#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uiu s GLU 5 N 0.00 0.52 0.08 -0.67 2.02 -1.26 -0.51 118.70 118.87 1uiu s GLU 5 Ca 0.00 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1uiu s GLU 5 Cb 0.00 -0.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.89 1uiu s GLU 5 CO 0.00 0.06 -0.12 0.96 0.02 0.00 0.00 175.26 176.18 1uiu s ILE 6 N -1.22 1.01 -0.07 -1.63 -4.36 -0.33 -4.99 121.20 109.61 1uiu s ILE 6 Ca -0.08 -1.45 0.05 0.00 -0.26 0.00 0.00 60.65 58.90 1uiu s ILE 6 Cb -0.09 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 1uiu s ILE 6 CO 0.00 -0.39 -0.22 -0.89 0.24 0.00 0.00 174.94 173.68 1uiu s THR 7 N -1.82 2.31 0.00 8.37 2.01 -1.26 -1.44 115.64 123.81 1uiu s THR 7 Ca 0.01 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1uiu s THR 7 Cb -0.07 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1uiu s THR 7 CO 0.01 0.57 0.00 0.35 -0.69 0.00 0.00 174.62 174.86 1uiu n THR 8 N 2.95 0.00 -4.04 -0.82 -2.24 0.08 0.07 114.28 110.28 1uiu n THR 8 Ca -0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 1uiu n THR 8 Cb 0.52 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1uiu n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uiu s ALA 9 N -2.00 0.36 -0.01 6.98 0.00 -1.26 -0.92 121.76 124.91 1uiu s ALA 9 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1uiu s ALA 9 Cb 0.00 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.35 1uiu s ALA 9 CO 0.00 -0.27 0.27 -0.46 0.00 0.00 0.00 175.76 175.30 1uiu s TRP 10 N -2.81 -0.13 0.52 0.00 -0.11 -0.28 -4.88 118.94 111.24 1uiu s TRP 10 Ca -0.03 0.18 0.26 0.00 1.22 0.00 0.00 56.10 57.72 1uiu s TRP 10 Cb -0.00 0.07 1.56 0.00 -1.50 0.00 0.00 33.47 33.59 1uiu s TRP 10 CO -0.06 -0.37 2.16 -1.35 -4.62 0.00 0.00 176.95 172.71 1uiu h PRO 11 N 3.94 0.00 -4.33 5.86 0.11 -1.87 0.64 132.00 136.36 1uiu h PRO 11 Ca -0.30 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.63 1uiu h PRO 11 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1uiu h PRO 11 CO 0.40 0.06 -0.54 0.54 -0.21 0.00 0.00 178.00 178.25 1uiu s VAL 12 N -4.57 0.05 0.83 3.15 0.11 -1.26 -3.81 120.40 114.90 1uiu s VAL 12 Ca -0.04 -1.81 -0.11 0.00 -2.93 0.00 0.00 61.98 57.08 1uiu s VAL 12 Cb 0.15 -2.18 0.10 0.00 -1.53 0.00 0.00 36.38 32.91 1uiu s VAL 12 CO 0.59 -0.24 1.14 0.20 -3.33 0.00 0.00 175.10 173.47 1uiu s ASN 13 N -3.07 3.66 0.47 3.54 0.01 -1.26 -4.83 114.94 113.46 1uiu s ASN 13 Ca 0.28 2.13 0.32 0.00 -0.71 0.00 0.00 52.86 54.88 1uiu s ASN 13 Cb 0.06 -2.56 1.62 0.00 0.41 0.00 0.00 41.25 40.78 1uiu s ASN 13 CO 0.06 -2.61 1.97 1.62 -1.51 0.00 0.00 177.10 176.63 1uiu h VAL 14 N -1.28 0.00 0.00 1.60 3.04 -1.93 -3.44 116.25 114.24 1uiu h VAL 14 Ca -0.44 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1uiu h VAL 14 Cb 1.26 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1uiu h VAL 14 CO 0.46 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.63 1uiu n GLY 15 N -0.85 -2.60 0.00 3.17 0.00 -1.25 -1.39 105.19 102.26 1uiu n GLY 15 Ca -0.01 -1.68 0.09 0.00 0.00 0.00 0.00 46.02 44.42 1uiu n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uiu n PRO 16 N -0.47 0.29 -3.70 1.61 -0.04 -1.26 -4.92 135.00 126.51 1uiu n PRO 16 Ca 0.00 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 1uiu n PRO 16 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1uiu n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1uiu n LEU 17 N -1.27 -3.12 -4.68 1.53 4.77 -1.26 -4.60 117.00 108.37 1uiu n LEU 17 Ca 0.09 -0.90 -0.43 0.00 -0.03 0.00 0.00 56.01 54.75 1uiu n LEU 17 Cb 0.15 -2.57 -0.02 0.00 -2.33 0.00 0.00 43.42 38.65 1uiu n LEU 17 CO 0.14 0.40 0.85 0.21 -1.33 0.00 0.00 177.39 177.66 1uiu s ASN 18 N -4.03 7.18 0.20 -1.43 3.84 -1.26 -4.71 114.94 114.72 1uiu s ASN 18 Ca 0.17 1.51 0.25 0.00 0.21 0.00 0.00 52.86 55.00 1uiu s ASN 18 Cb -0.05 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 39.00 1uiu s ASN 18 CO 0.83 -0.53 1.74 -0.81 -2.79 0.00 0.00 177.10 175.55 1uiu n PRO 19 N 5.46 0.20 -0.14 0.43 -0.04 -1.26 -3.41 135.00 136.23 1uiu n PRO 19 Ca 0.10 0.28 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 1uiu n PRO 19 Cb 0.48 -1.78 0.15 0.00 -0.04 0.00 0.00 33.50 32.30 1uiu n PRO 19 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1uiu n HIS 20 N -2.14 0.37 -4.77 0.54 8.25 -1.26 -4.56 115.22 111.65 1uiu n HIS 20 Ca 0.04 -0.28 -0.33 0.00 -0.26 0.00 0.00 57.72 56.89 1uiu n HIS 20 Cb 0.33 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.35 1uiu n HIS 20 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uiu s LEU 21 N -1.14 2.27 0.00 2.41 1.43 -1.22 -4.88 118.68 117.55 1uiu s LEU 21 Ca 0.26 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1uiu s LEU 21 Cb 0.15 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.65 1uiu s LEU 21 CO 0.21 -0.87 0.00 -1.22 0.23 0.00 0.00 176.35 174.70 1uiu n TYR 22 N -1.27 0.00 -1.66 0.29 4.02 -1.26 -4.84 117.16 112.43 1uiu n TYR 22 Ca -0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.26 1uiu n TYR 22 Cb 0.67 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.98 1uiu n TYR 22 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1uiu n THR 23 N 0.00 1.95 1.33 -0.72 5.66 -1.26 0.09 114.28 121.33 1uiu n THR 23 Ca 0.00 -0.49 0.07 0.00 -3.05 0.00 0.00 64.05 60.59 1uiu n THR 23 Cb 0.00 -1.37 0.28 0.00 -1.55 0.00 0.00 70.33 67.68 1uiu n THR 23 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1uiu n PRO 24 N 0.67 1.55 -1.83 1.09 -0.04 -1.26 -5.09 135.00 130.10 1uiu n PRO 24 Ca 0.07 -0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 62.27 1uiu n PRO 24 Cb 0.34 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 1uiu n PRO 24 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1uiu s ASN 25 N -1.30 6.48 -0.17 3.54 0.01 0.11 -3.95 114.94 119.67 1uiu s ASN 25 Ca 0.24 2.74 -0.18 0.00 -0.71 0.00 0.00 52.86 54.95 1uiu s ASN 25 Cb 0.13 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 1uiu s ASN 25 CO 0.18 -0.90 0.49 -1.10 -1.51 0.00 0.00 177.10 174.26 1uiu s GLN 26 N 1.29 4.24 0.19 -0.60 -1.52 -0.49 -4.87 119.66 117.91 1uiu s GLN 26 Ca 0.73 0.40 -0.11 0.00 -1.95 0.00 0.00 55.36 54.43 1uiu s GLN 26 Cb -0.46 -3.52 0.20 0.00 -0.22 0.00 0.00 33.01 29.01 1uiu s GLN 26 CO 0.32 -0.04 1.78 0.52 -0.25 0.00 0.00 175.29 177.62 1uiu h MET 27 N 7.21 0.50 -0.64 2.91 2.86 -1.91 -1.19 114.93 124.67 1uiu h MET 27 Ca -0.36 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.28 1uiu h MET 27 Cb 1.16 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 1uiu h MET 27 CO 0.74 0.33 0.43 0.27 1.06 0.00 0.00 176.91 179.74 1uiu h PHE 28 N 0.51 0.74 -0.05 -0.22 -0.00 -1.94 -1.88 116.94 114.10 1uiu h PHE 28 Ca 0.26 0.02 -0.24 0.00 -0.00 0.00 0.00 57.97 58.01 1uiu h PHE 28 Cb 0.22 -0.25 0.01 0.00 -0.00 0.00 0.00 35.95 35.93 1uiu h PHE 28 CO -0.12 0.44 -0.93 0.00 -0.00 0.00 0.00 178.31 177.70 1uiu h ALA 29 N 1.62 0.25 -1.01 12.09 0.00 -1.60 -2.37 119.26 128.26 1uiu h ALA 29 Ca 0.26 -0.67 0.07 0.00 0.00 0.00 0.00 54.91 54.57 1uiu h ALA 29 Cb 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1uiu h ALA 29 CO -0.07 0.72 0.65 1.96 0.00 0.00 0.00 179.25 182.51 1uiu h GLN 30 N 0.40 1.14 0.00 0.00 4.20 -1.00 -2.55 115.11 117.29 1uiu h GLN 30 Ca -0.09 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 1uiu h GLN 30 Cb 1.57 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1uiu h GLN 30 CO 0.18 0.75 -0.27 0.77 -0.67 0.00 0.00 178.83 179.59 1uiu h SER 31 N 1.17 0.00 -0.22 1.46 0.02 -1.22 0.34 113.55 115.09 1uiu h SER 31 Ca 0.44 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.28 1uiu h SER 31 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1uiu h SER 31 CO -0.18 0.27 -0.22 0.24 -1.14 0.00 0.00 176.83 175.81 1uiu h MET 32 N 0.00 0.68 0.00 3.45 2.86 -1.01 -3.37 114.93 117.54 1uiu h MET 32 Ca -0.00 -0.26 -0.37 0.00 -2.06 0.00 0.00 59.70 57.01 1uiu h MET 32 Cb 0.79 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.34 1uiu h MET 32 CO 0.03 0.84 -2.39 0.28 1.06 0.00 0.00 176.91 176.73 1uiu n VAL 33 N -4.12 1.40 -4.18 -2.22 0.31 -1.07 -2.87 118.33 105.58 1uiu n VAL 33 Ca 0.00 -0.55 -0.25 0.00 -0.01 0.00 0.00 64.34 63.53 1uiu n VAL 33 Cb 0.41 -1.33 -0.07 0.00 -0.91 0.00 0.00 33.84 31.95 1uiu n VAL 33 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1uiu s TYR 34 N -2.49 2.92 0.06 3.52 1.51 0.12 -0.84 117.35 122.15 1uiu s TYR 34 Ca -0.32 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1uiu s TYR 34 Cb 0.08 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1uiu s TYR 34 CO 0.58 0.54 -0.11 -1.21 -1.11 0.00 0.00 175.55 174.23 1uiu s GLU 35 N -3.22 0.72 0.50 -0.62 2.02 -1.26 -4.48 118.70 112.36 1uiu s GLU 35 Ca 0.30 -0.91 0.04 0.00 0.02 0.00 0.00 54.97 54.42 1uiu s GLU 35 Cb -0.09 -0.60 0.03 0.00 0.10 0.00 0.00 34.13 33.57 1uiu s GLU 35 CO 0.21 0.12 0.70 -1.25 0.02 0.00 0.00 175.26 175.05 1uiu s PRO 36 N -1.81 2.63 0.53 0.39 0.04 -1.26 -3.44 135.00 132.08 1uiu s PRO 36 Ca -0.04 -1.02 0.25 0.00 0.04 0.00 0.00 61.00 60.23 1uiu s PRO 36 Cb -0.09 -2.60 1.49 0.00 0.04 0.00 0.00 34.50 33.34 1uiu s PRO 36 CO 0.01 -0.56 2.13 -0.07 0.04 0.00 0.00 177.00 178.56 1uiu h LEU 37 N 0.30 0.00 -7.09 -3.56 3.38 -1.81 -2.83 115.31 103.70 1uiu h LEU 37 Ca -0.41 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 1uiu h LEU 37 Cb 1.29 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.83 1uiu h LEU 37 CO 0.48 0.08 0.06 0.54 0.09 0.00 0.00 178.44 179.69 1uiu s VAL 38 N -4.48 0.00 -0.11 1.22 0.11 -1.26 -0.19 120.40 115.69 1uiu s VAL 38 Ca -0.04 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1uiu s VAL 38 Cb 0.14 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1uiu s VAL 38 CO 0.60 -0.02 -0.15 -0.75 -3.33 0.00 0.00 175.10 171.45 1uiu s LYS 39 N -0.22 3.19 0.52 1.54 2.20 -0.09 -4.20 119.74 122.68 1uiu s LYS 39 Ca -0.04 -0.71 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 1uiu s LYS 39 Cb -0.03 -2.54 -0.06 0.00 -1.51 0.00 0.00 37.83 33.69 1uiu s LYS 39 CO 0.04 0.28 1.26 -0.47 -0.36 0.00 0.00 175.35 176.09 1uiu s TYR 40 N 0.16 2.53 0.22 4.03 5.04 -1.26 -1.50 117.35 126.57 1uiu s TYR 40 Ca -0.08 1.46 0.12 0.00 -2.44 0.00 0.00 57.07 56.13 1uiu s TYR 40 Cb -0.15 -3.58 -0.05 0.00 0.35 0.00 0.00 41.96 38.53 1uiu s TYR 40 CO 0.05 -2.24 -0.23 -0.65 -1.34 0.00 0.00 175.55 171.14 1uiu s GLN 41 N -2.91 1.58 0.47 4.97 -1.52 0.97 -4.79 119.66 118.43 1uiu s GLN 41 Ca 0.70 -1.61 0.15 0.00 -1.95 0.00 0.00 55.36 52.65 1uiu s GLN 41 Cb -0.34 -1.82 1.13 0.00 -0.22 0.00 0.00 33.01 31.75 1uiu s GLN 41 CO 0.40 0.38 2.05 0.00 -0.25 0.00 0.00 175.29 177.87 1uiu h ALA 42 N 2.89 2.02 0.00 6.09 0.00 -1.90 -2.45 119.26 125.91 1uiu h ALA 42 Ca -0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1uiu h ALA 42 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1uiu h ALA 42 CO 0.52 -0.09 -0.26 0.38 0.00 0.00 0.00 179.25 179.80 1uiu h ASP 43 N 0.25 0.00 0.00 0.00 2.03 -1.96 -3.46 116.42 113.27 1uiu h ASP 43 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1uiu h ASP 43 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1uiu h ASP 43 CO -0.03 0.26 0.00 0.61 -1.03 0.00 0.00 179.24 179.05 1uiu n GLY 44 N 0.60 1.34 3.50 7.15 0.00 -0.92 -4.70 105.19 112.16 1uiu n GLY 44 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1uiu n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uiu n SER 45 N 0.00 2.45 -4.23 1.61 3.41 -1.26 -4.91 113.62 110.69 1uiu n SER 45 Ca 0.00 -2.66 -0.16 0.00 -0.26 0.00 0.00 58.87 55.80 1uiu n SER 45 Cb 0.00 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.73 1uiu n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1uiu s VAL 46 N -2.45 1.20 0.24 -3.33 1.01 -1.26 -0.02 120.40 115.79 1uiu s VAL 46 Ca 0.35 -1.83 0.09 0.00 0.00 0.00 0.00 61.98 60.58 1uiu s VAL 46 Cb -0.03 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1uiu s VAL 46 CO 0.22 -0.57 -0.15 0.27 0.00 0.00 0.00 175.10 174.87 1uiu s ILE 47 N -2.64 2.01 0.57 2.22 -4.36 -0.56 -4.93 121.20 113.51 1uiu s ILE 47 Ca 0.11 -2.27 -0.19 0.00 -0.26 0.00 0.00 60.65 58.03 1uiu s ILE 47 Cb -0.02 -2.20 -0.06 0.00 1.25 0.00 0.00 42.46 41.43 1uiu s ILE 47 CO 0.02 -0.48 0.95 -2.65 0.24 0.00 0.00 174.94 173.01 1uiu n PRO 48 N -0.50 0.96 0.00 0.37 -0.02 -1.26 -0.91 135.00 133.64 1uiu n PRO 48 Ca -0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1uiu n PRO 48 Cb 0.61 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1uiu n PRO 48 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1uiu n TRP 49 N -1.52 0.00 0.23 6.00 -0.00 -0.80 -4.50 117.44 116.86 1uiu n TRP 49 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.70 1uiu n TRP 49 Cb 0.46 0.00 0.57 0.00 -0.00 0.00 0.00 31.31 32.34 1uiu n TRP 49 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1uiu h LEU 50 N 0.00 0.00 -9.18 5.87 3.38 -1.19 -3.37 115.31 110.82 1uiu h LEU 50 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1uiu h LEU 50 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1uiu h LEU 50 CO 0.00 0.16 -0.12 0.00 0.09 0.00 0.00 178.44 178.57 1uiu s ALA 51 N -4.55 3.53 0.05 1.53 0.00 0.73 -2.06 121.76 120.99 1uiu s ALA 51 Ca -0.04 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1uiu s ALA 51 Cb 0.15 -2.71 -0.22 0.00 0.00 0.00 0.00 23.12 20.35 1uiu s ALA 51 CO 0.67 -0.28 1.18 0.87 0.00 0.00 0.00 175.76 178.20 1uiu h LYS 52 N 7.24 0.59 -3.84 0.00 1.57 -0.05 -3.41 116.57 118.67 1uiu h LYS 52 Ca -0.36 -0.58 -0.22 0.00 -1.87 0.00 0.00 60.65 57.61 1uiu h LYS 52 Cb 1.16 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.57 1uiu h LYS 52 CO 0.74 1.20 -0.06 -1.54 -0.57 0.00 0.00 179.45 179.22 1uiu s SER 53 N -6.99 0.75 0.12 0.86 1.04 -0.86 -4.79 113.70 103.84 1uiu s SER 53 Ca -0.11 -1.43 -0.22 0.00 0.48 0.00 0.00 55.95 54.66 1uiu s SER 53 Cb 0.06 0.73 0.06 0.00 0.10 0.00 0.00 66.02 66.96 1uiu s SER 53 CO 0.87 -1.43 0.55 -1.66 0.98 0.00 0.00 173.24 172.55 1uiu s TRP 54 N -2.76 -0.46 0.17 5.02 -2.14 -1.26 0.12 118.94 117.64 1uiu s TRP 54 Ca 0.27 0.31 0.02 0.00 2.66 0.00 0.00 56.10 59.35 1uiu s TRP 54 Cb -0.02 0.45 0.02 0.00 -3.10 0.00 0.00 33.47 30.82 1uiu s TRP 54 CO 0.19 -0.77 0.13 0.25 -2.66 0.00 0.00 176.95 174.09 1uiu n THR 55 N -0.15 0.00 -2.88 0.66 -2.24 -0.23 -4.97 114.28 104.47 1uiu n THR 55 Ca -0.17 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1uiu n THR 55 Cb 0.63 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1uiu n THR 55 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1uiu n HIS 56 N -0.92 0.00 -1.44 4.78 -0.00 -1.26 -3.80 115.22 112.57 1uiu n HIS 56 Ca -0.01 0.00 -0.49 0.00 0.46 0.00 0.00 57.72 57.68 1uiu n HIS 56 Cb 0.20 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.99 1uiu n HIS 56 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1uiu n SER 57 N 0.00 1.89 0.02 0.26 2.88 -1.26 -4.63 113.62 112.79 1uiu n SER 57 Ca 0.00 0.33 -0.10 0.00 -1.33 0.00 0.00 58.87 57.77 1uiu n SER 57 Cb 0.00 -1.23 -0.08 0.00 -0.75 0.00 0.00 64.21 62.15 1uiu n SER 57 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1uiu h GLU 58 N 12.72 -0.15 0.00 -1.46 3.07 -1.95 -3.41 114.58 123.41 1uiu h GLU 58 Ca -0.24 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1uiu h GLU 58 Cb 1.32 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1uiu h GLU 58 CO 1.07 0.32 -1.44 -3.47 -1.40 0.00 0.00 179.01 174.09 1uiu n ASP 59 N -4.86 2.81 0.00 1.42 2.03 -1.26 -4.93 116.55 111.75 1uiu n ASP 59 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1uiu n ASP 59 Cb 0.27 1.43 0.00 0.00 -0.72 0.00 0.00 41.12 42.10 1uiu n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uiu n GLY 60 N 1.96 1.59 0.29 0.27 0.00 -1.26 -4.97 105.19 103.07 1uiu n GLY 60 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1uiu n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uiu n LYS 61 N 0.00 0.63 -5.16 1.61 2.85 -1.26 -4.70 118.16 112.13 1uiu n LYS 61 Ca 0.00 -1.72 -0.30 0.00 -1.05 0.00 0.00 58.31 55.23 1uiu n LYS 61 Cb 0.00 -0.97 -0.16 0.00 -0.65 0.00 0.00 35.03 33.25 1uiu n LYS 61 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1uiu s THR 62 N -1.34 1.91 -0.02 0.58 -1.32 -1.26 0.91 115.64 115.10 1uiu s THR 62 Ca 0.15 -0.98 0.04 0.00 -1.21 0.00 0.00 61.69 59.69 1uiu s THR 62 Cb 0.13 -1.63 -0.01 0.00 -1.51 0.00 0.00 72.50 69.49 1uiu s THR 62 CO 0.01 0.53 -0.15 0.26 -2.21 0.00 0.00 174.62 173.07 1uiu s TRP 63 N -0.05 1.43 -0.25 9.09 0.52 0.51 -4.13 118.94 126.06 1uiu s TRP 63 Ca -0.06 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.74 1uiu s TRP 63 Cb -0.14 -0.95 0.05 0.00 -1.15 0.00 0.00 33.47 31.28 1uiu s TRP 63 CO 0.04 -0.08 -0.10 0.99 0.02 0.00 0.00 176.95 177.82 1uiu s THR 64 N -0.14 2.36 -0.12 2.01 2.01 -1.25 0.05 115.64 120.57 1uiu s THR 64 Ca 0.01 -1.43 -0.15 0.00 0.31 0.00 0.00 61.69 60.44 1uiu s THR 64 Cb -0.08 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1uiu s THR 64 CO 0.00 0.07 0.35 -0.36 -0.69 0.00 0.00 174.62 173.99 1uiu s PHE 65 N 1.18 3.53 -0.31 4.92 0.08 0.50 -1.06 117.98 126.81 1uiu s PHE 65 Ca -0.05 0.74 -0.12 0.00 0.12 0.00 0.00 56.93 57.61 1uiu s PHE 65 Cb -0.19 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.87 1uiu s PHE 65 CO -0.06 0.32 0.23 0.99 -0.10 0.00 0.00 175.22 176.61 1uiu s THR 66 N 0.14 5.28 0.18 0.64 2.01 0.12 -1.19 115.64 122.83 1uiu s THR 66 Ca 0.20 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 1uiu s THR 66 Cb -0.14 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 1uiu s THR 66 CO 0.07 0.10 0.44 -0.76 -0.69 0.00 0.00 174.62 173.79 1uiu s LEU 67 N 1.78 4.22 0.87 4.42 1.43 0.20 0.56 118.68 132.15 1uiu s LEU 67 Ca 0.07 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 53.74 1uiu s LEU 67 Cb -0.17 -3.44 0.07 0.00 0.03 0.00 0.00 46.19 42.69 1uiu s LEU 67 CO 0.11 -0.01 0.87 0.54 0.23 0.00 0.00 176.35 178.08 1uiu n ARG 68 N -0.11 -0.13 0.00 1.70 1.74 -0.87 -4.72 116.66 114.27 1uiu n ARG 68 Ca -0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1uiu n ARG 68 Cb 0.52 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1uiu n ARG 68 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1uiu n ASP 69 N -2.61 1.02 -0.50 0.55 5.75 -1.26 -4.61 116.55 114.89 1uiu n ASP 69 Ca 0.11 -1.22 0.07 0.00 -0.01 0.00 0.00 54.79 53.74 1uiu n ASP 69 Cb 0.52 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.64 1uiu n ASP 69 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1uiu n ASP 70 N -0.11 1.97 -4.72 -1.12 5.75 -1.26 -5.00 116.55 112.05 1uiu n ASP 70 Ca 0.00 -1.48 -0.41 0.00 -0.01 0.00 0.00 54.79 52.89 1uiu n ASP 70 Cb 0.12 0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 40.36 1uiu n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1uiu s VAL 71 N -1.48 4.77 -0.04 2.12 0.11 -1.26 -4.90 120.40 119.72 1uiu s VAL 71 Ca 0.16 1.89 0.05 0.00 -2.93 0.00 0.00 61.98 61.14 1uiu s VAL 71 Cb 0.12 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.71 1uiu s VAL 71 CO 0.26 0.25 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.58 1uiu s LYS 72 N 0.51 2.41 1.01 1.54 -0.14 -1.26 -1.42 119.74 122.39 1uiu s LYS 72 Ca 0.46 -0.75 -0.11 0.00 -1.36 0.00 0.00 55.97 54.21 1uiu s LYS 72 Cb -0.21 -2.31 0.19 0.00 -1.68 0.00 0.00 37.83 33.82 1uiu s LYS 72 CO 0.26 0.61 1.04 1.19 -0.76 0.00 0.00 175.35 177.69 1uiu n PHE 73 N 2.29 -0.01 0.47 3.18 3.01 0.54 -4.63 117.46 122.31 1uiu n PHE 73 Ca -0.17 0.20 0.10 0.00 1.01 0.00 0.00 57.45 58.59 1uiu n PHE 73 Cb 0.52 -1.88 0.42 0.00 -0.01 0.00 0.00 39.48 38.53 1uiu n PHE 73 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1uiu n SER 74 N -4.30 0.38 -0.93 4.37 3.41 -0.04 -1.23 113.62 115.28 1uiu n SER 74 Ca 0.08 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 1uiu n SER 74 Cb 0.53 -0.67 0.23 0.00 -0.26 0.00 0.00 64.21 64.04 1uiu n SER 74 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1uiu n ASN 75 N -1.92 2.70 0.00 4.04 2.04 -1.26 -4.94 115.26 115.92 1uiu n ASN 75 Ca 0.03 -1.99 0.00 0.00 -0.44 0.00 0.00 54.58 52.18 1uiu n ASN 75 Cb 0.22 -0.33 0.00 0.00 -2.53 0.00 0.00 39.78 37.14 1uiu n ASN 75 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1uiu n GLY 76 N 1.31 2.46 3.76 4.83 0.00 -0.37 -5.04 105.19 112.13 1uiu n GLY 76 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1uiu n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uiu s GLU 77 N -0.21 2.96 0.17 1.61 2.02 -1.26 -4.74 118.70 119.25 1uiu s GLU 77 Ca 0.00 1.68 -0.26 0.00 0.02 0.00 0.00 54.97 56.42 1uiu s GLU 77 Cb 0.00 -1.94 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 1uiu s GLU 77 CO 0.00 -1.18 0.79 -1.25 0.02 0.00 0.00 175.26 173.64 1uiu s PRO 78 N -3.51 4.59 -0.29 0.39 0.04 -1.26 -0.34 135.00 134.62 1uiu s PRO 78 Ca 0.74 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1uiu s PRO 78 Cb -0.27 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1uiu s PRO 78 CO 0.34 0.56 0.96 0.12 0.04 0.00 0.00 177.00 179.02 1uiu s PHE 79 N -1.12 3.22 0.23 0.56 5.36 -0.51 -4.76 117.98 120.96 1uiu s PHE 79 Ca 0.36 1.13 0.06 0.00 -0.96 0.00 0.00 56.93 57.52 1uiu s PHE 79 Cb -0.23 -3.41 -0.05 0.00 -0.34 0.00 0.00 43.02 38.99 1uiu s PHE 79 CO 0.27 -0.62 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.82 1uiu s ASP 80 N 1.52 2.38 0.45 6.13 1.01 -1.26 -4.72 116.67 122.18 1uiu s ASP 80 Ca 0.40 -1.12 0.24 0.00 0.71 0.00 0.00 52.55 52.78 1uiu s ASP 80 Cb -0.14 -0.10 1.02 0.00 1.01 0.00 0.00 42.92 44.72 1uiu s ASP 80 CO 0.12 -0.32 1.88 0.00 0.21 0.00 0.00 175.17 177.06 1uiu h ALA 81 N 2.48 1.10 -0.28 5.23 0.00 -1.61 -0.95 119.26 125.22 1uiu h ALA 81 Ca -0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1uiu h ALA 81 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1uiu h ALA 81 CO 0.64 0.28 0.13 1.49 0.00 0.00 0.00 179.25 181.80 1uiu h GLU 82 N 0.00 0.41 -0.66 0.00 4.22 -1.84 0.37 114.58 117.08 1uiu h GLU 82 Ca -0.00 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.32 1uiu h GLU 82 Cb 0.65 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1uiu h GLU 82 CO 0.03 0.40 0.18 0.00 -2.18 0.00 0.00 179.01 177.44 1uiu h ALA 83 N 0.99 0.87 0.06 2.92 0.00 -1.74 -0.04 119.26 122.31 1uiu h ALA 83 Ca 0.10 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1uiu h ALA 83 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1uiu h ALA 83 CO -0.01 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.65 1uiu h ALA 84 N 1.07 -0.23 -0.85 0.00 0.00 -0.90 -1.82 119.26 116.54 1uiu h ALA 84 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1uiu h ALA 84 Cb 0.33 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1uiu h ALA 84 CO -0.00 -0.66 0.56 0.00 0.00 0.00 0.00 179.25 179.15 1uiu h ALA 85 N 0.61 1.41 -0.58 0.00 0.00 0.01 -1.81 119.26 118.90 1uiu h ALA 85 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1uiu h ALA 85 Cb 0.32 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1uiu h ALA 85 CO -0.11 0.54 0.33 0.93 0.00 0.00 0.00 179.25 180.94 1uiu h GLU 86 N 1.13 0.62 -0.48 0.00 4.39 -0.75 -0.98 114.58 118.51 1uiu h GLU 86 Ca 0.32 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1uiu h GLU 86 Cb -0.10 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1uiu h GLU 86 CO -0.07 0.41 0.28 -0.91 -1.16 0.00 0.00 179.01 177.55 1uiu h ASN 87 N 0.64 0.59 -0.68 1.42 4.21 -0.72 -0.56 115.58 120.49 1uiu h ASN 87 Ca 0.24 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 1uiu h ASN 87 Cb 0.08 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 1uiu h ASN 87 CO -0.13 0.50 0.39 -0.26 -1.29 0.00 0.00 177.43 176.63 1uiu h PHE 88 N 0.64 0.91 -0.46 1.19 0.04 -1.05 -0.62 116.94 117.60 1uiu h PHE 88 Ca 0.17 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.95 1uiu h PHE 88 Cb 0.03 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 1uiu h PHE 88 CO -0.02 0.64 0.27 -0.09 -0.60 0.00 0.00 178.31 178.50 1uiu h ARG 89 N 0.92 0.52 -0.48 1.51 2.43 -0.98 0.36 114.38 118.66 1uiu h ARG 89 Ca 0.24 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1uiu h ARG 89 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1uiu h ARG 89 CO -0.04 0.35 0.04 0.00 -1.51 0.00 0.00 179.97 178.80 1uiu h ALA 90 N 1.21 1.16 -0.12 2.80 0.00 -0.70 0.43 119.26 124.04 1uiu h ALA 90 Ca 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1uiu h ALA 90 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1uiu h ALA 90 CO -0.09 0.55 -0.11 0.28 0.00 0.00 0.00 179.25 179.88 1uiu h VAL 91 N 0.74 1.35 0.00 0.00 2.07 -0.76 -3.20 116.25 116.44 1uiu h VAL 91 Ca 0.15 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1uiu h VAL 91 Cb 0.39 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1uiu h VAL 91 CO 0.01 0.36 0.00 -0.07 0.02 0.00 0.00 177.57 177.89 1uiu h LEU 92 N -0.10 0.00 -2.38 2.57 3.38 -0.72 -1.78 115.31 116.27 1uiu h LEU 92 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1uiu h LEU 92 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1uiu h LEU 92 CO 0.03 0.00 0.09 0.44 0.09 0.00 0.00 178.44 179.09 1uiu h ASP 93 N 0.00 0.00 -0.43 -0.43 3.32 -0.91 -0.77 116.42 117.20 1uiu h ASP 93 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1uiu h ASP 93 Cb 0.75 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.12 1uiu h ASP 93 CO 0.00 0.00 -0.25 -3.20 -1.72 0.00 0.00 179.24 174.07 1uiu n ASN 94 N -3.78 3.31 -0.36 6.45 4.05 -0.67 -4.91 115.26 119.35 1uiu n ASN 94 Ca -0.01 -3.81 0.05 0.00 0.45 0.00 0.00 54.58 51.26 1uiu n ASN 94 Cb 0.19 -0.58 0.13 0.00 1.23 0.00 0.00 39.78 40.75 1uiu n ASN 94 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1uiu h ARG 95 N 1.35 -0.00 -0.05 1.20 2.43 -1.09 -0.43 114.38 117.80 1uiu h ARG 95 Ca 0.25 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1uiu h ARG 95 Cb 1.45 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1uiu h ARG 95 CO 0.51 -0.00 0.08 1.96 -1.51 0.00 0.00 179.97 181.00 1uiu h GLN 96 N -0.00 0.00 0.00 0.20 1.08 -1.91 -0.42 115.11 114.06 1uiu h GLN 96 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1uiu h GLN 96 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1uiu h GLN 96 CO -1.02 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 176.86 1uiu h ARG 97 N 0.00 0.00 -0.44 1.46 2.47 -1.45 -3.23 114.38 113.19 1uiu h ARG 97 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1uiu h ARG 97 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1uiu h ARG 97 CO -0.00 0.00 0.00 0.72 0.56 0.00 0.00 179.97 181.25 1uiu n HIS 98 N -2.92 1.06 0.11 3.04 8.25 -0.18 -4.59 115.22 119.99 1uiu n HIS 98 Ca 0.04 -0.67 0.03 0.00 -0.26 0.00 0.00 57.72 56.86 1uiu n HIS 98 Cb 0.48 -0.22 0.40 0.00 1.12 0.00 0.00 29.99 31.77 1uiu n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uiu h ALA 99 N 2.80 1.52 -0.40 -1.41 0.00 -1.56 -0.20 119.26 120.02 1uiu h ALA 99 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1uiu h ALA 99 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1uiu h ALA 99 CO 0.17 0.34 0.71 0.11 0.00 0.00 0.00 179.25 180.59 1uiu h TRP 100 N 0.24 0.00 -3.24 0.00 5.08 -1.86 -3.39 115.95 112.78 1uiu h TRP 100 Ca 0.05 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.36 1uiu h TRP 100 Cb 0.34 0.00 -0.31 0.00 -3.00 0.00 0.00 29.16 26.19 1uiu h TRP 100 CO 0.01 0.00 -0.79 -1.17 -1.28 0.00 0.00 178.44 175.21 1uiu s LEU 101 N -6.34 2.53 0.40 0.11 0.20 -0.09 -5.03 118.68 110.47 1uiu s LEU 101 Ca -0.03 -0.53 0.15 0.00 0.69 0.00 0.00 54.13 54.42 1uiu s LEU 101 Cb 0.11 -1.61 0.86 0.00 -0.43 0.00 0.00 46.19 45.11 1uiu s LEU 101 CO 0.36 -0.01 1.88 -0.08 -0.29 0.00 0.00 176.35 178.21 1uiu h GLU 102 N 8.03 0.00 -0.85 1.98 4.57 -1.82 -1.33 114.58 125.16 1uiu h GLU 102 Ca -0.43 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 57.84 1uiu h GLU 102 Cb 1.15 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.66 1uiu h GLU 102 CO 0.62 0.31 0.49 1.25 -1.18 0.00 0.00 179.01 180.50 1uiu h LEU 103 N 0.00 0.71 -0.33 1.64 6.46 -1.94 0.52 115.31 122.36 1uiu h LEU 103 Ca -0.00 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1uiu h LEU 103 Cb 0.58 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1uiu h LEU 103 CO 0.04 0.40 0.16 0.00 -0.62 0.00 0.00 178.44 178.42 1uiu h ALA 104 N 1.46 0.40 -0.10 1.25 0.00 -1.46 -0.34 119.26 120.47 1uiu h ALA 104 Ca 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1uiu h ALA 104 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1uiu h ALA 104 CO -0.25 -0.22 0.04 -0.91 0.00 0.00 0.00 179.25 177.91 1uiu h ASN 105 N 0.34 0.15 -0.93 0.00 2.35 -1.47 -3.30 115.58 112.72 1uiu h ASN 105 Ca 0.14 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1uiu h ASN 105 Cb 0.05 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1uiu h ASN 105 CO -0.10 0.29 0.61 -0.61 -1.65 0.00 0.00 177.43 175.97 1uiu h GLN 106 N -0.01 1.16 -6.55 0.81 5.75 0.69 -3.45 115.11 113.52 1uiu h GLN 106 Ca 0.03 -0.07 -0.53 0.00 -0.15 0.00 0.00 58.65 57.94 1uiu h GLN 106 Cb 0.20 -0.26 0.03 0.00 1.07 0.00 0.00 27.48 28.51 1uiu h GLN 106 CO -0.00 0.77 0.87 0.42 -2.65 0.00 0.00 178.83 178.23 1uiu s ILE 107 N -6.10 2.92 -0.23 2.39 1.01 -0.20 -0.80 121.20 120.19 1uiu s ILE 107 Ca -0.13 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.17 1uiu s ILE 107 Cb 0.18 -3.39 -0.17 0.00 0.01 0.00 0.00 42.46 39.09 1uiu s ILE 107 CO 0.80 0.03 -0.16 0.52 0.00 0.00 0.00 174.94 176.13 1uiu n VAL 108 N 4.16 1.36 -3.61 2.92 0.31 0.26 -4.88 118.33 118.85 1uiu n VAL 108 Ca 0.14 -0.57 -0.15 0.00 -0.01 0.00 0.00 64.34 63.74 1uiu n VAL 108 Cb 0.40 -1.20 -0.07 0.00 -0.91 0.00 0.00 33.84 32.06 1uiu n VAL 108 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1uiu s ASP 109 N -6.15 -0.63 -0.04 4.52 -1.08 -1.21 -4.98 116.67 107.09 1uiu s ASP 109 Ca -0.28 0.97 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1uiu s ASP 109 Cb 0.08 0.92 0.02 0.00 -1.46 0.00 0.00 42.92 42.49 1uiu s ASP 109 CO 0.59 -0.40 -0.02 -0.69 0.52 0.00 0.00 175.17 175.17 1uiu s VAL 110 N -0.42 0.37 -0.03 1.11 1.01 -1.26 -1.55 120.40 119.63 1uiu s VAL 110 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1uiu s VAL 110 Cb -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1uiu s VAL 110 CO 0.05 0.20 0.10 -0.75 0.00 0.00 0.00 175.10 174.70 1uiu s LYS 111 N 1.14 0.18 -0.30 2.72 2.20 -0.99 -4.98 119.74 119.71 1uiu s LYS 111 Ca -0.08 0.03 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 1uiu s LYS 111 Cb -0.14 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.24 1uiu s LYS 111 CO -0.01 -0.03 0.41 0.00 -0.36 0.00 0.00 175.35 175.35 1uiu s ALA 112 N -0.23 3.53 -0.26 3.13 0.00 -1.26 -1.67 121.76 125.00 1uiu s ALA 112 Ca -0.03 -0.95 0.22 0.00 0.00 0.00 0.00 51.96 51.21 1uiu s ALA 112 Cb -0.02 -2.81 0.43 0.00 0.00 0.00 0.00 23.12 20.71 1uiu s ALA 112 CO 0.00 -0.89 1.63 -0.07 0.00 0.00 0.00 175.76 176.43 1uiu h LEU 113 N 8.76 0.00 -7.02 0.00 3.38 -1.82 -3.48 115.31 115.12 1uiu h LEU 113 Ca -0.30 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.02 1uiu h LEU 113 Cb 1.15 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 1uiu h LEU 113 CO 0.69 0.15 0.97 -0.94 0.09 0.00 0.00 178.44 179.40 1uiu s SER 114 N -6.22 -0.02 0.58 -0.43 1.04 -1.20 -4.96 113.70 102.50 1uiu s SER 114 Ca 0.05 -0.01 0.36 0.00 0.48 0.00 0.00 55.95 56.83 1uiu s SER 114 Cb 0.07 0.03 1.37 0.00 0.10 0.00 0.00 66.02 67.58 1uiu s SER 114 CO 0.67 -0.05 1.57 0.11 0.98 0.00 0.00 173.24 176.53 1uiu h LYS 115 N 2.00 0.00 0.00 4.02 1.57 -1.97 -2.59 116.57 119.60 1uiu h LYS 115 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1uiu h LYS 115 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1uiu h LYS 115 CO 0.24 0.00 -0.52 0.25 -0.57 0.00 0.00 179.45 178.85 1uiu n THR 116 N -3.70 0.00 -5.03 -0.16 -2.24 -1.26 -1.94 114.28 99.96 1uiu n THR 116 Ca 0.27 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 1uiu n THR 116 Cb 1.48 0.80 -0.15 0.00 -2.10 0.00 0.00 70.33 70.36 1uiu n THR 116 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1uiu s GLU 117 N -1.66 2.69 -0.03 -0.78 2.02 -0.98 0.60 118.70 120.56 1uiu s GLU 117 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1uiu s GLU 117 Cb 0.03 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.95 1uiu s GLU 117 CO 0.15 0.45 0.01 -1.17 0.02 0.00 0.00 175.26 174.72 1uiu s LEU 118 N -0.29 1.09 -0.24 1.80 2.96 -0.33 -2.25 118.68 121.42 1uiu s LEU 118 Ca 0.01 -0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 1uiu s LEU 118 Cb -0.13 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 1uiu s LEU 118 CO 0.03 -0.12 0.05 -1.58 -1.32 0.00 0.00 176.35 173.41 1uiu s GLN 119 N 1.09 3.62 -0.13 1.98 0.74 -0.67 -0.37 119.66 125.92 1uiu s GLN 119 Ca -0.09 -0.50 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 1uiu s GLN 119 Cb -0.13 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 1uiu s GLN 119 CO -0.02 -0.18 -0.11 0.42 -0.55 0.00 0.00 175.29 174.84 1uiu s ILE 120 N 1.57 3.21 0.02 -2.34 1.01 0.11 -2.33 121.20 122.45 1uiu s ILE 120 Ca 0.06 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1uiu s ILE 120 Cb -0.15 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1uiu s ILE 120 CO 0.03 0.52 -0.08 0.42 0.00 0.00 0.00 174.94 175.83 1uiu s THR 121 N 0.31 3.58 0.32 2.92 -4.23 -0.59 -0.36 115.64 117.58 1uiu s THR 121 Ca -0.09 -0.87 0.09 0.00 -1.18 0.00 0.00 61.69 59.64 1uiu s THR 121 Cb -0.15 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1uiu s THR 121 CO 0.05 0.35 0.08 -0.76 -0.54 0.00 0.00 174.62 173.79 1uiu s LEU 122 N -1.55 3.18 0.21 4.79 1.43 0.26 0.89 118.68 127.90 1uiu s LEU 122 Ca 0.18 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1uiu s LEU 122 Cb -0.11 -1.64 0.16 0.00 0.03 0.00 0.00 46.19 44.63 1uiu s LEU 122 CO 0.09 -0.21 1.50 0.11 0.23 0.00 0.00 176.35 178.07 1uiu h LYS 123 N 1.69 0.26 -2.89 1.70 1.57 -1.28 -3.44 116.57 114.19 1uiu h LYS 123 Ca -0.44 -0.21 0.09 0.00 -1.87 0.00 0.00 60.65 58.22 1uiu h LYS 123 Cb 1.25 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.54 1uiu h LYS 123 CO 0.63 0.85 0.27 -1.54 -0.57 0.00 0.00 179.45 179.09 1uiu s SER 124 N -6.92 -0.25 -0.66 0.86 1.04 -1.26 -5.07 113.70 101.43 1uiu s SER 124 Ca -0.04 -0.56 -0.25 0.00 0.48 0.00 0.00 55.95 55.58 1uiu s SER 124 Cb 0.11 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.97 1uiu s SER 124 CO 0.81 -1.27 1.09 0.00 0.98 0.00 0.00 173.24 174.85 1uiu s ALA 125 N -3.81 2.99 -0.41 5.32 0.00 -1.26 -4.81 121.76 119.78 1uiu s ALA 125 Ca 0.11 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 1uiu s ALA 125 Cb -0.05 -3.99 0.10 0.00 0.00 0.00 0.00 23.12 19.18 1uiu s ALA 125 CO 0.06 -2.87 0.22 -0.47 0.00 0.00 0.00 175.76 172.69 1uiu s TYR 126 N 4.68 3.49 0.43 0.00 5.04 -1.26 -4.07 117.35 125.66 1uiu s TYR 126 Ca 0.30 -2.13 0.09 0.00 -2.44 0.00 0.00 57.07 52.89 1uiu s TYR 126 Cb -0.12 -3.12 0.93 0.00 0.35 0.00 0.00 41.96 40.00 1uiu s TYR 126 CO 0.15 -0.94 2.05 0.10 -1.34 0.00 0.00 175.55 175.57 1uiu h TYR 127 N 8.17 0.45 0.00 4.97 -0.00 -1.28 -1.02 116.97 128.26 1uiu h TYR 127 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.57 1uiu h TYR 127 Cb 1.06 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 37.64 1uiu h TYR 127 CO 0.58 0.27 0.00 -2.30 -0.00 0.00 0.00 178.16 176.71 1uiu n PRO 128 N -4.48 0.75 -0.05 0.10 -0.02 -1.26 -4.31 135.00 125.73 1uiu n PRO 128 Ca 0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.49 1uiu n PRO 128 Cb 0.12 -1.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 1uiu n PRO 128 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1uiu h PHE 129 N 0.03 -0.35 -0.94 6.00 -0.00 -1.57 -1.41 116.94 118.70 1uiu h PHE 129 Ca 0.00 0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.03 1uiu h PHE 129 Cb 0.04 0.17 -0.06 0.00 -0.00 0.00 0.00 35.95 36.11 1uiu h PHE 129 CO 0.00 -0.09 0.61 -0.07 -0.00 0.00 0.00 178.31 178.76 1uiu h LEU 130 N -0.05 1.00 -1.77 0.59 4.07 -1.86 -0.50 115.31 116.79 1uiu h LEU 130 Ca 0.02 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1uiu h LEU 130 Cb 0.11 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 1uiu h LEU 130 CO -0.14 0.67 -0.16 1.56 -1.08 0.00 0.00 178.44 179.29 1uiu h GLN 131 N 1.15 0.00 0.06 1.13 4.20 -1.78 -1.48 115.11 118.39 1uiu h GLN 131 Ca 0.38 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.81 1uiu h GLN 131 Cb 0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1uiu h GLN 131 CO -0.14 0.16 -1.48 0.93 -0.67 0.00 0.00 178.83 177.64 1uiu h GLU 132 N 0.00 0.13 -0.42 1.46 5.08 -0.11 -3.15 114.58 117.57 1uiu h GLU 132 Ca -0.00 -0.22 0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1uiu h GLU 132 Cb 0.35 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1uiu h GLU 132 CO 0.02 0.94 0.30 -0.07 -1.00 0.00 0.00 179.01 179.20 1uiu h LEU 133 N 0.04 0.01 -0.11 1.33 3.38 -0.73 -2.80 115.31 116.44 1uiu h LEU 133 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1uiu h LEU 133 Cb 1.96 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1uiu h LEU 133 CO 0.13 0.01 -0.19 0.00 0.09 0.00 0.00 178.44 178.48 1uiu n ALA 134 N -2.62 2.86 -1.41 1.53 0.00 -0.60 -4.44 120.51 115.84 1uiu n ALA 134 Ca 0.07 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1uiu n ALA 134 Cb 0.49 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.71 1uiu n ALA 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uiu s LEU 135 N -2.78 3.36 0.34 0.00 1.43 -1.06 -4.60 118.68 115.37 1uiu s LEU 135 Ca 0.19 2.36 0.13 0.00 -1.03 0.00 0.00 54.13 55.78 1uiu s LEU 135 Cb 0.19 -4.59 0.98 0.00 0.03 0.00 0.00 46.19 42.80 1uiu s LEU 135 CO 0.56 -2.18 1.73 -0.65 0.23 0.00 0.00 176.35 176.04 1uiu h PRO 136 N -0.16 0.48 -2.93 1.29 0.11 -1.91 -3.43 132.00 125.45 1uiu h PRO 136 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1uiu h PRO 136 Cb 1.30 -0.11 -0.16 0.00 0.11 0.00 0.00 31.00 32.14 1uiu h PRO 136 CO 0.50 0.32 -0.03 -0.98 -0.21 0.00 0.00 178.00 177.60 1uiu s ARG 137 N -5.68 0.99 0.00 1.05 1.70 -1.26 -4.63 118.95 111.12 1uiu s ARG 137 Ca -0.10 -0.33 0.22 0.00 -0.47 0.00 0.00 55.73 55.06 1uiu s ARG 137 Cb 0.27 0.45 0.51 0.00 -0.57 0.00 0.00 34.95 35.60 1uiu s ARG 137 CO 0.80 -0.35 1.44 -0.35 -1.08 0.00 0.00 175.30 175.75 1uiu n PRO 138 N 0.40 2.29 -1.84 3.89 -0.04 -1.26 -5.02 135.00 133.43 1uiu n PRO 138 Ca -0.18 -1.95 -0.35 0.00 -0.04 0.00 0.00 63.50 60.98 1uiu n PRO 138 Cb 0.60 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1uiu n PRO 138 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1uiu n PHE 139 N 1.17 2.35 -4.70 0.54 3.01 -1.26 -4.50 117.46 114.07 1uiu n PHE 139 Ca 0.18 -2.25 -0.31 0.00 1.01 0.00 0.00 57.45 56.08 1uiu n PHE 139 Cb 0.53 -1.34 -0.08 0.00 -0.01 0.00 0.00 39.48 38.58 1uiu n PHE 139 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1uiu s ARG 140 N -2.83 2.14 -0.17 -1.08 0.52 -1.26 -4.59 118.95 111.68 1uiu s ARG 140 Ca 0.54 -2.36 0.01 0.00 -0.52 0.00 0.00 55.73 53.40 1uiu s ARG 140 Cb 0.36 -1.28 0.02 0.00 0.52 0.00 0.00 34.95 34.57 1uiu s ARG 140 CO -0.27 -0.41 -0.20 -0.06 0.02 0.00 0.00 175.30 174.38 1uiu s PHE 141 N -2.96 2.74 0.07 -0.53 0.40 -1.22 -4.89 117.98 111.59 1uiu s PHE 141 Ca 0.09 -1.50 0.04 0.00 -0.60 0.00 0.00 56.93 54.95 1uiu s PHE 141 Cb 0.01 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1uiu s PHE 141 CO 0.06 -0.72 0.02 -1.50 0.70 0.00 0.00 175.22 173.77 1uiu s ILE 142 N 1.11 4.19 -0.07 0.64 2.07 -1.26 -4.19 121.20 123.68 1uiu s ILE 142 Ca 0.00 -0.85 -0.36 0.00 -1.41 0.00 0.00 60.65 58.04 1uiu s ILE 142 Cb -0.14 -2.98 -0.13 0.00 0.13 0.00 0.00 42.46 39.34 1uiu s ILE 142 CO -0.08 0.17 1.74 0.00 -1.91 0.00 0.00 174.94 174.86 1uiu n ALA 143 N 0.70 0.56 0.30 1.50 0.00 -0.57 -4.87 120.51 118.13 1uiu n ALA 143 Ca -0.11 0.36 0.18 0.00 0.00 0.00 0.00 53.44 53.87 1uiu n ALA 143 Cb 0.52 -2.37 1.00 0.00 0.00 0.00 0.00 19.45 18.60 1uiu n ALA 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1uiu h PRO 144 N 7.69 0.00 -0.01 0.00 0.11 -1.93 0.12 132.00 138.00 1uiu h PRO 144 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1uiu h PRO 144 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uiu h PRO 144 CO 0.92 0.00 0.08 0.66 -0.21 0.00 0.00 178.00 179.46 1uiu h SER 145 N 0.00 0.00 -0.38 -2.05 4.64 -2.00 -1.99 113.55 111.77 1uiu h SER 145 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1uiu h SER 145 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1uiu h SER 145 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1uiu n GLN 146 N -3.08 2.36 -1.77 4.77 1.13 0.43 -4.92 117.38 116.30 1uiu n GLN 146 Ca -0.03 -2.06 -0.36 0.00 -1.94 0.00 0.00 57.00 52.61 1uiu n GLN 146 Cb 0.15 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.08 1uiu n GLN 146 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1uiu s PHE 147 N -1.51 2.15 -0.26 1.08 2.99 -0.75 -0.80 117.98 120.88 1uiu s PHE 147 Ca 0.38 1.51 -0.07 0.00 0.00 0.00 0.00 56.93 58.75 1uiu s PHE 147 Cb 0.22 -3.61 -0.02 0.00 0.00 0.00 0.00 43.02 39.60 1uiu s PHE 147 CO 0.30 -2.71 0.06 0.15 -0.00 0.00 0.00 175.22 173.02 1uiu s LYS 148 N -3.44 3.51 -1.44 0.44 1.02 -0.36 -4.65 119.74 114.83 1uiu s LYS 148 Ca 0.80 -0.57 -0.03 0.00 0.02 0.00 0.00 55.97 56.19 1uiu s LYS 148 Cb -0.35 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1uiu s LYS 148 CO 0.39 -0.25 0.55 0.09 -0.92 0.00 0.00 175.35 175.22 1uiu n ASN 149 N 4.90 -1.17 -0.68 2.83 4.13 -1.26 -1.63 115.26 122.38 1uiu n ASN 149 Ca -0.16 -0.96 -0.09 0.00 1.68 0.00 0.00 54.58 55.05 1uiu n ASN 149 Cb 0.51 -3.25 -0.04 0.00 -1.54 0.00 0.00 39.78 35.45 1uiu n ASN 149 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1uiu n HIS 150 N -4.40 0.00 -4.22 3.10 8.25 -1.26 -4.98 115.22 111.70 1uiu n HIS 150 Ca -0.23 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.10 1uiu n HIS 150 Cb 0.65 -2.04 -0.10 0.00 1.12 0.00 0.00 29.99 29.62 1uiu n HIS 150 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1uiu s GLU 151 N -2.51 1.11 0.00 -0.41 0.41 -0.65 -4.91 118.70 111.74 1uiu s GLU 151 Ca 0.00 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.01 1uiu s GLU 151 Cb 0.00 -0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.29 1uiu s GLU 151 CO 0.00 -0.22 0.00 0.25 -0.49 0.00 0.00 175.26 174.80 1uiu n THR 152 N -0.24 0.00 0.34 3.63 -2.24 -1.26 -1.22 114.28 113.29 1uiu n THR 152 Ca -0.04 -0.11 0.23 0.00 -2.27 0.00 0.00 64.05 61.85 1uiu n THR 152 Cb 0.64 0.59 1.21 0.00 -2.10 0.00 0.00 70.33 70.67 1uiu n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uiu h MET 153 N 0.00 0.00 -0.34 -0.78 -0.00 -1.94 -0.20 114.93 111.67 1uiu h MET 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1uiu h MET 153 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1uiu h MET 153 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 177.00 1uiu n ASN 154 N -3.05 3.13 0.00 -0.10 3.02 -1.26 -5.06 115.26 111.94 1uiu n ASN 154 Ca -0.03 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1uiu n ASN 154 Cb 0.07 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1uiu n ASN 154 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uiu n GLY 155 N 0.36 3.68 3.67 7.41 0.00 -0.09 -5.09 105.19 115.13 1uiu n GLY 155 Ca 0.14 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1uiu n GLY 155 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uiu s ILE 156 N -2.54 1.89 0.00 -0.61 -0.00 -1.26 -4.01 121.20 114.66 1uiu s ILE 156 Ca 0.00 -1.95 0.00 0.00 -0.00 0.00 0.00 60.65 58.70 1uiu s ILE 156 Cb 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 42.46 39.62 1uiu s ILE 156 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 174.94 175.23 1uiu n LYS 157 N -1.07 0.00 -3.90 0.37 5.02 0.02 -4.95 118.16 113.65 1uiu n LYS 157 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 1uiu n LYS 157 Cb 0.67 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.62 1uiu n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uiu s ALA 158 N -4.00 3.90 -1.28 7.82 0.00 -1.26 -5.00 121.76 121.95 1uiu s ALA 158 Ca 0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 1uiu s ALA 158 Cb 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 1uiu s ALA 158 CO 0.00 0.68 2.10 -0.35 0.00 0.00 0.00 175.76 178.19 1uiu n PRO 159 N 1.49 2.53 -3.16 0.00 -0.04 -1.26 -4.85 135.00 129.71 1uiu n PRO 159 Ca -0.16 -2.48 -0.44 0.00 -0.04 0.00 0.00 63.50 60.38 1uiu n PRO 159 Cb 0.54 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.71 1uiu n PRO 159 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1uiu s ILE 160 N 3.96 4.89 0.33 0.52 -1.09 -1.26 -4.77 121.20 123.78 1uiu s ILE 160 Ca 0.51 -0.77 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1uiu s ILE 160 Cb 0.13 -4.36 0.03 0.00 -1.58 0.00 0.00 42.46 36.68 1uiu s ILE 160 CO -0.02 -0.92 0.27 0.61 -1.23 0.00 0.00 174.94 173.66 1uiu n GLY 161 N 5.22 2.76 0.83 6.18 0.00 -1.26 -1.51 105.19 117.41 1uiu n GLY 161 Ca -0.08 -2.24 0.11 0.00 0.00 0.00 0.00 46.02 43.80 1uiu n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uiu n THR 162 N -1.33 0.00 -1.38 2.61 -2.24 -1.19 -0.86 114.28 109.90 1uiu n THR 162 Ca 0.00 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 1uiu n THR 162 Cb 0.37 1.43 0.22 0.00 -2.10 0.00 0.00 70.33 70.26 1uiu n THR 162 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uiu s GLY 163 N -1.88 1.65 0.00 3.38 0.00 -0.02 -4.62 107.32 105.83 1uiu s GLY 163 Ca 0.25 -1.02 0.20 0.00 0.00 0.00 0.00 44.72 44.14 1uiu s GLY 163 CO 0.30 -0.19 1.63 -1.55 0.00 0.00 0.00 173.10 173.29 1uiu n PRO 164 N -4.40 0.05 -4.23 2.90 -0.04 -1.24 -4.65 135.00 123.38 1uiu n PRO 164 Ca 0.14 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 1uiu n PRO 164 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 1uiu n PRO 164 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1uiu s TRP 165 N -2.93 1.50 -0.06 0.54 0.52 -1.14 -1.32 118.94 116.05 1uiu s TRP 165 Ca 0.11 -0.45 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1uiu s TRP 165 Cb 0.13 -0.82 -0.00 0.00 -1.15 0.00 0.00 33.47 31.62 1uiu s TRP 165 CO 0.35 0.14 -0.19 0.42 0.02 0.00 0.00 176.95 177.69 1uiu s ILE 166 N -1.34 1.58 -0.32 2.03 1.01 0.99 -4.31 121.20 120.84 1uiu s ILE 166 Ca 0.03 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 1uiu s ILE 166 Cb -0.09 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.01 1uiu s ILE 166 CO 0.03 0.45 1.34 -0.22 0.00 0.00 0.00 174.94 176.54 1uiu s LEU 167 N 0.21 3.81 -0.20 2.97 0.20 -1.26 -1.02 118.68 123.39 1uiu s LEU 167 Ca -0.09 1.13 -0.17 0.00 0.69 0.00 0.00 54.13 55.69 1uiu s LEU 167 Cb -0.14 -3.54 -0.13 0.00 -0.43 0.00 0.00 46.19 41.95 1uiu s LEU 167 CO 0.04 -1.17 -0.04 1.67 -0.29 0.00 0.00 176.35 176.57 1uiu n GLN 168 N 7.50 0.54 -3.80 1.98 7.27 -0.08 -4.97 117.38 125.81 1uiu n GLN 168 Ca 0.15 0.48 -0.13 0.00 0.07 0.00 0.00 57.00 57.58 1uiu n GLN 168 Cb 0.47 -1.66 -0.12 0.00 2.41 0.00 0.00 30.24 31.34 1uiu n GLN 168 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1uiu s GLU 169 N -2.40 0.24 0.00 3.69 2.12 -1.06 -4.99 118.70 116.30 1uiu s GLU 169 Ca -0.27 0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.37 1uiu s GLU 169 Cb 0.06 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 1uiu s GLU 169 CO 0.46 -0.03 -0.14 -1.12 -0.54 0.00 0.00 175.26 173.90 1uiu s SER 170 N 0.08 1.60 -0.16 -1.70 0.01 -1.26 0.35 113.70 112.61 1uiu s SER 170 Ca -0.00 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 1uiu s SER 170 Cb -0.02 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.13 1uiu s SER 170 CO 0.00 0.13 0.13 -0.75 0.41 0.00 0.00 173.24 173.15 1uiu s LYS 171 N -0.56 0.08 -0.37 12.44 2.20 -0.17 -4.99 119.74 128.36 1uiu s LYS 171 Ca 0.04 0.06 -0.42 0.00 -0.36 0.00 0.00 55.97 55.29 1uiu s LYS 171 Cb -0.06 -1.49 -0.19 0.00 -1.51 0.00 0.00 37.83 34.59 1uiu s LYS 171 CO 0.00 -0.62 1.38 -0.11 -0.36 0.00 0.00 175.35 175.64 1uiu n LEU 172 N 5.29 0.89 -0.95 5.43 -0.00 -1.26 -0.37 117.00 126.02 1uiu n LEU 172 Ca -0.06 1.10 -0.12 0.00 -0.00 0.00 0.00 56.01 56.93 1uiu n LEU 172 Cb 0.49 -0.83 -0.05 0.00 -0.00 0.00 0.00 43.42 43.04 1uiu n LEU 172 CO 0.09 -0.99 -0.11 0.59 -0.00 0.00 0.00 177.39 176.97 1uiu n ASN 173 N 3.23 -5.33 0.06 1.96 3.02 -1.26 -4.76 115.26 112.18 1uiu n ASN 173 Ca 0.27 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1uiu n ASN 173 Cb -0.03 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 1uiu n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uiu n GLN 174 N -1.03 0.00 -3.50 3.52 6.02 0.50 -4.77 117.38 118.12 1uiu n GLN 174 Ca -0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.78 1uiu n GLN 174 Cb 0.57 -0.40 -0.02 0.00 1.02 0.00 0.00 30.24 31.42 1uiu n GLN 174 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1uiu s TYR 175 N -2.00 -0.40 -0.04 1.08 -0.85 -0.66 -0.99 117.35 113.50 1uiu s TYR 175 Ca 0.00 0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.80 1uiu s TYR 175 Cb 0.00 0.56 -0.00 0.00 0.38 0.00 0.00 41.96 42.90 1uiu s TYR 175 CO 0.00 -0.72 -0.14 -0.51 -1.52 0.00 0.00 175.55 172.67 1uiu s ASP 176 N -2.64 1.75 -0.14 -0.18 1.01 -0.08 -1.00 116.67 115.39 1uiu s ASP 176 Ca 0.04 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.02 1uiu s ASP 176 Cb -0.01 -0.47 -0.01 0.00 1.01 0.00 0.00 42.92 43.44 1uiu s ASP 176 CO -0.09 0.12 -0.15 -0.69 0.21 0.00 0.00 175.17 174.56 1uiu s VAL 177 N 0.10 2.75 0.13 -1.27 1.01 0.15 -0.26 120.40 123.01 1uiu s VAL 177 Ca -0.03 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1uiu s VAL 177 Cb -0.10 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1uiu s VAL 177 CO 0.01 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.28 1uiu s PHE 178 N 0.59 2.93 0.11 5.22 0.40 0.72 -0.90 117.98 127.05 1uiu s PHE 178 Ca -0.09 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.22 1uiu s PHE 178 Cb -0.16 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1uiu s PHE 178 CO 0.03 0.49 -0.15 0.14 0.70 0.00 0.00 175.22 176.43 1uiu s VAL 179 N -1.50 1.38 0.23 -0.44 -7.23 -0.19 -0.99 120.40 111.66 1uiu s VAL 179 Ca 0.26 -1.61 -0.31 0.00 -1.81 0.00 0.00 61.98 58.51 1uiu s VAL 179 Cb -0.11 -1.46 -0.12 0.00 0.56 0.00 0.00 36.38 35.26 1uiu s VAL 179 CO 0.18 -0.31 1.68 -1.14 -0.31 0.00 0.00 175.10 175.21 1uiu n ARG 180 N 0.77 2.75 -2.07 4.82 0.63 -0.68 -0.01 116.66 122.86 1uiu n ARG 180 Ca -0.17 0.99 -0.40 0.00 -0.92 0.00 0.00 57.85 57.35 1uiu n ARG 180 Cb 0.56 -2.81 -0.03 0.00 0.45 0.00 0.00 32.46 30.63 1uiu n ARG 180 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1uiu s ASN 181 N 0.96 5.53 0.03 6.15 3.04 -0.43 -4.79 114.94 125.43 1uiu s ASN 181 Ca 0.72 0.58 0.24 0.00 0.04 0.00 0.00 52.86 54.44 1uiu s ASN 181 Cb -0.51 -2.53 1.01 0.00 -1.54 0.00 0.00 41.25 37.69 1uiu s ASN 181 CO 0.37 -2.12 1.77 -0.62 -3.04 0.00 0.00 177.10 173.46 1uiu n GLU 182 N 8.92 0.03 -0.56 0.43 -0.58 -1.26 -2.52 120.64 125.10 1uiu n GLU 182 Ca 0.20 0.11 0.08 0.00 -0.42 0.00 0.00 57.16 57.13 1uiu n GLU 182 Cb 0.50 -1.55 0.30 0.00 -0.57 0.00 0.00 31.44 30.13 1uiu n GLU 182 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1uiu n ASN 183 N -1.60 4.37 -4.75 1.62 3.02 -1.26 -5.04 115.26 111.61 1uiu n ASN 183 Ca 0.06 -2.95 -0.37 0.00 -0.03 0.00 0.00 54.58 51.28 1uiu n ASN 183 Cb 0.30 -0.57 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1uiu n ASN 183 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1uiu s TYR 184 N -2.73 2.29 0.21 3.10 5.04 -1.05 -4.75 117.35 119.46 1uiu s TYR 184 Ca 0.45 1.45 0.08 0.00 -2.44 0.00 0.00 57.07 56.61 1uiu s TYR 184 Cb 0.35 -3.68 0.12 0.00 0.35 0.00 0.00 41.96 39.10 1uiu s TYR 184 CO 0.11 -2.67 1.47 0.11 -1.34 0.00 0.00 175.55 173.23 1uiu h TRP 185 N 1.12 0.04 -0.49 4.97 5.08 -1.89 -3.46 115.95 121.33 1uiu h TRP 185 Ca -0.51 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.44 1uiu h TRP 185 Cb 1.31 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.46 1uiu h TRP 185 CO 0.45 0.80 0.00 0.41 -1.28 0.00 0.00 178.44 178.82 1uiu n GLY 186 N 0.70 2.09 3.75 11.11 0.00 -1.26 -5.05 105.19 116.53 1uiu n GLY 186 Ca -0.01 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1uiu n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uiu s GLU 187 N 4.46 4.33 -0.05 1.61 0.41 -1.26 -4.96 118.70 123.24 1uiu s GLU 187 Ca 0.00 2.20 -0.29 0.00 -0.41 0.00 0.00 54.97 56.47 1uiu s GLU 187 Cb 0.00 -3.12 -0.02 0.00 -1.78 0.00 0.00 34.13 29.20 1uiu s GLU 187 CO 0.00 -0.31 0.98 0.21 -0.49 0.00 0.00 175.26 175.65 1uiu s LYS 188 N -0.68 4.49 0.62 1.61 2.47 -1.26 -5.00 119.74 121.99 1uiu s LYS 188 Ca 0.56 1.38 -0.19 0.00 -1.56 0.00 0.00 55.97 56.16 1uiu s LYS 188 Cb -0.40 -3.49 -0.03 0.00 -1.46 0.00 0.00 37.83 32.45 1uiu s LYS 188 CO 0.44 -0.16 1.22 -2.30 0.16 0.00 0.00 175.35 174.71 1uiu n PRO 189 N 4.37 1.15 0.15 4.03 -0.02 -1.26 -4.92 135.00 138.49 1uiu n PRO 189 Ca 0.07 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1uiu n PRO 189 Cb 0.50 -2.44 0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1uiu n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uiu h ALA 190 N 0.66 0.72 -2.76 3.55 0.00 -1.80 -3.43 119.26 116.20 1uiu h ALA 190 Ca -0.50 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 1uiu h ALA 190 Cb 1.34 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1uiu h ALA 190 CO 0.53 0.00 -0.14 0.42 0.00 0.00 0.00 179.25 180.06 1uiu s ILE 191 N -3.28 5.00 -0.22 0.00 -1.09 -1.26 -4.42 121.20 115.93 1uiu s ILE 191 Ca 0.03 0.98 0.16 0.00 -2.23 0.00 0.00 60.65 59.59 1uiu s ILE 191 Cb 0.08 -3.80 -0.23 0.00 -1.58 0.00 0.00 42.46 36.93 1uiu s ILE 191 CO 0.73 0.49 0.44 2.29 -1.23 0.00 0.00 174.94 177.66 1uiu n LYS 192 N 2.38 0.86 -3.77 2.79 2.85 0.33 -4.63 118.16 118.96 1uiu n LYS 192 Ca -0.11 -0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 56.92 1uiu n LYS 192 Cb 0.52 -1.34 -0.12 0.00 -0.65 0.00 0.00 35.03 33.44 1uiu n LYS 192 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1uiu s LYS 193 N -2.94 0.28 -0.10 -1.58 2.20 -1.24 -1.69 119.74 114.67 1uiu s LYS 193 Ca -0.03 0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.98 1uiu s LYS 193 Cb 0.11 0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1uiu s LYS 193 CO 0.66 -0.06 -0.06 0.42 -0.36 0.00 0.00 175.35 175.95 1uiu s ILE 194 N 0.39 0.85 -0.19 5.43 1.01 -0.16 -1.18 121.20 127.35 1uiu s ILE 194 Ca -0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1uiu s ILE 194 Cb -0.04 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1uiu s ILE 194 CO -0.02 0.34 0.03 -0.89 0.00 0.00 0.00 174.94 174.40 1uiu s THR 195 N 1.73 4.33 -0.38 2.92 2.01 -0.52 -0.20 115.64 125.53 1uiu s THR 195 Ca 0.04 -0.19 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 1uiu s THR 195 Cb -0.13 -2.95 0.03 0.00 0.01 0.00 0.00 72.50 69.46 1uiu s THR 195 CO -0.07 0.45 0.23 -0.36 -0.69 0.00 0.00 174.62 174.18 1uiu s PHE 196 N 0.64 3.25 0.09 4.92 0.40 0.64 -0.74 117.98 127.18 1uiu s PHE 196 Ca 0.01 -0.92 -0.31 0.00 -0.60 0.00 0.00 56.93 55.12 1uiu s PHE 196 Cb -0.14 -2.49 -0.06 0.00 0.51 0.00 0.00 43.02 40.84 1uiu s PHE 196 CO 0.02 -0.65 1.22 -0.80 0.70 0.00 0.00 175.22 175.71 1uiu s ASN 197 N 1.60 7.05 -0.47 1.36 0.02 -0.09 -0.90 114.94 123.51 1uiu s ASN 197 Ca 0.02 2.10 -0.27 0.00 -1.02 0.00 0.00 52.86 53.69 1uiu s ASN 197 Cb -0.19 -2.59 0.03 0.00 0.02 0.00 0.00 41.25 38.52 1uiu s ASN 197 CO 0.07 -0.47 1.01 -0.69 0.02 0.00 0.00 177.10 177.04 1uiu s VAL 198 N 0.84 4.36 -0.33 1.60 1.01 -0.16 -1.13 120.40 126.60 1uiu s VAL 198 Ca 0.58 0.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1uiu s VAL 198 Cb -0.31 -4.50 0.11 0.00 0.00 0.00 0.00 36.38 31.67 1uiu s VAL 198 CO 0.31 -0.91 0.13 -0.63 0.00 0.00 0.00 175.10 174.00 1uiu s ILE 199 N 4.04 0.74 0.23 2.22 1.01 0.22 -4.70 121.20 124.96 1uiu s ILE 199 Ca 0.42 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 1uiu s ILE 199 Cb -0.09 -1.56 0.20 0.00 0.01 0.00 0.00 42.46 41.02 1uiu s ILE 199 CO 0.28 -0.73 1.85 -0.65 0.00 0.00 0.00 174.94 175.69 1uiu h PRO 200 N 7.90 1.24 -6.12 2.79 0.11 -1.79 -3.33 132.00 132.80 1uiu h PRO 200 Ca -0.12 -0.16 -0.56 0.00 0.11 0.00 0.00 66.00 65.28 1uiu h PRO 200 Cb 1.00 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.82 1uiu h PRO 200 CO 0.45 0.92 0.06 0.34 -0.21 0.00 0.00 178.00 179.57 1uiu s ASP 201 N -6.27 7.04 0.21 -2.05 -1.08 -1.26 -4.80 116.67 108.46 1uiu s ASP 201 Ca -0.13 1.24 -0.07 0.00 -0.52 0.00 0.00 52.55 53.07 1uiu s ASP 201 Cb 0.17 -2.41 0.15 0.00 -1.46 0.00 0.00 42.92 39.37 1uiu s ASP 201 CO 0.83 0.01 1.72 -0.65 0.52 0.00 0.00 175.17 177.60 1uiu h PRO 202 N 5.98 1.09 -0.42 4.34 0.11 -1.88 -2.12 132.00 139.11 1uiu h PRO 202 Ca -0.44 -0.27 -0.00 0.00 0.11 0.00 0.00 66.00 65.40 1uiu h PRO 202 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1uiu h PRO 202 CO 0.72 0.98 0.24 1.15 -0.21 0.00 0.00 178.00 180.88 1uiu h THR 203 N 1.03 1.14 -0.65 -1.15 2.02 -1.94 -1.90 112.91 111.46 1uiu h THR 203 Ca 0.21 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1uiu h THR 203 Cb 0.40 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1uiu h THR 203 CO 0.01 0.14 0.42 0.74 0.37 0.00 0.00 175.52 177.20 1uiu h THR 204 N 0.55 1.17 0.01 3.16 2.02 -1.87 0.20 112.91 118.15 1uiu h THR 204 Ca 0.15 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1uiu h THR 204 Cb 0.02 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1uiu h THR 204 CO -0.03 0.16 -0.00 0.03 0.37 0.00 0.00 175.52 176.06 1uiu h ARG 205 N 0.88 -0.01 -0.33 6.66 3.08 -1.17 0.11 114.38 123.59 1uiu h ARG 205 Ca 0.24 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.35 1uiu h ARG 205 Cb -0.09 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.89 1uiu h ARG 205 CO -0.05 0.16 -0.10 0.00 -1.07 0.00 0.00 179.97 178.91 1uiu h ALA 206 N 0.83 0.20 -0.85 0.04 0.00 -0.56 -1.58 119.26 117.33 1uiu h ALA 206 Ca -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1uiu h ALA 206 Cb 0.17 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1uiu h ALA 206 CO 0.00 -0.48 0.48 0.28 0.00 0.00 0.00 179.25 179.54 1uiu h VAL 207 N -0.02 1.24 -0.94 0.00 2.07 -0.44 -1.58 116.25 116.58 1uiu h VAL 207 Ca 0.16 -0.58 0.10 0.00 0.82 0.00 0.00 66.70 67.20 1uiu h VAL 207 Cb 0.27 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 1uiu h VAL 207 CO -0.36 0.27 0.58 0.00 0.02 0.00 0.00 177.57 178.08 1uiu h ALA 208 N 1.26 1.37 -0.40 1.67 0.00 -0.31 -1.72 119.26 121.13 1uiu h ALA 208 Ca 0.30 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1uiu h ALA 208 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1uiu h ALA 208 CO -0.05 0.23 -0.32 0.35 0.00 0.00 0.00 179.25 179.46 1uiu h PHE 209 N 0.97 1.08 -0.52 0.00 3.57 -0.37 -2.31 116.94 119.36 1uiu h PHE 209 Ca 0.45 -0.31 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1uiu h PHE 209 Cb 0.37 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1uiu h PHE 209 CO -0.02 1.12 0.28 0.93 -2.23 0.00 0.00 178.31 178.38 1uiu h GLU 210 N 0.73 0.52 0.00 1.11 5.08 -0.76 -2.88 114.58 118.38 1uiu h GLU 210 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1uiu h GLU 210 Cb 0.90 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1uiu h GLU 210 CO 0.08 0.35 0.00 0.25 -1.00 0.00 0.00 179.01 178.69 1uiu n THR 211 N -4.86 0.04 -0.56 1.13 -2.24 -0.70 -4.90 114.28 102.19 1uiu n THR 211 Ca 0.04 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1uiu n THR 211 Cb 0.12 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1uiu n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uiu n GLY 212 N 1.38 0.77 0.24 3.38 0.00 -1.09 -4.92 105.19 104.96 1uiu n GLY 212 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1uiu n GLY 212 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uiu h ASP 213 N 0.00 0.00 -4.72 1.61 3.32 -1.68 -3.42 116.42 111.52 1uiu h ASP 213 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1uiu h ASP 213 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 1uiu h ASP 213 CO 0.00 0.00 -0.39 -0.63 -1.72 0.00 0.00 179.24 176.50 1uiu s ILE 214 N -3.77 0.06 -0.47 0.35 1.01 -1.14 -4.88 121.20 112.36 1uiu s ILE 214 Ca -0.03 -0.46 0.21 0.00 0.00 0.00 0.00 60.65 60.37 1uiu s ILE 214 Cb 0.08 -0.48 -0.28 0.00 0.01 0.00 0.00 42.46 41.79 1uiu s ILE 214 CO 0.26 -0.25 0.65 0.47 0.00 0.00 0.00 174.94 176.06 1uiu n ASP 215 N 1.72 0.57 -3.67 3.58 10.43 0.11 -4.51 116.55 124.78 1uiu n ASP 215 Ca -0.20 -0.46 -0.13 0.00 2.57 0.00 0.00 54.79 56.56 1uiu n ASP 215 Cb 0.56 1.50 -0.08 0.00 1.84 0.00 0.00 41.12 44.94 1uiu n ASP 215 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1uiu s LEU 216 N -3.75 -0.29 -0.03 0.64 0.20 -1.22 -1.68 118.68 112.55 1uiu s LEU 216 Ca -0.00 1.20 0.01 0.00 0.69 0.00 0.00 54.13 56.03 1uiu s LEU 216 Cb 0.14 2.04 0.02 0.00 -0.43 0.00 0.00 46.19 47.96 1uiu s LEU 216 CO 0.85 -0.21 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.91 1uiu s LEU 217 N 0.38 1.39 -0.11 -0.68 1.43 0.89 -4.17 118.68 117.82 1uiu s LEU 217 Ca -0.01 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1uiu s LEU 217 Cb -0.04 -0.36 0.05 0.00 0.03 0.00 0.00 46.19 45.87 1uiu s LEU 217 CO -0.00 -0.05 0.11 -0.47 0.23 0.00 0.00 176.35 176.17 1uiu s TYR 218 N 0.77 0.00 0.00 0.29 6.04 -1.26 -1.30 117.35 121.90 1uiu s TYR 218 Ca -0.09 0.17 0.00 0.00 0.04 0.00 0.00 57.07 57.19 1uiu s TYR 218 Cb -0.13 -0.48 0.00 0.00 -1.04 0.00 0.00 41.96 40.32 1uiu s TYR 218 CO -0.00 -0.35 0.00 0.41 -1.54 0.00 0.00 175.55 174.07 1uiu n GLY 219 N 5.30 0.20 0.00 8.97 0.00 -0.42 -5.01 105.19 114.24 1uiu n GLY 219 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1uiu n GLY 219 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uiu n ASN 220 N 0.00 0.00 0.27 1.61 2.04 -1.26 -0.29 115.26 117.62 1uiu n ASN 220 Ca 0.00 0.00 0.14 0.00 -0.44 0.00 0.00 54.58 54.28 1uiu n ASN 220 Cb 0.00 0.00 0.71 0.00 -2.53 0.00 0.00 39.78 37.96 1uiu n ASN 220 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1uiu h GLU 221 N 0.00 0.00 -0.07 -3.83 -0.00 -1.96 -2.76 114.58 105.96 1uiu h GLU 221 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1uiu h GLU 221 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1uiu h GLU 221 CO 0.00 0.10 0.00 0.41 -0.00 0.00 0.00 179.01 179.52 1uiu n GLY 222 N -0.33 -0.09 0.14 1.06 0.00 -1.26 -4.56 105.19 100.15 1uiu n GLY 222 Ca -0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1uiu n GLY 222 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1uiu h LEU 223 N 1.85 -0.14 -7.62 0.99 5.85 -1.80 -3.45 115.31 110.99 1uiu h LEU 223 Ca 0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1uiu h LEU 223 Cb 0.40 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.45 1uiu h LEU 223 CO 0.00 -0.03 0.02 -1.48 -0.34 0.00 0.00 178.44 176.61 1uiu s LEU 224 N -10.44 0.10 0.34 2.25 2.34 -1.26 -4.82 118.68 107.19 1uiu s LEU 224 Ca -0.13 -0.45 -0.27 0.00 0.06 0.00 0.00 54.13 53.33 1uiu s LEU 224 Cb 0.12 2.11 -0.12 0.00 -0.56 0.00 0.00 46.19 47.74 1uiu s LEU 224 CO 0.70 -1.02 1.17 -2.65 -1.06 0.00 0.00 176.35 173.49 1uiu n PRO 225 N -0.33 1.80 0.14 1.48 -0.02 -1.26 -4.83 135.00 131.99 1uiu n PRO 225 Ca -0.11 0.63 -0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1uiu n PRO 225 Cb 0.63 -2.16 0.19 0.00 -0.02 0.00 0.00 33.50 32.14 1uiu n PRO 225 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1uiu h LEU 226 N 2.24 0.00 -0.68 2.45 4.07 -1.92 -1.57 115.31 119.90 1uiu h LEU 226 Ca -0.44 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.38 1uiu h LEU 226 Cb 1.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 1uiu h LEU 226 CO 0.61 0.59 -0.47 -2.24 -1.08 0.00 0.00 178.44 175.84 1uiu h ASP 227 N 0.00 0.49 -0.40 -0.43 2.03 -1.90 -2.18 116.42 114.03 1uiu h ASP 227 Ca -0.01 -0.24 -0.01 0.00 -0.73 0.00 0.00 57.03 56.05 1uiu h ASP 227 Cb 1.07 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.41 1uiu h ASP 227 CO 0.08 0.89 0.21 0.74 -1.03 0.00 0.00 179.24 180.13 1uiu h THR 228 N 0.36 1.16 -0.70 1.15 2.02 -1.85 -2.01 112.91 113.04 1uiu h THR 228 Ca 0.02 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 66.86 1uiu h THR 228 Cb 0.97 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 1uiu h THR 228 CO 0.08 0.17 0.36 0.15 0.37 0.00 0.00 175.52 176.65 1uiu h PHE 229 N 0.51 0.66 -0.72 3.16 3.57 -1.14 0.25 116.94 123.23 1uiu h PHE 229 Ca 0.14 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1uiu h PHE 229 Cb 0.08 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1uiu h PHE 229 CO -0.02 0.26 0.30 0.00 -2.23 0.00 0.00 178.31 176.62 1uiu h ALA 230 N 1.41 0.94 -0.59 2.41 0.00 -1.01 0.84 119.26 123.26 1uiu h ALA 230 Ca 0.34 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1uiu h ALA 230 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1uiu h ALA 230 CO -0.24 0.55 0.05 -0.09 0.00 0.00 0.00 179.25 179.52 1uiu h ARG 231 N 1.03 1.02 -0.73 0.00 2.43 -0.98 -2.07 114.38 115.08 1uiu h ARG 231 Ca 0.24 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1uiu h ARG 231 Cb 0.20 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1uiu h ARG 231 CO -0.02 0.99 0.32 0.74 -1.51 0.00 0.00 179.97 180.48 1uiu h PHE 232 N 0.92 1.06 0.00 2.20 0.04 -0.22 -1.82 116.94 119.12 1uiu h PHE 232 Ca 0.17 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1uiu h PHE 232 Cb 0.50 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1uiu h PHE 232 CO 0.04 0.79 0.00 0.66 -0.60 0.00 0.00 178.31 179.20 1uiu h SER 233 N 1.04 0.00 0.52 2.17 4.64 -0.14 -0.22 113.55 121.56 1uiu h SER 233 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1uiu h SER 233 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1uiu h SER 233 CO -0.03 0.00 -0.84 0.00 -0.87 0.00 0.00 176.83 175.10 1uiu n GLN 234 N -3.01 0.22 -2.99 4.77 1.13 -0.72 -4.81 117.38 111.98 1uiu n GLN 234 Ca 0.00 0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.65 1uiu n GLN 234 Cb 0.27 -1.59 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 1uiu n GLN 234 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1uiu s ASN 235 N -3.78 6.38 0.00 1.08 3.84 -0.10 -4.95 114.94 117.42 1uiu s ASN 235 Ca 0.06 -0.20 0.08 0.00 0.21 0.00 0.00 52.86 53.01 1uiu s ASN 235 Cb 0.15 -2.37 0.35 0.00 -0.55 0.00 0.00 41.25 38.83 1uiu s ASN 235 CO 0.77 -0.92 1.25 -2.65 -2.79 0.00 0.00 177.10 172.76 1uiu n PRO 236 N 6.68 0.01 0.00 0.43 -0.02 -1.26 -1.60 135.00 139.23 1uiu n PRO 236 Ca 0.01 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 1uiu n PRO 236 Cb 0.48 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.80 1uiu n PRO 236 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uiu n ALA 237 N -1.49 1.74 -2.38 3.55 0.00 -1.26 -4.81 120.51 115.87 1uiu n ALA 237 Ca 0.02 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1uiu n ALA 237 Cb 0.09 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 1uiu n ALA 237 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1uiu s TYR 238 N -2.92 2.23 -0.20 0.00 2.02 -0.63 -4.57 117.35 113.29 1uiu s TYR 238 Ca 0.09 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.29 1uiu s TYR 238 Cb 0.10 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 1uiu s TYR 238 CO 0.28 0.17 0.14 -1.58 -1.57 0.00 0.00 175.55 172.98 1uiu s HIS 239 N -0.87 3.42 0.08 2.71 5.65 0.67 -4.91 115.29 122.04 1uiu s HIS 239 Ca 0.11 0.34 0.05 0.00 0.25 0.00 0.00 55.06 55.82 1uiu s HIS 239 Cb -0.10 -2.16 -0.03 0.00 -1.18 0.00 0.00 32.58 29.11 1uiu s HIS 239 CO 0.03 0.30 -0.13 0.95 -0.65 0.00 0.00 174.74 175.23 1uiu s THR 240 N 0.34 1.10 0.04 0.89 -4.23 -1.26 -0.86 115.64 111.66 1uiu s THR 240 Ca 0.08 -1.41 -0.11 0.00 -1.18 0.00 0.00 61.69 59.08 1uiu s THR 240 Cb -0.11 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.58 1uiu s THR 240 CO -0.02 -0.31 0.23 -1.10 -0.54 0.00 0.00 174.62 172.88 1uiu s GLN 241 N -2.02 0.73 -0.07 3.99 -0.21 -0.66 -4.99 119.66 116.43 1uiu s GLN 241 Ca 0.00 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 54.81 1uiu s GLN 241 Cb -0.08 0.31 0.02 0.00 1.00 0.00 0.00 33.01 34.25 1uiu s GLN 241 CO 0.02 -0.22 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.36 1uiu s LEU 242 N -2.08 1.53 0.88 2.90 1.43 -1.26 -1.97 118.68 120.12 1uiu s LEU 242 Ca -0.05 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1uiu s LEU 242 Cb -0.01 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.57 1uiu s LEU 242 CO -0.04 -0.00 1.12 -0.94 0.23 0.00 0.00 176.35 176.73 1uiu s SER 243 N 0.83 3.75 1.08 2.29 1.04 -0.72 -4.97 113.70 117.00 1uiu s SER 243 Ca -0.12 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.26 1uiu s SER 243 Cb -0.15 -1.69 0.24 0.00 0.10 0.00 0.00 66.02 64.51 1uiu s SER 243 CO 0.02 -2.41 1.07 -1.10 0.98 0.00 0.00 173.24 171.79 1uiu s GLN 244 N -5.23 -0.25 0.20 4.02 -1.52 -1.26 -4.58 119.66 111.04 1uiu s GLN 244 Ca 0.63 1.08 -0.32 0.00 -1.95 0.00 0.00 55.36 54.80 1uiu s GLN 244 Cb -0.15 -1.61 -0.15 0.00 -0.22 0.00 0.00 33.01 30.88 1uiu s GLN 244 CO 0.54 -3.34 1.25 -2.30 -0.25 0.00 0.00 175.29 171.18 1uiu n PRO 245 N -4.68 1.51 -0.01 2.91 -0.02 -1.26 -4.49 135.00 128.96 1uiu n PRO 245 Ca 0.06 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 1uiu n PRO 245 Cb 0.53 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1uiu n PRO 245 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1uiu n ILE 246 N 1.58 0.06 -3.55 4.25 -5.35 0.42 -4.98 119.36 111.79 1uiu n ILE 246 Ca 0.13 -0.12 -0.16 0.00 -0.27 0.00 0.00 62.75 62.34 1uiu n ILE 246 Cb 0.28 0.15 -0.06 0.00 -1.74 0.00 0.00 39.64 38.26 1uiu n ILE 246 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1uiu s GLU 247 N -2.27 0.92 -0.02 6.28 2.12 -1.24 -4.03 118.70 120.45 1uiu s GLU 247 Ca -0.02 0.30 -0.08 0.00 0.36 0.00 0.00 54.97 55.53 1uiu s GLU 247 Cb 0.03 0.43 -0.05 0.00 0.26 0.00 0.00 34.13 34.80 1uiu s GLU 247 CO 0.19 -0.27 0.26 0.99 -0.54 0.00 0.00 175.26 175.88 1uiu s THR 248 N -1.01 5.31 -0.13 -1.70 2.01 -1.26 -0.50 115.64 118.37 1uiu s THR 248 Ca -0.08 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 1uiu s THR 248 Cb -0.01 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1uiu s THR 248 CO 0.07 0.46 -0.00 0.68 -0.69 0.00 0.00 174.62 175.13 1uiu s VAL 249 N -1.20 4.25 0.21 3.82 -7.23 0.42 -1.71 120.40 118.96 1uiu s VAL 249 Ca 0.24 -0.25 -0.13 0.00 -1.81 0.00 0.00 61.98 60.03 1uiu s VAL 249 Cb -0.13 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1uiu s VAL 249 CO 0.13 0.54 0.43 0.00 -0.31 0.00 0.00 175.10 175.89 1uiu s MET 250 N -0.25 1.41 0.06 4.82 0.23 -0.30 -0.92 119.30 124.34 1uiu s MET 250 Ca 0.06 -1.16 -0.13 0.00 -1.03 0.00 0.00 55.69 53.43 1uiu s MET 250 Cb -0.12 0.45 -0.06 0.00 -1.53 0.00 0.00 34.83 33.57 1uiu s MET 250 CO 0.02 -0.57 0.44 -0.51 -2.03 0.00 0.00 175.02 172.37 1uiu s LEU 251 N -2.98 4.41 -0.12 0.18 1.43 0.86 -1.16 118.68 121.31 1uiu s LEU 251 Ca 0.19 0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 54.09 1uiu s LEU 251 Cb 0.00 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1uiu s LEU 251 CO 0.04 0.23 0.29 0.00 0.23 0.00 0.00 176.35 177.15 1uiu s ALA 252 N -1.26 3.67 -0.11 4.21 0.00 0.70 -0.96 121.76 128.00 1uiu s ALA 252 Ca 0.30 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1uiu s ALA 252 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1uiu s ALA 252 CO 0.16 0.28 0.02 -0.51 0.00 0.00 0.00 175.76 175.71 1uiu s LEU 253 N -0.16 3.67 -0.66 0.00 1.43 -1.16 -1.60 118.68 120.20 1uiu s LEU 253 Ca 0.18 0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.18 1uiu s LEU 253 Cb -0.14 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.27 1uiu s LEU 253 CO 0.06 0.33 1.05 0.21 0.23 0.00 0.00 176.35 178.23 1uiu s ASN 254 N -0.56 6.20 0.00 2.29 3.84 0.98 -4.77 114.94 122.91 1uiu s ASN 254 Ca 0.10 -0.73 0.21 0.00 0.21 0.00 0.00 52.86 52.65 1uiu s ASN 254 Cb -0.12 -2.46 1.04 0.00 -0.55 0.00 0.00 41.25 39.16 1uiu s ASN 254 CO 0.02 -1.52 1.65 0.35 -2.79 0.00 0.00 177.10 174.81 1uiu n THR 255 N 6.10 0.36 1.49 -5.21 -2.24 0.35 -2.52 114.28 112.62 1uiu n THR 255 Ca -0.01 0.09 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 1uiu n THR 255 Cb 0.47 -0.75 0.52 0.00 -2.10 0.00 0.00 70.33 68.46 1uiu n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uiu n ALA 256 N -1.28 2.59 -2.77 6.98 0.00 -1.26 -3.62 120.51 121.16 1uiu n ALA 256 Ca 0.10 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1uiu n ALA 256 Cb 0.16 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 1uiu n ALA 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1uiu s LYS 257 N -2.01 0.41 0.59 0.00 2.20 -1.05 -4.94 119.74 114.95 1uiu s LYS 257 Ca 0.38 -0.21 -0.19 0.00 -0.36 0.00 0.00 55.97 55.59 1uiu s LYS 257 Cb 0.21 -0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1uiu s LYS 257 CO 0.34 0.10 1.21 0.00 -0.36 0.00 0.00 175.35 176.65 1uiu s ALA 258 N -0.19 2.54 -1.93 3.13 0.00 -1.26 -1.20 121.76 122.86 1uiu s ALA 258 Ca 0.01 1.03 0.25 0.00 0.00 0.00 0.00 51.96 53.25 1uiu s ALA 258 Cb -0.02 -3.46 0.53 0.00 0.00 0.00 0.00 23.12 20.17 1uiu s ALA 258 CO -0.00 -1.18 1.43 -0.35 0.00 0.00 0.00 175.76 175.65 1uiu n PRO 259 N -1.59 1.05 0.00 0.00 -0.04 -1.26 -4.83 135.00 128.33 1uiu n PRO 259 Ca 0.14 -0.72 0.04 0.00 -0.04 0.00 0.00 63.50 62.92 1uiu n PRO 259 Cb 0.49 -1.49 0.21 0.00 -0.04 0.00 0.00 33.50 32.67 1uiu n PRO 259 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1uiu n THR 260 N -0.35 0.94 0.59 0.52 -2.24 -1.03 -2.02 114.28 110.69 1uiu n THR 260 Ca 0.12 0.23 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1uiu n THR 260 Cb 0.39 -1.09 0.41 0.00 -2.10 0.00 0.00 70.33 67.94 1uiu n THR 260 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1uiu n ASN 261 N -1.32 0.18 -4.66 3.42 6.94 -0.34 -4.27 115.26 115.20 1uiu n ASN 261 Ca 0.04 0.54 -0.40 0.00 -0.02 0.00 0.00 54.58 54.73 1uiu n ASN 261 Cb 0.07 -0.58 -0.05 0.00 -2.36 0.00 0.00 39.78 36.86 1uiu n ASN 261 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1uiu s GLU 262 N -3.06 4.22 0.31 -3.83 2.02 -0.86 -4.95 118.70 112.54 1uiu s GLU 262 Ca 0.08 0.70 0.07 0.00 0.02 0.00 0.00 54.97 55.84 1uiu s GLU 262 Cb 0.12 -3.58 0.80 0.00 0.10 0.00 0.00 34.13 31.56 1uiu s GLU 262 CO 0.36 -0.27 1.73 1.25 0.02 0.00 0.00 175.26 178.35 1uiu h LEU 263 N 8.28 0.62 -0.97 1.80 5.85 -1.90 -0.89 115.31 128.10 1uiu h LEU 263 Ca -0.30 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 1uiu h LEU 263 Cb 1.14 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1uiu h LEU 263 CO 0.79 0.13 -0.38 0.00 -0.34 0.00 0.00 178.44 178.63 1uiu h ALA 264 N 1.70 1.13 -0.18 1.25 0.00 -1.93 0.11 119.26 121.35 1uiu h ALA 264 Ca 0.60 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1uiu h ALA 264 Cb 1.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1uiu h ALA 264 CO -0.46 0.57 -0.03 0.28 0.00 0.00 0.00 179.25 179.61 1uiu h VAL 265 N 0.22 1.27 -0.81 0.00 2.07 -1.48 -1.01 116.25 116.51 1uiu h VAL 265 Ca 0.02 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1uiu h VAL 265 Cb 0.78 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1uiu h VAL 265 CO 0.06 0.29 0.51 0.03 0.02 0.00 0.00 177.57 178.48 1uiu h ARG 266 N 0.06 1.07 -0.14 1.57 3.08 -1.08 0.10 114.38 119.05 1uiu h ARG 266 Ca 0.05 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1uiu h ARG 266 Cb 0.45 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1uiu h ARG 266 CO 0.01 0.73 0.07 0.93 -1.07 0.00 0.00 179.97 180.64 1uiu h GLU 267 N 1.10 0.15 -0.47 0.04 5.08 -0.90 -1.19 114.58 118.39 1uiu h GLU 267 Ca 0.29 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1uiu h GLU 267 Cb -0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1uiu h GLU 267 CO -0.06 0.10 0.17 0.00 -1.00 0.00 0.00 179.01 178.22 1uiu h ALA 268 N 1.07 0.61 -0.68 3.43 0.00 -0.76 -1.94 119.26 120.99 1uiu h ALA 268 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1uiu h ALA 268 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1uiu h ALA 268 CO -0.04 0.24 0.45 -0.07 0.00 0.00 0.00 179.25 179.83 1uiu h LEU 269 N 0.62 0.64 -0.97 0.00 3.38 -0.68 -1.30 115.31 117.00 1uiu h LEU 269 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1uiu h LEU 269 Cb 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1uiu h LEU 269 CO -0.01 0.42 0.00 0.78 0.09 0.00 0.00 178.44 179.72 1uiu h ASN 270 N 0.73 0.00 0.21 -0.43 2.35 -0.45 -2.63 115.58 115.37 1uiu h ASN 270 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1uiu h ASN 270 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1uiu h ASN 270 CO -0.09 0.00 -0.83 -1.22 -1.65 0.00 0.00 177.43 173.64 1uiu n TYR 271 N -2.46 0.02 0.11 1.19 4.01 -0.55 -4.67 117.16 114.81 1uiu n TYR 271 Ca 0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.79 1uiu n TYR 271 Cb 0.23 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1uiu n TYR 271 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uiu h ALA 272 N 2.96 0.68 -3.08 -0.72 0.00 -1.01 0.20 119.26 118.30 1uiu h ALA 272 Ca 0.00 -0.49 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 1uiu h ALA 272 Cb 0.52 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 1uiu h ALA 272 CO 0.00 0.60 -0.34 0.08 0.00 0.00 0.00 179.25 179.59 1uiu s VAL 273 N -3.01 5.30 -0.83 0.00 1.01 -1.26 -4.66 120.40 116.96 1uiu s VAL 273 Ca 0.02 0.50 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 1uiu s VAL 273 Cb 0.08 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.93 1uiu s VAL 273 CO 0.76 0.36 1.13 0.21 0.00 0.00 0.00 175.10 177.57 1uiu s ASN 274 N 0.64 6.40 0.22 3.32 3.84 -1.26 -4.60 114.94 123.50 1uiu s ASN 274 Ca 0.15 -1.44 -0.05 0.00 0.21 0.00 0.00 52.86 51.74 1uiu s ASN 274 Cb -0.13 -2.45 0.21 0.00 -0.55 0.00 0.00 41.25 38.33 1uiu s ASN 274 CO 0.04 -1.33 1.68 0.11 -2.79 0.00 0.00 177.10 174.80 1uiu h LYS 275 N 9.35 0.85 -0.31 0.43 1.57 -1.94 -1.23 116.57 125.29 1uiu h LYS 275 Ca -0.04 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1uiu h LYS 275 Cb 1.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1uiu h LYS 275 CO 1.20 0.91 0.11 -0.22 -0.57 0.00 0.00 179.45 180.88 1uiu h LYS 276 N 0.77 0.46 -0.83 3.15 1.63 -1.92 0.28 116.57 120.11 1uiu h LYS 276 Ca 0.13 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1uiu h LYS 276 Cb 0.60 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.12 1uiu h LYS 276 CO 0.04 0.49 0.40 1.03 -3.45 0.00 0.00 179.45 177.96 1uiu h SER 277 N 0.34 1.09 -0.63 4.20 0.87 -1.94 0.17 113.55 117.66 1uiu h SER 277 Ca 0.10 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1uiu h SER 277 Cb 0.21 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1uiu h SER 277 CO -0.01 0.92 0.30 0.25 -0.53 0.00 0.00 176.83 177.77 1uiu h LEU 278 N 1.18 0.82 -0.51 2.23 6.46 -0.59 -1.29 115.31 123.60 1uiu h LEU 278 Ca 0.28 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1uiu h LEU 278 Cb 0.12 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1uiu h LEU 278 CO -0.04 0.73 0.08 0.40 -0.62 0.00 0.00 178.44 178.99 1uiu h ILE 279 N 0.86 1.25 -0.67 4.05 2.04 -0.59 0.42 117.51 124.88 1uiu h ILE 279 Ca 0.22 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1uiu h ILE 279 Cb 0.12 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1uiu h ILE 279 CO -0.03 0.34 0.31 0.44 0.00 0.00 0.00 178.15 179.21 1uiu h ASP 280 N 0.73 0.89 0.13 1.72 3.32 -0.53 -0.06 116.42 122.62 1uiu h ASP 280 Ca 0.16 -0.14 -0.30 0.00 0.02 0.00 0.00 57.03 56.76 1uiu h ASP 280 Cb 0.41 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1uiu h ASP 280 CO 0.01 0.79 -1.56 0.78 -1.72 0.00 0.00 179.24 177.54 1uiu h ASN 281 N 0.93 0.44 0.00 6.45 2.35 -1.07 -3.20 115.58 121.48 1uiu h ASN 281 Ca 0.23 -0.88 -0.34 0.00 -0.55 0.00 0.00 56.30 54.76 1uiu h ASN 281 Cb 0.15 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1uiu h ASN 281 CO -0.03 1.69 -2.27 0.00 -1.65 0.00 0.00 177.43 175.18 1uiu n ALA 282 N -2.96 1.54 0.70 -0.83 0.00 0.12 -4.54 120.51 114.55 1uiu n ALA 282 Ca -0.26 -1.17 0.08 0.00 0.00 0.00 0.00 53.44 52.09 1uiu n ALA 282 Cb 0.96 -0.12 0.05 0.00 0.00 0.00 0.00 19.45 20.33 1uiu n ALA 282 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uiu n LEU 283 N -2.76 2.14 -2.76 0.00 4.77 -1.05 -4.96 117.00 112.38 1uiu n LEU 283 Ca -0.32 -0.92 -0.20 0.00 -0.03 0.00 0.00 56.01 54.54 1uiu n LEU 283 Cb 1.07 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.17 1uiu n LEU 283 CO 0.36 0.39 -0.12 -1.22 -1.33 0.00 0.00 177.39 175.47 1uiu n TYR 284 N 0.60 -1.53 -1.23 -1.77 4.02 -0.49 -0.97 117.16 115.78 1uiu n TYR 284 Ca 0.09 0.25 -0.08 0.00 -0.01 0.00 0.00 57.90 58.15 1uiu n TYR 284 Cb 0.39 -3.82 -0.03 0.00 -0.02 0.00 0.00 39.34 35.86 1uiu n TYR 284 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uiu n GLY 285 N -1.18 0.99 0.14 2.72 0.00 -0.16 -4.79 105.19 102.90 1uiu n GLY 285 Ca -0.15 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.39 1uiu n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uiu n THR 286 N -2.74 0.00 -4.29 2.61 -2.24 -0.15 -4.90 114.28 102.58 1uiu n THR 286 Ca -0.08 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 1uiu n THR 286 Cb 0.27 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1uiu n THR 286 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1uiu s GLN 287 N -2.46 1.16 0.12 -0.78 -0.21 -1.26 -4.41 119.66 111.81 1uiu s GLN 287 Ca 0.29 -1.44 0.02 0.00 0.02 0.00 0.00 55.36 54.25 1uiu s GLN 287 Cb 0.20 -0.92 -0.04 0.00 1.00 0.00 0.00 33.01 33.25 1uiu s GLN 287 CO 0.48 0.15 0.21 -0.65 -2.12 0.00 0.00 175.29 173.36 1uiu s GLN 288 N -3.36 3.29 0.25 2.91 -0.21 -1.18 -4.92 119.66 116.44 1uiu s GLN 288 Ca 0.17 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 54.63 1uiu s GLN 288 Cb -0.01 -2.91 -0.12 0.00 1.00 0.00 0.00 33.01 30.97 1uiu s GLN 288 CO 0.04 0.55 1.66 0.28 -2.12 0.00 0.00 175.29 175.70 1uiu n VAL 289 N -0.14 0.48 -3.65 1.09 0.31 -1.26 -0.60 118.33 114.57 1uiu n VAL 289 Ca -0.07 -0.12 -0.38 0.00 -0.01 0.00 0.00 64.34 63.76 1uiu n VAL 289 Cb 0.53 -1.97 -0.12 0.00 -0.91 0.00 0.00 33.84 31.37 1uiu n VAL 289 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uiu s ALA 290 N 0.61 3.34 -0.29 3.52 0.00 -0.35 -4.68 121.76 123.91 1uiu s ALA 290 Ca 0.70 -1.26 0.22 0.00 0.00 0.00 0.00 51.96 51.62 1uiu s ALA 290 Cb -0.50 -2.37 -0.11 0.00 0.00 0.00 0.00 23.12 20.13 1uiu s ALA 290 CO 0.40 -0.74 0.84 -0.25 0.00 0.00 0.00 175.76 176.01 1uiu n ASP 291 N 5.00 0.49 -4.09 0.00 8.00 -1.26 -4.09 116.55 120.60 1uiu n ASP 291 Ca -0.14 0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.27 1uiu n ASP 291 Cb 0.50 1.11 -0.11 0.00 -0.02 0.00 0.00 41.12 42.60 1uiu n ASP 291 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1uiu s THR 292 N -3.36 0.49 0.22 -3.53 -4.23 -1.26 -4.70 115.64 99.27 1uiu s THR 292 Ca -0.02 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 1uiu s THR 292 Cb 0.13 -1.04 0.23 0.00 1.34 0.00 0.00 72.50 73.16 1uiu s THR 292 CO 0.84 -0.64 1.64 0.25 -0.54 0.00 0.00 174.62 176.17 1uiu h LEU 293 N 3.84 -0.45 -8.95 4.79 5.85 -1.95 -3.39 115.31 115.04 1uiu h LEU 293 Ca -0.35 0.18 -0.69 0.00 0.84 0.00 0.00 57.88 57.87 1uiu h LEU 293 Cb 1.18 0.35 -0.22 0.00 0.37 0.00 0.00 40.66 42.34 1uiu h LEU 293 CO 0.52 -0.18 -0.74 -0.36 -0.34 0.00 0.00 178.44 177.34 1uiu s PHE 294 N -6.19 2.79 0.52 1.25 0.40 -1.26 -4.68 117.98 110.82 1uiu s PHE 294 Ca -0.14 -0.14 -0.22 0.00 -0.60 0.00 0.00 56.93 55.83 1uiu s PHE 294 Cb 0.20 -1.68 -0.07 0.00 0.51 0.00 0.00 43.02 41.98 1uiu s PHE 294 CO 0.74 0.20 1.19 0.00 0.70 0.00 0.00 175.22 178.05 1uiu n ALA 295 N 2.40 0.96 0.26 5.36 0.00 -1.26 -4.87 120.51 123.35 1uiu n ALA 295 Ca -0.17 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1uiu n ALA 295 Cb 0.52 -2.24 0.58 0.00 0.00 0.00 0.00 19.45 18.32 1uiu n ALA 295 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1uiu h PRO 296 N 1.32 0.00 -0.00 0.00 0.13 -1.96 -1.88 132.00 129.61 1uiu h PRO 296 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uiu h PRO 296 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uiu h PRO 296 CO 0.56 0.00 -0.04 -1.13 -0.23 0.00 0.00 178.00 177.16 1uiu n SER 297 N -2.31 0.06 -4.74 1.44 3.41 -1.26 -3.55 113.62 106.66 1uiu n SER 297 Ca -0.00 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.48 1uiu n SER 297 Cb 0.11 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 1uiu n SER 297 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1uiu s VAL 298 N -2.90 3.21 -0.00 -3.33 1.01 -0.71 -4.94 120.40 112.73 1uiu s VAL 298 Ca 0.17 1.01 -0.39 0.00 0.00 0.00 0.00 61.98 62.76 1uiu s VAL 298 Cb 0.19 -3.64 -0.19 0.00 0.00 0.00 0.00 36.38 32.74 1uiu s VAL 298 CO 0.53 0.16 1.20 -2.65 0.00 0.00 0.00 175.10 174.34 1uiu n PRO 299 N 2.50 0.40 -0.93 2.72 -0.02 -1.26 -1.59 135.00 136.83 1uiu n PRO 299 Ca 0.06 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1uiu n PRO 299 Cb 0.43 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1uiu n PRO 299 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1uiu n TYR 300 N 2.06 0.00 -0.25 6.00 4.01 -1.26 -4.36 117.16 123.37 1uiu n TYR 300 Ca 0.20 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.98 1uiu n TYR 300 Cb 0.11 -0.54 0.09 0.00 -0.31 0.00 0.00 39.34 38.69 1uiu n TYR 300 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uiu n ALA 301 N 1.00 2.18 -2.37 -0.72 0.00 -0.62 -4.57 120.51 115.40 1uiu n ALA 301 Ca 0.00 -1.31 -0.43 0.00 0.00 0.00 0.00 53.44 51.70 1uiu n ALA 301 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1uiu n ALA 301 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1uiu n ASN 302 N -0.19 4.71 -0.00 0.00 5.15 -1.23 -4.35 115.26 119.35 1uiu n ASN 302 Ca 0.08 -2.93 0.04 0.00 -0.60 0.00 0.00 54.58 51.17 1uiu n ASN 302 Cb 0.41 -1.65 -0.06 0.00 -0.53 0.00 0.00 39.78 37.95 1uiu n ASN 302 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1uiu n LEU 303 N 6.60 0.26 -0.67 1.20 4.77 -1.26 -5.00 117.00 122.91 1uiu n LEU 303 Ca 0.46 -0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1uiu n LEU 303 Cb 0.42 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1uiu n LEU 303 CO 0.79 0.06 -0.08 0.61 -1.33 0.00 0.00 177.39 177.45 1uiu n GLY 304 N 1.50 0.16 3.77 -0.72 0.00 -1.26 -4.99 105.19 103.64 1uiu n GLY 304 Ca 0.00 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1uiu n GLY 304 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uiu s LEU 305 N -1.69 4.39 -0.01 0.99 1.43 -1.26 -4.94 118.68 117.59 1uiu s LEU 305 Ca 0.00 2.78 -0.30 0.00 -1.03 0.00 0.00 54.13 55.58 1uiu s LEU 305 Cb 0.00 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1uiu s LEU 305 CO 0.00 -0.65 1.10 -0.75 0.23 0.00 0.00 176.35 176.27 1uiu s LYS 306 N -1.62 4.45 0.51 1.70 2.20 -1.26 -5.02 119.74 120.71 1uiu s LYS 306 Ca 0.52 1.57 -0.21 0.00 -0.36 0.00 0.00 55.97 57.49 1uiu s LYS 306 Cb -0.42 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.37 1uiu s LYS 306 CO 0.54 -0.25 1.17 -2.14 -0.36 0.00 0.00 175.35 174.31 1uiu s PRO 307 N 1.47 3.46 -0.35 4.03 0.02 -1.26 -5.01 135.00 137.37 1uiu s PRO 307 Ca 0.54 1.76 -0.23 0.00 0.02 0.00 0.00 61.00 63.09 1uiu s PRO 307 Cb -0.24 -2.19 0.01 0.00 0.02 0.00 0.00 34.50 32.10 1uiu s PRO 307 CO 0.25 -0.79 0.75 -1.12 -0.33 0.00 0.00 177.00 175.77 1uiu s SER 308 N -1.51 6.55 1.00 2.53 0.01 -1.26 -5.07 113.70 115.95 1uiu s SER 308 Ca 0.69 0.39 -0.14 0.00 1.31 0.00 0.00 55.95 58.20 1uiu s SER 308 Cb -0.28 -2.38 0.19 0.00 0.21 0.00 0.00 66.02 63.75 1uiu s SER 308 CO 0.33 -0.67 1.13 -1.10 0.41 0.00 0.00 173.24 173.33 1uiu s GLN 309 N 2.99 0.42 -0.30 12.44 -0.21 -1.26 -4.84 119.66 128.90 1uiu s GLN 309 Ca 0.30 0.24 -0.29 0.00 0.02 0.00 0.00 55.36 55.63 1uiu s GLN 309 Cb -0.14 -1.76 -0.01 0.00 1.00 0.00 0.00 33.01 32.11 1uiu s GLN 309 CO 0.15 -2.67 1.43 -0.47 -2.12 0.00 0.00 175.29 171.61 1uiu s TYR 310 N -3.17 2.43 -0.49 0.91 5.04 -1.26 -4.48 117.35 116.33 1uiu s TYR 310 Ca 0.66 0.73 0.06 0.00 -2.44 0.00 0.00 57.07 56.09 1uiu s TYR 310 Cb -0.14 -4.01 0.20 0.00 0.35 0.00 0.00 41.96 38.35 1uiu s TYR 310 CO 0.55 -2.16 0.67 -3.47 -1.34 0.00 0.00 175.55 169.80 1uiu n ASP 311 N 8.19 -2.61 0.09 4.32 -0.08 0.71 -4.99 116.55 122.17 1uiu n ASP 311 Ca 0.17 -2.86 0.05 0.00 -1.51 0.00 0.00 54.79 50.64 1uiu n ASP 311 Cb 0.46 1.19 0.49 0.00 2.34 0.00 0.00 41.12 45.61 1uiu n ASP 311 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uiu h PRO 312 N 4.92 0.36 -0.22 -0.67 0.11 -1.89 -2.16 132.00 132.44 1uiu h PRO 312 Ca 0.07 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.17 1uiu h PRO 312 Cb 1.05 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1uiu h PRO 312 CO 0.15 0.25 0.09 1.96 -0.21 0.00 0.00 178.00 180.25 1uiu h GLN 313 N 0.37 0.20 -0.17 1.05 7.50 -1.94 -0.18 115.11 121.94 1uiu h GLN 313 Ca 0.10 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.17 1uiu h GLN 313 Cb -0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 1uiu h GLN 313 CO -0.02 0.13 -0.21 0.87 -1.50 0.00 0.00 178.83 178.11 1uiu h LYS 314 N 0.21 0.30 -0.24 1.46 1.57 -1.81 -2.47 116.57 115.58 1uiu h LYS 314 Ca 0.09 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1uiu h LYS 314 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1uiu h LYS 314 CO -0.08 0.50 0.04 0.00 -0.57 0.00 0.00 179.45 179.34 1uiu h ALA 315 N 1.52 0.32 -0.64 3.86 0.00 -1.03 -2.45 119.26 120.84 1uiu h ALA 315 Ca 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1uiu h ALA 315 Cb 0.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1uiu h ALA 315 CO 0.04 -0.01 0.21 0.87 0.00 0.00 0.00 179.25 180.36 1uiu h LYS 316 N 0.21 0.97 -0.31 0.00 1.57 -0.78 -1.75 116.57 116.48 1uiu h LYS 316 Ca 0.07 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1uiu h LYS 316 Cb 0.31 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1uiu h LYS 316 CO 0.00 0.82 -0.35 0.00 -0.57 0.00 0.00 179.45 179.35 1uiu h ALA 317 N 1.29 0.79 -0.18 3.86 0.00 -1.27 0.20 119.26 123.96 1uiu h ALA 317 Ca 0.21 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1uiu h ALA 317 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1uiu h ALA 317 CO -0.01 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.93 1uiu h LEU 318 N 0.59 0.21 -0.30 0.00 3.38 -0.96 -1.73 115.31 116.50 1uiu h LEU 318 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1uiu h LEU 318 Cb 0.88 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1uiu h LEU 318 CO 0.08 0.17 0.16 -0.07 0.09 0.00 0.00 178.44 178.87 1uiu h LEU 319 N 0.23 0.37 -0.61 1.67 3.38 -1.05 -1.75 115.31 117.55 1uiu h LEU 319 Ca 0.06 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1uiu h LEU 319 Cb -0.01 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1uiu h LEU 319 CO -0.01 0.35 0.22 -0.33 0.09 0.00 0.00 178.44 178.76 1uiu h GLU 320 N 0.37 0.38 0.00 1.13 4.39 -0.84 -0.50 114.58 119.51 1uiu h GLU 320 Ca 0.11 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1uiu h GLU 320 Cb 0.06 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1uiu h GLU 320 CO -0.02 0.25 -0.28 -0.22 -1.16 0.00 0.00 179.01 177.59 1uiu h LYS 321 N 0.39 0.00 -0.09 2.33 3.64 -1.19 -1.56 116.57 120.10 1uiu h LYS 321 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1uiu h LYS 321 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1uiu h LYS 321 CO -0.31 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.15 1uiu n ALA 322 N -2.38 2.56 -0.63 5.00 0.00 -0.38 -4.88 120.51 119.79 1uiu n ALA 322 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1uiu n ALA 322 Cb 0.36 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1uiu n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uiu n GLY 323 N 0.98 0.69 3.43 0.00 0.00 -0.59 -5.00 105.19 104.71 1uiu n GLY 323 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1uiu n GLY 323 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uiu s TRP 324 N -2.05 3.25 0.09 1.61 0.52 -0.34 -4.22 118.94 117.80 1uiu s TRP 324 Ca 0.00 -1.55 -0.15 0.00 0.02 0.00 0.00 56.10 54.42 1uiu s TRP 324 Cb 0.00 -4.22 -0.06 0.00 -1.15 0.00 0.00 33.47 28.04 1uiu s TRP 324 CO 0.00 -1.41 0.51 -0.08 0.02 0.00 0.00 176.95 175.99 1uiu s THR 325 N 2.21 4.89 -0.53 2.01 -1.32 -0.43 -3.45 115.64 119.01 1uiu s THR 325 Ca 0.32 0.88 -0.23 0.00 -1.21 0.00 0.00 61.69 61.44 1uiu s THR 325 Cb -0.05 -3.76 0.04 0.00 -1.51 0.00 0.00 72.50 67.22 1uiu s THR 325 CO -0.09 0.39 0.89 -0.22 -2.21 0.00 0.00 174.62 173.39 1uiu s LEU 326 N -1.57 4.21 0.46 9.08 0.20 -1.26 -1.30 118.68 128.51 1uiu s LEU 326 Ca 0.32 -0.38 -0.23 0.00 0.69 0.00 0.00 54.13 54.52 1uiu s LEU 326 Cb -0.16 -2.81 -0.07 0.00 -0.43 0.00 0.00 46.19 42.72 1uiu s LEU 326 CO 0.18 -1.16 1.24 -2.84 -0.29 0.00 0.00 176.35 173.48 1uiu s PRO 327 N 3.73 3.68 0.19 0.98 0.02 -1.26 -4.94 135.00 137.40 1uiu s PRO 327 Ca 0.29 1.97 -0.33 0.00 0.02 0.00 0.00 61.00 62.95 1uiu s PRO 327 Cb -0.13 -2.47 -0.14 0.00 0.02 0.00 0.00 34.50 31.78 1uiu s PRO 327 CO 0.19 -0.68 1.40 0.00 -0.33 0.00 0.00 177.00 177.58 1uiu n ALA 328 N -0.44 0.59 -0.94 -1.55 0.00 -1.26 -2.28 120.51 114.62 1uiu n ALA 328 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1uiu n ALA 328 Cb 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1uiu n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uiu n GLY 329 N 2.49 0.33 3.37 0.00 0.00 -1.26 -5.02 105.19 105.11 1uiu n GLY 329 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1uiu n GLY 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uiu s LYS 330 N -0.82 1.37 0.00 1.61 -0.14 -0.97 -5.06 119.74 115.75 1uiu s LYS 330 Ca 0.00 -1.46 0.20 0.00 -1.36 0.00 0.00 55.97 53.36 1uiu s LYS 330 Cb 0.00 -1.54 -0.22 0.00 -1.68 0.00 0.00 37.83 34.39 1uiu s LYS 330 CO 0.00 0.32 0.59 -0.25 -0.76 0.00 0.00 175.35 175.25 1uiu n ASP 331 N 0.28 0.34 -4.69 2.83 8.00 -1.26 -4.61 116.55 117.43 1uiu n ASP 331 Ca -0.13 0.14 -0.35 0.00 0.71 0.00 0.00 54.79 55.16 1uiu n ASP 331 Cb 0.57 1.16 -0.09 0.00 -0.02 0.00 0.00 41.12 42.74 1uiu n ASP 331 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1uiu s ILE 332 N -3.19 4.88 0.76 0.53 -1.09 -1.26 -4.11 121.20 117.72 1uiu s ILE 332 Ca -0.06 -0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.24 1uiu s ILE 332 Cb 0.11 -3.17 0.05 0.00 -1.58 0.00 0.00 42.46 37.87 1uiu s ILE 332 CO 0.85 0.51 1.08 -0.13 -1.23 0.00 0.00 174.94 176.02 1uiu s ARG 333 N -0.07 2.39 -0.04 2.79 0.52 -0.56 -4.61 118.95 119.37 1uiu s ARG 333 Ca 0.07 0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 56.00 1uiu s ARG 333 Cb -0.12 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.43 1uiu s ARG 333 CO 0.01 -1.46 0.25 -1.83 0.02 0.00 0.00 175.30 172.29 1uiu s GLU 334 N -5.07 0.50 -0.12 3.54 4.04 -0.42 -0.16 118.70 121.02 1uiu s GLU 334 Ca 0.60 -0.07 -0.00 0.00 0.04 0.00 0.00 54.97 55.54 1uiu s GLU 334 Cb -0.15 0.22 0.02 0.00 0.02 0.00 0.00 34.13 34.25 1uiu s GLU 334 CO 0.55 -0.12 -0.09 0.21 -1.84 0.00 0.00 175.26 173.97 1uiu s LYS 335 N -0.87 1.70 -1.60 -4.83 2.20 -0.08 -1.31 119.74 114.95 1uiu s LYS 335 Ca -0.10 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.10 1uiu s LYS 335 Cb -0.05 -1.67 0.08 0.00 -1.51 0.00 0.00 37.83 34.68 1uiu s LYS 335 CO 0.02 -0.23 0.40 -1.71 -0.36 0.00 0.00 175.35 173.47 1uiu n ASN 336 N 4.80 -0.84 0.00 1.43 5.15 -1.26 -1.27 115.26 123.28 1uiu n ASN 336 Ca -0.14 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.70 1uiu n ASN 336 Cb 0.50 -2.27 0.00 0.00 -0.53 0.00 0.00 39.78 37.49 1uiu n ASN 336 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uiu n GLY 337 N -1.89 0.67 3.47 8.20 0.00 -1.26 -5.02 105.19 109.35 1uiu n GLY 337 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1uiu n GLY 337 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1uiu s GLN 338 N -0.77 3.70 0.39 1.61 2.00 -0.39 -5.07 119.66 121.12 1uiu s GLN 338 Ca 0.00 -0.46 -0.28 0.00 -2.00 0.00 0.00 55.36 52.62 1uiu s GLN 338 Cb 0.00 -3.39 -0.11 0.00 0.80 0.00 0.00 33.01 30.31 1uiu s GLN 338 CO 0.00 -0.20 1.49 -2.14 -0.50 0.00 0.00 175.29 173.95 1uiu s PRO 339 N 1.64 4.05 -0.65 1.67 0.02 -1.26 -0.90 135.00 139.58 1uiu s PRO 339 Ca 0.06 2.58 -0.26 0.00 0.02 0.00 0.00 61.00 63.40 1uiu s PRO 339 Cb -0.15 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 1uiu s PRO 339 CO 0.05 -0.58 1.89 -1.17 -0.33 0.00 0.00 177.00 176.85 1uiu s LEU 340 N -2.17 3.27 0.03 -5.54 2.96 0.78 -4.89 118.68 113.12 1uiu s LEU 340 Ca 0.54 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.75 1uiu s LEU 340 Cb -0.47 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 1uiu s LEU 340 CO 0.63 -2.44 -0.22 -0.13 -1.32 0.00 0.00 176.35 172.87 1uiu s ARG 341 N 7.07 1.57 -0.03 1.98 0.52 -1.26 -0.82 118.95 127.97 1uiu s ARG 341 Ca 0.68 -0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1uiu s ARG 341 Cb -0.12 -1.67 0.01 0.00 0.52 0.00 0.00 34.95 33.70 1uiu s ARG 341 CO 0.18 0.43 0.08 0.42 0.02 0.00 0.00 175.30 176.43 1uiu s ILE 342 N -0.75 -0.01 -0.14 1.52 1.01 -0.84 -4.48 121.20 117.51 1uiu s ILE 342 Ca 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 1uiu s ILE 342 Cb -0.09 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 1uiu s ILE 342 CO 0.01 0.02 0.01 -0.70 0.00 0.00 0.00 174.94 174.28 1uiu s GLU 343 N 0.30 3.58 -0.20 2.79 2.12 -1.26 -1.15 118.70 124.87 1uiu s GLU 343 Ca -0.02 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1uiu s GLU 343 Cb -0.03 -2.98 0.04 0.00 0.26 0.00 0.00 34.13 31.42 1uiu s GLU 343 CO -0.01 0.39 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.79 1uiu s LEU 344 N 0.00 2.41 -0.18 2.70 2.96 -0.30 -0.14 118.68 126.14 1uiu s LEU 344 Ca 0.03 -0.87 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 1uiu s LEU 344 Cb -0.13 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1uiu s LEU 344 CO 0.02 -0.10 0.11 -0.44 -1.32 0.00 0.00 176.35 174.62 1uiu s SER 345 N 1.31 6.07 0.22 3.68 0.01 -0.65 -0.76 113.70 123.58 1uiu s SER 345 Ca -0.00 0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.35 1uiu s SER 345 Cb -0.16 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.05 1uiu s SER 345 CO -0.09 0.23 0.48 0.72 0.41 0.00 0.00 173.24 174.99 1uiu s PHE 346 N 0.06 0.15 -0.26 2.43 -0.12 -0.45 -3.70 117.98 116.09 1uiu s PHE 346 Ca 0.08 -0.52 -0.28 0.00 -0.05 0.00 0.00 56.93 56.17 1uiu s PHE 346 Cb -0.11 0.26 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1uiu s PHE 346 CO -0.00 -0.94 0.98 -1.50 -0.05 0.00 0.00 175.22 173.71 1uiu s ILE 347 N -3.95 4.68 0.54 -4.49 1.10 -1.26 -1.80 121.20 116.02 1uiu s ILE 347 Ca 0.16 1.78 0.39 0.00 -0.51 0.00 0.00 60.65 62.47 1uiu s ILE 347 Cb -0.01 -4.28 0.41 0.00 0.15 0.00 0.00 42.46 38.73 1uiu s ILE 347 CO 0.03 -0.24 2.27 1.23 -2.11 0.00 0.00 174.94 176.12 1uiu h GLY 348 N 9.56 0.00 -0.85 1.50 0.00 -1.26 0.25 103.07 112.27 1uiu h GLY 348 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1uiu h GLY 348 CO 0.96 0.00 -0.15 -1.30 0.00 0.00 0.00 176.54 176.05 1uiu n THR 349 N -3.24 0.00 -2.97 4.70 -2.24 -1.26 -4.77 114.28 104.49 1uiu n THR 349 Ca -0.02 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 1uiu n THR 349 Cb 0.13 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1uiu n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uiu s ASP 350 N -2.20 6.27 0.18 3.42 -1.08 0.08 -4.90 116.67 118.43 1uiu s ASP 350 Ca 0.28 -0.68 -0.11 0.00 -0.52 0.00 0.00 52.55 51.52 1uiu s ASP 350 Cb 0.20 -2.37 0.08 0.00 -1.46 0.00 0.00 42.92 39.37 1uiu s ASP 350 CO 0.41 -1.12 1.73 0.00 0.52 0.00 0.00 175.17 176.71 1uiu h ALA 351 N 9.22 0.81 -0.47 3.66 0.00 -1.86 0.13 119.26 130.75 1uiu h ALA 351 Ca -0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1uiu h ALA 351 Cb 1.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1uiu h ALA 351 CO 1.05 0.42 0.26 -0.07 0.00 0.00 0.00 179.25 180.92 1uiu h LEU 352 N 0.87 0.58 -0.57 0.00 3.38 -1.97 0.18 115.31 117.78 1uiu h LEU 352 Ca 0.21 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1uiu h LEU 352 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1uiu h LEU 352 CO -0.02 0.49 0.12 0.28 0.09 0.00 0.00 178.44 179.41 1uiu h SER 353 N 0.62 0.88 -0.29 -0.43 0.02 -1.84 0.60 113.55 113.11 1uiu h SER 353 Ca 0.17 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1uiu h SER 353 Cb 0.04 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1uiu h SER 353 CO -0.03 0.89 0.14 0.50 -1.14 0.00 0.00 176.83 177.20 1uiu h LYS 354 N 0.82 0.42 -0.76 3.45 3.64 -0.10 -0.90 116.57 123.13 1uiu h LYS 354 Ca 0.18 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1uiu h LYS 354 Cb 0.37 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1uiu h LYS 354 CO 0.00 0.39 0.39 0.77 -2.27 0.00 0.00 179.45 178.74 1uiu h SER 355 N 0.34 0.98 -0.65 4.20 0.02 -0.35 -1.66 113.55 116.44 1uiu h SER 355 Ca 0.10 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1uiu h SER 355 Cb 0.11 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1uiu h SER 355 CO -0.01 0.82 0.10 0.24 -1.14 0.00 0.00 176.83 176.84 1uiu h MET 356 N 1.07 1.08 -0.42 3.45 2.86 -0.52 -2.41 114.93 120.05 1uiu h MET 356 Ca 0.27 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1uiu h MET 356 Cb 0.08 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1uiu h MET 356 CO -0.04 0.99 -0.22 0.00 1.06 0.00 0.00 176.91 178.71 1uiu h ALA 357 N 1.09 0.82 -0.67 6.32 0.00 -0.85 -0.35 119.26 125.62 1uiu h ALA 357 Ca 0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1uiu h ALA 357 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1uiu h ALA 357 CO 0.01 0.65 0.29 0.93 0.00 0.00 0.00 179.25 181.13 1uiu h GLU 358 N 0.73 0.99 -0.73 0.00 5.08 -1.24 -0.68 114.58 118.73 1uiu h GLU 358 Ca 0.10 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1uiu h GLU 358 Cb 0.75 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1uiu h GLU 358 CO 0.06 0.80 0.24 0.82 -1.00 0.00 0.00 179.01 179.93 1uiu h ILE 359 N 0.94 1.26 -0.52 3.13 2.04 -0.84 -2.73 117.51 120.80 1uiu h ILE 359 Ca 0.23 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 1uiu h ILE 359 Cb 0.17 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1uiu h ILE 359 CO -0.02 0.35 -0.04 0.40 0.00 0.00 0.00 178.15 178.84 1uiu h ILE 360 N 1.08 1.26 -0.12 -0.67 2.04 -0.91 -1.51 117.51 118.68 1uiu h ILE 360 Ca 0.24 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1uiu h ILE 360 Cb 0.29 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1uiu h ILE 360 CO -0.01 0.40 0.02 -0.09 0.00 0.00 0.00 178.15 178.47 1uiu h ARG 361 N 0.82 0.07 -0.44 2.37 2.43 -0.83 -0.37 114.38 118.43 1uiu h ARG 361 Ca 0.15 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1uiu h ARG 361 Cb 0.54 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1uiu h ARG 361 CO 0.03 0.05 0.19 0.00 -1.51 0.00 0.00 179.97 178.72 1uiu h ALA 362 N 1.09 0.57 -0.75 2.80 0.00 -1.22 0.11 119.26 121.86 1uiu h ALA 362 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1uiu h ALA 362 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1uiu h ALA 362 CO -0.08 0.16 0.27 -0.44 0.00 0.00 0.00 179.25 179.17 1uiu h ASP 363 N 0.57 1.05 0.88 0.00 3.32 -1.09 -2.46 116.42 118.70 1uiu h ASP 363 Ca 0.15 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1uiu h ASP 363 Cb 0.17 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1uiu h ASP 363 CO -0.01 0.96 -0.47 0.24 -1.72 0.00 0.00 179.24 178.23 1uiu h MET 364 N 1.09 0.00 0.00 3.56 2.86 -0.79 -2.01 114.93 119.64 1uiu h MET 364 Ca 0.25 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1uiu h MET 364 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1uiu h MET 364 CO -0.02 0.47 -0.19 -0.09 1.06 0.00 0.00 176.91 178.15 1uiu h ARG 365 N 0.00 0.00 0.00 1.72 2.43 -0.33 -1.03 114.38 117.17 1uiu h ARG 365 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uiu h ARG 365 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1uiu h ARG 365 CO 0.06 0.19 0.00 1.04 -1.51 0.00 0.00 179.97 179.75 1uiu n GLN 366 N -3.54 0.16 -0.14 0.20 1.13 -0.76 -1.63 117.38 112.80 1uiu n GLN 366 Ca -0.01 0.26 0.07 0.00 -1.94 0.00 0.00 57.00 55.37 1uiu n GLN 366 Cb 0.33 -1.73 0.14 0.00 0.11 0.00 0.00 30.24 29.09 1uiu n GLN 366 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1uiu n ILE 367 N -2.02 0.64 0.00 5.09 -5.35 -0.46 -4.98 119.36 112.29 1uiu n ILE 367 Ca 0.04 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 1uiu n ILE 367 Cb 0.31 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1uiu n ILE 367 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uiu n GLY 368 N 0.72 0.98 3.59 3.28 0.00 -0.65 -4.76 105.19 108.36 1uiu n GLY 368 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1uiu n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uiu s ALA 369 N -2.00 3.25 -0.46 4.61 0.00 -0.79 -1.49 121.76 124.87 1uiu s ALA 369 Ca 0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 1uiu s ALA 369 Cb 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.40 1uiu s ALA 369 CO 0.00 0.23 0.65 0.34 0.00 0.00 0.00 175.76 176.97 1uiu s ASP 370 N 0.27 6.29 -0.34 0.00 -1.08 -0.00 -3.10 116.67 118.69 1uiu s ASP 370 Ca 0.01 -0.52 -0.14 0.00 -0.52 0.00 0.00 52.55 51.38 1uiu s ASP 370 Cb -0.13 -2.31 -0.01 0.00 -1.46 0.00 0.00 42.92 39.00 1uiu s ASP 370 CO 0.01 -0.83 0.32 -0.69 0.52 0.00 0.00 175.17 174.50 1uiu s VAL 371 N 2.81 5.21 0.31 1.11 1.01 -1.26 -1.98 120.40 127.60 1uiu s VAL 371 Ca 0.20 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1uiu s VAL 371 Cb -0.16 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1uiu s VAL 371 CO 0.17 -0.07 0.90 -0.44 0.00 0.00 0.00 175.10 175.66 1uiu s SER 372 N 1.73 7.28 -0.20 3.32 0.01 -0.30 -4.89 113.70 120.65 1uiu s SER 372 Ca 0.09 1.76 -0.02 0.00 1.31 0.00 0.00 55.95 59.09 1uiu s SER 372 Cb -0.17 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1uiu s SER 372 CO 0.11 -0.05 -0.10 -0.76 0.41 0.00 0.00 173.24 172.85 1uiu s LEU 373 N -2.05 2.63 -0.29 2.44 1.02 -1.26 -1.14 118.68 120.02 1uiu s LEU 373 Ca 0.49 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 54.21 1uiu s LEU 373 Cb -0.18 -1.64 0.07 0.00 0.02 0.00 0.00 46.19 44.46 1uiu s LEU 373 CO 0.23 0.00 -0.05 -0.63 0.02 0.00 0.00 176.35 175.92 1uiu s ILE 374 N 1.31 2.22 -0.18 -0.59 -1.09 0.06 -4.98 121.20 117.95 1uiu s ILE 374 Ca 0.04 -1.87 -0.05 0.00 -2.23 0.00 0.00 60.65 56.54 1uiu s ILE 374 Cb -0.14 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1uiu s ILE 374 CO -0.05 -0.22 -0.01 -0.83 -1.23 0.00 0.00 174.94 172.59 1uiu s GLY 375 N 1.04 1.74 0.18 6.18 0.00 -1.26 -1.33 107.32 113.86 1uiu s GLY 375 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1uiu s GLY 375 CO -0.06 0.07 0.09 -0.54 0.00 0.00 0.00 173.10 172.66 1uiu s GLU 376 N 0.61 1.12 0.57 2.90 2.02 -0.74 -4.53 118.70 120.65 1uiu s GLU 376 Ca -0.01 -1.57 -0.18 0.00 0.02 0.00 0.00 54.97 53.23 1uiu s GLU 376 Cb -0.14 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1uiu s GLU 376 CO 0.02 -0.32 1.12 -1.83 0.02 0.00 0.00 175.26 174.28 1uiu s GLU 377 N -4.09 3.21 0.31 1.61 -1.05 -1.26 -0.92 118.70 116.50 1uiu s GLU 377 Ca 0.33 1.55 0.04 0.00 -0.15 0.00 0.00 54.97 56.74 1uiu s GLU 377 Cb 0.07 -1.99 0.81 0.00 -0.44 0.00 0.00 34.13 32.58 1uiu s GLU 377 CO 0.08 -0.95 1.61 1.49 0.95 0.00 0.00 175.26 178.43 1uiu h GLU 378 N 0.89 0.09 -0.32 -4.83 4.81 -1.95 -1.72 114.58 111.55 1uiu h GLU 378 Ca -0.49 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1uiu h GLU 378 Cb 1.26 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1uiu h GLU 378 CO 0.56 0.06 -0.16 0.66 -0.73 0.00 0.00 179.01 179.40 1uiu h SER 379 N 0.10 0.70 -0.67 1.04 4.64 -2.00 -1.51 113.55 115.84 1uiu h SER 379 Ca 0.61 -0.41 0.07 0.00 -0.47 0.00 0.00 61.79 61.59 1uiu h SER 379 Cb 1.31 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1uiu h SER 379 CO -0.78 0.96 0.45 -1.28 -0.87 0.00 0.00 176.83 175.30 1uiu h SER 380 N 0.44 0.56 0.01 4.97 0.87 -1.69 -1.81 113.55 116.89 1uiu h SER 380 Ca 0.07 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.48 1uiu h SER 380 Cb 0.70 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1uiu h SER 380 CO 0.05 0.35 -0.52 0.40 -0.53 0.00 0.00 176.83 176.59 1uiu h ILE 381 N 0.63 1.32 -0.48 2.23 1.08 -1.00 -1.64 117.51 119.64 1uiu h ILE 381 Ca 0.30 -1.75 -0.12 0.00 -0.39 0.00 0.00 64.86 62.90 1uiu h ILE 381 Cb 0.35 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 1uiu h ILE 381 CO -0.10 0.55 -0.18 1.88 -0.69 0.00 0.00 178.15 179.61 1uiu h TYR 382 N 0.44 1.09 -0.56 1.37 0.05 -0.90 0.36 116.97 118.81 1uiu h TYR 382 Ca 0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 58.73 58.52 1uiu h TYR 382 Cb 1.05 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.51 1uiu h TYR 382 CO 0.04 1.05 0.25 0.00 -1.05 0.00 0.00 178.16 178.45 1uiu h ALA 383 N 0.95 0.73 -0.34 3.88 0.00 -1.27 -1.49 119.26 121.72 1uiu h ALA 383 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1uiu h ALA 383 Cb 0.74 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1uiu h ALA 383 CO 0.06 0.32 0.13 0.00 0.00 0.00 0.00 179.25 179.76 1uiu h ARG 384 N 0.77 0.27 0.08 0.00 3.08 -0.47 -0.44 114.38 117.68 1uiu h ARG 384 Ca 0.19 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1uiu h ARG 384 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1uiu h ARG 384 CO -0.02 0.18 -0.17 1.96 -1.07 0.00 0.00 179.97 180.85 1uiu h GLN 385 N 0.28 -0.31 -0.81 0.04 4.20 -0.74 -0.68 115.11 117.09 1uiu h GLN 385 Ca 0.15 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.98 1uiu h GLN 385 Cb 0.11 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 1uiu h GLN 385 CO -0.14 -0.21 0.45 0.00 -0.67 0.00 0.00 178.83 178.26 1uiu h ARG 386 N -0.32 0.72 0.00 1.46 3.08 -0.86 -2.80 114.38 115.66 1uiu h ARG 386 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1uiu h ARG 386 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1uiu h ARG 386 CO -0.10 0.48 -0.25 -0.25 -1.07 0.00 0.00 179.97 178.77 1uiu n ASP 387 N -4.78 0.28 -1.57 7.04 8.00 -0.21 -4.37 116.55 120.94 1uiu n ASP 387 Ca 0.14 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.64 1uiu n ASP 387 Cb 0.30 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1uiu n ASP 387 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uiu n GLY 388 N 1.49 0.07 2.87 0.44 0.00 -0.68 -4.95 105.19 104.43 1uiu n GLY 388 Ca 0.06 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1uiu n GLY 388 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uiu n ARG 389 N -2.44 4.41 -3.47 1.61 0.63 -0.35 -4.92 116.66 112.14 1uiu n ARG 389 Ca -0.17 -4.21 -0.11 0.00 -0.92 0.00 0.00 57.85 52.44 1uiu n ARG 389 Cb 0.61 -2.62 -0.02 0.00 0.45 0.00 0.00 32.46 30.87 1uiu n ARG 389 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 1uiu s PHE 390 N -2.05 -0.46 -0.20 -0.14 -0.12 -1.26 -4.78 117.98 108.96 1uiu s PHE 390 Ca 0.36 0.26 -0.16 0.00 -0.05 0.00 0.00 56.93 57.34 1uiu s PHE 390 Cb 0.09 0.56 -0.12 0.00 -0.63 0.00 0.00 43.02 42.93 1uiu s PHE 390 CO 0.03 -0.78 -0.10 0.41 -0.05 0.00 0.00 175.22 174.73 1uiu n GLY 391 N -0.35 -0.74 3.14 1.99 0.00 -1.13 -4.62 105.19 103.48 1uiu n GLY 391 Ca -0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1uiu n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uiu s MET 392 N -2.44 0.74 -0.08 1.61 1.00 0.80 -0.01 119.30 120.91 1uiu s MET 392 Ca -0.28 -1.08 -0.14 0.00 0.00 0.00 0.00 55.69 54.20 1uiu s MET 392 Cb 0.07 -0.35 0.03 0.00 0.00 0.00 0.00 34.83 34.57 1uiu s MET 392 CO 0.45 0.04 0.34 -1.50 0.00 0.00 0.00 175.02 174.36 1uiu s ILE 393 N -2.46 0.02 0.56 2.53 2.07 -0.63 -1.64 121.20 121.66 1uiu s ILE 393 Ca 0.02 -0.19 -0.20 0.00 -1.41 0.00 0.00 60.65 58.87 1uiu s ILE 393 Cb -0.03 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 41.96 1uiu s ILE 393 CO -0.01 -0.10 1.22 -0.36 -1.91 0.00 0.00 174.94 173.77 1uiu s PHE 394 N -0.44 2.48 0.09 3.50 0.40 -1.24 -0.22 117.98 122.56 1uiu s PHE 394 Ca -0.06 1.50 -0.19 0.00 -0.60 0.00 0.00 56.93 57.59 1uiu s PHE 394 Cb -0.04 -3.50 0.04 0.00 0.51 0.00 0.00 43.02 40.04 1uiu s PHE 394 CO 0.02 -2.15 0.46 -1.58 0.70 0.00 0.00 175.22 172.67 1uiu s HIS 395 N -1.55 -0.32 0.02 0.36 2.46 -0.31 -4.80 115.29 111.15 1uiu s HIS 395 Ca 0.74 0.16 -0.05 0.00 0.47 0.00 0.00 55.06 56.38 1uiu s HIS 395 Cb -0.31 0.31 -0.01 0.00 -0.13 0.00 0.00 32.58 32.44 1uiu s HIS 395 CO 0.35 -0.68 0.08 -0.98 -2.47 0.00 0.00 174.74 171.03 1uiu s ARG 396 N -3.20 0.47 1.17 2.88 1.70 -1.26 -1.15 118.95 119.56 1uiu s ARG 396 Ca -0.01 -0.57 -0.20 0.00 -0.47 0.00 0.00 55.73 54.49 1uiu s ARG 396 Cb 0.00 0.18 0.28 0.00 -0.57 0.00 0.00 34.95 34.85 1uiu s ARG 396 CO -0.08 -0.11 1.18 0.95 -1.08 0.00 0.00 175.30 176.17 1uiu s THR 397 N -1.78 1.65 -1.73 4.99 -4.23 -0.69 -4.96 115.64 108.89 1uiu s THR 397 Ca -0.12 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.58 1uiu s THR 397 Cb -0.06 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 1uiu s THR 397 CO -0.01 0.00 0.95 0.79 -0.54 0.00 0.00 174.62 175.81 1uiu n TRP 398 N -4.59 0.00 0.00 3.99 7.02 -1.26 -4.67 117.44 117.93 1uiu n TRP 398 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 1uiu n TRP 398 Cb 0.60 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 1uiu n TRP 398 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1uiu n GLY 399 N 1.25 -2.15 3.77 6.99 0.00 -1.26 -4.80 105.19 109.00 1uiu n GLY 399 Ca 0.08 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 1uiu n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uiu s ALA 400 N -2.61 3.19 -0.54 4.61 0.00 -1.26 -0.75 121.76 124.40 1uiu s ALA 400 Ca 0.00 0.96 0.12 0.00 0.00 0.00 0.00 51.96 53.04 1uiu s ALA 400 Cb 0.00 -3.37 0.67 0.00 0.00 0.00 0.00 23.12 20.42 1uiu s ALA 400 CO 0.00 -0.48 1.54 -0.35 0.00 0.00 0.00 175.76 176.47 1uiu n PRO 401 N 0.21 4.08 0.09 0.00 -0.04 -1.26 -2.25 135.00 135.83 1uiu n PRO 401 Ca 0.04 -2.60 -0.05 0.00 -0.04 0.00 0.00 63.50 60.85 1uiu n PRO 401 Cb 0.46 -2.08 0.01 0.00 -0.04 0.00 0.00 33.50 31.85 1uiu n PRO 401 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1uiu h TYR 402 N 3.37 0.05 -3.12 0.54 -1.99 -1.25 -3.46 116.97 111.11 1uiu h TYR 402 Ca 0.00 -0.03 -0.60 0.00 2.00 0.00 0.00 58.73 60.10 1uiu h TYR 402 Cb 1.65 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 40.32 1uiu h TYR 402 CO 0.87 0.85 -0.16 -0.51 -0.00 0.00 0.00 178.16 179.21 1uiu s ASP 403 N -6.80 6.84 0.04 3.88 1.01 -1.11 0.40 116.67 120.93 1uiu s ASP 403 Ca -0.01 1.00 0.25 0.00 0.71 0.00 0.00 52.55 54.50 1uiu s ASP 403 Cb 0.11 -2.28 0.48 0.00 1.01 0.00 0.00 42.92 42.24 1uiu s ASP 403 CO 0.80 0.26 1.40 -0.81 0.21 0.00 0.00 175.17 177.03 1uiu n PRO 404 N 2.15 0.11 -0.21 8.23 -0.04 -1.26 -4.55 135.00 139.41 1uiu n PRO 404 Ca -0.12 0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.29 1uiu n PRO 404 Cb 0.52 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1uiu n PRO 404 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1uiu h HIS 405 N 0.00 0.95 -0.02 0.54 2.07 -1.70 -1.47 115.15 115.51 1uiu h HIS 405 Ca 0.00 -0.09 -0.25 0.00 -2.85 0.00 0.00 60.37 57.18 1uiu h HIS 405 Cb 0.59 -0.28 0.02 0.00 2.57 0.00 0.00 27.41 30.31 1uiu h HIS 405 CO 0.00 0.78 -0.98 0.00 -3.07 0.00 0.00 177.93 174.66 1uiu h ALA 406 N 1.06 0.15 -0.53 6.11 0.00 -0.39 -0.70 119.26 124.97 1uiu h ALA 406 Ca 0.19 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1uiu h ALA 406 Cb 0.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1uiu h ALA 406 CO -0.01 0.66 0.16 0.35 0.00 0.00 0.00 179.25 180.42 1uiu h PHE 407 N 0.39 0.86 -0.17 0.00 3.04 -1.57 -2.23 116.94 117.27 1uiu h PHE 407 Ca -0.12 -0.09 -0.05 0.00 3.98 0.00 0.00 57.97 61.69 1uiu h PHE 407 Cb 1.63 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.89 1uiu h PHE 407 CO 0.10 0.74 -0.09 -0.07 -2.02 0.00 0.00 178.31 176.98 1uiu h LEU 408 N 0.74 0.37 -0.81 0.59 3.38 -1.24 -2.98 115.31 115.36 1uiu h LEU 408 Ca 0.17 -0.42 0.19 0.00 0.09 0.00 0.00 57.88 57.92 1uiu h LEU 408 Cb 0.29 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 1uiu h LEU 408 CO -0.00 0.71 0.10 -1.28 0.09 0.00 0.00 178.44 178.05 1uiu h SER 409 N 0.03 -0.21 0.47 -0.43 0.87 -1.08 -1.49 113.55 111.71 1uiu h SER 409 Ca 0.04 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1uiu h SER 409 Cb 0.57 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1uiu h SER 409 CO 0.03 -0.16 -0.04 0.77 -0.53 0.00 0.00 176.83 176.90 1uiu h SER 410 N 0.15 0.00 0.11 6.23 4.64 -1.25 -1.88 113.55 121.56 1uiu h SER 410 Ca 0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.78 1uiu h SER 410 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1uiu h SER 410 CO -0.66 0.04 -0.05 0.24 -0.87 0.00 0.00 176.83 175.53 1uiu h MET 411 N 0.00 0.00 0.00 4.77 2.07 -1.22 -2.73 114.93 117.82 1uiu h MET 411 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1uiu h MET 411 Cb 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1uiu h MET 411 CO 0.00 0.05 0.00 0.54 1.07 0.00 0.00 176.91 178.57 1uiu n ARG 412 N -3.88 0.11 -3.10 1.72 1.74 -0.71 -3.24 116.66 109.30 1uiu n ARG 412 Ca -0.03 0.19 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1uiu n ARG 412 Cb 0.14 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 1uiu n ARG 412 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1uiu s VAL 413 N -3.09 4.91 0.59 1.55 1.01 -1.03 -4.97 120.40 119.37 1uiu s VAL 413 Ca 0.10 0.77 0.29 0.00 0.00 0.00 0.00 61.98 63.14 1uiu s VAL 413 Cb 0.13 -4.04 0.36 0.00 0.00 0.00 0.00 36.38 32.84 1uiu s VAL 413 CO 0.46 -0.21 2.12 -0.65 0.00 0.00 0.00 175.10 176.82 1uiu h PRO 414 N 8.29 0.00 -0.61 2.72 0.11 -1.90 -2.56 132.00 138.06 1uiu h PRO 414 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1uiu h PRO 414 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1uiu h PRO 414 CO 0.82 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.04 1uiu n SER 415 N -3.77 1.96 -4.48 -2.05 7.64 -1.26 -4.72 113.62 106.94 1uiu n SER 415 Ca 0.01 -2.17 -0.24 0.00 1.01 0.00 0.00 58.87 57.48 1uiu n SER 415 Cb 0.30 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 1uiu n SER 415 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1uiu s HIS 416 N -1.61 2.23 0.18 1.43 3.76 -0.96 -4.13 115.29 116.20 1uiu s HIS 416 Ca 0.16 -0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 1uiu s HIS 416 Cb 0.11 -1.12 0.11 0.00 1.11 0.00 0.00 32.58 32.78 1uiu s HIS 416 CO 0.07 0.59 1.83 0.00 -0.85 0.00 0.00 174.74 176.38 1uiu h ALA 417 N 2.21 0.72 -0.39 -1.40 0.00 -1.86 -1.46 119.26 117.08 1uiu h ALA 417 Ca -0.40 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1uiu h ALA 417 Cb 1.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1uiu h ALA 417 CO 0.65 0.09 -0.37 -0.44 0.00 0.00 0.00 179.25 179.18 1uiu h ASP 418 N 0.70 0.97 -0.81 0.00 3.32 -1.89 -0.05 116.42 118.65 1uiu h ASP 418 Ca 0.22 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1uiu h ASP 418 Cb -0.02 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1uiu h ASP 418 CO -0.08 1.23 0.47 0.15 -1.72 0.00 0.00 179.24 179.29 1uiu h PHE 419 N 0.75 1.09 -0.27 4.55 3.04 -1.48 -2.26 116.94 122.36 1uiu h PHE 419 Ca 0.07 -0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.84 1uiu h PHE 419 Cb 0.95 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 1uiu h PHE 419 CO 0.06 0.74 -0.45 1.96 -2.02 0.00 0.00 178.31 178.60 1uiu h GLN 420 N 1.12 0.78 0.00 1.11 1.08 -1.11 -2.97 115.11 115.12 1uiu h GLN 420 Ca 0.29 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1uiu h GLN 420 Cb -0.01 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1uiu h GLN 420 CO -0.05 1.11 0.00 0.00 -0.95 0.00 0.00 178.83 178.94 1uiu h ALA 421 N 0.66 1.00 -0.12 3.87 0.00 -0.88 -2.70 119.26 121.10 1uiu h ALA 421 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uiu h ALA 421 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1uiu h ALA 421 CO 0.10 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1uiu n GLN 422 N -2.78 2.22 0.29 0.00 6.02 -0.86 -0.50 117.38 121.78 1uiu n GLN 422 Ca 0.01 -1.79 0.18 0.00 -0.01 0.00 0.00 57.00 55.39 1uiu n GLN 422 Cb 0.27 -1.47 0.87 0.00 1.02 0.00 0.00 30.24 30.93 1uiu n GLN 422 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1uiu h GLN 423 N 4.07 0.00 -0.06 -1.09 1.08 -1.43 -2.05 115.11 115.64 1uiu h GLN 423 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1uiu h GLN 423 Cb 0.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 1uiu h GLN 423 CO 0.00 0.04 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 1uiu n GLY 424 N -0.54 -0.35 3.66 3.46 0.00 -1.24 -4.85 105.19 105.33 1uiu n GLY 424 Ca -0.01 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1uiu n GLY 424 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uiu s LEU 425 N -1.76 4.14 0.27 0.99 1.43 -0.77 -4.91 118.68 118.07 1uiu s LEU 425 Ca 0.36 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1uiu s LEU 425 Cb 0.18 -2.91 0.54 0.00 0.03 0.00 0.00 46.19 44.03 1uiu s LEU 425 CO 0.29 -0.28 1.80 0.00 0.23 0.00 0.00 176.35 178.39 1uiu h ALA 426 N 7.48 1.39 -0.41 4.21 0.00 -1.89 -1.82 119.26 128.23 1uiu h ALA 426 Ca -0.31 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1uiu h ALA 426 Cb 1.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1uiu h ALA 426 CO 0.78 0.07 0.06 -0.40 0.00 0.00 0.00 179.25 179.76 1uiu n ASP 427 N -4.74 3.97 -0.23 0.00 3.85 -1.26 -4.56 116.55 113.58 1uiu n ASP 427 Ca 0.18 -2.66 -0.03 0.00 -0.71 0.00 0.00 54.79 51.57 1uiu n ASP 427 Cb 0.39 -0.63 0.08 0.00 -1.35 0.00 0.00 41.12 39.60 1uiu n ASP 427 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 1uiu h LYS 428 N 2.30 0.72 -0.60 0.11 1.63 -1.61 -0.70 116.57 118.43 1uiu h LYS 428 Ca 0.06 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.72 1uiu h LYS 428 Cb 1.56 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 33.01 1uiu h LYS 428 CO 0.37 0.48 0.02 -1.35 -3.45 0.00 0.00 179.45 175.52 1uiu h PRO 429 N 0.74 1.03 -0.41 1.90 0.11 -1.84 -0.94 132.00 132.59 1uiu h PRO 429 Ca 0.27 -0.31 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1uiu h PRO 429 Cb 0.08 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1uiu h PRO 429 CO -0.13 0.99 0.26 1.25 -0.21 0.00 0.00 178.00 180.15 1uiu h LEU 430 N 0.94 0.48 -0.20 2.35 5.85 -1.81 -0.87 115.31 122.05 1uiu h LEU 430 Ca 0.17 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1uiu h LEU 430 Cb 0.52 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1uiu h LEU 430 CO 0.03 0.37 0.03 0.40 -0.34 0.00 0.00 178.44 178.93 1uiu h ILE 431 N 0.54 0.90 -0.95 4.05 2.04 -0.83 -1.31 117.51 121.95 1uiu h ILE 431 Ca 0.15 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1uiu h ILE 431 Cb -0.03 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1uiu h ILE 431 CO -0.03 0.02 0.63 0.44 0.00 0.00 0.00 178.15 179.21 1uiu h ASP 432 N 0.11 1.07 -0.43 1.72 5.19 -0.86 -0.43 116.42 122.78 1uiu h ASP 432 Ca 0.09 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1uiu h ASP 432 Cb 0.09 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 1uiu h ASP 432 CO -0.13 0.76 0.22 0.50 -3.12 0.00 0.00 179.24 177.46 1uiu h LYS 433 N 1.25 0.61 -0.11 3.56 3.64 -0.89 -1.52 116.57 123.11 1uiu h LYS 433 Ca 0.36 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1uiu h LYS 433 Cb -0.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1uiu h LYS 433 CO -0.09 0.51 -0.24 0.93 -2.27 0.00 0.00 179.45 178.29 1uiu h GLU 434 N 0.56 0.20 -0.11 1.90 5.08 -0.82 -0.63 114.58 120.75 1uiu h GLU 434 Ca 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1uiu h GLU 434 Cb 0.09 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1uiu h GLU 434 CO -0.02 0.44 -0.01 0.82 -1.00 0.00 0.00 179.01 179.23 1uiu h ILE 435 N 0.18 1.27 -0.42 3.13 2.04 -0.71 0.01 117.51 123.01 1uiu h ILE 435 Ca 0.03 -0.88 0.09 0.00 1.00 0.00 0.00 64.86 65.09 1uiu h ILE 435 Cb 0.53 1.64 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 1uiu h ILE 435 CO 0.04 0.25 -0.25 1.23 0.00 0.00 0.00 178.15 179.42 1uiu h GLY 436 N -0.09 -0.03 0.42 5.37 0.00 -0.88 -2.25 103.07 105.62 1uiu h GLY 436 Ca 0.03 0.32 0.10 0.00 0.00 0.00 0.00 47.33 47.78 1uiu h GLY 436 CO 0.01 -0.21 0.34 0.83 0.00 0.00 0.00 176.54 177.51 1uiu h GLU 437 N -0.18 0.56 -0.00 4.80 5.08 -0.94 -2.99 114.58 120.91 1uiu h GLU 437 Ca 0.20 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1uiu h GLU 437 Cb 0.49 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1uiu h GLU 437 CO -0.52 0.37 -0.39 -0.39 -1.00 0.00 0.00 179.01 177.08 1uiu h VAL 438 N 0.57 1.28 -0.16 3.13 -1.51 -0.39 -2.36 116.25 116.82 1uiu h VAL 438 Ca 0.36 -1.34 -0.15 0.00 -1.23 0.00 0.00 66.70 64.34 1uiu h VAL 438 Cb 0.41 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1uiu h VAL 438 CO -0.29 0.38 -0.53 -0.07 -1.23 0.00 0.00 177.57 175.83 1uiu h LEU 439 N 0.00 0.51 -0.11 4.19 4.07 -1.36 -2.97 115.31 119.64 1uiu h LEU 439 Ca -0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1uiu h LEU 439 Cb 0.69 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1uiu h LEU 439 CO 0.05 0.95 -0.19 0.00 -1.08 0.00 0.00 178.44 178.17 1uiu n ALA 440 N -2.50 2.86 -1.99 1.53 0.00 -1.15 -0.89 120.51 118.38 1uiu n ALA 440 Ca -0.03 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1uiu n ALA 440 Cb 0.59 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1uiu n ALA 440 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1uiu s THR 441 N -2.76 4.48 -0.07 0.00 -1.32 -0.90 -4.77 115.64 110.30 1uiu s THR 441 Ca 0.20 1.37 0.18 0.00 -1.21 0.00 0.00 61.69 62.23 1uiu s THR 441 Cb 0.19 -3.79 -0.27 0.00 -1.51 0.00 0.00 72.50 67.12 1uiu s THR 441 CO 0.55 0.01 0.31 1.41 -2.21 0.00 0.00 174.62 174.70 1uiu n HIS 442 N 0.20 0.00 -2.76 9.09 8.25 -1.26 -4.68 115.22 124.06 1uiu n HIS 442 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1uiu n HIS 442 Cb 0.52 -0.55 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 1uiu n HIS 442 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1uiu s ASP 443 N -4.42 7.38 0.12 0.41 -1.08 -1.26 -4.95 116.67 112.86 1uiu s ASP 443 Ca -0.07 1.67 -0.21 0.00 -0.52 0.00 0.00 52.55 53.41 1uiu s ASP 443 Cb 0.10 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.94 1uiu s ASP 443 CO 0.76 -0.15 1.71 -0.08 0.52 0.00 0.00 175.17 177.93 1uiu h GLU 444 N 6.21 -0.04 0.21 4.34 4.22 -1.99 -1.65 114.58 125.89 1uiu h GLU 444 Ca -0.42 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.01 1uiu h GLU 444 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1uiu h GLU 444 CO 0.73 -0.02 -0.10 1.15 -2.18 0.00 0.00 179.01 178.59 1uiu h THR 445 N -0.04 0.81 -0.75 0.32 2.02 -1.99 -0.46 112.91 112.83 1uiu h THR 445 Ca 0.06 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1uiu h THR 445 Cb 0.13 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1uiu h THR 445 CO -0.14 0.03 0.47 -0.61 0.37 0.00 0.00 175.52 175.64 1uiu h GLN 446 N -0.34 1.00 -0.16 6.66 5.75 -1.97 0.28 115.11 126.33 1uiu h GLN 446 Ca -0.03 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1uiu h GLN 446 Cb 0.26 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1uiu h GLN 446 CO 0.05 0.69 0.10 -0.09 -2.65 0.00 0.00 178.83 176.93 1uiu h ARG 447 N 1.03 0.22 -0.42 1.69 2.43 -0.99 -0.60 114.38 117.74 1uiu h ARG 447 Ca 0.27 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1uiu h ARG 447 Cb -0.08 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1uiu h ARG 447 CO -0.05 0.18 -0.12 0.37 -1.51 0.00 0.00 179.97 178.83 1uiu h GLN 448 N 0.20 0.83 -0.75 0.20 5.75 -0.38 -0.96 115.11 120.00 1uiu h GLN 448 Ca 0.06 -0.33 0.08 0.00 -0.15 0.00 0.00 58.65 58.31 1uiu h GLN 448 Cb 0.01 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 1uiu h GLN 448 CO -0.01 0.96 0.42 0.00 -2.65 0.00 0.00 178.83 177.54 1uiu h ALA 449 N 0.85 1.03 -0.12 3.38 0.00 -0.16 0.43 119.26 124.67 1uiu h ALA 449 Ca 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1uiu h ALA 449 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1uiu h ALA 449 CO 0.05 0.07 -0.24 -0.07 0.00 0.00 0.00 179.25 179.05 1uiu h LEU 450 N 0.73 0.43 -1.14 0.00 4.07 -0.77 -1.68 115.31 116.94 1uiu h LEU 450 Ca 0.35 -0.56 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 1uiu h LEU 450 Cb 0.28 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 1uiu h LEU 450 CO -0.22 0.91 0.50 1.88 -1.08 0.00 0.00 178.44 180.42 1uiu h TYR 451 N -0.03 1.05 -0.58 1.13 0.99 -0.98 0.17 116.97 118.72 1uiu h TYR 451 Ca 0.00 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1uiu h TYR 451 Cb 0.83 -0.35 -0.04 0.00 1.00 0.00 0.00 36.73 38.18 1uiu h TYR 451 CO 0.10 0.69 0.35 -0.09 -0.00 0.00 0.00 178.16 179.21 1uiu h ARG 452 N 1.11 0.67 -0.29 4.88 2.43 -0.75 0.48 114.38 122.91 1uiu h ARG 452 Ca 0.29 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1uiu h ARG 452 Cb -0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1uiu h ARG 452 CO -0.06 0.44 0.07 0.22 -1.51 0.00 0.00 179.97 179.13 1uiu h ASP 453 N 0.69 0.44 0.12 -3.80 3.58 -0.65 -0.45 116.42 116.36 1uiu h ASP 453 Ca 0.23 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1uiu h ASP 453 Cb 0.03 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1uiu h ASP 453 CO -0.10 0.56 -0.06 0.40 -2.88 0.00 0.00 179.24 177.16 1uiu h ILE 454 N 0.30 0.93 0.00 2.25 2.04 -0.84 -1.31 117.51 120.88 1uiu h ILE 454 Ca 0.09 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 1uiu h ILE 454 Cb 0.30 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1uiu h ILE 454 CO 0.00 0.05 -0.50 -0.07 0.00 0.00 0.00 178.15 177.63 1uiu h LEU 455 N -0.25 0.00 -0.58 1.44 3.38 -0.86 -1.84 115.31 116.60 1uiu h LEU 455 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1uiu h LEU 455 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1uiu h LEU 455 CO 0.03 0.50 -0.47 0.74 0.09 0.00 0.00 178.44 179.32 1uiu h THR 456 N 0.00 1.31 -0.14 0.22 2.02 -0.92 -0.89 112.91 114.51 1uiu h THR 456 Ca -0.00 -1.68 -0.18 0.00 0.77 0.00 0.00 66.41 65.31 1uiu h THR 456 Cb 0.95 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1uiu h THR 456 CO 0.06 0.53 -0.66 0.03 0.37 0.00 0.00 175.52 175.86 1uiu h ARG 457 N 0.46 0.55 0.00 6.66 3.08 -0.75 -0.98 114.38 123.40 1uiu h ARG 457 Ca 0.03 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 1uiu h ARG 457 Cb 1.00 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1uiu h ARG 457 CO 0.09 1.02 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.50 1uiu h LEU 458 N 0.40 0.00 0.22 3.04 3.38 -1.10 -1.40 115.31 119.85 1uiu h LEU 458 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1uiu h LEU 458 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1uiu h LEU 458 CO 0.12 0.44 -0.11 -0.74 0.09 0.00 0.00 178.44 178.25 1uiu h HIS 459 N 0.00 -0.28 -0.00 1.13 2.76 -1.02 -2.53 115.15 115.21 1uiu h HIS 459 Ca -0.00 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1uiu h HIS 459 Cb 0.97 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 1uiu h HIS 459 CO 0.00 0.10 -0.38 -0.44 -1.30 0.00 0.00 177.93 175.91 1uiu h ASP 460 N -0.77 0.00 -0.14 3.26 3.32 -1.10 0.57 116.42 121.56 1uiu h ASP 460 Ca -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1uiu h ASP 460 Cb 0.51 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1uiu h ASP 460 CO 0.05 0.38 0.00 -0.62 -1.72 0.00 0.00 179.24 177.33 1uiu n GLU 461 N -4.09 1.52 -3.75 3.56 1.02 -0.54 -4.95 120.64 113.42 1uiu n GLU 461 Ca -0.02 -0.79 -0.23 0.00 -0.02 0.00 0.00 57.16 56.10 1uiu n GLU 461 Cb 0.41 -1.33 0.02 0.00 -0.02 0.00 0.00 31.44 30.53 1uiu n GLU 461 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uiu n ALA 462 N 0.04 -2.05 0.07 0.62 0.00 0.19 -4.86 120.51 114.51 1uiu n ALA 462 Ca 0.14 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1uiu n ALA 462 Cb 0.24 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 1uiu n ALA 462 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uiu h VAL 463 N -1.85 1.41 -1.97 0.00 2.07 -1.68 -3.45 116.25 110.79 1uiu h VAL 463 Ca -0.62 -2.37 -0.62 0.00 0.82 0.00 0.00 66.70 63.92 1uiu h VAL 463 Cb 1.36 2.31 -0.13 0.00 -1.52 0.00 0.00 31.29 33.31 1uiu h VAL 463 CO 0.57 0.70 -0.69 -0.31 0.02 0.00 0.00 177.57 177.87 1uiu s TYR 464 N -3.39 2.40 -0.58 1.57 2.02 -1.26 -2.98 117.35 115.13 1uiu s TYR 464 Ca -0.05 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1uiu s TYR 464 Cb 0.10 -1.34 0.15 0.00 -0.40 0.00 0.00 41.96 40.47 1uiu s TYR 464 CO 0.85 0.60 0.35 -1.17 -1.57 0.00 0.00 175.55 174.61 1uiu s LEU 465 N -3.60 4.72 0.31 -1.29 2.96 -0.13 -4.94 118.68 116.71 1uiu s LEU 465 Ca 0.32 -3.01 -0.29 0.00 -0.22 0.00 0.00 54.13 50.93 1uiu s LEU 465 Cb 0.01 -1.73 -0.12 0.00 0.50 0.00 0.00 46.19 44.85 1uiu s LEU 465 CO 0.17 -0.27 1.48 -2.65 -1.32 0.00 0.00 176.35 173.75 1uiu n PRO 466 N 3.18 2.49 -0.01 0.98 -0.02 -1.26 -0.10 135.00 140.25 1uiu n PRO 466 Ca 0.07 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.39 1uiu n PRO 466 Cb 0.34 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 1uiu n PRO 466 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1uiu n ILE 467 N 1.35 1.30 -3.82 4.25 5.41 -0.10 -4.76 119.36 122.98 1uiu n ILE 467 Ca 0.06 0.27 -0.09 0.00 1.00 0.00 0.00 62.75 63.99 1uiu n ILE 467 Cb 0.36 -1.89 -0.07 0.00 -0.71 0.00 0.00 39.64 37.33 1uiu n ILE 467 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1uiu s SER 468 N -5.97 0.02 -0.22 4.38 1.04 -1.09 -1.21 113.70 110.65 1uiu s SER 468 Ca -0.12 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 1uiu s SER 468 Cb 0.02 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1uiu s SER 468 CO 0.18 -0.79 0.08 -0.31 0.98 0.00 0.00 173.24 173.38 1uiu s TYR 469 N -3.87 3.19 0.33 5.02 2.02 0.23 -0.43 117.35 123.84 1uiu s TYR 469 Ca 0.07 -0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.40 1uiu s TYR 469 Cb 0.04 -2.17 -0.10 0.00 -0.40 0.00 0.00 41.96 39.33 1uiu s TYR 469 CO -0.09 -0.05 1.37 0.96 -1.57 0.00 0.00 175.55 176.17 1uiu s ILE 470 N 0.95 2.55 -0.01 2.71 -4.36 0.35 -3.09 121.20 120.29 1uiu s ILE 470 Ca 0.04 0.54 0.04 0.00 -0.26 0.00 0.00 60.65 61.01 1uiu s ILE 470 Cb -0.14 -3.34 -0.03 0.00 1.25 0.00 0.00 42.46 40.20 1uiu s ILE 470 CO 0.03 0.12 -0.10 -0.44 0.24 0.00 0.00 174.94 174.79 1uiu s SER 471 N -0.24 4.35 0.30 4.36 0.01 -1.26 -0.43 113.70 120.79 1uiu s SER 471 Ca 0.52 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 1uiu s SER 471 Cb -0.42 -0.96 -0.11 0.00 0.21 0.00 0.00 66.02 64.74 1uiu s SER 471 CO 0.53 0.31 1.52 -0.32 0.41 0.00 0.00 173.24 175.69 1uiu s MET 472 N -1.16 4.16 -0.07 12.44 1.75 -1.26 -4.55 119.30 130.61 1uiu s MET 472 Ca 0.15 2.50 -0.01 0.00 -1.25 0.00 0.00 55.69 57.08 1uiu s MET 472 Cb -0.11 -3.03 -0.03 0.00 2.84 0.00 0.00 34.83 34.50 1uiu s MET 472 CO 0.04 -0.54 -0.01 -1.64 -0.65 0.00 0.00 175.02 172.22 1uiu s MET 473 N -0.89 2.92 -0.06 4.11 -1.94 0.60 -1.75 119.30 122.29 1uiu s MET 473 Ca 0.59 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 54.14 1uiu s MET 473 Cb -0.46 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 33.65 1uiu s MET 473 CO 0.50 0.69 -0.11 0.08 -0.01 0.00 0.00 175.02 176.17 1uiu s VAL 474 N -0.91 1.02 -0.12 -6.03 1.01 -0.83 -1.29 120.40 113.25 1uiu s VAL 474 Ca 0.14 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1uiu s VAL 474 Cb -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1uiu s VAL 474 CO 0.04 0.33 -0.23 -0.69 0.00 0.00 0.00 175.10 174.55 1uiu s VAL 475 N 0.68 2.10 -0.02 2.92 1.01 -0.42 -1.66 120.40 125.01 1uiu s VAL 475 Ca -0.14 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 1uiu s VAL 475 Cb -0.15 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1uiu s VAL 475 CO 0.03 0.55 0.18 -0.55 0.00 0.00 0.00 175.10 175.31 1uiu s SER 476 N 0.54 -0.06 0.18 3.32 0.15 -0.04 -0.08 113.70 117.71 1uiu s SER 476 Ca -0.14 -0.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.19 1uiu s SER 476 Cb -0.17 0.27 -0.10 0.00 -1.71 0.00 0.00 66.02 64.32 1uiu s SER 476 CO 0.04 -0.31 1.51 -0.54 1.20 0.00 0.00 173.24 175.14 1uiu s LYS 477 N -1.02 4.24 0.48 5.44 1.02 -0.67 -0.24 119.74 128.99 1uiu s LYS 477 Ca -0.11 2.31 0.20 0.00 0.02 0.00 0.00 55.97 58.39 1uiu s LYS 477 Cb -0.06 -3.15 1.22 0.00 -0.52 0.00 0.00 37.83 35.32 1uiu s LYS 477 CO 0.02 -0.53 1.96 -1.35 -0.92 0.00 0.00 175.35 174.52 1uiu h PRO 478 N 6.32 0.21 -0.45 -1.68 0.11 -1.91 -0.99 132.00 133.60 1uiu h PRO 478 Ca -0.43 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.79 1uiu h PRO 478 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1uiu h PRO 478 CO 0.87 0.14 0.42 1.05 -0.21 0.00 0.00 178.00 180.27 1uiu h GLU 479 N 0.21 0.00 0.00 1.05 9.09 -1.91 0.31 114.58 123.32 1uiu h GLU 479 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 1uiu h GLU 479 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 1uiu h GLU 479 CO -0.06 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.28 1uiu n LEU 480 N -3.89 0.63 0.00 3.06 7.99 -0.38 -4.42 117.00 119.98 1uiu n LEU 480 Ca 0.08 0.62 0.00 0.00 -0.01 0.00 0.00 56.01 56.70 1uiu n LEU 480 Cb 0.61 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 1uiu n LEU 480 CO 0.30 -0.41 0.00 0.61 -1.51 0.00 0.00 177.39 176.39 1uiu n GLY 481 N 0.43 -0.49 3.73 -0.72 0.00 0.11 -4.06 105.19 104.18 1uiu n GLY 481 Ca 0.03 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1uiu n GLY 481 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uiu s ASN 482 N -4.00 7.03 -0.26 1.61 3.84 -1.26 -4.93 114.94 116.96 1uiu s ASN 482 Ca 0.00 2.23 -0.06 0.00 0.21 0.00 0.00 52.86 55.24 1uiu s ASN 482 Cb 0.00 -2.60 -0.01 0.00 -0.55 0.00 0.00 41.25 38.09 1uiu s ASN 482 CO 0.00 -0.44 0.05 -0.63 -2.79 0.00 0.00 177.10 173.28 1uiu s ILE 483 N 0.29 3.93 0.98 -5.21 -1.09 -1.26 -4.75 121.20 114.08 1uiu s ILE 483 Ca 0.56 -0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 58.38 1uiu s ILE 483 Cb -0.33 -2.91 0.18 0.00 -1.58 0.00 0.00 42.46 37.81 1uiu s ILE 483 CO 0.35 0.25 1.10 -2.16 -1.23 0.00 0.00 174.94 173.25 1uiu s PRO 484 N 1.53 0.60 -0.09 2.79 0.04 -1.26 -5.06 135.00 133.56 1uiu s PRO 484 Ca 0.05 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.56 1uiu s PRO 484 Cb -0.16 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1uiu s PRO 484 CO 0.01 -2.60 -0.13 0.71 0.04 0.00 0.00 177.00 175.04 1uiu s TYR 485 N -3.04 2.78 0.16 0.56 1.51 -1.26 -4.73 117.35 113.33 1uiu s TYR 485 Ca 0.65 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 56.07 1uiu s TYR 485 Cb -0.18 -1.73 -0.08 0.00 -0.11 0.00 0.00 41.96 39.86 1uiu s TYR 485 CO 0.57 0.04 1.27 0.00 -1.11 0.00 0.00 175.55 176.31 1uiu s ALA 486 N -0.28 3.49 0.24 3.71 0.00 -1.26 -4.95 121.76 122.71 1uiu s ALA 486 Ca 0.02 1.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 1uiu s ALA 486 Cb -0.13 -3.46 0.41 0.00 0.00 0.00 0.00 23.12 19.94 1uiu s ALA 486 CO 0.03 -0.48 1.63 -1.35 0.00 0.00 0.00 175.76 175.59 1uiu h PRO 487 N 5.77 0.08 -6.27 0.00 0.11 -1.93 -3.38 132.00 126.39 1uiu h PRO 487 Ca -0.44 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.11 1uiu h PRO 487 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1uiu h PRO 487 CO 0.78 0.06 0.81 0.42 -0.21 0.00 0.00 178.00 179.85 1uiu s ILE 488 N -6.13 4.15 0.46 4.15 1.01 -1.26 -4.72 121.20 118.86 1uiu s ILE 488 Ca -0.14 1.46 0.17 0.00 0.00 0.00 0.00 60.65 62.14 1uiu s ILE 488 Cb 0.22 -3.94 0.35 0.00 0.01 0.00 0.00 42.46 39.10 1uiu s ILE 488 CO 0.75 -0.05 1.98 0.00 0.00 0.00 0.00 174.94 177.62 1uiu h ALA 489 N 7.85 2.16 -0.01 9.38 0.00 -1.64 -2.08 119.26 134.93 1uiu h ALA 489 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1uiu h ALA 489 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1uiu h ALA 489 CO 0.92 -0.30 -0.31 0.25 0.00 0.00 0.00 179.25 179.81 1uiu n THR 490 N -4.45 0.00 -2.71 0.00 -2.24 -1.26 -4.91 114.28 98.70 1uiu n THR 490 Ca 0.10 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 1uiu n THR 490 Cb 0.45 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1uiu n THR 490 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1uiu s GLU 491 N -2.42 3.73 -0.12 -0.78 2.02 -0.78 -3.77 118.70 116.58 1uiu s GLU 491 Ca 0.23 0.46 0.02 0.00 0.02 0.00 0.00 54.97 55.70 1uiu s GLU 491 Cb 0.19 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 32.08 1uiu s GLU 491 CO 0.51 -0.12 -0.16 0.42 0.02 0.00 0.00 175.26 175.93 1uiu s ILE 492 N -2.52 1.60 -1.43 -1.63 1.01 -1.26 -4.57 121.20 112.39 1uiu s ILE 492 Ca 0.51 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1uiu s ILE 492 Cb -0.10 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.93 1uiu s ILE 492 CO 0.36 0.46 2.67 -0.81 0.00 0.00 0.00 174.94 177.62 1uiu n PRO 493 N 4.22 4.14 -0.26 2.79 -0.04 -1.26 -4.65 135.00 139.95 1uiu n PRO 493 Ca -0.19 -2.85 0.18 0.00 -0.04 0.00 0.00 63.50 60.60 1uiu n PRO 493 Cb 0.51 -2.69 0.49 0.00 -0.04 0.00 0.00 33.50 31.77 1uiu n PRO 493 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1uiu h PHE 494 N 4.74 0.61 0.00 0.54 -1.00 -1.97 0.15 116.94 120.01 1uiu h PHE 494 Ca 0.77 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.57 1uiu h PHE 494 Cb 0.31 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1uiu h PHE 494 CO 1.74 0.16 0.00 -0.85 -1.61 0.00 0.00 178.31 177.74 1uiu n GLU 495 N -4.54 0.11 -0.10 1.51 0.00 -1.26 -2.52 120.64 113.83 1uiu n GLU 495 Ca 0.20 0.45 0.08 0.00 0.00 0.00 0.00 57.16 57.89 1uiu n GLU 495 Cb 0.69 -1.75 0.13 0.00 0.00 0.00 0.00 31.44 30.51 1uiu n GLU 495 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1uiu n GLN 496 N -1.96 1.92 -2.90 3.44 6.02 0.51 -4.55 117.38 119.85 1uiu n GLN 496 Ca 0.01 -1.83 -0.41 0.00 -0.01 0.00 0.00 57.00 54.76 1uiu n GLN 496 Cb 0.13 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 29.99 1uiu n GLN 496 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1uiu s ILE 497 N -1.25 4.96 -0.31 5.09 1.01 -1.05 -4.81 121.20 124.84 1uiu s ILE 497 Ca 0.26 1.69 -0.01 0.00 0.00 0.00 0.00 60.65 62.59 1uiu s ILE 497 Cb 0.16 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.57 1uiu s ILE 497 CO 0.22 0.19 0.10 -0.54 0.00 0.00 0.00 174.94 174.91 1uiu s LYS 498 N 1.05 0.66 0.00 2.79 1.02 -1.26 -4.18 119.74 119.82 1uiu s LYS 498 Ca 0.43 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1uiu s LYS 498 Cb -0.19 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1uiu s LYS 498 CO 0.21 -0.99 0.21 -2.30 -0.92 0.00 0.00 175.35 171.56