 279 Ca 0.14 -0.45 0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2aw3 h SER 279 Cb 0.26 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2aw3 h SER 279 CO -0.00 0.71 0.63 0.58 -1.14 0.00 0.00 176.83 177.61 2aw3 h VAL 280 N -0.04 1.13 -0.05 2.27 2.07 -1.18 -1.22 116.25 119.24 2aw3 h VAL 280 Ca 0.03 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 2aw3 h VAL 280 Cb 0.60 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2aw3 h VAL 280 CO 0.03 0.22 -0.47 0.00 0.02 0.00 0.00 177.57 177.36 2aw3 h ALA 281 N 1.42 1.11 -0.07 1.67 0.00 -1.26 -2.23 119.26 119.90 2aw3 h ALA 281 Ca 0.40 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2aw3 h ALA 281 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2aw3 h ALA 281 CO -0.14 0.62 -0.77 0.22 0.00 0.00 0.00 179.25 179.18 2aw3 h ASP 282 N 0.10 0.79 0.41 0.00 3.58 -0.68 -1.08 116.42 119.54 2aw3 h ASP 282 Ca 0.00 -0.69 -0.01 0.00 0.42 0.00 0.00 57.03 56.75 2aw3 h ASP 282 Cb 0.88 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2aw3 h ASP 282 CO 0.07 1.37 -0.29 0.40 -2.88 0.00 0.00 179.24 177.90 2aw3 h ILE 283 N 0.28 0.40 -0.72 2.25 2.04 -1.18 -1.01 117.51 119.57 2aw3 h ILE 283 Ca -0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2aw3 h ILE 283 Cb 1.43 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2aw3 h ILE 283 CO 0.15 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.67 2aw3 h LEU 284 N -0.69 0.70 -0.58 1.44 3.38 -1.39 -0.14 115.31 118.04 2aw3 h LEU 284 Ca -0.04 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2aw3 h LEU 284 Cb 0.58 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2aw3 h LEU 284 CO 0.02 0.47 0.25 -0.09 0.09 0.00 0.00 178.44 179.18 2aw3 h ARG 285 N 0.84 0.45 -0.58 1.13 2.43 -1.09 0.11 114.38 117.68 2aw3 h ARG 285 Ca 0.30 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 2aw3 h ARG 285 Cb 0.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2aw3 h ARG 285 CO -0.13 0.30 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.51 2aw3 h ARG 286 N 0.47 1.05 0.28 0.20 2.43 -0.03 -1.26 114.38 117.52 2aw3 h ARG 286 Ca 0.28 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2aw3 h ARG 286 Cb 0.27 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2aw3 h ARG 286 CO -0.24 1.04 -0.14 1.25 -1.51 0.00 0.00 179.97 180.37 2aw3 h HIS 287 N 0.94 -0.35 -0.55 2.20 2.76 -0.62 -2.29 115.15 117.23 2aw3 h HIS 287 Ca 0.16 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.43 2aw3 h HIS 287 Cb 0.59 0.12 -0.09 0.00 1.55 0.00 0.00 27.41 29.57 2aw3 h HIS 287 CO 0.04 -0.13 0.02 1.25 -1.30 0.00 0.00 177.93 177.81 2aw3 h HIS 288 N -0.51 -0.00 -0.58 5.26 -0.00 -0.76 -2.55 115.15 116.00 2aw3 h HIS 288 Ca -0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2aw3 h HIS 288 Cb 0.38 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 2aw3 h HIS 288 CO -0.02 -0.12 0.31 -0.07 -0.00 0.00 0.00 177.93 178.03 2aw3 h LEU 289 N 0.14 0.72 0.00 0.26 -0.00 -1.10 -1.32 115.31 114.00 2aw3 h LEU 289 Ca 0.28 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2aw3 h LEU 289 Cb 0.43 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2aw3 h LEU 289 CO -0.45 0.59 0.00 0.00 -0.00 0.00 0.00 178.44 178.58 2aw3 n ALA 290 N -2.45 2.05 -0.38 1.53 0.00 -0.87 -4.86 120.51 115.52 2aw3 n ALA 290 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2aw3 n ALA 290 Cb 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2aw3 n ALA 290 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw3 n GLY 291 N 0.26 0.79 3.93 0.00 0.00 -0.50 -5.06 105.19 104.61 2aw3 n GLY 291 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2aw3 n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aw3 s ARG 292 N -0.62 3.54 0.23 1.61 0.52 -1.00 -5.03 118.95 118.20 2aw3 s ARG 292 Ca 0.00 -0.24 -0.13 0.00 -0.52 0.00 0.00 55.73 54.84 2aw3 s ARG 292 Cb 0.00 -2.71 -0.08 0.00 0.52 0.00 0.00 34.95 32.68 2aw3 s ARG 292 CO 0.00 0.24 0.60 0.15 0.02 0.00 0.00 175.30 176.32 2aw3 s LYS 293 N -3.81 3.93 0.18 3.54 -0.14 -1.26 -4.38 119.74 117.80 2aw3 s LYS 293 Ca 0.41 0.47 -0.11 0.00 -1.36 0.00 0.00 55.97 55.38 2aw3 s LYS 293 Cb -0.10 -2.70 0.10 0.00 -1.68 0.00 0.00 37.83 33.45 2aw3 s LYS 293 CO 0.32 0.33 1.76 1.25 -0.76 0.00 0.00 175.35 178.26 2aw3 h LEU 294 N 2.84 0.87 -1.91 3.17 5.85 -1.97 -1.88 115.31 122.28 2aw3 h LEU 294 Ca -0.48 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.10 2aw3 h LEU 294 Cb 1.18 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2aw3 h LEU 294 CO 0.67 0.78 0.00 1.12 -0.34 0.00 0.00 178.44 180.67 2aw3 h HIS 295 N 0.91 0.00 -0.54 1.25 2.07 -1.97 -2.31 115.15 114.55 2aw3 h HIS 295 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 2aw3 h HIS 295 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 2aw3 h HIS 295 CO 0.01 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.26 2aw3 n GLU 296 N -2.78 3.50 -0.28 5.12 1.02 -0.71 -4.65 120.64 121.86 2aw3 n GLU 296 Ca -0.01 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 2aw3 n GLU 296 Cb 0.15 -1.79 0.07 0.00 -0.02 0.00 0.00 31.44 29.85 2aw3 n GLU 296 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2aw3 h LEU 297 N 3.40 -0.93 -1.70 -4.62 6.46 -1.43 -0.11 115.31 116.37 2aw3 h LEU 297 Ca 0.00 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2aw3 h LEU 297 Cb 1.35 0.55 0.00 0.00 -0.73 0.00 0.00 40.66 41.83 2aw3 h LEU 297 CO 0.20 -0.28 0.00 0.00 -0.62 0.00 0.00 178.44 177.74 2aw3 h ALA 298 N 1.58 1.00 0.00 1.25 0.00 -1.83 -0.69 119.26 120.57 2aw3 h ALA 298 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2aw3 h ALA 298 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2aw3 h ALA 298 CO -0.82 0.00 -0.11 -0.25 0.00 0.00 0.00 179.25 178.07 2aw3 n ASP 299 N -2.66 0.79 0.00 0.00 8.00 -0.06 -4.29 116.55 118.32 2aw3 n ASP 299 Ca -0.01 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.99 2aw3 n ASP 299 Cb 0.15 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 2aw3 n ASP 299 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2aw3 n TYR 300 N -2.23 0.00 -4.21 1.24 4.01 -0.60 -4.54 117.16 110.83 2aw3 n TYR 300 Ca 0.05 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.62 2aw3 n TYR 300 Cb 0.43 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.31 2aw3 n TYR 300 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2aw3 s GLU 301 N -1.95 0.60 -0.01 -0.72 0.41 -0.37 -0.62 118.70 116.05 2aw3 s GLU 301 Ca 0.00 -0.19 0.05 0.00 -0.41 0.00 0.00 54.97 54.42 2aw3 s GLU 301 Cb 0.00 -0.60 -0.01 0.00 -1.78 0.00 0.00 34.13 31.74 2aw3 s GLU 301 CO 0.00 0.07 -0.16 0.54 -0.49 0.00 0.00 175.26 175.23 2aw3 s VAL 302 N 0.17 1.25 -0.23 2.63 0.11 -0.68 -4.34 120.40 119.31 2aw3 s VAL 302 Ca -0.02 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 2aw3 s VAL 302 Cb -0.06 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2aw3 s VAL 302 CO -0.00 0.32 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.37 2aw3 s ILE 303 N -0.42 2.74 -0.36 7.04 1.01 -0.14 -0.88 121.20 130.20 2aw3 s ILE 303 Ca 0.06 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 2aw3 s ILE 303 Cb -0.06 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.08 2aw3 s ILE 303 CO -0.00 0.30 0.62 -1.58 0.00 0.00 0.00 174.94 174.28 2aw3 s GLN 304 N 1.33 3.66 -0.35 2.79 2.00 -0.19 -1.55 119.66 127.35 2aw3 s GLN 304 Ca 0.02 0.02 -0.19 0.00 -2.00 0.00 0.00 55.36 53.21 2aw3 s GLN 304 Cb -0.16 -3.81 -0.00 0.00 0.80 0.00 0.00 33.01 29.84 2aw3 s GLN 304 CO -0.06 -0.73 0.54 -0.51 -0.50 0.00 0.00 175.29 174.03 2aw3 s LEU 305 N 2.67 4.32 -0.28 3.68 1.43 0.12 -1.94 118.68 128.68 2aw3 s LEU 305 Ca 0.24 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 2aw3 s LEU 305 Cb -0.15 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 2aw3 s LEU 305 CO 0.15 -0.50 0.31 0.20 0.23 0.00 0.00 176.35 176.73 2aw3 s ASN 306 N 1.76 6.17 0.43 2.29 0.01 -1.20 -0.90 114.94 123.50 2aw3 s ASN 306 Ca 0.20 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 2aw3 s ASN 306 Cb -0.15 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.33 2aw3 s ASN 306 CO 0.14 -0.15 0.00 0.47 -1.51 0.00 0.00 177.10 176.04 2aw3 n ASP 307 N 5.25 -1.98 0.01 -1.22 8.00 -0.54 -4.18 116.55 121.88 2aw3 n ASP 307 Ca -0.10 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.53 2aw3 n ASP 307 Cb 0.51 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 42.15 2aw3 n ASP 307 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2aw3 n THR 308 N -0.46 0.06 -0.30 -3.53 -2.24 -1.24 -4.22 114.28 102.36 2aw3 n THR 308 Ca 0.00 -0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 2aw3 n THR 308 Cb 0.00 -0.39 0.28 0.00 -2.10 0.00 0.00 70.33 68.12 2aw3 n THR 308 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2aw3 h HIS 309 N 0.00 0.36 -0.69 4.78 3.86 -1.88 -1.14 115.15 120.44 2aw3 h HIS 309 Ca 0.00 0.05 -0.19 0.00 -1.16 0.00 0.00 60.37 59.07 2aw3 h HIS 309 Cb 0.53 -0.02 -0.11 0.00 1.06 0.00 0.00 27.41 28.87 2aw3 h HIS 309 CO 0.00 -0.20 0.22 -0.35 0.86 0.00 0.00 177.93 178.47 2aw3 n PRO 310 N -5.22 3.77 -0.25 2.45 -0.04 -1.26 -4.63 135.00 129.82 2aw3 n PRO 310 Ca 0.21 -3.10 0.06 0.00 -0.04 0.00 0.00 63.50 60.63 2aw3 n PRO 310 Cb 0.67 -2.20 0.19 0.00 -0.04 0.00 0.00 33.50 32.12 2aw3 n PRO 310 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2aw3 h THR 311 N 2.72 0.58 -0.05 0.52 2.02 -1.46 -1.81 112.91 115.44 2aw3 h THR 311 Ca 0.23 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.30 2aw3 h THR 311 Cb 2.25 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2aw3 h THR 311 CO 0.69 0.06 0.15 -0.29 0.37 0.00 0.00 175.52 176.50 2aw3 h ILE 312 N 0.35 0.14 -1.16 3.11 6.09 -1.82 0.20 117.51 124.42 2aw3 h ILE 312 Ca 0.42 0.00 0.33 0.00 -1.37 0.00 0.00 64.86 64.24 2aw3 h ILE 312 Cb 0.68 0.86 -0.09 0.00 0.47 0.00 0.00 36.82 38.74 2aw3 h ILE 312 CO -0.46 0.00 0.77 0.00 -3.07 0.00 0.00 178.15 175.39 2aw3 h ALA 313 N 1.75 2.58 0.65 0.18 0.00 -1.65 -1.20 119.26 121.56 2aw3 h ALA 313 Ca 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2aw3 h ALA 313 Cb 0.32 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2aw3 h ALA 313 CO -0.00 -1.03 -0.31 0.82 0.00 0.00 0.00 179.25 178.73 2aw3 h ILE 314 N 0.23 0.02 0.00 0.00 2.04 -0.79 -1.26 117.51 117.74 2aw3 h ILE 314 Ca 0.65 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 2aw3 h ILE 314 Cb 1.98 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2aw3 h ILE 314 CO -0.26 0.00 -0.09 1.55 0.00 0.00 0.00 178.15 179.35 2aw3 h PRO 315 N -1.23 0.00 0.03 2.37 0.13 -1.74 -2.59 132.00 128.98 2aw3 h PRO 315 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2aw3 h PRO 315 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2aw3 h PRO 315 CO 0.15 0.09 -0.01 1.49 -0.23 0.00 0.00 178.00 179.48 2aw3 h GLU 316 N 0.00 -0.04 -0.49 0.86 4.57 -1.08 0.52 114.58 118.93 2aw3 h GLU 316 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2aw3 h GLU 316 Cb 0.17 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2aw3 h GLU 316 CO 0.01 0.01 0.32 1.25 -1.18 0.00 0.00 179.01 179.42 2aw3 h LEU 317 N -0.08 0.55 -0.28 1.64 5.85 -1.13 -1.45 115.31 120.42 2aw3 h LEU 317 Ca -0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2aw3 h LEU 317 Cb 0.07 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 2aw3 h LEU 317 CO 0.01 0.40 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.28 2aw3 h LEU 318 N 0.66 -0.52 -0.09 2.25 3.38 -1.35 -0.35 115.31 119.29 2aw3 h LEU 318 Ca 0.18 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2aw3 h LEU 318 Cb -0.07 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2aw3 h LEU 318 CO -0.04 -0.19 -0.27 -0.09 0.09 0.00 0.00 178.44 177.93 2aw3 h ARG 319 N -0.13 -0.35 -0.67 1.13 2.43 -0.50 0.15 114.38 116.45 2aw3 h ARG 319 Ca 0.15 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2aw3 h ARG 319 Cb 0.35 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2aw3 h ARG 319 CO -0.35 -0.23 0.40 0.28 -1.51 0.00 0.00 179.97 178.55 2aw3 h VAL 320 N -0.36 1.04 -0.21 0.20 2.07 -1.00 0.18 116.25 118.17 2aw3 h VAL 320 Ca 0.09 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 2aw3 h VAL 320 Cb 0.50 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2aw3 h VAL 320 CO -0.30 0.14 -0.35 -0.07 0.02 0.00 0.00 177.57 177.01 2aw3 h LEU 321 N 0.77 0.66 0.32 2.57 4.07 -0.11 -1.91 115.31 121.68 2aw3 h LEU 321 Ca 0.28 -0.53 -0.02 0.00 0.08 0.00 0.00 57.88 57.69 2aw3 h LEU 321 Cb 0.08 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2aw3 h LEU 321 CO -0.13 1.07 -0.15 0.40 -1.08 0.00 0.00 178.44 178.54 2aw3 h ILE 322 N 0.28 0.35 0.00 1.22 2.04 -0.63 -2.48 117.51 118.29 2aw3 h ILE 322 Ca 0.02 -0.78 -0.18 0.00 1.00 0.00 0.00 64.86 64.91 2aw3 h ILE 322 Cb 0.94 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2aw3 h ILE 322 CO 0.08 0.09 -0.85 0.44 0.00 0.00 0.00 178.15 177.91 2aw3 h ASP 323 N -1.02 0.07 0.00 1.72 3.32 -0.76 -2.39 116.42 117.36 2aw3 h ASP 323 Ca -0.04 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.75 2aw3 h ASP 323 Cb 0.47 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2aw3 h ASP 323 CO 0.07 0.88 -1.95 -0.62 -1.72 0.00 0.00 179.24 175.90 2aw3 n GLU 324 N -3.58 1.27 -0.18 3.56 1.02 -0.74 -4.50 120.64 117.49 2aw3 n GLU 324 Ca -0.01 -0.04 0.05 0.00 -0.02 0.00 0.00 57.16 57.13 2aw3 n GLU 324 Cb 0.80 -1.38 0.15 0.00 -0.02 0.00 0.00 31.44 30.98 2aw3 n GLU 324 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2aw3 n HIS 325 N -2.42 0.45 -3.88 -0.32 8.25 -1.09 -5.01 115.22 111.19 2aw3 n HIS 325 Ca -0.19 -0.54 -0.31 0.00 -0.26 0.00 0.00 57.72 56.42 2aw3 n HIS 325 Cb 0.84 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.89 2aw3 n HIS 325 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2aw3 n GLN 326 N 0.26 -4.20 -2.48 -0.41 3.00 -0.90 -4.94 117.38 107.71 2aw3 n GLN 326 Ca 0.11 0.50 -0.33 0.00 -0.01 0.00 0.00 57.00 57.27 2aw3 n GLN 326 Cb 0.46 -5.29 -0.04 0.00 0.00 0.00 0.00 30.24 25.37 2aw3 n GLN 326 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2aw3 s MET 327 N -6.58 3.87 0.79 -1.09 -1.94 -0.96 -5.00 119.30 108.40 2aw3 s MET 327 Ca 0.63 1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 55.64 2aw3 s MET 327 Cb -0.33 -2.12 0.07 0.00 2.01 0.00 0.00 34.83 34.46 2aw3 s MET 327 CO 0.78 -0.34 1.11 -1.54 -0.01 0.00 0.00 175.02 175.02 2aw3 s SER 328 N -2.52 4.18 0.26 3.03 1.04 -1.26 -4.50 113.70 113.94 2aw3 s SER 328 Ca 0.63 1.95 -0.02 0.00 0.48 0.00 0.00 55.95 58.99 2aw3 s SER 328 Cb -0.12 -2.54 0.52 0.00 0.10 0.00 0.00 66.02 63.98 2aw3 s SER 328 CO 0.25 -2.26 1.74 -0.25 0.98 0.00 0.00 173.24 173.70 2aw3 h TRP 329 N -1.15 0.63 -0.16 5.02 2.91 -1.99 -2.56 115.95 118.64 2aw3 h TRP 329 Ca -0.44 0.04 -0.13 0.00 1.13 0.00 0.00 58.89 59.49 2aw3 h TRP 329 Cb 1.24 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.73 2aw3 h TRP 329 CO 0.55 0.10 -0.45 -0.44 -1.03 0.00 0.00 178.44 177.17 2aw3 h ASP 330 N 0.51 0.43 0.15 2.65 3.32 -1.99 -0.74 116.42 120.76 2aw3 h ASP 330 Ca 0.45 -0.20 -0.28 0.00 0.02 0.00 0.00 57.03 57.02 2aw3 h ASP 330 Cb 0.69 -0.12 0.03 0.00 0.22 0.00 0.00 39.33 40.15 2aw3 h ASP 330 CO -0.40 0.83 -1.18 0.44 -1.72 0.00 0.00 179.24 177.20 2aw3 h ASP 331 N 0.33 0.77 -0.25 6.45 3.32 -1.89 -0.93 116.42 124.21 2aw3 h ASP 331 Ca 0.02 -0.87 0.04 0.00 0.02 0.00 0.00 57.03 56.25 2aw3 h ASP 331 Cb 0.92 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2aw3 h ASP 331 CO 0.08 1.57 -0.01 0.00 -1.72 0.00 0.00 179.24 179.16 2aw3 h ALA 332 N 0.21 0.22 -0.42 3.45 0.00 -1.42 -2.94 119.26 118.36 2aw3 h ALA 332 Ca -0.19 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2aw3 h ALA 332 Cb 1.89 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2aw3 h ALA 332 CO 0.22 -0.43 -0.10 2.35 0.00 0.00 0.00 179.25 181.30 2aw3 h TRP 333 N 0.07 0.81 -0.80 0.00 2.91 -1.07 -1.31 115.95 116.56 2aw3 h TRP 333 Ca 0.12 -0.14 0.10 0.00 1.13 0.00 0.00 58.89 60.10 2aw3 h TRP 333 Cb 0.16 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 28.55 2aw3 h TRP 333 CO -0.21 0.81 0.52 0.00 -1.03 0.00 0.00 178.44 178.53 2aw3 h ALA 334 N 1.22 1.76 0.11 2.65 0.00 -1.07 -0.68 119.26 123.26 2aw3 h ALA 334 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2aw3 h ALA 334 Cb 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2aw3 h ALA 334 CO 0.03 0.07 -0.05 0.82 0.00 0.00 0.00 179.25 180.12 2aw3 h ILE 335 N 0.73 0.71 -0.65 0.00 2.04 -1.19 -3.31 117.51 115.83 2aw3 h ILE 335 Ca 0.37 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 2aw3 h ILE 335 Cb 0.45 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2aw3 h ILE 335 CO -0.14 0.21 0.20 0.71 0.00 0.00 0.00 178.15 179.13 2aw3 h THR 336 N -0.96 1.24 0.00 -0.27 1.35 -1.07 -2.03 112.91 111.18 2aw3 h THR 336 Ca -0.02 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2aw3 h THR 336 Cb 0.46 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2aw3 h THR 336 CO 0.03 0.33 0.00 0.77 -0.25 0.00 0.00 175.52 176.39 2aw3 h SER 337 N 0.96 0.00 -0.45 5.36 4.64 -1.25 -1.69 113.55 121.13 2aw3 h SER 337 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2aw3 h SER 337 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2aw3 h SER 337 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 2aw3 n LYS 338 N -2.39 2.54 -0.05 4.77 4.76 -0.79 -2.82 118.16 124.17 2aw3 n LYS 338 Ca 0.01 -2.22 -0.06 0.00 -2.87 0.00 0.00 58.31 53.17 2aw3 n LYS 338 Cb 0.22 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 31.94 2aw3 n LYS 338 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2aw3 n THR 339 N 1.08 0.63 -3.99 -0.18 -1.04 -0.66 -4.78 114.28 105.35 2aw3 n THR 339 Ca 0.17 -0.31 -0.36 0.00 -2.04 0.00 0.00 64.05 61.51 2aw3 n THR 339 Cb 0.51 -0.84 -0.07 0.00 -1.82 0.00 0.00 70.33 68.11 2aw3 n THR 339 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2aw3 s PHE 340 N -2.22 3.48 0.08 -1.42 0.08 -1.07 -0.96 117.98 115.94 2aw3 s PHE 340 Ca -0.11 0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.45 2aw3 s PHE 340 Cb 0.03 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2aw3 s PHE 340 CO 0.31 0.63 -0.20 0.00 -0.10 0.00 0.00 175.22 175.86 2aw3 s ALA 341 N -0.87 1.70 -0.14 5.36 0.00 -0.60 -1.59 121.76 125.62 2aw3 s ALA 341 Ca 0.14 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2aw3 s ALA 341 Cb -0.12 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2aw3 s ALA 341 CO 0.03 0.34 -0.21 -0.47 0.00 0.00 0.00 175.76 175.46 2aw3 s TYR 342 N -1.07 2.62 -0.24 0.00 5.04 -0.16 0.11 117.35 123.66 2aw3 s TYR 342 Ca 0.06 -1.36 -0.09 0.00 -2.44 0.00 0.00 57.07 53.23 2aw3 s TYR 342 Cb -0.10 -1.79 -0.04 0.00 0.35 0.00 0.00 41.96 40.38 2aw3 s TYR 342 CO 0.03 -0.64 0.13 0.99 -1.34 0.00 0.00 175.55 174.72 2aw3 s THR 343 N 0.93 5.00 -0.26 4.34 2.01 -0.08 -1.77 115.64 125.81 2aw3 s THR 343 Ca -0.05 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 2aw3 s THR 343 Cb -0.15 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2aw3 s THR 343 CO -0.04 0.35 0.58 0.21 -0.69 0.00 0.00 174.62 175.03 2aw3 s ASN 344 N 1.17 6.52 0.00 3.53 3.84 -0.87 -1.47 114.94 127.67 2aw3 s ASN 344 Ca 0.06 0.64 0.19 0.00 0.21 0.00 0.00 52.86 53.96 2aw3 s ASN 344 Cb -0.14 -2.31 0.06 0.00 -0.55 0.00 0.00 41.25 38.30 2aw3 s ASN 344 CO 0.05 -0.33 1.03 1.41 -2.79 0.00 0.00 177.10 176.46 2aw3 n HIS 345 N 5.63 0.00 -3.60 0.43 8.25 -1.26 -4.30 115.22 120.37 2aw3 n HIS 345 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 2aw3 n HIS 345 Cb 0.49 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 2aw3 n HIS 345 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2aw3 s THR 346 N -1.97 0.00 -1.14 1.59 -1.32 -1.26 -4.68 115.64 106.86 2aw3 s THR 346 Ca 0.19 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.95 2aw3 s THR 346 Cb 0.16 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.40 2aw3 s THR 346 CO 0.39 0.00 1.83 0.18 -2.21 0.00 0.00 174.62 174.81 2aw3 n LEU 347 N 1.19 0.17 -4.63 9.08 4.77 -1.26 -4.85 117.00 121.46 2aw3 n LEU 347 Ca -0.11 0.30 -0.48 0.00 -0.03 0.00 0.00 56.01 55.70 2aw3 n LEU 347 Cb 0.57 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2aw3 n LEU 347 CO 0.11 0.04 0.99 0.23 -1.33 0.00 0.00 177.39 177.43 2aw3 n MET 348 N -1.40 1.63 -0.31 3.23 2.81 -1.26 -4.87 117.12 116.96 2aw3 n MET 348 Ca 0.09 0.59 0.21 0.00 -1.81 0.00 0.00 57.70 56.78 2aw3 n MET 348 Cb 0.32 -2.25 0.50 0.00 -0.71 0.00 0.00 33.22 31.08 2aw3 n MET 348 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2aw3 h PRO 349 N 4.75 0.41 -0.53 0.03 0.13 -1.93 -2.61 132.00 132.25 2aw3 h PRO 349 Ca -0.46 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.80 2aw3 h PRO 349 Cb 1.30 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2aw3 h PRO 349 CO 0.80 0.27 0.38 1.05 -0.23 0.00 0.00 178.00 180.27 2aw3 h GLU 350 N 0.42 0.00 -0.13 0.86 9.09 -1.97 0.15 114.58 122.99 2aw3 h GLU 350 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.97 2aw3 h GLU 350 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 2aw3 h GLU 350 CO -0.27 0.00 0.00 0.00 0.05 0.00 0.00 179.01 178.79 2aw3 n ALA 351 N -2.64 2.50 -3.30 1.06 0.00 -0.98 -4.48 120.51 112.67 2aw3 n ALA 351 Ca 0.10 -0.63 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 2aw3 n ALA 351 Cb 0.61 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 2aw3 n ALA 351 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aw3 n LEU 352 N 0.76 5.01 -4.77 0.00 4.77 0.54 -3.63 117.00 119.68 2aw3 n LEU 352 Ca 0.17 -5.27 -0.38 0.00 -0.03 0.00 0.00 56.01 50.50 2aw3 n LEU 352 Cb 0.46 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 2aw3 n LEU 352 CO 0.15 1.78 0.85 -1.61 -1.33 0.00 0.00 177.39 177.23 2aw3 s GLU 353 N -2.34 4.01 -0.02 3.23 2.02 -1.26 -4.90 118.70 119.45 2aw3 s GLU 353 Ca 0.33 1.85 0.04 0.00 0.02 0.00 0.00 54.97 57.21 2aw3 s GLU 353 Cb 0.05 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 2aw3 s GLU 353 CO 0.01 -0.36 -0.13 1.03 0.02 0.00 0.00 175.26 175.84 2aw3 s ARG 354 N -2.34 1.11 -0.06 1.61 0.52 -1.26 -1.88 118.95 116.65 2aw3 s ARG 354 Ca 0.58 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 2aw3 s ARG 354 Cb -0.31 -1.05 0.01 0.00 0.52 0.00 0.00 34.95 34.12 2aw3 s ARG 354 CO 0.39 0.24 -0.13 -1.58 0.02 0.00 0.00 175.30 174.24 2aw3 s TRP 355 N -0.18 1.52 0.25 -0.53 0.52 -0.83 -4.96 118.94 114.72 2aw3 s TRP 355 Ca 0.03 -0.54 -0.31 0.00 0.02 0.00 0.00 56.10 55.30 2aw3 s TRP 355 Cb -0.06 -1.09 -0.13 0.00 -1.15 0.00 0.00 33.47 31.04 2aw3 s TRP 355 CO -0.00 -0.26 1.43 -0.25 0.02 0.00 0.00 176.95 177.89 2aw3 n ASP 356 N 3.68 2.86 -0.33 2.95 8.00 -1.26 -0.54 116.55 131.91 2aw3 n ASP 356 Ca -0.22 1.14 0.08 0.00 0.71 0.00 0.00 54.79 56.50 2aw3 n ASP 356 Cb 0.52 -1.44 0.24 0.00 -0.02 0.00 0.00 41.12 40.42 2aw3 n ASP 356 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2aw3 h VAL 357 N 3.08 0.81 -0.64 2.53 2.07 -1.53 -2.23 116.25 120.33 2aw3 h VAL 357 Ca -0.45 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 66.91 2aw3 h VAL 357 Cb 1.27 -0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 2aw3 h VAL 357 CO 0.76 0.14 0.18 0.50 0.02 0.00 0.00 177.57 179.18 2aw3 h LYS 358 N 0.79 0.32 -0.30 1.57 3.64 -1.90 0.33 116.57 121.03 2aw3 h LYS 358 Ca 0.49 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.76 2aw3 h LYS 358 Cb 0.61 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2aw3 h LYS 358 CO -0.32 0.21 -0.14 1.25 -2.27 0.00 0.00 179.45 178.18 2aw3 h LEU 359 N 0.33 0.65 -0.59 5.20 5.85 -1.78 -2.13 115.31 122.83 2aw3 h LEU 359 Ca 0.34 -0.41 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 2aw3 h LEU 359 Cb 0.50 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2aw3 h LEU 359 CO -0.39 0.91 -0.26 0.58 -0.34 0.00 0.00 178.44 178.94 2aw3 h VAL 360 N 0.38 1.27 -0.50 1.05 2.07 -1.10 -2.07 116.25 117.35 2aw3 h VAL 360 Ca 0.07 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.09 2aw3 h VAL 360 Cb 0.67 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2aw3 h VAL 360 CO 0.04 0.47 -0.04 0.50 0.02 0.00 0.00 177.57 178.57 2aw3 h LYS 361 N 0.72 0.87 0.03 1.57 3.64 -0.95 0.50 116.57 122.95 2aw3 h LYS 361 Ca 0.09 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2aw3 h LYS 361 Cb 0.81 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2aw3 h LYS 361 CO 0.07 0.89 -0.02 0.78 -2.27 0.00 0.00 179.45 178.91 2aw3 h GLY 362 N 0.98 -0.04 1.62 5.01 0.00 -1.11 -3.06 103.07 106.47 2aw3 h GLY 362 Ca 0.14 0.02 -0.27 0.00 0.00 0.00 0.00 47.33 47.22 2aw3 h GLY 362 CO 0.03 -0.02 -1.20 1.41 0.00 0.00 0.00 176.54 176.77 2aw3 h LEU 363 N -0.23 0.45 -5.84 3.11 4.07 -1.31 -3.39 115.31 112.16 2aw3 h LEU 363 Ca -0.00 -0.46 -0.46 0.00 0.08 0.00 0.00 57.88 57.04 2aw3 h LEU 363 Cb 0.21 -0.14 -0.36 0.00 1.08 0.00 0.00 40.66 41.45 2aw3 h LEU 363 CO 0.01 1.34 -1.06 0.18 -1.08 0.00 0.00 178.44 177.82 2aw3 n LEU 364 N -3.57 0.16 0.07 1.67 4.77 0.16 -0.12 117.00 120.14 2aw3 n LEU 364 Ca -0.08 -4.72 0.04 0.00 -0.03 0.00 0.00 56.01 51.22 2aw3 n LEU 364 Cb 0.99 0.74 0.45 0.00 -2.33 0.00 0.00 43.42 43.27 2aw3 n LEU 364 CO 0.54 2.21 1.09 1.55 -1.33 0.00 0.00 177.39 181.44 2aw3 h PRO 365 N 3.25 0.39 -0.24 3.23 0.13 -1.62 -0.30 132.00 136.83 2aw3 h PRO 365 Ca 0.06 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.98 2aw3 h PRO 365 Cb 0.97 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2aw3 h PRO 365 CO 0.44 0.31 -0.53 -0.09 -0.23 0.00 0.00 178.00 177.89 2aw3 h ARG 366 N 0.40 0.79 -0.93 0.86 9.65 -1.91 -3.04 114.38 120.19 2aw3 h ARG 366 Ca 0.10 -0.52 0.03 0.00 -1.10 0.00 0.00 59.98 58.48 2aw3 h ARG 366 Cb 0.04 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 2aw3 h ARG 366 CO -0.01 1.15 0.61 0.45 2.80 0.00 0.00 179.97 184.97 2aw3 h HIS 367 N 0.53 1.15 -0.62 2.20 3.86 -1.54 -2.49 115.15 118.23 2aw3 h HIS 367 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2aw3 h HIS 367 Cb 1.15 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 2aw3 h HIS 367 CO 0.08 0.69 0.30 1.98 0.86 0.00 0.00 177.93 181.84 2aw3 h MET 368 N 1.21 0.90 -0.62 2.45 1.85 -1.09 0.10 114.93 119.72 2aw3 h MET 368 Ca 0.36 -0.13 0.08 0.00 -0.61 0.00 0.00 59.70 59.39 2aw3 h MET 368 Cb -0.05 -0.16 -0.06 0.00 0.43 0.00 0.00 31.60 31.76 2aw3 h MET 368 CO -0.10 0.72 0.30 1.96 -0.40 0.00 0.00 176.91 179.39 2aw3 h GLN 369 N 0.85 0.52 -0.55 0.39 4.20 -1.40 -0.94 115.11 118.17 2aw3 h GLN 369 Ca 0.21 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 2aw3 h GLN 369 Cb 0.12 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2aw3 h GLN 369 CO -0.03 0.34 -0.10 0.82 -0.67 0.00 0.00 178.83 179.20 2aw3 h ILE 370 N 0.53 1.27 -0.49 2.54 2.04 -1.02 -2.31 117.51 120.07 2aw3 h ILE 370 Ca 0.30 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2aw3 h ILE 370 Cb 0.28 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2aw3 h ILE 370 CO -0.24 0.45 0.25 0.40 0.00 0.00 0.00 178.15 179.01 2aw3 h ILE 371 N 0.92 1.18 -0.74 -0.67 2.04 -0.48 -1.61 117.51 118.16 2aw3 h ILE 371 Ca 0.14 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2aw3 h ILE 371 Cb 0.67 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2aw3 h ILE 371 CO 0.05 0.20 0.39 0.78 0.00 0.00 0.00 178.15 179.57 2aw3 h ASN 372 N 0.65 0.92 -0.19 1.72 2.35 -1.10 -0.12 115.58 119.82 2aw3 h ASN 372 Ca 0.17 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2aw3 h ASN 372 Cb 0.09 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2aw3 h ASN 372 CO -0.02 0.74 -0.05 -0.08 -1.65 0.00 0.00 177.43 176.37 2aw3 h GLU 373 N 1.03 0.37 -0.48 0.81 4.57 -1.17 0.25 114.58 119.96 2aw3 h GLU 373 Ca 0.26 -0.14 0.09 0.00 -1.18 0.00 0.00 59.36 58.39 2aw3 h GLU 373 Cb 0.04 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2aw3 h GLU 373 CO -0.04 0.62 0.06 0.82 -1.18 0.00 0.00 179.01 179.30 2aw3 h ILE 374 N 0.08 0.69 -0.38 2.32 2.04 -0.81 -1.88 117.51 119.58 2aw3 h ILE 374 Ca 0.05 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2aw3 h ILE 374 Cb 0.49 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2aw3 h ILE 374 CO 0.02 0.03 0.19 -1.13 0.00 0.00 0.00 178.15 177.26 2aw3 h ASN 375 N 0.19 0.28 0.11 1.72 -1.24 -0.25 -0.39 115.58 116.01 2aw3 h ASN 375 Ca 0.24 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2aw3 h ASN 375 Cb 0.34 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2aw3 h ASN 375 CO -0.34 0.21 -0.05 0.74 -1.29 0.00 0.00 177.43 176.69 2aw3 h THR 376 N 0.39 1.00 -0.60 -3.57 2.02 -0.74 -0.30 112.91 111.12 2aw3 h THR 376 Ca 0.16 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2aw3 h THR 376 Cb 0.07 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2aw3 h THR 376 CO -0.11 0.11 0.39 0.03 0.37 0.00 0.00 175.52 176.31 2aw3 h ARG 377 N -0.36 0.79 -0.18 6.66 3.08 -1.31 -2.84 114.38 120.22 2aw3 h ARG 377 Ca -0.02 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 2aw3 h ARG 377 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2aw3 h ARG 377 CO 0.03 0.53 -0.42 0.35 -1.07 0.00 0.00 179.97 179.39 2aw3 h PHE 378 N 0.82 0.51 -0.61 3.04 3.57 -0.62 -3.02 116.94 120.62 2aw3 h PHE 378 Ca 0.22 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.67 2aw3 h PHE 378 Cb -0.08 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 2aw3 h PHE 378 CO 0.00 0.78 0.41 -0.22 -2.23 0.00 0.00 178.31 177.05 2aw3 h LYS 379 N 0.35 0.39 0.35 1.11 3.64 -0.81 -2.24 116.57 119.37 2aw3 h LYS 379 Ca 0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2aw3 h LYS 379 Cb 0.89 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2aw3 h LYS 379 CO 0.07 0.26 -0.33 1.15 -2.27 0.00 0.00 179.45 178.34 2aw3 h THR 380 N 0.41 0.32 -0.39 1.00 2.02 -1.48 -0.70 112.91 114.09 2aw3 h THR 380 Ca 0.28 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.40 2aw3 h THR 380 Cb 0.57 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2aw3 h THR 380 CO -0.08 0.00 -0.04 0.25 0.37 0.00 0.00 175.52 176.02 2aw3 h LEU 381 N -0.70 0.61 -1.45 2.58 5.85 -1.64 -1.63 115.31 118.92 2aw3 h LEU 381 Ca -0.02 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 2aw3 h LEU 381 Cb 0.63 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2aw3 h LEU 381 CO -0.05 0.70 -0.27 0.58 -0.34 0.00 0.00 178.44 179.06 2aw3 h VAL 382 N 0.59 1.01 0.06 1.05 2.07 -1.31 -2.46 116.25 117.27 2aw3 h VAL 382 Ca 0.12 -1.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.42 2aw3 h VAL 382 Cb 0.43 1.57 0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2aw3 h VAL 382 CO 0.02 0.27 -0.88 -0.08 0.02 0.00 0.00 177.57 176.92 2aw3 h GLU 383 N 0.00 0.49 0.00 1.57 4.57 -0.63 -2.04 114.58 118.53 2aw3 h GLU 383 Ca -0.00 -0.61 -0.03 0.00 -1.18 0.00 0.00 59.36 57.54 2aw3 h GLU 383 Cb 0.55 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2aw3 h GLU 383 CO 0.04 1.24 -0.16 -0.22 -1.18 0.00 0.00 179.01 178.72 2aw3 h LYS 384 N 0.01 0.00 0.00 1.92 3.64 -1.30 -2.35 116.57 118.49 2aw3 h LYS 384 Ca -0.13 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.98 2aw3 h LYS 384 Cb 1.59 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.36 2aw3 h LYS 384 CO 0.17 0.16 -2.04 2.41 -2.27 0.00 0.00 179.45 177.89 2aw3 n THR 385 N -3.82 1.20 -3.19 1.00 -1.04 -0.93 -4.63 114.28 102.88 2aw3 n THR 385 Ca -0.02 -0.77 -0.23 0.00 -2.04 0.00 0.00 64.05 60.99 2aw3 n THR 385 Cb 0.26 -0.55 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 2aw3 n THR 385 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2aw3 n TRP 386 N -2.76 -0.20 -1.61 -1.42 8.01 -0.77 -5.09 117.44 113.60 2aw3 n TRP 386 Ca -0.22 -3.61 -0.52 0.00 -1.31 0.00 0.00 57.50 51.84 2aw3 n TRP 386 Cb 1.00 -0.36 -0.06 0.00 -2.01 0.00 0.00 31.31 29.88 2aw3 n TRP 386 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 2aw3 n PRO 387 N 1.23 1.25 -0.61 -0.99 -0.02 -0.88 -1.88 135.00 133.09 2aw3 n PRO 387 Ca 0.22 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2aw3 n PRO 387 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2aw3 n PRO 387 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw3 n GLY 388 N 2.81 0.28 3.56 -1.23 0.00 -1.26 -4.92 105.19 104.42 2aw3 n GLY 388 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2aw3 n GLY 388 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aw3 s ASP 389 N -2.27 6.23 0.38 1.61 -1.08 -0.79 -4.84 116.67 115.92 2aw3 s ASP 389 Ca 0.00 -0.88 0.21 0.00 -0.52 0.00 0.00 52.55 51.35 2aw3 s ASP 389 Cb 0.00 -2.56 0.53 0.00 -1.46 0.00 0.00 42.92 39.43 2aw3 s ASP 389 CO 0.00 -1.75 1.66 -0.33 0.52 0.00 0.00 175.17 175.26 2aw3 h GLU 390 N 10.20 0.00 -0.39 4.34 4.39 -1.91 -2.87 114.58 128.34 2aw3 h GLU 390 Ca -0.04 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2aw3 h GLU 390 Cb 1.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2aw3 h GLU 390 CO 1.34 0.30 -0.10 -0.22 -1.16 0.00 0.00 179.01 179.17 2aw3 h LYS 391 N 0.00 0.76 -0.07 2.33 1.63 -1.99 -2.21 116.57 117.02 2aw3 h LYS 391 Ca -0.00 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 2aw3 h LYS 391 Cb 1.02 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2aw3 h LYS 391 CO 0.04 0.90 -0.02 0.28 -3.45 0.00 0.00 179.45 177.20 2aw3 h VAL 392 N 0.57 1.30 -0.91 2.00 2.07 -1.96 -2.96 116.25 116.36 2aw3 h VAL 392 Ca 0.10 -0.96 0.13 0.00 0.82 0.00 0.00 66.70 66.79 2aw3 h VAL 392 Cb 0.62 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 2aw3 h VAL 392 CO 0.04 0.27 0.58 -0.25 0.02 0.00 0.00 177.57 178.23 2aw3 h TRP 393 N -0.21 0.89 0.00 1.57 2.91 -1.52 0.12 115.95 119.72 2aw3 h TRP 393 Ca 0.02 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 2aw3 h TRP 393 Cb 0.43 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 2aw3 h TRP 393 CO 0.06 0.35 -0.05 0.00 -1.03 0.00 0.00 178.44 177.76 2aw3 h ALA 394 N 1.58 1.34 0.07 2.65 0.00 -1.23 -1.64 119.26 122.03 2aw3 h ALA 394 Ca 0.45 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.94 2aw3 h ALA 394 Cb 0.63 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2aw3 h ALA 394 CO -0.21 0.07 -2.15 1.17 0.00 0.00 0.00 179.25 178.12 2aw3 n LYS 395 N -3.64 0.71 0.14 0.00 4.81 0.29 -4.47 118.16 116.00 2aw3 n LYS 395 Ca -0.02 0.21 0.12 0.00 -0.87 0.00 0.00 58.31 57.75 2aw3 n LYS 395 Cb 0.16 -1.65 0.16 0.00 0.02 0.00 0.00 35.03 33.72 2aw3 n LYS 395 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2aw3 h LEU 396 N 0.04 0.00 -9.99 3.14 3.38 -1.10 -3.48 115.31 107.30 2aw3 h LEU 396 Ca -0.47 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 56.94 2aw3 h LEU 396 Cb 2.00 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.85 2aw3 h LEU 396 CO 0.03 0.02 0.60 0.00 0.09 0.00 0.00 178.44 179.17 2aw3 s ALA 397 N -3.23 3.08 0.08 1.53 0.00 -0.62 -4.95 121.76 117.65 2aw3 s ALA 397 Ca 0.05 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 2aw3 s ALA 397 Cb 0.09 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.48 2aw3 s ALA 397 CO 0.70 -1.00 1.18 0.28 0.00 0.00 0.00 175.76 176.92 2aw3 h VAL 398 N 2.05 1.33 -3.23 0.00 2.07 -1.90 -3.44 116.25 113.13 2aw3 h VAL 398 Ca -0.50 -2.48 -0.64 0.00 0.82 0.00 0.00 66.70 63.90 2aw3 h VAL 398 Cb 1.26 2.59 -0.34 0.00 -1.52 0.00 0.00 31.29 33.28 2aw3 h VAL 398 CO 0.60 0.75 -0.86 -0.69 0.02 0.00 0.00 177.57 177.40 2aw3 s VAL 399 N -3.09 1.87 -0.28 2.57 1.01 -1.26 -0.84 120.40 120.38 2aw3 s VAL 399 Ca -0.08 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2aw3 s VAL 399 Cb 0.07 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.89 2aw3 s VAL 399 CO 0.91 0.51 0.92 -2.28 0.00 0.00 0.00 175.10 175.16 2aw3 s HIS 400 N 0.86 -0.59 -1.35 5.22 5.04 -0.69 -4.97 115.29 118.81 2aw3 s HIS 400 Ca -0.07 1.45 -0.00 0.00 -1.54 0.00 0.00 55.06 54.89 2aw3 s HIS 400 Cb -0.15 0.33 0.00 0.00 0.04 0.00 0.00 32.58 32.80 2aw3 s HIS 400 CO -0.02 -0.29 0.59 -3.47 -2.34 0.00 0.00 174.74 169.22 2aw3 n ASP 401 N 2.40 -0.83 -2.34 9.88 2.03 -1.26 -2.09 116.55 124.35 2aw3 n ASP 401 Ca -0.13 -0.89 -0.20 0.00 0.52 0.00 0.00 54.79 54.09 2aw3 n ASP 401 Cb 0.56 -3.65 -0.02 0.00 -0.72 0.00 0.00 41.12 37.29 2aw3 n ASP 401 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2aw3 n LYS 402 N -4.33 -1.73 -3.99 -0.67 5.02 -1.26 -4.98 118.16 106.23 2aw3 n LYS 402 Ca -0.30 0.98 -0.11 0.00 -2.02 0.00 0.00 58.31 56.85 2aw3 n LYS 402 Cb 0.68 -5.61 -0.12 0.00 -0.02 0.00 0.00 35.03 29.96 2aw3 n LYS 402 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2aw3 s GLN 403 N -4.93 0.30 -0.12 1.97 -0.21 -0.89 -1.36 119.66 114.42 2aw3 s GLN 403 Ca 0.00 -0.48 -0.12 0.00 0.02 0.00 0.00 55.36 54.78 2aw3 s GLN 403 Cb 0.00 -0.03 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 2aw3 s GLN 403 CO 0.00 -0.01 0.25 0.08 -2.12 0.00 0.00 175.29 173.50 2aw3 s VAL 404 N -1.04 5.32 -0.48 1.09 1.01 0.30 -1.70 120.40 124.90 2aw3 s VAL 404 Ca -0.10 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 2aw3 s VAL 404 Cb -0.07 -3.57 0.12 0.00 0.00 0.00 0.00 36.38 32.86 2aw3 s VAL 404 CO -0.00 0.50 0.34 -1.00 0.00 0.00 0.00 175.10 174.93 2aw3 s HIS 405 N -0.26 3.46 0.25 5.22 0.09 -0.02 -1.96 115.29 122.07 2aw3 s HIS 405 Ca 0.16 -2.02 -0.03 0.00 -0.00 0.00 0.00 55.06 53.18 2aw3 s HIS 405 Cb -0.13 -3.45 0.29 0.00 -0.00 0.00 0.00 32.58 29.29 2aw3 s HIS 405 CO 0.05 -0.98 1.74 0.52 -0.00 0.00 0.00 174.74 176.06 2aw3 h MET 406 N 8.30 0.83 -0.27 1.40 2.86 -1.67 -1.89 114.93 124.48 2aw3 h MET 406 Ca -0.18 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.11 2aw3 h MET 406 Cb 1.06 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2aw3 h MET 406 CO 0.82 0.84 -0.32 0.00 1.06 0.00 0.00 176.91 179.31 2aw3 h ALA 407 N 1.22 0.93 -0.45 6.32 0.00 -1.92 0.03 119.26 125.39 2aw3 h ALA 407 Ca 0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2aw3 h ALA 407 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2aw3 h ALA 407 CO 0.02 0.62 0.20 -0.91 0.00 0.00 0.00 179.25 179.18 2aw3 h ASN 408 N 0.50 0.60 -0.80 0.00 2.35 -1.81 -0.83 115.58 115.59 2aw3 h ASN 408 Ca 0.06 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2aw3 h ASN 408 Cb 0.80 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 2aw3 h ASN 408 CO 0.07 0.58 0.43 0.25 -1.65 0.00 0.00 177.43 177.10 2aw3 h LEU 409 N 0.58 1.01 -0.32 1.61 5.85 -0.65 -1.33 115.31 122.05 2aw3 h LEU 409 Ca 0.15 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2aw3 h LEU 409 Cb 0.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2aw3 h LEU 409 CO -0.02 0.82 0.19 0.00 -0.34 0.00 0.00 178.44 179.10 2aw3 h VAL 411 N 0.42 1.28 0.00 0.00 3.04 -0.80 -2.64 116.25 117.55 2aw3 h VAL 411 Ca 0.12 -1.61 -0.11 0.00 -1.01 0.00 0.00 66.70 64.08 2aw3 h VAL 411 Cb 0.02 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 2aw3 h VAL 411 CO -0.02 0.53 -0.53 0.58 -1.01 0.00 0.00 177.57 177.12 2aw3 h VAL 412 N 0.66 1.36 0.00 1.51 2.07 -1.10 -3.30 116.25 117.45 2aw3 h VAL 412 Ca 0.05 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2aw3 h VAL 412 Cb 1.01 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2aw3 h VAL 412 CO 0.10 0.51 -0.98 0.61 0.02 0.00 0.00 177.57 177.84 2aw3 n GLY 413 N 0.01 -1.15 3.05 2.17 0.00 -0.10 -4.97 105.19 104.21 2aw3 n GLY 413 Ca -0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 2aw3 n GLY 413 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw3 n GLY 414 N 1.42 2.59 0.37 -0.02 0.00 -1.00 -3.97 105.19 104.58 2aw3 n GLY 414 Ca 0.03 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.86 2aw3 n GLY 414 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2aw3 n PHE 415 N -1.65 0.00 -3.69 1.61 1.16 -0.62 -4.94 117.46 109.33 2aw3 n PHE 415 Ca 0.02 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.46 2aw3 n PHE 415 Cb 0.49 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 2aw3 n PHE 415 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2aw3 s ALA 416 N -1.46 -1.12 -0.04 1.98 0.00 -1.26 -4.74 121.76 115.12 2aw3 s ALA 416 Ca 0.12 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.88 2aw3 s ALA 416 Cb 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2aw3 s ALA 416 CO 0.28 -0.28 -0.04 0.08 0.00 0.00 0.00 175.76 175.79 2aw3 s VAL 417 N -0.97 0.50 0.05 0.00 1.01 -0.32 -0.99 120.40 119.69 2aw3 s VAL 417 Ca -0.10 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2aw3 s VAL 417 Cb -0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2aw3 s VAL 417 CO 0.05 0.20 -0.11 0.54 0.00 0.00 0.00 175.10 175.79 2aw3 s ASN 418 N 0.75 1.23 0.44 3.32 4.22 -0.73 -0.49 114.94 123.68 2aw3 s ASN 418 Ca -0.10 -0.56 0.06 0.00 -2.14 0.00 0.00 52.86 50.12 2aw3 s ASN 418 Cb -0.13 -0.01 0.07 0.00 1.28 0.00 0.00 41.25 42.47 2aw3 s ASN 418 CO 0.00 -0.13 0.59 0.61 -2.04 0.00 0.00 177.10 176.13 2aw3 n GLY 419 N 1.45 1.81 0.00 0.45 0.00 -0.68 -2.05 105.19 106.17 2aw3 n GLY 419 Ca -0.22 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.63 2aw3 n GLY 419 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aw3 n VAL 420 N -1.96 0.10 -3.88 1.61 0.24 -1.26 -2.06 118.33 111.12 2aw3 n VAL 420 Ca 0.12 -0.54 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 2aw3 n VAL 420 Cb 0.43 0.97 -0.05 0.00 -1.47 0.00 0.00 33.84 33.72 2aw3 n VAL 420 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aw3 s ALA 421 N -0.10 -0.53 0.17 2.33 0.00 -1.26 -0.75 121.76 121.61 2aw3 s ALA 421 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 2aw3 s ALA 421 Cb 0.00 0.93 0.08 0.00 0.00 0.00 0.00 23.12 24.13 2aw3 s ALA 421 CO 0.00 -0.81 1.74 0.00 0.00 0.00 0.00 175.76 176.69 2aw3 h ALA 422 N 2.26 0.77 -0.13 0.00 0.00 -1.91 -0.76 119.26 119.49 2aw3 h ALA 422 Ca -0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2aw3 h ALA 422 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2aw3 h ALA 422 CO 0.37 0.36 0.09 1.25 0.00 0.00 0.00 179.25 181.31 2aw3 h LEU 423 N 0.82 0.15 -0.82 0.00 6.46 -1.91 -2.77 115.31 117.24 2aw3 h LEU 423 Ca 0.20 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.87 2aw3 h LEU 423 Cb 0.16 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2aw3 h LEU 423 CO -0.02 0.13 0.10 -0.74 -0.62 0.00 0.00 178.44 177.28 2aw3 h HIS 424 N 0.17 1.03 0.00 1.25 2.76 -1.69 -2.25 115.15 116.42 2aw3 h HIS 424 Ca 0.05 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 2aw3 h HIS 424 Cb -0.00 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.66 2aw3 h HIS 424 CO -0.06 0.88 -0.16 0.77 -1.30 0.00 0.00 177.93 178.06 2aw3 h SER 425 N 0.93 0.00 0.07 3.26 0.02 -1.01 -0.40 113.55 116.41 2aw3 h SER 425 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2aw3 h SER 425 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2aw3 h SER 425 CO 0.01 0.16 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.04 2aw3 h ASP 426 N 0.00 -0.08 0.15 3.07 3.58 -1.35 -3.03 116.42 118.77 2aw3 h ASP 426 Ca -0.00 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 2aw3 h ASP 426 Cb 0.78 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2aw3 h ASP 426 CO 0.02 0.40 -0.14 -0.07 -2.88 0.00 0.00 179.24 176.57 2aw3 h LEU 427 N -0.58 0.00 -1.23 2.28 3.38 -0.82 -0.99 115.31 117.35 2aw3 h LEU 427 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2aw3 h LEU 427 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2aw3 h LEU 427 CO 0.02 0.14 0.30 0.58 0.09 0.00 0.00 178.44 179.57 2aw3 h VAL 428 N 0.00 1.19 0.00 1.22 2.07 -1.10 0.12 116.25 119.75 2aw3 h VAL 428 Ca -0.00 -0.52 -0.26 0.00 0.82 0.00 0.00 66.70 66.74 2aw3 h VAL 428 Cb 0.26 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2aw3 h VAL 428 CO 0.02 0.22 -1.42 0.58 0.02 0.00 0.00 177.57 176.99 2aw3 h VAL 429 N 0.84 1.16 0.05 2.57 2.07 -1.19 -0.64 116.25 121.11 2aw3 h VAL 429 Ca 0.21 -2.94 -0.36 0.00 0.82 0.00 0.00 66.70 64.43 2aw3 h VAL 429 Cb 0.07 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 2aw3 h VAL 429 CO -0.03 0.66 -2.04 0.29 0.02 0.00 0.00 177.57 176.47 2aw3 n LYS 430 N -3.15 0.66 -0.08 1.57 5.02 -0.47 -2.54 118.16 119.17 2aw3 n LYS 430 Ca -0.10 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.37 2aw3 n LYS 430 Cb 1.00 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 34.22 2aw3 n LYS 430 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2aw3 n ASP 431 N -3.76 0.68 -0.12 4.39 9.92 0.40 -4.48 116.55 123.58 2aw3 n ASP 431 Ca -0.39 0.07 -0.25 0.00 -0.53 0.00 0.00 54.79 53.69 2aw3 n ASP 431 Cb 0.93 0.40 -0.09 0.00 -0.64 0.00 0.00 41.12 41.72 2aw3 n ASP 431 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2aw3 n LEU 432 N -2.95 1.93 -2.49 0.64 7.94 -1.09 -4.74 117.00 116.24 2aw3 n LEU 432 Ca -0.32 0.37 -0.14 0.00 -1.11 0.00 0.00 56.01 54.81 2aw3 n LEU 432 Cb 1.10 -0.84 0.03 0.00 0.53 0.00 0.00 43.42 44.24 2aw3 n LEU 432 CO 0.40 0.38 0.06 0.49 -1.11 0.00 0.00 177.39 177.61 2aw3 n PHE 433 N -4.33 2.08 -0.12 1.96 3.72 -0.25 -4.91 117.46 115.61 2aw3 n PHE 433 Ca -0.44 -2.45 -0.07 0.00 -0.05 0.00 0.00 57.45 54.44 2aw3 n PHE 433 Cb 0.78 -0.27 0.01 0.00 -0.94 0.00 0.00 39.48 39.07 2aw3 n PHE 433 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aw3 h PRO 434 N 2.54 0.42 -0.58 -1.08 0.13 -1.71 0.68 132.00 132.40 2aw3 h PRO 434 Ca 0.10 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 2aw3 h PRO 434 Cb 1.28 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2aw3 h PRO 434 CO 0.54 0.28 -0.06 0.93 -0.23 0.00 0.00 178.00 179.45 2aw3 h GLU 435 N 0.43 1.06 -0.83 0.86 3.07 -1.91 -0.86 114.58 116.40 2aw3 h GLU 435 Ca 0.16 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 2aw3 h GLU 435 Cb 0.05 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 2aw3 h GLU 435 CO -0.10 1.07 0.39 1.88 -1.40 0.00 0.00 179.01 180.85 2aw3 h TYR 436 N 0.95 1.20 -0.43 4.33 0.05 -1.88 -2.39 116.97 118.81 2aw3 h TYR 436 Ca 0.16 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2aw3 h TYR 436 Cb 0.63 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2aw3 h TYR 436 CO 0.04 0.87 0.24 1.25 -1.05 0.00 0.00 178.16 179.51 2aw3 h HIS 437 N 1.19 0.59 -0.98 4.88 2.76 -0.41 -0.02 115.15 123.17 2aw3 h HIS 437 Ca 0.28 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.60 2aw3 h HIS 437 Cb 0.13 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 28.81 2aw3 h HIS 437 CO 0.02 0.45 0.61 1.96 -1.30 0.00 0.00 177.93 179.67 2aw3 h GLN 438 N 0.56 0.77 0.00 5.26 4.20 -0.86 0.40 115.11 125.45 2aw3 h GLN 438 Ca 0.15 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.57 2aw3 h GLN 438 Cb 0.06 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 27.68 2aw3 h GLN 438 CO -0.02 0.51 -0.96 -0.07 -0.67 0.00 0.00 178.83 177.62 2aw3 h LEU 439 N 0.79 0.84 -6.23 1.46 3.38 -0.93 -3.41 115.31 111.22 2aw3 h LEU 439 Ca 0.52 -0.74 -0.58 0.00 0.09 0.00 0.00 57.88 57.17 2aw3 h LEU 439 Cb 0.77 -0.26 -0.39 0.00 0.09 0.00 0.00 40.66 40.87 2aw3 h LEU 439 CO -0.30 1.48 -0.96 0.79 0.09 0.00 0.00 178.44 179.54 2aw3 n TRP 440 N -3.93 0.20 0.12 1.13 8.01 -0.07 -4.97 117.44 117.93 2aw3 n TRP 440 Ca -0.11 -3.60 0.04 0.00 -1.31 0.00 0.00 57.50 52.52 2aw3 n TRP 440 Cb 0.84 -0.19 0.46 0.00 -2.01 0.00 0.00 31.31 30.41 2aw3 n TRP 440 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2aw3 h PRO 441 N 4.67 0.26 0.00 -0.99 0.13 -1.16 -3.14 132.00 131.79 2aw3 h PRO 441 Ca 0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2aw3 h PRO 441 Cb 0.85 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2aw3 h PRO 441 CO 0.50 0.28 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 2aw3 n ASN 442 N -4.39 0.52 -0.21 1.44 3.02 -1.26 -3.30 115.26 111.08 2aw3 n ASN 442 Ca -0.00 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.26 2aw3 n ASN 442 Cb 0.17 -0.71 0.30 0.00 -0.61 0.00 0.00 39.78 38.93 2aw3 n ASN 442 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2aw3 n LYS 443 N -2.03 0.67 -3.57 3.52 2.85 -1.18 -4.87 118.16 113.55 2aw3 n LYS 443 Ca 0.04 -0.42 -0.37 0.00 -1.05 0.00 0.00 58.31 56.51 2aw3 n LYS 443 Cb 0.30 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.12 2aw3 n LYS 443 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2aw3 s PHE 444 N -2.62 3.59 0.17 5.58 0.40 -1.21 -1.17 117.98 122.73 2aw3 s PHE 444 Ca 0.21 0.76 -0.02 0.00 -0.60 0.00 0.00 56.93 57.27 2aw3 s PHE 444 Cb 0.19 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 2aw3 s PHE 444 CO 0.57 0.48 0.12 -1.01 0.70 0.00 0.00 175.22 176.08 2aw3 s HIS 445 N -0.38 0.98 -0.07 0.36 3.76 0.36 -4.96 115.29 115.34 2aw3 s HIS 445 Ca 0.20 -1.28 0.01 0.00 -0.15 0.00 0.00 55.06 53.84 2aw3 s HIS 445 Cb -0.14 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 2aw3 s HIS 445 CO 0.08 -0.61 -0.08 1.21 -0.85 0.00 0.00 174.74 174.49 2aw3 s ASN 446 N -3.10 4.53 -0.13 1.40 3.04 -1.26 -1.69 114.94 117.72 2aw3 s ASN 446 Ca 0.32 -0.07 -0.01 0.00 0.04 0.00 0.00 52.86 53.14 2aw3 s ASN 446 Cb 0.07 -1.17 0.03 0.00 -1.54 0.00 0.00 41.25 38.64 2aw3 s ASN 446 CO 0.07 0.34 -0.05 -0.69 -3.04 0.00 0.00 177.10 173.73 2aw3 s VAL 447 N -0.68 0.93 0.18 -5.21 1.01 -0.88 -4.91 120.40 110.85 2aw3 s VAL 447 Ca 0.10 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2aw3 s VAL 447 Cb -0.11 -1.05 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 2aw3 s VAL 447 CO 0.02 0.24 1.34 -0.89 0.00 0.00 0.00 175.10 175.80 2aw3 s THR 448 N 1.73 3.20 1.01 3.92 2.01 -1.26 -4.05 115.64 122.19 2aw3 s THR 448 Ca 0.03 0.95 -0.15 0.00 0.31 0.00 0.00 61.69 62.84 2aw3 s THR 448 Cb -0.14 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.82 2aw3 s THR 448 CO -0.08 0.13 0.25 0.59 -0.69 0.00 0.00 174.62 174.83 2aw3 n ASN 449 N 2.91 -2.25 -3.66 3.53 3.02 0.07 -4.54 115.26 114.34 2aw3 n ASN 449 Ca 0.07 0.18 -0.10 0.00 -0.03 0.00 0.00 54.58 54.70 2aw3 n ASN 449 Cb 0.42 -1.12 -0.04 0.00 -0.61 0.00 0.00 39.78 38.44 2aw3 n ASN 449 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2aw3 s GLY 450 N -1.94 0.66 0.10 7.41 0.00 -1.26 -4.85 107.32 107.44 2aw3 s GLY 450 Ca 0.56 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.39 2aw3 s GLY 450 CO 0.67 -0.61 -0.12 -0.26 0.00 0.00 0.00 173.10 172.79 2aw3 s ILE 451 N -3.54 1.11 -0.03 0.90 -5.25 -0.05 -4.52 121.20 109.82 2aw3 s ILE 451 Ca 0.22 -1.63 -0.25 0.00 -0.99 0.00 0.00 60.65 57.99 2aw3 s ILE 451 Cb -0.02 -1.39 -0.04 0.00 2.95 0.00 0.00 42.46 43.96 2aw3 s ILE 451 CO 0.12 -0.47 0.78 0.28 -1.79 0.00 0.00 174.94 173.86 2aw3 s THR 452 N -2.19 4.96 0.13 8.37 -1.32 -1.26 -0.87 115.64 123.46 2aw3 s THR 452 Ca 0.06 1.62 0.34 0.00 -1.21 0.00 0.00 61.69 62.51 2aw3 s THR 452 Cb -0.04 -4.12 0.39 0.00 -1.51 0.00 0.00 72.50 67.21 2aw3 s THR 452 CO 0.01 0.25 2.01 -0.65 -2.21 0.00 0.00 174.62 174.04 2aw3 h PRO 453 N 6.61 0.00 0.00 7.08 0.11 -1.94 -0.96 132.00 142.90 2aw3 h PRO 453 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2aw3 h PRO 453 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aw3 h PRO 453 CO 0.75 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.08 2aw3 n ARG 454 N -3.02 0.00 -0.13 1.05 3.00 -1.26 -1.58 116.66 114.72 2aw3 n ARG 454 Ca 0.00 0.35 -0.04 0.00 -0.01 0.00 0.00 57.85 58.15 2aw3 n ARG 454 Cb 0.27 -1.10 0.03 0.00 0.00 0.00 0.00 32.46 31.66 2aw3 n ARG 454 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2aw3 h ARG 455 N 0.00 0.13 -0.06 5.56 2.43 -1.97 -1.14 114.38 119.33 2aw3 h ARG 455 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2aw3 h ARG 455 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2aw3 h ARG 455 CO 0.00 0.08 0.00 0.91 -1.51 0.00 0.00 179.97 179.45 2aw3 n TRP 456 N -5.18 0.07 0.07 2.20 7.02 -0.37 -2.82 117.44 118.44 2aw3 n TRP 456 Ca 0.03 -0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2aw3 n TRP 456 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 2aw3 n TRP 456 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2aw3 n ILE 457 N -0.03 0.08 -0.24 -0.99 5.41 -0.96 -4.76 119.36 117.87 2aw3 n ILE 457 Ca 0.18 0.03 -0.04 0.00 1.00 0.00 0.00 62.75 63.92 2aw3 n ILE 457 Cb 0.28 -0.63 0.07 0.00 -0.71 0.00 0.00 39.64 38.65 2aw3 n ILE 457 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2aw3 h LYS 458 N 0.00 0.83 0.02 0.38 3.64 -0.75 -0.93 116.57 119.77 2aw3 h LYS 458 Ca 0.00 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 2aw3 h LYS 458 Cb 0.06 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2aw3 h LYS 458 CO 0.00 0.55 -1.10 0.37 -2.27 0.00 0.00 179.45 177.00 2aw3 h GLN 459 N 0.86 0.04 0.03 1.90 4.15 -1.32 -3.33 115.11 117.44 2aw3 h GLN 459 Ca 0.27 -0.07 -0.24 0.00 0.77 0.00 0.00 58.65 59.39 2aw3 h GLN 459 Cb -0.00 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2aw3 h GLN 459 CO -0.10 1.03 -1.16 0.00 -1.93 0.00 0.00 178.83 176.68 2aw3 n ASN 461 N -3.35 3.77 0.02 0.00 2.85 -0.35 -4.88 115.26 113.31 2aw3 n ASN 461 Ca -0.04 -3.47 0.02 0.00 -0.11 0.00 0.00 54.58 50.98 2aw3 n ASN 461 Cb 0.97 -0.64 0.38 0.00 1.24 0.00 0.00 39.78 41.73 2aw3 n ASN 461 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2aw3 h PRO 462 N 3.88 0.49 -0.44 1.20 0.13 -1.67 -1.02 132.00 134.57 2aw3 h PRO 462 Ca 0.18 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 2aw3 h PRO 462 Cb 0.64 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2aw3 h PRO 462 CO 0.82 0.42 -0.14 0.00 -0.23 0.00 0.00 178.00 178.87 2aw3 h ALA 463 N 1.65 0.93 -0.54 -0.56 0.00 -1.91 -0.99 119.26 117.85 2aw3 h ALA 463 Ca 0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2aw3 h ALA 463 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2aw3 h ALA 463 CO -0.01 0.62 -0.10 1.25 0.00 0.00 0.00 179.25 181.01 2aw3 h LEU 464 N 0.74 1.00 -0.54 0.00 5.85 -1.76 -1.08 115.31 119.53 2aw3 h LEU 464 Ca 0.12 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2aw3 h LEU 464 Cb 0.64 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2aw3 h LEU 464 CO 0.04 1.11 0.20 0.00 -0.34 0.00 0.00 178.44 179.45 2aw3 h ALA 465 N 0.98 0.70 -0.80 1.25 0.00 -0.91 -0.37 119.26 120.12 2aw3 h ALA 465 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2aw3 h ALA 465 Cb 0.66 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2aw3 h ALA 465 CO 0.05 0.33 0.44 0.00 0.00 0.00 0.00 179.25 180.07 2aw3 h ALA 466 N 1.05 1.02 -0.81 0.00 0.00 -1.09 0.13 119.26 119.57 2aw3 h ALA 466 Ca 0.18 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2aw3 h ALA 466 Cb 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2aw3 h ALA 466 CO -0.01 0.53 0.52 1.25 0.00 0.00 0.00 179.25 181.53 2aw3 h LEU 467 N 1.11 0.87 -0.61 0.00 5.85 -0.70 -1.93 115.31 119.90 2aw3 h LEU 467 Ca 0.28 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2aw3 h LEU 467 Cb 0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2aw3 h LEU 467 CO -0.05 0.60 0.30 -0.07 -0.34 0.00 0.00 178.44 178.88 2aw3 h LEU 468 N 1.02 0.79 -0.86 2.25 3.38 -0.37 -1.39 115.31 120.14 2aw3 h LEU 468 Ca 0.32 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.24 2aw3 h LEU 468 Cb -0.01 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 2aw3 h LEU 468 CO -0.11 0.69 0.52 0.44 0.09 0.00 0.00 178.44 180.08 2aw3 h ASP 469 N 0.83 0.80 0.16 -0.43 3.32 -0.43 -1.21 116.42 119.47 2aw3 h ASP 469 Ca 0.21 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.08 2aw3 h ASP 469 Cb 0.11 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2aw3 h ASP 469 CO -0.03 0.49 -0.79 0.50 -1.72 0.00 0.00 179.24 177.70 2aw3 h LYS 470 N 0.93 0.51 0.00 3.56 3.64 -1.18 -3.27 116.57 120.76 2aw3 h LYS 470 Ca 0.39 -0.44 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 2aw3 h LYS 470 Cb 0.24 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2aw3 h LYS 470 CO -0.20 1.08 -0.99 0.77 -2.27 0.00 0.00 179.45 177.84 2aw3 h SER 471 N 0.34 0.00 -3.47 4.20 0.02 -1.07 -3.46 113.55 110.10 2aw3 h SER 471 Ca -0.05 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.23 2aw3 h SER 471 Cb 1.39 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.78 2aw3 h SER 471 CO 0.14 0.39 -0.67 -0.76 -1.14 0.00 0.00 176.83 174.79 2aw3 s LEU 472 N -5.89 3.35 0.14 5.07 1.43 -0.47 -5.02 118.68 117.29 2aw3 s LEU 472 Ca 0.00 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 2aw3 s LEU 472 Cb 0.08 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2aw3 s LEU 472 CO 0.78 0.28 1.64 -0.61 0.23 0.00 0.00 176.35 178.68 2aw3 h GLN 473 N 4.45 0.71 -6.19 1.70 4.15 -1.89 -3.46 115.11 114.59 2aw3 h GLN 473 Ca -0.49 -0.17 -0.51 0.00 0.77 0.00 0.00 58.65 58.25 2aw3 h GLN 473 Cb 1.17 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.71 2aw3 h GLN 473 CO 0.55 0.71 -0.53 0.15 -1.93 0.00 0.00 178.83 177.79 2aw3 s LYS 474 N -5.31 2.71 0.18 1.69 1.02 -1.26 -5.06 119.74 113.71 2aw3 s LYS 474 Ca -0.13 -1.23 -0.32 0.00 0.02 0.00 0.00 55.97 54.31 2aw3 s LYS 474 Cb 0.11 -2.43 -0.12 0.00 -0.52 0.00 0.00 37.83 34.86 2aw3 s LYS 474 CO 0.78 0.28 1.73 -1.91 -0.92 0.00 0.00 175.35 175.32 2aw3 n GLU 475 N -1.18 2.68 -0.01 1.68 4.07 -1.26 -4.90 120.64 121.72 2aw3 n GLU 475 Ca -0.06 0.97 0.08 0.00 -0.06 0.00 0.00 57.16 58.10 2aw3 n GLU 475 Cb 0.59 -2.82 -0.13 0.00 -0.06 0.00 0.00 31.44 29.03 2aw3 n GLU 475 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 2aw3 n TRP 476 N 4.34 0.00 0.28 4.31 4.27 -1.26 -4.40 117.44 124.98 2aw3 n TRP 476 Ca 0.17 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.93 2aw3 n TRP 476 Cb 0.34 -0.36 0.78 0.00 -1.36 0.00 0.00 31.31 30.71 2aw3 n TRP 476 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2aw3 h ALA 477 N 1.50 1.15 -0.13 -1.67 0.00 -1.95 -1.73 119.26 116.43 2aw3 h ALA 477 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2aw3 h ALA 477 Cb 0.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2aw3 h ALA 477 CO 0.00 0.10 -0.12 0.27 0.00 0.00 0.00 179.25 179.50 2aw3 n ASN 478 N -3.40 2.60 -2.79 0.00 0.23 -1.26 -4.41 115.26 106.24 2aw3 n ASN 478 Ca -0.01 -3.37 -0.10 0.00 -0.53 0.00 0.00 54.58 50.56 2aw3 n ASN 478 Cb 0.24 -0.52 0.07 0.00 -2.08 0.00 0.00 39.78 37.49 2aw3 n ASN 478 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2aw3 n ASP 479 N -1.10 -2.05 0.28 0.53 2.03 -0.68 -5.02 116.55 110.54 2aw3 n ASP 479 Ca 0.21 -3.58 0.14 0.00 0.52 0.00 0.00 54.79 52.08 2aw3 n ASP 479 Cb 0.79 1.63 0.81 0.00 -0.72 0.00 0.00 41.12 43.63 2aw3 n ASP 479 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2aw3 h LEU 480 N 3.13 0.00 -2.00 -2.67 5.85 -1.78 -1.33 115.31 116.50 2aw3 h LEU 480 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2aw3 h LEU 480 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2aw3 h LEU 480 CO 0.19 0.07 0.19 0.44 -0.34 0.00 0.00 178.44 178.99 2aw3 h ASP 481 N 0.00 0.00 0.00 1.25 3.32 -1.88 -0.75 116.42 118.37 2aw3 h ASP 481 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2aw3 h ASP 481 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2aw3 h ASP 481 CO 0.01 0.00 0.04 1.56 -1.72 0.00 0.00 179.24 179.13 2aw3 h GLN 482 N 0.00 0.00 0.00 3.56 1.08 -1.58 -2.91 115.11 115.26 2aw3 h GLN 482 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2aw3 h GLN 482 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2aw3 h GLN 482 CO 0.00 0.00 0.00 -0.07 -0.95 0.00 0.00 178.83 177.81 2aw3 h LEU 483 N 0.00 0.00 -2.20 1.46 4.07 -1.37 -2.45 115.31 114.82 2aw3 h LEU 483 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2aw3 h LEU 483 Cb 0.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 2aw3 h LEU 483 CO 0.00 0.00 -0.06 -0.29 -1.08 0.00 0.00 178.44 177.01 2aw3 h ILE 484 N 0.00 0.34 0.00 1.22 6.09 -1.26 -1.97 117.51 121.93 2aw3 h ILE 484 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2aw3 h ILE 484 Cb 0.24 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.76 2aw3 h ILE 484 CO 0.00 0.05 0.00 0.59 -3.07 0.00 0.00 178.15 175.72 2aw3 n ASN 485 N -3.46 0.00 0.07 2.19 3.02 -0.92 -2.54 115.26 113.63 2aw3 n ASN 485 Ca -0.02 -0.53 0.12 0.00 -0.03 0.00 0.00 54.58 54.12 2aw3 n ASN 485 Cb 0.18 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.42 2aw3 n ASN 485 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2aw3 n LEU 486 N -1.00 0.74 -0.17 3.41 4.77 -0.74 -4.32 117.00 119.69 2aw3 n LEU 486 Ca 0.13 0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 2aw3 n LEU 486 Cb 0.06 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2aw3 n LEU 486 CO 0.10 -0.09 0.72 -0.33 -1.33 0.00 0.00 177.39 176.45 2aw3 h GLU 487 N 0.00 -0.07 -0.56 3.23 5.08 -1.68 -1.34 114.58 119.24 2aw3 h GLU 487 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2aw3 h GLU 487 Cb 0.85 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2aw3 h GLU 487 CO 0.00 -0.05 0.39 1.57 -1.00 0.00 0.00 179.01 179.93 2aw3 h LYS 488 N -0.07 0.14 0.00 2.33 2.10 -1.84 -0.79 116.57 118.43 2aw3 h LYS 488 Ca 0.25 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.86 2aw3 h LYS 488 Cb 0.45 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2aw3 h LYS 488 CO -0.57 0.09 -0.13 0.74 -2.00 0.00 0.00 179.45 177.58 2aw3 h PHE 489 N 0.14 0.00 -0.00 0.07 0.04 -1.51 -2.64 116.94 113.04 2aw3 h PHE 489 Ca 0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2aw3 h PHE 489 Cb 0.87 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 2aw3 h PHE 489 CO -0.00 0.13 0.03 0.00 -0.60 0.00 0.00 178.31 177.86 2aw3 h ALA 490 N 1.87 1.07 0.00 2.45 0.00 -1.18 -1.83 119.26 121.64 2aw3 h ALA 490 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aw3 h ALA 490 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2aw3 h ALA 490 CO 0.02 -0.03 -0.75 -0.44 0.00 0.00 0.00 179.25 178.05 2aw3 h ASP 491 N 0.00 0.00 -3.22 0.00 3.32 -1.65 -3.44 116.42 111.43 2aw3 h ASP 491 Ca 0.00 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.44 2aw3 h ASP 491 Cb 0.06 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 2aw3 h ASP 491 CO -0.00 0.02 0.57 -0.62 -1.72 0.00 0.00 179.24 177.48 2aw3 s ASP 492 N -5.34 7.01 0.13 6.45 -1.08 -0.69 -5.00 116.67 118.16 2aw3 s ASP 492 Ca 0.02 1.25 -0.18 0.00 -0.52 0.00 0.00 52.55 53.13 2aw3 s ASP 492 Cb 0.09 -2.49 -0.02 0.00 -1.46 0.00 0.00 42.92 39.04 2aw3 s ASP 492 CO 0.75 -0.52 1.76 0.00 0.52 0.00 0.00 175.17 177.68 2aw3 h ALA 493 N 7.43 0.41 -0.24 3.66 0.00 -1.89 -1.79 119.26 126.84 2aw3 h ALA 493 Ca -0.25 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2aw3 h ALA 493 Cb 1.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2aw3 h ALA 493 CO 0.89 -0.08 -0.03 -0.22 0.00 0.00 0.00 179.25 179.81 2aw3 h LYS 494 N 0.42 0.04 -0.31 0.00 3.64 -1.95 -1.59 116.57 116.82 2aw3 h LYS 494 Ca 0.12 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2aw3 h LYS 494 Cb 0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2aw3 h LYS 494 CO -0.02 0.02 0.18 0.35 -2.27 0.00 0.00 179.45 177.71 2aw3 h PHE 495 N 0.04 0.34 -0.81 1.91 3.04 -1.83 -0.54 116.94 119.08 2aw3 h PHE 495 Ca 0.12 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.14 2aw3 h PHE 495 Cb 0.16 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.51 2aw3 h PHE 495 CO -0.22 0.20 0.50 0.00 -2.02 0.00 0.00 178.31 176.77 2aw3 h ARG 496 N 0.37 0.88 -0.68 1.11 3.08 -1.18 -1.01 114.38 116.95 2aw3 h ARG 496 Ca 0.12 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2aw3 h ARG 496 Cb -0.00 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2aw3 h ARG 496 CO -0.05 0.58 0.24 0.37 -1.07 0.00 0.00 179.97 180.04 2aw3 h GLN 497 N 0.91 1.03 -0.30 0.04 4.15 -0.70 -1.47 115.11 118.76 2aw3 h GLN 497 Ca 0.36 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2aw3 h GLN 497 Cb 0.17 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2aw3 h GLN 497 CO -0.17 0.87 0.17 1.96 -1.93 0.00 0.00 178.83 179.73 2aw3 h GLN 498 N 0.97 0.41 -0.58 1.69 4.20 -0.43 -1.67 115.11 119.70 2aw3 h GLN 498 Ca 0.22 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 2aw3 h GLN 498 Cb 0.25 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2aw3 h GLN 498 CO -0.01 0.34 0.14 -0.92 -0.67 0.00 0.00 178.83 177.70 2aw3 h TYR 499 N 0.38 0.97 -0.64 2.96 5.03 -1.06 -2.17 116.97 122.44 2aw3 h TYR 499 Ca 0.11 -0.12 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 2aw3 h TYR 499 Cb 0.04 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 2aw3 h TYR 499 CO -0.04 0.83 0.09 -0.09 -1.32 0.00 0.00 178.16 177.64 2aw3 h ARG 500 N 0.83 1.07 -0.41 1.82 2.43 -1.23 -2.36 114.38 116.53 2aw3 h ARG 500 Ca 0.18 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2aw3 h ARG 500 Cb 0.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2aw3 h ARG 500 CO 0.00 0.99 -0.06 0.93 -1.51 0.00 0.00 179.97 180.32 2aw3 h GLU 501 N 0.98 0.69 0.16 0.20 5.08 -1.06 -0.31 114.58 120.32 2aw3 h GLU 501 Ca 0.19 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2aw3 h GLU 501 Cb 0.45 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2aw3 h GLU 501 CO 0.01 0.75 -0.11 0.82 -1.00 0.00 0.00 179.01 179.48 2aw3 h ILE 502 N 0.64 0.76 -0.39 3.13 2.04 -1.16 -0.53 117.51 122.00 2aw3 h ILE 502 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 2aw3 h ILE 502 Cb 0.49 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2aw3 h ILE 502 CO 0.03 0.00 -0.01 0.50 0.00 0.00 0.00 178.15 178.67 2aw3 h LYS 503 N -0.27 0.09 -0.65 2.37 1.63 -1.28 -0.50 116.57 117.96 2aw3 h LYS 503 Ca -0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2aw3 h LYS 503 Cb 0.23 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 2aw3 h LYS 503 CO 0.00 0.06 0.28 1.96 -3.45 0.00 0.00 179.45 178.31 2aw3 h GLN 504 N 0.10 0.94 -0.29 1.90 1.08 -0.93 -0.47 115.11 117.44 2aw3 h GLN 504 Ca 0.19 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 2aw3 h GLN 504 Cb 0.27 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2aw3 h GLN 504 CO -0.32 0.75 -0.25 0.00 -0.95 0.00 0.00 178.83 178.06 2aw3 h ALA 505 N 1.38 0.42 -0.91 3.87 0.00 -0.65 -1.35 119.26 122.02 2aw3 h ALA 505 Ca 0.22 -0.39 0.16 0.00 0.00 0.00 0.00 54.91 54.91 2aw3 h ALA 505 Cb 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2aw3 h ALA 505 CO -0.02 0.41 0.59 -0.91 0.00 0.00 0.00 179.25 179.31 2aw3 h ASN 506 N 0.43 0.63 -0.14 0.00 2.35 -0.78 -1.97 115.58 116.11 2aw3 h ASN 506 Ca 0.05 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 2aw3 h ASN 506 Cb 0.81 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2aw3 h ASN 506 CO 0.06 0.29 -0.29 0.11 -1.65 0.00 0.00 177.43 175.96 2aw3 h LYS 507 N 0.65 0.61 -0.25 0.81 1.57 -0.43 -1.66 116.57 117.87 2aw3 h LYS 507 Ca 0.47 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2aw3 h LYS 507 Cb 0.83 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2aw3 h LYS 507 CO -0.22 0.83 -0.08 0.28 -0.57 0.00 0.00 179.45 179.68 2aw3 h VAL 508 N 0.53 1.29 -0.90 0.50 2.07 -0.69 0.17 116.25 119.22 2aw3 h VAL 508 Ca 0.07 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.48 2aw3 h VAL 508 Cb 0.76 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2aw3 h VAL 508 CO 0.06 0.35 0.59 0.03 0.02 0.00 0.00 177.57 178.62 2aw3 h ARG 509 N 0.24 1.18 -0.18 1.57 3.08 -1.35 -2.20 114.38 116.73 2aw3 h ARG 509 Ca 0.06 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2aw3 h ARG 509 Cb 0.56 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2aw3 h ARG 509 CO 0.03 0.78 -0.04 1.25 -1.07 0.00 0.00 179.97 180.92 2aw3 h LEU 510 N 1.22 0.34 -0.93 3.04 5.85 -0.93 -2.45 115.31 121.45 2aw3 h LEU 510 Ca 0.33 -0.37 0.27 0.00 0.84 0.00 0.00 57.88 58.95 2aw3 h LEU 510 Cb -0.14 -0.09 -0.16 0.00 0.37 0.00 0.00 40.66 40.64 2aw3 h LEU 510 CO -0.07 0.63 0.22 0.00 -0.34 0.00 0.00 178.44 178.88 2aw3 h ALA 511 N 0.72 1.37 -0.29 1.25 0.00 -0.86 0.17 119.26 121.61 2aw3 h ALA 511 Ca 0.04 0.26 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2aw3 h ALA 511 Cb 0.48 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2aw3 h ALA 511 CO 0.02 -0.56 -0.27 0.93 0.00 0.00 0.00 179.25 179.37 2aw3 h GLU 512 N 0.13 0.70 -0.56 0.00 5.08 -0.95 -1.49 114.58 117.48 2aw3 h GLU 512 Ca 0.61 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2aw3 h GLU 512 Cb 1.30 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2aw3 h GLU 512 CO -0.75 0.97 0.37 0.35 -1.00 0.00 0.00 179.01 178.96 2aw3 h PHE 513 N 0.45 0.68 -0.13 4.33 3.57 -0.97 -1.77 116.94 123.09 2aw3 h PHE 513 Ca 0.05 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.42 2aw3 h PHE 513 Cb 0.83 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2aw3 h PHE 513 CO 0.07 0.42 -0.55 0.28 -2.23 0.00 0.00 178.31 176.29 2aw3 h VAL 514 N 0.72 1.34 -0.14 1.41 2.07 -0.14 -2.10 116.25 119.41 2aw3 h VAL 514 Ca 0.21 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 2aw3 h VAL 514 Cb -0.02 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2aw3 h VAL 514 CO -0.05 0.56 -0.08 0.50 0.02 0.00 0.00 177.57 178.51 2aw3 h LYS 515 N 0.31 0.31 -0.22 1.57 3.64 -0.76 -0.63 116.57 120.79 2aw3 h LYS 515 Ca 0.00 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 2aw3 h LYS 515 Cb 1.07 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2aw3 h LYS 515 CO 0.10 0.65 -0.20 -0.39 -2.27 0.00 0.00 179.45 177.34 2aw3 h VAL 516 N -0.04 1.24 0.00 2.00 -1.51 -1.27 -1.33 116.25 115.34 2aw3 h VAL 516 Ca 0.03 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 2aw3 h VAL 516 Cb 0.56 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2aw3 h VAL 516 CO 0.02 0.34 -0.47 0.54 -1.23 0.00 0.00 177.57 176.77 2aw3 n ARG 517 N -4.18 0.26 0.00 5.19 5.12 -0.80 -4.56 116.66 117.70 2aw3 n ARG 517 Ca -0.00 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2aw3 n ARG 517 Cb 0.35 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 2aw3 n ARG 517 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2aw3 n THR 518 N -2.10 0.00 0.00 0.55 -2.24 -0.26 -4.89 114.28 105.34 2aw3 n THR 518 Ca 0.04 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2aw3 n THR 518 Cb 0.43 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2aw3 n THR 518 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aw3 n GLY 519 N 0.37 2.48 3.74 3.38 0.00 -0.50 -5.03 105.19 109.63 2aw3 n GLY 519 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2aw3 n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aw3 s ILE 520 N -2.43 4.26 -0.43 -0.61 1.01 -1.26 -4.93 121.20 116.81 2aw3 s ILE 520 Ca 0.00 2.08 -0.15 0.00 0.00 0.00 0.00 60.65 62.59 2aw3 s ILE 520 Cb 0.00 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 38.19 2aw3 s ILE 520 CO 0.00 0.42 0.33 -0.70 0.00 0.00 0.00 174.94 174.99 2aw3 s GLU 521 N -0.65 2.95 -0.12 2.79 2.12 -1.26 -3.72 118.70 120.81 2aw3 s GLU 521 Ca 0.44 -1.17 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 2aw3 s GLU 521 Cb -0.25 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.09 2aw3 s GLU 521 CO 0.31 -0.86 -0.01 0.96 -0.54 0.00 0.00 175.26 175.12 2aw3 s ILE 522 N 1.65 4.22 -0.30 -3.70 -4.36 -1.26 -5.07 121.20 112.38 2aw3 s ILE 522 Ca 0.04 -0.26 -0.28 0.00 -0.26 0.00 0.00 60.65 59.89 2aw3 s ILE 522 Cb -0.21 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.70 2aw3 s ILE 522 CO 0.08 0.55 1.03 0.21 0.24 0.00 0.00 174.94 177.05 2aw3 s ASN 523 N -0.32 6.93 0.00 4.36 2.47 -1.26 -4.90 114.94 122.22 2aw3 s ASN 523 Ca 0.06 1.06 0.04 0.00 0.42 0.00 0.00 52.86 54.44 2aw3 s ASN 523 Cb -0.12 -2.52 0.22 0.00 -1.45 0.00 0.00 41.25 37.37 2aw3 s ASN 523 CO 0.02 -0.80 0.74 -0.81 -3.72 0.00 0.00 177.10 172.53 2aw3 n PRO 524 N 6.67 0.56 0.04 0.43 -0.04 -1.26 -1.81 135.00 139.58 2aw3 n PRO 524 Ca 0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2aw3 n PRO 524 Cb 0.47 -1.10 0.04 0.00 -0.04 0.00 0.00 33.50 32.87 2aw3 n PRO 524 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2aw3 n GLN 525 N -0.60 0.32 -1.68 0.54 1.13 -1.26 -4.94 117.38 110.89 2aw3 n GLN 525 Ca 0.03 0.01 -0.32 0.00 -1.94 0.00 0.00 57.00 54.78 2aw3 n GLN 525 Cb 0.01 -1.62 0.05 0.00 0.11 0.00 0.00 30.24 28.79 2aw3 n GLN 525 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aw3 s ALA 526 N -3.21 2.54 0.08 -1.58 0.00 -0.75 -4.92 121.76 113.92 2aw3 s ALA 526 Ca 0.03 0.34 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 2aw3 s ALA 526 Cb 0.14 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 2aw3 s ALA 526 CO 0.79 -1.25 1.61 0.42 0.00 0.00 0.00 175.76 177.33 2aw3 s ILE 527 N -2.65 3.03 -0.46 0.00 1.01 -0.39 -4.81 121.20 116.93 2aw3 s ILE 527 Ca 0.63 0.54 -0.17 0.00 0.00 0.00 0.00 60.65 61.65 2aw3 s ILE 527 Cb -0.17 -3.35 0.05 0.00 0.01 0.00 0.00 42.46 39.00 2aw3 s ILE 527 CO 0.46 0.01 0.45 -0.36 0.00 0.00 0.00 174.94 175.50 2aw3 s PHE 528 N 2.34 3.18 -0.34 3.97 0.40 -1.26 -0.24 117.98 126.02 2aw3 s PHE 528 Ca 0.72 -0.65 -0.09 0.00 -0.60 0.00 0.00 56.93 56.31 2aw3 s PHE 528 Cb -0.40 -3.11 0.02 0.00 0.51 0.00 0.00 43.02 40.04 2aw3 s PHE 528 CO 0.32 -0.80 0.16 0.34 0.70 0.00 0.00 175.22 175.94 2aw3 s ASP 529 N 2.30 5.55 -0.13 1.36 -1.08 0.25 -0.83 116.67 124.09 2aw3 s ASP 529 Ca 0.09 -0.86 0.01 0.00 -0.52 0.00 0.00 52.55 51.27 2aw3 s ASP 529 Cb -0.21 -1.98 0.02 0.00 -1.46 0.00 0.00 42.92 39.30 2aw3 s ASP 529 CO 0.10 -0.31 -0.15 -0.63 0.52 0.00 0.00 175.17 174.71 2aw3 s ILE 530 N 1.54 1.56 -0.27 4.11 1.01 -0.39 -0.06 121.20 128.70 2aw3 s ILE 530 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2aw3 s ILE 530 Cb -0.18 -1.45 0.05 0.00 0.01 0.00 0.00 42.46 40.89 2aw3 s ILE 530 CO 0.05 0.46 -0.07 -1.58 0.00 0.00 0.00 174.94 173.80 2aw3 s GLN 531 N 1.30 2.41 -0.09 2.79 0.74 0.06 -2.25 119.66 124.63 2aw3 s GLN 531 Ca 0.01 -1.25 -0.01 0.00 0.05 0.00 0.00 55.36 54.16 2aw3 s GLN 531 Cb -0.14 -2.98 0.03 0.00 1.10 0.00 0.00 33.01 31.02 2aw3 s GLN 531 CO -0.07 -0.55 -0.03 0.96 -0.55 0.00 0.00 175.29 175.05 2aw3 s ILE 532 N 1.19 0.62 0.00 -2.34 -4.36 -1.26 -2.03 121.20 113.02 2aw3 s ILE 532 Ca -0.06 -0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.30 2aw3 s ILE 532 Cb -0.19 -0.73 0.00 0.00 1.25 0.00 0.00 42.46 42.79 2aw3 s ILE 532 CO -0.04 0.30 0.00 2.29 0.24 0.00 0.00 174.94 177.73 2aw3 n LYS 533 N 5.07 -1.54 -1.99 0.37 2.85 -0.85 -4.96 118.16 117.10 2aw3 n LYS 533 Ca -0.09 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.81 2aw3 n LYS 533 Cb 0.50 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.92 2aw3 n LYS 533 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2aw3 s ARG 534 N -2.00 2.96 -0.37 -1.58 0.52 -1.26 -3.98 118.95 113.23 2aw3 s ARG 534 Ca 0.00 1.85 -0.29 0.00 -0.52 0.00 0.00 55.73 56.78 2aw3 s ARG 534 Cb 0.00 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2aw3 s ARG 534 CO 0.00 -1.22 1.48 -1.17 0.02 0.00 0.00 175.30 174.41 2aw3 s LEU 535 N -4.06 3.62 -0.01 2.53 1.98 -0.42 -4.85 118.68 117.46 2aw3 s LEU 535 Ca 0.78 1.00 -0.02 0.00 -2.89 0.00 0.00 54.13 53.00 2aw3 s LEU 535 Cb -0.31 -3.54 -0.00 0.00 0.66 0.00 0.00 46.19 43.00 2aw3 s LEU 535 CO 0.34 -1.43 0.04 -2.28 -1.89 0.00 0.00 176.35 171.13 2aw3 s HIS 536 N 5.57 0.02 0.24 5.38 2.46 -1.26 -4.66 115.29 123.03 2aw3 s HIS 536 Ca 0.65 -0.03 -0.09 0.00 0.47 0.00 0.00 55.06 56.06 2aw3 s HIS 536 Cb -0.16 -0.03 0.38 0.00 -0.13 0.00 0.00 32.58 32.63 2aw3 s HIS 536 CO 0.32 -0.09 1.61 1.49 -2.47 0.00 0.00 174.74 175.60 2aw3 h GLU 537 N 5.59 0.03 -0.02 2.88 4.81 -1.98 -0.84 114.58 125.05 2aw3 h GLU 537 Ca -0.27 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2aw3 h GLU 537 Cb 1.21 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2aw3 h GLU 537 CO 0.46 0.02 0.11 0.10 -0.73 0.00 0.00 179.01 178.97 2aw3 h TYR 538 N 0.03 0.00 0.00 0.92 -0.00 -1.96 -1.09 116.97 114.87 2aw3 h TYR 538 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.12 2aw3 h TYR 538 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.37 2aw3 h TYR 538 CO -0.55 0.00 -1.04 1.63 -0.00 0.00 0.00 178.16 178.21 2aw3 n LYS 539 N -3.18 0.48 -3.29 0.10 5.02 -0.33 -2.31 118.16 114.64 2aw3 n LYS 539 Ca -0.02 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.16 2aw3 n LYS 539 Cb 0.19 -1.72 0.07 0.00 -0.02 0.00 0.00 35.03 33.55 2aw3 n LYS 539 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2aw3 n ARG 540 N -2.37 -6.06 0.23 1.97 1.74 -0.41 -4.12 116.66 107.63 2aw3 n ARG 540 Ca 0.01 0.72 0.17 0.00 -0.77 0.00 0.00 57.85 57.98 2aw3 n ARG 540 Cb 0.51 -5.38 0.85 0.00 -1.02 0.00 0.00 32.46 27.41 2aw3 n ARG 540 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2aw3 h GLN 541 N -1.86 0.00 0.00 5.56 7.50 -1.84 -1.94 115.11 122.54 2aw3 h GLN 541 Ca -0.50 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 58.54 2aw3 h GLN 541 Cb 1.30 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.81 2aw3 h GLN 541 CO 0.44 0.00 -0.53 1.12 -1.50 0.00 0.00 178.83 178.36 2aw3 h HIS 542 N 0.00 0.00 -0.07 2.96 2.07 -1.92 -0.28 115.15 117.91 2aw3 h HIS 542 Ca 0.07 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.59 2aw3 h HIS 542 Cb 0.41 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.38 2aw3 h HIS 542 CO 0.00 0.53 0.03 1.25 -3.07 0.00 0.00 177.93 176.68 2aw3 h LEU 543 N 0.00 0.09 -0.25 6.12 5.85 -1.73 -1.46 115.31 123.93 2aw3 h LEU 543 Ca -0.01 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2aw3 h LEU 543 Cb 0.96 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2aw3 h LEU 543 CO 0.07 0.20 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.14 2aw3 h ASN 544 N -0.02 -0.35 -0.64 1.25 -0.00 -1.42 -1.06 115.58 113.35 2aw3 h ASN 544 Ca 0.02 0.09 0.10 0.00 -0.00 0.00 0.00 56.30 56.52 2aw3 h ASN 544 Cb 0.13 0.20 -0.08 0.00 -0.00 0.00 0.00 38.32 38.58 2aw3 h ASN 544 CO -0.00 -0.13 0.25 0.25 -0.00 0.00 0.00 177.43 177.79 2aw3 h LEU 545 N -0.06 0.25 -0.48 0.34 5.85 -0.79 -0.88 115.31 119.53 2aw3 h LEU 545 Ca 0.13 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2aw3 h LEU 545 Cb 0.25 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2aw3 h LEU 545 CO -0.29 0.14 0.27 -0.07 -0.34 0.00 0.00 178.44 178.14 2aw3 h LEU 546 N 0.43 0.60 -0.84 2.25 3.38 -0.76 -0.46 115.31 119.91 2aw3 h LEU 546 Ca 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2aw3 h LEU 546 Cb 0.41 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2aw3 h LEU 546 CO -0.32 0.52 0.44 -0.74 0.09 0.00 0.00 178.44 178.43 2aw3 h HIS 547 N 0.64 1.17 -0.54 1.13 2.76 -0.52 -0.43 115.15 119.35 2aw3 h HIS 547 Ca 0.17 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 2aw3 h HIS 547 Cb 0.05 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.61 2aw3 h HIS 547 CO -0.02 0.83 0.21 0.82 -1.30 0.00 0.00 177.93 178.47 2aw3 h ILE 548 N 1.18 1.20 -0.45 6.26 2.04 -0.22 -1.32 117.51 126.20 2aw3 h ILE 548 Ca 0.29 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2aw3 h ILE 548 Cb 0.06 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2aw3 h ILE 548 CO -0.04 0.25 0.03 -0.07 0.00 0.00 0.00 178.15 178.32 2aw3 h LEU 549 N 0.78 0.74 -0.15 1.44 3.38 -0.47 -0.76 115.31 120.27 2aw3 h LEU 549 Ca 0.19 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2aw3 h LEU 549 Cb 0.16 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2aw3 h LEU 549 CO -0.02 0.84 -0.28 0.00 0.09 0.00 0.00 178.44 179.08 2aw3 h ALA 550 N 0.92 -0.27 -0.86 1.53 0.00 -0.50 0.84 119.26 120.92 2aw3 h ALA 550 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2aw3 h ALA 550 Cb 0.44 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2aw3 h ALA 550 CO 0.02 -0.74 0.52 -0.07 0.00 0.00 0.00 179.25 178.97 2aw3 h LEU 551 N -0.34 1.04 0.00 0.00 3.38 -1.14 0.47 115.31 118.72 2aw3 h LEU 551 Ca 0.11 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2aw3 h LEU 551 Cb 0.50 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2aw3 h LEU 551 CO -0.34 0.81 -0.26 0.22 0.09 0.00 0.00 178.44 178.95 2aw3 h TYR 552 N 1.19 -0.70 -0.43 1.13 3.20 -0.76 -1.77 116.97 118.82 2aw3 h TYR 552 Ca 0.31 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.25 2aw3 h TYR 552 Cb -0.04 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2aw3 h TYR 552 CO -0.00 -0.35 0.16 -0.22 -1.64 0.00 0.00 178.16 176.11 2aw3 h LYS 553 N -0.40 0.33 -0.25 1.82 3.64 -0.40 -2.01 116.57 119.29 2aw3 h LYS 553 Ca 0.06 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2aw3 h LYS 553 Cb 0.48 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 2aw3 h LYS 553 CO -0.23 0.22 -0.13 1.49 -2.27 0.00 0.00 179.45 178.53 2aw3 h GLU 554 N 0.34 -0.09 0.00 1.90 4.81 -0.70 -1.62 114.58 119.21 2aw3 h GLU 554 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2aw3 h GLU 554 Cb 0.18 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2aw3 h GLU 554 CO -0.20 -0.06 0.00 -0.84 -0.73 0.00 0.00 179.01 177.18 2aw3 h ILE 555 N -0.10 0.00 -0.04 2.32 3.07 -1.05 -2.62 117.51 119.09 2aw3 h ILE 555 Ca 0.13 -0.51 -0.25 0.00 1.55 0.00 0.00 64.86 65.78 2aw3 h ILE 555 Cb 0.30 1.46 0.01 0.00 -0.27 0.00 0.00 36.82 38.32 2aw3 h ILE 555 CO -0.31 0.00 -0.95 -0.09 -1.05 0.00 0.00 178.15 175.75 2aw3 h ARG 556 N 0.00 0.68 -0.02 0.16 2.43 -0.84 -3.39 114.38 113.40 2aw3 h ARG 556 Ca 0.00 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 2aw3 h ARG 556 Cb 0.70 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2aw3 h ARG 556 CO 0.00 1.26 -0.04 0.39 -1.51 0.00 0.00 179.97 180.08 2aw3 n GLU 557 N -3.86 1.36 -3.36 0.20 1.02 -0.66 -4.81 120.64 110.54 2aw3 n GLU 557 Ca -0.09 -1.42 -0.14 0.00 -0.02 0.00 0.00 57.16 55.49 2aw3 n GLU 557 Cb 0.83 -1.31 -0.08 0.00 -0.02 0.00 0.00 31.44 30.86 2aw3 n GLU 557 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2aw3 s ASN 558 N -1.45 1.10 0.31 1.62 2.47 -1.02 -5.02 114.94 112.95 2aw3 s ASN 558 Ca 0.19 -0.81 0.26 0.00 0.42 0.00 0.00 52.86 52.92 2aw3 s ASN 558 Cb 0.14 0.74 0.95 0.00 -1.45 0.00 0.00 41.25 41.63 2aw3 s ASN 558 CO 0.23 -0.35 1.77 1.55 -3.72 0.00 0.00 177.10 176.58 2aw3 h PRO 559 N 7.96 0.00 -0.04 0.43 0.13 -1.86 -1.00 132.00 137.63 2aw3 h PRO 559 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2aw3 h PRO 559 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2aw3 h PRO 559 CO 0.28 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.09 2aw3 n GLN 560 N -2.45 1.16 -1.62 0.86 3.00 -1.26 -4.89 117.38 112.18 2aw3 n GLN 560 Ca 0.03 -0.25 -0.59 0.00 -0.01 0.00 0.00 57.00 56.18 2aw3 n GLN 560 Cb 0.32 -1.31 -0.08 0.00 0.00 0.00 0.00 30.24 29.17 2aw3 n GLN 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2aw3 n ALA 561 N -0.54 -1.91 -3.51 -1.58 0.00 -0.38 -4.89 120.51 107.71 2aw3 n ALA 561 Ca 0.14 0.52 -0.28 0.00 0.00 0.00 0.00 53.44 53.82 2aw3 n ALA 561 Cb 0.12 -1.95 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 2aw3 n ALA 561 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2aw3 n ASP 562 N 3.00 3.76 -4.60 0.00 4.64 -1.26 -5.05 116.55 117.03 2aw3 n ASP 562 Ca 0.23 -3.39 -0.30 0.00 -1.38 0.00 0.00 54.79 49.95 2aw3 n ASP 562 Cb 0.08 -0.73 -0.10 0.00 -1.04 0.00 0.00 41.12 39.34 2aw3 n ASP 562 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 2aw3 s ARG 563 N -2.27 2.33 0.29 -0.67 1.81 -1.26 -5.11 118.95 114.08 2aw3 s ARG 563 Ca 0.36 -0.91 -0.28 0.00 -1.72 0.00 0.00 55.73 53.19 2aw3 s ARG 563 Cb 0.10 -2.41 -0.09 0.00 -0.45 0.00 0.00 34.95 32.10 2aw3 s ARG 563 CO -0.04 0.54 0.99 0.14 -0.68 0.00 0.00 175.30 176.25 2aw3 s VAL 564 N -1.18 3.92 0.53 3.52 -7.23 -1.26 -5.01 120.40 113.69 2aw3 s VAL 564 Ca 0.21 1.77 -0.22 0.00 -1.81 0.00 0.00 61.98 61.93 2aw3 s VAL 564 Cb -0.11 -4.06 -0.05 0.00 0.56 0.00 0.00 36.38 32.71 2aw3 s VAL 564 CO 0.13 0.30 1.36 -2.65 -0.31 0.00 0.00 175.10 173.93 2aw3 n PRO 565 N 0.95 1.75 -3.85 4.82 -0.02 -1.26 -4.90 135.00 132.49 2aw3 n PRO 565 Ca 0.00 0.64 -0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2aw3 n PRO 565 Cb 0.48 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.25 2aw3 n PRO 565 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aw3 s ARG 566 N -2.82 0.10 -0.22 -0.52 0.52 -0.73 -1.27 118.95 114.02 2aw3 s ARG 566 Ca 0.70 0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.97 2aw3 s ARG 566 Cb -0.42 0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.10 2aw3 s ARG 566 CO 0.50 -0.01 -0.09 0.08 0.02 0.00 0.00 175.30 175.80 2aw3 s VAL 567 N -0.03 2.87 -0.25 3.52 1.01 0.67 -1.68 120.40 126.52 2aw3 s VAL 567 Ca -0.01 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2aw3 s VAL 567 Cb -0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2aw3 s VAL 567 CO 0.00 0.39 0.32 -0.36 0.00 0.00 0.00 175.10 175.46 2aw3 s PHE 568 N 1.38 3.28 -0.11 5.22 0.40 0.12 -0.58 117.98 127.70 2aw3 s PHE 568 Ca 0.04 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 2aw3 s PHE 568 Cb -0.15 -2.49 -0.01 0.00 0.51 0.00 0.00 43.02 40.88 2aw3 s PHE 568 CO -0.06 -0.13 -0.17 -0.51 0.70 0.00 0.00 175.22 175.05 2aw3 s LEU 569 N 1.72 2.49 0.02 -0.37 1.43 0.91 -1.11 118.68 123.76 2aw3 s LEU 569 Ca 0.14 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2aw3 s LEU 569 Cb -0.15 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2aw3 s LEU 569 CO 0.09 0.18 -0.19 -0.36 0.23 0.00 0.00 176.35 176.30 2aw3 s PHE 570 N 0.25 2.55 -0.03 0.29 0.40 -0.41 -0.76 117.98 120.27 2aw3 s PHE 570 Ca -0.12 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2aw3 s PHE 570 Cb -0.16 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 41.89 2aw3 s PHE 570 CO 0.06 0.21 -0.04 0.20 0.70 0.00 0.00 175.22 176.35 2aw3 s GLY 571 N -1.22 0.35 -0.30 4.36 0.00 -0.86 -2.07 107.32 107.58 2aw3 s GLY 571 Ca 0.13 -0.08 -0.24 0.00 0.00 0.00 0.00 44.72 44.53 2aw3 s GLY 571 CO 0.04 0.21 1.41 0.00 0.00 0.00 0.00 173.10 174.76 2aw3 s ALA 572 N 0.52 -2.28 0.02 3.20 0.00 -1.26 -2.01 121.76 119.96 2aw3 s ALA 572 Ca -0.06 1.72 0.06 0.00 0.00 0.00 0.00 51.96 53.67 2aw3 s ALA 572 Cb -0.10 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2aw3 s ALA 572 CO -0.00 -0.13 -0.15 0.15 0.00 0.00 0.00 175.76 175.63 2aw3 s LYS 573 N 0.16 2.25 -0.17 0.00 1.02 -1.26 -4.78 119.74 116.95 2aw3 s LYS 573 Ca 0.05 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.12 2aw3 s LYS 573 Cb -0.05 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2aw3 s LYS 573 CO -0.15 0.57 -0.03 0.00 -0.92 0.00 0.00 175.35 174.82 2aw3 s ALA 574 N -0.92 3.00 0.32 5.17 0.00 -1.26 -1.31 121.76 126.76 2aw3 s ALA 574 Ca 0.15 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 2aw3 s ALA 574 Cb -0.11 -1.61 -0.13 0.00 0.00 0.00 0.00 23.12 21.27 2aw3 s ALA 574 CO 0.05 0.10 0.93 0.00 0.00 0.00 0.00 175.76 176.85 2aw3 n ALA 575 N 3.75 -0.44 0.24 0.00 0.00 -1.26 -4.82 120.51 117.98 2aw3 n ALA 575 Ca -0.17 0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.69 2aw3 n ALA 575 Cb 0.52 -1.98 0.59 0.00 0.00 0.00 0.00 19.45 18.58 2aw3 n ALA 575 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2aw3 h PRO 576 N 1.74 0.00 -0.02 0.00 0.13 -1.97 -0.88 132.00 131.00 2aw3 h PRO 576 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2aw3 h PRO 576 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2aw3 h PRO 576 CO 0.59 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 2aw3 n GLY 577 N -1.08 -0.61 3.28 1.56 0.00 -1.26 -4.65 105.19 102.44 2aw3 n GLY 577 Ca -0.02 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2aw3 n GLY 577 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2aw3 n TYR 578 N -0.52 4.99 -0.17 1.61 4.19 -0.34 -4.91 117.16 122.01 2aw3 n TYR 578 Ca 0.20 -3.90 0.07 0.00 3.31 0.00 0.00 57.90 57.58 2aw3 n TYR 578 Cb 0.19 -1.59 0.36 0.00 0.49 0.00 0.00 39.34 38.79 2aw3 n TYR 578 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2aw3 h TYR 579 N 6.47 0.74 0.01 2.98 0.05 -1.83 -2.30 116.97 123.09 2aw3 h TYR 579 Ca 0.18 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 2aw3 h TYR 579 Cb 0.85 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2aw3 h TYR 579 CO 0.76 0.39 -0.01 1.25 -1.05 0.00 0.00 178.16 179.50 2aw3 h LEU 580 N 0.73 -0.01 -1.15 3.88 5.85 -1.95 -2.08 115.31 120.56 2aw3 h LEU 580 Ca 0.31 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2aw3 h LEU 580 Cb 0.28 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2aw3 h LEU 580 CO -0.10 0.23 0.58 0.00 -0.34 0.00 0.00 178.44 178.81 2aw3 h ALA 581 N 0.72 1.52 -0.15 1.25 0.00 -1.87 0.19 119.26 120.92 2aw3 h ALA 581 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2aw3 h ALA 581 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2aw3 h ALA 581 CO 0.00 0.35 -0.07 0.87 0.00 0.00 0.00 179.25 180.40 2aw3 h LYS 582 N 1.02 0.23 0.01 0.00 1.57 -1.28 -2.19 116.57 115.93 2aw3 h LYS 582 Ca 0.39 -0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 58.88 2aw3 h LYS 582 Cb 0.20 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2aw3 h LYS 582 CO -0.14 0.32 -0.99 -0.97 -0.57 0.00 0.00 179.45 177.10 2aw3 h ASN 583 N 0.23 0.62 -0.73 0.86 -0.00 0.06 -2.53 115.58 114.08 2aw3 h ASN 583 Ca 0.05 -0.50 0.01 0.00 -0.00 0.00 0.00 56.30 55.86 2aw3 h ASN 583 Cb 0.28 -0.19 -0.04 0.00 -0.00 0.00 0.00 38.32 38.37 2aw3 h ASN 583 CO 0.01 1.31 0.48 0.40 -0.00 0.00 0.00 177.43 179.63 2aw3 h ILE 584 N 0.26 1.17 -0.17 2.57 2.04 -0.98 -1.43 117.51 120.97 2aw3 h ILE 584 Ca -0.10 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2aw3 h ILE 584 Cb 1.63 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2aw3 h ILE 584 CO 0.18 0.18 0.10 0.40 0.00 0.00 0.00 178.15 179.00 2aw3 h ILE 585 N 0.97 1.10 -0.69 -0.67 2.04 -1.23 -1.99 117.51 117.04 2aw3 h ILE 585 Ca 0.28 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.99 2aw3 h ILE 585 Cb -0.08 0.97 -0.13 0.00 -0.74 0.00 0.00 36.82 36.83 2aw3 h ILE 585 CO -0.07 0.09 -0.26 0.15 0.00 0.00 0.00 178.15 178.06 2aw3 h PHE 586 N 0.18 -0.67 -0.24 1.37 3.57 -1.26 -1.94 116.94 117.96 2aw3 h PHE 586 Ca 0.06 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2aw3 h PHE 586 Cb 0.07 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 2aw3 h PHE 586 CO -0.04 -0.35 -0.12 0.00 -2.23 0.00 0.00 178.31 175.57 2aw3 h ALA 587 N 1.39 0.08 -0.66 2.41 0.00 -0.94 -1.45 119.26 120.10 2aw3 h ALA 587 Ca 0.30 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2aw3 h ALA 587 Cb 0.55 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2aw3 h ALA 587 CO -0.74 -0.53 0.39 0.82 0.00 0.00 0.00 179.25 179.20 2aw3 h ILE 588 N -0.08 1.04 -0.15 0.00 2.04 -0.90 -0.96 117.51 118.48 2aw3 h ILE 588 Ca 0.13 -0.26 -0.19 0.00 1.00 0.00 0.00 64.86 65.54 2aw3 h ILE 588 Cb 0.28 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2aw3 h ILE 588 CO -0.30 0.14 -0.67 0.78 0.00 0.00 0.00 178.15 178.10 2aw3 h ASN 589 N 0.75 0.71 -0.17 1.72 2.35 -0.92 0.16 115.58 120.18 2aw3 h ASN 589 Ca 0.27 -0.43 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 2aw3 h ASN 589 Cb 0.08 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 2aw3 h ASN 589 CO -0.13 1.18 -0.08 0.11 -1.65 0.00 0.00 177.43 176.87 2aw3 h LYS 590 N 0.44 0.35 -0.57 0.81 1.79 -1.14 -1.09 116.57 117.16 2aw3 h LYS 590 Ca -0.02 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 2aw3 h LYS 590 Cb 1.26 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 2aw3 h LYS 590 CO 0.13 0.66 0.21 0.28 -1.08 0.00 0.00 179.45 179.65 2aw3 h VAL 591 N 0.03 1.23 -0.70 0.50 2.07 -1.10 -2.72 116.25 115.56 2aw3 h VAL 591 Ca 0.04 -0.73 0.11 0.00 0.82 0.00 0.00 66.70 66.94 2aw3 h VAL 591 Cb 0.55 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2aw3 h VAL 591 CO 0.02 0.28 0.30 0.00 0.02 0.00 0.00 177.57 178.20 2aw3 h ALA 592 N 1.07 0.96 -0.61 1.67 0.00 -0.53 -1.53 119.26 120.29 2aw3 h ALA 592 Ca 0.19 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2aw3 h ALA 592 Cb 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2aw3 h ALA 592 CO -0.01 -0.15 0.23 -0.44 0.00 0.00 0.00 179.25 178.88 2aw3 h ASP 593 N 0.49 0.82 0.34 0.00 3.32 -0.88 -0.39 116.42 120.11 2aw3 h ASP 593 Ca 0.36 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2aw3 h ASP 593 Cb 0.47 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2aw3 h ASP 593 CO -0.33 0.74 -0.17 0.58 -1.72 0.00 0.00 179.24 178.34 2aw3 h VAL 594 N 0.88 0.48 -0.95 -1.35 2.07 -1.33 -3.09 116.25 112.96 2aw3 h VAL 594 Ca 0.21 -0.71 0.14 0.00 0.82 0.00 0.00 66.70 67.16 2aw3 h VAL 594 Cb 0.19 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 2aw3 h VAL 594 CO -0.02 0.10 0.56 0.40 0.02 0.00 0.00 177.57 178.64 2aw3 h ILE 595 N -0.95 0.82 0.00 4.57 2.04 -1.10 -1.46 117.51 121.44 2aw3 h ILE 595 Ca -0.05 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2aw3 h ILE 595 Cb 0.52 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2aw3 h ILE 595 CO 0.08 0.15 0.00 0.59 0.00 0.00 0.00 178.15 178.97 2aw3 n ASN 596 N -4.73 0.69 -0.52 1.72 3.02 -0.17 -3.26 115.26 112.01 2aw3 n ASN 596 Ca 0.19 0.59 0.05 0.00 -0.03 0.00 0.00 54.58 55.38 2aw3 n ASN 596 Cb 0.42 -0.77 0.14 0.00 -0.61 0.00 0.00 39.78 38.96 2aw3 n ASN 596 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2aw3 n ASN 597 N -2.18 2.87 -4.53 6.41 3.02 -0.59 -4.98 115.26 115.29 2aw3 n ASN 597 Ca 0.05 -2.26 -0.43 0.00 -0.03 0.00 0.00 54.58 51.91 2aw3 n ASN 597 Cb 0.36 -0.25 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 2aw3 n ASN 597 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2aw3 s ASP 598 N -1.30 6.34 0.61 6.41 -1.08 -0.98 -4.94 116.67 121.73 2aw3 s ASP 598 Ca 0.22 -0.24 0.32 0.00 -0.52 0.00 0.00 52.55 52.34 2aw3 s ASP 598 Cb 0.15 -2.31 1.87 0.00 -1.46 0.00 0.00 42.92 41.16 2aw3 s ASP 598 CO 0.10 -0.71 2.20 1.55 0.52 0.00 0.00 175.17 178.83 2aw3 h PRO 599 N 8.76 0.00 -0.13 4.34 0.13 -1.93 0.83 132.00 144.01 2aw3 h PRO 599 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2aw3 h PRO 599 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2aw3 h PRO 599 CO 0.87 0.00 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.49 2aw3 h LEU 600 N 0.00 0.17 0.01 1.56 -0.00 -1.98 -3.31 115.31 111.76 2aw3 h LEU 600 Ca 0.03 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.88 57.71 2aw3 h LEU 600 Cb 0.23 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 2aw3 h LEU 600 CO -0.00 0.28 -0.96 0.58 -0.00 0.00 0.00 178.44 178.33 2aw3 h VAL 601 N 0.18 1.14 0.00 1.22 2.07 -1.17 -3.49 116.25 116.20 2aw3 h VAL 601 Ca 0.04 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.32 2aw3 h VAL 601 Cb 0.25 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2aw3 h VAL 601 CO 0.01 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.63 2aw3 n GLY 602 N 1.50 3.07 0.29 2.17 0.00 -1.08 -1.81 105.19 109.33 2aw3 n GLY 602 Ca -0.26 0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.83 2aw3 n GLY 602 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aw3 n ASP 603 N 3.46 0.84 0.11 1.61 8.00 -1.26 -3.69 116.55 125.62 2aw3 n ASP 603 Ca 0.00 -2.00 -0.03 0.00 0.71 0.00 0.00 54.79 53.47 2aw3 n ASP 603 Cb 0.00 -0.10 0.16 0.00 -0.02 0.00 0.00 41.12 41.16 2aw3 n ASP 603 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2aw3 h LYS 604 N 0.92 0.12 -2.60 -1.24 1.57 -1.70 -3.41 116.57 110.22 2aw3 h LYS 604 Ca 0.00 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 2aw3 h LYS 604 Cb 0.21 0.01 -0.26 0.00 0.08 0.00 0.00 32.23 32.27 2aw3 h LYS 604 CO 0.00 0.67 -0.30 -1.17 -0.57 0.00 0.00 179.45 178.09 2aw3 s LEU 605 N -7.81 -0.20 0.02 2.94 0.20 -1.24 -1.77 118.68 110.82 2aw3 s LEU 605 Ca -0.03 0.93 0.00 0.00 0.69 0.00 0.00 54.13 55.72 2aw3 s LEU 605 Cb 0.12 1.38 -0.02 0.00 -0.43 0.00 0.00 46.19 47.25 2aw3 s LEU 605 CO 0.78 -0.20 -0.03 -0.54 -0.29 0.00 0.00 176.35 176.07 2aw3 s LYS 606 N 1.57 0.28 -0.12 1.98 -0.14 -0.67 -4.72 119.74 117.92 2aw3 s LYS 606 Ca -0.09 -0.49 0.01 0.00 -1.36 0.00 0.00 55.97 54.04 2aw3 s LYS 606 Cb -0.09 0.01 0.02 0.00 -1.68 0.00 0.00 37.83 36.10 2aw3 s LYS 606 CO -0.13 -0.02 -0.12 0.08 -0.76 0.00 0.00 175.35 174.40 2aw3 s VAL 607 N -1.11 1.32 -0.18 3.17 1.01 -1.26 0.14 120.40 123.49 2aw3 s VAL 607 Ca -0.11 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2aw3 s VAL 607 Cb -0.08 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 35.09 2aw3 s VAL 607 CO -0.01 0.41 -0.06 -0.69 0.00 0.00 0.00 175.10 174.75 2aw3 s VAL 608 N 1.37 1.29 -0.53 2.92 1.01 -0.27 -4.86 120.40 121.33 2aw3 s VAL 608 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 2aw3 s VAL 608 Cb -0.13 -1.45 0.09 0.00 0.00 0.00 0.00 36.38 34.88 2aw3 s VAL 608 CO -0.06 0.11 0.59 0.12 0.00 0.00 0.00 175.10 175.86 2aw3 s PHE 609 N 1.55 3.09 -0.16 5.22 2.19 -1.26 -1.29 117.98 127.32 2aw3 s PHE 609 Ca -0.01 -0.85 -0.29 0.00 0.33 0.00 0.00 56.93 56.11 2aw3 s PHE 609 Cb -0.16 -3.67 -0.01 0.00 -1.31 0.00 0.00 43.02 37.87 2aw3 s PHE 609 CO -0.08 -1.08 1.21 -0.51 1.83 0.00 0.00 175.22 176.60 2aw3 s LEU 610 N 2.34 4.19 0.43 6.12 1.43 -0.88 -5.00 118.68 127.31 2aw3 s LEU 610 Ca 0.10 1.66 -0.21 0.00 -1.03 0.00 0.00 54.13 54.65 2aw3 s LEU 610 Cb -0.23 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.35 2aw3 s LEU 610 CO 0.08 -0.71 0.98 -2.16 0.23 0.00 0.00 176.35 174.77 2aw3 s PRO 611 N 3.20 4.15 -0.72 1.29 0.04 -1.26 -4.14 135.00 137.56 2aw3 s PRO 611 Ca 0.53 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 2aw3 s PRO 611 Cb -0.21 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2aw3 s PRO 611 CO 0.15 -0.11 0.60 -3.47 0.04 0.00 0.00 177.00 174.20 2aw3 n ASP 612 N -0.57 -2.43 -4.61 6.66 2.03 -1.24 -4.96 116.55 111.43 2aw3 n ASP 612 Ca 0.07 -0.35 -0.47 0.00 0.52 0.00 0.00 54.79 54.56 2aw3 n ASP 612 Cb 0.53 -3.20 -0.03 0.00 -0.72 0.00 0.00 41.12 37.70 2aw3 n ASP 612 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aw3 n TYR 613 N -3.01 1.60 -3.82 -0.67 9.36 -1.26 -4.89 117.16 114.47 2aw3 n TYR 613 Ca -0.14 0.60 -0.06 0.00 3.32 0.00 0.00 57.90 61.62 2aw3 n TYR 613 Cb 0.59 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 2aw3 n TYR 613 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2aw3 h VAL 615 N 2.00 1.02 -0.41 0.00 2.07 -1.93 -0.95 116.25 118.05 2aw3 h VAL 615 Ca -0.26 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 2aw3 h VAL 615 Cb 1.24 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2aw3 h VAL 615 CO 0.31 0.20 0.08 0.28 0.02 0.00 0.00 177.57 178.46 2aw3 h SER 616 N 1.10 0.65 -0.09 0.57 0.02 -1.97 -1.73 113.55 112.10 2aw3 h SER 616 Ca 0.46 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2aw3 h SER 616 Cb 0.30 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2aw3 h SER 616 CO -0.21 0.73 0.04 0.00 -1.14 0.00 0.00 176.83 176.25 2aw3 h ALA 617 N 0.94 0.11 -0.88 3.77 0.00 -1.83 -2.91 119.26 118.46 2aw3 h ALA 617 Ca 0.13 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.17 2aw3 h ALA 617 Cb 0.35 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 2aw3 h ALA 617 CO 0.01 -0.31 0.37 0.00 0.00 0.00 0.00 179.25 179.32 2aw3 h ALA 618 N 0.89 1.40 0.00 0.00 0.00 -0.98 0.28 119.26 120.85 2aw3 h ALA 618 Ca 0.03 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2aw3 h ALA 618 Cb 0.15 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2aw3 h ALA 618 CO -0.00 -0.34 -0.15 0.93 0.00 0.00 0.00 179.25 179.69 2aw3 h GLU 619 N 0.39 0.00 0.13 0.00 5.08 -1.12 -1.16 114.58 117.89 2aw3 h GLU 619 Ca 0.55 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.72 2aw3 h GLU 619 Cb 1.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.30 2aw3 h GLU 619 CO -0.53 0.15 -0.84 0.87 -1.00 0.00 0.00 179.01 177.66 2aw3 h LYS 620 N 0.00 0.27 -0.24 2.33 1.79 -0.98 -3.40 116.57 116.33 2aw3 h LYS 620 Ca -0.00 -0.46 -0.08 0.00 -2.18 0.00 0.00 60.65 57.94 2aw3 h LYS 620 Cb 0.29 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2aw3 h LYS 620 CO 0.02 1.22 -0.15 -0.07 -1.08 0.00 0.00 179.45 179.39 2aw3 h LEU 621 N -0.42 0.55 0.40 2.94 3.38 -0.85 -3.36 115.31 117.95 2aw3 h LEU 621 Ca -0.16 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 2aw3 h LEU 621 Cb 1.61 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2aw3 h LEU 621 CO 0.12 0.86 -0.33 0.40 0.09 0.00 0.00 178.44 179.58 2aw3 h ILE 622 N 0.24 0.32 -0.09 1.22 2.04 -1.44 -2.03 117.51 117.77 2aw3 h ILE 622 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2aw3 h ILE 622 Cb 0.67 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2aw3 h ILE 622 CO 0.04 0.00 0.23 -0.65 0.00 0.00 0.00 178.15 177.77 2aw3 h PRO 623 N -0.74 0.00 -0.01 2.37 0.11 -1.78 -2.47 132.00 129.49 2aw3 h PRO 623 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2aw3 h PRO 623 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2aw3 h PRO 623 CO -0.02 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 177.39 2aw3 n ALA 624 N -2.10 3.32 -2.14 -0.75 0.00 -0.78 -4.74 120.51 113.33 2aw3 n ALA 624 Ca -0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 2aw3 n ALA 624 Cb 0.32 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 2aw3 n ALA 624 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw3 s ALA 625 N -2.69 3.40 -0.18 0.00 0.00 -0.93 -4.69 121.76 116.66 2aw3 s ALA 625 Ca 0.19 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 2aw3 s ALA 625 Cb 0.18 -3.40 -0.22 0.00 0.00 0.00 0.00 23.12 19.69 2aw3 s ALA 625 CO 0.60 -0.32 0.23 -0.25 0.00 0.00 0.00 175.76 176.02 2aw3 n ASP 626 N 2.76 1.98 -4.33 0.00 8.00 -0.01 -3.76 116.55 121.19 2aw3 n ASP 626 Ca 0.05 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.54 2aw3 n ASP 626 Cb 0.46 -0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 40.50 2aw3 n ASP 626 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2aw3 s ILE 627 N -2.46 2.77 -0.34 0.53 -1.09 -0.31 -1.15 121.20 119.15 2aw3 s ILE 627 Ca -0.27 -0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 57.26 2aw3 s ILE 627 Cb 0.07 -2.14 -0.01 0.00 -1.58 0.00 0.00 42.46 38.80 2aw3 s ILE 627 CO 0.66 0.54 0.22 -0.55 -1.23 0.00 0.00 174.94 174.58 2aw3 s SER 628 N 0.32 5.93 -0.46 3.58 0.15 -0.30 -1.26 113.70 121.65 2aw3 s SER 628 Ca -0.13 -0.48 -0.23 0.00 0.70 0.00 0.00 55.95 55.81 2aw3 s SER 628 Cb -0.16 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2aw3 s SER 628 CO 0.06 -0.24 0.77 -1.61 1.20 0.00 0.00 173.24 173.43 2aw3 s GLU 629 N 1.69 3.37 -0.50 5.44 0.41 -0.96 -1.47 118.70 126.68 2aw3 s GLU 629 Ca 0.06 -0.20 0.07 0.00 -0.41 0.00 0.00 54.97 54.49 2aw3 s GLU 629 Cb -0.17 -3.96 0.27 0.00 -1.78 0.00 0.00 34.13 28.48 2aw3 s GLU 629 CO 0.09 -1.14 0.66 1.04 -0.49 0.00 0.00 175.26 175.42 2aw3 n GLN 630 N 6.70 1.65 -0.77 1.61 1.13 -0.12 -4.74 117.38 122.85 2aw3 n GLN 630 Ca 0.01 -3.93 -0.03 0.00 -1.94 0.00 0.00 57.00 51.11 2aw3 n GLN 630 Cb 0.48 -1.75 0.21 0.00 0.11 0.00 0.00 30.24 29.29 2aw3 n GLN 630 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2aw3 n ILE 631 N 0.95 2.53 -1.40 5.09 -5.35 -1.26 -2.34 119.36 117.58 2aw3 n ILE 631 Ca 0.26 -2.62 -0.34 0.00 -0.27 0.00 0.00 62.75 59.78 2aw3 n ILE 631 Cb 0.48 -0.32 0.09 0.00 -1.74 0.00 0.00 39.64 38.16 2aw3 n ILE 631 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2aw3 s SER 632 N -2.44 4.22 0.24 7.28 1.04 -1.26 -4.71 113.70 118.06 2aw3 s SER 632 Ca 0.44 2.26 -0.31 0.00 0.48 0.00 0.00 55.95 58.83 2aw3 s SER 632 Cb 0.40 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.83 2aw3 s SER 632 CO 0.01 -2.24 1.57 -0.89 0.98 0.00 0.00 173.24 172.67 2aw3 s THR 633 N -2.15 2.34 0.20 2.02 2.01 -0.98 -4.65 115.64 114.44 2aw3 s THR 633 Ca 0.72 0.27 -0.31 0.00 0.31 0.00 0.00 61.69 62.67 2aw3 s THR 633 Cb -0.27 -3.17 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 2aw3 s THR 633 CO 0.46 0.03 1.58 0.00 -0.69 0.00 0.00 174.62 176.01 2aw3 s ALA 634 N 0.47 3.78 0.00 7.40 0.00 -1.26 -1.91 121.76 130.25 2aw3 s ALA 634 Ca 0.66 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2aw3 s ALA 634 Cb -0.46 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2aw3 s ALA 634 CO 0.40 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2aw3 n GLY 635 N 3.40 0.24 0.05 0.00 0.00 -1.26 -4.66 105.19 102.96 2aw3 n GLY 635 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2aw3 n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aw3 n LYS 636 N -1.87 1.60 -3.09 1.61 4.76 -0.80 -4.85 118.16 115.51 2aw3 n LYS 636 Ca 0.00 -0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 54.98 2aw3 n LYS 636 Cb 0.00 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 2aw3 n LYS 636 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2aw3 s GLU 637 N -2.44 3.24 0.14 1.97 2.56 -1.26 -4.76 118.70 118.15 2aw3 s GLU 637 Ca -0.06 -0.49 -0.19 0.00 0.00 0.00 0.00 54.97 54.23 2aw3 s GLU 637 Cb 0.05 -4.00 -0.00 0.00 2.00 0.00 0.00 34.13 32.18 2aw3 s GLU 637 CO 0.54 -1.11 1.72 0.00 -0.56 0.00 0.00 175.26 175.85 2aw3 h ALA 638 N 8.95 0.23 -0.36 6.30 0.00 -1.89 -2.90 119.26 129.59 2aw3 h ALA 638 Ca -0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2aw3 h ALA 638 Cb 1.09 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2aw3 h ALA 638 CO 0.93 -0.40 0.00 0.45 0.00 0.00 0.00 179.25 180.23 2aw3 n SER 639 N -5.12 0.00 0.00 0.00 2.88 -1.26 -4.23 113.62 105.89 2aw3 n SER 639 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2aw3 n SER 639 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2aw3 n SER 639 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aw3 n GLY 640 N 1.61 0.82 0.00 0.46 0.00 -1.26 -1.31 105.19 105.50 2aw3 n GLY 640 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2aw3 n GLY 640 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aw3 n THR 641 N 1.25 0.00 -0.29 2.61 -2.24 -1.26 -4.75 114.28 109.60 2aw3 n THR 641 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2aw3 n THR 641 Cb 0.00 -0.34 0.23 0.00 -2.10 0.00 0.00 70.33 68.11 2aw3 n THR 641 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2aw3 h GLY 642 N 0.00 1.38 0.15 3.38 0.00 -1.95 -1.29 103.07 104.73 2aw3 h GLY 642 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 47.33 47.20 2aw3 h GLY 642 CO 0.00 -0.05 0.10 3.45 0.00 0.00 0.00 176.54 180.04 2aw3 h ASN 643 N 0.60 -0.05 -0.38 0.19 -1.07 -1.94 -0.34 115.58 112.59 2aw3 h ASN 643 Ca 0.47 0.12 -0.03 0.00 0.07 0.00 0.00 56.30 56.93 2aw3 h ASN 643 Cb 0.67 0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 37.08 2aw3 h ASN 643 CO -0.37 -0.02 0.14 0.24 0.07 0.00 0.00 177.43 177.49 2aw3 h MET 644 N 0.23 0.58 -0.44 4.14 2.86 -1.56 -1.62 114.93 119.12 2aw3 h MET 644 Ca 0.31 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2aw3 h MET 644 Cb 0.47 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 2aw3 h MET 644 CO -0.42 0.57 0.16 0.87 1.06 0.00 0.00 176.91 179.15 2aw3 h LYS 645 N 0.47 0.32 -0.29 1.72 1.57 -0.78 -2.19 116.57 117.39 2aw3 h LYS 645 Ca 0.13 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2aw3 h LYS 645 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2aw3 h LYS 645 CO -0.01 0.21 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.61 2aw3 h LEU 646 N 0.33 0.75 -0.30 2.94 3.38 -0.94 -2.87 115.31 118.60 2aw3 h LEU 646 Ca 0.20 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2aw3 h LEU 646 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2aw3 h LEU 646 CO -0.21 1.06 -0.24 0.00 0.09 0.00 0.00 178.44 179.15 2aw3 h ALA 647 N 0.97 0.43 -0.03 1.53 0.00 -1.04 -2.56 119.26 118.57 2aw3 h ALA 647 Ca 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2aw3 h ALA 647 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2aw3 h ALA 647 CO 0.09 0.41 -0.18 -0.07 0.00 0.00 0.00 179.25 179.50 2aw3 h LEU 648 N 0.44 0.04 -1.43 0.00 3.38 -1.30 -2.72 115.31 113.72 2aw3 h LEU 648 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2aw3 h LEU 648 Cb 0.80 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2aw3 h LEU 648 CO 0.06 0.23 0.00 0.59 0.09 0.00 0.00 178.44 179.41 2aw3 n ASN 649 N -4.30 2.14 0.00 -0.43 3.02 -1.09 -4.40 115.26 110.21 2aw3 n ASN 649 Ca -0.02 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2aw3 n ASN 649 Cb 0.26 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2aw3 n ASN 649 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aw3 n GLY 650 N 1.23 1.09 3.80 7.41 0.00 -1.03 -4.86 105.19 112.83 2aw3 n GLY 650 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2aw3 n GLY 650 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw3 s ALA 651 N -2.00 3.35 0.06 4.61 0.00 -0.99 -4.81 121.76 121.98 2aw3 s ALA 651 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 2aw3 s ALA 651 Cb 0.00 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 2aw3 s ALA 651 CO 0.00 0.28 0.37 -0.51 0.00 0.00 0.00 175.76 175.89 2aw3 s LEU 652 N -1.93 4.36 -0.12 0.00 1.43 -0.30 -4.36 118.68 117.76 2aw3 s LEU 652 Ca 0.45 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 54.12 2aw3 s LEU 652 Cb -0.18 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2aw3 s LEU 652 CO 0.22 0.20 0.42 -0.89 0.23 0.00 0.00 176.35 176.54 2aw3 s THR 653 N -1.35 5.21 -0.29 5.49 2.01 -1.26 -1.15 115.64 124.29 2aw3 s THR 653 Ca 0.31 0.84 -0.08 0.00 0.31 0.00 0.00 61.69 63.07 2aw3 s THR 653 Cb -0.14 -3.76 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 2aw3 s THR 653 CO 0.17 0.36 0.09 -0.69 -0.69 0.00 0.00 174.62 173.87 2aw3 s VAL 654 N 0.47 4.20 -0.12 3.82 1.01 -0.54 -0.78 120.40 128.46 2aw3 s VAL 654 Ca 0.23 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 2aw3 s VAL 654 Cb -0.15 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.19 2aw3 s VAL 654 CO 0.09 0.14 0.65 -0.83 0.00 0.00 0.00 175.10 175.15 2aw3 s GLY 655 N 1.56 -0.52 0.64 4.51 0.00 -0.93 -0.94 107.32 111.64 2aw3 s GLY 655 Ca 0.04 1.47 -0.11 0.00 0.00 0.00 0.00 44.72 46.12 2aw3 s GLY 655 CO 0.04 1.16 1.04 -0.51 0.00 0.00 0.00 173.10 174.82 2aw3 s THR 656 N -0.61 4.32 -1.31 0.90 -4.23 -0.99 -1.33 115.64 112.39 2aw3 s THR 656 Ca -0.07 0.71 -0.18 0.00 -1.18 0.00 0.00 61.69 60.97 2aw3 s THR 656 Cb -0.02 -3.74 0.06 0.00 1.34 0.00 0.00 72.50 70.14 2aw3 s THR 656 CO 0.06 -0.96 1.79 0.18 -0.54 0.00 0.00 174.62 175.15 2aw3 n LEU 657 N -2.81 5.05 -3.86 4.79 4.77 -1.26 -4.74 117.00 118.94 2aw3 n LEU 657 Ca 0.06 -3.91 -0.10 0.00 -0.03 0.00 0.00 56.01 52.03 2aw3 n LEU 657 Cb 0.55 -1.74 -0.09 0.00 -2.33 0.00 0.00 43.42 39.82 2aw3 n LEU 657 CO 0.58 0.16 -0.12 -0.62 -1.33 0.00 0.00 177.39 176.05 2aw3 s ASP 658 N 4.22 0.07 1.08 -1.43 2.15 -1.26 -4.59 116.67 116.91 2aw3 s ASP 658 Ca 0.54 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.11 2aw3 s ASP 658 Cb 0.05 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 2aw3 s ASP 658 CO 0.07 -0.55 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 2aw3 n GLY 659 N 0.68 3.02 0.15 2.66 0.00 -1.10 -1.03 105.19 109.57 2aw3 n GLY 659 Ca -0.19 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2aw3 n GLY 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw3 n ALA 660 N 9.48 2.82 -0.23 4.61 0.00 -0.43 -3.62 120.51 133.15 2aw3 n ALA 660 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.24 2aw3 n ALA 660 Cb 0.00 -1.29 0.38 0.00 0.00 0.00 0.00 19.45 18.55 2aw3 n ALA 660 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2aw3 h ASN 661 N 0.76 0.63 -0.40 0.00 4.21 -1.30 0.22 115.58 119.69 2aw3 h ASN 661 Ca 0.00 0.02 -0.10 0.00 1.21 0.00 0.00 56.30 57.44 2aw3 h ASN 661 Cb 0.39 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 2aw3 h ASN 661 CO 0.00 0.35 -0.13 -0.37 -1.29 0.00 0.00 177.43 175.99 2aw3 h VAL 662 N 0.69 1.28 -0.33 2.81 -1.51 -1.62 0.07 116.25 117.63 2aw3 h VAL 662 Ca 0.39 -1.24 -0.09 0.00 -1.23 0.00 0.00 66.70 64.52 2aw3 h VAL 662 Cb 0.58 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 2aw3 h VAL 662 CO -0.16 0.42 -0.19 -0.33 -1.23 0.00 0.00 177.57 176.08 2aw3 h GLU 663 N 0.61 0.62 0.44 5.19 5.08 -1.58 -1.90 114.58 123.04 2aw3 h GLU 663 Ca 0.10 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2aw3 h GLU 663 Cb 0.67 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2aw3 h GLU 663 CO 0.05 0.77 -0.21 0.82 -1.00 0.00 0.00 179.01 179.44 2aw3 h ILE 664 N 0.55 0.57 -0.68 3.13 2.04 -0.37 -2.06 117.51 120.69 2aw3 h ILE 664 Ca 0.09 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.95 2aw3 h ILE 664 Cb 0.63 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2aw3 h ILE 664 CO 0.04 0.01 0.36 0.00 0.00 0.00 0.00 178.15 178.57 2aw3 h ALA 665 N -0.07 0.93 -0.71 1.87 0.00 -0.94 0.14 119.26 120.47 2aw3 h ALA 665 Ca -0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2aw3 h ALA 665 Cb 0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2aw3 h ALA 665 CO 0.10 -0.00 0.22 1.49 0.00 0.00 0.00 179.25 181.05 2aw3 h GLU 666 N 0.64 1.11 -0.10 0.00 4.81 -1.29 -1.38 114.58 118.37 2aw3 h GLU 666 Ca 0.32 -0.24 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 2aw3 h GLU 666 Cb 0.27 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2aw3 h GLU 666 CO -0.22 0.95 -0.69 0.87 -0.73 0.00 0.00 179.01 179.18 2aw3 h LYS 667 N 1.06 0.64 0.01 1.92 1.79 -0.70 -3.37 116.57 117.92 2aw3 h LYS 667 Ca 0.23 -0.56 -0.23 0.00 -2.18 0.00 0.00 60.65 57.91 2aw3 h LYS 667 Cb 0.31 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 2aw3 h LYS 667 CO -0.01 1.18 -1.13 -0.39 -1.08 0.00 0.00 179.45 178.02 2aw3 h VAL 668 N 0.30 1.57 0.00 0.50 -1.51 -0.64 -3.47 116.25 113.00 2aw3 h VAL 668 Ca -0.06 -3.29 0.00 0.00 -1.23 0.00 0.00 66.70 62.12 2aw3 h VAL 668 Cb 1.34 2.78 0.00 0.00 -2.13 0.00 0.00 31.29 33.29 2aw3 h VAL 668 CO 0.14 0.90 0.00 0.61 -1.23 0.00 0.00 177.57 177.99 2aw3 n GLY 669 N 1.39 2.37 0.20 5.19 0.00 -0.53 -4.70 105.19 109.13 2aw3 n GLY 669 Ca -0.03 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.52 2aw3 n GLY 669 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2aw3 h GLU 670 N 0.00 0.00 0.00 1.61 4.11 -1.91 -1.24 114.58 117.15 2aw3 h GLU 670 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2aw3 h GLU 670 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2aw3 h GLU 670 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.23 2aw3 n GLU 671 N -2.61 0.27 -0.09 1.06 0.00 -1.26 -3.63 120.64 114.38 2aw3 n GLU 671 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 57.16 57.23 2aw3 n GLU 671 Cb 0.22 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.24 2aw3 n GLU 671 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2aw3 n ASN 672 N -1.35 2.44 -3.70 -1.84 3.02 -0.47 -5.00 115.26 108.37 2aw3 n ASN 672 Ca 0.11 -2.10 -0.14 0.00 -0.03 0.00 0.00 54.58 52.41 2aw3 n ASN 672 Cb 0.24 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 2aw3 n ASN 672 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2aw3 s ILE 673 N -1.18 0.04 -1.00 2.41 2.07 -1.24 -4.71 121.20 117.60 2aw3 s ILE 673 Ca 0.12 -0.35 -0.04 0.00 -1.41 0.00 0.00 60.65 58.96 2aw3 s ILE 673 Cb 0.07 -0.72 0.26 0.00 0.13 0.00 0.00 42.46 42.20 2aw3 s ILE 673 CO 0.06 -0.19 1.01 0.49 -1.91 0.00 0.00 174.94 174.40 2aw3 n PHE 674 N 1.16 4.32 -2.61 3.50 3.01 0.04 -4.91 117.46 121.97 2aw3 n PHE 674 Ca -0.21 -3.83 -0.38 0.00 1.01 0.00 0.00 57.45 54.04 2aw3 n PHE 674 Cb 0.56 -1.34 -0.05 0.00 -0.01 0.00 0.00 39.48 38.64 2aw3 n PHE 674 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2aw3 s ILE 675 N -1.62 3.84 0.18 4.37 -1.09 -1.26 -2.18 121.20 123.43 2aw3 s ILE 675 Ca 0.30 1.57 -0.15 0.00 -2.23 0.00 0.00 60.65 60.15 2aw3 s ILE 675 Cb -0.05 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2aw3 s ILE 675 CO -0.07 0.17 0.44 0.72 -1.23 0.00 0.00 174.94 174.97 2aw3 s PHE 676 N -1.49 0.02 0.00 3.97 -0.71 -0.44 -4.91 117.98 114.42 2aw3 s PHE 676 Ca 0.51 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 56.03 2aw3 s PHE 676 Cb -0.24 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.82 2aw3 s PHE 676 CO 0.30 -0.83 0.00 0.41 -1.34 0.00 0.00 175.22 173.76 2aw3 n GLY 677 N -0.29 -2.99 3.77 1.99 0.00 -1.26 -4.10 105.19 102.31 2aw3 n GLY 677 Ca -0.10 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 2aw3 n GLY 677 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aw3 s HIS 678 N -0.63 3.21 1.06 1.61 3.76 -1.26 -4.87 115.29 118.16 2aw3 s HIS 678 Ca 0.00 1.57 -0.17 0.00 -0.15 0.00 0.00 55.06 56.31 2aw3 s HIS 678 Cb 0.00 -3.40 0.23 0.00 1.11 0.00 0.00 32.58 30.52 2aw3 s HIS 678 CO 0.00 -1.17 1.20 0.95 -0.85 0.00 0.00 174.74 174.87 2aw3 s THR 679 N -1.32 1.82 0.11 1.30 -4.23 -1.26 -4.54 115.64 107.52 2aw3 s THR 679 Ca 0.52 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.82 2aw3 s THR 679 Cb -0.32 -2.73 -0.11 0.00 1.34 0.00 0.00 72.50 70.68 2aw3 s THR 679 CO 0.41 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.83 2aw3 h VAL 680 N -2.05 1.02 -0.54 2.29 2.07 -1.83 -0.89 116.25 116.33 2aw3 h VAL 680 Ca -0.45 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2aw3 h VAL 680 Cb 1.27 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2aw3 h VAL 680 CO 0.40 0.02 0.35 -0.33 0.02 0.00 0.00 177.57 178.03 2aw3 h GLU 681 N 0.13 0.68 -0.00 1.57 3.07 -1.93 -1.37 114.58 116.74 2aw3 h GLU 681 Ca 0.04 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 2aw3 h GLU 681 Cb -0.01 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2aw3 h GLU 681 CO -0.01 0.45 -0.49 1.96 -1.40 0.00 0.00 179.01 179.52 2aw3 h GLN 682 N 0.70 0.00 0.03 2.33 4.20 -1.86 -1.55 115.11 118.97 2aw3 h GLN 682 Ca 0.21 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 2aw3 h GLN 682 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2aw3 h GLN 682 CO -0.06 0.49 -0.01 0.28 -0.67 0.00 0.00 178.83 178.86 2aw3 h VAL 683 N 0.00 1.26 -0.94 -0.54 2.07 -0.42 -1.92 116.25 115.76 2aw3 h VAL 683 Ca -0.00 -0.91 0.14 0.00 0.82 0.00 0.00 66.70 66.74 2aw3 h VAL 683 Cb 0.87 1.87 -0.08 0.00 -1.52 0.00 0.00 31.29 32.43 2aw3 h VAL 683 CO 0.06 0.23 0.60 0.11 0.02 0.00 0.00 177.57 178.59 2aw3 h LYS 684 N -0.43 0.80 0.09 1.57 1.57 -1.18 -2.28 116.57 116.70 2aw3 h LYS 684 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2aw3 h LYS 684 Cb 0.41 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2aw3 h LYS 684 CO 0.01 0.53 -0.04 0.00 -0.57 0.00 0.00 179.45 179.37 2aw3 h ALA 685 N 1.58 -0.12 -0.82 3.86 0.00 -1.20 -1.72 119.26 120.85 2aw3 h ALA 685 Ca 0.47 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2aw3 h ALA 685 Cb 0.63 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2aw3 h ALA 685 CO -0.24 -0.37 0.54 0.82 0.00 0.00 0.00 179.25 180.00 2aw3 h ILE 686 N -0.51 1.04 -0.05 0.00 2.04 -1.07 -1.93 117.51 117.03 2aw3 h ILE 686 Ca -0.01 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2aw3 h ILE 686 Cb 0.43 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2aw3 h ILE 686 CO 0.02 0.16 -0.05 -0.07 0.00 0.00 0.00 178.15 178.21 2aw3 h LEU 687 N 0.89 0.13 -0.50 1.44 3.38 -1.34 -3.02 115.31 116.29 2aw3 h LEU 687 Ca 0.36 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2aw3 h LEU 687 Cb 0.25 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2aw3 h LEU 687 CO -0.13 0.59 0.23 0.00 0.09 0.00 0.00 178.44 179.22 2aw3 h ALA 688 N 0.54 0.63 0.00 1.53 0.00 -1.15 -2.62 119.26 118.19 2aw3 h ALA 688 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2aw3 h ALA 688 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2aw3 h ALA 688 CO 0.01 -0.14 0.00 -0.22 0.00 0.00 0.00 179.25 178.90 2aw3 h LYS 689 N 0.44 0.00 -0.11 0.00 3.64 -1.39 -3.47 116.57 115.69 2aw3 h LYS 689 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2aw3 h LYS 689 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2aw3 h LYS 689 CO -0.18 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.41 2aw3 n GLY 690 N 0.03 0.35 3.67 5.01 0.00 -0.99 -5.07 105.19 108.19 2aw3 n GLY 690 Ca 0.02 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 2aw3 n GLY 690 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2aw3 s TYR 691 N 0.00 3.33 -0.54 1.61 5.04 -1.20 -4.92 117.35 120.68 2aw3 s TYR 691 Ca 0.00 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2aw3 s TYR 691 Cb 0.00 -2.25 0.14 0.00 0.35 0.00 0.00 41.96 40.20 2aw3 s TYR 691 CO 0.00 0.11 0.31 0.34 -1.34 0.00 0.00 175.55 174.97 2aw3 s ASP 692 N 0.93 4.83 0.52 4.32 2.15 -1.26 -4.98 116.67 123.18 2aw3 s ASP 692 Ca 0.08 -2.78 0.20 0.00 0.43 0.00 0.00 52.55 50.48 2aw3 s ASP 692 Cb -0.13 -1.75 1.32 0.00 -0.30 0.00 0.00 42.92 42.07 2aw3 s ASP 692 CO 0.03 -0.33 2.09 1.55 -0.17 0.00 0.00 175.17 178.34 2aw3 h PRO 693 N 6.96 0.00 -0.10 4.34 0.13 -1.89 -1.75 132.00 139.69 2aw3 h PRO 693 Ca -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 2aw3 h PRO 693 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2aw3 h PRO 693 CO 0.68 0.00 -0.50 0.28 -0.23 0.00 0.00 178.00 178.24 2aw3 h VAL 694 N 0.00 1.34 0.02 1.56 2.07 -1.90 -1.01 116.25 118.33 2aw3 h VAL 694 Ca 0.10 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2aw3 h VAL 694 Cb 0.41 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2aw3 h VAL 694 CO -0.00 0.51 -0.02 0.50 0.02 0.00 0.00 177.57 178.58 2aw3 h LYS 695 N 0.20 -0.04 -0.32 1.57 3.64 -1.75 0.11 116.57 119.98 2aw3 h LYS 695 Ca 0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2aw3 h LYS 695 Cb 0.95 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 2aw3 h LYS 695 CO 0.08 -0.03 0.16 -1.49 -2.27 0.00 0.00 179.45 175.90 2aw3 h TRP 696 N -0.05 0.31 -0.46 1.91 4.06 -1.53 -2.08 115.95 118.12 2aw3 h TRP 696 Ca 0.00 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.04 2aw3 h TRP 696 Cb 0.05 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.05 2aw3 h TRP 696 CO -0.09 0.17 0.07 -0.09 -3.56 0.00 0.00 178.44 174.95 2aw3 h ARG 697 N 0.34 0.20 -0.23 0.49 2.43 -0.81 -2.74 114.38 114.06 2aw3 h ARG 697 Ca 0.13 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 2aw3 h ARG 697 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2aw3 h ARG 697 CO -0.09 0.13 -0.39 0.87 -1.51 0.00 0.00 179.97 178.98 2aw3 h LYS 698 N 0.20 0.54 -0.13 0.20 1.79 -0.51 -2.99 116.57 115.67 2aw3 h LYS 698 Ca 0.23 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 2aw3 h LYS 698 Cb 0.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2aw3 h LYS 698 CO -0.31 0.84 -0.43 0.87 -1.08 0.00 0.00 179.45 179.34 2aw3 h LYS 699 N 0.44 0.29 -5.31 3.15 1.79 -1.13 -3.42 116.57 112.39 2aw3 h LYS 699 Ca 0.04 -0.15 -0.63 0.00 -2.18 0.00 0.00 60.65 57.73 2aw3 h LYS 699 Cb 0.88 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.39 2aw3 h LYS 699 CO 0.08 0.68 -0.01 0.34 -1.08 0.00 0.00 179.45 179.45 2aw3 s ASP 700 N -6.87 6.37 0.24 0.86 -1.08 -1.06 -4.97 116.67 110.15 2aw3 s ASP 700 Ca -0.05 0.16 -0.01 0.00 -0.52 0.00 0.00 52.55 52.14 2aw3 s ASP 700 Cb 0.13 -2.28 0.26 0.00 -1.46 0.00 0.00 42.92 39.57 2aw3 s ASP 700 CO 0.78 -0.44 1.63 0.11 0.52 0.00 0.00 175.17 177.77 2aw3 h LYS 701 N 8.33 0.55 -0.00 4.34 1.79 -1.82 -2.33 116.57 127.42 2aw3 h LYS 701 Ca -0.28 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 57.93 2aw3 h LYS 701 Cb 1.13 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2aw3 h LYS 701 CO 0.76 0.83 -0.01 0.28 -1.08 0.00 0.00 179.45 180.23 2aw3 h VAL 702 N 0.46 1.47 -0.77 0.50 2.07 -1.93 -1.31 116.25 116.75 2aw3 h VAL 702 Ca 0.05 -1.39 0.16 0.00 0.82 0.00 0.00 66.70 66.35 2aw3 h VAL 702 Cb 0.84 2.40 -0.11 0.00 -1.52 0.00 0.00 31.29 32.90 2aw3 h VAL 702 CO 0.07 0.36 0.24 0.25 0.02 0.00 0.00 177.57 178.51 2aw3 h LEU 703 N -0.57 0.13 -0.09 2.57 5.85 -1.86 -0.45 115.31 120.90 2aw3 h LEU 703 Ca 0.00 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2aw3 h LEU 703 Cb 0.60 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2aw3 h LEU 703 CO 0.00 0.01 -0.18 -0.78 -0.34 0.00 0.00 178.44 177.15 2aw3 h ASP 704 N 0.33 0.31 -0.86 1.25 3.58 -1.44 -2.49 116.42 117.11 2aw3 h ASP 704 Ca 0.44 -0.56 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2aw3 h ASP 704 Cb 0.74 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 2aw3 h ASP 704 CO -0.49 0.81 0.53 0.00 -2.88 0.00 0.00 179.24 177.22 2aw3 h ALA 705 N 0.51 1.31 0.01 -0.78 0.00 -0.71 -1.51 119.26 118.09 2aw3 h ALA 705 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 2aw3 h ALA 705 Cb 0.76 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2aw3 h ALA 705 CO 0.04 0.60 -1.03 0.28 0.00 0.00 0.00 179.25 179.14 2aw3 h VAL 706 N 1.19 1.33 -0.38 0.00 2.07 -1.08 -1.84 116.25 117.53 2aw3 h VAL 706 Ca 0.31 -2.36 0.01 0.00 0.82 0.00 0.00 66.70 65.49 2aw3 h VAL 706 Cb -0.07 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2aw3 h VAL 706 CO -0.06 0.72 0.26 -0.07 0.02 0.00 0.00 177.57 178.43 2aw3 h LEU 707 N 0.32 0.42 -0.74 2.57 3.38 -1.28 -2.83 115.31 117.14 2aw3 h LEU 707 Ca -0.12 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2aw3 h LEU 707 Cb 1.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2aw3 h LEU 707 CO 0.19 0.30 -0.42 0.11 0.09 0.00 0.00 178.44 178.71 2aw3 h LYS 708 N 0.49 0.45 -0.93 1.13 1.57 -0.77 -0.98 116.57 117.55 2aw3 h LYS 708 Ca 0.14 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2aw3 h LYS 708 Cb -0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2aw3 h LYS 708 CO -0.03 0.80 0.61 0.93 -0.57 0.00 0.00 179.45 181.19 2aw3 h GLU 709 N 0.37 1.21 0.00 3.15 5.08 -1.12 -0.37 114.58 122.91 2aw3 h GLU 709 Ca 0.03 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2aw3 h GLU 709 Cb 0.90 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2aw3 h GLU 709 CO 0.08 0.80 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.44 2aw3 h LEU 710 N 1.25 0.00 0.00 1.33 3.38 -1.22 -3.23 115.31 116.81 2aw3 h LEU 710 Ca 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 2aw3 h LEU 710 Cb -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2aw3 h LEU 710 CO -0.08 0.38 -0.01 -0.33 0.09 0.00 0.00 178.44 178.49 2aw3 h GLU 711 N 0.00 0.00 0.00 1.13 5.08 -0.64 -3.37 114.58 116.78 2aw3 h GLU 711 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aw3 h GLU 711 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2aw3 h GLU 711 CO 0.05 0.01 -1.25 -1.13 -1.00 0.00 0.00 179.01 175.70 2aw3 n SER 712 N -3.10 0.57 0.00 1.42 3.41 -0.20 -4.66 113.62 111.06 2aw3 n SER 712 Ca 0.04 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2aw3 n SER 712 Cb 0.53 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 2aw3 n SER 712 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aw3 n GLY 713 N 1.25 0.74 0.38 5.00 0.00 -1.26 -4.68 105.19 106.62 2aw3 n GLY 713 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2aw3 n GLY 713 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2aw3 h LYS 714 N 2.88 0.58 -0.11 1.61 3.64 -1.90 -1.59 116.57 121.68 2aw3 h LYS 714 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2aw3 h LYS 714 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2aw3 h LYS 714 CO 0.00 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 178.22 2aw3 n TYR 715 N -4.54 0.11 -2.47 1.91 4.01 -1.26 -4.45 117.16 110.47 2aw3 n TYR 715 Ca 0.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 57.90 57.84 2aw3 n TYR 715 Cb 0.51 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.59 2aw3 n TYR 715 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2aw3 n SER 716 N 1.38 1.87 -3.63 7.72 3.41 -1.05 -4.64 113.62 118.69 2aw3 n SER 716 Ca 0.15 -2.47 -0.20 0.00 -0.26 0.00 0.00 58.87 56.09 2aw3 n SER 716 Cb 0.60 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 64.19 2aw3 n SER 716 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2aw3 n ASP 717 N -0.31 -1.59 0.00 4.04 9.92 -1.17 -1.94 116.55 125.51 2aw3 n ASP 717 Ca 0.13 -0.78 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 2aw3 n ASP 717 Cb 0.93 -4.32 0.00 0.00 -0.64 0.00 0.00 41.12 37.09 2aw3 n ASP 717 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2aw3 n GLY 718 N -1.47 2.37 3.54 0.44 0.00 -0.62 -4.98 105.19 104.47 2aw3 n GLY 718 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2aw3 n GLY 718 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aw3 s ASP 719 N -3.67 6.25 0.48 1.61 -1.08 -0.82 -4.77 116.67 114.67 2aw3 s ASP 719 Ca 0.00 -0.39 0.25 0.00 -0.52 0.00 0.00 52.55 51.89 2aw3 s ASP 719 Cb 0.00 -2.53 1.17 0.00 -1.46 0.00 0.00 42.92 40.10 2aw3 s ASP 719 CO 0.00 -1.64 1.94 0.11 0.52 0.00 0.00 175.17 176.11 2aw3 h LYS 720 N 9.77 0.00 -0.45 4.34 1.57 -1.83 -3.03 116.57 126.94 2aw3 h LYS 720 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2aw3 h LYS 720 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2aw3 h LYS 720 CO 1.22 0.19 0.00 0.72 -0.57 0.00 0.00 179.45 181.01 2aw3 n HIS 721 N -3.54 0.59 -0.36 -1.35 8.25 -1.26 -4.58 115.22 112.97 2aw3 n HIS 721 Ca -0.01 -0.29 0.07 0.00 -0.26 0.00 0.00 57.72 57.23 2aw3 n HIS 721 Cb 0.34 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.69 2aw3 n HIS 721 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aw3 h ALA 722 N 4.31 1.53 -0.55 -1.41 0.00 -1.87 -2.67 119.26 118.60 2aw3 h ALA 722 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 2aw3 h ALA 722 Cb 0.85 -0.20 -0.17 0.00 0.00 0.00 0.00 17.79 18.27 2aw3 h ALA 722 CO 0.00 0.22 0.13 1.19 0.00 0.00 0.00 179.25 180.78 2aw3 n PHE 723 N -4.62 1.69 -0.02 0.00 3.72 -1.26 -4.77 117.46 112.20 2aw3 n PHE 723 Ca 0.19 -1.70 -0.10 0.00 -0.05 0.00 0.00 57.45 55.79 2aw3 n PHE 723 Cb 0.37 -0.63 -0.04 0.00 -0.94 0.00 0.00 39.48 38.23 2aw3 n PHE 723 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2aw3 h ASP 724 N 1.01 -0.01 -0.97 4.37 3.32 -1.78 0.97 116.42 123.33 2aw3 h ASP 724 Ca 0.35 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.45 2aw3 h ASP 724 Cb 2.01 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 41.54 2aw3 h ASP 724 CO 0.61 0.01 0.64 1.56 -1.72 0.00 0.00 179.24 180.34 2aw3 h GLN 725 N 0.07 1.23 -0.10 3.56 4.20 -1.86 -0.27 115.11 121.94 2aw3 h GLN 725 Ca 0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2aw3 h GLN 725 Cb 0.06 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 2aw3 h GLN 725 CO -0.09 0.81 -0.02 1.98 -0.67 0.00 0.00 178.83 180.84 2aw3 h MET 726 N 1.26 0.19 -0.77 1.46 4.05 -1.69 -2.81 114.93 116.62 2aw3 h MET 726 Ca 0.38 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.70 2aw3 h MET 726 Cb -0.06 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 2aw3 h MET 726 CO -0.11 0.50 0.41 -0.07 0.23 0.00 0.00 176.91 177.87 2aw3 h LEU 727 N -0.12 0.97 -0.58 3.39 4.07 -0.52 -2.91 115.31 119.60 2aw3 h LEU 727 Ca 0.03 -0.09 -0.16 0.00 0.08 0.00 0.00 57.88 57.74 2aw3 h LEU 727 Cb 0.42 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2aw3 h LEU 727 CO 0.01 0.79 -0.66 0.45 -1.08 0.00 0.00 178.44 177.95 2aw3 h HIS 728 N 1.08 0.27 -0.10 1.13 3.86 -1.06 -2.79 115.15 117.54 2aw3 h HIS 728 Ca 0.27 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.24 2aw3 h HIS 728 Cb 0.05 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2aw3 h HIS 728 CO 0.01 0.81 -0.51 0.66 0.86 0.00 0.00 177.93 179.75 2aw3 h SER 729 N 0.15 0.30 -0.44 2.45 4.64 -1.29 0.26 113.55 119.62 2aw3 h SER 729 Ca -0.01 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2aw3 h SER 729 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2aw3 h SER 729 CO 0.10 0.76 0.00 2.30 -0.87 0.00 0.00 176.83 179.12 2aw3 n ILE 730 N -3.95 0.68 -1.73 0.95 -5.35 -1.20 -0.77 119.36 107.99 2aw3 n ILE 730 Ca -0.02 -0.84 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 2aw3 n ILE 730 Cb 0.56 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 2aw3 n ILE 730 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aw3 n GLY 731 N 1.29 3.72 0.30 3.28 0.00 -1.06 -4.53 105.19 108.20 2aw3 n GLY 731 Ca 0.18 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2aw3 n GLY 731 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2aw3 h LYS 732 N 0.00 0.66 0.10 1.61 1.63 -1.88 -1.31 116.57 117.39 2aw3 h LYS 732 Ca 0.00 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2aw3 h LYS 732 Cb 0.00 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2aw3 h LYS 732 CO 0.00 0.56 -0.05 1.96 -3.45 0.00 0.00 179.45 178.47 2aw3 h GLN 733 N 0.66 -0.13 0.00 1.90 7.50 -1.93 -3.32 115.11 119.78 2aw3 h GLN 733 Ca 0.16 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.32 2aw3 h GLN 733 Cb 0.16 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.72 2aw3 h GLN 733 CO -0.01 0.35 -0.46 0.78 -1.50 0.00 0.00 178.83 177.98 2aw3 h GLY 734 N -0.71 0.00 -0.08 3.46 0.00 -0.55 -3.48 103.07 101.71 2aw3 h GLY 734 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2aw3 h GLY 734 CO 0.02 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.14 2aw3 n GLY 735 N 1.15 0.47 3.83 4.60 0.00 -0.49 -4.18 105.19 110.57 2aw3 n GLY 735 Ca 0.02 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2aw3 n GLY 735 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2aw3 n ASP 736 N -0.04 -4.15 0.30 1.61 2.03 0.05 -4.80 116.55 111.56 2aw3 n ASP 736 Ca -0.02 -1.09 0.19 0.00 0.52 0.00 0.00 54.79 54.39 2aw3 n ASP 736 Cb 0.18 -2.89 0.99 0.00 -0.72 0.00 0.00 41.12 38.67 2aw3 n ASP 736 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aw3 h PRO 737 N -2.06 0.00 -0.50 -0.67 0.13 -1.73 -1.33 132.00 125.83 2aw3 h PRO 737 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2aw3 h PRO 737 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2aw3 h PRO 737 CO 0.52 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.95 2aw3 n TYR 738 N -3.27 0.88 -3.49 1.56 4.01 -1.26 -4.97 117.16 110.61 2aw3 n TYR 738 Ca -0.01 -0.57 -0.18 0.00 -0.16 0.00 0.00 57.90 56.97 2aw3 n TYR 738 Cb 0.22 -0.10 0.07 0.00 -0.31 0.00 0.00 39.34 39.22 2aw3 n TYR 738 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2aw3 n LEU 739 N 0.82 -3.85 -0.21 7.72 4.77 -0.50 -4.65 117.00 121.10 2aw3 n LEU 739 Ca 0.19 -0.68 -0.07 0.00 -0.03 0.00 0.00 56.01 55.42 2aw3 n LEU 739 Cb 0.64 -3.01 0.03 0.00 -2.33 0.00 0.00 43.42 38.75 2aw3 n LEU 739 CO 0.15 0.38 0.99 0.58 -1.33 0.00 0.00 177.39 178.16 2aw3 h VAL 740 N -1.86 1.22 -0.31 4.08 2.07 -1.94 -3.01 116.25 116.50 2aw3 h VAL 740 Ca -0.60 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 2aw3 h VAL 740 Cb 1.34 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2aw3 h VAL 740 CO 0.51 0.27 -0.20 0.24 0.02 0.00 0.00 177.57 178.41 2aw3 h MET 741 N 0.81 0.69 0.00 1.57 2.86 -1.91 -2.74 114.93 116.21 2aw3 h MET 741 Ca 0.20 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2aw3 h MET 741 Cb 0.18 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2aw3 h MET 741 CO -0.02 0.92 -0.08 0.00 1.06 0.00 0.00 176.91 178.79 2aw3 h ALA 742 N 0.75 1.09 -0.00 6.32 0.00 -1.92 -2.97 119.26 122.53 2aw3 h ALA 742 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aw3 h ALA 742 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2aw3 h ALA 742 CO 0.05 0.10 -0.37 -0.25 0.00 0.00 0.00 179.25 178.79 2aw3 n ASP 743 N -3.32 0.87 -0.05 0.00 8.00 -1.14 -4.72 116.55 116.18 2aw3 n ASP 743 Ca -0.01 -0.93 -0.08 0.00 0.71 0.00 0.00 54.79 54.48 2aw3 n ASP 743 Cb 0.27 0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 42.10 2aw3 n ASP 743 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2aw3 h PHE 744 N 0.58 -0.13 -0.46 1.24 3.57 -1.31 -2.11 116.94 118.32 2aw3 h PHE 744 Ca 0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 2aw3 h PHE 744 Cb 0.31 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2aw3 h PHE 744 CO 0.00 -0.10 -0.19 0.00 -2.23 0.00 0.00 178.31 175.79 2aw3 h ALA 745 N 1.22 0.81 -0.64 2.41 0.00 -1.85 -2.29 119.26 118.92 2aw3 h ALA 745 Ca 0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2aw3 h ALA 745 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2aw3 h ALA 745 CO -0.24 0.65 0.21 0.00 0.00 0.00 0.00 179.25 179.87 2aw3 h ALA 746 N 0.99 1.17 -0.19 0.00 0.00 -1.82 -1.57 119.26 117.85 2aw3 h ALA 746 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2aw3 h ALA 746 Cb 0.73 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2aw3 h ALA 746 CO 0.06 0.58 -0.03 -0.92 0.00 0.00 0.00 179.25 178.94 2aw3 h TYR 747 N 0.93 0.40 -0.48 0.00 3.20 -1.23 -0.87 116.97 118.93 2aw3 h TYR 747 Ca 0.21 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2aw3 h TYR 747 Cb 0.25 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2aw3 h TYR 747 CO 0.02 0.59 0.20 0.28 -1.64 0.00 0.00 178.16 177.61 2aw3 h VAL 748 N 0.09 1.18 -0.19 1.81 2.07 -1.25 -0.59 116.25 119.36 2aw3 h VAL 748 Ca 0.05 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 2aw3 h VAL 748 Cb 0.45 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2aw3 h VAL 748 CO 0.02 0.22 -0.13 -0.08 0.02 0.00 0.00 177.57 177.61 2aw3 h GLU 749 N 0.68 0.43 -0.70 1.57 4.57 -1.03 -1.92 114.58 118.18 2aw3 h GLU 749 Ca 0.17 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2aw3 h GLU 749 Cb 0.13 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 2aw3 h GLU 749 CO -0.02 0.75 0.30 0.00 -1.18 0.00 0.00 179.01 178.87 2aw3 h ALA 750 N 0.67 0.90 -0.18 2.92 0.00 -0.93 -2.24 119.26 120.41 2aw3 h ALA 750 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2aw3 h ALA 750 Cb 0.64 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2aw3 h ALA 750 CO 0.04 0.50 0.06 1.96 0.00 0.00 0.00 179.25 181.81 2aw3 h GLN 751 N 0.99 0.25 -0.48 0.00 1.08 -1.02 -1.40 115.11 114.53 2aw3 h GLN 751 Ca 0.24 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.31 2aw3 h GLN 751 Cb 0.17 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2aw3 h GLN 751 CO -0.02 0.22 -0.09 0.87 -0.95 0.00 0.00 178.83 178.85 2aw3 h LYS 752 N 0.25 0.91 0.00 1.46 1.57 -0.77 -2.75 116.57 117.24 2aw3 h LYS 752 Ca 0.06 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2aw3 h LYS 752 Cb 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2aw3 h LYS 752 CO -0.01 0.99 -0.06 1.96 -0.57 0.00 0.00 179.45 181.76 2aw3 h GLN 753 N 0.76 0.00 -0.36 3.15 4.20 -0.80 -2.57 115.11 119.49 2aw3 h GLN 753 Ca 0.12 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2aw3 h GLN 753 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2aw3 h GLN 753 CO 0.04 0.06 0.06 0.28 -0.67 0.00 0.00 178.83 178.61 2aw3 h VAL 754 N 0.00 1.23 -0.74 -0.54 2.07 -1.15 -2.30 116.25 114.83 2aw3 h VAL 754 Ca -0.00 -0.82 0.11 0.00 0.82 0.00 0.00 66.70 66.81 2aw3 h VAL 754 Cb 0.16 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 2aw3 h VAL 754 CO 0.01 0.28 0.36 0.44 0.02 0.00 0.00 177.57 178.67 2aw3 h ASP 755 N 0.43 0.45 -0.30 0.57 5.19 -1.50 -0.25 116.42 121.01 2aw3 h ASP 755 Ca 0.11 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2aw3 h ASP 755 Cb 0.34 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2aw3 h ASP 755 CO 0.01 0.24 0.05 0.58 -3.12 0.00 0.00 179.24 176.99 2aw3 h VAL 756 N 0.59 1.23 -0.43 -1.35 2.07 -1.48 -2.26 116.25 114.63 2aw3 h VAL 756 Ca 0.37 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 2aw3 h VAL 756 Cb 0.44 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2aw3 h VAL 756 CO -0.30 0.26 -0.12 0.25 0.02 0.00 0.00 177.57 177.68 2aw3 h LEU 757 N 0.32 0.77 -0.96 2.57 5.85 -0.98 -3.16 115.31 119.72 2aw3 h LEU 757 Ca 0.09 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2aw3 h LEU 757 Cb 0.34 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2aw3 h LEU 757 CO 0.01 0.91 -0.32 0.22 -0.34 0.00 0.00 178.44 178.91 2aw3 h TYR 758 N 0.70 0.42 0.00 1.25 3.20 -0.71 -2.47 116.97 119.36 2aw3 h TYR 758 Ca 0.12 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2aw3 h TYR 758 Cb 0.60 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2aw3 h TYR 758 CO 0.03 0.65 -0.25 0.00 -1.64 0.00 0.00 178.16 176.95 2aw3 h ARG 759 N 0.32 0.00 -4.30 1.82 3.08 -1.39 -3.33 114.38 110.58 2aw3 h ARG 759 Ca 0.04 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.34 2aw3 h ARG 759 Cb 0.73 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.55 2aw3 h ARG 759 CO 0.06 0.25 0.29 0.34 -1.07 0.00 0.00 179.97 179.84 2aw3 s ASP 760 N -6.85 6.61 0.34 7.04 -1.08 -0.93 -4.92 116.67 116.88 2aw3 s ASP 760 Ca -0.03 -2.29 0.15 0.00 -0.52 0.00 0.00 52.55 49.86 2aw3 s ASP 760 Cb 0.15 -2.28 0.58 0.00 -1.46 0.00 0.00 42.92 39.91 2aw3 s ASP 760 CO 0.69 -0.80 1.70 1.56 0.52 0.00 0.00 175.17 178.84 2aw3 h GLN 761 N 8.33 0.00 -0.32 4.34 1.08 -1.75 -0.46 115.11 126.33 2aw3 h GLN 761 Ca 0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2aw3 h GLN 761 Cb 1.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 2aw3 h GLN 761 CO 0.92 0.46 0.17 1.49 -0.95 0.00 0.00 178.83 180.91 2aw3 h GLU 762 N 0.00 0.45 -0.27 1.46 4.81 -1.91 -2.40 114.58 116.71 2aw3 h GLU 762 Ca -0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2aw3 h GLU 762 Cb 0.94 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2aw3 h GLU 762 CO 0.06 0.39 -0.44 0.00 -0.73 0.00 0.00 179.01 178.30 2aw3 h ALA 763 N 1.03 0.72 0.03 2.92 0.00 -1.61 -2.27 119.26 120.09 2aw3 h ALA 763 Ca 0.11 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2aw3 h ALA 763 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2aw3 h ALA 763 CO -0.02 0.67 -0.01 2.35 0.00 0.00 0.00 179.25 182.23 2aw3 h TRP 764 N 0.55 -0.04 -0.70 0.00 2.91 -1.14 -2.47 115.95 115.06 2aw3 h TRP 764 Ca 0.04 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 2aw3 h TRP 764 Cb 0.98 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.61 2aw3 h TRP 764 CO 0.05 0.20 0.23 1.15 -1.03 0.00 0.00 178.44 179.03 2aw3 h THR 765 N -0.27 1.26 -0.14 2.65 2.02 -1.44 -1.19 112.91 115.80 2aw3 h THR 765 Ca -0.00 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.35 2aw3 h THR 765 Cb 0.25 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 2aw3 h THR 765 CO 0.01 0.34 -0.40 0.03 0.37 0.00 0.00 175.52 175.86 2aw3 h ARG 766 N 1.02 -0.46 -0.92 6.66 3.08 -1.41 -0.06 114.38 122.30 2aw3 h ARG 766 Ca 0.23 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.34 2aw3 h ARG 766 Cb 0.29 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 2aw3 h ARG 766 CO -0.01 -0.30 0.60 0.00 -1.07 0.00 0.00 179.97 179.19 2aw3 h ALA 767 N 0.18 1.42 -0.31 0.04 0.00 -0.94 -1.38 119.26 118.27 2aw3 h ALA 767 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2aw3 h ALA 767 Cb 0.61 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2aw3 h ALA 767 CO -0.40 0.49 0.03 0.00 0.00 0.00 0.00 179.25 179.38 2aw3 h ALA 768 N 1.46 0.41 -0.49 0.00 0.00 -0.69 -1.82 119.26 118.15 2aw3 h ALA 768 Ca 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2aw3 h ALA 768 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2aw3 h ALA 768 CO -0.11 0.13 0.19 0.82 0.00 0.00 0.00 179.25 180.28 2aw3 h ILE 769 N 0.34 1.18 -0.03 0.00 2.04 -0.34 -1.52 117.51 119.19 2aw3 h ILE 769 Ca 0.09 -0.57 -0.15 0.00 1.00 0.00 0.00 64.86 65.23 2aw3 h ILE 769 Cb 0.38 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2aw3 h ILE 769 CO 0.01 0.22 -0.68 -0.07 0.00 0.00 0.00 178.15 177.63 2aw3 h LEU 770 N 0.69 0.14 0.07 1.44 3.38 -0.94 0.91 115.31 121.01 2aw3 h LEU 770 Ca 0.17 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2aw3 h LEU 770 Cb 0.14 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2aw3 h LEU 770 CO -0.02 0.78 -0.13 0.78 0.09 0.00 0.00 178.44 179.95 2aw3 h ASN 771 N 0.08 -0.35 -0.22 -0.43 2.35 -0.45 -1.67 115.58 114.90 2aw3 h ASN 771 Ca -0.01 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2aw3 h ASN 771 Cb 1.21 0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.64 2aw3 h ASN 771 CO 0.10 -0.19 -0.27 0.74 -1.65 0.00 0.00 177.43 176.16 2aw3 h THR 772 N -0.25 0.36 -0.14 2.81 2.02 -1.16 -2.92 112.91 113.63 2aw3 h THR 772 Ca 0.02 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 2aw3 h THR 772 Cb 0.27 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2aw3 h THR 772 CO -0.07 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.52 2aw3 h ALA 773 N 0.69 1.24 -0.11 6.16 0.00 -0.68 -3.23 119.26 123.33 2aw3 h ALA 773 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2aw3 h ALA 773 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2aw3 h ALA 773 CO -0.38 0.51 0.00 0.54 0.00 0.00 0.00 179.25 179.92 2aw3 n ARG 774 N -4.12 2.35 -0.43 0.00 1.74 -0.64 -2.38 116.66 113.19 2aw3 n ARG 774 Ca -0.01 -2.01 0.08 0.00 -0.77 0.00 0.00 57.85 55.15 2aw3 n ARG 774 Cb 0.40 -1.47 0.28 0.00 -1.02 0.00 0.00 32.46 30.65 2aw3 n ARG 774 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aw3 h GLY 776 N 3.05 0.00 2.00 0.00 0.00 -1.78 -1.76 103.07 104.57 2aw3 h GLY 776 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aw3 h GLY 776 CO 0.14 0.00 0.00 1.15 0.00 0.00 0.00 176.54 177.83 2aw3 n MET 777 N -3.49 0.17 -0.09 4.80 0.00 -1.26 -3.36 117.12 113.89 2aw3 n MET 777 Ca 0.10 0.29 0.08 0.00 0.00 0.00 0.00 57.70 58.16 2aw3 n MET 777 Cb 0.81 -1.76 0.29 0.00 0.00 0.00 0.00 33.22 32.56 2aw3 n MET 777 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2aw3 n PHE 778 N -2.08 0.24 -1.97 3.17 3.72 -0.66 -4.79 117.46 115.09 2aw3 n PHE 778 Ca 0.04 -0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 2aw3 n PHE 778 Cb 0.30 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.82 2aw3 n PHE 778 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2aw3 s SER 779 N -1.33 6.61 0.51 4.37 0.15 -1.21 -0.87 113.70 121.92 2aw3 s SER 779 Ca 0.26 2.69 0.34 0.00 0.70 0.00 0.00 55.95 59.94 2aw3 s SER 779 Cb 0.13 -2.62 1.75 0.00 -1.71 0.00 0.00 66.02 63.57 2aw3 s SER 779 CO 0.20 -0.75 2.04 0.77 1.20 0.00 0.00 173.24 176.70 2aw3 h SER 780 N 5.35 0.00 -0.51 5.45 4.64 -1.23 -1.63 113.55 125.62 2aw3 h SER 780 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2aw3 h SER 780 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2aw3 h SER 780 CO 0.80 0.00 0.29 0.44 -0.87 0.00 0.00 176.83 177.49 2aw3 h ASP 781 N 0.00 0.63 -0.77 4.97 3.32 -1.89 -0.45 116.42 122.22 2aw3 h ASP 781 Ca 0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2aw3 h ASP 781 Cb 0.14 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2aw3 h ASP 781 CO 0.00 0.52 0.42 -0.09 -1.72 0.00 0.00 179.24 178.37 2aw3 h ARG 782 N 0.68 1.08 -0.31 3.56 1.12 -1.61 -1.88 114.38 117.01 2aw3 h ARG 782 Ca 0.18 -0.13 0.05 0.00 -1.11 0.00 0.00 59.98 58.97 2aw3 h ARG 782 Cb 0.03 -0.21 -0.05 0.00 -0.01 0.00 0.00 29.97 29.73 2aw3 h ARG 782 CO -0.03 0.80 0.03 0.77 -3.11 0.00 0.00 179.97 178.43 2aw3 h SER 783 N 1.07 -0.05 -0.77 -3.80 0.02 -1.34 0.13 113.55 108.81 2aw3 h SER 783 Ca 0.27 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2aw3 h SER 783 Cb 0.04 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2aw3 h SER 783 CO -0.04 0.01 0.38 0.40 -1.14 0.00 0.00 176.83 176.44 2aw3 h ILE 784 N 0.13 1.24 -0.41 3.27 1.08 -0.79 0.11 117.51 122.15 2aw3 h ILE 784 Ca 0.15 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2aw3 h ILE 784 Cb 0.18 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2aw3 h ILE 784 CO -0.22 0.28 0.24 0.03 -0.69 0.00 0.00 178.15 177.79 2aw3 h ARG 785 N 1.07 0.55 -0.12 2.37 -0.00 -0.78 0.27 114.38 117.75 2aw3 h ARG 785 Ca 0.26 -0.05 0.04 0.00 -0.50 0.00 0.00 59.98 59.73 2aw3 h ARG 785 Cb 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 29.97 29.91 2aw3 h ARG 785 CO -0.04 0.41 -0.12 -0.44 0.00 0.00 0.00 179.97 179.79 2aw3 h ASP 786 N 0.53 -0.38 -0.52 7.04 3.32 -0.30 -2.08 116.42 124.04 2aw3 h ASP 786 Ca 0.15 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2aw3 h ASP 786 Cb 0.01 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2aw3 h ASP 786 CO -0.03 -0.16 0.21 1.88 -1.72 0.00 0.00 179.24 179.42 2aw3 h TYR 787 N -0.15 0.83 -0.28 4.55 0.05 -0.06 -1.92 116.97 119.99 2aw3 h TYR 787 Ca 0.09 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.83 2aw3 h TYR 787 Cb 0.27 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2aw3 h TYR 787 CO -0.24 0.65 0.15 1.96 -1.05 0.00 0.00 178.16 179.63 2aw3 h GLN 788 N 0.81 0.30 0.13 4.88 4.20 -0.02 0.85 115.11 126.26 2aw3 h GLN 788 Ca 0.19 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.60 2aw3 h GLN 788 Cb 0.18 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.90 2aw3 h GLN 788 CO -0.02 0.20 -1.28 0.00 -0.67 0.00 0.00 178.83 177.06 2aw3 h ALA 789 N 1.13 0.10 0.01 3.87 0.00 -1.28 0.30 119.26 123.40 2aw3 h ALA 789 Ca 0.11 -0.91 -0.28 0.00 0.00 0.00 0.00 54.91 53.83 2aw3 h ALA 789 Cb 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2aw3 h ALA 789 CO -0.07 0.98 -1.56 0.00 0.00 0.00 0.00 179.25 178.60 2aw3 h ARG 790 N 0.08 0.03 0.00 0.00 3.08 -1.33 -3.38 114.38 112.86 2aw3 h ARG 790 Ca -0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2aw3 h ARG 790 Cb 1.99 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.06 2aw3 h ARG 790 CO 0.20 0.67 0.00 -0.89 -1.07 0.00 0.00 179.97 178.89 2aw3 n ILE 791 N -3.16 0.25 -0.09 2.04 5.41 -0.45 -4.66 119.36 118.70 2aw3 n ILE 791 Ca -0.14 0.08 -0.11 0.00 1.00 0.00 0.00 62.75 63.58 2aw3 n ILE 791 Cb 1.03 -0.66 -0.03 0.00 -0.71 0.00 0.00 39.64 39.26 2aw3 n ILE 791 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2aw3 h TRP 792 N 0.00 0.48 -0.26 1.39 6.55 -0.93 -2.94 115.95 120.24 2aw3 h TRP 792 Ca 0.00 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.78 2aw3 h TRP 792 Cb 0.00 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.17 2aw3 h TRP 792 CO 0.00 0.55 0.00 1.04 -1.05 0.00 0.00 178.44 178.98 2aw3 n GLN 793 N -4.67 2.22 -0.79 0.49 1.13 0.11 -4.67 117.38 111.20 2aw3 n GLN 793 Ca -0.03 -2.04 -0.30 0.00 -1.94 0.00 0.00 57.00 52.69 2aw3 n GLN 793 Cb 0.20 -1.44 0.18 0.00 0.11 0.00 0.00 30.24 29.29 2aw3 n GLN 793 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aw3 s ALA 794 N -1.46 0.98 0.23 -1.58 0.00 -1.11 -4.96 121.76 113.86 2aw3 s ALA 794 Ca 0.32 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 2aw3 s ALA 794 Cb 0.19 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 2aw3 s ALA 794 CO 0.27 -2.93 0.83 0.21 0.00 0.00 0.00 175.76 174.15 2aw3 s LYS 795 N -4.66 4.55 0.00 0.00 2.47 -1.26 -5.00 119.74 115.83 2aw3 s LYS 795 Ca 0.66 1.19 0.23 0.00 -1.56 0.00 0.00 55.97 56.49 2aw3 s LYS 795 Cb -0.22 -3.06 0.18 0.00 -1.46 0.00 0.00 37.83 33.27 2aw3 s LYS 795 CO 0.60 0.45 1.23 0.54 0.16 0.00 0.00 175.35 178.33