#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3a n TYR 11 N 0.00 0.65 0.04 0.00 0.18 -1.26 -3.92 117.16 112.84 1h3a n TYR 11 Ca 0.00 0.19 -0.11 0.00 1.88 0.00 0.00 57.90 59.86 1h3a n TYR 11 Cb 0.00 -0.77 -0.04 0.00 -0.38 0.00 0.00 39.34 38.15 1h3a n TYR 11 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1h3a h ALA 12 N 2.63 -0.20 -0.84 -3.48 0.00 -2.00 -1.02 119.26 114.35 1h3a h ALA 12 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1h3a h ALA 12 Cb 0.68 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1h3a h ALA 12 CO 0.00 -0.67 0.55 0.00 0.00 0.00 0.00 179.25 179.13 1h3a h ARG 13 N -0.29 0.60 -0.25 0.00 3.08 -2.00 -0.54 114.38 114.98 1h3a h ARG 13 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1h3a h ARG 13 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1h3a h ARG 13 CO -0.20 0.40 0.11 1.15 -1.07 0.00 0.00 179.97 180.36 1h3a h THR 14 N 0.62 1.16 0.49 2.04 2.02 -1.41 -2.16 112.91 115.66 1h3a h THR 14 Ca 0.41 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1h3a h THR 14 Cb 0.72 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1h3a h THR 14 CO -0.17 0.16 -0.23 -0.07 0.37 0.00 0.00 175.52 175.57 1h3a h LEU 15 N 0.27 -0.55 -1.38 2.58 3.38 -0.26 -0.28 115.31 119.06 1h3a h LEU 15 Ca 0.09 -0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.25 1h3a h LEU 15 Cb 0.14 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 1h3a h LEU 15 CO -0.01 -0.28 0.65 0.44 0.09 0.00 0.00 178.44 179.33 1h3a h ASP 16 N -0.82 0.45 0.06 -0.43 3.32 -1.16 0.67 116.42 118.51 1h3a h ASP 16 Ca -0.07 0.07 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1h3a h ASP 16 Cb 0.57 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.15 1h3a h ASP 16 CO 0.11 0.11 -1.14 0.03 -1.72 0.00 0.00 179.24 176.64 1h3a h ARG 17 N 0.42 0.67 -0.14 3.56 3.08 -1.22 -2.78 114.38 117.95 1h3a h ARG 17 Ca 0.57 -0.80 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 1h3a h ARG 17 Cb 1.41 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 1h3a h ARG 17 CO -0.27 1.36 -0.39 0.00 -1.07 0.00 0.00 179.97 179.59 1h3a h ALA 18 N 0.34 1.07 0.41 0.04 0.00 0.97 -2.76 119.26 119.34 1h3a h ALA 18 Ca -0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1h3a h ALA 18 Cb 1.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1h3a h ALA 18 CO 0.22 0.59 -0.20 0.28 0.00 0.00 0.00 179.25 180.15 1h3a h VAL 19 N 0.27 0.43 -0.03 0.00 2.07 0.18 -2.65 116.25 116.52 1h3a h VAL 19 Ca 0.03 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1h3a h VAL 19 Cb 0.81 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1h3a h VAL 19 CO 0.06 0.08 0.13 1.05 0.02 0.00 0.00 177.57 178.92 1h3a h GLU 20 N -0.96 0.00 0.08 1.57 4.11 -1.53 -2.23 114.58 115.63 1h3a h GLU 20 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 1h3a h GLU 20 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1h3a h GLU 20 CO 0.09 0.00 -0.04 -0.92 0.07 0.00 0.00 179.01 178.21 1h3a h TYR 21 N 0.00 -0.10 -0.94 2.06 3.20 -1.37 -3.00 116.97 116.82 1h3a h TYR 21 Ca 0.01 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1h3a h TYR 21 Cb 0.28 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 1h3a h TYR 21 CO 0.00 0.43 0.60 -0.07 -1.64 0.00 0.00 178.16 177.48 1h3a h LEU 22 N -0.90 0.88 -1.86 2.82 3.38 -1.06 0.41 115.31 118.99 1h3a h LEU 22 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1h3a h LEU 22 Cb 0.58 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1h3a h LEU 22 CO 0.02 0.53 -0.09 -0.07 0.09 0.00 0.00 178.44 178.91 1h3a h LEU 23 N 0.98 0.00 0.00 1.67 3.38 -1.50 -2.34 115.31 117.50 1h3a h LEU 23 Ca 0.43 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.24 1h3a h LEU 23 Cb 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1h3a h LEU 23 CO -0.19 0.09 -1.07 0.77 0.09 0.00 0.00 178.44 178.13 1h3a h SER 24 N 0.00 0.00 1.64 -0.43 4.64 -0.79 -3.27 113.55 115.34 1h3a h SER 24 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h3a h SER 24 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1h3a h SER 24 CO 0.01 0.62 -0.02 0.00 -0.87 0.00 0.00 176.83 176.57 1h3a s GLN 26 N -3.14 4.26 0.95 0.00 0.74 -1.02 -4.79 119.66 116.67 1h3a s GLN 26 Ca 0.09 2.30 -0.14 0.00 0.05 0.00 0.00 55.36 57.66 1h3a s GLN 26 Cb 0.10 -3.11 0.16 0.00 1.10 0.00 0.00 33.01 31.26 1h3a s GLN 26 CO 0.63 -0.43 1.19 0.15 -0.55 0.00 0.00 175.29 176.27 1h3a s LYS 27 N -0.25 0.83 0.11 1.67 3.01 -0.33 -4.93 119.74 119.84 1h3a s LYS 27 Ca 0.60 0.04 -0.20 0.00 -1.01 0.00 0.00 55.97 55.40 1h3a s LYS 27 Cb -0.42 -1.83 -0.08 0.00 -1.01 0.00 0.00 37.83 34.49 1h3a s LYS 27 CO 0.42 -2.36 1.75 -0.44 0.51 0.00 0.00 175.35 175.24 1h3a h ASP 28 N -1.61 0.19 -0.12 2.83 5.19 -1.95 -1.95 116.42 119.01 1h3a h ASP 28 Ca -0.47 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 55.95 1h3a h ASP 28 Cb 1.30 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 1h3a h ASP 28 CO 0.53 0.16 0.40 -0.33 -3.12 0.00 0.00 179.24 176.88 1h3a h GLU 29 N 0.21 0.00 0.00 3.56 3.07 -1.97 -3.44 114.58 116.01 1h3a h GLU 29 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1h3a h GLU 29 Cb -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1h3a h GLU 29 CO -0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.01 1h3a n GLY 30 N -1.31 1.35 3.47 -3.84 0.00 -0.73 -4.73 105.19 99.39 1h3a n GLY 30 Ca 0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1h3a n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h3a s TYR 31 N -2.00 2.06 -0.03 1.61 -0.85 -1.26 -2.93 117.35 113.96 1h3a s TYR 31 Ca 0.00 -0.75 0.05 0.00 -0.52 0.00 0.00 57.07 55.85 1h3a s TYR 31 Cb 0.00 -1.27 -0.03 0.00 0.38 0.00 0.00 41.96 41.04 1h3a s TYR 31 CO 0.00 0.25 -0.17 -1.58 -1.52 0.00 0.00 175.55 172.53 1h3a s TRP 32 N -3.02 2.62 -0.30 -3.49 0.51 -1.26 -1.19 118.94 112.81 1h3a s TRP 32 Ca 0.32 -0.22 0.04 0.00 -2.12 0.00 0.00 56.10 54.13 1h3a s TRP 32 Cb 0.06 -1.58 0.18 0.00 -0.81 0.00 0.00 33.47 31.32 1h3a s TRP 32 CO 0.14 0.17 0.51 -0.46 -0.51 0.00 0.00 176.95 176.79 1h3a s TRP 33 N -0.76 -1.43 -0.01 -1.98 -0.00 -1.26 -3.41 118.94 110.10 1h3a s TRP 33 Ca 0.12 0.62 -0.03 0.00 -0.00 0.00 0.00 56.10 56.81 1h3a s TRP 33 Cb -0.10 0.08 -0.04 0.00 -0.00 0.00 0.00 33.47 33.41 1h3a s TRP 33 CO 0.01 -1.05 0.20 0.20 -0.00 0.00 0.00 176.95 176.31 1h3a s GLY 34 N 2.59 2.19 0.70 5.86 0.00 -1.26 -5.01 107.32 112.39 1h3a s GLY 34 Ca 0.10 -0.74 -0.16 0.00 0.00 0.00 0.00 44.72 43.93 1h3a s GLY 34 CO -0.26 -0.61 0.65 -1.05 0.00 0.00 0.00 173.10 171.83 1h3a n PRO 35 N 0.96 0.39 -3.95 2.90 -0.02 -1.26 -4.59 135.00 129.43 1h3a n PRO 35 Ca -0.11 0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 1h3a n PRO 35 Cb 0.53 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1h3a n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h3a s LEU 36 N -0.88 3.18 0.21 2.45 2.96 -1.26 -3.21 118.68 122.12 1h3a s LEU 36 Ca 0.68 -0.84 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1h3a s LEU 36 Cb -0.36 -1.67 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 1h3a s LEU 36 CO 0.55 -0.12 0.50 -0.76 -1.32 0.00 0.00 176.35 175.20 1h3a s LEU 37 N 1.34 4.19 0.00 -0.68 2.01 -0.89 -4.43 118.68 120.22 1h3a s LEU 37 Ca 0.01 0.82 0.00 0.00 0.01 0.00 0.00 54.13 54.97 1h3a s LEU 37 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.46 1h3a s LEU 37 CO -0.04 -0.05 0.00 -1.54 1.01 0.00 0.00 176.35 175.73 1h3a n SER 38 N -0.12 0.00 -3.85 2.29 3.41 -1.26 -0.75 113.62 113.33 1h3a n SER 38 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1h3a n SER 38 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 1h3a n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h3a s ASN 39 N 1.36 0.33 0.00 4.04 2.20 -1.26 -4.73 114.94 116.88 1h3a s ASN 39 Ca 0.00 -1.26 0.13 0.00 -0.94 0.00 0.00 52.86 50.79 1h3a s ASN 39 Cb 0.00 0.54 0.59 0.00 -2.00 0.00 0.00 41.25 40.37 1h3a s ASN 39 CO 0.00 -1.08 1.41 1.33 -2.94 0.00 0.00 177.10 175.82 1h3a n VAL 40 N -0.40 1.01 0.27 3.54 0.24 -1.26 -3.06 118.33 118.67 1h3a n VAL 40 Ca 0.01 0.25 0.11 0.00 -2.04 0.00 0.00 64.34 62.67 1h3a n VAL 40 Cb 0.63 -1.03 0.74 0.00 -1.47 0.00 0.00 33.84 32.72 1h3a n VAL 40 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1h3a h THR 41 N 0.00 0.81 0.89 3.34 1.35 -1.97 0.10 112.91 117.44 1h3a h THR 41 Ca 0.00 -0.05 -0.04 0.00 -0.55 0.00 0.00 66.41 65.77 1h3a h THR 41 Cb 0.21 1.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1h3a h THR 41 CO 0.00 0.01 -0.43 0.24 -0.25 0.00 0.00 175.52 175.10 1h3a h MET 42 N 0.00 -1.15 -0.72 4.72 2.86 -1.88 -0.74 114.93 118.02 1h3a h MET 42 Ca -0.00 0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1h3a h MET 42 Cb 0.03 0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1h3a h MET 42 CO 0.00 -0.77 0.30 0.93 1.06 0.00 0.00 176.91 178.44 1h3a h GLU 43 N -1.31 1.07 -0.18 1.72 3.07 -1.70 -1.30 114.58 115.96 1h3a h GLU 43 Ca -0.12 -0.19 0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1h3a h GLU 43 Cb 0.92 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.61 1h3a h GLU 43 CO 0.20 0.87 -0.06 0.00 -1.40 0.00 0.00 179.01 178.62 1h3a h ALA 44 N 1.14 0.10 -0.11 3.43 0.00 -0.78 -0.82 119.26 122.22 1h3a h ALA 44 Ca 0.24 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1h3a h ALA 44 Cb 0.19 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1h3a h ALA 44 CO -0.02 -0.49 -0.31 0.93 0.00 0.00 0.00 179.25 179.35 1h3a h GLU 45 N -0.02 0.21 -0.65 0.00 5.08 -0.97 -2.75 114.58 115.47 1h3a h GLU 45 Ca 0.09 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1h3a h GLU 45 Cb 0.16 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1h3a h GLU 45 CO -0.19 0.51 0.28 -0.92 -1.00 0.00 0.00 179.01 177.68 1h3a h TYR 46 N 0.19 0.97 -0.38 4.33 5.03 -0.44 0.11 116.97 126.77 1h3a h TYR 46 Ca 0.03 -0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.30 1h3a h TYR 46 Cb 0.65 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 1h3a h TYR 46 CO 0.01 0.75 0.20 0.28 -1.32 0.00 0.00 178.16 178.08 1h3a h VAL 47 N 0.91 0.99 -0.41 1.81 2.07 -0.89 -1.34 116.25 119.38 1h3a h VAL 47 Ca 0.22 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1h3a h VAL 47 Cb 0.18 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1h3a h VAL 47 CO -0.02 0.07 -0.05 -0.07 0.02 0.00 0.00 177.57 177.53 1h3a h LEU 48 N 0.40 0.65 -0.44 2.57 3.38 -1.29 -2.60 115.31 117.98 1h3a h LEU 48 Ca 0.16 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1h3a h LEU 48 Cb 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1h3a h LEU 48 CO -0.11 0.75 0.24 0.25 0.09 0.00 0.00 178.44 179.67 1h3a h LEU 49 N 0.63 0.38 -1.00 1.67 5.85 0.09 0.45 115.31 123.39 1h3a h LEU 49 Ca 0.12 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1h3a h LEU 49 Cb 0.46 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1h3a h LEU 49 CO 0.02 0.27 0.55 0.00 -0.34 0.00 0.00 178.44 178.95 1h3a h HIS 51 N 1.27 0.37 -0.45 0.00 -0.00 -0.97 0.42 115.15 115.79 1h3a h HIS 51 Ca 0.33 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.70 1h3a h HIS 51 Cb -0.06 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 1h3a h HIS 51 CO 0.01 0.33 0.28 0.82 -0.00 0.00 0.00 177.93 179.37 1h3a h ILE 52 N 0.30 1.07 -0.09 6.26 1.08 -0.29 -1.42 117.51 124.43 1h3a h ILE 52 Ca 0.09 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1h3a h ILE 52 Cb 0.09 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1h3a h ILE 52 CO -0.01 0.10 0.00 0.18 -0.69 0.00 0.00 178.15 177.73 1h3a n LEU 53 N -4.81 0.76 -3.96 1.44 4.77 0.16 -4.91 117.00 110.44 1h3a n LEU 53 Ca 0.02 -0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 1h3a n LEU 53 Cb 0.05 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1h3a n LEU 53 CO 0.33 0.16 -0.01 -0.67 -1.33 0.00 0.00 177.39 175.88 1h3a n ASP 54 N -0.26 -3.16 -3.27 -1.43 2.03 0.94 -4.92 116.55 106.48 1h3a n ASP 54 Ca 0.13 -0.88 -0.25 0.00 0.52 0.00 0.00 54.79 54.31 1h3a n ASP 54 Cb 0.17 -3.50 -0.07 0.00 -0.72 0.00 0.00 41.12 37.00 1h3a n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1h3a n ARG 55 N -4.51 1.34 -3.65 -0.67 1.74 0.11 -5.01 116.66 106.01 1h3a n ARG 55 Ca -0.06 -3.73 -0.37 0.00 -0.77 0.00 0.00 57.85 52.92 1h3a n ARG 55 Cb 0.57 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 1h3a n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h3a s VAL 56 N -1.62 5.27 -0.29 1.55 1.01 -1.26 -4.73 120.40 120.33 1h3a s VAL 56 Ca 0.37 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.92 1h3a s VAL 56 Cb 0.16 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1h3a s VAL 56 CO -0.08 0.55 -0.04 -0.62 0.00 0.00 0.00 175.10 174.92 1h3a s ASP 57 N -0.72 4.51 0.24 3.32 2.15 -1.26 -5.01 116.67 119.89 1h3a s ASP 57 Ca 0.19 -1.68 -0.09 0.00 0.43 0.00 0.00 52.55 51.40 1h3a s ASP 57 Cb -0.14 -1.53 0.38 0.00 -0.30 0.00 0.00 42.92 41.33 1h3a s ASP 57 CO 0.08 -0.27 1.63 0.03 -0.17 0.00 0.00 175.17 176.46 1h3a h ARG 58 N 7.73 0.06 -0.75 4.34 2.47 -1.99 0.12 114.38 126.37 1h3a h ARG 58 Ca -0.13 -0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.67 1h3a h ARG 58 Cb 1.03 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 29.27 1h3a h ARG 58 CO 0.48 0.04 0.42 0.22 0.56 0.00 0.00 179.97 181.69 1h3a h ASP 59 N 0.06 0.59 -0.28 7.04 1.82 -2.01 -1.99 116.42 121.66 1h3a h ASP 59 Ca 0.39 0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.97 1h3a h ASP 59 Cb 0.65 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1h3a h ASP 59 CO -0.69 0.35 -0.22 -0.09 -1.61 0.00 0.00 179.24 176.98 1h3a h ARG 60 N 0.72 0.64 -0.75 0.28 9.65 -1.32 -3.14 114.38 120.46 1h3a h ARG 60 Ca 0.36 -0.32 0.14 0.00 -1.10 0.00 0.00 59.98 59.06 1h3a h ARG 60 Cb 0.31 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.80 1h3a h ARG 60 CO -0.23 0.91 0.29 0.52 2.80 0.00 0.00 179.97 184.27 1h3a h MET 61 N 0.37 0.43 -0.26 0.20 2.86 -0.25 -0.96 114.93 117.32 1h3a h MET 61 Ca 0.05 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1h3a h MET 61 Cb 0.77 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1h3a h MET 61 CO 0.06 0.28 0.03 0.93 1.06 0.00 0.00 176.91 179.27 1h3a h GLU 62 N 0.44 0.12 -0.09 1.72 4.39 -1.34 0.24 114.58 120.07 1h3a h GLU 62 Ca 0.41 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1h3a h GLU 62 Cb 0.61 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1h3a h GLU 62 CO -0.40 0.08 0.06 0.87 -1.16 0.00 0.00 179.01 178.46 1h3a h LYS 63 N 0.12 0.11 0.04 2.33 1.57 -1.19 -0.99 116.57 118.56 1h3a h LYS 63 Ca 0.12 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.68 1h3a h LYS 63 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1h3a h LYS 63 CO -0.18 0.07 -1.00 0.82 -0.57 0.00 0.00 179.45 178.59 1h3a h ILE 64 N 0.11 1.56 -0.13 1.86 2.04 -0.08 -1.14 117.51 121.74 1h3a h ILE 64 Ca 0.03 -2.96 -0.03 0.00 1.00 0.00 0.00 64.86 62.89 1h3a h ILE 64 Cb -0.01 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1h3a h ILE 64 CO -0.01 0.86 -0.05 -0.09 0.00 0.00 0.00 178.15 178.86 1h3a h ARG 65 N 0.06 0.26 -0.48 2.37 2.43 0.64 -1.39 114.38 118.27 1h3a h ARG 65 Ca -0.06 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1h3a h ARG 65 Cb 1.70 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 31.18 1h3a h ARG 65 CO 0.15 0.58 0.16 0.00 -1.51 0.00 0.00 179.97 179.35 1h3a h ARG 66 N -0.08 0.31 0.47 0.20 3.08 -1.32 -1.82 114.38 115.23 1h3a h ARG 66 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1h3a h ARG 66 Cb 0.50 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1h3a h ARG 66 CO 0.02 0.21 -0.38 -0.92 -1.07 0.00 0.00 179.97 177.83 1h3a h TYR 67 N 0.32 -1.01 -0.24 3.04 3.20 -1.42 -0.24 116.97 120.62 1h3a h TYR 67 Ca 0.23 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.16 1h3a h TYR 67 Cb 0.26 0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.83 1h3a h TYR 67 CO -0.17 -0.54 -0.36 -0.07 -1.64 0.00 0.00 178.16 175.38 1h3a h LEU 68 N -0.84 -1.14 -0.60 2.82 3.38 -0.93 -0.52 115.31 117.48 1h3a h LEU 68 Ca -0.05 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1h3a h LEU 68 Cb 0.72 0.49 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1h3a h LEU 68 CO -0.01 -0.36 0.34 -0.07 0.09 0.00 0.00 178.44 178.43 1h3a h LEU 69 N -0.37 0.53 -0.52 1.67 -0.00 -1.29 -2.48 115.31 112.86 1h3a h LEU 69 Ca 0.12 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.09 1h3a h LEU 69 Cb 0.57 -0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 41.07 1h3a h LEU 69 CO -0.44 0.36 0.17 -0.74 -0.00 0.00 0.00 178.44 177.80 1h3a h HIS 70 N 0.66 0.30 0.00 1.13 2.76 -0.11 -0.46 115.15 119.43 1h3a h HIS 70 Ca 0.25 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1h3a h HIS 70 Cb 0.09 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1h3a h HIS 70 CO -0.07 0.08 0.00 0.39 -1.30 0.00 0.00 177.93 177.03 1h3a n GLU 71 N -5.02 0.27 -2.75 5.26 -0.58 -0.29 -4.76 120.64 112.77 1h3a n GLU 71 Ca 0.06 0.10 -0.41 0.00 -0.42 0.00 0.00 57.16 56.48 1h3a n GLU 71 Cb 0.22 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.55 1h3a n GLU 71 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1h3a s GLN 72 N -2.59 4.64 0.75 3.49 0.74 -0.18 -4.78 119.66 121.72 1h3a s GLN 72 Ca 0.19 1.40 -0.05 0.00 0.05 0.00 0.00 55.36 56.95 1h3a s GLN 72 Cb 0.14 -3.40 0.16 0.00 1.10 0.00 0.00 33.01 31.00 1h3a s GLN 72 CO 0.31 0.14 1.02 0.54 -0.55 0.00 0.00 175.29 176.76 1h3a n ARG 73 N 3.13 -0.45 -0.06 1.67 3.00 -0.91 -4.90 116.66 118.14 1h3a n ARG 73 Ca 0.03 -2.29 -0.10 0.00 -0.01 0.00 0.00 57.85 55.48 1h3a n ARG 73 Cb 0.50 -0.84 -0.07 0.00 0.00 0.00 0.00 32.46 32.05 1h3a n ARG 73 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1h3a h GLU 74 N 0.00 -0.33 0.00 5.56 4.39 -1.97 0.20 114.58 122.43 1h3a h GLU 74 Ca -0.34 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1h3a h GLU 74 Cb 1.11 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1h3a h GLU 74 CO 0.31 -0.22 0.15 -0.40 -1.16 0.00 0.00 179.01 177.69 1h3a n ASP 75 N -4.63 0.21 -0.28 1.42 5.68 -1.26 -4.79 116.55 112.90 1h3a n ASP 75 Ca -0.03 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 1h3a n ASP 75 Cb 0.26 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1h3a n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3a n GLY 76 N -1.33 0.81 2.65 6.12 0.00 0.71 -4.38 105.19 109.76 1h3a n GLY 76 Ca -0.01 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 1h3a n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h3a n THR 77 N -2.78 0.00 -4.01 2.61 -2.24 -1.26 -3.41 114.28 103.19 1h3a n THR 77 Ca 0.00 -1.82 -0.17 0.00 -2.27 0.00 0.00 64.05 59.79 1h3a n THR 77 Cb 0.45 0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 69.04 1h3a n THR 77 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1h3a s TRP 78 N -2.56 0.39 0.32 4.78 0.51 -1.26 -2.14 118.94 118.98 1h3a s TRP 78 Ca 0.08 -0.05 0.08 0.00 -2.12 0.00 0.00 56.10 54.09 1h3a s TRP 78 Cb 0.00 -0.40 -0.04 0.00 -0.81 0.00 0.00 33.47 32.22 1h3a s TRP 78 CO 0.06 -0.11 0.18 0.00 -0.51 0.00 0.00 176.95 176.57 1h3a s ALA 79 N 0.72 3.57 0.30 0.98 0.00 -1.26 -1.05 121.76 125.02 1h3a s ALA 79 Ca -0.08 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.22 1h3a s ALA 79 Cb -0.11 -0.93 0.46 0.00 0.00 0.00 0.00 23.12 22.55 1h3a s ALA 79 CO -0.01 0.08 1.73 -0.07 0.00 0.00 0.00 175.76 177.49 1h3a h LEU 80 N 1.49 0.38 -8.29 0.00 3.38 -1.91 -3.45 115.31 106.91 1h3a h LEU 80 Ca -0.45 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.19 1h3a h LEU 80 Cb 1.25 -0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.73 1h3a h LEU 80 CO 0.61 0.66 -0.70 -0.72 0.09 0.00 0.00 178.44 178.39 1h3a s TYR 81 N -4.40 0.69 0.23 1.13 1.13 -1.26 -4.52 117.35 110.35 1h3a s TYR 81 Ca -0.06 -0.82 -0.31 0.00 -1.41 0.00 0.00 57.07 54.47 1h3a s TYR 81 Cb 0.14 -0.43 -0.11 0.00 -1.10 0.00 0.00 41.96 40.46 1h3a s TYR 81 CO 0.78 -0.19 1.63 -1.25 -2.51 0.00 0.00 175.55 174.00 1h3a s PRO 82 N -3.13 4.15 -0.29 -3.49 0.04 -1.26 -1.65 135.00 129.37 1h3a s PRO 82 Ca 0.03 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1h3a s PRO 82 Cb 0.01 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1h3a s PRO 82 CO -0.04 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1h3a n GLY 83 N 3.19 0.60 3.98 0.56 0.00 -1.26 -4.83 105.19 107.43 1h3a n GLY 83 Ca 0.12 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1h3a n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3a s GLY 84 N -2.65 1.87 0.64 -0.02 0.00 -0.66 -5.09 107.32 101.41 1h3a s GLY 84 Ca 0.00 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 42.91 1h3a s GLY 84 CO 0.00 -1.49 1.18 2.56 0.00 0.00 0.00 173.10 175.36 1h3a s PRO 85 N -4.26 2.73 0.02 2.90 0.04 -1.26 -4.75 135.00 130.42 1h3a s PRO 85 Ca 0.51 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1h3a s PRO 85 Cb -0.09 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1h3a s PRO 85 CO 0.32 -1.37 1.79 -1.25 0.04 0.00 0.00 177.00 176.52 1h3a s PRO 86 N -3.63 4.17 -0.16 0.56 0.04 -1.26 -4.42 135.00 130.29 1h3a s PRO 86 Ca 0.74 2.42 -0.18 0.00 0.04 0.00 0.00 61.00 64.02 1h3a s PRO 86 Cb -0.28 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 1h3a s PRO 86 CO 0.38 -0.86 0.48 0.34 0.04 0.00 0.00 177.00 177.37 1h3a s ASP 87 N 3.50 6.60 0.04 6.66 -1.08 -0.21 -4.97 116.67 127.21 1h3a s ASP 87 Ca 0.80 0.71 -0.30 0.00 -0.52 0.00 0.00 52.55 53.24 1h3a s ASP 87 Cb -0.39 -2.28 -0.16 0.00 -1.46 0.00 0.00 42.92 38.62 1h3a s ASP 87 CO 0.35 -0.07 1.41 0.25 0.52 0.00 0.00 175.17 177.63 1h3a h LEU 88 N 7.30 -0.91 -0.32 -1.34 5.85 -1.94 -2.09 115.31 121.86 1h3a h LEU 88 Ca -0.38 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1h3a h LEU 88 Cb 1.17 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 1h3a h LEU 88 CO 0.74 -0.64 -0.54 0.44 -0.34 0.00 0.00 178.44 178.11 1h3a h ASP 89 N -1.11 -1.78 -0.93 1.25 3.32 -1.94 0.27 116.42 115.50 1h3a h ASP 89 Ca -0.11 0.23 0.21 0.00 0.02 0.00 0.00 57.03 57.37 1h3a h ASP 89 Cb 0.82 0.72 -0.12 0.00 0.22 0.00 0.00 39.33 40.98 1h3a h ASP 89 CO 0.18 -0.41 0.48 0.74 -1.72 0.00 0.00 179.24 178.51 1h3a h THR 90 N -0.44 0.57 -0.18 0.35 2.02 -1.87 -1.22 112.91 112.15 1h3a h THR 90 Ca 0.06 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1h3a h THR 90 Cb 0.60 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1h3a h THR 90 CO -0.54 0.10 -0.28 0.74 0.37 0.00 0.00 175.52 175.92 1h3a h THR 91 N 0.54 1.34 0.24 3.16 2.02 -0.41 -2.32 112.91 117.48 1h3a h THR 91 Ca 0.56 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1h3a h THR 91 Cb 0.99 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 1h3a h THR 91 CO -0.46 0.45 -0.26 0.40 0.37 0.00 0.00 175.52 176.02 1h3a h ILE 92 N 0.16 0.43 -0.94 3.11 2.04 0.57 0.30 117.51 123.19 1h3a h ILE 92 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1h3a h ILE 92 Cb 0.85 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1h3a h ILE 92 CO 0.06 0.00 0.62 -0.33 0.00 0.00 0.00 178.15 178.50 1h3a h GLU 93 N -0.55 1.16 -0.33 2.37 5.08 -1.36 -0.64 114.58 120.31 1h3a h GLU 93 Ca -0.00 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1h3a h GLU 93 Cb 0.52 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1h3a h GLU 93 CO -0.07 0.77 -0.20 0.00 -1.00 0.00 0.00 179.01 178.51 1h3a h ALA 94 N 1.45 1.05 0.03 3.43 0.00 -0.95 -1.63 119.26 122.63 1h3a h ALA 94 Ca 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h3a h ALA 94 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1h3a h ALA 94 CO -0.11 0.58 -0.01 -0.92 0.00 0.00 0.00 179.25 178.79 1h3a h TYR 95 N 0.55 -0.04 -0.76 0.00 3.20 0.69 -2.09 116.97 118.53 1h3a h TYR 95 Ca 0.09 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1h3a h TYR 95 Cb 0.64 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1h3a h TYR 95 CO 0.03 0.24 0.49 0.28 -1.64 0.00 0.00 178.16 177.56 1h3a h VAL 96 N -0.31 1.15 0.11 1.81 2.07 -1.07 -2.01 116.25 118.00 1h3a h VAL 96 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1h3a h VAL 96 Cb 0.29 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1h3a h VAL 96 CO 0.01 0.18 -0.11 0.00 0.02 0.00 0.00 177.57 177.66 1h3a h ALA 97 N 1.30 -0.21 0.34 1.67 0.00 -1.22 -2.13 119.26 119.01 1h3a h ALA 97 Ca 0.29 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1h3a h ALA 97 Cb -0.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h3a h ALA 97 CO -0.09 -0.64 -0.32 -0.07 0.00 0.00 0.00 179.25 178.13 1h3a h LEU 98 N -0.24 -0.86 -2.03 0.00 3.38 -1.13 -1.02 115.31 113.41 1h3a h LEU 98 Ca 0.00 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.18 1h3a h LEU 98 Cb 0.23 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1h3a h LEU 98 CO -0.03 -0.46 0.38 0.50 0.09 0.00 0.00 178.44 178.92 1h3a h LYS 99 N -0.68 0.00 0.09 1.13 3.64 -1.33 0.92 116.57 120.34 1h3a h LYS 99 Ca -0.02 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1h3a h LYS 99 Cb 0.61 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1h3a h LYS 99 CO -0.05 0.00 -1.14 -0.92 -2.27 0.00 0.00 179.45 175.07 1h3a h TYR 100 N 0.00 0.60 -0.04 1.91 5.03 -0.70 -3.24 116.97 120.53 1h3a h TYR 100 Ca 0.22 -0.39 -0.08 0.00 2.58 0.00 0.00 58.73 61.06 1h3a h TYR 100 Cb 0.97 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1h3a h TYR 100 CO 0.00 1.26 -0.36 0.82 -1.32 0.00 0.00 178.16 178.55 1h3a h ILE 101 N 0.15 1.27 0.00 1.81 2.04 0.45 -3.46 117.51 119.77 1h3a h ILE 101 Ca -0.12 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1h3a h ILE 101 Cb 1.82 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1h3a h ILE 101 CO 0.19 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.33 1h3a n GLY 102 N -0.42 0.54 3.51 5.37 0.00 -0.68 -5.05 105.19 108.46 1h3a n GLY 102 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1h3a n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h3a n MET 103 N 0.00 0.78 -4.50 1.61 2.81 -0.94 -4.94 117.12 111.94 1h3a n MET 103 Ca 0.00 0.29 -0.33 0.00 -1.81 0.00 0.00 57.70 55.85 1h3a n MET 103 Cb 0.00 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 30.66 1h3a n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1h3a s SER 104 N -0.97 4.75 0.00 7.83 1.04 -1.26 -4.28 113.70 120.81 1h3a s SER 104 Ca 0.66 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1h3a s SER 104 Cb -0.54 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.40 1h3a s SER 104 CO 0.56 0.32 0.89 -2.11 0.98 0.00 0.00 173.24 173.88 1h3a n ARG 105 N 1.87 0.00 -0.04 4.02 1.85 -1.26 -1.90 116.66 121.20 1h3a n ARG 105 Ca -0.17 0.39 -0.16 0.00 -1.00 0.00 0.00 57.85 56.92 1h3a n ARG 105 Cb 0.53 -1.58 -0.13 0.00 -1.05 0.00 0.00 32.46 30.22 1h3a n ARG 105 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1h3a h ASP 106 N 0.00 0.13 -1.70 2.89 3.32 -1.95 -3.35 116.42 115.75 1h3a h ASP 106 Ca 0.00 -0.97 -0.64 0.00 0.02 0.00 0.00 57.03 55.44 1h3a h ASP 106 Cb 0.16 -0.04 0.11 0.00 0.22 0.00 0.00 39.33 39.78 1h3a h ASP 106 CO 0.00 1.13 -0.25 -0.62 -1.72 0.00 0.00 179.24 177.78 1h3a n GLU 107 N -4.47 0.60 -0.23 3.56 1.02 -0.80 -4.54 120.64 115.78 1h3a n GLU 107 Ca -0.12 0.21 0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1h3a n GLU 107 Cb 0.58 -1.38 0.10 0.00 -0.02 0.00 0.00 31.44 30.72 1h3a n GLU 107 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1h3a h GLU 108 N 1.40 0.03 -0.86 3.49 4.81 -1.90 -0.19 114.58 121.36 1h3a h GLU 108 Ca -0.34 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1h3a h GLU 108 Cb 1.40 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.71 1h3a h GLU 108 CO 0.58 0.02 0.57 -1.35 -0.73 0.00 0.00 179.01 178.10 1h3a h PRO 109 N 0.03 0.35 0.15 0.92 0.11 -1.94 -1.04 132.00 130.58 1h3a h PRO 109 Ca 0.35 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 66.13 1h3a h PRO 109 Cb 0.56 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 31.62 1h3a h PRO 109 CO -0.68 0.23 -1.28 0.52 -0.21 0.00 0.00 178.00 176.59 1h3a h MET 110 N 0.36 0.61 0.55 1.05 2.86 -1.34 -3.16 114.93 115.86 1h3a h MET 110 Ca 0.44 -0.85 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1h3a h MET 110 Cb 1.14 0.29 -0.01 0.00 0.06 0.00 0.00 31.60 33.07 1h3a h MET 110 CO -0.14 1.39 -0.46 1.96 1.06 0.00 0.00 176.91 180.72 1h3a h GLN 111 N 0.23 -0.95 -0.94 1.72 1.08 -0.45 0.36 115.11 116.18 1h3a h GLN 111 Ca -0.20 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1h3a h GLN 111 Cb 1.96 0.22 -0.07 0.00 -0.05 0.00 0.00 27.48 29.53 1h3a h GLN 111 CO 0.24 -0.63 0.60 0.87 -0.95 0.00 0.00 178.83 178.96 1h3a h LYS 112 N -0.98 0.93 -0.07 1.46 1.57 -1.57 -0.60 116.57 117.31 1h3a h LYS 112 Ca -0.07 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1h3a h LYS 112 Cb 0.83 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1h3a h LYS 112 CO -0.00 0.62 -0.08 0.00 -0.57 0.00 0.00 179.45 179.42 1h3a h ALA 113 N 1.53 0.11 -0.35 3.86 0.00 -1.47 -2.86 119.26 120.08 1h3a h ALA 113 Ca 0.44 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1h3a h ALA 113 Cb 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1h3a h ALA 113 CO -0.19 -0.08 0.17 1.25 0.00 0.00 0.00 179.25 180.40 1h3a h LEU 114 N -0.26 0.25 -0.97 0.00 6.46 0.16 -2.01 115.31 118.95 1h3a h LEU 114 Ca 0.01 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1h3a h LEU 114 Cb 0.59 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 1h3a h LEU 114 CO 0.02 0.19 0.63 0.03 -0.62 0.00 0.00 178.44 178.68 1h3a h ARG 115 N 0.36 1.12 -0.70 1.25 3.08 -1.17 -1.78 114.38 116.54 1h3a h ARG 115 Ca 0.15 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1h3a h ARG 115 Cb 0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1h3a h ARG 115 CO -0.11 0.74 0.29 0.35 -1.07 0.00 0.00 179.97 180.17 1h3a h PHE 116 N 1.15 1.06 -0.45 3.04 3.57 -1.17 -0.45 116.94 123.70 1h3a h PHE 116 Ca 0.41 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1h3a h PHE 116 Cb 0.13 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1h3a h PHE 116 CO -0.01 0.82 0.13 0.82 -2.23 0.00 0.00 178.31 177.83 1h3a h ILE 117 N 1.00 1.19 -0.07 1.41 2.04 -0.65 -2.66 117.51 119.77 1h3a h ILE 117 Ca 0.24 -0.66 -0.23 0.00 1.00 0.00 0.00 64.86 65.20 1h3a h ILE 117 Cb 0.20 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1h3a h ILE 117 CO -0.02 0.25 -0.89 1.56 0.00 0.00 0.00 178.15 179.05 1h3a h GLN 118 N 0.65 0.64 0.00 2.37 4.20 -0.90 -0.73 115.11 121.34 1h3a h GLN 118 Ca 0.15 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1h3a h GLN 118 Cb 0.22 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1h3a h GLN 118 CO -0.01 1.21 0.00 -1.13 -0.67 0.00 0.00 178.83 178.24 1h3a n SER 119 N -3.86 0.00 0.00 1.46 3.41 -0.22 -1.89 113.62 112.52 1h3a n SER 119 Ca -0.08 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1h3a n SER 119 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1h3a n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h3a n GLN 120 N -0.65 0.49 0.00 4.33 1.13 -1.16 -4.98 117.38 116.53 1h3a n GLN 120 Ca 0.04 -0.77 0.00 0.00 -1.94 0.00 0.00 57.00 54.32 1h3a n GLN 120 Cb 0.02 -0.91 0.00 0.00 0.11 0.00 0.00 30.24 29.46 1h3a n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h3a n GLY 121 N -0.16 1.73 3.49 1.08 0.00 -0.79 -4.38 105.19 106.14 1h3a n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h3a n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3a n GLY 122 N -1.22 -1.48 0.27 -0.02 0.00 -0.29 -4.21 105.19 98.24 1h3a n GLY 122 Ca 0.00 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.48 1h3a n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h3a h ILE 123 N 0.00 0.90 0.00 -0.61 2.10 -1.64 -1.99 117.51 116.27 1h3a h ILE 123 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1h3a h ILE 123 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 1h3a h ILE 123 CO 0.00 0.02 0.00 -0.62 -1.08 0.00 0.00 178.15 176.47 1h3a n GLU 124 N -4.35 0.20 -0.15 2.19 -0.58 -1.26 -1.64 120.64 115.05 1h3a n GLU 124 Ca -0.03 0.11 0.05 0.00 -0.42 0.00 0.00 57.16 56.87 1h3a n GLU 124 Cb 0.10 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.59 1h3a n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1h3a n SER 125 N -1.15 2.71 -4.94 1.62 7.64 -0.75 -4.18 113.62 114.57 1h3a n SER 125 Ca 0.05 -2.33 -0.25 0.00 1.01 0.00 0.00 58.87 57.35 1h3a n SER 125 Cb 0.05 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 1h3a n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h3a s SER 126 N -1.43 6.34 1.24 6.43 1.04 -0.65 -4.71 113.70 121.95 1h3a s SER 126 Ca 0.20 0.44 -0.15 0.00 0.48 0.00 0.00 55.95 56.92 1h3a s SER 126 Cb 0.14 -2.03 0.29 0.00 0.10 0.00 0.00 66.02 64.53 1h3a s SER 126 CO 0.08 -0.20 0.85 -2.11 0.98 0.00 0.00 173.24 172.84 1h3a n ARG 127 N -1.36 -2.90 -0.06 4.02 1.85 -1.26 -4.75 116.66 112.20 1h3a n ARG 127 Ca -0.05 -0.83 -0.10 0.00 -1.00 0.00 0.00 57.85 55.87 1h3a n ARG 127 Cb 0.55 -2.05 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 1h3a n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h3a h VAL 128 N -2.83 1.14 -0.17 8.89 2.07 -1.93 -2.64 116.25 120.77 1h3a h VAL 128 Ca -0.59 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 66.59 1h3a h VAL 128 Cb 1.33 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 1h3a h VAL 128 CO 0.44 0.13 -0.18 -0.26 0.02 0.00 0.00 177.57 177.72 1h3a h PHE 129 N 0.22 -0.47 -0.43 1.57 0.04 -1.91 0.32 116.94 116.29 1h3a h PHE 129 Ca 0.07 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.95 1h3a h PHE 129 Cb 0.12 0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.43 1h3a h PHE 129 CO -0.02 -0.26 0.03 1.15 -0.60 0.00 0.00 178.31 178.61 1h3a h THR 130 N -0.21 0.71 0.00 -1.55 2.02 -1.89 0.63 112.91 112.62 1h3a h THR 130 Ca 0.11 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1h3a h THR 130 Cb 0.37 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1h3a h THR 130 CO -0.29 0.03 -0.27 0.03 0.37 0.00 0.00 175.52 175.38 1h3a h ARG 131 N 0.15 0.00 0.11 6.66 3.08 -1.04 -2.59 114.38 120.75 1h3a h ARG 131 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1h3a h ARG 131 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1h3a h ARG 131 CO -0.32 0.27 -0.05 1.98 -1.07 0.00 0.00 179.97 180.77 1h3a h MET 132 N 0.00 -0.15 -0.43 0.04 4.05 0.18 -1.95 114.93 116.67 1h3a h MET 132 Ca -0.00 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1h3a h MET 132 Cb 0.57 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 1h3a h MET 132 CO 0.04 0.27 0.24 -1.49 0.23 0.00 0.00 176.91 176.20 1h3a h TRP 133 N -0.62 0.45 0.00 1.39 4.06 -1.03 0.15 115.95 120.36 1h3a h TRP 133 Ca -0.02 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1h3a h TRP 133 Cb 0.48 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.50 1h3a h TRP 133 CO 0.07 0.25 -0.01 -0.07 -3.56 0.00 0.00 178.44 175.13 1h3a h LEU 134 N 0.49 0.00 0.00 -4.49 3.38 -1.49 0.18 115.31 113.38 1h3a h LEU 134 Ca 0.18 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 1h3a h LEU 134 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1h3a h LEU 134 CO -0.09 0.01 -1.26 0.00 0.09 0.00 0.00 178.44 177.19 1h3a h ALA 135 N 1.99 0.52 0.00 1.53 0.00 0.02 0.66 119.26 123.98 1h3a h ALA 135 Ca -0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 53.80 1h3a h ALA 135 Cb 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1h3a h ALA 135 CO 0.00 1.35 -0.05 -0.07 0.00 0.00 0.00 179.25 180.49 1h3a h LEU 136 N 0.00 0.00 -1.42 0.00 3.38 0.15 -2.68 115.31 114.74 1h3a h LEU 136 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1h3a h LEU 136 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1h3a h LEU 136 CO 0.11 0.05 -0.19 1.33 0.09 0.00 0.00 178.44 179.83 1h3a n VAL 137 N -3.16 0.00 -1.52 1.22 0.24 -0.90 0.15 118.33 114.36 1h3a n VAL 137 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1h3a n VAL 137 Cb 0.34 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 1h3a n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h3a n GLY 138 N 1.22 0.64 0.53 7.63 0.00 -1.01 -3.24 105.19 110.97 1h3a n GLY 138 Ca 0.10 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1h3a n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h3a n GLU 139 N -1.24 2.37 -3.64 1.61 -0.58 0.22 -4.96 120.64 114.42 1h3a n GLU 139 Ca 0.00 -1.81 -0.08 0.00 -0.42 0.00 0.00 57.16 54.85 1h3a n GLU 139 Cb 0.35 -1.23 -0.07 0.00 -0.57 0.00 0.00 31.44 29.93 1h3a n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1h3a s TYR 140 N -0.96 -0.89 0.18 -0.32 5.04 -0.94 -4.84 117.35 114.62 1h3a s TYR 140 Ca 0.19 1.88 -0.30 0.00 -2.44 0.00 0.00 57.07 56.39 1h3a s TYR 140 Cb 0.10 0.49 -0.08 0.00 0.35 0.00 0.00 41.96 42.82 1h3a s TYR 140 CO 0.14 -0.44 1.31 -1.25 -1.34 0.00 0.00 175.55 173.97 1h3a s PRO 141 N 1.19 4.39 0.44 4.97 0.04 -1.26 -4.14 135.00 140.63 1h3a s PRO 141 Ca -0.07 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.17 1h3a s PRO 141 Cb -0.05 -3.21 0.99 0.00 0.04 0.00 0.00 34.50 32.27 1h3a s PRO 141 CO -0.13 -0.27 1.96 -1.49 0.04 0.00 0.00 177.00 177.11 1h3a h TRP 142 N 5.61 0.00 -0.75 0.56 4.06 -1.95 -2.83 115.95 120.66 1h3a h TRP 142 Ca -0.44 0.00 0.22 0.00 2.06 0.00 0.00 58.89 60.72 1h3a h TRP 142 Cb 1.21 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.34 1h3a h TRP 142 CO 0.63 0.22 0.62 0.93 -3.56 0.00 0.00 178.44 177.28 1h3a h GLU 143 N 0.00 0.00 -0.84 0.49 3.07 -2.01 0.26 114.58 115.55 1h3a h GLU 143 Ca -0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.43 1h3a h GLU 143 Cb 0.41 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.07 1h3a h GLU 143 CO 0.03 0.00 0.48 1.63 -1.40 0.00 0.00 179.01 179.75 1h3a n LYS 144 N -4.00 2.28 -4.60 2.33 5.02 -1.07 -4.91 118.16 113.21 1h3a n LYS 144 Ca 0.15 -3.05 -0.28 0.00 -2.02 0.00 0.00 58.31 53.10 1h3a n LYS 144 Cb 0.89 -2.11 -0.17 0.00 -0.02 0.00 0.00 35.03 33.63 1h3a n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h3a s VAL 145 N -3.27 1.52 -0.23 -0.18 1.01 0.90 -5.06 120.40 115.09 1h3a s VAL 145 Ca 0.54 -0.67 -0.42 0.00 0.00 0.00 0.00 61.98 61.42 1h3a s VAL 145 Cb 0.46 -1.38 -0.19 0.00 0.00 0.00 0.00 36.38 35.28 1h3a s VAL 145 CO 0.09 0.44 1.42 -2.65 0.00 0.00 0.00 175.10 174.40 1h3a n PRO 146 N 4.02 0.32 -2.93 2.72 -0.02 -1.26 -4.90 135.00 132.94 1h3a n PRO 146 Ca -0.20 0.12 -0.40 0.00 -2.02 0.00 0.00 63.50 61.00 1h3a n PRO 146 Cb 0.52 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 1h3a n PRO 146 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1h3a s MET 147 N 1.82 4.61 -0.38 -0.52 1.75 -1.26 -4.86 119.30 120.45 1h3a s MET 147 Ca 0.97 1.21 0.01 0.00 -1.25 0.00 0.00 55.69 56.63 1h3a s MET 147 Cb -1.29 -3.29 0.14 0.00 2.84 0.00 0.00 34.83 33.22 1h3a s MET 147 CO 0.67 0.49 0.22 0.08 -0.65 0.00 0.00 175.02 175.83 1h3a s VAL 148 N -0.87 0.61 0.42 10.11 1.01 -1.26 -4.91 120.40 125.51 1h3a s VAL 148 Ca 0.38 -2.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.07 1h3a s VAL 148 Cb -0.23 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 1h3a s VAL 148 CO 0.27 -0.96 1.21 -2.16 0.00 0.00 0.00 175.10 173.46 1h3a s PRO 149 N 0.79 3.92 0.55 2.72 0.04 -1.26 -4.22 135.00 137.54 1h3a s PRO 149 Ca 0.18 1.92 0.26 0.00 0.04 0.00 0.00 61.00 63.41 1h3a s PRO 149 Cb -0.23 -2.62 1.57 0.00 0.04 0.00 0.00 34.50 33.27 1h3a s PRO 149 CO 0.00 -0.46 2.16 -1.35 0.04 0.00 0.00 177.00 177.39 1h3a h PRO 150 N 2.46 0.00 0.00 0.56 0.11 -1.91 -2.48 132.00 130.73 1h3a h PRO 150 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1h3a h PRO 150 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1h3a h PRO 150 CO 0.62 0.06 0.38 0.93 -0.21 0.00 0.00 178.00 179.77 1h3a h GLU 151 N 0.00 0.00 0.00 1.05 3.07 -1.92 0.85 114.58 117.63 1h3a h GLU 151 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1h3a h GLU 151 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1h3a h GLU 151 CO 0.01 0.00 0.08 0.97 -1.40 0.00 0.00 179.01 178.67 1h3a h ILE 152 N 0.00 0.00 0.00 3.13 2.10 -1.83 0.10 117.51 121.01 1h3a h ILE 152 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1h3a h ILE 152 Cb 0.75 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 1h3a h ILE 152 CO 0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1h3a n MET 153 N -2.81 0.02 0.10 2.19 2.81 0.29 -2.86 117.12 116.85 1h3a n MET 153 Ca -0.02 0.15 0.06 0.00 -1.81 0.00 0.00 57.70 56.07 1h3a n MET 153 Cb 0.14 -1.52 -0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1h3a n MET 153 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1h3a h PHE 154 N 0.00 0.00 -2.16 2.03 0.04 -1.01 -3.46 116.94 112.38 1h3a h PHE 154 Ca 0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 1h3a h PHE 154 Cb 0.38 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.56 1h3a h PHE 154 CO 0.00 0.30 1.06 1.28 -0.60 0.00 0.00 178.31 180.35 1h3a n LEU 155 N -2.91 3.53 0.00 1.54 4.77 -1.14 -4.95 117.00 117.84 1h3a n LEU 155 Ca -0.03 0.99 -0.18 0.00 -0.03 0.00 0.00 56.01 56.76 1h3a n LEU 155 Cb 0.69 -1.42 0.18 0.00 -2.33 0.00 0.00 43.42 40.54 1h3a n LEU 155 CO 0.40 -0.04 0.21 0.61 -1.33 0.00 0.00 177.39 177.24 1h3a n GLY 156 N 4.22 -3.88 0.26 -0.72 0.00 -1.26 -4.78 105.19 99.04 1h3a n GLY 156 Ca 0.21 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1h3a n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h3a h LYS 157 N 0.00 0.91 -2.30 1.61 1.57 -2.00 -3.32 116.57 113.04 1h3a h LYS 157 Ca -0.24 -0.37 -0.70 0.00 -1.87 0.00 0.00 60.65 57.48 1h3a h LYS 157 Cb 0.79 -0.04 -0.35 0.00 0.08 0.00 0.00 32.23 32.72 1h3a h LYS 157 CO 0.14 1.02 0.17 2.89 -0.57 0.00 0.00 179.45 183.10 1h3a n ARG 158 N -4.21 4.23 -4.26 3.15 0.00 -1.26 -4.94 116.66 109.38 1h3a n ARG 158 Ca -0.00 -4.76 -0.14 0.00 -0.00 0.00 0.00 57.85 52.95 1h3a n ARG 158 Cb 0.41 -2.36 -0.10 0.00 -0.00 0.00 0.00 32.46 30.42 1h3a n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1h3a s MET 159 N -3.76 1.14 0.08 2.89 -1.94 -1.25 -5.13 119.30 111.34 1h3a s MET 159 Ca 0.43 -1.54 -0.31 0.00 -1.71 0.00 0.00 55.69 52.56 1h3a s MET 159 Cb 0.22 -0.38 -0.07 0.00 2.01 0.00 0.00 34.83 36.61 1h3a s MET 159 CO -0.11 -0.09 1.41 -1.25 -0.01 0.00 0.00 175.02 174.97 1h3a s PRO 160 N -3.88 4.30 -0.99 2.03 0.04 -1.26 -3.34 135.00 131.91 1h3a s PRO 160 Ca 0.23 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1h3a s PRO 160 Cb 0.05 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1h3a s PRO 160 CO 0.04 -0.49 0.00 1.28 0.04 0.00 0.00 177.00 177.87 1h3a n LEU 161 N 4.43 -1.45 -4.79 -3.56 4.77 -1.26 -5.01 117.00 110.12 1h3a n LEU 161 Ca 0.12 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 1h3a n LEU 161 Cb 0.42 -1.81 -0.04 0.00 -2.33 0.00 0.00 43.42 39.66 1h3a n LEU 161 CO 0.59 -0.16 0.71 0.54 -1.33 0.00 0.00 177.39 177.73 1h3a s ASN 162 N -2.53 6.66 0.65 -1.43 2.20 -1.21 -4.89 114.94 114.39 1h3a s ASN 162 Ca 0.00 1.93 0.21 0.00 -0.94 0.00 0.00 52.86 54.06 1h3a s ASN 162 Cb 0.00 -2.57 1.08 0.00 -2.00 0.00 0.00 41.25 37.76 1h3a s ASN 162 CO 0.00 -0.56 1.60 0.16 -2.94 0.00 0.00 177.10 175.36 1h3a h ILE 163 N 1.93 0.05 -0.24 0.54 3.07 -1.86 0.29 117.51 121.29 1h3a h ILE 163 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1h3a h ILE 163 Cb 1.21 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 1h3a h ILE 163 CO 0.61 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.49 1h3a n TYR 164 N -2.92 0.32 0.91 0.16 4.01 -1.26 -3.52 117.16 114.87 1h3a n TYR 164 Ca 0.02 -0.16 0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1h3a n TYR 164 Cb 0.69 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.64 1h3a n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h3a n GLU 165 N 0.45 0.79 -2.59 -0.72 1.02 0.10 -4.95 120.64 114.74 1h3a n GLU 165 Ca 0.15 -0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 56.82 1h3a n GLU 165 Cb 0.33 -1.42 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1h3a n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1h3a s PHE 166 N -2.69 2.92 0.43 -0.32 0.40 -1.23 -4.58 117.98 112.90 1h3a s PHE 166 Ca 0.10 0.11 -0.23 0.00 -0.60 0.00 0.00 56.93 56.31 1h3a s PHE 166 Cb 0.15 -2.78 -0.09 0.00 0.51 0.00 0.00 43.02 40.81 1h3a s PHE 166 CO 0.73 -0.91 1.07 0.20 0.70 0.00 0.00 175.22 177.01 1h3a s GLY 167 N -4.42 2.71 0.40 4.36 0.00 0.23 -4.73 107.32 105.87 1h3a s GLY 167 Ca 0.57 0.74 0.22 0.00 0.00 0.00 0.00 44.72 46.24 1h3a s GLY 167 CO 0.40 1.15 1.70 1.48 0.00 0.00 0.00 173.10 177.83 1h3a h SER 168 N 2.25 0.39 -0.13 1.64 4.64 -1.94 0.58 113.55 120.98 1h3a h SER 168 Ca -0.49 0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 60.79 1h3a h SER 168 Cb 1.22 0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1h3a h SER 168 CO 0.61 -0.05 -0.56 4.11 -0.87 0.00 0.00 176.83 180.06 1h3a h TRP 169 N 0.27 0.81 -0.08 4.77 0.09 -1.94 -3.18 115.95 116.70 1h3a h TRP 169 Ca 0.70 -0.35 -0.21 0.00 0.09 0.00 0.00 58.89 59.13 1h3a h TRP 169 Cb 1.92 -0.13 0.00 0.00 0.08 0.00 0.00 29.16 31.04 1h3a h TRP 169 CO -0.00 1.14 -0.80 0.00 0.09 0.00 0.00 178.44 178.87 1h3a h ALA 170 N 0.51 0.46 -0.03 0.11 0.00 -1.24 -3.26 119.26 115.80 1h3a h ALA 170 Ca -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.26 1h3a h ALA 170 Cb 1.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1h3a h ALA 170 CO 0.12 0.75 -0.28 -0.09 0.00 0.00 0.00 179.25 179.75 1h3a h ARG 171 N 0.34 -0.31 -0.96 0.00 2.43 -0.01 0.14 114.38 116.01 1h3a h ARG 171 Ca -0.05 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.34 1h3a h ARG 171 Cb 1.40 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.94 1h3a h ARG 171 CO 0.15 -0.21 0.61 0.00 -1.51 0.00 0.00 179.97 179.01 1h3a h ALA 172 N -0.91 1.97 -0.13 2.80 0.00 -1.67 -0.84 119.26 120.49 1h3a h ALA 172 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1h3a h ALA 172 Cb 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1h3a h ALA 172 CO -0.20 -0.30 -0.00 1.15 0.00 0.00 0.00 179.25 179.89 1h3a h THR 173 N 0.57 1.26 -0.70 0.00 2.02 -1.37 -1.79 112.91 112.89 1h3a h THR 173 Ca 0.53 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.88 1h3a h THR 173 Cb 1.07 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 1h3a h THR 173 CO -0.27 0.24 0.45 0.58 0.37 0.00 0.00 175.52 176.89 1h3a h VAL 174 N -0.03 1.13 -0.52 3.16 2.07 0.56 0.56 116.25 123.18 1h3a h VAL 174 Ca 0.04 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1h3a h VAL 174 Cb 0.38 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1h3a h VAL 174 CO 0.01 0.16 0.11 0.58 0.02 0.00 0.00 177.57 178.45 1h3a h VAL 175 N 0.90 1.25 -0.30 2.57 2.07 -1.20 -0.29 116.25 121.25 1h3a h VAL 175 Ca 0.27 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1h3a h VAL 175 Cb -0.04 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1h3a h VAL 175 CO -0.08 0.32 -0.10 0.00 0.02 0.00 0.00 177.57 177.73 1h3a h ALA 176 N 0.99 0.42 -0.12 1.67 0.00 -0.98 -3.19 119.26 118.05 1h3a h ALA 176 Ca 0.16 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1h3a h ALA 176 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1h3a h ALA 176 CO 0.00 0.27 -0.45 -0.07 0.00 0.00 0.00 179.25 179.01 1h3a h LEU 177 N 0.36 0.30 -1.14 0.00 3.38 -0.83 -2.99 115.31 114.39 1h3a h LEU 177 Ca 0.07 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.10 1h3a h LEU 177 Cb 0.61 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1h3a h LEU 177 CO 0.04 0.71 0.61 0.77 0.09 0.00 0.00 178.44 180.66 1h3a h SER 178 N 0.23 0.69 -0.16 -0.43 4.64 -1.03 0.74 113.55 118.25 1h3a h SER 178 Ca 0.02 0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 1h3a h SER 178 Cb 0.88 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1h3a h SER 178 CO 0.07 0.26 -0.50 0.40 -0.87 0.00 0.00 176.83 176.18 1h3a h ILE 179 N 0.68 1.33 -0.03 0.95 2.04 -1.61 -1.94 117.51 118.94 1h3a h ILE 179 Ca 0.55 -1.77 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1h3a h ILE 179 Cb 0.96 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1h3a h ILE 179 CO -0.32 0.54 0.01 0.58 0.00 0.00 0.00 178.15 178.96 1h3a h VAL 180 N 0.27 1.13 0.00 1.67 2.07 -0.73 -2.55 116.25 118.11 1h3a h VAL 180 Ca -0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1h3a h VAL 180 Cb 1.13 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1h3a h VAL 180 CO 0.11 0.10 0.00 0.24 0.02 0.00 0.00 177.57 178.04 1h3a h MET 181 N -0.11 0.00 -0.14 1.57 2.86 0.29 0.17 114.93 119.56 1h3a h MET 181 Ca 0.01 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1h3a h MET 181 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1h3a h MET 181 CO -0.00 0.00 -0.53 1.03 1.06 0.00 0.00 176.91 178.47 1h3a h SER 182 N 0.00 0.43 0.00 1.22 0.87 -0.92 -3.23 113.55 111.93 1h3a h SER 182 Ca 0.00 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1h3a h SER 182 Cb 0.42 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1h3a h SER 182 CO 0.00 0.88 -1.93 0.54 -0.53 0.00 0.00 176.83 175.79 1h3a n ARG 183 N -3.95 0.62 -3.84 2.24 5.12 -1.04 -5.02 116.66 110.80 1h3a n ARG 183 Ca -0.02 -0.18 -0.35 0.00 -1.93 0.00 0.00 57.85 55.38 1h3a n ARG 183 Cb 0.58 -1.48 0.02 0.00 -1.16 0.00 0.00 32.46 30.43 1h3a n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1h3a n GLN 184 N -2.22 -1.28 -1.85 5.56 6.02 0.02 -4.91 117.38 118.73 1h3a n GLN 184 Ca -0.05 0.34 -0.34 0.00 -0.01 0.00 0.00 57.00 56.95 1h3a n GLN 184 Cb 0.55 -3.77 0.04 0.00 1.02 0.00 0.00 30.24 28.08 1h3a n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h3a s PRO 185 N -6.47 2.86 -0.08 -1.09 0.04 -1.26 -5.06 135.00 123.95 1h3a s PRO 185 Ca 0.40 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1h3a s PRO 185 Cb -0.17 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1h3a s PRO 185 CO 0.90 -1.22 -0.07 0.08 0.04 0.00 0.00 177.00 176.72 1h3a s VAL 186 N -2.13 0.88 -0.67 -0.36 1.01 -1.26 -4.58 120.40 113.28 1h3a s VAL 186 Ca 0.70 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1h3a s VAL 186 Cb -0.23 -0.88 0.17 0.00 0.00 0.00 0.00 36.38 35.44 1h3a s VAL 186 CO 0.38 0.32 0.47 -0.36 0.00 0.00 0.00 175.10 175.91 1h3a s PHE 187 N 1.29 3.48 0.23 5.22 0.08 0.12 -4.96 117.98 123.44 1h3a s PHE 187 Ca -0.04 -3.13 -0.28 0.00 0.12 0.00 0.00 56.93 53.60 1h3a s PHE 187 Cb -0.14 -2.93 -0.16 0.00 -0.57 0.00 0.00 43.02 39.23 1h3a s PHE 187 CO -0.03 -0.69 0.68 -2.30 -0.10 0.00 0.00 175.22 172.78 1h3a n PRO 188 N 2.64 0.43 -3.94 0.24 -0.02 -1.24 -4.24 135.00 128.87 1h3a n PRO 188 Ca 0.14 0.15 -0.30 0.00 -2.02 0.00 0.00 63.50 61.46 1h3a n PRO 188 Cb 0.35 -1.27 -0.04 0.00 -0.02 0.00 0.00 33.50 32.52 1h3a n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h3a s LEU 189 N 2.17 4.29 0.57 2.45 1.43 -1.20 -5.02 118.68 123.37 1h3a s LEU 189 Ca 0.63 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.74 1h3a s LEU 189 Cb -0.86 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1h3a s LEU 189 CO 0.57 0.16 1.33 -2.16 0.23 0.00 0.00 176.35 176.48 1h3a s PRO 190 N -2.58 2.98 0.52 1.29 0.04 -1.26 -4.74 135.00 131.25 1h3a s PRO 190 Ca 0.34 2.17 0.34 0.00 0.04 0.00 0.00 61.00 63.90 1h3a s PRO 190 Cb -0.13 -2.14 1.49 0.00 0.04 0.00 0.00 34.50 33.76 1h3a s PRO 190 CO 0.27 -1.30 1.79 0.93 0.04 0.00 0.00 177.00 178.74 1h3a h GLU 191 N 1.20 0.06 0.00 4.56 3.07 -1.98 0.57 114.58 122.06 1h3a h GLU 191 Ca -0.51 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 1h3a h GLU 191 Cb 1.31 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1h3a h GLU 191 CO 0.56 0.04 -0.06 -0.09 -1.40 0.00 0.00 179.01 178.06 1h3a h ARG 192 N 0.06 0.00 -0.00 2.33 2.43 -1.98 -2.95 114.38 114.27 1h3a h ARG 192 Ca 0.58 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1h3a h ARG 192 Cb 2.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 1h3a h ARG 192 CO -0.06 0.06 -0.79 0.00 -1.51 0.00 0.00 179.97 177.67 1h3a n ALA 193 N -2.15 4.22 -1.61 2.80 0.00 0.20 -4.91 120.51 119.06 1h3a n ALA 193 Ca -0.00 -0.51 -0.50 0.00 0.00 0.00 0.00 53.44 52.43 1h3a n ALA 193 Cb 0.28 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1h3a n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h3a n ARG 194 N -1.30 1.41 -3.10 0.00 5.12 -1.02 -4.80 116.66 112.97 1h3a n ARG 194 Ca 0.04 0.51 -0.29 0.00 -1.93 0.00 0.00 57.85 56.18 1h3a n ARG 194 Cb 0.28 -2.18 -0.05 0.00 -1.16 0.00 0.00 32.46 29.35 1h3a n ARG 194 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1h3a n VAL 195 N 2.72 3.15 0.21 1.55 0.24 -1.26 -4.84 118.33 120.10 1h3a n VAL 195 Ca 0.18 -5.50 0.09 0.00 -2.04 0.00 0.00 64.34 57.07 1h3a n VAL 195 Cb 0.22 -1.71 0.39 0.00 -1.47 0.00 0.00 33.84 31.27 1h3a n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1h3a h PRO 196 N 3.63 0.00 0.00 7.34 0.13 -1.96 -3.11 132.00 138.04 1h3a h PRO 196 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1h3a h PRO 196 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1h3a h PRO 196 CO 0.88 0.24 0.06 1.05 -0.23 0.00 0.00 178.00 179.99 1h3a h GLU 197 N 0.00 0.00 0.00 0.86 9.09 -1.96 0.02 114.58 122.59 1h3a h GLU 197 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1h3a h GLU 197 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 1h3a h GLU 197 CO 0.03 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.37 1h3a n LEU 198 N -2.37 0.00 -0.12 3.06 4.77 -1.18 -2.65 117.00 118.51 1h3a n LEU 198 Ca -0.02 0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 1h3a n LEU 198 Cb 0.09 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.65 1h3a n LEU 198 CO 0.11 -0.21 -1.28 -1.22 -1.33 0.00 0.00 177.39 173.46 1h3a n TYR 199 N -1.41 0.00 -1.54 -1.77 4.01 -0.01 -1.83 117.16 114.61 1h3a n TYR 199 Ca 0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1h3a n TYR 199 Cb 0.15 -0.97 -0.06 0.00 -0.31 0.00 0.00 39.34 38.15 1h3a n TYR 199 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h3a n GLU 200 N -3.12 0.77 -3.64 -0.72 1.02 -1.08 -4.84 120.64 109.02 1h3a n GLU 200 Ca -0.42 -0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 56.50 1h3a n GLU 200 Cb 1.01 -3.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.26 1h3a n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1h3a s THR 201 N 11.72 0.00 -0.16 2.62 2.01 -1.26 -4.88 115.64 125.69 1h3a s THR 201 Ca 1.05 0.00 0.22 0.00 0.31 0.00 0.00 61.69 63.27 1h3a s THR 201 Cb -0.36 -1.00 -0.20 0.00 0.01 0.00 0.00 72.50 70.94 1h3a s THR 201 CO 0.28 0.00 0.72 -0.90 -0.69 0.00 0.00 174.62 174.04 1h3a n ASP 202 N 2.46 0.36 -4.75 3.53 5.75 -1.26 -4.94 116.55 117.71 1h3a n ASP 202 Ca -0.13 0.09 -0.41 0.00 -0.01 0.00 0.00 54.79 54.32 1h3a n ASP 202 Cb 0.56 1.35 -0.02 0.00 -1.03 0.00 0.00 41.12 41.98 1h3a n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1h3a s VAL 203 N -3.43 2.40 0.21 2.12 1.01 -1.26 -4.94 120.40 116.51 1h3a s VAL 203 Ca -0.04 0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 1h3a s VAL 203 Cb 0.12 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 1h3a s VAL 203 CO 0.86 0.06 1.58 -2.16 0.00 0.00 0.00 175.10 175.44 1h3a s PRO 204 N -0.58 4.19 -0.23 2.72 0.04 -1.26 -4.49 135.00 135.40 1h3a s PRO 204 Ca 0.60 2.43 -0.28 0.00 0.04 0.00 0.00 61.00 63.79 1h3a s PRO 204 Cb -0.44 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1h3a s PRO 204 CO 0.47 -0.61 2.00 -1.25 0.04 0.00 0.00 177.00 177.64 1h3a s PRO 205 N 0.67 3.37 -1.18 0.56 0.04 -1.26 -4.56 135.00 132.64 1h3a s PRO 205 Ca 0.68 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 1h3a s PRO 205 Cb -0.45 -4.26 0.23 0.00 0.04 0.00 0.00 34.50 30.06 1h3a s PRO 205 CO 0.36 -1.82 1.47 2.89 0.04 0.00 0.00 177.00 179.94 1h3a n ARG 206 N 8.41 3.72 -1.70 4.56 1.85 -1.26 -4.94 116.66 127.29 1h3a n ARG 206 Ca 0.25 -4.08 -0.35 0.00 -1.00 0.00 0.00 57.85 52.67 1h3a n ARG 206 Cb 0.45 -2.78 0.07 0.00 -1.05 0.00 0.00 32.46 29.15 1h3a n ARG 206 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1h3a s ARG 207 N -0.38 2.52 -0.21 2.89 3.52 -1.26 -4.72 118.95 121.31 1h3a s ARG 207 Ca 0.37 1.81 -0.12 0.00 -0.13 0.00 0.00 55.73 57.65 1h3a s ARG 207 Cb -0.00 -1.87 -0.05 0.00 -1.56 0.00 0.00 34.95 31.47 1h3a s ARG 207 CO 0.00 -1.55 0.23 0.50 -0.81 0.00 0.00 175.30 173.68 1h3a s ARG 208 N -3.65 4.14 0.91 5.12 3.52 -1.26 -5.09 118.95 122.64 1h3a s ARG 208 Ca 0.76 -0.09 -0.13 0.00 -0.13 0.00 0.00 55.73 56.14 1h3a s ARG 208 Cb -0.30 -3.50 0.18 0.00 -1.56 0.00 0.00 34.95 29.76 1h3a s ARG 208 CO 0.40 0.10 1.26 0.20 -0.81 0.00 0.00 175.30 176.45 1h3a s GLY 209 N 0.86 1.76 0.92 8.12 0.00 -1.26 -5.00 107.32 112.72 1h3a s GLY 209 Ca 0.12 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 1h3a s GLY 209 CO 0.04 -0.51 0.97 0.00 0.00 0.00 0.00 173.10 173.60 1h3a n ALA 210 N -3.57 -1.20 0.20 3.20 0.00 -1.26 -4.76 120.51 113.11 1h3a n ALA 210 Ca 0.14 -0.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1h3a n ALA 210 Cb 0.60 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.87 1h3a n ALA 210 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1h3a h LYS 211 N -1.73 -0.69 -0.65 0.00 1.79 -1.69 -2.80 116.57 110.79 1h3a h LYS 211 Ca -0.43 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1h3a h LYS 211 Cb 1.28 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1h3a h LYS 211 CO 0.40 -0.46 0.00 0.41 -1.08 0.00 0.00 179.45 178.72 1h3a n GLY 212 N -1.46 2.49 0.00 3.86 0.00 0.07 -5.03 105.19 105.12 1h3a n GLY 212 Ca -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1h3a n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3a n GLY 213 N 0.69 1.86 3.36 -0.02 0.00 -1.06 -4.90 105.19 105.13 1h3a n GLY 213 Ca 0.22 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 1h3a n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3a s GLY 214 N -0.26 1.58 0.16 -0.02 0.00 -1.26 -4.32 107.32 103.20 1h3a s GLY 214 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.68 1h3a s GLY 214 CO 0.00 0.01 0.44 -0.32 0.00 0.00 0.00 173.10 173.23 1h3a s GLY 215 N 0.68 2.27 0.54 0.20 0.00 -1.26 -4.97 107.32 104.78 1h3a s GLY 215 Ca -0.05 -0.43 0.25 0.00 0.00 0.00 0.00 44.72 44.49 1h3a s GLY 215 CO 0.02 -0.31 2.00 0.11 0.00 0.00 0.00 173.10 174.92 1h3a h TRP 216 N 2.86 0.00 0.49 1.90 5.08 -1.99 -2.08 115.95 122.21 1h3a h TRP 216 Ca -0.47 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 1h3a h TRP 216 Cb 1.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1h3a h TRP 216 CO 0.62 0.00 -0.30 0.82 -1.28 0.00 0.00 178.44 178.30 1h3a h ILE 217 N 0.00 0.00 -0.98 0.12 5.03 -1.99 -0.23 117.51 119.46 1h3a h ILE 217 Ca 0.23 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 65.06 1h3a h ILE 217 Cb 0.96 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.68 1h3a h ILE 217 CO -0.00 0.00 0.63 -0.26 -0.68 0.00 0.00 178.15 177.84 1h3a h PHE 218 N -0.74 1.13 -0.81 1.37 0.04 -1.83 0.25 116.94 116.35 1h3a h PHE 218 Ca -0.07 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1h3a h PHE 218 Cb 0.59 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 1h3a h PHE 218 CO -0.02 0.53 0.53 0.22 -0.60 0.00 0.00 178.31 178.98 1h3a h ASP 219 N 1.06 0.90 -0.09 2.17 3.58 -1.23 -0.31 116.42 122.49 1h3a h ASP 219 Ca 0.45 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.74 1h3a h ASP 219 Cb 0.31 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.16 1h3a h ASP 219 CO -0.20 0.63 -0.50 0.00 -2.88 0.00 0.00 179.24 176.30 1h3a h ALA 220 N 1.32 0.19 -0.99 -0.78 0.00 0.26 -2.94 119.26 116.32 1h3a h ALA 220 Ca 0.31 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1h3a h ALA 220 Cb -0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1h3a h ALA 220 CO -0.09 0.37 0.63 1.25 0.00 0.00 0.00 179.25 181.41 1h3a h LEU 221 N 0.09 0.94 -0.39 0.00 5.85 -0.23 -0.12 115.31 121.45 1h3a h LEU 221 Ca -0.04 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1h3a h LEU 221 Cb 1.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1h3a h LEU 221 CO 0.10 0.54 0.10 -0.78 -0.34 0.00 0.00 178.44 178.06 1h3a h ASP 222 N 1.03 0.59 -0.20 1.25 3.58 -1.06 -1.20 116.42 120.41 1h3a h ASP 222 Ca 0.47 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 1h3a h ASP 222 Cb 0.39 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1h3a h ASP 222 CO -0.23 0.66 0.07 0.03 -2.88 0.00 0.00 179.24 176.89 1h3a h ARG 223 N 0.49 0.38 -0.28 0.28 3.08 -1.07 -2.12 114.38 115.14 1h3a h ARG 223 Ca 0.12 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1h3a h ARG 223 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1h3a h ARG 223 CO -0.00 0.35 -0.20 0.00 -1.07 0.00 0.00 179.97 179.06 1h3a h ALA 224 N 1.70 0.41 -0.11 0.04 0.00 -0.57 -2.85 119.26 117.88 1h3a h ALA 224 Ca 0.09 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1h3a h ALA 224 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h3a h ALA 224 CO -0.00 0.34 0.01 -0.07 0.00 0.00 0.00 179.25 179.53 1h3a h LEU 225 N 0.37 -0.02 -1.60 0.00 3.38 -0.62 0.41 115.31 117.24 1h3a h LEU 225 Ca 0.06 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1h3a h LEU 225 Cb 0.74 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1h3a h LEU 225 CO 0.05 0.01 0.43 0.45 0.09 0.00 0.00 178.44 179.47 1h3a h HIS 226 N 0.05 0.48 -0.00 1.13 3.86 -1.42 0.38 115.15 119.63 1h3a h HIS 226 Ca 0.05 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1h3a h HIS 226 Cb 0.05 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 1h3a h HIS 226 CO -0.13 0.23 -0.00 0.78 0.86 0.00 0.00 177.93 179.67 1h3a h GLY 227 N 0.45 0.01 2.00 2.45 0.00 -1.05 -2.84 103.07 104.09 1h3a h GLY 227 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1h3a h GLY 227 CO -0.09 0.01 0.00 -1.82 0.00 0.00 0.00 176.54 174.64 1h3a h TYR 228 N -0.50 0.00 0.00 5.60 3.20 -0.01 -0.70 116.97 124.56 1h3a h TYR 228 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1h3a h TYR 228 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1h3a h TYR 228 CO 0.10 0.00 0.00 0.94 -1.64 0.00 0.00 178.16 177.56 1h3a n GLN 229 N -3.06 0.20 0.00 1.82 -0.06 0.12 -3.15 117.38 113.26 1h3a n GLN 229 Ca -0.02 0.25 0.11 0.00 -2.00 0.00 0.00 57.00 55.34 1h3a n GLN 229 Cb 0.15 -1.77 -0.07 0.00 -4.06 0.00 0.00 30.24 24.49 1h3a n GLN 229 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1h3a n LYS 230 N -2.12 0.16 -0.57 3.69 5.02 -0.27 -4.98 118.16 119.09 1h3a n LYS 230 Ca 0.05 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 1h3a n LYS 230 Cb 0.35 -1.52 0.22 0.00 -0.02 0.00 0.00 35.03 34.05 1h3a n LYS 230 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1h3a n LEU 231 N -1.71 0.03 0.10 -0.35 4.77 -1.19 -4.94 117.00 113.71 1h3a n LEU 231 Ca 0.02 0.05 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1h3a n LEU 231 Cb 0.39 -1.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1h3a n LEU 231 CO 0.42 -2.95 0.13 -1.28 -1.33 0.00 0.00 177.39 172.38 1h3a h SER 232 N -2.33 0.00 -3.39 -1.43 0.87 -1.93 -3.45 113.55 101.88 1h3a h SER 232 Ca -0.54 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 59.61 1h3a h SER 232 Cb 1.31 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.92 1h3a h SER 232 CO 0.45 0.36 -0.76 0.68 -0.53 0.00 0.00 176.83 177.02 1h3a s VAL 233 N -3.07 0.40 -0.44 2.23 -7.23 -1.26 -5.10 120.40 105.93 1h3a s VAL 233 Ca 0.01 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1h3a s VAL 233 Cb 0.08 -0.49 0.12 0.00 0.56 0.00 0.00 36.38 36.65 1h3a s VAL 233 CO 0.77 0.22 0.21 -1.00 -0.31 0.00 0.00 175.10 174.99 1h3a s HIS 234 N 1.35 3.56 0.22 2.82 0.09 -1.26 -5.09 115.29 116.98 1h3a s HIS 234 Ca -0.05 -2.74 -0.31 0.00 -0.00 0.00 0.00 55.06 51.96 1h3a s HIS 234 Cb -0.13 -3.08 -0.11 0.00 -0.00 0.00 0.00 32.58 29.25 1h3a s HIS 234 CO -0.02 -0.91 1.64 -1.25 -0.00 0.00 0.00 174.74 174.19 1h3a s PRO 235 N 0.68 4.15 0.00 8.40 0.04 -1.26 -2.64 135.00 144.37 1h3a s PRO 235 Ca 0.12 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1h3a s PRO 235 Cb -0.22 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1h3a s PRO 235 CO -0.05 -0.67 0.00 1.19 0.04 0.00 0.00 177.00 177.51 1h3a n PHE 236 N 3.43 0.00 0.21 0.56 3.72 -1.26 -4.83 117.46 119.29 1h3a n PHE 236 Ca 0.13 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.59 1h3a n PHE 236 Cb 0.37 -0.89 0.45 0.00 -0.94 0.00 0.00 39.48 38.47 1h3a n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1h3a h ARG 237 N 1.17 0.00 0.05 -1.08 2.43 -1.94 -1.56 114.38 113.46 1h3a h ARG 237 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1h3a h ARG 237 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1h3a h ARG 237 CO 0.00 0.30 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.65 1h3a h ARG 238 N 0.00 -0.07 -0.24 0.20 2.43 -1.88 -1.45 114.38 113.37 1h3a h ARG 238 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1h3a h ARG 238 Cb 0.64 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1h3a h ARG 238 CO 0.04 -0.01 -0.27 0.00 -1.51 0.00 0.00 179.97 178.22 1h3a h ALA 239 N 0.84 1.10 -0.74 2.80 0.00 -1.92 -2.69 119.26 118.65 1h3a h ALA 239 Ca -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1h3a h ALA 239 Cb 0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1h3a h ALA 239 CO 0.01 0.56 0.42 0.00 0.00 0.00 0.00 179.25 180.24 1h3a h ALA 240 N 1.31 1.00 0.02 0.00 0.00 -0.80 0.21 119.26 121.00 1h3a h ALA 240 Ca 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h3a h ALA 240 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1h3a h ALA 240 CO 0.05 0.10 -0.01 0.93 0.00 0.00 0.00 179.25 180.32 1h3a h GLU 241 N 0.76 -0.02 -0.96 0.00 5.08 -1.03 -2.94 114.58 115.46 1h3a h GLU 241 Ca 0.33 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 1h3a h GLU 241 Cb 0.22 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1h3a h GLU 241 CO -0.20 0.31 0.61 0.82 -1.00 0.00 0.00 179.01 179.55 1h3a h ILE 242 N -0.36 0.90 -0.69 3.13 2.04 -1.14 0.19 117.51 121.58 1h3a h ILE 242 Ca -0.00 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1h3a h ILE 242 Cb 0.35 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1h3a h ILE 242 CO 0.00 0.16 0.45 0.03 0.00 0.00 0.00 178.15 178.80 1h3a h ARG 243 N 0.89 0.81 -0.01 2.37 2.47 -0.84 0.11 114.38 120.19 1h3a h ARG 243 Ca 0.47 -0.05 -0.25 0.00 -1.26 0.00 0.00 59.98 58.90 1h3a h ARG 243 Cb 0.55 -0.18 0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1h3a h ARG 243 CO -0.24 0.54 -0.95 0.00 0.56 0.00 0.00 179.97 179.87 1h3a h ALA 244 N 1.60 0.13 0.22 0.04 0.00 -0.56 -2.58 119.26 118.11 1h3a h ALA 244 Ca 0.27 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1h3a h ALA 244 Cb 0.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1h3a h ALA 244 CO -0.07 0.63 -0.11 1.25 0.00 0.00 0.00 179.25 180.94 1h3a h LEU 245 N 0.32 -0.28 -0.96 0.00 5.85 -0.25 -2.21 115.31 117.78 1h3a h LEU 245 Ca -0.12 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1h3a h LEU 245 Cb 1.62 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.68 1h3a h LEU 245 CO 0.19 -0.19 0.54 0.44 -0.34 0.00 0.00 178.44 179.08 1h3a h ASP 246 N -0.31 1.12 -0.76 1.25 3.32 -1.10 -1.29 116.42 118.65 1h3a h ASP 246 Ca -0.03 -0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.03 1h3a h ASP 246 Cb 0.25 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 1h3a h ASP 246 CO 0.04 0.87 0.42 -0.25 -1.72 0.00 0.00 179.24 178.60 1h3a h TRP 247 N 1.27 0.76 -0.00 4.55 7.01 -1.17 -0.62 115.95 127.74 1h3a h TRP 247 Ca 0.33 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.36 1h3a h TRP 247 Cb -0.03 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 1h3a h TRP 247 CO 0.01 0.31 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.89 1h3a h LEU 248 N 0.71 0.00 -1.61 0.65 3.38 -0.85 -3.02 115.31 114.59 1h3a h LEU 248 Ca 0.36 -0.46 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1h3a h LEU 248 Cb 0.33 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1h3a h LEU 248 CO -0.24 0.46 0.48 -0.07 0.09 0.00 0.00 178.44 179.16 1h3a h LEU 249 N -0.45 0.37 -0.52 1.67 3.38 -0.83 -0.85 115.31 118.08 1h3a h LEU 249 Ca 0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1h3a h LEU 249 Cb 0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1h3a h LEU 249 CO 0.00 0.20 -0.54 -0.33 0.09 0.00 0.00 178.44 177.86 1h3a h GLU 250 N 0.40 0.00 -0.29 1.13 5.08 -1.10 -3.30 114.58 116.49 1h3a h GLU 250 Ca 0.35 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1h3a h GLU 250 Cb 0.79 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1h3a h GLU 250 CO -0.10 0.54 -0.00 0.54 -1.00 0.00 0.00 179.01 178.98 1h3a n ARG 251 N -3.46 2.54 -2.26 2.33 1.74 -0.39 -5.01 116.66 112.14 1h3a n ARG 251 Ca 0.00 -2.94 -0.42 0.00 -0.77 0.00 0.00 57.85 53.73 1h3a n ARG 251 Cb 0.65 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1h3a n ARG 251 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1h3a s GLN 252 N -2.96 4.32 0.83 5.56 0.74 -0.81 -4.63 119.66 122.71 1h3a s GLN 252 Ca 0.43 1.93 -0.13 0.00 0.05 0.00 0.00 55.36 57.64 1h3a s GLN 252 Cb 0.36 -3.45 0.08 0.00 1.10 0.00 0.00 33.01 31.10 1h3a s GLN 252 CO 0.06 -0.47 1.07 0.00 -0.55 0.00 0.00 175.29 175.39 1h3a n ALA 253 N 4.75 -0.52 -0.04 1.58 0.00 0.04 -4.89 120.51 121.42 1h3a n ALA 253 Ca 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 1h3a n ALA 253 Cb 0.44 -2.17 0.28 0.00 0.00 0.00 0.00 19.45 18.00 1h3a n ALA 253 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1h3a h GLY 254 N -1.09 0.67 1.27 0.00 0.00 -1.87 -1.59 103.07 100.45 1h3a h GLY 254 Ca -0.45 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1h3a h GLY 254 CO 0.44 0.35 0.00 2.09 0.00 0.00 0.00 176.54 179.42 1h3a n ASP 255 N -4.30 0.00 0.00 0.19 5.68 -1.26 -4.85 116.55 112.01 1h3a n ASP 255 Ca 0.02 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 1h3a n ASP 255 Cb 0.22 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1h3a n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3a n GLY 256 N 0.76 0.39 0.00 6.12 0.00 -0.60 -4.36 105.19 107.50 1h3a n GLY 256 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1h3a n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h3a n SER 257 N 0.00 0.00 -3.39 1.61 3.41 -1.26 -3.84 113.62 110.15 1h3a n SER 257 Ca 0.00 -0.28 -0.18 0.00 -0.26 0.00 0.00 58.87 58.15 1h3a n SER 257 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1h3a n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1h3a s TRP 258 N 0.46 -0.31 0.00 7.33 0.51 -1.26 -0.78 118.94 124.88 1h3a s TRP 258 Ca 0.00 -0.52 0.00 0.00 -2.12 0.00 0.00 56.10 53.46 1h3a s TRP 258 Cb 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 33.47 32.18 1h3a s TRP 258 CO 0.00 -0.93 0.00 0.41 -0.51 0.00 0.00 176.95 175.92 1h3a n GLY 259 N 4.84 1.44 2.37 0.98 0.00 -1.26 -3.89 105.19 109.66 1h3a n GLY 259 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1h3a n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3a n GLY 260 N -2.00 1.11 3.83 -0.02 0.00 -1.26 -5.03 105.19 101.82 1h3a n GLY 260 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1h3a n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h3a s ILE 261 N -3.47 3.56 0.01 -0.61 -4.36 -1.25 -4.49 121.20 110.59 1h3a s ILE 261 Ca 0.00 -1.44 -0.22 0.00 -0.26 0.00 0.00 60.65 58.74 1h3a s ILE 261 Cb 0.00 -3.17 -0.18 0.00 1.25 0.00 0.00 42.46 40.36 1h3a s ILE 261 CO 0.00 -0.20 1.22 -0.61 0.24 0.00 0.00 174.94 175.59 1h3a h GLN 262 N 1.34 0.30 0.00 0.37 -0.00 -1.76 -3.31 115.11 112.04 1h3a h GLN 262 Ca -0.45 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 57.99 1h3a h GLN 262 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.77 1h3a h GLN 262 CO 0.59 0.82 0.00 -2.30 0.00 0.00 0.00 178.83 177.95 1h3a n PRO 263 N -4.51 0.00 -0.12 -2.39 -0.02 -1.26 -1.09 135.00 125.60 1h3a n PRO 263 Ca -0.08 0.69 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 1h3a n PRO 263 Cb 0.43 -1.34 0.42 0.00 -0.02 0.00 0.00 33.50 33.00 1h3a n PRO 263 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h3a h PRO 264 N 0.00 0.58 0.31 0.52 0.13 -1.83 -2.12 132.00 129.58 1h3a h PRO 264 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1h3a h PRO 264 Cb 0.00 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 30.97 1h3a h PRO 264 CO 0.00 0.38 -0.37 2.35 -0.23 0.00 0.00 178.00 180.13 1h3a h TRP 265 N 0.59 -1.02 -0.09 1.56 2.91 -1.57 0.47 115.95 118.80 1h3a h TRP 265 Ca 0.28 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.33 1h3a h TRP 265 Cb 0.35 0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 29.39 1h3a h TRP 265 CO -0.00 -0.51 0.01 0.74 -1.03 0.00 0.00 178.44 177.65 1h3a h PHE 266 N -0.73 0.01 -0.26 2.65 -1.00 -0.71 -2.12 116.94 114.79 1h3a h PHE 266 Ca -0.01 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1h3a h PHE 266 Cb 0.68 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1h3a h PHE 266 CO -0.24 -0.00 -0.11 1.88 -1.61 0.00 0.00 178.31 178.23 1h3a h TYR 267 N 0.04 0.45 -0.29 -0.55 0.05 -1.25 -2.12 116.97 113.30 1h3a h TYR 267 Ca 0.04 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1h3a h TYR 267 Cb 0.04 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1h3a h TYR 267 CO -0.12 0.53 0.14 0.00 -1.05 0.00 0.00 178.16 177.66 1h3a h ALA 268 N 1.49 0.38 -0.55 3.88 0.00 0.29 0.29 119.26 125.04 1h3a h ALA 268 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h3a h ALA 268 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1h3a h ALA 268 CO 0.02 -0.06 0.34 -0.07 0.00 0.00 0.00 179.25 179.49 1h3a h LEU 269 N 0.33 0.66 -0.61 0.00 3.38 -1.12 -1.24 115.31 116.71 1h3a h LEU 269 Ca 0.10 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1h3a h LEU 269 Cb 0.13 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1h3a h LEU 269 CO -0.01 0.51 0.38 0.40 0.09 0.00 0.00 178.44 179.81 1h3a h ILE 270 N 0.75 1.10 -0.64 1.22 2.04 -1.07 -0.61 117.51 120.30 1h3a h ILE 270 Ca 0.20 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1h3a h ILE 270 Cb -0.03 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1h3a h ILE 270 CO -0.04 0.14 0.40 0.00 0.00 0.00 0.00 178.15 178.65 1h3a h ALA 271 N 1.25 0.83 -0.34 1.87 0.00 -0.38 -1.25 119.26 121.24 1h3a h ALA 271 Ca 0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1h3a h ALA 271 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1h3a h ALA 271 CO -0.09 0.15 -0.05 -0.07 0.00 0.00 0.00 179.25 179.19 1h3a h LEU 272 N 0.78 0.53 -0.85 0.00 3.38 -0.60 -2.42 115.31 116.13 1h3a h LEU 272 Ca 0.26 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1h3a h LEU 272 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1h3a h LEU 272 CO -0.11 0.64 -0.16 0.50 0.09 0.00 0.00 178.44 179.41 1h3a h LYS 273 N 0.53 0.68 0.00 1.13 1.63 -0.26 -1.74 116.57 118.53 1h3a h LYS 273 Ca 0.11 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1h3a h LYS 273 Cb 0.42 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1h3a h LYS 273 CO 0.02 0.80 0.00 0.82 -3.45 0.00 0.00 179.45 177.64 1h3a h ILE 274 N 0.61 0.00 -0.57 2.00 1.08 -0.78 -2.59 117.51 117.26 1h3a h ILE 274 Ca 0.10 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1h3a h ILE 274 Cb 0.62 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1h3a h ILE 274 CO 0.04 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.68 1h3a n LEU 275 N -3.05 5.07 -3.90 1.44 4.77 -0.84 -4.95 117.00 115.52 1h3a n LEU 275 Ca 0.01 -2.71 -0.26 0.00 -0.03 0.00 0.00 56.01 53.01 1h3a n LEU 275 Cb 0.30 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1h3a n LEU 275 CO 0.27 0.72 -0.13 0.47 -1.33 0.00 0.00 177.39 177.38 1h3a n ASP 276 N 0.71 -1.27 -1.26 -1.43 8.00 -0.98 -4.89 116.55 115.44 1h3a n ASP 276 Ca 0.26 -0.93 -0.08 0.00 0.71 0.00 0.00 54.79 54.75 1h3a n ASP 276 Cb 1.02 -3.39 0.13 0.00 -0.02 0.00 0.00 41.12 38.86 1h3a n ASP 276 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1h3a n MET 277 N -4.39 2.43 0.30 -1.24 2.81 -0.71 -4.72 117.12 111.59 1h3a n MET 277 Ca -0.24 -3.63 0.19 0.00 -1.81 0.00 0.00 57.70 52.21 1h3a n MET 277 Cb 0.65 -1.91 0.85 0.00 -0.71 0.00 0.00 33.22 32.09 1h3a n MET 277 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1h3a h THR 278 N 1.46 0.03 -0.66 2.03 1.35 -1.90 -2.20 112.91 113.03 1h3a h THR 278 Ca 0.18 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1h3a h THR 278 Cb 1.27 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1h3a h THR 278 CO 0.38 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.65 1h3a n GLN 279 N -3.11 2.96 -3.24 4.72 6.02 -1.26 -4.46 117.38 119.01 1h3a n GLN 279 Ca -0.01 -2.63 -0.39 0.00 -0.01 0.00 0.00 57.00 53.97 1h3a n GLN 279 Cb 0.23 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 1h3a n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1h3a s HIS 280 N -1.20 3.80 0.27 1.08 2.46 -0.83 -4.95 115.29 115.92 1h3a s HIS 280 Ca 0.46 1.29 -0.03 0.00 0.47 0.00 0.00 55.06 57.25 1h3a s HIS 280 Cb 0.25 -2.53 0.56 0.00 -0.13 0.00 0.00 32.58 30.73 1h3a s HIS 280 CO 0.29 0.55 1.62 -1.35 -2.47 0.00 0.00 174.74 173.38 1h3a h PRO 281 N 4.67 0.10 -0.56 2.88 0.11 -1.92 -0.39 132.00 136.89 1h3a h PRO 281 Ca -0.49 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1h3a h PRO 281 Cb 1.21 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1h3a h PRO 281 CO 0.64 0.07 0.10 0.00 -0.21 0.00 0.00 178.00 178.60 1h3a h ALA 282 N 1.78 0.64 0.25 -0.75 0.00 -1.93 0.45 119.26 119.70 1h3a h ALA 282 Ca 0.48 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1h3a h ALA 282 Cb 0.91 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1h3a h ALA 282 CO -0.72 -0.32 -0.12 0.35 0.00 0.00 0.00 179.25 178.44 1h3a h PHE 283 N 0.23 -0.31 -0.32 0.00 3.04 -1.34 0.77 116.94 119.00 1h3a h PHE 283 Ca 0.29 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.29 1h3a h PHE 283 Cb 0.43 0.10 -0.08 0.00 2.56 0.00 0.00 35.95 38.96 1h3a h PHE 283 CO -0.26 -0.01 -0.44 0.82 -2.02 0.00 0.00 178.31 176.40 1h3a h ILE 284 N -0.62 0.10 -0.46 1.41 1.08 -0.85 0.99 117.51 119.16 1h3a h ILE 284 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1h3a h ILE 284 Cb 0.44 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 1h3a h ILE 284 CO 0.06 0.00 0.29 0.50 -0.69 0.00 0.00 178.15 178.31 1h3a h LYS 285 N -0.39 0.62 -0.06 2.37 1.63 -0.95 -2.20 116.57 117.59 1h3a h LYS 285 Ca 0.11 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1h3a h LYS 285 Cb 0.60 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1h3a h LYS 285 CO -0.52 0.43 0.04 0.78 -3.45 0.00 0.00 179.45 176.73 1h3a h GLY 286 N 0.62 0.00 0.00 5.01 0.00 0.17 -2.13 103.07 106.74 1h3a h GLY 286 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1h3a h GLY 286 CO -0.03 0.00 -0.10 -0.25 0.00 0.00 0.00 176.54 176.16 1h3a h TRP 287 N 0.00 0.00 0.00 5.60 2.91 -0.39 -3.33 115.95 120.73 1h3a h TRP 287 Ca 0.03 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1h3a h TRP 287 Cb 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1h3a h TRP 287 CO 0.00 0.53 0.00 -0.85 -1.03 0.00 0.00 178.44 177.09 1h3a n GLU 288 N -4.68 0.03 0.15 2.65 0.28 -0.87 -1.88 120.64 116.32 1h3a n GLU 288 Ca -0.07 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.47 1h3a n GLU 288 Cb 0.27 -1.57 0.34 0.00 1.43 0.00 0.00 31.44 31.90 1h3a n GLU 288 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1h3a h GLY 289 N 1.11 0.00 1.01 -1.84 0.00 -1.49 -3.31 103.07 98.54 1h3a h GLY 289 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h3a h GLY 289 CO 0.00 0.00 0.49 1.41 0.00 0.00 0.00 176.54 178.44 1h3a h LEU 290 N 0.00 0.90 -1.88 3.11 3.38 -1.54 -2.77 115.31 116.51 1h3a h LEU 290 Ca 0.00 -0.04 0.32 0.00 0.09 0.00 0.00 57.88 58.25 1h3a h LEU 290 Cb 0.81 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1h3a h LEU 290 CO 0.00 0.67 0.80 -0.33 0.09 0.00 0.00 178.44 179.67 1h3a h GLU 291 N 1.05 0.07 -0.28 1.13 4.39 -1.78 1.00 114.58 120.14 1h3a h GLU 291 Ca 0.28 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 1h3a h GLU 291 Cb -0.09 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1h3a h GLU 291 CO -0.06 0.04 -0.06 1.25 -1.16 0.00 0.00 179.01 179.03 1h3a h LEU 292 N 0.07 0.42 0.00 1.33 5.85 -1.74 -2.45 115.31 118.79 1h3a h LEU 292 Ca 0.55 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1h3a h LEU 292 Cb 2.07 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1h3a h LEU 292 CO -0.06 0.53 -0.44 -1.22 -0.34 0.00 0.00 178.44 176.92 1h3a n TYR 293 N -4.26 0.16 -2.27 1.25 4.02 0.32 -4.90 117.16 111.48 1h3a n TYR 293 Ca 0.01 0.05 -0.33 0.00 -0.01 0.00 0.00 57.90 57.62 1h3a n TYR 293 Cb 0.26 -0.41 -0.01 0.00 -0.02 0.00 0.00 39.34 39.16 1h3a n TYR 293 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1h3a s GLY 294 N -3.18 2.21 -0.02 2.72 0.00 -0.93 -1.96 107.32 106.16 1h3a s GLY 294 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1h3a s GLY 294 CO 0.67 0.70 0.01 0.14 0.00 0.00 0.00 173.10 174.62 1h3a s VAL 295 N -2.38 0.06 -0.23 1.40 1.01 -0.14 -4.94 120.40 115.18 1h3a s VAL 295 Ca 0.63 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 1h3a s VAL 295 Cb -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1h3a s VAL 295 CO 0.31 0.09 0.76 -1.61 0.00 0.00 0.00 175.10 174.65 1h3a s GLU 296 N 0.74 4.19 -0.05 2.72 0.41 -1.26 -2.17 118.70 123.27 1h3a s GLU 296 Ca -0.07 0.83 -0.18 0.00 -0.41 0.00 0.00 54.97 55.14 1h3a s GLU 296 Cb -0.10 -3.62 -0.05 0.00 -1.78 0.00 0.00 34.13 28.58 1h3a s GLU 296 CO -0.02 -0.42 0.50 -0.51 -0.49 0.00 0.00 175.26 174.32 1h3a s LEU 297 N 2.52 4.38 0.54 1.80 1.43 0.11 -4.97 118.68 124.49 1h3a s LEU 297 Ca 0.33 0.98 0.32 0.00 -1.03 0.00 0.00 54.13 54.72 1h3a s LEU 297 Cb -0.16 -2.75 1.49 0.00 0.03 0.00 0.00 46.19 44.80 1h3a s LEU 297 CO 0.09 0.12 1.88 -2.24 0.23 0.00 0.00 176.35 176.42 1h3a h ASP 298 N 5.83 0.00 -0.22 2.29 3.04 -1.97 0.71 116.42 126.11 1h3a h ASP 298 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1h3a h ASP 298 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 1h3a h ASP 298 CO 0.70 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.90 1h3a n TYR 299 N -4.22 0.76 -0.71 4.15 0.18 -1.26 -4.83 117.16 111.23 1h3a n TYR 299 Ca 0.19 -0.27 0.00 0.00 1.88 0.00 0.00 57.90 59.70 1h3a n TYR 299 Cb 0.98 -0.24 0.00 0.00 -0.38 0.00 0.00 39.34 39.70 1h3a n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h3a n GLY 300 N 0.29 0.70 3.98 -7.48 0.00 0.23 -5.02 105.19 97.88 1h3a n GLY 300 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1h3a n GLY 300 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3a s GLY 301 N -1.93 1.80 -0.08 -0.02 0.00 -1.13 -4.29 107.32 101.68 1h3a s GLY 301 Ca 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 44.72 43.26 1h3a s GLY 301 CO 0.00 -1.04 0.21 0.86 0.00 0.00 0.00 173.10 173.12 1h3a s TRP 302 N -2.88 -0.25 0.16 1.90 -0.00 -0.45 0.09 118.94 117.51 1h3a s TRP 302 Ca 0.60 0.62 0.03 0.00 -0.00 0.00 0.00 56.10 57.35 1h3a s TRP 302 Cb -0.09 0.04 -0.05 0.00 -0.00 0.00 0.00 33.47 33.37 1h3a s TRP 302 CO 0.40 -0.16 -0.06 0.00 -0.00 0.00 0.00 176.95 177.13 1h3a s MET 303 N 0.71 1.08 -0.24 5.86 0.23 -0.92 -4.52 119.30 121.50 1h3a s MET 303 Ca -0.05 -1.49 0.02 0.00 -1.03 0.00 0.00 55.69 53.14 1h3a s MET 303 Cb -0.06 -0.48 0.05 0.00 -1.53 0.00 0.00 34.83 32.81 1h3a s MET 303 CO -0.04 -0.01 -0.10 0.12 -2.03 0.00 0.00 175.02 172.95 1h3a s PHE 304 N -3.46 2.91 0.18 3.16 2.19 -1.26 -0.97 117.98 120.73 1h3a s PHE 304 Ca 0.19 -2.04 -0.32 0.00 0.33 0.00 0.00 56.93 55.10 1h3a s PHE 304 Cb 0.04 -1.81 -0.11 0.00 -1.31 0.00 0.00 43.02 39.84 1h3a s PHE 304 CO 0.02 -0.83 1.62 -0.65 1.83 0.00 0.00 175.22 177.20 1h3a s GLN 305 N 1.23 4.18 0.65 10.12 -0.21 -0.83 -4.72 119.66 130.08 1h3a s GLN 305 Ca -0.06 2.45 0.41 0.00 0.02 0.00 0.00 55.36 58.18 1h3a s GLN 305 Cb -0.19 -3.12 2.29 0.00 1.00 0.00 0.00 33.01 32.99 1h3a s GLN 305 CO -0.06 -0.65 2.35 0.00 -2.12 0.00 0.00 175.29 174.80 1h3a h ALA 306 N 6.72 1.14 -1.62 6.09 0.00 -1.91 -3.45 119.26 126.22 1h3a h ALA 306 Ca -0.43 -0.00 0.31 0.00 0.00 0.00 0.00 54.91 54.79 1h3a h ALA 306 Cb 1.20 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1h3a h ALA 306 CO 0.92 -0.00 0.79 0.45 0.00 0.00 0.00 179.25 181.41 1h3a s SER 307 N -5.41 -0.06 0.02 0.00 0.15 -1.26 -2.28 113.70 104.86 1h3a s SER 307 Ca -0.05 -0.18 0.08 0.00 0.70 0.00 0.00 55.95 56.49 1h3a s SER 307 Cb 0.14 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1h3a s SER 307 CO 0.44 -0.38 -0.23 0.27 1.20 0.00 0.00 173.24 174.54 1h3a s ILE 308 N -2.48 1.83 -0.56 6.45 -4.36 -1.26 -4.53 121.20 116.29 1h3a s ILE 308 Ca 0.15 -1.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.40 1h3a s ILE 308 Cb 0.04 -1.56 0.39 0.00 1.25 0.00 0.00 42.46 42.58 1h3a s ILE 308 CO -0.03 0.35 1.32 -1.54 0.24 0.00 0.00 174.94 175.28 1h3a n SER 309 N 2.05 5.40 0.25 4.36 3.41 -1.26 -3.79 113.62 124.03 1h3a n SER 309 Ca -0.17 -3.74 -0.16 0.00 -0.26 0.00 0.00 58.87 54.55 1h3a n SER 309 Cb 0.53 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 1h3a n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1h3a h PRO 310 N 2.75 -0.58 -0.13 4.33 0.13 -1.79 -0.93 132.00 135.79 1h3a h PRO 310 Ca 0.35 0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1h3a h PRO 310 Cb 0.67 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1h3a h PRO 310 CO 0.99 -0.34 0.07 0.28 -0.23 0.00 0.00 178.00 178.77 1h3a h VAL 311 N -0.68 1.08 -0.26 1.56 2.07 -1.77 -1.75 116.25 116.50 1h3a h VAL 311 Ca -0.06 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1h3a h VAL 311 Cb 0.50 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1h3a h VAL 311 CO 0.10 0.07 -0.00 -0.25 0.02 0.00 0.00 177.57 177.51 1h3a h TRP 312 N 0.13 -0.02 -0.04 1.57 2.91 -1.59 0.40 115.95 119.31 1h3a h TRP 312 Ca 0.05 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1h3a h TRP 312 Cb 0.05 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1h3a h TRP 312 CO -0.05 -0.04 0.03 -0.44 -1.03 0.00 0.00 178.44 176.90 1h3a h ASP 313 N 0.08 0.05 -0.43 2.65 3.32 -1.08 -2.18 116.42 118.82 1h3a h ASP 313 Ca 0.12 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1h3a h ASP 313 Cb 0.16 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 1h3a h ASP 313 CO -0.21 0.05 0.06 0.74 -1.72 0.00 0.00 179.24 178.17 1h3a h THR 314 N 0.04 0.74 0.51 0.35 2.02 -0.98 0.48 112.91 116.08 1h3a h THR 314 Ca 0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1h3a h THR 314 Cb 0.01 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1h3a h THR 314 CO -0.00 0.03 -0.51 1.23 0.37 0.00 0.00 175.52 176.64 1h3a h GLY 315 N 0.18 -1.28 0.79 2.16 0.00 -0.65 -1.85 103.07 102.43 1h3a h GLY 315 Ca 0.21 0.60 0.03 0.00 0.00 0.00 0.00 47.33 48.17 1h3a h GLY 315 CO -0.30 -0.38 0.10 1.41 0.00 0.00 0.00 176.54 177.38 1h3a h LEU 316 N -1.02 0.13 -0.66 3.11 3.38 -1.23 -2.71 115.31 116.30 1h3a h LEU 316 Ca -0.06 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.07 1h3a h LEU 316 Cb 0.89 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1h3a h LEU 316 CO -0.06 0.11 0.10 0.00 0.09 0.00 0.00 178.44 178.68 1h3a h ALA 317 N 1.17 0.77 0.24 1.53 0.00 -0.79 0.73 119.26 122.91 1h3a h ALA 317 Ca 0.12 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1h3a h ALA 317 Cb 0.08 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1h3a h ALA 317 CO -0.12 -0.35 -0.14 0.28 0.00 0.00 0.00 179.25 178.93 1h3a h VAL 318 N 0.21 0.71 -0.99 0.00 2.07 -1.04 -1.00 116.25 116.22 1h3a h VAL 318 Ca 0.36 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.98 1h3a h VAL 318 Cb 0.59 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1h3a h VAL 318 CO -0.49 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 177.66 1h3a h LEU 319 N -0.36 0.95 0.32 2.57 3.38 -1.03 0.40 115.31 121.54 1h3a h LEU 319 Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1h3a h LEU 319 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1h3a h LEU 319 CO 0.03 0.54 -0.16 0.00 0.09 0.00 0.00 178.44 178.95 1h3a h ALA 320 N 1.52 -0.44 -0.91 1.53 0.00 -0.50 -0.73 119.26 119.74 1h3a h ALA 320 Ca 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1h3a h ALA 320 Cb 0.38 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1h3a h ALA 320 CO -0.22 -0.66 0.58 -0.07 0.00 0.00 0.00 179.25 178.87 1h3a h LEU 321 N -0.60 1.06 0.27 0.00 3.38 -0.77 -0.63 115.31 118.03 1h3a h LEU 321 Ca -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1h3a h LEU 321 Cb 0.43 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1h3a h LEU 321 CO 0.07 0.79 -0.13 0.03 0.09 0.00 0.00 178.44 179.29 1h3a h ARG 322 N 1.24 -0.35 0.00 1.13 2.47 -0.83 -1.92 114.38 116.12 1h3a h ARG 322 Ca 0.33 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1h3a h ARG 322 Cb -0.11 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1h3a h ARG 322 CO -0.07 -0.10 0.00 0.00 0.56 0.00 0.00 179.97 180.37 1h3a h ALA 323 N 0.10 1.00 0.12 0.04 0.00 -0.95 -2.67 119.26 116.91 1h3a h ALA 323 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1h3a h ALA 323 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1h3a h ALA 323 CO 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.25 1h3a h ALA 324 N 2.04 -0.16 0.00 0.00 0.00 -0.43 -3.37 119.26 117.34 1h3a h ALA 324 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1h3a h ALA 324 Cb 0.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h3a h ALA 324 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.44 1h3a n GLY 325 N 0.87 0.28 3.59 0.00 0.00 -0.79 -4.87 105.19 104.27 1h3a n GLY 325 Ca -0.07 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.48 1h3a n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h3a n LEU 326 N 0.00 1.72 -4.47 0.99 4.77 -1.14 -4.90 117.00 113.97 1h3a n LEU 326 Ca 0.00 1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 56.78 1h3a n LEU 326 Cb 0.00 -1.26 0.08 0.00 -2.33 0.00 0.00 43.42 39.91 1h3a n LEU 326 CO 0.00 -1.31 0.07 -2.65 -1.33 0.00 0.00 177.39 172.16 1h3a n PRO 327 N 1.30 0.20 0.11 3.23 -0.02 -1.26 -4.63 135.00 133.92 1h3a n PRO 327 Ca 0.12 0.11 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 1h3a n PRO 327 Cb 0.28 -1.86 0.46 0.00 -0.02 0.00 0.00 33.50 32.36 1h3a n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h3a n ALA 328 N -2.64 1.66 -1.18 3.55 0.00 -1.26 -2.51 120.51 118.13 1h3a n ALA 328 Ca 0.10 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1h3a n ALA 328 Cb 0.51 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.76 1h3a n ALA 328 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h3a n ASP 329 N -2.10 2.28 -4.70 0.00 5.68 -1.26 -0.15 116.55 116.29 1h3a n ASP 329 Ca 0.02 -3.26 -0.54 0.00 -0.50 0.00 0.00 54.79 50.51 1h3a n ASP 329 Cb 0.22 -0.46 -0.06 0.00 -1.14 0.00 0.00 41.12 39.68 1h3a n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1h3a n HIS 330 N -1.34 2.17 -0.34 2.11 -0.00 -1.04 -4.77 115.22 112.01 1h3a n HIS 330 Ca 0.17 0.31 0.35 0.00 0.46 0.00 0.00 57.72 59.01 1h3a n HIS 330 Cb 0.67 -2.54 0.74 0.00 -0.12 0.00 0.00 29.99 28.73 1h3a n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1h3a h ASP 331 N 8.01 0.04 0.81 0.26 2.03 -1.96 0.46 116.42 126.06 1h3a h ASP 331 Ca -0.47 0.01 -0.22 0.00 -0.73 0.00 0.00 57.03 55.61 1h3a h ASP 331 Cb 1.30 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.79 1h3a h ASP 331 CO 0.95 0.00 -1.04 -0.09 -1.03 0.00 0.00 179.24 178.04 1h3a h ARG 332 N 0.03 0.11 0.00 4.15 9.65 -1.99 -3.20 114.38 123.13 1h3a h ARG 332 Ca 0.59 -0.18 -0.11 0.00 -1.10 0.00 0.00 59.98 59.18 1h3a h ARG 332 Cb 2.28 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 30.90 1h3a h ARG 332 CO -0.03 1.05 -0.53 -0.07 2.80 0.00 0.00 179.97 183.18 1h3a h LEU 333 N 0.04 0.00 -1.04 3.80 3.38 -0.54 -3.17 115.31 117.79 1h3a h LEU 333 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1h3a h LEU 333 Cb 1.76 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 1h3a h LEU 333 CO 0.15 0.53 0.22 0.58 0.09 0.00 0.00 178.44 180.01 1h3a h VAL 334 N 0.00 1.22 -0.83 1.22 2.07 -0.94 -1.40 116.25 117.60 1h3a h VAL 334 Ca -0.01 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 66.90 1h3a h VAL 334 Cb 1.31 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1h3a h VAL 334 CO 0.07 0.29 0.54 0.11 0.02 0.00 0.00 177.57 178.60 1h3a h LYS 335 N 0.89 0.64 0.04 1.57 1.79 -1.57 0.39 116.57 120.32 1h3a h LYS 335 Ca 0.21 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1h3a h LYS 335 Cb 0.21 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1h3a h LYS 335 CO -0.01 0.43 -0.02 0.00 -1.08 0.00 0.00 179.45 178.76 1h3a h ALA 336 N 1.61 -0.05 -0.61 3.86 0.00 -1.17 -2.38 119.26 120.52 1h3a h ALA 336 Ca 0.40 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1h3a h ALA 336 Cb 0.62 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1h3a h ALA 336 CO -0.16 -0.17 0.07 0.78 0.00 0.00 0.00 179.25 179.77 1h3a h GLY 337 N -0.76 0.72 0.93 0.00 0.00 -0.56 0.24 103.07 103.64 1h3a h GLY 337 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1h3a h GLY 337 CO 0.01 -0.16 0.13 0.83 0.00 0.00 0.00 176.54 177.35 1h3a h GLU 338 N 0.19 0.43 -0.16 4.80 4.39 -1.03 -2.52 114.58 120.68 1h3a h GLU 338 Ca 0.32 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.97 1h3a h GLU 338 Cb 0.51 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1h3a h GLU 338 CO -0.46 0.42 0.02 2.35 -1.16 0.00 0.00 179.01 180.18 1h3a h TRP 339 N 0.34 0.03 -0.83 4.33 7.01 -0.65 -2.76 115.95 123.42 1h3a h TRP 339 Ca 0.10 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.18 1h3a h TRP 339 Cb 0.14 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.14 1h3a h TRP 339 CO -0.01 0.01 0.50 -0.07 -2.79 0.00 0.00 178.44 176.07 1h3a h LEU 340 N 0.08 0.76 -1.58 0.65 3.38 -0.48 -1.85 115.31 116.27 1h3a h LEU 340 Ca 0.07 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1h3a h LEU 340 Cb 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1h3a h LEU 340 CO -0.10 0.47 0.37 -0.07 0.09 0.00 0.00 178.44 179.20 1h3a h LEU 341 N 0.89 0.45 0.00 1.67 3.38 -1.15 0.52 115.31 121.06 1h3a h LEU 341 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1h3a h LEU 341 Cb 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1h3a h LEU 341 CO -0.20 0.29 0.00 0.47 0.09 0.00 0.00 178.44 179.09 1h3a n ASP 342 N -4.47 0.00 0.04 -0.43 8.00 -0.71 -3.26 116.55 115.72 1h3a n ASP 342 Ca 0.08 0.30 0.02 0.00 0.71 0.00 0.00 54.79 55.90 1h3a n ASP 342 Cb 0.25 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 1h3a n ASP 342 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1h3a n ARG 343 N -1.43 0.62 -1.62 -1.24 5.12 0.16 -4.94 116.66 113.33 1h3a n ARG 343 Ca 0.09 0.18 -0.49 0.00 -1.93 0.00 0.00 57.85 55.70 1h3a n ARG 343 Cb 0.29 -1.79 -0.05 0.00 -1.16 0.00 0.00 32.46 29.75 1h3a n ARG 343 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1h3a n GLN 344 N -2.81 1.54 -3.07 5.56 7.27 -1.13 -4.66 117.38 120.08 1h3a n GLN 344 Ca -0.09 0.55 -0.38 0.00 0.07 0.00 0.00 57.00 57.15 1h3a n GLN 344 Cb 0.79 -2.21 -0.06 0.00 2.41 0.00 0.00 30.24 31.17 1h3a n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1h3a s ILE 345 N 0.42 4.49 -0.07 1.69 -1.09 -0.62 -4.98 121.20 121.05 1h3a s ILE 345 Ca 0.79 1.50 0.11 0.00 -2.23 0.00 0.00 60.65 60.83 1h3a s ILE 345 Cb -0.82 -4.02 0.20 0.00 -1.58 0.00 0.00 42.46 36.23 1h3a s ILE 345 CO 0.45 0.46 1.10 0.35 -1.23 0.00 0.00 174.94 176.07 1h3a n THR 346 N 1.42 0.93 -4.59 2.92 -2.24 -1.26 -2.90 114.28 108.56 1h3a n THR 346 Ca -0.06 -1.29 -0.22 0.00 -2.27 0.00 0.00 64.05 60.21 1h3a n THR 346 Cb 0.50 0.20 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 1h3a n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1h3a s VAL 347 N -1.41 1.19 0.32 2.28 -7.23 -1.26 -4.80 120.40 109.48 1h3a s VAL 347 Ca 0.20 -0.77 -0.28 0.00 -1.81 0.00 0.00 61.98 59.31 1h3a s VAL 347 Cb 0.19 -1.02 -0.13 0.00 0.56 0.00 0.00 36.38 35.98 1h3a s VAL 347 CO -0.01 0.23 1.27 -2.65 -0.31 0.00 0.00 175.10 173.63 1h3a n PRO 348 N 2.43 2.01 -2.12 4.82 -0.02 -1.26 -4.85 135.00 136.01 1h3a n PRO 348 Ca -0.15 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1h3a n PRO 348 Cb 0.55 -2.27 -0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1h3a n PRO 348 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3a n GLY 349 N 1.04 4.17 0.22 -1.23 0.00 -1.26 -4.85 105.19 103.28 1h3a n GLY 349 Ca 0.06 -2.20 0.15 0.00 0.00 0.00 0.00 46.02 44.03 1h3a n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h3a h ASP 350 N 0.05 0.00 0.74 1.61 3.32 -1.94 0.03 116.42 120.23 1h3a h ASP 350 Ca -0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1h3a h ASP 350 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1h3a h ASP 350 CO 0.03 0.00 -0.32 4.11 -1.72 0.00 0.00 179.24 181.34 1h3a h TRP 351 N 0.00 0.00 0.00 4.55 5.08 -1.85 -2.82 115.95 120.90 1h3a h TRP 351 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1h3a h TRP 351 Cb 0.03 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.19 1h3a h TRP 351 CO 0.00 0.32 -0.03 0.00 -1.28 0.00 0.00 178.44 177.45 1h3a h ALA 352 N 1.68 1.27 -0.10 0.11 0.00 -1.22 -1.92 119.26 119.09 1h3a h ALA 352 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1h3a h ALA 352 Cb 0.77 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1h3a h ALA 352 CO 0.04 0.03 0.10 0.28 0.00 0.00 0.00 179.25 179.70 1h3a h VAL 353 N 0.00 0.60 0.00 0.00 2.07 -1.66 -1.06 116.25 116.20 1h3a h VAL 353 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1h3a h VAL 353 Cb 0.10 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1h3a h VAL 353 CO 0.00 0.00 -1.21 0.29 0.02 0.00 0.00 177.57 176.67 1h3a n LYS 354 N -3.98 1.33 -3.20 1.57 4.76 -0.75 -4.74 118.16 113.14 1h3a n LYS 354 Ca -0.01 -0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.12 1h3a n LYS 354 Cb 0.20 -1.24 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 1h3a n LYS 354 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h3a n ARG 355 N -1.70 0.79 -0.20 1.97 5.12 -0.73 -4.98 116.66 116.93 1h3a n ARG 355 Ca -0.00 -3.29 0.02 0.00 -1.93 0.00 0.00 57.85 52.65 1h3a n ARG 355 Cb 0.29 -1.27 0.27 0.00 -1.16 0.00 0.00 32.46 30.60 1h3a n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1h3a h PRO 356 N 3.99 0.92 -0.84 5.56 0.11 -1.52 -2.52 132.00 137.69 1h3a h PRO 356 Ca 0.08 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 1h3a h PRO 356 Cb 0.87 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1h3a h PRO 356 CO 0.48 0.61 0.05 0.09 -0.21 0.00 0.00 178.00 179.02 1h3a n ASN 357 N -4.44 3.19 -4.61 -2.05 5.03 -1.26 -4.86 115.26 106.26 1h3a n ASN 357 Ca 0.08 -2.47 -0.35 0.00 0.87 0.00 0.00 54.58 52.71 1h3a n ASN 357 Cb 0.07 -0.60 -0.10 0.00 -1.02 0.00 0.00 39.78 38.13 1h3a n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h3a s LEU 358 N -1.29 3.80 0.00 3.41 2.96 -0.95 -5.08 118.68 121.53 1h3a s LEU 358 Ca 0.25 0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 1h3a s LEU 358 Cb 0.19 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1h3a s LEU 358 CO 0.07 0.13 0.98 -0.54 -1.32 0.00 0.00 176.35 175.67 1h3a s LYS 359 N 0.61 4.56 0.49 1.98 -0.14 -1.26 -5.02 119.74 120.97 1h3a s LYS 359 Ca 0.04 1.43 -0.23 0.00 -1.36 0.00 0.00 55.97 55.84 1h3a s LYS 359 Cb -0.13 -3.46 -0.07 0.00 -1.68 0.00 0.00 37.83 32.49 1h3a s LYS 359 CO 0.01 -0.04 1.32 -2.30 -0.76 0.00 0.00 175.35 173.58 1h3a n PRO 360 N 3.86 1.82 0.00 -1.68 -0.02 -1.26 -4.51 135.00 133.22 1h3a n PRO 360 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1h3a n PRO 360 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1h3a n PRO 360 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3a n GLY 361 N 0.78 0.18 3.90 -1.23 0.00 -1.14 -4.77 105.19 102.91 1h3a n GLY 361 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1h3a n GLY 361 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3a s GLY 362 N 0.00 1.62 0.36 -0.02 0.00 -1.26 -3.32 107.32 104.71 1h3a s GLY 362 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.22 1h3a s GLY 362 CO 0.00 -0.20 0.14 -1.36 0.00 0.00 0.00 173.10 171.69 1h3a s PHE 363 N -3.32 2.67 0.57 1.90 0.40 -1.26 -1.58 117.98 117.35 1h3a s PHE 363 Ca 0.59 -0.44 0.09 0.00 -0.60 0.00 0.00 56.93 56.57 1h3a s PHE 363 Cb -0.11 -1.71 0.08 0.00 0.51 0.00 0.00 43.02 41.79 1h3a s PHE 363 CO 0.49 0.30 0.73 0.00 0.70 0.00 0.00 175.22 177.44 1h3a s ALA 364 N -2.47 4.68 -0.12 5.36 0.00 -1.26 -2.16 121.76 125.78 1h3a s ALA 364 Ca 0.38 -2.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 1h3a s ALA 364 Cb -0.01 -1.33 -0.26 0.00 0.00 0.00 0.00 23.12 21.52 1h3a s ALA 364 CO 0.22 -0.81 0.51 0.35 0.00 0.00 0.00 175.76 176.04 1h3a h PHE 365 N 0.26 0.35 -3.75 0.00 3.57 -1.89 -3.43 116.94 112.04 1h3a h PHE 365 Ca -0.31 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1h3a h PHE 365 Cb 1.29 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1h3a h PHE 365 CO 0.53 1.52 0.00 0.00 -2.23 0.00 0.00 178.31 178.12 1h3a n GLN 366 N -4.03 1.30 0.00 1.11 0.00 -1.25 -2.82 117.38 111.69 1h3a n GLN 366 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.75 1h3a n GLN 366 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.08 1h3a n GLN 366 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1h3a n PHE 367 N -0.86 0.00 -3.80 2.61 3.72 -1.26 -4.58 117.46 113.28 1h3a n PHE 367 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1h3a n PHE 367 Cb 0.00 -0.07 -0.12 0.00 -0.94 0.00 0.00 39.48 38.35 1h3a n PHE 367 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1h3a s ASP 368 N -2.10 5.19 -0.46 4.37 2.15 -1.26 -4.94 116.67 119.62 1h3a s ASP 368 Ca 0.00 -1.88 0.07 0.00 0.43 0.00 0.00 52.55 51.17 1h3a s ASP 368 Cb 0.00 -1.81 0.23 0.00 -0.30 0.00 0.00 42.92 41.04 1h3a s ASP 368 CO 0.00 -0.49 0.70 -3.20 -0.17 0.00 0.00 175.17 172.02 1h3a n ASN 369 N 4.60 -1.89 0.02 -0.34 5.15 -1.26 -3.72 115.26 117.82 1h3a n ASN 369 Ca -0.04 -2.98 -0.04 0.00 -0.60 0.00 0.00 54.58 50.92 1h3a n ASN 369 Cb 0.42 0.89 0.19 0.00 -0.53 0.00 0.00 39.78 40.74 1h3a n ASN 369 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1h3a h VAL 370 N 3.20 1.28 -0.00 3.44 -1.51 -1.96 -3.19 116.25 117.51 1h3a h VAL 370 Ca -0.01 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1h3a h VAL 370 Cb 0.99 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1h3a h VAL 370 CO 0.32 0.43 0.00 -1.22 -1.23 0.00 0.00 177.57 175.87 1h3a n TYR 371 N -4.09 0.00 -2.94 5.19 4.01 -1.26 -4.21 117.16 113.86 1h3a n TYR 371 Ca -0.01 -0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 1h3a n TYR 371 Cb 0.44 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.49 1h3a n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1h3a n TYR 372 N -0.77 -0.42 -2.52 -0.72 4.01 -1.21 -3.60 117.16 111.93 1h3a n TYR 372 Ca 0.14 -3.11 -0.42 0.00 -0.16 0.00 0.00 57.90 54.35 1h3a n TYR 372 Cb 0.07 0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1h3a n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h3a s PRO 373 N -1.84 4.52 0.28 -0.72 0.04 -1.26 -4.72 135.00 131.29 1h3a s PRO 373 Ca 0.32 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1h3a s PRO 373 Cb 0.37 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1h3a s PRO 373 CO -0.05 -0.10 0.46 0.16 0.04 0.00 0.00 177.00 177.51 1h3a s ASP 374 N 0.67 6.34 0.17 6.66 -4.77 -0.92 -4.73 116.67 120.10 1h3a s ASP 374 Ca 0.54 0.38 -0.01 0.00 -3.30 0.00 0.00 52.55 50.16 1h3a s ASP 374 Cb -0.27 -2.00 0.05 0.00 -1.09 0.00 0.00 42.92 39.61 1h3a s ASP 374 CO 0.31 -0.16 1.43 0.58 0.70 0.00 0.00 175.17 178.02 1h3a h VAL 375 N 1.13 1.39 0.85 2.11 2.07 -1.38 -2.92 116.25 119.49 1h3a h VAL 375 Ca -0.49 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 64.80 1h3a h VAL 375 Cb 1.21 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1h3a h VAL 375 CO 0.64 0.66 -0.46 -0.78 0.02 0.00 0.00 177.57 177.64 1h3a h ASP 376 N 0.25 -1.12 -0.07 0.57 1.82 -1.85 -0.75 116.42 115.28 1h3a h ASP 376 Ca -0.03 0.05 0.03 0.00 -0.39 0.00 0.00 57.03 56.69 1h3a h ASP 376 Cb 1.33 0.31 -0.03 0.00 0.68 0.00 0.00 39.33 41.62 1h3a h ASP 376 CO 0.13 -0.74 -0.12 0.44 -1.61 0.00 0.00 179.24 177.34 1h3a h ASP 377 N -1.21 -0.35 -0.49 2.28 3.32 -1.88 -1.95 116.42 116.14 1h3a h ASP 377 Ca -0.11 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.10 1h3a h ASP 377 Cb 0.95 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.56 1h3a h ASP 377 CO 0.16 -0.16 -0.17 0.74 -1.72 0.00 0.00 179.24 178.09 1h3a h THR 378 N -0.17 0.43 -0.28 0.35 2.02 -1.46 0.42 112.91 114.22 1h3a h THR 378 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1h3a h THR 378 Cb 0.26 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1h3a h THR 378 CO -0.16 0.00 0.09 0.00 0.37 0.00 0.00 175.52 175.81 1h3a h ALA 379 N 1.37 0.31 0.02 6.16 0.00 -0.81 -0.86 119.26 125.46 1h3a h ALA 379 Ca 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1h3a h ALA 379 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1h3a h ALA 379 CO -0.53 -0.32 -0.01 0.28 0.00 0.00 0.00 179.25 178.66 1h3a h VAL 380 N 0.20 1.14 0.20 0.00 2.07 -0.51 -1.44 116.25 117.92 1h3a h VAL 380 Ca 0.12 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1h3a h VAL 380 Cb 0.10 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1h3a h VAL 380 CO -0.14 0.13 -0.32 0.58 0.02 0.00 0.00 177.57 177.85 1h3a h VAL 381 N -0.25 0.33 -0.01 2.57 2.07 -0.07 0.39 116.25 121.26 1h3a h VAL 381 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1h3a h VAL 381 Cb 0.24 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1h3a h VAL 381 CO 0.01 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 177.98 1h3a h VAL 382 N -0.60 0.53 -0.36 2.57 2.07 -1.19 -0.14 116.25 119.13 1h3a h VAL 382 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1h3a h VAL 382 Cb 0.59 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1h3a h VAL 382 CO -0.13 0.00 0.25 -0.25 0.02 0.00 0.00 177.57 177.45 1h3a h TRP 383 N -0.31 0.20 -0.19 1.57 7.01 -1.01 0.29 115.95 123.52 1h3a h TRP 383 Ca 0.06 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.92 1h3a h TRP 383 Cb 0.39 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1h3a h TRP 383 CO -0.25 0.11 -0.51 0.00 -2.79 0.00 0.00 178.44 174.99 1h3a h ALA 384 N 1.81 0.75 -0.01 2.65 0.00 0.12 -3.06 119.26 121.53 1h3a h ALA 384 Ca 0.16 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 1h3a h ALA 384 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1h3a h ALA 384 CO -0.03 0.68 -0.82 -0.07 0.00 0.00 0.00 179.25 179.01 1h3a h LEU 385 N 0.41 0.22 0.00 0.00 3.38 0.55 -3.06 115.31 116.82 1h3a h LEU 385 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1h3a h LEU 385 Cb 1.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1h3a h LEU 385 CO 0.10 0.95 0.00 -3.20 0.09 0.00 0.00 178.44 176.37 1h3a n ASN 386 N -3.69 0.00 -0.33 -0.43 5.15 -0.07 -1.33 115.26 114.56 1h3a n ASN 386 Ca -0.03 0.11 0.04 0.00 -0.60 0.00 0.00 54.58 54.10 1h3a n ASN 386 Cb 0.77 -0.25 0.10 0.00 -0.53 0.00 0.00 39.78 39.87 1h3a n ASN 386 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1h3a n THR 387 N -1.25 1.31 -4.34 -0.44 -2.24 -1.16 -5.02 114.28 101.14 1h3a n THR 387 Ca 0.04 -1.32 -0.21 0.00 -2.27 0.00 0.00 64.05 60.30 1h3a n THR 387 Cb 0.06 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1h3a n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h3a s LEU 388 N -1.54 2.48 -0.47 3.22 1.43 -0.44 -4.67 118.68 118.69 1h3a s LEU 388 Ca 0.18 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1h3a s LEU 388 Cb 0.13 -0.79 0.12 0.00 0.03 0.00 0.00 46.19 45.68 1h3a s LEU 388 CO 0.07 -0.07 0.22 -0.13 0.23 0.00 0.00 176.35 176.67 1h3a s ARG 389 N -3.09 1.95 0.24 1.70 0.52 0.78 -4.99 118.95 116.06 1h3a s ARG 389 Ca 0.19 -2.26 -0.18 0.00 -0.52 0.00 0.00 55.73 52.95 1h3a s ARG 389 Cb -0.04 -3.41 -0.08 0.00 0.52 0.00 0.00 34.95 31.94 1h3a s ARG 389 CO 0.07 -1.07 0.71 -0.51 0.02 0.00 0.00 175.30 174.53 1h3a s LEU 390 N 0.33 4.28 0.56 2.53 1.43 -1.26 -4.61 118.68 121.94 1h3a s LEU 390 Ca 0.14 1.36 0.34 0.00 -1.03 0.00 0.00 54.13 54.93 1h3a s LEU 390 Cb -0.22 -3.66 1.49 0.00 0.03 0.00 0.00 46.19 43.82 1h3a s LEU 390 CO -0.04 -0.01 1.81 -0.65 0.23 0.00 0.00 176.35 177.69 1h3a h PRO 391 N 3.19 0.00 -3.32 1.29 0.11 -1.98 -3.14 132.00 128.14 1h3a h PRO 391 Ca -0.48 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 64.93 1h3a h PRO 391 Cb 1.19 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.94 1h3a h PRO 391 CO 0.65 0.00 -0.14 0.34 -0.21 0.00 0.00 178.00 178.64 1h3a s ASP 392 N -5.16 5.87 0.17 -2.05 2.15 -1.26 -4.89 116.67 111.50 1h3a s ASP 392 Ca -0.05 -3.67 0.10 0.00 0.43 0.00 0.00 52.55 49.37 1h3a s ASP 392 Cb 0.21 -1.89 0.56 0.00 -0.30 0.00 0.00 42.92 41.50 1h3a s ASP 392 CO 0.73 -0.19 1.28 -0.62 -0.17 0.00 0.00 175.17 176.20 1h3a n GLU 393 N 2.40 0.07 0.18 4.34 -0.58 -1.19 -2.58 120.64 123.28 1h3a n GLU 393 Ca 0.20 0.54 -0.11 0.00 -0.42 0.00 0.00 57.16 57.37 1h3a n GLU 393 Cb 0.37 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.39 1h3a n GLU 393 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1h3a h ARG 394 N 0.00 -0.49 0.00 3.49 9.65 -1.91 -1.72 114.38 123.40 1h3a h ARG 394 Ca 0.00 0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.81 1h3a h ARG 394 Cb 0.12 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1h3a h ARG 394 CO 0.00 -0.19 -0.49 -0.09 2.80 0.00 0.00 179.97 182.00 1h3a h ARG 395 N -1.00 0.00 -0.31 0.20 2.43 -1.92 -1.29 114.38 112.49 1h3a h ARG 395 Ca -0.05 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1h3a h ARG 395 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1h3a h ARG 395 CO 0.09 0.49 -0.36 -0.09 -1.51 0.00 0.00 179.97 178.58 1h3a h ARG 396 N 0.00 0.79 -0.33 0.20 2.43 -1.60 0.27 114.38 116.14 1h3a h ARG 396 Ca -0.00 -0.44 -0.12 0.00 -0.81 0.00 0.00 59.98 58.61 1h3a h ARG 396 Cb 0.97 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1h3a h ARG 396 CO 0.06 1.07 -0.27 -0.09 -1.51 0.00 0.00 179.97 179.23 1h3a h ARG 397 N 0.55 0.76 -0.26 0.20 9.65 -1.20 -2.71 114.38 121.38 1h3a h ARG 397 Ca 0.04 -0.38 -0.11 0.00 -1.10 0.00 0.00 59.98 58.43 1h3a h ARG 397 Cb 0.95 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1h3a h ARG 397 CO 0.09 1.00 -0.28 0.22 2.80 0.00 0.00 179.97 183.80 1h3a h ASP 398 N 0.54 0.69 0.22 -3.80 3.58 -1.20 -2.95 116.42 113.50 1h3a h ASP 398 Ca 0.06 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1h3a h ASP 398 Cb 0.83 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1h3a h ASP 398 CO 0.07 1.03 -0.23 0.00 -2.88 0.00 0.00 179.24 177.24 1h3a h ALA 399 N 0.68 -0.46 -0.62 -0.78 0.00 -0.48 -1.60 119.26 115.99 1h3a h ALA 399 Ca 0.04 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1h3a h ALA 399 Cb 0.85 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1h3a h ALA 399 CO 0.07 -0.79 0.18 0.52 0.00 0.00 0.00 179.25 179.23 1h3a h MET 400 N -0.48 0.31 -0.06 0.00 2.86 -1.55 -1.16 114.93 114.86 1h3a h MET 400 Ca -0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1h3a h MET 400 Cb 0.45 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1h3a h MET 400 CO -0.05 0.21 -0.10 1.15 1.06 0.00 0.00 176.91 179.18 1h3a h THR 401 N 0.32 0.73 0.24 2.22 2.02 -1.29 0.47 112.91 117.63 1h3a h THR 401 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1h3a h THR 401 Cb 0.47 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1h3a h THR 401 CO -0.38 0.00 -0.23 0.11 0.37 0.00 0.00 175.52 175.39 1h3a h LYS 402 N -0.14 -0.48 -0.87 6.66 1.57 -0.60 -0.85 116.57 121.86 1h3a h LYS 402 Ca 0.06 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1h3a h LYS 402 Cb 0.22 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1h3a h LYS 402 CO -0.14 -0.32 0.47 0.78 -0.57 0.00 0.00 179.45 179.67 1h3a h GLY 403 N -0.50 1.30 0.66 3.86 0.00 -1.09 -1.83 103.07 105.47 1h3a h GLY 403 Ca -0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1h3a h GLY 403 CO -0.04 0.57 -0.34 -2.75 0.00 0.00 0.00 176.54 173.97 1h3a h PHE 404 N 1.22 -0.93 -0.73 5.60 3.04 0.29 -1.87 116.94 123.56 1h3a h PHE 404 Ca 0.31 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.29 1h3a h PHE 404 Cb 0.04 0.36 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 1h3a h PHE 404 CO 0.01 -0.49 0.48 0.00 -2.02 0.00 0.00 178.31 176.29 1h3a h ARG 405 N -0.73 0.86 -0.13 1.11 3.08 -1.02 -2.32 114.38 115.23 1h3a h ARG 405 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1h3a h ARG 405 Cb 0.65 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1h3a h ARG 405 CO -0.05 0.57 0.08 2.35 -1.07 0.00 0.00 179.97 181.86 1h3a h TRP 406 N 0.89 0.16 -0.27 3.04 7.01 -0.94 -0.87 115.95 124.97 1h3a h TRP 406 Ca 0.29 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.33 1h3a h TRP 406 Cb 0.05 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 1h3a h TRP 406 CO -0.00 0.10 0.05 0.82 -2.79 0.00 0.00 178.44 176.62 1h3a h ILE 407 N 0.17 0.87 -0.98 2.65 2.04 -0.88 -1.72 117.51 119.65 1h3a h ILE 407 Ca 0.05 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1h3a h ILE 407 Cb -0.02 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1h3a h ILE 407 CO -0.01 0.03 0.63 0.58 0.00 0.00 0.00 178.15 179.37 1h3a h VAL 408 N 0.14 1.04 0.00 1.67 2.07 -1.15 0.16 116.25 120.18 1h3a h VAL 408 Ca 0.12 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1h3a h VAL 408 Cb 0.13 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1h3a h VAL 408 CO -0.17 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1h3a n GLY 409 N -1.35 -0.85 0.10 2.17 0.00 -0.36 -2.68 105.19 102.22 1h3a n GLY 409 Ca 0.16 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1h3a n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h3a n MET 410 N -1.06 1.09 -1.68 1.61 2.00 0.54 -4.97 117.12 114.65 1h3a n MET 410 Ca 0.17 -0.22 -0.43 0.00 0.00 0.00 0.00 57.70 57.22 1h3a n MET 410 Cb 0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 33.22 31.93 1h3a n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1h3a n GLN 411 N -1.11 2.66 -0.52 0.03 7.27 -1.09 -4.61 117.38 120.02 1h3a n GLN 411 Ca 0.05 0.97 -0.14 0.00 0.07 0.00 0.00 57.00 57.95 1h3a n GLN 411 Cb 0.31 -2.86 0.11 0.00 2.41 0.00 0.00 30.24 30.22 1h3a n GLN 411 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1h3a n SER 412 N 5.87 -1.36 -0.11 1.69 7.64 0.19 -4.91 113.62 122.63 1h3a n SER 412 Ca 0.19 -0.84 -0.12 0.00 1.01 0.00 0.00 58.87 59.10 1h3a n SER 412 Cb 0.36 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1h3a n SER 412 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1h3a h SER 413 N -1.71 0.76 0.00 6.43 0.02 -1.93 -2.93 113.55 114.19 1h3a h SER 413 Ca -0.19 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1h3a h SER 413 Cb 0.57 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1h3a h SER 413 CO 0.13 1.02 0.00 -0.46 -1.14 0.00 0.00 176.83 176.37 1h3a n ASN 414 N -4.30 0.07 0.00 3.07 0.23 -1.26 -4.79 115.26 108.27 1h3a n ASN 414 Ca -0.03 -1.39 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 1h3a n ASN 414 Cb 0.42 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1h3a n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1h3a n GLY 415 N 0.19 2.60 3.94 4.83 0.00 -1.11 -4.52 105.19 111.12 1h3a n GLY 415 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1h3a n GLY 415 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3a s GLY 416 N -2.00 1.73 -0.12 -0.02 0.00 -1.26 -3.93 107.32 101.72 1h3a s GLY 416 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1h3a s GLY 416 CO 0.00 -0.70 -0.20 -0.98 0.00 0.00 0.00 173.10 171.22 1h3a s TRP 417 N -3.05 2.67 0.00 1.90 0.51 -1.26 -0.63 118.94 119.07 1h3a s TRP 417 Ca 0.58 -0.97 0.00 0.00 -2.12 0.00 0.00 56.10 53.60 1h3a s TRP 417 Cb -0.11 -1.78 0.00 0.00 -0.81 0.00 0.00 33.47 30.78 1h3a s TRP 417 CO 0.42 -0.39 0.00 0.41 -0.51 0.00 0.00 176.95 176.89 1h3a n GLY 418 N 3.64 0.07 0.55 0.98 0.00 -1.26 -2.68 105.19 106.48 1h3a n GLY 418 Ca -0.19 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1h3a n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3a n ALA 419 N -3.00 2.52 0.00 4.61 0.00 -1.26 -4.69 120.51 118.69 1h3a n ALA 419 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h3a n ALA 419 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1h3a n ALA 419 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h3a n TYR 420 N -2.72 0.00 -4.10 0.00 4.01 -1.26 -1.08 117.16 112.01 1h3a n TYR 420 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 1h3a n TYR 420 Cb 0.47 0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 1h3a n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h3a s ASP 421 N -4.24 4.51 -0.06 7.72 1.01 -1.26 -4.74 116.67 119.61 1h3a s ASP 421 Ca 0.00 -1.32 0.02 0.00 0.71 0.00 0.00 52.55 51.96 1h3a s ASP 421 Cb 0.00 0.37 -0.03 0.00 1.01 0.00 0.00 42.92 44.27 1h3a s ASP 421 CO 0.00 -1.00 -0.11 -0.69 0.21 0.00 0.00 175.17 173.58 1h3a s VAL 422 N -2.78 3.34 -0.87 -1.27 1.01 -1.26 -4.42 120.40 114.15 1h3a s VAL 422 Ca 0.28 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1h3a s VAL 422 Cb -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1h3a s VAL 422 CO 0.17 0.59 0.00 0.47 0.00 0.00 0.00 175.10 176.33 1h3a n ASP 423 N 2.28 -2.90 -3.60 3.32 8.00 -1.26 -4.79 116.55 117.59 1h3a n ASP 423 Ca -0.17 0.25 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 1h3a n ASP 423 Cb 0.52 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.12 38.98 1h3a n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h3a n ASN 424 N -1.07 4.36 -0.69 -2.24 2.85 -1.26 -4.47 115.26 112.75 1h3a n ASN 424 Ca -0.10 -2.73 0.05 0.00 -0.11 0.00 0.00 54.58 51.69 1h3a n ASN 424 Cb 0.47 -1.48 0.20 0.00 1.24 0.00 0.00 39.78 40.22 1h3a n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h3a n THR 425 N 5.02 2.23 -1.73 -0.44 -2.24 -1.26 -2.84 114.28 113.02 1h3a n THR 425 Ca 0.55 -2.40 -0.42 0.00 -2.27 0.00 0.00 64.05 59.50 1h3a n THR 425 Cb 0.35 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1h3a n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1h3a n SER 426 N -1.02 3.56 -1.04 3.42 2.88 -1.26 -4.89 113.62 115.27 1h3a n SER 426 Ca 0.23 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 59.01 1h3a n SER 426 Cb 0.83 -1.55 0.23 0.00 -0.75 0.00 0.00 64.21 62.97 1h3a n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h3a n ASP 427 N 2.00 3.43 0.02 -3.46 2.03 -1.26 -4.54 116.55 114.76 1h3a n ASP 427 Ca 0.09 -1.97 -0.18 0.00 0.52 0.00 0.00 54.79 53.25 1h3a n ASP 427 Cb 0.36 -0.34 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 1h3a n ASP 427 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1h3a h LEU 428 N 3.47 0.43 -1.57 -2.67 -0.00 -1.96 -3.32 115.31 109.69 1h3a h LEU 428 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 57.88 57.01 1h3a h LEU 428 Cb 0.88 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1h3a h LEU 428 CO 0.00 1.25 0.00 1.55 -0.00 0.00 0.00 178.44 181.24 1h3a h PRO 429 N -0.34 0.00 -0.67 1.13 0.13 -1.91 -2.73 132.00 127.61 1h3a h PRO 429 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1h3a h PRO 429 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1h3a h PRO 429 CO 0.12 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.98 1h3a n ASN 430 N -2.59 0.76 0.00 1.44 3.02 -1.25 -3.14 115.26 113.50 1h3a n ASN 430 Ca -0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1h3a n ASN 430 Cb 0.15 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1h3a n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1h3a n HIS 431 N -0.14 0.00 -1.78 3.10 8.25 -1.03 -0.75 115.22 122.87 1h3a n HIS 431 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1h3a n HIS 431 Cb 0.18 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 1h3a n HIS 431 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1h3a s ILE 432 N -0.76 2.06 0.40 1.59 -1.09 -1.19 -4.51 121.20 117.70 1h3a s ILE 432 Ca 0.00 0.05 0.16 0.00 -2.23 0.00 0.00 60.65 58.62 1h3a s ILE 432 Cb 0.00 -3.03 0.37 0.00 -1.58 0.00 0.00 42.46 38.22 1h3a s ILE 432 CO 0.00 0.01 1.84 -0.65 -1.23 0.00 0.00 174.94 174.91 1h3a h PRO 433 N 4.65 0.46 0.41 2.79 0.11 -1.92 -2.37 132.00 136.12 1h3a h PRO 433 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1h3a h PRO 433 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1h3a h PRO 433 CO 0.78 0.30 -0.20 0.35 -0.21 0.00 0.00 178.00 179.03 1h3a h PHE 434 N 0.47 -0.51 -2.23 0.65 3.57 -1.89 -3.40 116.94 113.59 1h3a h PHE 434 Ca 0.49 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 61.45 1h3a h PHE 434 Cb 1.12 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1h3a h PHE 434 CO -0.00 -0.26 1.36 0.00 -2.23 0.00 0.00 178.31 177.18 1h3a n ASP 436 N 12.04 0.00 -3.81 0.00 5.75 -1.26 -3.37 116.55 125.91 1h3a n ASP 436 Ca 0.24 -1.00 -0.24 0.00 -0.01 0.00 0.00 54.79 53.77 1h3a n ASP 436 Cb 0.50 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.42 1h3a n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1h3a s PHE 437 N 0.00 0.94 0.01 2.11 5.36 -1.26 -4.75 117.98 120.38 1h3a s PHE 437 Ca 0.00 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 1h3a s PHE 437 Cb 0.00 -0.94 0.00 0.00 -0.34 0.00 0.00 43.02 41.74 1h3a s PHE 437 CO 0.00 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 173.77 1h3a n GLY 438 N 5.08 -1.13 3.79 13.12 0.00 -1.26 -4.83 105.19 119.96 1h3a n GLY 438 Ca -0.09 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1h3a n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h3a s GLU 439 N -0.05 2.47 0.00 1.61 0.41 -1.26 -4.95 118.70 116.93 1h3a s GLU 439 Ca 0.00 1.07 0.00 0.00 -0.41 0.00 0.00 54.97 55.63 1h3a s GLU 439 Cb 0.00 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.42 1h3a s GLU 439 CO 0.00 -1.46 0.00 0.28 -0.49 0.00 0.00 175.26 173.59 1h3a n VAL 440 N -3.39 0.00 -4.45 2.63 0.31 -1.26 -4.93 118.33 107.24 1h3a n VAL 440 Ca 0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.15 1h3a n VAL 440 Cb 0.53 0.21 -0.10 0.00 -0.91 0.00 0.00 33.84 33.58 1h3a n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1h3a s THR 441 N -1.23 2.11 -0.57 2.52 -4.23 -1.26 0.75 115.64 113.74 1h3a s THR 441 Ca 0.00 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1h3a s THR 441 Cb 0.00 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 71.08 1h3a s THR 441 CO 0.00 -0.00 0.63 -0.67 -0.54 0.00 0.00 174.62 174.04 1h3a n ASP 442 N -1.06 2.45 -4.87 3.99 2.03 -1.13 -4.73 116.55 113.22 1h3a n ASP 442 Ca -0.04 -3.15 -0.31 0.00 0.52 0.00 0.00 54.79 51.82 1h3a n ASP 442 Cb 0.66 -0.67 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1h3a n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h3a s PRO 443 N -1.85 3.50 0.41 -0.67 0.04 -1.17 -4.29 135.00 130.97 1h3a s PRO 443 Ca 0.36 0.66 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 1h3a s PRO 443 Cb 0.13 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1h3a s PRO 443 CO -0.07 -0.60 1.25 -2.30 0.04 0.00 0.00 177.00 175.32 1h3a n PRO 444 N -2.74 1.89 -4.51 0.56 -0.02 -1.26 -4.66 135.00 124.25 1h3a n PRO 444 Ca 0.06 0.67 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 1h3a n PRO 444 Cb 0.55 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 1h3a n PRO 444 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h3a s SER 445 N -0.53 3.38 -0.07 2.55 1.04 -1.09 -4.92 113.70 114.06 1h3a s SER 445 Ca 0.61 -1.23 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 1h3a s SER 445 Cb -0.52 -0.29 -0.17 0.00 0.10 0.00 0.00 66.02 65.14 1h3a s SER 445 CO 0.58 -0.31 0.84 -0.33 0.98 0.00 0.00 173.24 175.01 1h3a h GLU 446 N 2.07 -0.13 -0.24 4.02 3.07 -1.90 -3.00 114.58 118.46 1h3a h GLU 446 Ca -0.42 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.51 1h3a h GLU 446 Cb 1.24 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.12 1h3a h GLU 446 CO 0.71 0.37 -0.16 0.38 -1.40 0.00 0.00 179.01 178.91 1h3a h ASP 447 N -0.85 -0.52 0.06 1.42 2.03 -1.88 0.38 116.42 117.05 1h3a h ASP 447 Ca -0.01 0.11 0.01 0.00 -0.73 0.00 0.00 57.03 56.41 1h3a h ASP 447 Cb 0.57 0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 39.32 1h3a h ASP 447 CO 0.02 -0.20 -0.14 0.58 -1.03 0.00 0.00 179.24 178.47 1h3a h VAL 448 N -0.15 0.67 -0.38 4.15 2.07 -1.87 -1.47 116.25 119.26 1h3a h VAL 448 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1h3a h VAL 448 Cb 0.35 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1h3a h VAL 448 CO -0.33 0.00 -0.06 0.74 0.02 0.00 0.00 177.57 177.94 1h3a h THR 449 N -0.26 0.66 -0.36 2.57 2.02 -1.32 -1.20 112.91 115.02 1h3a h THR 449 Ca 0.03 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1h3a h THR 449 Cb 0.29 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 1h3a h THR 449 CO -0.10 0.01 -0.12 0.00 0.37 0.00 0.00 175.52 175.68 1h3a h ALA 450 N 1.36 0.19 -0.54 6.16 0.00 -0.54 0.79 119.26 126.68 1h3a h ALA 450 Ca 0.19 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1h3a h ALA 450 Cb 0.28 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1h3a h ALA 450 CO -0.36 -0.49 0.36 0.45 0.00 0.00 0.00 179.25 179.21 1h3a h HIS 451 N -0.04 0.44 0.08 0.00 3.86 -0.39 0.24 115.15 119.34 1h3a h HIS 451 Ca 0.18 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1h3a h HIS 451 Cb 0.32 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1h3a h HIS 451 CO -0.36 0.23 -0.04 0.28 0.86 0.00 0.00 177.93 178.90 1h3a h VAL 452 N 0.43 1.13 -0.95 2.45 2.07 0.24 -1.92 116.25 119.70 1h3a h VAL 452 Ca 0.24 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1h3a h VAL 452 Cb 0.39 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1h3a h VAL 452 CO -0.06 0.20 0.60 -0.07 0.02 0.00 0.00 177.57 178.25 1h3a h LEU 453 N -0.49 1.13 -1.75 2.57 4.07 -0.49 -0.36 115.31 119.99 1h3a h LEU 453 Ca -0.01 -0.05 0.07 0.00 0.08 0.00 0.00 57.88 57.97 1h3a h LEU 453 Cb 0.41 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1h3a h LEU 453 CO 0.02 0.85 0.30 -0.08 -1.08 0.00 0.00 178.44 178.45 1h3a h GLU 454 N 1.31 0.29 0.22 1.13 4.57 -0.44 0.28 114.58 121.93 1h3a h GLU 454 Ca 0.34 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1h3a h GLU 454 Cb -0.09 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1h3a h GLU 454 CO -0.07 0.19 -0.10 0.00 -1.18 0.00 0.00 179.01 177.85 1h3a h PHE 456 N -0.85 0.84 -0.83 0.00 0.04 -0.96 -2.41 116.94 112.77 1h3a h PHE 456 Ca -0.03 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.91 1h3a h PHE 456 Cb 0.51 -0.28 -0.09 0.00 2.20 0.00 0.00 35.95 38.29 1h3a h PHE 456 CO 0.06 0.46 0.41 0.78 -0.60 0.00 0.00 178.31 179.42 1h3a h GLY 457 N 0.84 1.33 1.52 -1.45 0.00 -0.98 -0.01 103.07 104.33 1h3a h GLY 457 Ca 0.32 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1h3a h GLY 457 CO -0.10 -0.05 0.26 1.48 0.00 0.00 0.00 176.54 178.13 1h3a h SER 458 N 0.59 0.36 1.19 0.19 4.64 -1.45 -1.00 113.55 118.06 1h3a h SER 458 Ca 0.45 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 1h3a h SER 458 Cb 0.65 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1h3a h SER 458 CO -0.37 0.25 -0.35 -0.26 -0.87 0.00 0.00 176.83 175.23 1h3a h PHE 459 N 0.42 0.00 0.00 4.77 0.04 -1.08 -3.47 116.94 117.61 1h3a h PHE 459 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1h3a h PHE 459 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1h3a h PHE 459 CO -0.00 0.35 0.00 0.41 -0.60 0.00 0.00 178.31 178.47 1h3a n GLY 460 N 0.63 0.63 3.63 -1.45 0.00 -0.38 -5.07 105.19 103.18 1h3a n GLY 460 Ca 0.01 -0.08 -0.59 0.00 0.00 0.00 0.00 46.02 45.36 1h3a n GLY 460 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h3a n TYR 461 N 0.00 1.84 -2.64 1.61 4.02 -1.22 -4.93 117.16 115.84 1h3a n TYR 461 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 57.90 58.52 1h3a n TYR 461 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 39.34 36.91 1h3a n TYR 461 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1h3a n ASP 462 N 6.03 0.43 0.23 7.72 5.75 -1.26 -4.24 116.55 131.21 1h3a n ASP 462 Ca 0.33 -0.42 0.16 0.00 -0.01 0.00 0.00 54.79 54.84 1h3a n ASP 462 Cb 0.09 0.00 0.78 0.00 -1.03 0.00 0.00 41.12 40.96 1h3a n ASP 462 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1h3a h ASP 463 N 0.00 0.00 -0.82 -1.12 3.58 -1.82 -2.75 116.42 113.48 1h3a h ASP 463 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1h3a h ASP 463 Cb 0.00 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1h3a h ASP 463 CO 0.00 0.00 0.54 0.00 -2.88 0.00 0.00 179.24 176.90 1h3a h ALA 464 N 2.05 1.47 -2.31 -0.78 0.00 -1.94 -3.38 119.26 114.37 1h3a h ALA 464 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.32 1h3a h ALA 464 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1h3a h ALA 464 CO 0.00 0.46 0.85 -0.46 0.00 0.00 0.00 179.25 180.10 1h3a s TRP 465 N -5.89 2.82 0.20 0.00 -0.00 -1.04 -4.93 118.94 110.10 1h3a s TRP 465 Ca -0.11 0.85 -0.19 0.00 -0.00 0.00 0.00 56.10 56.65 1h3a s TRP 465 Cb 0.18 -3.62 0.16 0.00 -0.00 0.00 0.00 33.47 30.19 1h3a s TRP 465 CO 0.79 -2.28 1.59 -0.22 -0.00 0.00 0.00 176.95 176.83 1h3a h LYS 466 N 8.01 -0.12 -0.98 5.86 3.64 -1.90 -0.21 116.57 130.87 1h3a h LYS 466 Ca -0.35 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.30 1h3a h LYS 466 Cb 1.16 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 1h3a h LYS 466 CO 0.91 -0.08 0.55 0.28 -2.27 0.00 0.00 179.45 178.84 1h3a h VAL 467 N -0.12 0.45 -0.16 2.00 2.07 -1.94 0.16 116.25 118.71 1h3a h VAL 467 Ca 0.26 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1h3a h VAL 467 Cb 0.55 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1h3a h VAL 467 CO -0.71 0.08 -0.03 0.40 0.02 0.00 0.00 177.57 177.33 1h3a h ILE 468 N 0.46 1.28 -0.12 4.57 1.08 -1.34 -2.87 117.51 120.58 1h3a h ILE 468 Ca 0.66 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1h3a h ILE 468 Cb 1.34 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.66 1h3a h ILE 468 CO -0.53 0.29 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.05 1h3a h ARG 469 N 0.01 -0.07 -0.92 2.37 2.43 -0.31 -0.58 114.38 117.31 1h3a h ARG 469 Ca 0.04 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 1h3a h ARG 469 Cb 0.45 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 1h3a h ARG 469 CO 0.01 -0.05 0.59 0.00 -1.51 0.00 0.00 179.97 179.02 1h3a h ARG 470 N -0.07 0.80 -0.18 0.20 3.08 -1.06 0.22 114.38 117.37 1h3a h ARG 470 Ca 0.07 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1h3a h ARG 470 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1h3a h ARG 470 CO -0.17 0.53 -0.07 0.00 -1.07 0.00 0.00 179.97 179.20 1h3a h ALA 471 N 1.57 0.25 -0.39 0.04 0.00 -1.13 -2.43 119.26 117.17 1h3a h ALA 471 Ca 0.45 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1h3a h ALA 471 Cb 0.57 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1h3a h ALA 471 CO -0.21 0.05 0.19 0.28 0.00 0.00 0.00 179.25 179.56 1h3a h VAL 472 N 0.06 0.98 -0.87 0.00 2.07 -0.07 -1.46 116.25 116.95 1h3a h VAL 472 Ca 0.04 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1h3a h VAL 472 Cb 0.53 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1h3a h VAL 472 CO 0.02 0.07 0.52 -0.33 0.02 0.00 0.00 177.57 177.88 1h3a h GLU 473 N 0.40 0.87 -0.20 1.57 4.39 -0.96 -0.08 114.58 120.56 1h3a h GLU 473 Ca 0.16 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1h3a h GLU 473 Cb 0.07 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1h3a h GLU 473 CO -0.11 0.57 0.09 -0.92 -1.16 0.00 0.00 179.01 177.48 1h3a h TYR 474 N 0.89 0.17 -0.85 4.33 3.20 -0.79 -1.46 116.97 122.45 1h3a h TYR 474 Ca 0.41 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.26 1h3a h TYR 474 Cb 0.32 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1h3a h TYR 474 CO -0.04 0.09 0.40 -0.07 -1.64 0.00 0.00 178.16 176.90 1h3a h LEU 475 N 0.20 1.12 -0.89 2.82 3.38 -0.37 -1.86 115.31 119.71 1h3a h LEU 475 Ca 0.08 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1h3a h LEU 475 Cb 0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1h3a h LEU 475 CO -0.07 0.95 0.14 0.11 0.09 0.00 0.00 178.44 179.66 1h3a h LYS 476 N 1.22 0.95 0.00 1.13 1.57 -0.69 -1.09 116.57 119.67 1h3a h LYS 476 Ca 0.29 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1h3a h LYS 476 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1h3a h LYS 476 CO -0.04 0.86 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 1h3a h ARG 477 N 0.91 0.00 0.00 3.15 3.08 -0.97 -3.20 114.38 117.34 1h3a h ARG 477 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1h3a h ARG 477 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1h3a h ARG 477 CO 0.00 0.00 -1.15 0.39 -1.07 0.00 0.00 179.97 178.15 1h3a n GLU 478 N -2.94 0.32 -1.67 0.04 -0.58 -0.73 -4.94 120.64 110.14 1h3a n GLU 478 Ca 0.03 -0.02 -0.46 0.00 -0.42 0.00 0.00 57.16 56.29 1h3a n GLU 478 Cb 0.46 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.70 1h3a n GLU 478 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1h3a n GLN 479 N -1.99 2.17 -1.23 3.49 7.27 -0.45 -4.82 117.38 121.81 1h3a n GLN 479 Ca 0.01 0.78 -0.31 0.00 0.07 0.00 0.00 57.00 57.55 1h3a n GLN 479 Cb 0.45 -2.56 0.10 0.00 2.41 0.00 0.00 30.24 30.63 1h3a n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h3a s LYS 480 N 1.23 2.18 0.25 3.69 -0.14 0.75 -4.88 119.74 122.82 1h3a s LYS 480 Ca 0.80 1.20 -0.03 0.00 -1.36 0.00 0.00 55.97 56.58 1h3a s LYS 480 Cb -0.68 -1.89 0.52 0.00 -1.68 0.00 0.00 37.83 34.10 1h3a s LYS 480 CO 0.39 -1.71 1.69 -1.35 -0.76 0.00 0.00 175.35 173.61 1h3a h PRO 481 N -1.15 0.29 -0.59 -1.68 0.11 -1.92 0.17 132.00 127.22 1h3a h PRO 481 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h3a h PRO 481 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h3a h PRO 481 CO 0.51 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1h3a n ASP 482 N -5.14 0.59 -1.09 -2.05 5.75 -1.26 -4.81 116.55 108.54 1h3a n ASP 482 Ca 0.16 -1.79 -0.12 0.00 -0.01 0.00 0.00 54.79 53.03 1h3a n ASP 482 Cb 0.50 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1h3a n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h3a n GLY 483 N 0.17 0.65 3.75 6.12 0.00 0.58 -4.77 105.19 111.70 1h3a n GLY 483 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1h3a n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h3a s SER 484 N -2.70 5.05 -0.15 1.61 1.04 -1.24 -3.97 113.70 113.34 1h3a s SER 484 Ca 0.00 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1h3a s SER 484 Cb 0.00 -1.09 0.01 0.00 0.10 0.00 0.00 66.02 65.05 1h3a s SER 484 CO 0.00 -0.08 -0.20 0.26 0.98 0.00 0.00 173.24 174.20 1h3a s TRP 485 N -2.25 2.58 0.53 5.02 0.51 -1.26 -0.18 118.94 123.89 1h3a s TRP 485 Ca 0.33 -1.37 -0.20 0.00 -2.12 0.00 0.00 56.10 52.74 1h3a s TRP 485 Cb -0.07 -1.78 -0.08 0.00 -0.81 0.00 0.00 33.47 30.73 1h3a s TRP 485 CO 0.23 -0.65 0.80 0.34 -0.51 0.00 0.00 176.95 177.16 1h3a n PHE 486 N 4.27 0.31 -3.86 -1.98 7.35 -1.26 -3.07 117.46 119.21 1h3a n PHE 486 Ca -0.20 0.48 -0.36 0.00 -0.76 0.00 0.00 57.45 56.62 1h3a n PHE 486 Cb 0.51 -2.09 -0.13 0.00 0.35 0.00 0.00 39.48 38.12 1h3a n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1h3a s GLY 487 N -1.07 1.77 -0.05 7.13 0.00 -1.11 -4.41 107.32 109.58 1h3a s GLY 487 Ca 0.69 -1.71 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1h3a s GLY 487 CO 0.53 0.70 0.30 -0.09 0.00 0.00 0.00 173.10 174.54 1h3a h ARG 488 N 8.07 -0.21 -1.75 2.90 9.65 -1.94 -3.38 114.38 127.73 1h3a h ARG 488 Ca -0.23 0.01 -0.74 0.00 -1.10 0.00 0.00 59.98 57.93 1h3a h ARG 488 Cb 1.07 0.05 -0.29 0.00 -1.39 0.00 0.00 29.97 29.41 1h3a h ARG 488 CO 0.56 -0.14 0.87 0.91 2.80 0.00 0.00 179.97 184.96 1h3a n TRP 489 N -4.24 3.06 0.00 2.20 7.02 -1.26 -4.60 117.44 119.62 1h3a n TRP 489 Ca -0.03 -2.52 0.00 0.00 -1.02 0.00 0.00 57.50 53.94 1h3a n TRP 489 Cb 0.09 -1.15 0.00 0.00 -2.42 0.00 0.00 31.31 27.83 1h3a n TRP 489 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1h3a n GLY 490 N -0.61 1.62 3.58 6.99 0.00 -1.26 -3.82 105.19 111.68 1h3a n GLY 490 Ca 0.54 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 46.39 1h3a n GLY 490 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h3a s VAL 491 N -0.09 3.84 0.00 1.61 1.01 0.93 -4.50 120.40 123.20 1h3a s VAL 491 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1h3a s VAL 491 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1h3a s VAL 491 CO 0.00 -1.24 0.00 -3.20 0.00 0.00 0.00 175.10 170.66 1h3a n ASN 492 N 9.30 0.00 0.05 3.32 2.85 -1.26 -4.55 115.26 124.97 1h3a n ASN 492 Ca 0.11 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.51 1h3a n ASN 492 Cb 0.49 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.60 1h3a n ASN 492 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1h3a h TYR 493 N 0.00 0.47 0.00 1.20 0.05 -1.83 0.10 116.97 116.96 1h3a h TYR 493 Ca 0.00 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.54 1h3a h TYR 493 Cb 0.00 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1h3a h TYR 493 CO 0.00 0.88 -0.27 -0.07 -1.05 0.00 0.00 178.16 177.65 1h3a h LEU 494 N 0.27 0.00 0.03 3.88 3.38 -1.87 0.94 115.31 121.95 1h3a h LEU 494 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1h3a h LEU 494 Cb 1.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 1h3a h LEU 494 CO 0.10 0.27 -0.20 0.22 0.09 0.00 0.00 178.44 178.92 1h3a h TYR 495 N 0.00 0.14 0.23 1.13 3.20 -1.69 -2.93 116.97 117.06 1h3a h TYR 495 Ca -0.00 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1h3a h TYR 495 Cb 0.65 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1h3a h TYR 495 CO 0.00 1.05 -0.11 0.78 -1.64 0.00 0.00 178.16 178.24 1h3a h GLY 496 N -0.81 -0.32 0.39 1.82 0.00 -0.87 -2.06 103.07 101.22 1h3a h GLY 496 Ca -0.03 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.49 1h3a h GLY 496 CO 0.04 -0.12 0.04 -0.84 0.00 0.00 0.00 176.54 175.66 1h3a h THR 497 N -0.65 0.72 -0.43 4.70 2.02 -0.73 0.13 112.91 118.66 1h3a h THR 497 Ca -0.03 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1h3a h THR 497 Cb 0.46 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1h3a h THR 497 CO 0.05 0.03 0.26 1.23 0.37 0.00 0.00 175.52 177.46 1h3a h GLY 498 N 0.15 0.62 0.55 2.16 0.00 -1.54 -1.51 103.07 103.50 1h3a h GLY 498 Ca 0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1h3a h GLY 498 CO -0.31 0.24 -0.11 0.00 0.00 0.00 0.00 176.54 176.36 1h3a h ALA 499 N 1.70 0.08 0.83 3.60 0.00 -0.39 -2.67 119.26 122.40 1h3a h ALA 499 Ca 0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1h3a h ALA 499 Cb -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1h3a h ALA 499 CO -0.03 -0.04 -0.40 0.28 0.00 0.00 0.00 179.25 179.06 1h3a h VAL 500 N -0.36 0.00 -0.75 0.00 2.07 -0.57 -1.28 116.25 115.37 1h3a h VAL 500 Ca -0.00 -0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1h3a h VAL 500 Cb 0.71 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1h3a h VAL 500 CO 0.02 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.42 1h3a h VAL 501 N -1.11 0.55 -0.88 2.57 2.07 -1.42 0.37 116.25 118.39 1h3a h VAL 501 Ca -0.11 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1h3a h VAL 501 Cb 0.85 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1h3a h VAL 501 CO 0.19 0.06 0.58 -1.28 0.02 0.00 0.00 177.57 177.13 1h3a h SER 502 N 0.32 0.97 0.14 0.57 0.87 -1.37 -1.39 113.55 113.65 1h3a h SER 502 Ca 0.42 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1h3a h SER 502 Cb 0.71 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1h3a h SER 502 CO -0.48 0.68 -0.06 0.00 -0.53 0.00 0.00 176.83 176.43 1h3a h ALA 503 N 1.47 -0.18 -0.41 6.23 0.00 0.55 -3.04 119.26 123.88 1h3a h ALA 503 Ca 0.34 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1h3a h ALA 503 Cb -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1h3a h ALA 503 CO -0.09 -0.26 0.39 -0.07 0.00 0.00 0.00 179.25 179.22 1h3a h LEU 504 N -0.86 0.00 -0.21 0.00 3.38 -0.32 0.24 115.31 117.54 1h3a h LEU 504 Ca -0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 1h3a h LEU 504 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1h3a h LEU 504 CO 0.03 0.00 -0.93 0.50 0.09 0.00 0.00 178.44 178.13 1h3a h LYS 505 N 0.00 0.26 0.00 1.13 3.11 -1.27 -2.62 116.57 117.18 1h3a h LYS 505 Ca 0.19 -0.30 -0.05 0.00 -2.81 0.00 0.00 60.65 57.69 1h3a h LYS 505 Cb 0.97 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 1h3a h LYS 505 CO -0.00 1.02 -0.48 0.00 -2.81 0.00 0.00 179.45 177.18 1h3a h ALA 506 N 0.87 0.78 -0.03 5.00 0.00 -0.49 -3.26 119.26 122.13 1h3a h ALA 506 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1h3a h ALA 506 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1h3a h ALA 506 CO 0.15 0.29 0.00 1.33 0.00 0.00 0.00 179.25 181.02 1h3a n VAL 507 N -3.04 0.04 0.00 0.00 0.24 -0.29 -4.54 118.33 110.73 1h3a n VAL 507 Ca 0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1h3a n VAL 507 Cb 0.63 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1h3a n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h3a n GLY 508 N 0.98 3.36 3.52 7.63 0.00 -1.23 -2.33 105.19 117.12 1h3a n GLY 508 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1h3a n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h3a n ILE 509 N -1.51 1.98 -2.30 -0.61 2.08 -0.99 -4.86 119.36 113.16 1h3a n ILE 509 Ca 0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.39 1h3a n ILE 509 Cb 0.00 -0.73 -0.03 0.00 -0.75 0.00 0.00 39.64 38.14 1h3a n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1h3a s ASP 510 N -0.77 6.91 0.00 4.38 2.15 -1.26 -4.59 116.67 123.49 1h3a s ASP 510 Ca 0.61 1.98 0.22 0.00 0.43 0.00 0.00 52.55 55.80 1h3a s ASP 510 Cb -0.69 -2.55 1.05 0.00 -0.30 0.00 0.00 42.92 40.43 1h3a s ASP 510 CO 0.58 -0.70 1.73 0.35 -0.17 0.00 0.00 175.17 176.96 1h3a n THR 511 N 4.80 0.38 0.62 1.71 -2.24 -1.26 -2.71 114.28 115.58 1h3a n THR 511 Ca 0.13 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1h3a n THR 511 Cb 0.44 -0.72 0.31 0.00 -2.10 0.00 0.00 70.33 68.27 1h3a n THR 511 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1h3a n ARG 512 N -1.38 0.26 -1.40 -0.78 0.63 -1.26 -4.36 116.66 108.36 1h3a n ARG 512 Ca 0.08 0.15 -0.39 0.00 -0.92 0.00 0.00 57.85 56.78 1h3a n ARG 512 Cb 0.22 -1.74 0.03 0.00 0.45 0.00 0.00 32.46 31.41 1h3a n ARG 512 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1h3a n GLU 513 N -2.17 0.36 0.26 -0.14 -0.58 -1.10 -4.68 120.64 112.59 1h3a n GLU 513 Ca 0.05 0.14 -0.15 0.00 -0.42 0.00 0.00 57.16 56.78 1h3a n GLU 513 Cb 0.43 -1.47 -0.08 0.00 -0.57 0.00 0.00 31.44 29.75 1h3a n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h3a h PRO 514 N 0.21 -0.81 -0.36 3.49 0.11 -1.92 -1.35 132.00 131.37 1h3a h PRO 514 Ca -0.44 0.06 0.10 0.00 0.11 0.00 0.00 66.00 65.83 1h3a h PRO 514 Cb 1.42 0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.69 1h3a h PRO 514 CO 0.46 -0.54 0.29 0.10 -0.21 0.00 0.00 178.00 178.10 1h3a h TYR 515 N -0.84 0.00 0.31 0.65 -0.00 -1.98 -0.48 116.97 114.63 1h3a h TYR 515 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.66 1h3a h TYR 515 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.45 1h3a h TYR 515 CO -0.19 0.00 -0.15 0.82 -0.00 0.00 0.00 178.16 178.65 1h3a h ILE 516 N 0.00 0.60 -0.77 -0.90 1.08 -1.80 -3.02 117.51 112.71 1h3a h ILE 516 Ca 0.17 -0.75 0.08 0.00 -0.39 0.00 0.00 64.86 63.97 1h3a h ILE 516 Cb 0.74 0.93 -0.07 0.00 -3.07 0.00 0.00 36.82 35.35 1h3a h ILE 516 CO -0.00 0.12 0.43 1.56 -0.69 0.00 0.00 178.15 179.58 1h3a h GLN 517 N -0.88 0.74 0.00 2.37 1.08 -0.54 0.16 115.11 118.04 1h3a h GLN 517 Ca -0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1h3a h GLN 517 Cb 0.52 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1h3a h GLN 517 CO 0.07 0.49 0.07 -0.22 -0.95 0.00 0.00 178.83 178.29 1h3a h LYS 518 N 0.76 0.00 0.05 1.46 3.64 -1.13 -0.89 116.57 120.46 1h3a h LYS 518 Ca 0.36 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.53 1h3a h LYS 518 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1h3a h LYS 518 CO -0.22 0.00 -1.08 0.00 -2.27 0.00 0.00 179.45 175.88 1h3a h ALA 519 N 1.84 0.17 -0.25 5.00 0.00 -0.55 -3.27 119.26 122.20 1h3a h ALA 519 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 54.91 53.91 1h3a h ALA 519 Cb 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1h3a h ALA 519 CO 0.00 0.62 0.14 -0.07 0.00 0.00 0.00 179.25 179.95 1h3a h LEU 520 N -0.67 0.23 -0.99 0.00 4.07 -0.78 -2.06 115.31 115.11 1h3a h LEU 520 Ca -0.26 0.00 0.14 0.00 0.08 0.00 0.00 57.88 57.85 1h3a h LEU 520 Cb 1.46 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 43.06 1h3a h LEU 520 CO -0.04 0.17 0.61 0.44 -1.08 0.00 0.00 178.44 178.54 1h3a h ASP 521 N 0.30 0.86 -0.89 -0.43 3.32 -1.38 0.58 116.42 118.77 1h3a h ASP 521 Ca 0.10 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1h3a h ASP 521 Cb -0.00 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 1h3a h ASP 521 CO -0.05 0.40 0.57 -0.25 -1.72 0.00 0.00 179.24 178.20 1h3a h TRP 522 N 0.90 1.06 -0.26 4.55 7.01 -1.43 -1.59 115.95 126.19 1h3a h TRP 522 Ca 0.52 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.54 1h3a h TRP 522 Cb 0.63 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1h3a h TRP 522 CO -0.01 0.59 0.14 0.28 -2.79 0.00 0.00 178.44 176.65 1h3a h VAL 523 N 1.08 1.12 0.00 2.65 2.07 -0.57 -2.58 116.25 120.02 1h3a h VAL 523 Ca 0.37 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1h3a h VAL 523 Cb 0.06 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1h3a h VAL 523 CO -0.14 0.12 -0.17 -0.33 0.02 0.00 0.00 177.57 177.08 1h3a h GLU 524 N 0.30 0.00 0.00 1.57 5.08 -1.07 -2.57 114.58 117.89 1h3a h GLU 524 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1h3a h GLU 524 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1h3a h GLU 524 CO -0.01 0.17 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1h3a n GLN 525 N -3.51 0.41 0.00 2.33 6.02 -0.63 -3.30 117.38 118.70 1h3a n GLN 525 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1h3a n GLN 525 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1h3a n GLN 525 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1h3a n HIS 526 N -1.28 0.00 -2.11 1.08 8.25 -0.97 -5.00 115.22 115.19 1h3a n HIS 526 Ca 0.13 -0.46 -0.43 0.00 -0.26 0.00 0.00 57.72 56.70 1h3a n HIS 526 Cb 0.22 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 1h3a n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1h3a s GLN 527 N -0.92 3.42 0.99 -0.41 0.74 -1.20 -4.68 119.66 117.59 1h3a s GLN 527 Ca 0.00 1.29 -0.13 0.00 0.05 0.00 0.00 55.36 56.57 1h3a s GLN 527 Cb 0.00 -4.14 0.11 0.00 1.10 0.00 0.00 33.01 30.07 1h3a s GLN 527 CO 0.00 -1.75 0.64 0.09 -0.55 0.00 0.00 175.29 173.71 1h3a n ASN 528 N 9.79 -1.37 -0.34 6.67 3.02 -0.42 -4.84 115.26 127.77 1h3a n ASN 528 Ca 0.21 0.25 0.04 0.00 -0.03 0.00 0.00 54.58 55.04 1h3a n ASN 528 Cb 0.47 -1.26 0.19 0.00 -0.61 0.00 0.00 39.78 38.57 1h3a n ASN 528 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1h3a h PRO 529 N -1.85 0.96 0.00 3.52 0.11 -1.93 -1.12 132.00 131.68 1h3a h PRO 529 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h3a h PRO 529 Cb 1.29 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1h3a h PRO 529 CO 0.38 0.64 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 1h3a n ASP 530 N -4.62 0.00 0.00 -2.05 5.68 -1.26 -4.77 116.55 109.53 1h3a n ASP 530 Ca 0.16 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.96 1h3a n ASP 530 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1h3a n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3a n GLY 531 N -0.28 2.89 4.01 6.12 0.00 -0.42 -4.69 105.19 112.82 1h3a n GLY 531 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1h3a n GLY 531 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3a s GLY 532 N -1.67 1.87 -0.02 -0.02 0.00 -1.26 -2.92 107.32 103.31 1h3a s GLY 532 Ca 0.00 -1.69 0.03 0.00 0.00 0.00 0.00 44.72 43.07 1h3a s GLY 532 CO 0.00 -1.41 -0.11 -0.98 0.00 0.00 0.00 173.10 170.60 1h3a s TRP 533 N -2.54 2.79 -0.09 1.90 0.51 -1.26 -1.30 118.94 118.95 1h3a s TRP 533 Ca 0.57 -0.09 -0.14 0.00 -2.12 0.00 0.00 56.10 54.32 1h3a s TRP 533 Cb -0.09 -1.61 0.03 0.00 -0.81 0.00 0.00 33.47 30.99 1h3a s TRP 533 CO 0.36 0.29 0.35 0.20 -0.51 0.00 0.00 176.95 177.65 1h3a s GLY 534 N -1.12 -0.24 -0.22 0.98 0.00 -1.25 -1.66 107.32 103.82 1h3a s GLY 534 Ca 0.14 0.79 -0.04 0.00 0.00 0.00 0.00 44.72 45.62 1h3a s GLY 534 CO 0.04 0.62 0.22 1.85 0.00 0.00 0.00 173.10 175.84 1h3a s GLU 535 N -0.36 0.20 0.76 2.90 2.12 -1.25 -2.47 118.70 120.60 1h3a s GLU 535 Ca -0.05 0.12 -0.13 0.00 0.36 0.00 0.00 54.97 55.27 1h3a s GLU 535 Cb -0.03 -1.17 0.05 0.00 0.26 0.00 0.00 34.13 33.24 1h3a s GLU 535 CO 0.02 -0.72 1.13 0.34 -0.54 0.00 0.00 175.26 175.49 1h3a s ASP 536 N 2.31 4.32 0.25 -1.70 2.15 0.31 -4.75 116.67 119.56 1h3a s ASP 536 Ca 0.07 2.05 0.22 0.00 0.43 0.00 0.00 52.55 55.32 1h3a s ASP 536 Cb -0.16 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 40.88 1h3a s ASP 536 CO -0.16 -2.16 1.66 0.00 -0.17 0.00 0.00 175.17 174.34 1h3a n ARG 538 N -2.17 0.05 0.16 0.00 1.74 -1.26 -2.38 116.66 112.80 1h3a n ARG 538 Ca 0.01 0.43 0.11 0.00 -0.77 0.00 0.00 57.85 57.63 1h3a n ARG 538 Cb 0.17 -1.63 0.57 0.00 -1.02 0.00 0.00 32.46 30.55 1h3a n ARG 538 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1h3a n SER 539 N -1.74 0.55 0.04 0.55 3.41 -1.00 -0.29 113.62 115.14 1h3a n SER 539 Ca 0.01 0.75 -0.04 0.00 -0.26 0.00 0.00 58.87 59.33 1h3a n SER 539 Cb 0.10 -0.83 -0.10 0.00 -0.26 0.00 0.00 64.21 63.12 1h3a n SER 539 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1h3a h TYR 540 N 0.00 0.00 0.00 7.33 0.05 -1.76 -3.40 116.97 119.19 1h3a h TYR 540 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1h3a h TYR 540 Cb 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1h3a h TYR 540 CO 0.00 0.82 -1.03 0.39 -1.05 0.00 0.00 178.16 177.29 1h3a n GLU 541 N -3.11 0.51 -3.88 4.88 -0.58 -0.01 -4.82 120.64 113.63 1h3a n GLU 541 Ca -0.08 0.40 -0.36 0.00 -0.42 0.00 0.00 57.16 56.71 1h3a n GLU 541 Cb 0.92 -1.60 -0.13 0.00 -0.57 0.00 0.00 31.44 30.07 1h3a n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1h3a s ASP 542 N -6.18 4.94 0.27 1.62 2.15 0.60 -4.99 116.67 115.08 1h3a s ASP 542 Ca -0.24 -0.22 0.23 0.00 0.43 0.00 0.00 52.55 52.74 1h3a s ASP 542 Cb 0.05 -1.87 1.03 0.00 -0.30 0.00 0.00 42.92 41.83 1h3a s ASP 542 CO 0.38 0.00 1.69 -0.81 -0.17 0.00 0.00 175.17 176.26 1h3a n PRO 543 N 4.65 0.18 0.00 4.34 -0.04 -1.26 -2.45 135.00 140.42 1h3a n PRO 543 Ca -0.17 0.49 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 1h3a n PRO 543 Cb 0.51 -1.90 0.34 0.00 -0.04 0.00 0.00 33.50 32.42 1h3a n PRO 543 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h3a n ALA 544 N -1.77 1.74 0.74 0.55 0.00 -1.26 -1.94 120.51 118.56 1h3a n ALA 544 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1h3a n ALA 544 Cb 0.17 -1.25 0.13 0.00 0.00 0.00 0.00 19.45 18.50 1h3a n ALA 544 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h3a n TYR 545 N -1.47 0.16 -1.56 0.00 4.01 -1.02 -4.79 117.16 112.49 1h3a n TYR 545 Ca 0.04 -0.08 -0.38 0.00 -0.16 0.00 0.00 57.90 57.32 1h3a n TYR 545 Cb 0.17 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 1h3a n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h3a n ALA 546 N 1.36 1.01 -0.44 -0.72 0.00 -0.82 -0.15 120.51 120.75 1h3a n ALA 546 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1h3a n ALA 546 Cb 0.59 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.90 1h3a n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3a n GLY 547 N 5.97 0.74 3.63 0.00 0.00 -1.26 -5.06 105.19 109.21 1h3a n GLY 547 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1h3a n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3a s LYS 548 N -0.56 2.52 0.00 1.61 1.02 0.79 -4.61 119.74 120.50 1h3a s LYS 548 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1h3a s LYS 548 Cb 0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1h3a s LYS 548 CO 0.00 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.41 1h3a n GLY 549 N 1.13 4.12 3.66 -3.33 0.00 -1.03 -0.53 105.19 109.20 1h3a n GLY 549 Ca -0.14 -1.50 -0.45 0.00 0.00 0.00 0.00 46.02 43.94 1h3a n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3a n ALA 550 N -1.93 0.76 -1.77 4.61 0.00 -1.26 -3.77 120.51 117.15 1h3a n ALA 550 Ca 0.00 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 1h3a n ALA 550 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1h3a n ALA 550 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1h3a s SER 551 N 0.04 6.21 0.02 0.00 0.01 -1.26 -4.05 113.70 114.67 1h3a s SER 551 Ca 0.65 2.70 0.02 0.00 1.31 0.00 0.00 55.95 60.63 1h3a s SER 551 Cb -0.66 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 62.91 1h3a s SER 551 CO 0.54 -0.93 -0.06 0.42 0.41 0.00 0.00 173.24 173.62 1h3a s THR 552 N -1.26 0.42 0.25 1.44 -4.23 -0.66 -4.89 115.64 106.71 1h3a s THR 552 Ca 0.58 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1h3a s THR 552 Cb -0.39 -0.46 0.25 0.00 1.34 0.00 0.00 72.50 73.25 1h3a s THR 552 CO 0.50 -0.24 1.67 -0.65 -0.54 0.00 0.00 174.62 175.37 1h3a h PRO 553 N 5.04 0.24 0.52 3.99 0.11 -1.88 0.10 132.00 140.12 1h3a h PRO 553 Ca -0.32 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1h3a h PRO 553 Cb 1.20 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1h3a h PRO 553 CO 0.44 0.16 -0.25 0.66 -0.21 0.00 0.00 178.00 178.80 1h3a h SER 554 N 0.25 -0.59 -0.96 -2.05 4.64 -1.85 -2.15 113.55 110.83 1h3a h SER 554 Ca 0.45 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.96 1h3a h SER 554 Cb 0.79 0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 62.95 1h3a h SER 554 CO -0.55 -0.21 0.61 1.56 -0.87 0.00 0.00 176.83 177.36 1h3a h GLN 555 N -1.12 0.67 -0.60 4.77 4.20 -1.80 0.32 115.11 121.55 1h3a h GLN 555 Ca -0.07 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1h3a h GLN 555 Cb 0.53 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1h3a h GLN 555 CO 0.12 0.44 0.08 1.15 -0.67 0.00 0.00 178.83 179.95 1h3a h THR 556 N 0.69 1.25 -0.41 -0.54 2.02 -0.82 -1.89 112.91 113.22 1h3a h THR 556 Ca 0.52 -1.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 1h3a h THR 556 Cb 0.90 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1h3a h THR 556 CO -0.28 0.37 -0.07 0.00 0.37 0.00 0.00 175.52 175.91 1h3a h ALA 557 N 1.16 0.56 0.91 6.16 0.00 0.22 -1.57 119.26 126.71 1h3a h ALA 557 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1h3a h ALA 557 Cb 0.42 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1h3a h ALA 557 CO 0.01 0.40 -0.44 -1.49 0.00 0.00 0.00 179.25 177.74 1h3a h TRP 558 N 0.58 -1.14 -0.02 0.00 6.55 -0.72 -0.27 115.95 120.94 1h3a h TRP 558 Ca 0.11 -0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.93 1h3a h TRP 558 Cb 0.58 0.38 -0.00 0.00 -0.86 0.00 0.00 29.16 29.25 1h3a h TRP 558 CO 0.05 -0.70 0.09 0.00 -1.05 0.00 0.00 178.44 176.82 1h3a h ALA 559 N -1.16 1.21 0.08 1.49 0.00 -1.40 0.13 119.26 119.62 1h3a h ALA 559 Ca -0.13 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 1h3a h ALA 559 Cb 0.94 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.75 1h3a h ALA 559 CO 0.21 -0.10 -1.15 1.25 0.00 0.00 0.00 179.25 179.45 1h3a h LEU 560 N 0.00 0.75 -0.79 0.00 5.85 -0.56 -3.21 115.31 117.36 1h3a h LEU 560 Ca 0.01 -0.67 -0.12 0.00 0.84 0.00 0.00 57.88 57.94 1h3a h LEU 560 Cb 0.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1h3a h LEU 560 CO -0.00 1.49 -0.33 0.24 -0.34 0.00 0.00 178.44 179.50 1h3a h MET 561 N 0.26 0.53 -0.54 1.25 2.86 0.76 -1.73 114.93 118.33 1h3a h MET 561 Ca -0.15 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1h3a h MET 561 Cb 1.82 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.44 1h3a h MET 561 CO 0.21 0.79 0.36 0.00 1.06 0.00 0.00 176.91 179.34 1h3a h ALA 562 N 1.19 1.69 0.09 6.32 0.00 -1.43 0.71 119.26 127.83 1h3a h ALA 562 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1h3a h ALA 562 Cb 0.79 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1h3a h ALA 562 CO 0.06 0.26 -0.55 -0.07 0.00 0.00 0.00 179.25 178.96 1h3a h LEU 563 N 0.66 0.33 -1.44 0.00 3.38 -1.49 -2.28 115.31 114.47 1h3a h LEU 563 Ca 0.21 -0.95 0.03 0.00 0.09 0.00 0.00 57.88 57.27 1h3a h LEU 563 Cb 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1h3a h LEU 563 CO -0.05 1.25 0.41 0.40 0.09 0.00 0.00 178.44 180.54 1h3a h ILE 564 N -0.53 1.08 0.02 1.22 2.04 -1.02 -0.33 117.51 119.99 1h3a h ILE 564 Ca -0.09 -0.25 -0.25 0.00 1.00 0.00 0.00 64.86 65.27 1h3a h ILE 564 Cb 1.42 0.29 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1h3a h ILE 564 CO 0.10 0.13 -1.02 0.00 0.00 0.00 0.00 178.15 177.37 1h3a h ALA 565 N 1.64 0.25 0.00 1.87 0.00 -0.95 -3.12 119.26 118.95 1h3a h ALA 565 Ca 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1h3a h ALA 565 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h3a h ALA 565 CO -0.07 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1h3a n GLY 566 N 1.06 -0.89 0.58 0.00 0.00 -0.72 -4.84 105.19 100.39 1h3a n GLY 566 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1h3a n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3a n GLY 567 N 0.17 0.59 1.14 -0.02 0.00 -0.80 -4.86 105.19 101.41 1h3a n GLY 567 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1h3a n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3a n ARG 568 N -2.00 2.07 -0.00 1.61 1.74 -0.21 -4.25 116.66 115.61 1h3a n ARG 568 Ca 0.00 -1.09 0.07 0.00 -0.77 0.00 0.00 57.85 56.05 1h3a n ARG 568 Cb 0.00 -1.65 0.47 0.00 -1.02 0.00 0.00 32.46 30.25 1h3a n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h3a h ALA 569 N 2.36 1.82 -1.28 7.54 0.00 -1.75 -2.69 119.26 125.27 1h3a h ALA 569 Ca 0.07 -0.02 -0.80 0.00 0.00 0.00 0.00 54.91 54.17 1h3a h ALA 569 Cb 1.24 -0.13 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 1h3a h ALA 569 CO 0.25 0.12 0.96 -1.91 0.00 0.00 0.00 179.25 178.67 1h3a n GLU 570 N -4.48 5.12 -4.64 0.00 2.13 -1.26 -4.46 120.64 113.05 1h3a n GLU 570 Ca 0.04 -4.58 -0.30 0.00 0.66 0.00 0.00 57.16 52.99 1h3a n GLU 570 Cb 0.15 -2.44 -0.08 0.00 0.27 0.00 0.00 31.44 29.34 1h3a n GLU 570 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1h3a s SER 571 N -1.42 3.48 -0.01 4.31 0.15 -1.01 -5.03 113.70 114.16 1h3a s SER 571 Ca 0.41 -1.70 -0.15 0.00 0.70 0.00 0.00 55.95 55.21 1h3a s SER 571 Cb 0.22 0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 65.04 1h3a s SER 571 CO -0.16 -0.94 0.77 -0.08 1.20 0.00 0.00 173.24 174.04 1h3a h GLU 572 N 1.54 -0.51 -0.38 5.44 4.57 -1.93 -2.14 114.58 121.17 1h3a h GLU 572 Ca -0.39 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 57.94 1h3a h GLU 572 Cb 1.30 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1h3a h GLU 572 CO 0.64 -0.34 0.38 0.00 -1.18 0.00 0.00 179.01 178.51 1h3a h ALA 573 N -1.44 2.11 0.46 2.92 0.00 -1.97 0.91 119.26 122.25 1h3a h ALA 573 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1h3a h ALA 573 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1h3a h ALA 573 CO 0.09 -0.58 -0.22 0.00 0.00 0.00 0.00 179.25 178.54 1h3a h ALA 574 N 1.60 -0.75 0.00 0.00 0.00 -1.79 -2.42 119.26 115.90 1h3a h ALA 574 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1h3a h ALA 574 Cb 0.94 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1h3a h ALA 574 CO -0.00 -0.71 -0.03 -0.09 0.00 0.00 0.00 179.25 178.42 1h3a h ARG 575 N -0.94 0.00 0.31 0.00 2.43 -0.81 -2.41 114.38 112.97 1h3a h ARG 575 Ca -0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1h3a h ARG 575 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1h3a h ARG 575 CO 0.10 0.03 -0.15 0.00 -1.51 0.00 0.00 179.97 178.45 1h3a h ARG 576 N 0.00 -0.41 -0.86 0.20 2.47 -0.80 -2.03 114.38 112.94 1h3a h ARG 576 Ca -0.00 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1h3a h ARG 576 Cb 0.08 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 1h3a h ARG 576 CO 0.00 -0.19 0.57 0.78 0.56 0.00 0.00 179.97 181.69 1h3a h GLY 577 N -0.55 1.22 0.69 0.04 0.00 -0.95 -2.21 103.07 101.31 1h3a h GLY 577 Ca -0.04 -0.46 0.07 0.00 0.00 0.00 0.00 47.33 46.89 1h3a h GLY 577 CO 0.07 0.45 0.54 -2.08 0.00 0.00 0.00 176.54 175.52 1h3a h VAL 578 N 1.17 1.03 -0.75 4.60 2.07 -1.36 -1.22 116.25 121.79 1h3a h VAL 578 Ca 0.32 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1h3a h VAL 578 Cb -0.13 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.57 1h3a h VAL 578 CO -0.07 0.18 0.48 -0.61 0.02 0.00 0.00 177.57 177.56 1h3a h GLN 579 N 0.97 0.90 0.19 1.57 5.75 -0.74 -1.42 115.11 122.33 1h3a h GLN 579 Ca 0.39 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.84 1h3a h GLN 579 Cb 0.21 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1h3a h GLN 579 CO -0.19 0.59 -0.24 -0.92 -2.65 0.00 0.00 178.83 175.43 1h3a h TYR 580 N 0.93 -0.63 -0.98 3.99 5.03 -0.97 -0.32 116.97 124.02 1h3a h TYR 580 Ca 0.30 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.68 1h3a h TYR 580 Cb 0.02 0.25 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 1h3a h TYR 580 CO -0.04 -0.34 0.64 -0.07 -1.32 0.00 0.00 178.16 177.03 1h3a h LEU 581 N -0.48 1.02 -0.56 2.82 3.38 -1.12 0.10 115.31 120.46 1h3a h LEU 581 Ca 0.01 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1h3a h LEU 581 Cb 0.47 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1h3a h LEU 581 CO -0.08 0.66 -0.08 0.58 0.09 0.00 0.00 178.44 179.60 1h3a h VAL 582 N 1.16 1.27 0.07 1.22 2.07 -0.83 -2.93 116.25 118.27 1h3a h VAL 582 Ca 0.42 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1h3a h VAL 582 Cb 0.15 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1h3a h VAL 582 CO -0.16 0.44 -0.03 -0.33 0.02 0.00 0.00 177.57 177.51 1h3a h GLU 583 N 0.94 -0.09 0.00 1.57 5.08 -0.56 -3.30 114.58 118.22 1h3a h GLU 583 Ca 0.15 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1h3a h GLU 583 Cb 0.65 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1h3a h GLU 583 CO 0.05 0.27 0.08 0.25 -1.00 0.00 0.00 179.01 178.66 1h3a n THR 584 N -4.80 1.44 -1.83 1.13 -2.24 0.31 -4.71 114.28 103.58 1h3a n THR 584 Ca -0.05 0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 61.93 1h3a n THR 584 Cb 0.19 -1.58 0.03 0.00 -2.10 0.00 0.00 70.33 66.88 1h3a n THR 584 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1h3a s GLN 585 N -3.05 3.23 0.52 -0.78 0.74 -1.11 -4.75 119.66 114.45 1h3a s GLN 585 Ca -0.01 2.19 -0.04 0.00 0.05 0.00 0.00 55.36 57.56 1h3a s GLN 585 Cb 0.02 -2.29 -0.01 0.00 1.10 0.00 0.00 33.01 31.83 1h3a s GLN 585 CO 0.05 -1.11 0.80 1.03 -0.55 0.00 0.00 175.29 175.52 1h3a s ARG 586 N -2.87 3.15 0.26 1.67 0.52 -0.96 -4.96 118.95 115.77 1h3a s ARG 586 Ca 0.70 -0.08 -0.03 0.00 -0.52 0.00 0.00 55.73 55.81 1h3a s ARG 586 Cb -0.39 -2.39 0.45 0.00 0.52 0.00 0.00 34.95 33.14 1h3a s ARG 586 CO 0.47 -0.42 1.82 -1.35 0.02 0.00 0.00 175.30 175.83 1h3a h PRO 587 N 0.11 0.84 0.00 3.54 0.11 -1.95 0.97 132.00 135.62 1h3a h PRO 587 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1h3a h PRO 587 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1h3a h PRO 587 CO 0.60 0.55 0.00 -0.40 -0.21 0.00 0.00 178.00 178.55 1h3a n ASP 588 N -4.70 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.44 1h3a n ASP 588 Ca 0.15 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1h3a n ASP 588 Cb 0.30 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1h3a n ASP 588 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h3a n GLY 589 N 0.20 0.73 0.00 6.12 0.00 0.33 -4.66 105.19 107.92 1h3a n GLY 589 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1h3a n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3a n GLY 590 N -2.12 0.62 3.52 -0.02 0.00 -1.26 -3.87 105.19 102.06 1h3a n GLY 590 Ca 0.00 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 1h3a n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h3a s TRP 591 N 0.98 -0.66 0.25 1.61 0.51 -1.26 -2.27 118.94 118.11 1h3a s TRP 591 Ca 0.00 1.44 0.05 0.00 -2.12 0.00 0.00 56.10 55.47 1h3a s TRP 591 Cb 0.00 0.29 -0.03 0.00 -0.81 0.00 0.00 33.47 32.92 1h3a s TRP 591 CO 0.00 -0.44 0.38 -0.51 -0.51 0.00 0.00 176.95 175.87 1h3a s ASP 592 N -0.28 6.29 -0.41 2.95 1.01 -1.26 -4.77 116.67 120.19 1h3a s ASP 592 Ca -0.05 0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.28 1h3a s ASP 592 Cb -0.03 -1.81 0.20 0.00 1.01 0.00 0.00 42.92 42.28 1h3a s ASP 592 CO 0.04 -0.12 0.90 -0.70 0.21 0.00 0.00 175.17 175.51 1h3a s GLU 593 N -4.02 0.59 0.00 8.23 2.12 -1.26 -4.50 118.70 119.87 1h3a s GLU 593 Ca 0.35 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1h3a s GLU 593 Cb -0.09 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.29 1h3a s GLU 593 CO 0.30 -0.75 0.40 -0.35 -0.54 0.00 0.00 175.26 174.32 1h3a n PRO 594 N 3.10 0.60 -4.36 4.30 -0.04 -1.26 -4.72 135.00 132.61 1h3a n PRO 594 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 1h3a n PRO 594 Cb 0.61 -1.19 -0.13 0.00 -0.04 0.00 0.00 33.50 32.74 1h3a n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h3a s TYR 595 N -1.35 1.26 0.33 0.54 2.02 -1.26 -4.73 117.35 114.15 1h3a s TYR 595 Ca 0.00 -0.36 -0.26 0.00 -0.37 0.00 0.00 57.07 56.08 1h3a s TYR 595 Cb 0.00 -0.75 -0.09 0.00 -0.40 0.00 0.00 41.96 40.72 1h3a s TYR 595 CO 0.00 0.04 1.00 0.71 -1.57 0.00 0.00 175.55 175.73 1h3a s TYR 596 N -0.86 3.57 0.00 2.71 2.02 -1.26 -4.93 117.35 118.60 1h3a s TYR 596 Ca 0.02 1.74 0.00 0.00 -0.37 0.00 0.00 57.07 58.46 1h3a s TYR 596 Cb -0.08 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 1h3a s TYR 596 CO 0.01 -0.14 0.12 0.25 -1.57 0.00 0.00 175.55 174.22 1h3a n THR 597 N 0.54 0.00 -3.63 -0.71 -2.24 -1.25 -4.80 114.28 102.20 1h3a n THR 597 Ca 0.02 -0.35 -0.28 0.00 -2.27 0.00 0.00 64.05 61.17 1h3a n THR 597 Cb 0.49 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 1h3a n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h3a s GLY 598 N -0.46 1.85 -0.04 3.38 0.00 -0.84 -0.05 107.32 111.17 1h3a s GLY 598 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1h3a s GLY 598 CO 0.00 -0.69 -0.06 -1.59 0.00 0.00 0.00 173.10 170.76 1h3a s THR 599 N -1.89 0.62 -0.25 0.90 2.01 -1.25 -2.40 115.64 113.39 1h3a s THR 599 Ca 0.40 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 1h3a s THR 599 Cb -0.11 -0.62 -0.10 0.00 0.01 0.00 0.00 72.50 71.68 1h3a s THR 599 CO 0.29 0.24 -0.35 0.61 -0.69 0.00 0.00 174.62 174.71 1h3a n GLY 600 N 3.87 -0.46 2.68 4.40 0.00 -0.46 -4.11 105.19 111.11 1h3a n GLY 600 Ca -0.24 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1h3a n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3a s PHE 601 N -2.60 0.04 -0.53 1.61 0.08 0.18 -4.89 117.98 111.87 1h3a s PHE 601 Ca -0.35 0.25 -0.34 0.00 0.12 0.00 0.00 56.93 56.60 1h3a s PHE 601 Cb 0.12 -0.47 -0.14 0.00 -0.57 0.00 0.00 43.02 41.95 1h3a s PHE 601 CO 0.46 -0.23 2.33 -2.30 -0.10 0.00 0.00 175.22 175.38 1h3a n PRO 602 N 5.30 0.68 -1.51 0.24 -0.02 -1.26 -0.81 135.00 137.63 1h3a n PRO 602 Ca -0.04 0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.56 1h3a n PRO 602 Cb 0.50 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1h3a n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3a n GLY 603 N 6.60 0.44 2.02 -1.23 0.00 -1.26 -4.87 105.19 106.89 1h3a n GLY 603 Ca 0.48 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1h3a n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h3a n ASP 604 N 1.54 -0.36 -3.94 1.61 8.00 0.01 -4.95 116.55 118.46 1h3a n ASP 604 Ca -0.03 0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 1h3a n ASP 604 Cb 0.28 0.47 -0.17 0.00 -0.02 0.00 0.00 41.12 41.68 1h3a n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1h3a s PHE 605 N -2.00 1.25 -0.03 1.24 5.36 -0.79 -4.95 117.98 118.06 1h3a s PHE 605 Ca 0.00 -0.50 0.07 0.00 -0.96 0.00 0.00 56.93 55.53 1h3a s PHE 605 Cb 0.00 -1.02 -0.02 0.00 -0.34 0.00 0.00 43.02 41.65 1h3a s PHE 605 CO 0.00 -0.34 -0.23 0.71 -1.46 0.00 0.00 175.22 173.90 1h3a s TYR 606 N 1.17 2.11 0.30 10.12 2.02 -1.26 -0.64 117.35 131.17 1h3a s TYR 606 Ca -0.06 -0.46 0.09 0.00 -0.37 0.00 0.00 57.07 56.27 1h3a s TYR 606 Cb -0.14 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1h3a s TYR 606 CO -0.02 -0.08 0.03 -0.51 -1.57 0.00 0.00 175.55 173.40 1h3a s LEU 607 N -0.43 3.16 -0.32 -1.29 1.43 -1.01 -4.40 118.68 115.82 1h3a s LEU 607 Ca 0.06 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1h3a s LEU 607 Cb -0.10 -1.64 0.10 0.00 0.03 0.00 0.00 46.19 44.58 1h3a s LEU 607 CO 0.00 -0.11 0.11 -0.83 0.23 0.00 0.00 176.35 175.76 1h3a s GLY 608 N -3.72 1.12 -0.36 -3.19 0.00 0.07 -1.98 107.32 99.27 1h3a s GLY 608 Ca 0.33 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 1h3a s GLY 608 CO 0.20 1.62 1.15 -0.19 0.00 0.00 0.00 173.10 175.89 1h3a s TYR 609 N 1.48 2.93 0.16 1.90 1.51 -1.26 -2.09 117.35 121.99 1h3a s TYR 609 Ca 0.11 0.99 -0.16 0.00 -1.01 0.00 0.00 57.07 57.00 1h3a s TYR 609 Cb -0.18 -3.95 0.04 0.00 -0.11 0.00 0.00 41.96 37.76 1h3a s TYR 609 CO -0.22 -1.15 1.80 1.15 -1.11 0.00 0.00 175.55 176.02 1h3a h THR 610 N 5.93 1.05 0.00 -0.71 2.02 -1.83 -2.89 112.91 116.49 1h3a h THR 610 Ca -0.23 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1h3a h THR 610 Cb 1.07 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1h3a h THR 610 CO 1.06 0.09 -0.14 0.24 0.37 0.00 0.00 175.52 177.14 1h3a h MET 611 N 0.50 0.00 -0.96 6.66 2.86 -1.88 -3.09 114.93 119.02 1h3a h MET 611 Ca 0.16 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 58.05 1h3a h MET 611 Cb -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.53 1h3a h MET 611 CO -0.07 0.14 0.51 1.88 1.06 0.00 0.00 176.91 180.43 1h3a h TYR 612 N 0.00 0.85 0.00 -0.22 -1.99 -1.92 0.40 116.97 114.09 1h3a h TYR 612 Ca -0.00 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1h3a h TYR 612 Cb 0.25 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1h3a h TYR 612 CO 0.00 -0.03 0.00 0.07 -0.00 0.00 0.00 178.16 178.20 1h3a h ARG 613 N 0.46 0.00 0.00 4.88 0.11 -1.71 -3.15 114.38 114.96 1h3a h ARG 613 Ca 0.63 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.51 1h3a h ARG 613 Cb 1.26 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 1h3a h ARG 613 CO -0.53 0.00 -1.71 0.72 0.10 0.00 0.00 179.97 178.55 1h3a n HIS 614 N -2.34 0.00 0.00 4.08 8.25 0.10 -4.38 115.22 120.94 1h3a n HIS 614 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1h3a n HIS 614 Cb 0.21 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1h3a n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h3a n VAL 615 N -3.22 0.00 -0.23 1.59 0.31 0.10 -3.10 118.33 113.78 1h3a n VAL 615 Ca -0.24 1.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.37 1h3a n VAL 615 Cb 0.71 -2.26 0.07 0.00 -0.91 0.00 0.00 33.84 31.45 1h3a n VAL 615 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1h3a h PHE 616 N 0.00 -0.38 -0.92 3.52 0.04 -1.76 0.17 116.94 117.61 1h3a h PHE 616 Ca 0.00 0.06 0.20 0.00 2.80 0.00 0.00 57.97 61.03 1h3a h PHE 616 Cb 0.00 0.27 -0.07 0.00 2.20 0.00 0.00 35.95 38.35 1h3a h PHE 616 CO 0.17 -0.29 0.60 -1.35 -0.60 0.00 0.00 178.31 176.84 1h3a h PRO 617 N -0.01 0.45 -0.04 1.51 0.11 -1.73 0.41 132.00 132.70 1h3a h PRO 617 Ca 0.32 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.22 1h3a h PRO 617 Cb 0.50 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.52 1h3a h PRO 617 CO -0.70 0.30 -0.68 1.15 -0.21 0.00 0.00 178.00 177.85 1h3a h THR 618 N 0.46 1.37 -0.78 -1.15 2.02 -0.67 -2.65 112.91 111.50 1h3a h THR 618 Ca 0.49 -2.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 1h3a h THR 618 Cb 1.14 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 69.90 1h3a h THR 618 CO -0.21 0.61 0.47 0.25 0.37 0.00 0.00 175.52 177.01 1h3a h LEU 619 N 0.12 0.94 0.22 2.58 5.85 0.75 0.35 115.31 126.12 1h3a h LEU 619 Ca -0.07 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1h3a h LEU 619 Cb 1.36 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1h3a h LEU 619 CO 0.14 0.73 -0.11 0.00 -0.34 0.00 0.00 178.44 178.86 1h3a h ALA 620 N 1.25 -0.30 -0.08 1.25 0.00 -0.32 -1.17 119.26 119.88 1h3a h ALA 620 Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1h3a h ALA 620 Cb -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1h3a h ALA 620 CO -0.05 -0.64 -0.11 -0.07 0.00 0.00 0.00 179.25 178.37 1h3a h LEU 621 N -0.35 0.12 -0.40 0.00 3.38 -1.22 -1.20 115.31 115.63 1h3a h LEU 621 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1h3a h LEU 621 Cb 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1h3a h LEU 621 CO 0.05 0.25 0.14 1.23 0.09 0.00 0.00 178.44 180.20 1h3a h GLY 622 N 0.57 0.67 2.00 0.83 0.00 0.28 -1.30 103.07 106.12 1h3a h GLY 622 Ca 0.03 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1h3a h GLY 622 CO 0.02 0.36 -0.33 3.21 0.00 0.00 0.00 176.54 179.80 1h3a h ARG 623 N 0.51 0.00 -0.04 4.80 3.08 -0.82 -3.01 114.38 118.90 1h3a h ARG 623 Ca 0.13 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 1h3a h ARG 623 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1h3a h ARG 623 CO -0.01 0.33 -0.68 -0.92 -1.07 0.00 0.00 179.97 177.63 1h3a h TYR 624 N 0.00 0.24 0.00 3.04 3.20 -0.92 -2.42 116.97 120.10 1h3a h TYR 624 Ca -0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1h3a h TYR 624 Cb 1.03 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1h3a h TYR 624 CO 0.00 0.80 0.00 1.17 -1.64 0.00 0.00 178.16 178.49 1h3a n LYS 625 N -3.80 0.18 -0.02 1.82 4.81 -0.52 -3.09 118.16 117.55 1h3a n LYS 625 Ca -0.02 0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.31 1h3a n LYS 625 Cb 0.67 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.08 1h3a n LYS 625 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1h3a n GLN 626 N -1.40 0.70 0.27 1.64 1.13 -0.94 -2.24 117.38 116.54 1h3a n GLN 626 Ca 0.09 0.26 0.18 0.00 -1.94 0.00 0.00 57.00 55.60 1h3a n GLN 626 Cb 0.26 -1.73 0.91 0.00 0.11 0.00 0.00 30.24 29.79 1h3a n GLN 626 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1h3a h ALA 627 N 0.53 1.00 0.00 -1.58 0.00 -1.43 -3.32 119.26 114.46 1h3a h ALA 627 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1h3a h ALA 627 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1h3a h ALA 627 CO 0.08 0.00 -0.31 -0.89 0.00 0.00 0.00 179.25 178.13 1h3a n ILE 628 N -2.85 1.19 0.00 0.00 -0.00 -1.25 -5.04 119.36 111.40 1h3a n ILE 628 Ca -0.01 0.30 0.00 0.00 -0.00 0.00 0.00 62.75 63.04 1h3a n ILE 628 Cb 0.13 -1.78 0.00 0.00 -0.00 0.00 0.00 39.64 37.99 1h3a n ILE 628 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76