#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5w h LYS 19 N 0.00 0.00 -0.08 2.61 3.64 -2.01 -1.99 116.57 118.75 1h5w h LYS 19 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1h5w h LYS 19 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1h5w h LYS 19 CO 0.00 0.61 -0.90 -0.09 -2.27 0.00 0.00 179.45 176.80 1h5w h ARG 20 N 0.00 0.72 -0.68 1.90 2.43 -1.99 -2.73 114.38 114.03 1h5w h ARG 20 Ca -0.01 -0.67 -0.02 0.00 -0.81 0.00 0.00 59.98 58.48 1h5w h ARG 20 Cb 1.38 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 1h5w h ARG 20 CO 0.08 1.27 0.36 -0.91 -1.51 0.00 0.00 179.97 179.26 1h5w h ASN 21 N 0.45 0.86 -0.43 -3.80 2.35 -1.91 0.40 115.58 113.50 1h5w h ASN 21 Ca -0.09 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1h5w h ASN 21 Cb 1.54 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.66 1h5w h ASN 21 CO 0.18 0.72 0.23 -0.09 -1.65 0.00 0.00 177.43 176.82 1h5w h ARG 22 N 0.93 0.45 -0.02 0.81 9.65 -1.34 -0.74 114.38 124.13 1h5w h ARG 22 Ca 0.24 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.94 1h5w h ARG 22 Cb 0.06 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1h5w h ARG 22 CO -0.04 0.30 -0.67 -1.49 2.80 0.00 0.00 179.97 180.87 1h5w h TRP 23 N 0.47 0.11 -0.13 2.20 4.06 -1.13 -2.22 115.95 119.31 1h5w h TRP 23 Ca 0.18 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.08 1h5w h TRP 23 Cb 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1h5w h TRP 23 CO -0.09 0.73 0.08 0.35 -3.56 0.00 0.00 178.44 175.95 1h5w h PHE 24 N 0.06 0.16 -0.59 0.49 3.57 0.44 -0.37 116.94 120.69 1h5w h PHE 24 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1h5w h PHE 24 Cb 1.19 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1h5w h PHE 24 CO 0.01 0.12 0.24 0.82 -2.23 0.00 0.00 178.31 177.27 1h5w h ILE 25 N 0.16 1.21 0.32 1.41 2.04 -1.05 -0.30 117.51 121.29 1h5w h ILE 25 Ca 0.05 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1h5w h ILE 25 Cb -0.00 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1h5w h ILE 25 CO -0.01 0.26 -0.15 -0.74 0.00 0.00 0.00 178.15 177.51 1h5w h HIS 26 N 0.85 -0.39 -0.57 1.37 2.76 -0.98 -1.77 115.15 116.43 1h5w h HIS 26 Ca 0.20 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1h5w h HIS 26 Cb 0.16 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1h5w h HIS 26 CO 0.01 -0.16 0.06 1.88 -1.30 0.00 0.00 177.93 178.42 1h5w h TYR 27 N -0.56 0.99 -0.23 5.26 0.99 -0.86 -0.57 116.97 121.98 1h5w h TYR 27 Ca -0.04 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.53 1h5w h TYR 27 Cb 0.41 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 1h5w h TYR 27 CO -0.02 0.86 0.06 1.25 -0.00 0.00 0.00 178.16 180.31 1h5w h LEU 28 N 0.87 0.36 -0.78 3.88 7.12 -1.04 0.23 115.31 125.95 1h5w h LEU 28 Ca 0.17 -0.23 -0.13 0.00 0.13 0.00 0.00 57.88 57.82 1h5w h LEU 28 Cb 0.44 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1h5w h LEU 28 CO 0.02 0.49 -0.48 0.78 -0.13 0.00 0.00 178.44 179.12 1h5w h ASN 29 N 0.20 0.34 0.01 1.25 2.35 -1.25 -0.21 115.58 118.27 1h5w h ASN 29 Ca 0.07 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1h5w h ASN 29 Cb 0.28 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1h5w h ASN 29 CO 0.00 0.77 -0.01 0.22 -1.65 0.00 0.00 177.43 176.76 1h5w h TYR 30 N 0.25 -0.02 -0.49 1.19 3.20 -0.89 -1.26 116.97 118.95 1h5w h TYR 30 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1h5w h TYR 30 Cb 0.94 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1h5w h TYR 30 CO 0.02 0.26 0.20 -0.07 -1.64 0.00 0.00 178.16 176.92 1h5w h LEU 31 N -0.29 0.63 -0.45 2.82 3.38 -0.39 -2.23 115.31 118.77 1h5w h LEU 31 Ca -0.00 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1h5w h LEU 31 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1h5w h LEU 31 CO 0.00 0.57 -0.07 1.56 0.09 0.00 0.00 178.44 180.59 1h5w h GLN 32 N 0.69 0.85 -0.70 1.13 4.20 -0.87 -0.78 115.11 119.64 1h5w h GLN 32 Ca 0.17 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1h5w h GLN 32 Cb 0.14 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1h5w h GLN 32 CO -0.02 0.94 0.32 0.66 -0.67 0.00 0.00 178.83 180.07 1h5w h SER 33 N 0.69 0.91 -0.18 1.46 4.64 -0.79 0.10 113.55 120.38 1h5w h SER 33 Ca 0.12 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1h5w h SER 33 Cb 0.60 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1h5w h SER 33 CO 0.04 0.78 -0.25 -0.07 -0.87 0.00 0.00 176.83 176.46 1h5w h LEU 34 N 1.00 0.54 -0.16 5.97 3.38 -1.25 -3.00 115.31 121.78 1h5w h LEU 34 Ca 0.24 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1h5w h LEU 34 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1h5w h LEU 34 CO -0.03 0.94 0.04 0.00 0.09 0.00 0.00 178.44 179.48 1h5w h ALA 35 N 0.61 0.20 -0.14 1.53 0.00 -0.92 -2.73 119.26 117.81 1h5w h ALA 35 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1h5w h ALA 35 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1h5w h ALA 35 CO 0.06 -0.15 0.13 1.88 0.00 0.00 0.00 179.25 181.16 1h5w h TYR 36 N 0.05 0.00 -0.01 0.00 0.05 -1.04 -1.44 116.97 114.58 1h5w h TYR 36 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1h5w h TYR 36 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1h5w h TYR 36 CO 0.01 0.00 -0.21 0.94 -1.05 0.00 0.00 178.16 177.85 1h5w n GLN 37 N -4.09 1.23 -0.15 4.88 0.00 -1.11 -4.51 117.38 113.63 1h5w n GLN 37 Ca 0.00 -0.82 -0.03 0.00 -0.00 0.00 0.00 57.00 56.15 1h5w n GLN 37 Cb 0.25 -1.48 0.04 0.00 0.00 0.00 0.00 30.24 29.04 1h5w n GLN 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1h5w h LEU 38 N 2.00 -0.32 -9.45 1.69 3.38 -0.95 -3.41 115.31 108.25 1h5w h LEU 38 Ca 0.00 0.13 -0.66 0.00 0.09 0.00 0.00 57.88 57.43 1h5w h LEU 38 Cb 0.59 0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 1h5w h LEU 38 CO 0.00 -0.11 -0.60 -0.36 0.09 0.00 0.00 178.44 177.45 1h5w s PHE 39 N -6.20 3.20 -0.13 1.13 0.40 -1.26 0.17 117.98 115.29 1h5w s PHE 39 Ca -0.14 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1h5w s PHE 39 Cb 0.16 -1.73 -0.00 0.00 0.51 0.00 0.00 43.02 41.96 1h5w s PHE 39 CO 0.72 0.51 -0.18 -2.00 0.70 0.00 0.00 175.22 174.97 1h5w s GLU 40 N -1.50 3.17 -0.04 0.44 2.12 0.24 -4.73 118.70 118.40 1h5w s GLU 40 Ca 0.20 -0.79 -0.03 0.00 0.36 0.00 0.00 54.97 54.71 1h5w s GLU 40 Cb -0.12 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 1h5w s GLU 40 CO 0.10 0.09 0.13 -1.58 -0.54 0.00 0.00 175.26 173.45 1h5w s TRP 41 N 0.61 3.45 0.11 5.30 0.52 -1.26 -2.17 118.94 125.51 1h5w s TRP 41 Ca -0.10 0.34 0.07 0.00 0.02 0.00 0.00 56.10 56.43 1h5w s TRP 41 Cb -0.16 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1h5w s TRP 41 CO 0.03 0.63 -0.16 -1.21 0.02 0.00 0.00 176.95 176.25 1h5w s GLU 42 N -1.55 1.04 -1.54 4.98 2.02 0.13 -4.80 118.70 118.98 1h5w s GLU 42 Ca 0.22 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1h5w s GLU 42 Cb -0.12 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.03 1h5w s GLU 42 CO 0.12 0.23 0.00 0.09 0.02 0.00 0.00 175.26 175.72 1h5w n ASN 43 N 0.82 -5.04 -4.79 -0.19 3.02 -1.26 -1.81 115.26 106.00 1h5w n ASN 43 Ca -0.18 0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 54.09 1h5w n ASN 43 Cb 0.55 -4.12 -0.07 0.00 -0.61 0.00 0.00 39.78 35.54 1h5w n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h5w s LEU 44 N -4.71 4.26 0.54 3.41 1.43 -1.26 -4.24 118.68 118.11 1h5w s LEU 44 Ca 0.00 1.78 -0.20 0.00 -1.03 0.00 0.00 54.13 54.68 1h5w s LEU 44 Cb 0.00 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.05 1h5w s LEU 44 CO 0.00 -0.12 0.91 -2.65 0.23 0.00 0.00 176.35 174.72 1h5w n PRO 45 N 0.33 1.00 0.28 1.29 -0.02 -1.26 -4.83 135.00 131.79 1h5w n PRO 45 Ca 0.03 0.37 0.19 0.00 -2.02 0.00 0.00 63.50 62.07 1h5w n PRO 45 Cb 0.51 -2.06 0.97 0.00 -0.02 0.00 0.00 33.50 32.90 1h5w n PRO 45 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h5w h PRO 46 N 0.81 0.00 -0.05 0.52 0.13 -1.96 -2.16 132.00 129.30 1h5w h PRO 46 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1h5w h PRO 46 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1h5w h PRO 46 CO 0.52 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.54 1h5w n THR 47 N -2.83 0.06 -3.98 1.56 -2.24 -1.26 -4.76 114.28 100.83 1h5w n THR 47 Ca -0.02 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 1h5w n THR 47 Cb 0.10 -0.04 -0.12 0.00 -2.10 0.00 0.00 70.33 68.17 1h5w n THR 47 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h5w s ILE 48 N -1.94 4.31 -0.45 2.28 -1.09 -0.81 -4.71 121.20 118.79 1h5w s ILE 48 Ca 0.34 -0.19 -0.25 0.00 -2.23 0.00 0.00 60.65 58.32 1h5w s ILE 48 Cb 0.17 -2.96 0.02 0.00 -1.58 0.00 0.00 42.46 38.11 1h5w s ILE 48 CO 0.27 0.41 0.91 0.21 -1.23 0.00 0.00 174.94 175.52 1h5w s ASN 49 N 0.98 6.52 0.24 3.58 3.84 -1.26 -4.90 114.94 123.94 1h5w s ASN 49 Ca 0.03 0.17 -0.05 0.00 0.21 0.00 0.00 52.86 53.23 1h5w s ASN 49 Cb -0.14 -2.45 0.42 0.00 -0.55 0.00 0.00 41.25 38.53 1h5w s ASN 49 CO 0.02 -1.01 1.77 -0.65 -2.79 0.00 0.00 177.10 174.45 1h5w h PRO 50 N 8.98 0.59 -0.24 0.43 0.11 -1.97 -0.26 132.00 139.64 1h5w h PRO 50 Ca -0.24 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1h5w h PRO 50 Cb 1.08 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1h5w h PRO 50 CO 1.01 0.39 -0.01 0.77 -0.21 0.00 0.00 178.00 179.96 1h5w h SER 51 N 0.61 0.42 -0.78 -2.05 0.02 -1.96 -2.04 113.55 107.77 1h5w h SER 51 Ca 0.40 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1h5w h SER 51 Cb 0.48 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1h5w h SER 51 CO -0.31 0.64 0.51 0.15 -1.14 0.00 0.00 176.83 176.68 1h5w h PHE 52 N 0.19 0.94 0.22 3.45 3.57 -1.88 0.18 116.94 123.62 1h5w h PHE 52 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1h5w h PHE 52 Cb 0.43 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1h5w h PHE 52 CO 0.04 0.56 -0.10 1.25 -2.23 0.00 0.00 178.31 177.83 1h5w h LEU 53 N 0.99 -0.25 -0.30 0.59 5.85 -0.78 -1.80 115.31 119.61 1h5w h LEU 53 Ca 0.30 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 1h5w h LEU 53 Cb -0.01 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1h5w h LEU 53 CO -0.08 -0.13 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.40 1h5w h GLU 54 N -0.34 0.64 -0.84 1.25 4.39 -1.07 -2.51 114.58 116.10 1h5w h GLU 54 Ca -0.03 -0.29 0.06 0.00 0.34 0.00 0.00 59.36 59.44 1h5w h GLU 54 Cb 0.26 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 1h5w h GLU 54 CO 0.05 0.88 0.52 0.87 -1.16 0.00 0.00 179.01 180.16 1h5w h LYS 55 N 0.39 0.92 -0.16 2.33 1.57 -0.96 -1.56 116.57 119.09 1h5w h LYS 55 Ca 0.06 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1h5w h LYS 55 Cb 0.70 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1h5w h LYS 55 CO 0.05 0.61 0.04 0.77 -0.57 0.00 0.00 179.45 180.34 1h5w h SER 56 N 0.94 0.25 -0.79 0.86 0.02 -1.26 0.18 113.55 113.75 1h5w h SER 56 Ca 0.37 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1h5w h SER 56 Cb 0.18 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 1h5w h SER 56 CO -0.17 0.42 0.48 0.40 -1.14 0.00 0.00 176.83 176.81 1h5w h ILE 57 N 0.07 1.02 -0.17 3.27 2.04 -1.08 0.40 117.51 123.06 1h5w h ILE 57 Ca 0.05 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 1h5w h ILE 57 Cb 0.27 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1h5w h ILE 57 CO 0.00 0.16 -0.45 0.45 0.00 0.00 0.00 178.15 178.31 1h5w h HIS 58 N 0.87 0.78 0.00 1.37 3.86 -1.17 0.38 115.15 121.23 1h5w h HIS 58 Ca 0.35 -0.30 -0.14 0.00 -1.16 0.00 0.00 60.37 59.12 1h5w h HIS 58 Cb 0.17 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1h5w h HIS 58 CO -0.05 1.07 -0.65 1.96 0.86 0.00 0.00 177.93 181.12 1h5w h GLN 59 N 0.26 0.00 0.00 2.45 4.20 -0.28 0.55 115.11 122.30 1h5w h GLN 59 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1h5w h GLN 59 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1h5w h GLN 59 CO 0.10 0.65 -0.84 1.19 -0.67 0.00 0.00 178.83 179.26 1h5w n PHE 60 N -3.43 0.00 0.00 2.96 3.01 0.14 -4.81 117.46 115.33 1h5w n PHE 60 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1h5w n PHE 60 Cb 0.73 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 1h5w n PHE 60 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h5w n GLY 61 N 1.73 0.55 3.61 1.37 0.00 0.12 -4.48 105.19 108.09 1h5w n GLY 61 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1h5w n GLY 61 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h5w s TYR 62 N -2.15 -0.05 -0.05 1.61 1.13 -1.18 -0.95 117.35 115.70 1h5w s TYR 62 Ca 0.00 -0.03 -0.18 0.00 -1.41 0.00 0.00 57.07 55.45 1h5w s TYR 62 Cb 0.00 0.54 0.04 0.00 -1.10 0.00 0.00 41.96 41.43 1h5w s TYR 62 CO 0.00 -0.24 0.40 0.54 -2.51 0.00 0.00 175.55 173.74 1h5w s VAL 63 N -2.38 0.04 0.10 -3.49 0.11 -0.39 -4.23 120.40 110.16 1h5w s VAL 63 Ca 0.13 -0.29 -0.19 0.00 -2.93 0.00 0.00 61.98 58.70 1h5w s VAL 63 Cb 0.04 -0.68 -0.07 0.00 -1.53 0.00 0.00 36.38 34.14 1h5w s VAL 63 CO -0.04 -0.16 0.60 -0.83 -3.33 0.00 0.00 175.10 171.34 1h5w s GLY 64 N -0.97 2.67 -0.21 6.54 0.00 0.21 -0.69 107.32 114.87 1h5w s GLY 64 Ca -0.10 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.69 1h5w s GLY 64 CO 0.04 0.48 -0.14 -0.12 0.00 0.00 0.00 173.10 173.36 1h5w s PHE 65 N -1.18 2.83 -0.01 1.90 5.36 0.12 -1.15 117.98 125.86 1h5w s PHE 65 Ca 0.31 -1.86 0.01 0.00 -0.96 0.00 0.00 56.93 54.43 1h5w s PHE 65 Cb -0.19 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1h5w s PHE 65 CO 0.20 -0.81 -0.02 -0.47 -1.46 0.00 0.00 175.22 172.66 1h5w s TYR 66 N 1.26 0.23 -0.76 10.12 5.04 -0.65 -0.93 117.35 131.66 1h5w s TYR 66 Ca -0.02 -0.03 -0.21 0.00 -2.44 0.00 0.00 57.07 54.38 1h5w s TYR 66 Cb -0.16 -0.19 0.10 0.00 0.35 0.00 0.00 41.96 42.05 1h5w s TYR 66 CO -0.09 -0.03 1.00 0.21 -1.34 0.00 0.00 175.55 175.31 1h5w s LYS 67 N 0.18 3.30 0.09 4.97 2.20 -1.26 -0.67 119.74 128.55 1h5w s LYS 67 Ca -0.01 -1.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.04 1h5w s LYS 67 Cb -0.04 -4.51 -0.06 0.00 -1.51 0.00 0.00 37.83 31.71 1h5w s LYS 67 CO -0.00 -1.77 1.19 0.34 -0.36 0.00 0.00 175.35 174.74 1h5w s ASP 68 N 3.67 7.10 0.39 1.43 -1.08 -0.40 -4.86 116.67 122.92 1h5w s ASP 68 Ca 0.25 2.05 0.14 0.00 -0.52 0.00 0.00 52.55 54.47 1h5w s ASP 68 Cb -0.13 -2.58 0.97 0.00 -1.46 0.00 0.00 42.92 39.72 1h5w s ASP 68 CO 0.02 -0.43 1.85 -0.65 0.52 0.00 0.00 175.17 176.48 1h5w h PRO 69 N 6.41 0.51 0.00 4.34 0.11 -1.95 -0.03 132.00 141.40 1h5w h PRO 69 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h5w h PRO 69 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1h5w h PRO 69 CO 0.79 0.34 -0.18 0.28 -0.21 0.00 0.00 178.00 179.02 1h5w n VAL 70 N -4.56 0.36 1.20 3.15 0.31 -1.26 -4.62 118.33 112.91 1h5w n VAL 70 Ca 0.19 0.42 0.01 0.00 -0.01 0.00 0.00 64.34 64.96 1h5w n VAL 70 Cb 0.62 -1.72 0.06 0.00 -0.91 0.00 0.00 33.84 31.89 1h5w n VAL 70 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1h5w n ILE 71 N -2.90 0.28 -4.86 2.52 -5.35 -1.25 -5.03 119.36 102.77 1h5w n ILE 71 Ca -0.03 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1h5w n ILE 71 Cb 0.09 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1h5w n ILE 71 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1h5w n SER 72 N -0.04 -3.06 -4.68 7.28 2.88 -0.02 -4.77 113.62 111.20 1h5w n SER 72 Ca 0.04 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.13 1h5w n SER 72 Cb 0.24 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 1h5w n SER 72 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1h5w n TYR 73 N -0.32 2.26 -3.79 0.66 4.02 -1.26 -1.28 117.16 117.44 1h5w n TYR 73 Ca 0.00 0.37 -0.13 0.00 -0.01 0.00 0.00 57.90 58.14 1h5w n TYR 73 Cb 0.00 -2.49 -0.10 0.00 -0.02 0.00 0.00 39.34 36.72 1h5w n TYR 73 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1h5w s ILE 74 N 0.19 0.04 -0.18 -0.72 2.07 0.15 -4.42 121.20 118.32 1h5w s ILE 74 Ca 0.70 -0.29 -0.08 0.00 -1.41 0.00 0.00 60.65 59.57 1h5w s ILE 74 Cb -0.64 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 1h5w s ILE 74 CO 0.47 -0.16 0.08 0.00 -1.91 0.00 0.00 174.94 173.42 1h5w s ALA 75 N -0.63 3.51 0.00 1.50 0.00 -1.26 -1.63 121.76 123.24 1h5w s ALA 75 Ca -0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 1h5w s ALA 75 Cb -0.04 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1h5w s ALA 75 CO 0.02 0.20 0.06 0.00 0.00 0.00 0.00 175.76 176.03 1h5w s ASN 77 N -1.01 6.44 0.00 0.00 0.01 -1.26 -0.62 114.94 118.49 1h5w s ASN 77 Ca -0.11 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.58 1h5w s ASN 77 Cb -0.07 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.52 1h5w s ASN 77 CO 0.00 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 1h5w n GLY 78 N -0.47 -0.58 3.69 0.66 0.00 -1.26 -2.21 105.19 105.03 1h5w n GLY 78 Ca -0.03 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1h5w n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5w s ALA 79 N -1.00 3.31 -0.40 4.61 0.00 0.41 -4.89 121.76 123.80 1h5w s ALA 79 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 1h5w s ALA 79 Cb 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1h5w s ALA 79 CO 0.00 0.70 0.49 -0.51 0.00 0.00 0.00 175.76 176.44 1h5w s LEU 80 N -2.22 4.63 0.00 0.00 1.43 -1.26 -0.23 118.68 121.03 1h5w s LEU 80 Ca 0.25 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1h5w s LEU 80 Cb -0.12 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1h5w s LEU 80 CO 0.18 -0.58 0.00 -1.54 0.23 0.00 0.00 176.35 174.64 1h5w n SER 81 N 5.75 0.00 0.00 2.29 3.41 0.41 -5.01 113.62 120.48 1h5w n SER 81 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1h5w n SER 81 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1h5w n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h5w n GLY 82 N 1.55 1.93 0.00 5.00 0.00 -1.26 -2.47 105.19 109.94 1h5w n GLY 82 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1h5w n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5w n GLN 83 N 9.19 1.67 -3.58 1.61 10.64 -1.26 -4.98 117.38 130.66 1h5w n GLN 83 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1h5w n GLN 83 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1h5w n GLN 83 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1h5w s ARG 84 N 4.58 0.50 0.48 2.61 1.81 -1.26 -4.31 118.95 123.36 1h5w s ARG 84 Ca 0.00 1.19 -0.08 0.00 -1.72 0.00 0.00 55.73 55.12 1h5w s ARG 84 Cb 0.00 0.65 0.12 0.00 -0.45 0.00 0.00 34.95 35.27 1h5w s ARG 84 CO 0.00 -0.16 0.44 -0.40 -0.68 0.00 0.00 175.30 174.50 1h5w n ASP 85 N 5.12 -1.37 0.07 0.23 3.85 -1.03 -4.77 116.55 118.65 1h5w n ASP 85 Ca -0.12 -0.78 0.07 0.00 -0.71 0.00 0.00 54.79 53.25 1h5w n ASP 85 Cb 0.51 -0.40 0.33 0.00 -1.35 0.00 0.00 41.12 40.22 1h5w n ASP 85 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1h5w n VAL 86 N -3.41 1.29 -1.20 2.12 0.24 -1.26 -1.48 118.33 114.63 1h5w n VAL 86 Ca 0.06 0.46 0.03 0.00 -2.04 0.00 0.00 64.34 62.85 1h5w n VAL 86 Cb 0.23 -1.40 0.22 0.00 -1.47 0.00 0.00 33.84 31.43 1h5w n VAL 86 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1h5w n TYR 87 N -1.87 0.96 -1.70 6.34 0.53 -1.26 -4.94 117.16 115.22 1h5w n TYR 87 Ca 0.01 -1.21 -0.17 0.00 -1.02 0.00 0.00 57.90 55.51 1h5w n TYR 87 Cb 0.09 -0.39 -0.06 0.00 -1.03 0.00 0.00 39.34 37.96 1h5w n TYR 87 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1h5w n ASN 88 N -0.86 -4.56 -4.85 7.72 4.05 -0.55 -4.95 115.26 111.26 1h5w n ASN 88 Ca 0.27 0.34 -0.32 0.00 0.45 0.00 0.00 54.58 55.32 1h5w n ASN 88 Cb 0.95 -4.05 -0.03 0.00 1.23 0.00 0.00 39.78 37.87 1h5w n ASN 88 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1h5w s GLN 89 N -3.79 3.90 0.37 1.20 -0.21 -1.26 -4.79 119.66 115.07 1h5w s GLN 89 Ca 0.00 0.84 -0.25 0.00 0.02 0.00 0.00 55.36 55.97 1h5w s GLN 89 Cb 0.00 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.73 1h5w s GLN 89 CO 0.00 -0.24 1.03 0.00 -2.12 0.00 0.00 175.29 173.96 1h5w s ALA 90 N -2.60 3.15 -0.18 6.09 0.00 -1.26 -2.46 121.76 124.49 1h5w s ALA 90 Ca 0.57 0.67 0.08 0.00 0.00 0.00 0.00 51.96 53.28 1h5w s ALA 90 Cb -0.10 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 1h5w s ALA 90 CO 0.32 -0.10 0.25 0.25 0.00 0.00 0.00 175.76 176.48 1h5w n THR 91 N 0.19 0.00 -4.09 0.00 -2.24 -1.20 -4.82 114.28 102.12 1h5w n THR 91 Ca 0.04 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1h5w n THR 91 Cb 0.49 0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 69.24 1h5w n THR 91 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1h5w s VAL 92 N -2.16 0.40 -0.10 2.28 1.01 -1.03 -0.32 120.40 120.48 1h5w s VAL 92 Ca -0.00 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1h5w s VAL 92 Cb 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1h5w s VAL 92 CO 0.32 -0.09 -0.19 0.12 0.00 0.00 0.00 175.10 175.26 1h5w s PHE 93 N -0.59 2.64 -0.32 5.22 5.36 -0.56 -0.44 117.98 129.29 1h5w s PHE 93 Ca -0.03 -0.74 -0.00 0.00 -0.96 0.00 0.00 56.93 55.20 1h5w s PHE 93 Cb -0.05 -1.73 0.07 0.00 -0.34 0.00 0.00 43.02 40.98 1h5w s PHE 93 CO -0.00 -0.24 0.03 1.03 -1.46 0.00 0.00 175.22 174.58 1h5w s ARG 94 N 0.12 2.16 -0.18 10.12 0.52 0.68 -2.19 118.95 130.18 1h5w s ARG 94 Ca -0.10 -1.49 -0.29 0.00 -0.52 0.00 0.00 55.73 53.34 1h5w s ARG 94 Cb -0.16 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 1h5w s ARG 94 CO 0.06 -0.75 1.55 0.00 0.02 0.00 0.00 175.30 176.18 1h5w s ALA 95 N 1.15 3.41 -0.50 2.13 0.00 0.89 -0.45 121.76 128.39 1h5w s ALA 95 Ca -0.01 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1h5w s ALA 95 Cb -0.20 -3.79 0.13 0.00 0.00 0.00 0.00 23.12 19.26 1h5w s ALA 95 CO -0.04 -1.71 0.30 0.00 0.00 0.00 0.00 175.76 174.32 1h5w s ALA 96 N 4.65 3.33 -0.12 0.00 0.00 -0.94 -3.01 121.76 125.68 1h5w s ALA 96 Ca 0.68 -2.84 -0.14 0.00 0.00 0.00 0.00 51.96 49.66 1h5w s ALA 96 Cb -0.26 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1h5w s ALA 96 CO 0.27 -1.93 0.39 -1.12 0.00 0.00 0.00 175.76 173.36 1h5w s SER 97 N 1.34 -0.38 0.51 0.00 0.01 0.28 -4.72 113.70 110.74 1h5w s SER 97 Ca 0.12 0.68 0.19 0.00 1.31 0.00 0.00 55.95 58.25 1h5w s SER 97 Cb -0.22 0.72 1.31 0.00 0.21 0.00 0.00 66.02 68.05 1h5w s SER 97 CO -0.04 -0.19 2.12 -0.65 0.41 0.00 0.00 173.24 174.89 1h5w h PRO 98 N 5.22 0.00 0.00 12.44 0.11 -2.01 -2.27 132.00 145.49 1h5w h PRO 98 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1h5w h PRO 98 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1h5w h PRO 98 CO 0.28 0.06 -1.58 0.28 -0.21 0.00 0.00 178.00 176.84 1h5w n VAL 99 N -4.28 0.07 -3.78 3.15 0.31 -1.26 -4.95 118.33 107.58 1h5w n VAL 99 Ca -0.03 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 1h5w n VAL 99 Cb 0.14 0.22 -0.12 0.00 -0.91 0.00 0.00 33.84 33.18 1h5w n VAL 99 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1h5w s TYR 100 N -3.35 -0.28 -0.25 3.52 5.04 -0.85 -5.15 117.35 116.03 1h5w s TYR 100 Ca -0.02 0.69 -0.10 0.00 -2.44 0.00 0.00 57.07 55.20 1h5w s TYR 100 Cb 0.14 0.09 0.10 0.00 0.35 0.00 0.00 41.96 42.65 1h5w s TYR 100 CO 0.88 -0.14 0.55 1.14 -1.34 0.00 0.00 175.55 176.64 1h5w s GLN 101 N 0.18 0.49 -0.06 4.97 1.03 -1.26 -0.56 119.66 124.46 1h5w s GLN 101 Ca -0.00 1.22 -0.29 0.00 0.04 0.00 0.00 55.36 56.32 1h5w s GLN 101 Cb -0.02 0.50 0.11 0.00 0.03 0.00 0.00 33.01 33.63 1h5w s GLN 101 CO -0.00 -0.21 0.92 0.21 -2.54 0.00 0.00 175.29 173.67 1h5w s LYS 102 N 2.49 0.75 -0.03 9.60 2.20 -1.16 -4.96 119.74 128.63 1h5w s LYS 102 Ca -0.05 -0.14 0.08 0.00 -0.36 0.00 0.00 55.97 55.49 1h5w s LYS 102 Cb -0.11 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1h5w s LYS 102 CO -0.16 -0.30 -0.26 -1.21 -0.36 0.00 0.00 175.35 173.06 1h5w s GLU 103 N -2.42 2.20 -0.04 4.03 2.02 -1.26 -0.08 118.70 123.15 1h5w s GLU 103 Ca 0.02 -0.92 -0.20 0.00 0.02 0.00 0.00 54.97 53.90 1h5w s GLU 103 Cb -0.01 -2.07 0.04 0.00 0.10 0.00 0.00 34.13 32.19 1h5w s GLU 103 CO -0.05 0.53 0.43 -0.59 0.02 0.00 0.00 175.26 175.60 1h5w s PHE 104 N -0.53 -0.34 0.50 1.61 -0.12 -0.93 -5.00 117.98 113.17 1h5w s PHE 104 Ca 0.08 0.59 -0.21 0.00 -0.05 0.00 0.00 56.93 57.33 1h5w s PHE 104 Cb -0.11 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.41 1h5w s PHE 104 CO -0.00 -0.44 1.18 0.15 -0.05 0.00 0.00 175.22 176.05 1h5w s LYS 105 N -1.17 3.52 -0.12 1.99 1.02 -1.26 -1.49 119.74 122.23 1h5w s LYS 105 Ca -0.12 1.77 -0.10 0.00 0.02 0.00 0.00 55.97 57.55 1h5w s LYS 105 Cb -0.04 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.99 1h5w s LYS 105 CO 0.06 -0.75 0.20 -0.51 -0.92 0.00 0.00 175.35 173.43 1h5w s LEU 106 N -3.39 4.36 -0.25 3.17 1.43 0.57 -0.66 118.68 123.91 1h5w s LEU 106 Ca 0.68 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.16 1h5w s LEU 106 Cb -0.28 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1h5w s LEU 106 CO 0.33 0.32 0.34 -0.47 0.23 0.00 0.00 176.35 177.10 1h5w s TYR 107 N -0.62 3.29 0.00 0.29 5.04 0.84 -4.89 117.35 121.30 1h5w s TYR 107 Ca 0.15 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1h5w s TYR 107 Cb -0.13 -2.50 0.00 0.00 0.35 0.00 0.00 41.96 39.68 1h5w s TYR 107 CO 0.05 -0.12 0.49 0.27 -1.34 0.00 0.00 175.55 174.90 1h5w n ASN 108 N 4.92 0.00 -3.49 4.32 2.04 -1.26 -4.77 115.26 117.03 1h5w n ASN 108 Ca -0.10 -1.22 -0.11 0.00 -0.44 0.00 0.00 54.58 52.71 1h5w n ASN 108 Cb 0.51 -0.04 -0.10 0.00 -2.53 0.00 0.00 39.78 37.62 1h5w n ASN 108 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 1h5w s TYR 109 N 0.00 -0.67 0.12 -2.53 2.02 -1.26 -5.06 117.35 109.96 1h5w s TYR 109 Ca 0.00 0.91 -0.14 0.00 -0.37 0.00 0.00 57.07 57.47 1h5w s TYR 109 Cb 0.00 0.01 0.06 0.00 -0.40 0.00 0.00 41.96 41.64 1h5w s TYR 109 CO 0.00 -0.59 0.91 -2.13 -1.57 0.00 0.00 175.55 172.17 1h5w n ARG 110 N 5.36 -0.19 0.23 -0.62 0.63 -1.26 0.34 116.66 121.15 1h5w n ARG 110 Ca -0.05 0.90 0.11 0.00 -0.92 0.00 0.00 57.85 57.88 1h5w n ARG 110 Cb 0.50 -1.33 0.52 0.00 0.45 0.00 0.00 32.46 32.59 1h5w n ARG 110 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1h5w h ASP 111 N 0.00 0.00 -2.01 6.15 3.45 -2.05 -3.32 116.42 118.63 1h5w h ASP 111 Ca 0.16 0.00 -0.79 0.00 0.43 0.00 0.00 57.03 56.83 1h5w h ASP 111 Cb 0.30 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 38.85 1h5w h ASP 111 CO -0.57 0.20 1.42 0.23 -1.57 0.00 0.00 179.24 178.96 1h5w n MET 112 N -3.42 4.94 -3.73 3.56 2.81 0.15 -4.97 117.12 116.46 1h5w n MET 112 Ca -0.00 -4.26 -0.36 0.00 -1.81 0.00 0.00 57.70 51.27 1h5w n MET 112 Cb 0.39 -2.55 -0.10 0.00 -0.71 0.00 0.00 33.22 30.25 1h5w n MET 112 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1h5w s LYS 113 N -2.92 3.97 0.20 0.03 2.20 -1.25 -4.67 119.74 117.31 1h5w s LYS 113 Ca 0.42 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1h5w s LYS 113 Cb 0.16 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1h5w s LYS 113 CO -0.07 0.03 -0.02 -1.21 -0.36 0.00 0.00 175.35 173.72 1h5w s GLU 114 N 1.12 1.24 0.47 4.03 2.02 -1.26 -5.14 118.70 121.18 1h5w s GLU 114 Ca 0.06 -1.60 -0.21 0.00 0.02 0.00 0.00 54.97 53.24 1h5w s GLU 114 Cb -0.14 -0.54 -0.09 0.00 0.10 0.00 0.00 34.13 33.47 1h5w s GLU 114 CO 0.05 -0.07 1.04 -1.21 0.02 0.00 0.00 175.26 175.08 1h5w s GLU 115 N -3.85 3.86 -1.07 1.61 2.02 -1.26 -3.88 118.70 116.12 1h5w s GLU 115 Ca 0.25 1.37 -0.02 0.00 0.02 0.00 0.00 54.97 56.60 1h5w s GLU 115 Cb 0.05 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1h5w s GLU 115 CO 0.06 -0.39 0.29 -3.47 0.02 0.00 0.00 175.26 171.78 1h5w n ASP 116 N -0.85 -4.47 -4.57 -0.19 2.03 -1.26 -4.99 116.55 102.25 1h5w n ASP 116 Ca 0.09 -0.14 -0.25 0.00 0.52 0.00 0.00 54.79 55.01 1h5w n ASP 116 Cb 0.52 -3.43 -0.09 0.00 -0.72 0.00 0.00 41.12 37.40 1h5w n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5w s MET 117 N -5.12 1.93 0.00 -0.67 0.23 -1.25 -3.99 119.30 110.42 1h5w s MET 117 Ca 0.14 -1.78 0.00 0.00 -1.03 0.00 0.00 55.69 53.03 1h5w s MET 117 Cb -0.06 -1.85 0.00 0.00 -1.53 0.00 0.00 34.83 31.39 1h5w s MET 117 CO 0.18 0.20 0.00 0.41 -2.03 0.00 0.00 175.02 173.78 1h5w n GLY 118 N -0.83 5.75 2.99 3.16 0.00 0.16 -4.64 105.19 111.79 1h5w n GLY 118 Ca -0.05 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1h5w n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h5w s VAL 119 N -0.49 0.36 -0.20 1.61 1.01 -0.10 -0.11 120.40 122.47 1h5w s VAL 119 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1h5w s VAL 119 Cb 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1h5w s VAL 119 CO 0.00 -0.20 0.04 -0.69 0.00 0.00 0.00 175.10 174.25 1h5w s VAL 120 N -0.85 4.41 -0.27 2.92 1.01 -1.26 0.16 120.40 126.53 1h5w s VAL 120 Ca -0.06 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 1h5w s VAL 120 Cb -0.06 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1h5w s VAL 120 CO -0.00 0.42 0.36 -0.63 0.00 0.00 0.00 175.10 175.25 1h5w s ILE 121 N 0.86 5.18 0.04 2.22 1.01 0.14 -4.84 121.20 125.81 1h5w s ILE 121 Ca 0.03 0.55 -0.08 0.00 0.00 0.00 0.00 60.65 61.15 1h5w s ILE 121 Cb -0.14 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1h5w s ILE 121 CO 0.02 0.17 0.33 -0.31 0.00 0.00 0.00 174.94 175.15 1h5w s TYR 122 N 2.02 3.58 0.25 3.97 1.51 -1.26 -1.26 117.35 126.15 1h5w s TYR 122 Ca 0.15 0.66 0.24 0.00 -1.01 0.00 0.00 57.07 57.10 1h5w s TYR 122 Cb -0.16 -2.06 1.05 0.00 -0.11 0.00 0.00 41.96 40.68 1h5w s TYR 122 CO 0.10 0.57 1.89 -0.97 -1.11 0.00 0.00 175.55 176.03 1h5w h ASN 123 N 3.81 0.00 -5.76 2.29 -0.00 -1.26 -3.34 115.58 111.33 1h5w h ASN 123 Ca -0.49 0.00 0.32 0.00 -0.00 0.00 0.00 56.30 56.12 1h5w h ASN 123 Cb 1.19 0.00 -0.10 0.00 -0.00 0.00 0.00 38.32 39.42 1h5w h ASN 123 CO 0.67 0.22 0.83 0.54 -0.00 0.00 0.00 177.43 179.69 1h5w s ASN 124 N -6.25 -0.04 0.00 1.15 4.22 -1.26 -4.23 114.94 108.53 1h5w s ASN 124 Ca -0.01 -0.20 0.04 0.00 -2.14 0.00 0.00 52.86 50.56 1h5w s ASN 124 Cb 0.11 0.19 0.21 0.00 1.28 0.00 0.00 41.25 43.04 1h5w s ASN 124 CO 0.63 -0.36 1.01 0.47 -2.04 0.00 0.00 177.10 176.81 1h5w n ASP 125 N -0.71 0.00 -0.28 3.54 10.43 -1.26 -1.26 116.55 127.00 1h5w n ASP 125 Ca -0.04 0.29 0.05 0.00 2.57 0.00 0.00 54.79 57.66 1h5w n ASP 125 Cb 0.61 -0.34 0.01 0.00 1.84 0.00 0.00 41.12 43.25 1h5w n ASP 125 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1h5w n MET 126 N -1.34 1.67 -2.65 -1.24 2.81 -1.26 -4.99 117.12 110.12 1h5w n MET 126 Ca 0.02 -0.74 -0.21 0.00 -1.81 0.00 0.00 57.70 54.95 1h5w n MET 126 Cb 0.04 -1.11 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 1h5w n MET 126 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h5w n ALA 127 N -0.03 -0.76 -2.40 3.04 0.00 -0.39 -4.98 120.51 114.98 1h5w n ALA 127 Ca 0.05 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 1h5w n ALA 127 Cb 0.23 -2.88 -0.06 0.00 0.00 0.00 0.00 19.45 16.74 1h5w n ALA 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1h5w s PHE 128 N -3.10 3.73 0.74 0.00 2.99 -1.26 -4.45 117.98 116.64 1h5w s PHE 128 Ca 0.12 1.26 -0.12 0.00 0.00 0.00 0.00 56.93 58.19 1h5w s PHE 128 Cb -0.05 -2.61 0.04 0.00 0.00 0.00 0.00 43.02 40.40 1h5w s PHE 128 CO 0.15 0.41 1.11 -2.14 -0.00 0.00 0.00 175.22 174.75 1h5w s PRO 129 N -0.44 2.34 -0.01 0.24 0.02 -1.26 -4.46 135.00 131.42 1h5w s PRO 129 Ca 0.31 1.30 0.11 0.00 0.02 0.00 0.00 61.00 62.74 1h5w s PRO 129 Cb -0.19 -1.90 -0.23 0.00 0.02 0.00 0.00 34.50 32.20 1h5w s PRO 129 CO 0.19 -1.60 0.77 1.15 -0.33 0.00 0.00 177.00 177.18 1h5w h THR 130 N -0.75 1.01 -0.85 0.99 2.02 -0.17 -3.41 112.91 111.74 1h5w h THR 130 Ca -0.45 -2.83 0.08 0.00 0.77 0.00 0.00 66.41 63.99 1h5w h THR 130 Cb 1.24 2.51 -0.11 0.00 -1.74 0.00 0.00 68.15 70.05 1h5w h THR 130 CO 0.51 0.59 -0.58 0.74 0.37 0.00 0.00 175.52 177.16 1h5w h THR 131 N 0.00 0.00 -0.97 3.16 2.02 -1.88 -1.33 112.91 113.91 1h5w h THR 131 Ca -0.24 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.19 1h5w h THR 131 Cb 1.97 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 1h5w h THR 131 CO 0.09 0.00 0.65 1.55 0.37 0.00 0.00 175.52 178.18 1h5w h PRO 132 N -0.09 0.25 -0.31 6.66 0.13 -1.93 0.94 132.00 137.66 1h5w h PRO 132 Ca 0.14 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.09 1h5w h PRO 132 Cb 0.45 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 1h5w h PRO 132 CO -0.85 0.17 -0.44 1.15 -0.23 0.00 0.00 178.00 177.79 1h5w h THR 133 N 0.26 1.28 -0.73 1.56 2.02 -1.54 -1.47 112.91 114.30 1h5w h THR 133 Ca 0.50 -1.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.00 1h5w h THR 133 Cb 1.50 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.46 1h5w h THR 133 CO -0.15 0.53 0.24 -0.07 0.37 0.00 0.00 175.52 176.44 1h5w h LEU 134 N 0.62 1.03 -0.70 2.58 3.38 -0.56 -2.14 115.31 119.52 1h5w h LEU 134 Ca 0.03 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1h5w h LEU 134 Cb 1.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1h5w h LEU 134 CO 0.10 0.95 -0.00 -0.33 0.09 0.00 0.00 178.44 179.25 1h5w h GLU 135 N 1.07 1.00 -0.38 1.13 5.08 -0.97 0.11 114.58 121.61 1h5w h GLU 135 Ca 0.24 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1h5w h GLU 135 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1h5w h GLU 135 CO -0.01 0.98 0.20 1.25 -1.00 0.00 0.00 179.01 180.43 1h5w h LEU 136 N 0.91 0.48 -0.17 1.33 5.85 -0.84 -1.87 115.31 121.00 1h5w h LEU 136 Ca 0.17 -0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.56 1h5w h LEU 136 Cb 0.54 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1h5w h LEU 136 CO 0.03 0.44 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.48 1h5w h PHE 137 N 0.48 0.95 -0.96 1.25 -1.00 -1.27 -2.62 116.94 113.77 1h5w h PHE 137 Ca 0.13 -0.44 0.05 0.00 2.81 0.00 0.00 57.97 60.52 1h5w h PHE 137 Cb 0.08 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.44 1h5w h PHE 137 CO -0.02 1.26 0.63 0.00 -1.61 0.00 0.00 178.31 178.57 1h5w h ALA 138 N 0.61 1.41 -0.57 2.45 0.00 -0.72 0.16 119.26 122.59 1h5w h ALA 138 Ca -0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1h5w h ALA 138 Cb 1.46 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1h5w h ALA 138 CO 0.16 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 1h5w h ALA 139 N 1.46 0.77 -0.44 0.00 0.00 -1.30 -0.50 119.26 119.25 1h5w h ALA 139 Ca 0.39 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1h5w h ALA 139 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h5w h ALA 139 CO -0.13 0.63 -0.23 1.49 0.00 0.00 0.00 179.25 181.01 1h5w h GLU 140 N 0.92 0.90 -0.40 0.00 4.57 -0.91 -0.83 114.58 118.83 1h5w h GLU 140 Ca 0.16 -0.38 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1h5w h GLU 140 Cb 0.58 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1h5w h GLU 140 CO 0.03 1.03 0.04 -0.07 -1.18 0.00 0.00 179.01 178.87 1h5w h LEU 141 N 0.78 0.66 -1.02 1.64 3.38 -0.53 -2.31 115.31 117.90 1h5w h LEU 141 Ca 0.10 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1h5w h LEU 141 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1h5w h LEU 141 CO 0.06 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.37 1h5w h ALA 142 N 0.91 1.19 -0.55 1.53 0.00 -0.96 -1.81 119.26 119.57 1h5w h ALA 142 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1h5w h ALA 142 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1h5w h ALA 142 CO 0.01 0.53 0.14 1.49 0.00 0.00 0.00 179.25 181.42 1h5w h GLU 143 N 0.66 0.88 -0.40 0.00 4.81 -0.95 -1.16 114.58 118.42 1h5w h GLU 143 Ca 0.13 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1h5w h GLU 143 Cb 0.41 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1h5w h GLU 143 CO 0.02 0.82 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.99 1h5w h LEU 144 N 0.78 0.65 -0.64 1.64 3.38 -1.13 -1.40 115.31 118.58 1h5w h LEU 144 Ca 0.17 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1h5w h LEU 144 Cb 0.33 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1h5w h LEU 144 CO 0.00 0.75 0.18 0.50 0.09 0.00 0.00 178.44 179.97 1h5w h LYS 145 N 0.63 1.01 -0.49 1.13 3.11 -0.95 -0.61 116.57 120.40 1h5w h LYS 145 Ca 0.12 -0.23 -0.10 0.00 -2.81 0.00 0.00 60.65 57.63 1h5w h LYS 145 Cb 0.47 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 1h5w h LYS 145 CO 0.02 0.90 -0.09 1.49 -2.81 0.00 0.00 179.45 178.96 1h5w h GLU 146 N 0.94 0.88 -0.33 1.90 4.81 -0.77 -0.70 114.58 121.31 1h5w h GLU 146 Ca 0.20 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 1h5w h GLU 146 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1h5w h GLU 146 CO -0.00 0.94 -0.30 0.82 -0.73 0.00 0.00 179.01 179.74 1h5w h ILE 147 N 0.80 1.28 -0.58 2.32 2.04 -0.96 -1.90 117.51 120.51 1h5w h ILE 147 Ca 0.13 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 1h5w h ILE 147 Cb 0.60 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1h5w h ILE 147 CO 0.04 0.46 0.15 0.40 0.00 0.00 0.00 178.15 179.20 1h5w h ILE 148 N 0.59 1.25 -0.56 -0.67 2.04 -0.83 -1.55 117.51 117.77 1h5w h ILE 148 Ca 0.07 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.09 1h5w h ILE 148 Cb 0.80 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1h5w h ILE 148 CO 0.07 0.32 0.34 0.28 0.00 0.00 0.00 178.15 179.16 1h5w h SER 149 N 0.82 0.54 -0.03 1.72 0.02 -0.79 -0.43 113.55 115.40 1h5w h SER 149 Ca 0.18 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1h5w h SER 149 Cb 0.33 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1h5w h SER 149 CO -0.00 0.38 0.01 0.58 -1.14 0.00 0.00 176.83 176.66 1h5w h VAL 150 N 0.66 1.12 -0.62 2.27 2.07 -1.08 -2.23 116.25 118.45 1h5w h VAL 150 Ca 0.23 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1h5w h VAL 150 Cb 0.04 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1h5w h VAL 150 CO -0.11 0.10 0.02 -1.13 0.02 0.00 0.00 177.57 176.47 1h5w h ASN 151 N -0.11 1.06 -0.13 0.57 -0.00 -1.04 -0.37 115.58 115.56 1h5w h ASN 151 Ca 0.01 -0.29 -0.12 0.00 -0.00 0.00 0.00 56.30 55.90 1h5w h ASN 151 Cb 0.15 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 1h5w h ASN 151 CO -0.00 1.10 -0.30 0.06 -0.00 0.00 0.00 177.43 178.28 1h5w h GLN 152 N 0.99 0.61 -0.11 6.67 3.07 -1.11 -2.85 115.11 122.38 1h5w h GLN 152 Ca 0.18 -0.27 -0.12 0.00 0.09 0.00 0.00 58.65 58.53 1h5w h GLN 152 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1h5w h GLN 152 CO 0.03 0.85 -0.47 -0.97 0.09 0.00 0.00 178.83 178.35 1h5w h ASN 153 N 0.53 0.30 0.17 0.06 -1.24 -1.13 -2.28 115.58 111.99 1h5w h ASN 153 Ca 0.06 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1h5w h ASN 153 Cb 0.79 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.75 1h5w h ASN 153 CO 0.06 0.73 0.00 0.00 -1.29 0.00 0.00 177.43 176.93 1h5w h ALA 154 N 1.28 1.00 0.00 1.57 0.00 -0.83 -1.70 119.26 120.59 1h5w h ALA 154 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h5w h ALA 154 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1h5w h ALA 154 CO 0.08 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.37 1h5w n GLN 155 N -2.94 0.19 0.23 0.00 1.13 -0.86 -2.80 117.38 112.33 1h5w n GLN 155 Ca -0.02 0.42 0.13 0.00 -1.94 0.00 0.00 57.00 55.59 1h5w n GLN 155 Cb 0.10 -1.87 0.26 0.00 0.11 0.00 0.00 30.24 28.85 1h5w n GLN 155 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1h5w h LYS 156 N 0.00 0.00 -2.15 -1.09 1.57 -1.47 -3.39 116.57 110.03 1h5w h LYS 156 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1h5w h LYS 156 Cb 0.36 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.26 1h5w h LYS 156 CO 0.00 0.00 -0.75 0.25 -0.57 0.00 0.00 179.45 178.38 1h5w n THR 157 N -3.09 1.67 0.59 -0.16 -2.24 -1.12 -4.88 114.28 105.05 1h5w n THR 157 Ca 0.03 -4.98 0.13 0.00 -2.27 0.00 0.00 64.05 56.96 1h5w n THR 157 Cb 0.49 -1.86 0.33 0.00 -2.10 0.00 0.00 70.33 67.19 1h5w n THR 157 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1h5w h PRO 158 N 3.89 0.00 -4.90 -0.78 0.13 -1.78 -3.40 132.00 125.16 1h5w h PRO 158 Ca 0.16 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.84 1h5w h PRO 158 Cb 0.70 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.54 1h5w h PRO 158 CO 0.73 0.00 -0.80 0.08 -0.23 0.00 0.00 178.00 177.79 1h5w s VAL 159 N -3.13 0.91 -0.07 1.56 1.01 -1.26 -0.40 120.40 119.02 1h5w s VAL 159 Ca 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1h5w s VAL 159 Cb 0.12 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1h5w s VAL 159 CO 0.64 0.26 -0.14 -0.22 0.00 0.00 0.00 175.10 175.64 1h5w s LEU 160 N -0.11 1.74 -0.20 3.92 2.96 -0.22 -4.90 118.68 121.87 1h5w s LEU 160 Ca 0.02 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1h5w s LEU 160 Cb -0.06 -0.93 0.02 0.00 0.50 0.00 0.00 46.19 45.72 1h5w s LEU 160 CO 0.00 0.06 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.31 1h5w s ILE 161 N 0.56 2.32 -0.17 6.68 1.01 -1.26 0.11 121.20 130.46 1h5w s ILE 161 Ca -0.15 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.36 1h5w s ILE 161 Cb -0.16 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1h5w s ILE 161 CO 0.05 0.43 0.49 -0.60 0.00 0.00 0.00 174.94 175.30 1h5w s ARG 162 N 1.30 4.24 0.13 2.79 3.52 0.27 -4.96 118.95 126.25 1h5w s ARG 162 Ca 0.03 0.39 0.04 0.00 -0.13 0.00 0.00 55.73 56.06 1h5w s ARG 162 Cb -0.14 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1h5w s ARG 162 CO -0.10 -0.03 -0.09 0.00 -0.81 0.00 0.00 175.30 174.27 1h5w s ALA 163 N 1.24 1.31 -0.79 6.12 0.00 -1.26 -1.43 121.76 126.96 1h5w s ALA 163 Ca 0.24 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1h5w s ALA 163 Cb -0.15 0.09 0.34 0.00 0.00 0.00 0.00 23.12 23.40 1h5w s ALA 163 CO 0.10 -0.14 1.44 0.09 0.00 0.00 0.00 175.76 177.25 1h5w n ASN 164 N -0.15 6.04 -4.57 0.00 5.03 -1.02 -5.02 115.26 115.57 1h5w n ASN 164 Ca -0.11 -3.71 -0.46 0.00 0.87 0.00 0.00 54.58 51.18 1h5w n ASN 164 Cb 0.61 -0.86 -0.02 0.00 -1.02 0.00 0.00 39.78 38.48 1h5w n ASN 164 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1h5w n ASP 165 N -0.21 1.05 0.00 6.41 9.92 -1.26 -4.99 116.55 127.46 1h5w n ASP 165 Ca 0.41 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.83 1h5w n ASP 165 Cb 0.34 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 1h5w n ASP 165 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1h5w n ASN 166 N 1.48 0.00 0.00 -2.24 4.13 -1.23 -5.09 115.26 112.31 1h5w n ASN 166 Ca 0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1h5w n ASN 166 Cb 0.30 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1h5w n ASN 166 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1h5w n ASN 167 N 0.00 0.00 -0.03 6.41 2.85 -1.26 -4.66 115.26 118.57 1h5w n ASN 167 Ca 0.00 0.04 -0.04 0.00 -0.11 0.00 0.00 54.58 54.46 1h5w n ASN 167 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1h5w n ASN 167 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1h5w h GLN 168 N 0.00 -0.14 -7.08 1.20 1.08 -2.03 -3.42 115.11 104.72 1h5w h GLN 168 Ca 0.00 0.01 -0.46 0.00 -1.45 0.00 0.00 58.65 56.75 1h5w h GLN 168 Cb 0.00 0.03 0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1h5w h GLN 168 CO 0.00 -0.09 0.37 -0.48 -0.95 0.00 0.00 178.83 177.68 1h5w s LEU 169 N -6.83 3.84 -0.30 1.46 2.34 -1.26 -5.06 118.68 112.87 1h5w s LEU 169 Ca -0.04 1.86 -0.05 0.00 0.06 0.00 0.00 54.13 55.96 1h5w s LEU 169 Cb 0.02 -4.55 0.19 0.00 -0.56 0.00 0.00 46.19 41.29 1h5w s LEU 169 CO 0.19 -0.70 0.76 -0.55 -1.06 0.00 0.00 176.35 174.99 1h5w s SER 170 N -2.10 -1.07 0.20 1.48 0.15 -1.26 -3.51 113.70 107.59 1h5w s SER 170 Ca 0.66 0.57 -0.11 0.00 0.70 0.00 0.00 55.95 57.76 1h5w s SER 170 Cb -0.14 1.86 0.27 0.00 -1.71 0.00 0.00 66.02 66.29 1h5w s SER 170 CO 0.19 -0.20 1.68 -0.07 1.20 0.00 0.00 173.24 176.05 1h5w h LEU 171 N 7.96 -0.17 -0.49 3.45 3.38 -1.99 -1.59 115.31 125.86 1h5w h LEU 171 Ca -0.17 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1h5w h LEU 171 Cb 1.17 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 42.05 1h5w h LEU 171 CO 0.12 -0.07 -0.06 0.11 0.09 0.00 0.00 178.44 178.63 1h5w h LYS 172 N 0.16 0.05 -0.89 1.13 1.57 -2.00 -0.55 116.57 116.05 1h5w h LYS 172 Ca 0.30 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1h5w h LYS 172 Cb 0.47 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1h5w h LYS 172 CO -0.46 0.04 0.58 1.96 -0.57 0.00 0.00 179.45 181.00 1h5w h GLN 173 N 0.06 1.17 -0.11 3.15 4.20 -1.74 -0.35 115.11 121.49 1h5w h GLN 173 Ca 0.24 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.91 1h5w h GLN 173 Cb 0.37 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1h5w h GLN 173 CO -0.46 0.78 -0.08 0.28 -0.67 0.00 0.00 178.83 178.69 1h5w h VAL 174 N 1.20 0.77 -0.44 -0.54 2.07 -0.44 -0.21 116.25 118.65 1h5w h VAL 174 Ca 0.32 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.79 1h5w h VAL 174 Cb -0.13 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1h5w h VAL 174 CO -0.07 0.00 0.06 1.88 0.02 0.00 0.00 177.57 179.46 1h5w h TYR 175 N -0.08 0.71 -0.38 1.57 -1.99 -0.92 -0.93 116.97 114.94 1h5w h TYR 175 Ca 0.07 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1h5w h TYR 175 Cb 0.19 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 1h5w h TYR 175 CO -0.20 0.64 0.02 -0.97 -0.00 0.00 0.00 178.16 177.66 1h5w h ASN 176 N 0.66 0.55 0.02 3.88 -1.24 -0.29 -2.65 115.58 116.51 1h5w h ASN 176 Ca 0.14 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1h5w h ASN 176 Cb 0.33 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1h5w h ASN 176 CO 0.01 0.60 -0.16 0.00 -1.29 0.00 0.00 177.43 176.59 1h5w n GLN 177 N -4.28 1.66 -1.67 6.67 6.02 -0.16 -4.97 117.38 120.64 1h5w n GLN 177 Ca 0.02 -1.24 -0.52 0.00 -0.01 0.00 0.00 57.00 55.25 1h5w n GLN 177 Cb 0.24 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 1h5w n GLN 177 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1h5w n TYR 178 N 0.41 2.03 0.58 1.08 9.36 -0.39 -4.88 117.16 125.35 1h5w n TYR 178 Ca 0.14 0.38 0.11 0.00 3.32 0.00 0.00 57.90 61.85 1h5w n TYR 178 Cb 0.47 -2.50 0.02 0.00 -0.63 0.00 0.00 39.34 36.70 1h5w n TYR 178 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1h5w n GLU 179 N 4.78 0.28 -1.66 2.98 1.02 -1.26 -4.98 120.64 121.80 1h5w n GLU 179 Ca 0.22 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.29 1h5w n GLU 179 Cb 0.21 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1h5w n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h5w n GLY 180 N 1.37 0.51 0.89 0.62 0.00 -1.26 -4.90 105.19 102.42 1h5w n GLY 180 Ca 0.02 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.45 1h5w n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h5w n ASN 181 N 0.76 3.25 -3.59 1.61 3.02 -1.26 -5.00 115.26 114.05 1h5w n ASN 181 Ca -0.08 -1.98 0.02 0.00 -0.03 0.00 0.00 54.58 52.51 1h5w n ASN 181 Cb 0.39 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1h5w n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h5w s ALA 182 N -1.02 -2.36 0.74 5.41 0.00 -1.26 -5.15 121.76 118.12 1h5w s ALA 182 Ca 0.32 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 1h5w s ALA 182 Cb 0.17 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.50 1h5w s ALA 182 CO 0.22 -0.97 1.21 -1.25 0.00 0.00 0.00 175.76 174.98 1h5w s PRO 183 N -2.18 2.07 0.24 0.00 0.04 -1.26 -4.89 135.00 129.01 1h5w s PRO 183 Ca 0.14 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1h5w s PRO 183 Cb 0.05 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1h5w s PRO 183 CO -0.05 -1.89 1.49 0.08 0.04 0.00 0.00 177.00 176.67 1h5w s VAL 184 N -2.00 2.56 -0.12 -0.36 1.01 -1.26 -4.99 120.40 115.24 1h5w s VAL 184 Ca 0.74 0.45 0.01 0.00 0.00 0.00 0.00 61.98 63.19 1h5w s VAL 184 Cb -0.29 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1h5w s VAL 184 CO 0.46 0.06 -0.15 -0.63 0.00 0.00 0.00 175.10 174.84 1h5w s ILE 185 N 0.26 1.57 -0.37 2.22 1.01 -1.26 -5.08 121.20 119.55 1h5w s ILE 185 Ca 0.62 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 1h5w s ILE 185 Cb -0.43 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 40.69 1h5w s ILE 185 CO 0.41 0.46 0.13 0.12 0.00 0.00 0.00 174.94 176.05 1h5w s PHE 186 N 1.15 3.55 -0.02 3.97 5.36 -1.26 -5.01 117.98 125.72 1h5w s PHE 186 Ca -0.03 -2.42 0.05 0.00 -0.96 0.00 0.00 56.93 53.58 1h5w s PHE 186 Cb -0.14 -2.91 -0.01 0.00 -0.34 0.00 0.00 43.02 39.61 1h5w s PHE 186 CO -0.05 -0.93 -0.17 0.00 -1.46 0.00 0.00 175.22 172.61 1h5w s ALA 187 N 1.12 1.46 -0.27 11.12 0.00 -1.26 -5.10 121.76 128.83 1h5w s ALA 187 Ca 0.06 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 1h5w s ALA 187 Cb -0.21 -0.41 0.16 0.00 0.00 0.00 0.00 23.12 22.66 1h5w s ALA 187 CO -0.04 0.33 1.26 -1.58 0.00 0.00 0.00 175.76 175.73 1h5w s HIS 188 N -0.27 -0.20 0.44 0.00 5.04 -1.26 -4.99 115.29 114.04 1h5w s HIS 188 Ca 0.04 0.46 0.10 0.00 -1.54 0.00 0.00 55.06 54.12 1h5w s HIS 188 Cb -0.08 0.45 0.98 0.00 0.04 0.00 0.00 32.58 33.96 1h5w s HIS 188 CO 0.00 -0.12 2.06 1.49 -2.34 0.00 0.00 174.74 175.83 1h5w h GLU 189 N 3.18 0.32 0.00 2.88 4.81 -2.06 -1.64 114.58 122.06 1h5w h GLU 189 Ca -0.23 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1h5w h GLU 189 Cb 1.19 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1h5w h GLU 189 CO 0.18 0.25 -0.13 0.00 -0.73 0.00 0.00 179.01 178.58 1h5w h ALA 190 N 1.81 1.09 -2.71 2.92 0.00 -2.04 -3.45 119.26 116.88 1h5w h ALA 190 Ca 0.08 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 1h5w h ALA 190 Cb 0.03 -0.02 0.18 0.00 0.00 0.00 0.00 17.79 17.98 1h5w h ALA 190 CO -0.01 0.17 0.35 1.28 0.00 0.00 0.00 179.25 181.04 1h5w n LEU 191 N -3.39 4.68 0.00 0.00 4.77 -0.62 -5.04 117.00 117.40 1h5w n LEU 191 Ca -0.01 0.64 -0.05 0.00 -0.03 0.00 0.00 56.01 56.56 1h5w n LEU 191 Cb 0.32 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 39.90 1h5w n LEU 191 CO 0.30 -1.58 0.09 -0.90 -1.33 0.00 0.00 177.39 173.97 1h5w n ASP 192 N -2.90 -0.59 0.20 -1.43 5.75 -1.26 -5.01 116.55 111.31 1h5w n ASP 192 Ca 0.14 -1.68 0.15 0.00 -0.01 0.00 0.00 54.79 53.39 1h5w n ASP 192 Cb 0.50 1.06 0.63 0.00 -1.03 0.00 0.00 41.12 42.27 1h5w n ASP 192 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1h5w h SER 193 N 0.74 0.00 -0.02 -1.12 0.02 -1.96 -3.14 113.55 108.06 1h5w h SER 193 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1h5w h SER 193 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1h5w h SER 193 CO 0.14 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.30 1h5w n ASP 194 N -2.63 1.92 0.26 3.07 8.00 -1.26 -4.57 116.55 121.35 1h5w n ASP 194 Ca 0.01 -1.46 0.15 0.00 0.71 0.00 0.00 54.79 54.19 1h5w n ASP 194 Cb 0.23 -0.01 0.62 0.00 -0.02 0.00 0.00 41.12 41.95 1h5w n ASP 194 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1h5w h SER 195 N 2.12 0.00 -3.70 -2.24 4.64 -1.93 -3.44 113.55 109.00 1h5w h SER 195 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1h5w h SER 195 Cb 0.46 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.24 1h5w h SER 195 CO 0.00 0.08 -0.75 -0.63 -0.87 0.00 0.00 176.83 174.66 1h5w s ILE 196 N -3.70 0.35 -0.02 0.95 1.01 -1.26 -2.44 121.20 116.09 1h5w s ILE 196 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1h5w s ILE 196 Cb 0.10 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.24 1h5w s ILE 196 CO 0.57 0.14 0.02 -0.70 0.00 0.00 0.00 174.94 174.97 1h5w s GLU 197 N 0.39 -0.01 -0.15 2.79 2.12 -0.51 -5.00 118.70 118.32 1h5w s GLU 197 Ca -0.04 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.39 1h5w s GLU 197 Cb -0.08 -0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 1h5w s GLU 197 CO -0.00 -0.13 -0.02 0.08 -0.54 0.00 0.00 175.26 174.64 1h5w s VAL 198 N 0.83 4.05 0.04 3.70 1.01 -1.26 -0.56 120.40 128.21 1h5w s VAL 198 Ca -0.07 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1h5w s VAL 198 Cb -0.10 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1h5w s VAL 198 CO -0.02 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 174.97 1h5w s PHE 199 N 0.21 2.37 -0.26 5.22 0.40 0.12 -4.99 117.98 121.05 1h5w s PHE 199 Ca -0.01 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 55.79 1h5w s PHE 199 Cb -0.14 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1h5w s PHE 199 CO 0.02 0.15 0.35 0.15 0.70 0.00 0.00 175.22 176.60 1h5w s LYS 200 N -1.26 4.04 -0.23 0.44 3.01 -1.26 -1.05 119.74 123.43 1h5w s LYS 200 Ca 0.12 0.03 0.12 0.00 -1.01 0.00 0.00 55.97 55.23 1h5w s LYS 200 Cb -0.10 -3.63 0.45 0.00 -1.01 0.00 0.00 37.83 33.54 1h5w s LYS 200 CO 0.03 -0.21 1.19 0.25 0.51 0.00 0.00 175.35 177.12 1h5w n THR 201 N 4.93 2.01 -2.50 2.17 -2.24 0.46 -4.96 114.28 114.14 1h5w n THR 201 Ca -0.09 -3.38 -0.40 0.00 -2.27 0.00 0.00 64.05 57.91 1h5w n THR 201 Cb 0.51 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1h5w n THR 201 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1h5w s ASP 202 N -3.33 7.21 -0.19 3.42 -4.77 -1.17 -4.46 116.67 113.38 1h5w s ASP 202 Ca 0.42 2.21 -0.07 0.00 -3.30 0.00 0.00 52.55 51.81 1h5w s ASP 202 Cb 0.38 -2.62 -0.03 0.00 -1.09 0.00 0.00 42.92 39.56 1h5w s ASP 202 CO -0.03 -0.18 0.04 0.00 0.70 0.00 0.00 175.17 175.70 1h5w s ALA 203 N -1.24 3.25 0.26 2.11 0.00 -1.26 -5.06 121.76 119.82 1h5w s ALA 203 Ca 0.46 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 1h5w s ALA 203 Cb -0.30 -1.88 -0.14 0.00 0.00 0.00 0.00 23.12 20.80 1h5w s ALA 203 CO 0.38 0.01 1.15 -2.30 0.00 0.00 0.00 175.76 175.00 1h5w n PRO 204 N 3.90 1.53 -2.69 0.00 -0.02 -1.26 -4.87 135.00 131.59 1h5w n PRO 204 Ca -0.17 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 1h5w n PRO 204 Cb 0.52 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1h5w n PRO 204 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1h5w s TYR 205 N -0.70 3.04 -0.03 6.00 5.04 -1.26 -4.86 117.35 124.58 1h5w s TYR 205 Ca 0.63 0.92 0.04 0.00 -2.44 0.00 0.00 57.07 56.22 1h5w s TYR 205 Cb -0.71 -3.86 0.07 0.00 0.35 0.00 0.00 41.96 37.81 1h5w s TYR 205 CO 0.57 -0.91 0.90 1.33 -1.34 0.00 0.00 175.55 176.10 1h5w n VAL 206 N 6.15 0.74 -0.25 3.14 0.24 -1.26 -4.83 118.33 122.26 1h5w n VAL 206 Ca 0.10 -0.83 -0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1h5w n VAL 206 Cb 0.48 0.46 0.12 0.00 -1.47 0.00 0.00 33.84 33.43 1h5w n VAL 206 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1h5w h VAL 207 N 2.19 0.94 -0.83 3.34 2.07 -1.93 -0.56 116.25 121.47 1h5w h VAL 207 Ca 0.00 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1h5w h VAL 207 Cb 0.93 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1h5w h VAL 207 CO 0.00 0.13 0.40 -2.24 0.02 0.00 0.00 177.57 175.87 1h5w h ASP 208 N 0.69 1.09 -0.06 0.57 2.03 -1.99 1.00 116.42 119.75 1h5w h ASP 208 Ca 0.33 -0.14 -0.18 0.00 -0.73 0.00 0.00 57.03 56.31 1h5w h ASP 208 Cb 0.25 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1h5w h ASP 208 CO -0.21 0.92 -0.62 0.11 -1.03 0.00 0.00 179.24 178.41 1h5w h LYS 209 N 1.18 0.67 -0.55 4.15 1.57 -1.78 -2.22 116.57 119.59 1h5w h LYS 209 Ca 0.28 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1h5w h LYS 209 Cb 0.12 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1h5w h LYS 209 CO -0.04 1.08 0.01 -0.07 -0.57 0.00 0.00 179.45 179.86 1h5w h LEU 210 N 0.49 0.90 -1.20 2.94 3.38 -0.84 -1.19 115.31 119.80 1h5w h LEU 210 Ca -0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1h5w h LEU 210 Cb 1.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1h5w h LEU 210 CO 0.12 0.95 0.08 -1.13 0.09 0.00 0.00 178.44 178.56 1h5w h ASN 211 N 0.86 0.59 -0.51 -0.43 -1.24 -0.68 0.16 115.58 114.33 1h5w h ASN 211 Ca 0.16 -0.10 -0.13 0.00 0.71 0.00 0.00 56.30 56.95 1h5w h ASN 211 Cb 0.50 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1h5w h ASN 211 CO 0.02 0.61 -0.18 0.00 -1.29 0.00 0.00 177.43 176.60 1h5w h ALA 212 N 1.47 0.71 -0.50 1.57 0.00 -0.76 -1.44 119.26 120.30 1h5w h ALA 212 Ca 0.14 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1h5w h ALA 212 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1h5w h ALA 212 CO 0.00 0.67 -0.05 0.37 0.00 0.00 0.00 179.25 180.25 1h5w h GLN 213 N 0.89 0.88 -0.92 0.00 5.75 -0.59 -1.03 115.11 120.09 1h5w h GLN 213 Ca 0.12 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1h5w h GLN 213 Cb 0.76 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 1h5w h GLN 213 CO 0.06 0.91 0.55 -0.22 -2.65 0.00 0.00 178.83 177.47 1h5w h LYS 214 N 0.81 1.25 -0.31 1.69 3.64 -0.69 0.70 116.57 123.65 1h5w h LYS 214 Ca 0.14 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1h5w h LYS 214 Cb 0.55 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1h5w h LYS 214 CO 0.03 0.88 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.91 1h5w h ASN 215 N 1.27 0.64 -0.35 4.20 2.35 -0.77 -0.89 115.58 122.02 1h5w h ASN 215 Ca 0.33 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1h5w h ASN 215 Cb -0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1h5w h ASN 215 CO -0.06 0.89 0.18 0.00 -1.65 0.00 0.00 177.43 176.78 1h5w h ALA 216 N 1.16 0.45 -0.69 -0.83 0.00 -0.10 0.15 119.26 119.40 1h5w h ALA 216 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1h5w h ALA 216 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1h5w h ALA 216 CO 0.06 0.00 0.35 0.28 0.00 0.00 0.00 179.25 179.94 1h5w h VAL 217 N 0.43 1.22 -0.46 0.00 2.07 -0.70 -0.63 116.25 118.18 1h5w h VAL 217 Ca 0.12 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1h5w h VAL 217 Cb 0.10 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1h5w h VAL 217 CO -0.02 0.26 0.20 -0.25 0.02 0.00 0.00 177.57 177.78 1h5w h TRP 218 N 0.96 0.69 -0.06 1.57 2.91 -0.80 -1.88 115.95 119.34 1h5w h TRP 218 Ca 0.24 -0.05 -0.06 0.00 1.13 0.00 0.00 58.89 60.16 1h5w h TRP 218 Cb 0.09 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.52 1h5w h TRP 218 CO 0.00 0.58 -0.23 -0.91 -1.03 0.00 0.00 178.44 176.85 1h5w h ASN 219 N 0.60 0.10 -0.39 2.65 2.35 -0.34 -0.34 115.58 120.21 1h5w h ASN 219 Ca 0.16 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1h5w h ASN 219 Cb 0.17 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1h5w h ASN 219 CO -0.01 0.33 -0.18 -0.08 -1.65 0.00 0.00 177.43 175.83 1h5w h GLU 220 N 0.09 0.81 -0.51 0.81 4.81 -0.75 -1.29 114.58 118.54 1h5w h GLU 220 Ca 0.02 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1h5w h GLU 220 Cb 0.46 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1h5w h GLU 220 CO 0.03 0.98 0.18 1.98 -0.73 0.00 0.00 179.01 181.45 1h5w h MET 221 N 0.61 0.79 -0.38 1.92 4.05 -0.75 -1.91 114.93 119.26 1h5w h MET 221 Ca 0.09 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1h5w h MET 221 Cb 0.74 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 1h5w h MET 221 CO 0.06 0.72 0.24 0.52 0.23 0.00 0.00 176.91 178.68 1h5w h MET 222 N 0.70 0.51 -0.84 0.39 2.86 -0.94 -2.63 114.93 114.98 1h5w h MET 222 Ca 0.17 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1h5w h MET 222 Cb 0.24 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1h5w h MET 222 CO -0.01 0.36 0.54 1.15 1.06 0.00 0.00 176.91 180.00 1h5w h THR 223 N 0.51 1.12 -0.71 2.22 2.02 -1.06 0.20 112.91 117.20 1h5w h THR 223 Ca 0.14 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1h5w h THR 223 Cb -0.03 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.33 1h5w h THR 223 CO -0.03 0.19 0.47 0.15 0.37 0.00 0.00 175.52 176.67 1h5w h PHE 224 N 1.03 0.87 -0.16 3.16 3.57 -1.00 -1.03 116.94 123.37 1h5w h PHE 224 Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1h5w h PHE 224 Cb 0.03 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1h5w h PHE 224 CO -0.03 0.53 0.00 1.28 -2.23 0.00 0.00 178.31 177.86 1h5w n LEU 225 N -4.44 1.72 -0.70 0.59 4.77 -0.83 -4.48 117.00 113.62 1h5w n LEU 225 Ca 0.08 -0.71 -0.06 0.00 -0.03 0.00 0.00 56.01 55.29 1h5w n LEU 225 Cb 0.08 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1h5w n LEU 225 CO 0.35 0.36 -0.08 0.61 -1.33 0.00 0.00 177.39 177.30 1h5w n GLY 226 N 1.15 0.17 3.73 -0.72 0.00 -0.39 -4.59 105.19 104.53 1h5w n GLY 226 Ca 0.16 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1h5w n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h5w s ILE 227 N -2.31 4.99 0.27 -0.61 1.01 0.62 -4.79 121.20 120.37 1h5w s ILE 227 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 1h5w s ILE 227 Cb 0.00 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 39.14 1h5w s ILE 227 CO 0.00 0.53 1.44 0.29 0.00 0.00 0.00 174.94 177.20 1h5w n LYS 228 N 2.83 2.21 -3.48 2.79 5.02 -1.26 -3.95 118.16 122.32 1h5w n LYS 228 Ca -0.18 0.78 -0.13 0.00 -2.02 0.00 0.00 58.31 56.77 1h5w n LYS 228 Cb 0.53 -2.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.05 1h5w n LYS 228 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1h5w s ASN 229 N 0.26 -0.52 0.00 4.39 2.20 -1.26 -4.99 114.94 115.03 1h5w s ASN 229 Ca 0.65 0.07 0.00 0.00 -0.94 0.00 0.00 52.86 52.65 1h5w s ASN 229 Cb -0.60 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.21 1h5w s ASN 229 CO 0.51 -0.87 0.33 0.00 -2.94 0.00 0.00 177.10 174.13 1h5w n ALA 230 N -0.08 0.43 -3.51 3.54 0.00 -1.26 -5.08 120.51 114.55 1h5w n ALA 230 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 1h5w n ALA 230 Cb 0.63 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 19.09 1h5w n ALA 230 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1h5w n ASN 246 N 2.95 2.15 -0.02 0.00 4.05 -1.26 -5.05 115.26 118.08 1h5w n ASN 246 Ca 0.00 -2.43 -0.09 0.00 0.45 0.00 0.00 54.58 52.52 1h5w n ASN 246 Cb 0.00 -0.16 -0.02 0.00 1.23 0.00 0.00 39.78 40.83 1h5w n ASN 246 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 1h5w h ASP 247 N 0.36 -0.51 -0.44 1.20 1.82 -2.00 -2.16 116.42 114.69 1h5w h ASP 247 Ca -0.26 0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.43 1h5w h ASP 247 Cb 1.03 0.25 -0.02 0.00 0.68 0.00 0.00 39.33 41.26 1h5w h ASP 247 CO 0.39 -0.20 0.11 -0.08 -1.61 0.00 0.00 179.24 177.85 1h5w h GLU 248 N -0.18 0.77 -0.38 0.28 4.81 -2.04 -0.82 114.58 117.02 1h5w h GLU 248 Ca 0.11 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1h5w h GLU 248 Cb 0.34 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1h5w h GLU 248 CO -0.29 0.70 0.00 1.96 -0.73 0.00 0.00 179.01 180.66 1h5w h GLN 249 N 0.74 0.66 -0.18 1.92 4.20 -1.93 0.36 115.11 120.88 1h5w h GLN 249 Ca 0.16 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1h5w h GLN 249 Cb 0.29 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1h5w h GLN 249 CO -0.00 0.76 -0.08 0.82 -0.67 0.00 0.00 178.83 179.66 1h5w h ILE 250 N 0.48 1.31 -0.41 2.54 2.04 -1.24 -1.00 117.51 121.22 1h5w h ILE 250 Ca 0.11 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1h5w h ILE 250 Cb 0.47 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1h5w h ILE 250 CO 0.02 0.34 0.24 -0.08 0.00 0.00 0.00 178.15 178.66 1h5w h GLU 251 N 0.05 0.47 -0.55 2.37 4.57 -1.11 -2.13 114.58 118.26 1h5w h GLU 251 Ca 0.04 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.09 1h5w h GLU 251 Cb 0.56 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1h5w h GLU 251 CO 0.03 0.31 -0.05 0.77 -1.18 0.00 0.00 179.01 178.88 1h5w h SER 252 N 0.48 0.97 -0.54 1.04 0.02 -0.90 -0.59 113.55 114.03 1h5w h SER 252 Ca 0.16 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1h5w h SER 252 Cb 0.02 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1h5w h SER 252 CO -0.08 1.05 0.34 0.28 -1.14 0.00 0.00 176.83 177.28 1h5w h SER 253 N 0.89 0.57 0.49 3.07 0.02 -0.90 -1.80 113.55 115.88 1h5w h SER 253 Ca 0.15 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1h5w h SER 253 Cb 0.59 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1h5w h SER 253 CO 0.04 0.41 -0.49 1.23 -1.14 0.00 0.00 176.83 176.87 1h5w h GLY 254 N 0.69 0.01 1.99 -3.77 0.00 -1.19 -2.81 103.07 97.98 1h5w h GLY 254 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1h5w h GLY 254 CO -0.07 0.01 -0.19 -0.84 0.00 0.00 0.00 176.54 175.45 1h5w h THR 255 N 0.00 1.14 -0.91 4.70 2.02 -0.27 -1.18 112.91 118.41 1h5w h THR 255 Ca -0.00 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.62 1h5w h THR 255 Cb 0.87 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 68.56 1h5w h THR 255 CO 0.06 0.19 0.59 0.58 0.37 0.00 0.00 175.52 177.31 1h5w h VAL 256 N 0.01 0.97 0.02 3.16 2.07 -1.14 -0.60 116.25 120.73 1h5w h VAL 256 Ca -0.00 -0.32 -0.29 0.00 0.82 0.00 0.00 66.70 66.91 1h5w h VAL 256 Cb 0.34 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1h5w h VAL 256 CO 0.02 0.17 -1.68 -0.26 0.02 0.00 0.00 177.57 175.84 1h5w h PHE 257 N 0.92 0.07 0.04 1.57 -1.00 -1.54 -3.39 116.94 113.61 1h5w h PHE 257 Ca 0.42 -0.05 -0.18 0.00 2.81 0.00 0.00 57.97 60.97 1h5w h PHE 257 Cb 0.40 -0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.97 1h5w h PHE 257 CO -0.00 1.10 -0.73 1.25 -1.61 0.00 0.00 178.31 178.32 1h5w h LEU 258 N 0.01 0.56 -1.65 1.54 5.85 -0.78 -3.26 115.31 117.59 1h5w h LEU 258 Ca -0.28 -0.81 -0.04 0.00 0.84 0.00 0.00 57.88 57.59 1h5w h LEU 258 Cb 2.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 1h5w h LEU 258 CO 0.09 1.31 -0.18 0.07 -0.34 0.00 0.00 178.44 179.39 1h5w h LYS 259 N -0.11 0.00 -0.28 1.25 2.10 -1.35 -1.12 116.57 117.07 1h5w h LYS 259 Ca -0.10 -0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.41 1h5w h LYS 259 Cb 1.46 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.78 1h5w h LYS 259 CO 0.14 0.18 -0.38 1.03 -2.00 0.00 0.00 179.45 178.42 1h5w h SER 260 N 0.00 0.69 -0.07 7.07 0.87 -1.76 -1.81 113.55 118.54 1h5w h SER 260 Ca -0.00 -0.30 -0.15 0.00 -1.23 0.00 0.00 61.79 60.10 1h5w h SER 260 Cb 0.31 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1h5w h SER 260 CO 0.02 0.99 -0.56 0.03 -0.53 0.00 0.00 176.83 176.79 1h5w h ARG 261 N 0.54 0.51 0.00 2.24 3.08 -1.39 -2.67 114.38 116.69 1h5w h ARG 261 Ca 0.05 -0.45 -0.07 0.00 0.07 0.00 0.00 59.98 59.58 1h5w h ARG 261 Cb 0.90 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1h5w h ARG 261 CO 0.08 1.08 -0.35 1.05 -1.07 0.00 0.00 179.97 180.77 1h5w h GLU 262 N 0.08 0.00 -0.22 0.04 4.11 -1.24 0.14 114.58 117.49 1h5w h GLU 262 Ca -0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 1h5w h GLU 262 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1h5w h GLU 262 CO 0.11 0.35 -0.01 1.49 0.07 0.00 0.00 179.01 181.02 1h5w h GLU 263 N 0.00 0.39 -0.25 1.06 4.22 -1.32 -0.56 114.58 118.12 1h5w h GLU 263 Ca -0.00 -0.13 -0.09 0.00 0.08 0.00 0.00 59.36 59.22 1h5w h GLU 263 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1h5w h GLU 263 CO 0.05 0.59 -0.23 0.00 -2.18 0.00 0.00 179.01 177.24 1h5w h ALA 264 N 0.78 1.14 -0.60 2.92 0.00 -1.15 -2.35 119.26 120.01 1h5w h ALA 264 Ca 0.06 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1h5w h ALA 264 Cb 0.43 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1h5w h ALA 264 CO 0.01 0.54 0.33 0.00 0.00 0.00 0.00 179.25 180.14 1h5w h GLU 266 N 0.63 0.84 -0.74 0.00 4.81 -0.61 -1.42 114.58 118.10 1h5w h GLU 266 Ca 0.26 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1h5w h GLU 266 Cb 0.13 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1h5w h GLU 266 CO -0.15 0.67 0.40 0.87 -0.73 0.00 0.00 179.01 180.07 1h5w h LYS 267 N 0.80 1.03 -0.15 1.92 1.57 -0.92 -0.63 116.57 120.20 1h5w h LYS 267 Ca 0.20 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1h5w h LYS 267 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1h5w h LYS 267 CO -0.03 0.77 0.08 0.82 -0.57 0.00 0.00 179.45 180.52 1h5w h ILE 268 N 1.02 1.10 -0.61 1.86 2.04 -0.76 0.13 117.51 122.29 1h5w h ILE 268 Ca 0.26 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1h5w h ILE 268 Cb 0.04 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1h5w h ILE 268 CO -0.04 0.09 0.24 0.78 0.00 0.00 0.00 178.15 179.22 1h5w h ASN 269 N 0.15 0.84 -0.35 1.72 -0.26 -1.05 -0.38 115.58 116.24 1h5w h ASN 269 Ca 0.05 -0.17 -0.08 0.00 -0.56 0.00 0.00 56.30 55.54 1h5w h ASN 269 Cb 0.07 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1h5w h ASN 269 CO -0.01 0.78 -0.07 -0.33 -1.06 0.00 0.00 177.43 176.74 1h5w h GLU 270 N 0.84 0.68 -0.00 0.81 5.08 -0.97 0.42 114.58 121.43 1h5w h GLU 270 Ca 0.20 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1h5w h GLU 270 Cb 0.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1h5w h GLU 270 CO -0.02 0.83 -0.00 1.25 -1.00 0.00 0.00 179.01 180.07 1h5w h LEU 271 N 0.47 0.01 -0.83 1.33 6.46 -0.59 -3.34 115.31 118.81 1h5w h LEU 271 Ca 0.09 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1h5w h LEU 271 Cb 0.57 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1h5w h LEU 271 CO 0.03 0.44 -0.50 -1.22 -0.62 0.00 0.00 178.44 176.58 1h5w n TYR 272 N -4.87 0.00 -2.93 1.25 4.01 -0.17 -5.00 117.16 109.45 1h5w n TYR 272 Ca -0.08 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.56 1h5w n TYR 272 Cb 0.23 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.29 1h5w n TYR 272 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h5w n GLY 273 N 1.35 0.33 4.04 2.72 0.00 0.14 -5.02 105.19 108.75 1h5w n GLY 273 Ca 0.08 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1h5w n GLY 273 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5w s LEU 274 N -3.57 3.01 -0.20 0.99 1.43 -1.09 -5.03 118.68 114.22 1h5w s LEU 274 Ca 0.24 -0.92 0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1h5w s LEU 274 Cb -0.10 -1.47 0.43 0.00 0.03 0.00 0.00 46.19 45.08 1h5w s LEU 274 CO 0.29 -1.43 1.21 0.59 0.23 0.00 0.00 176.35 177.25 1h5w n ASN 275 N -2.29 1.94 -4.77 2.29 5.03 -1.26 -4.62 115.26 111.57 1h5w n ASN 275 Ca 0.16 -3.74 -0.41 0.00 0.87 0.00 0.00 54.58 51.47 1h5w n ASN 275 Cb 0.62 -0.50 -0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1h5w n ASN 275 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1h5w s VAL 276 N -3.12 2.12 0.04 2.41 1.01 -1.26 -4.69 120.40 116.91 1h5w s VAL 276 Ca 0.39 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1h5w s VAL 276 Cb 0.37 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1h5w s VAL 276 CO -0.07 0.03 -0.06 -0.54 0.00 0.00 0.00 175.10 174.46 1h5w s LYS 277 N -1.88 0.52 0.01 2.72 1.02 -0.75 -4.89 119.74 116.49 1h5w s LYS 277 Ca 0.54 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1h5w s LYS 277 Cb -0.46 -0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1h5w s LYS 277 CO 0.60 0.00 -0.02 0.54 -0.92 0.00 0.00 175.35 175.56 1h5w s VAL 278 N -1.87 0.12 0.29 3.17 0.11 -1.26 -0.69 120.40 120.27 1h5w s VAL 278 Ca -0.08 -0.33 -0.20 0.00 -2.93 0.00 0.00 61.98 58.44 1h5w s VAL 278 Cb -0.07 -0.16 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1h5w s VAL 278 CO -0.01 -0.14 0.78 -1.59 -3.33 0.00 0.00 175.10 170.81 1h5w s LYS 279 N -0.49 1.83 0.11 1.54 -2.85 -0.92 -4.90 119.74 114.06 1h5w s LYS 279 Ca -0.04 -1.07 -0.31 0.00 -1.00 0.00 0.00 55.97 53.54 1h5w s LYS 279 Cb -0.03 0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 36.25 1h5w s LYS 279 CO -0.00 -0.85 1.30 -0.06 0.10 0.00 0.00 175.35 175.84 1h5w s PHE 280 N -3.32 3.33 0.22 1.78 0.40 -1.26 -0.59 117.98 118.53 1h5w s PHE 280 Ca 0.13 1.13 -0.08 0.00 -0.60 0.00 0.00 56.93 57.50 1h5w s PHE 280 Cb -0.05 -3.57 0.24 0.00 0.51 0.00 0.00 43.02 40.15 1h5w s PHE 280 CO 0.08 -1.88 1.85 -0.09 0.70 0.00 0.00 175.22 175.88 1h5w h ARG 281 N 6.57 0.88 -6.05 0.44 2.43 -0.51 -3.39 114.38 114.74 1h5w h ARG 281 Ca -0.42 -0.05 -0.52 0.00 -0.81 0.00 0.00 59.98 58.18 1h5w h ARG 281 Cb 1.21 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1h5w h ARG 281 CO 0.83 0.58 1.34 -0.47 -1.51 0.00 0.00 179.97 180.74 1h5w s TYR 282 N -6.10 1.70 0.00 2.20 5.04 -1.26 -4.98 117.35 113.94 1h5w s TYR 282 Ca -0.13 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 1h5w s TYR 282 Cb 0.16 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1h5w s TYR 282 CO 0.78 -2.46 0.00 -0.25 -1.34 0.00 0.00 175.55 172.28