#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3b h TYR 11 N 0.00 0.00 -0.99 0.00 -0.00 -2.00 -3.26 116.97 110.71 1h3b h TYR 11 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 58.73 58.89 1h3b h TYR 11 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 36.73 36.57 1h3b h TYR 11 CO 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 178.16 177.79 1h3b n ALA 12 N -2.36 -0.08 -0.20 0.10 0.00 -1.26 0.43 120.51 117.14 1h3b n ALA 12 Ca -0.02 1.00 -0.07 0.00 0.00 0.00 0.00 53.44 54.35 1h3b n ALA 12 Cb 0.14 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.15 1h3b n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3b h ARG 13 N 0.00 0.81 -0.75 0.00 3.08 -1.98 0.32 114.38 115.85 1h3b h ARG 13 Ca 0.36 -0.10 0.12 0.00 0.07 0.00 0.00 59.98 60.43 1h3b h ARG 13 Cb 0.61 -0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 1h3b h ARG 13 CO -0.99 0.63 0.34 1.15 -1.07 0.00 0.00 179.97 180.04 1h3b h THR 14 N 0.78 0.74 -0.03 2.04 2.02 -0.21 0.30 112.91 118.55 1h3b h THR 14 Ca 0.20 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1h3b h THR 14 Cb 0.07 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1h3b h THR 14 CO -0.03 0.10 -0.04 0.25 0.37 0.00 0.00 175.52 176.17 1h3b h LEU 15 N 0.53 0.09 -1.56 2.58 6.46 0.24 -1.84 115.31 121.80 1h3b h LEU 15 Ca 0.40 -0.52 0.11 0.00 -0.12 0.00 0.00 57.88 57.75 1h3b h LEU 15 Cb 0.53 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1h3b h LEU 15 CO -0.34 0.59 0.45 0.44 -0.62 0.00 0.00 178.44 178.95 1h3b h ASP 16 N -0.41 0.44 -0.30 1.25 3.32 0.31 0.25 116.42 121.27 1h3b h ASP 16 Ca 0.00 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 1h3b h ASP 16 Cb 0.57 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1h3b h ASP 16 CO 0.01 0.26 -0.46 0.03 -1.72 0.00 0.00 179.24 177.35 1h3b h ARG 17 N 0.48 0.85 -0.66 3.56 3.08 -0.34 -2.22 114.38 119.14 1h3b h ARG 17 Ca 0.32 -0.51 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1h3b h ARG 17 Cb 0.58 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1h3b h ARG 17 CO -0.10 1.14 0.13 0.00 -1.07 0.00 0.00 179.97 180.07 1h3b h ALA 18 N 0.70 0.99 0.62 0.04 0.00 -0.24 -2.18 119.26 119.18 1h3b h ALA 18 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1h3b h ALA 18 Cb 1.06 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1h3b h ALA 18 CO 0.11 0.65 -0.30 0.28 0.00 0.00 0.00 179.25 179.99 1h3b h VAL 19 N 1.00 0.34 -1.03 0.00 2.07 -0.97 -1.88 116.25 115.78 1h3b h VAL 19 Ca 0.20 -0.18 0.26 0.00 0.82 0.00 0.00 66.70 67.81 1h3b h VAL 19 Cb 0.39 0.40 -0.12 0.00 -1.52 0.00 0.00 31.29 30.45 1h3b h VAL 19 CO 0.01 0.02 0.62 -0.33 0.02 0.00 0.00 177.57 177.91 1h3b h GLU 20 N -0.95 0.48 0.07 1.57 5.08 -1.31 -1.37 114.58 118.14 1h3b h GLU 20 Ca -0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1h3b h GLU 20 Cb 0.67 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1h3b h GLU 20 CO 0.14 0.31 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.51 1h3b h TYR 21 N 0.49 -0.09 -0.23 4.33 3.20 -1.10 -2.66 116.97 120.91 1h3b h TYR 21 Ca 0.65 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.55 1h3b h TYR 21 Cb 1.39 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.66 1h3b h TYR 21 CO -0.01 0.24 0.03 -0.07 -1.64 0.00 0.00 178.16 176.71 1h3b h LEU 22 N -0.42 -0.02 -2.02 2.82 3.38 -0.51 -1.02 115.31 117.51 1h3b h LEU 22 Ca -0.01 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.14 1h3b h LEU 22 Cb 0.37 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1h3b h LEU 22 CO 0.02 0.02 0.38 -0.07 0.09 0.00 0.00 178.44 178.88 1h3b h LEU 23 N 0.12 0.00 0.00 1.67 3.38 -1.29 0.16 115.31 119.34 1h3b h LEU 23 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 23 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1h3b h LEU 23 CO -0.15 0.00 -0.81 0.77 0.09 0.00 0.00 178.44 178.34 1h3b h SER 24 N 0.00 0.00 1.14 -0.43 4.64 -0.84 -3.22 113.55 114.84 1h3b h SER 24 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1h3b h SER 24 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1h3b h SER 24 CO -0.00 0.75 0.00 0.00 -0.87 0.00 0.00 176.83 176.71 1h3b s GLN 26 N -3.10 4.05 0.61 0.00 0.74 -0.97 -4.74 119.66 116.24 1h3b s GLN 26 Ca 0.10 2.05 -0.07 0.00 0.05 0.00 0.00 55.36 57.49 1h3b s GLN 26 Cb 0.13 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.48 1h3b s GLN 26 CO 0.52 -0.39 0.93 0.15 -0.55 0.00 0.00 175.29 175.95 1h3b s LYS 27 N -2.19 2.93 0.12 1.67 3.01 -0.03 -4.98 119.74 120.27 1h3b s LYS 27 Ca 0.56 0.09 -0.23 0.00 -1.01 0.00 0.00 55.97 55.38 1h3b s LYS 27 Cb -0.36 -2.23 -0.06 0.00 -1.01 0.00 0.00 37.83 34.18 1h3b s LYS 27 CO 0.46 -0.75 1.68 -0.44 0.51 0.00 0.00 175.35 176.81 1h3b h ASP 28 N -0.25 -0.42 0.00 2.83 5.19 -1.96 -1.07 116.42 120.74 1h3b h ASP 28 Ca -0.45 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1h3b h ASP 28 Cb 1.25 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1h3b h ASP 28 CO 0.61 -0.19 0.27 -0.33 -3.12 0.00 0.00 179.24 176.48 1h3b h GLU 29 N -0.22 0.00 0.00 3.56 3.07 -1.97 -3.44 114.58 115.58 1h3b h GLU 29 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1h3b h GLU 29 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1h3b h GLU 29 CO -0.16 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.86 1h3b n GLY 30 N -1.23 0.78 3.86 -3.84 0.00 -0.40 -4.76 105.19 99.60 1h3b n GLY 30 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1h3b n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h3b s TYR 31 N -2.00 2.90 0.06 1.61 -0.85 -1.26 -3.80 117.35 114.01 1h3b s TYR 31 Ca 0.00 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.29 1h3b s TYR 31 Cb 0.00 -1.82 -0.04 0.00 0.38 0.00 0.00 41.96 40.49 1h3b s TYR 31 CO 0.00 0.17 -0.06 -1.58 -1.52 0.00 0.00 175.55 172.56 1h3b s TRP 32 N -2.31 2.87 -0.33 -3.49 0.51 -1.26 -0.85 118.94 114.07 1h3b s TRP 32 Ca 0.41 -0.07 0.06 0.00 -2.12 0.00 0.00 56.10 54.39 1h3b s TRP 32 Cb -0.06 -1.53 0.19 0.00 -0.81 0.00 0.00 33.47 31.26 1h3b s TRP 32 CO 0.27 0.42 0.59 -0.46 -0.51 0.00 0.00 176.95 177.26 1h3b s TRP 33 N -1.16 -1.77 0.14 -1.98 -0.00 -1.26 -3.71 118.94 109.20 1h3b s TRP 33 Ca 0.21 0.75 -0.08 0.00 -0.00 0.00 0.00 56.10 56.97 1h3b s TRP 33 Cb -0.11 0.29 -0.06 0.00 -0.00 0.00 0.00 33.47 33.59 1h3b s TRP 33 CO 0.13 -1.11 0.44 0.20 -0.00 0.00 0.00 176.95 176.60 1h3b s GLY 34 N 2.46 2.30 0.59 5.86 0.00 -1.26 -5.00 107.32 112.28 1h3b s GLY 34 Ca 0.12 -0.39 -0.19 0.00 0.00 0.00 0.00 44.72 44.26 1h3b s GLY 34 CO -0.19 -0.23 1.22 -4.14 0.00 0.00 0.00 173.10 169.75 1h3b s PRO 35 N -2.36 2.96 -0.23 2.90 0.02 -1.26 -4.55 135.00 132.48 1h3b s PRO 35 Ca 0.39 1.86 -0.08 0.00 0.02 0.00 0.00 61.00 63.19 1h3b s PRO 35 Cb -0.13 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 1h3b s PRO 35 CO 0.21 -1.22 0.08 -1.17 -0.33 0.00 0.00 177.00 174.56 1h3b s LEU 36 N -4.06 3.61 -0.04 -5.54 2.96 -1.26 -3.06 118.68 111.29 1h3b s LEU 36 Ca 0.78 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1h3b s LEU 36 Cb -0.31 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1h3b s LEU 36 CO 0.34 0.03 0.21 -0.76 -1.32 0.00 0.00 176.35 174.85 1h3b s LEU 37 N 1.21 4.38 0.00 -0.68 2.01 -0.41 -4.45 118.68 120.74 1h3b s LEU 37 Ca 0.05 0.49 0.00 0.00 0.01 0.00 0.00 54.13 54.68 1h3b s LEU 37 Cb -0.14 -2.44 0.00 0.00 0.01 0.00 0.00 46.19 43.61 1h3b s LEU 37 CO 0.04 0.31 0.00 -1.54 1.01 0.00 0.00 176.35 176.17 1h3b n SER 38 N 1.41 0.00 -4.03 2.29 3.41 -1.26 0.27 113.62 115.70 1h3b n SER 38 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.37 1h3b n SER 38 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1h3b n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h3b s ASN 39 N 1.00 -0.03 0.00 4.04 2.20 -1.26 -4.77 114.94 116.11 1h3b s ASN 39 Ca 0.00 -1.01 0.08 0.00 -0.94 0.00 0.00 52.86 50.99 1h3b s ASN 39 Cb 0.00 0.53 0.48 0.00 -2.00 0.00 0.00 41.25 40.25 1h3b s ASN 39 CO 0.00 -1.05 1.02 1.33 -2.94 0.00 0.00 177.10 175.46 1h3b n VAL 40 N -0.34 0.28 0.26 3.54 0.24 -1.26 -2.96 118.33 118.09 1h3b n VAL 40 Ca -0.02 0.07 0.15 0.00 -2.04 0.00 0.00 64.34 62.50 1h3b n VAL 40 Cb 0.63 -0.94 0.67 0.00 -1.47 0.00 0.00 33.84 32.73 1h3b n VAL 40 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1h3b h THR 41 N 0.00 0.28 0.51 3.34 1.35 -1.97 0.56 112.91 116.98 1h3b h THR 41 Ca 0.00 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1h3b h THR 41 Cb 0.03 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1h3b h THR 41 CO 0.00 0.09 -0.24 0.24 -0.25 0.00 0.00 175.52 175.36 1h3b h MET 42 N 0.00 -0.66 -0.25 4.72 2.86 -1.88 -0.51 114.93 119.21 1h3b h MET 42 Ca -0.00 0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1h3b h MET 42 Cb 0.51 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1h3b h MET 42 CO 0.01 -0.35 -0.19 0.93 1.06 0.00 0.00 176.91 178.37 1h3b h GLU 43 N -1.01 0.43 -0.44 1.72 3.07 -1.76 -0.78 114.58 115.82 1h3b h GLU 43 Ca -0.07 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.59 1h3b h GLU 43 Cb 0.61 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1h3b h GLU 43 CO 0.11 0.61 0.02 0.00 -1.40 0.00 0.00 179.01 178.35 1h3b h ALA 44 N 1.41 0.59 -0.17 3.43 0.00 -0.88 -2.16 119.26 121.49 1h3b h ALA 44 Ca 0.07 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1h3b h ALA 44 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1h3b h ALA 44 CO 0.04 0.36 -0.53 0.93 0.00 0.00 0.00 179.25 180.04 1h3b h GLU 45 N 0.60 0.50 -0.59 0.00 5.08 -0.90 -2.72 114.58 116.55 1h3b h GLU 45 Ca 0.13 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1h3b h GLU 45 Cb 0.46 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1h3b h GLU 45 CO 0.02 0.91 0.32 -0.92 -1.00 0.00 0.00 179.01 178.33 1h3b h TYR 46 N 0.39 0.58 -0.34 4.33 5.03 -0.94 0.76 116.97 126.78 1h3b h TYR 46 Ca 0.01 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.36 1h3b h TYR 46 Cb 1.06 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.14 1h3b h TYR 46 CO 0.04 0.28 0.21 0.28 -1.32 0.00 0.00 178.16 177.65 1h3b h VAL 47 N 0.60 1.05 -0.29 1.81 2.07 -1.27 0.18 116.25 120.40 1h3b h VAL 47 Ca 0.26 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 1h3b h VAL 47 Cb 0.16 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1h3b h VAL 47 CO -0.17 0.08 -0.30 -0.07 0.02 0.00 0.00 177.57 177.13 1h3b h LEU 48 N 0.42 0.62 -0.09 2.57 3.38 -1.05 -2.09 115.31 119.08 1h3b h LEU 48 Ca 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1h3b h LEU 48 Cb -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1h3b h LEU 48 CO -0.06 0.88 0.06 0.25 0.09 0.00 0.00 178.44 179.66 1h3b h LEU 49 N 0.51 0.10 -0.98 1.67 5.85 0.12 -1.19 115.31 121.40 1h3b h LEU 49 Ca 0.06 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1h3b h LEU 49 Cb 0.78 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1h3b h LEU 49 CO 0.06 0.09 0.63 0.00 -0.34 0.00 0.00 178.44 178.88 1h3b h HIS 51 N 1.11 0.52 -0.26 0.00 -0.00 -0.90 1.00 115.15 116.62 1h3b h HIS 51 Ca 0.44 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.78 1h3b h HIS 51 Cb 0.22 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 1h3b h HIS 51 CO -0.01 0.41 0.13 0.82 -0.00 0.00 0.00 177.93 179.28 1h3b h ILE 52 N 0.49 1.14 0.00 6.26 2.04 -0.51 -2.33 117.51 124.61 1h3b h ILE 52 Ca 0.13 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1h3b h ILE 52 Cb 0.06 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1h3b h ILE 52 CO -0.02 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.45 1h3b n LEU 53 N -4.82 0.00 -3.80 1.44 4.77 -0.10 -4.89 117.00 109.61 1h3b n LEU 53 Ca -0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 1h3b n LEU 53 Cb 0.09 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1h3b n LEU 53 CO 0.35 0.00 0.07 -0.67 -1.33 0.00 0.00 177.39 175.81 1h3b n ASP 54 N -0.77 -3.83 -3.26 -1.43 -0.08 -0.38 -4.93 116.55 101.87 1h3b n ASP 54 Ca 0.12 -0.76 -0.25 0.00 -1.51 0.00 0.00 54.79 52.39 1h3b n ASP 54 Cb 0.05 -4.12 -0.08 0.00 2.34 0.00 0.00 41.12 39.32 1h3b n ASP 54 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1h3b n ARG 55 N -4.59 0.99 -3.64 -0.67 1.74 0.21 -5.03 116.66 105.67 1h3b n ARG 55 Ca -0.08 -3.49 -0.37 0.00 -0.77 0.00 0.00 57.85 53.15 1h3b n ARG 55 Cb 0.58 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.46 1h3b n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h3b s VAL 56 N -1.29 5.21 -0.49 1.55 1.01 -1.26 -4.77 120.40 120.37 1h3b s VAL 56 Ca 0.35 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 1h3b s VAL 56 Cb 0.15 -3.46 0.09 0.00 0.00 0.00 0.00 36.38 33.16 1h3b s VAL 56 CO -0.10 0.29 0.42 -0.62 0.00 0.00 0.00 175.10 175.09 1h3b s ASP 57 N 1.51 6.13 0.30 3.32 2.15 -1.26 -4.95 116.67 123.86 1h3b s ASP 57 Ca 0.07 -1.47 0.05 0.00 0.43 0.00 0.00 52.55 51.62 1h3b s ASP 57 Cb -0.15 -2.18 0.79 0.00 -0.30 0.00 0.00 42.92 41.08 1h3b s ASP 57 CO 0.08 -0.70 1.65 0.03 -0.17 0.00 0.00 175.17 176.06 1h3b h ARG 58 N 8.77 0.24 -0.68 4.34 2.47 -1.99 0.19 114.38 127.72 1h3b h ARG 58 Ca -0.28 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.44 1h3b h ARG 58 Cb 1.11 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.33 1h3b h ARG 58 CO 0.92 0.16 0.44 0.22 0.56 0.00 0.00 179.97 182.27 1h3b h ASP 59 N 0.25 0.75 -0.44 7.04 1.82 -2.01 -2.42 116.42 121.41 1h3b h ASP 59 Ca 0.59 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 57.14 1h3b h ASP 59 Cb 1.22 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1h3b h ASP 59 CO -0.64 0.53 -0.02 -0.09 -1.61 0.00 0.00 179.24 177.42 1h3b h ARG 60 N 0.89 0.80 -0.87 0.28 9.65 -1.09 -2.72 114.38 121.32 1h3b h ARG 60 Ca 0.26 -0.26 0.14 0.00 -1.10 0.00 0.00 59.98 59.02 1h3b h ARG 60 Cb -0.05 -0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.37 1h3b h ARG 60 CO -0.08 0.87 0.47 0.52 2.80 0.00 0.00 179.97 184.56 1h3b h MET 61 N 0.64 0.67 0.28 0.20 2.86 -0.93 -0.75 114.93 117.90 1h3b h MET 61 Ca 0.12 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1h3b h MET 61 Cb 0.52 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1h3b h MET 61 CO 0.03 0.45 -0.20 0.93 1.06 0.00 0.00 176.91 179.17 1h3b h GLU 62 N 0.69 -0.46 0.00 1.72 4.39 -1.15 0.16 114.58 119.94 1h3b h GLU 62 Ca 0.46 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.19 1h3b h GLU 62 Cb 0.61 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1h3b h GLU 62 CO -0.34 -0.31 -0.01 0.87 -1.16 0.00 0.00 179.01 178.07 1h3b h LYS 63 N -0.48 0.00 0.19 2.33 1.57 -1.08 -1.85 116.57 117.26 1h3b h LYS 63 Ca -0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 1h3b h LYS 63 Cb 0.41 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.75 1h3b h LYS 63 CO 0.00 0.01 -1.37 0.82 -0.57 0.00 0.00 179.45 178.35 1h3b h ILE 64 N 0.00 1.34 -0.08 1.86 2.04 -0.18 -1.48 117.51 121.01 1h3b h ILE 64 Ca -0.00 -2.73 -0.00 0.00 1.00 0.00 0.00 64.86 63.13 1h3b h ILE 64 Cb 0.03 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1h3b h ILE 64 CO 0.00 0.82 0.05 -0.09 0.00 0.00 0.00 178.15 178.93 1h3b h ARG 65 N 0.16 0.11 -0.57 2.37 2.43 -0.02 0.22 114.38 119.08 1h3b h ARG 65 Ca -0.21 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1h3b h ARG 65 Cb 2.06 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 31.52 1h3b h ARG 65 CO 0.25 0.10 0.17 0.00 -1.51 0.00 0.00 179.97 178.99 1h3b h ARG 66 N 0.09 0.32 -0.05 0.20 3.08 -1.44 -0.29 114.38 116.28 1h3b h ARG 66 Ca 0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1h3b h ARG 66 Cb 0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1h3b h ARG 66 CO -0.01 0.21 0.02 -0.92 -1.07 0.00 0.00 179.97 178.21 1h3b h TYR 67 N 0.33 0.08 0.29 3.04 3.20 -1.13 0.16 116.97 122.94 1h3b h TYR 67 Ca 0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1h3b h TYR 67 Cb 0.37 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1h3b h TYR 67 CO -0.19 0.18 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.12 1h3b h LEU 68 N -0.04 -0.86 -0.38 2.82 3.38 -0.08 -1.48 115.31 118.67 1h3b h LEU 68 Ca 0.02 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1h3b h LEU 68 Cb 0.13 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1h3b h LEU 68 CO -0.00 -0.44 0.05 -0.07 0.09 0.00 0.00 178.44 178.07 1h3b h LEU 69 N -0.64 -0.05 -1.57 1.67 -0.00 -1.02 -1.40 115.31 112.30 1h3b h LEU 69 Ca -0.01 0.07 0.15 0.00 -0.00 0.00 0.00 57.88 58.09 1h3b h LEU 69 Cb 0.60 0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.32 1h3b h LEU 69 CO -0.08 0.01 0.50 -0.74 -0.00 0.00 0.00 178.44 178.13 1h3b h HIS 70 N 0.16 0.50 0.00 1.13 2.76 -0.35 -1.77 115.15 117.59 1h3b h HIS 70 Ca 0.18 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1h3b h HIS 70 Cb 0.23 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1h3b h HIS 70 CO -0.22 0.19 -0.43 0.93 -1.30 0.00 0.00 177.93 177.11 1h3b h GLU 71 N 0.43 0.00 -7.13 5.26 4.39 -0.22 -3.46 114.58 113.84 1h3b h GLU 71 Ca 0.37 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.53 1h3b h GLU 71 Cb 0.82 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.61 1h3b h GLU 71 CO -0.12 0.00 0.45 -1.14 -1.16 0.00 0.00 179.01 177.04 1h3b s GLN 72 N -3.23 2.66 0.48 2.33 0.74 -0.67 -4.85 119.66 117.13 1h3b s GLN 72 Ca 0.05 1.83 0.08 0.00 0.05 0.00 0.00 55.36 57.36 1h3b s GLN 72 Cb 0.09 -1.89 0.02 0.00 1.10 0.00 0.00 33.01 32.33 1h3b s GLN 72 CO 0.71 -1.45 0.48 1.03 -0.55 0.00 0.00 175.29 175.50 1h3b s ARG 73 N -3.54 2.45 0.21 1.67 3.00 -0.09 -4.95 118.95 117.71 1h3b s ARG 73 Ca 0.77 -1.65 -0.18 0.00 0.00 0.00 0.00 55.73 54.67 1h3b s ARG 73 Cb -0.31 -2.39 0.20 0.00 0.00 0.00 0.00 34.95 32.44 1h3b s ARG 73 CO 0.38 -0.43 1.58 0.93 0.00 0.00 0.00 175.30 177.76 1h3b h GLU 74 N 0.77 -0.08 0.00 3.54 4.39 -1.96 0.72 114.58 121.96 1h3b h GLU 74 Ca -0.38 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1h3b h GLU 74 Cb 1.28 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1h3b h GLU 74 CO 0.53 -0.06 0.00 -0.40 -1.16 0.00 0.00 179.01 177.93 1h3b n ASP 75 N -5.46 0.00 0.00 1.42 5.68 -1.26 -4.82 116.55 112.11 1h3b n ASP 75 Ca 0.07 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.75 1h3b n ASP 75 Cb 0.38 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1h3b n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3b n GLY 76 N -0.98 0.54 3.77 6.12 0.00 0.25 -4.43 105.19 110.46 1h3b n GLY 76 Ca 0.02 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 1h3b n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h3b s THR 77 N -2.00 1.42 -0.00 2.61 -4.23 -1.25 -3.22 115.64 108.97 1h3b s THR 77 Ca 0.00 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1h3b s THR 77 Cb 0.00 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1h3b s THR 77 CO 0.00 0.00 -0.08 0.26 -0.54 0.00 0.00 174.62 174.26 1h3b s TRP 78 N -2.82 0.73 0.44 3.99 0.51 -1.26 -0.91 118.94 119.61 1h3b s TRP 78 Ca 0.17 -0.16 0.03 0.00 -2.12 0.00 0.00 56.10 54.01 1h3b s TRP 78 Cb 0.02 -0.47 0.03 0.00 -0.81 0.00 0.00 33.47 32.24 1h3b s TRP 78 CO 0.09 -0.01 0.21 0.00 -0.51 0.00 0.00 176.95 176.73 1h3b n ALA 79 N 2.80 0.57 -0.01 0.98 0.00 -1.26 -1.32 120.51 122.27 1h3b n ALA 79 Ca -0.14 -1.84 -0.20 0.00 0.00 0.00 0.00 53.44 51.27 1h3b n ALA 79 Cb 0.57 0.85 -0.14 0.00 0.00 0.00 0.00 19.45 20.74 1h3b n ALA 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h3b h LEU 80 N 0.00 0.30 -9.35 0.00 3.38 -1.90 -3.44 115.31 104.30 1h3b h LEU 80 Ca -0.31 -0.85 -0.60 0.00 0.09 0.00 0.00 57.88 56.21 1h3b h LEU 80 Cb 1.05 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 1h3b h LEU 80 CO 0.50 1.46 -0.71 -0.72 0.09 0.00 0.00 178.44 179.06 1h3b s TYR 81 N -2.41 2.41 0.08 1.13 1.13 -1.26 -4.52 117.35 113.91 1h3b s TYR 81 Ca -0.19 -0.35 -0.31 0.00 -1.41 0.00 0.00 57.07 54.81 1h3b s TYR 81 Cb 0.03 -1.15 -0.07 0.00 -1.10 0.00 0.00 41.96 39.67 1h3b s TYR 81 CO 0.75 0.65 1.42 -1.25 -2.51 0.00 0.00 175.55 174.61 1h3b s PRO 82 N -3.58 4.30 0.00 -3.49 0.04 -1.26 -2.30 135.00 128.71 1h3b s PRO 82 Ca 0.31 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1h3b s PRO 82 Cb -0.04 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1h3b s PRO 82 CO 0.17 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1h3b n GLY 83 N 3.58 0.50 3.68 0.56 0.00 -1.26 -4.82 105.19 107.44 1h3b n GLY 83 Ca 0.12 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 1h3b n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 84 N -2.95 2.04 0.42 -0.02 0.00 -0.97 -5.08 107.32 100.75 1h3b s GLY 84 Ca 0.00 -1.92 -0.26 0.00 0.00 0.00 0.00 44.72 42.54 1h3b s GLY 84 CO 0.00 -1.84 1.41 -1.55 0.00 0.00 0.00 173.10 171.12 1h3b n PRO 85 N -1.06 2.29 -1.68 2.90 -0.04 -1.26 -4.72 135.00 131.43 1h3b n PRO 85 Ca -0.03 0.81 -0.45 0.00 -0.04 0.00 0.00 63.50 63.79 1h3b n PRO 85 Cb 0.62 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 1h3b n PRO 85 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1h3b n PRO 86 N 0.07 2.14 -3.85 0.54 -0.04 -1.26 -4.53 135.00 128.06 1h3b n PRO 86 Ca 0.04 0.76 -0.35 0.00 -0.04 0.00 0.00 63.50 63.91 1h3b n PRO 86 Cb 0.40 -2.47 -0.10 0.00 -0.04 0.00 0.00 33.50 31.30 1h3b n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1h3b s ASP 87 N 0.50 5.80 0.06 3.54 -1.08 -0.43 -4.97 116.67 120.08 1h3b s ASP 87 Ca 0.71 0.08 -0.35 0.00 -0.52 0.00 0.00 52.55 52.47 1h3b s ASP 87 Cb -0.64 -2.02 -0.20 0.00 -1.46 0.00 0.00 42.92 38.60 1h3b s ASP 87 CO 0.46 0.13 1.55 0.25 0.52 0.00 0.00 175.17 178.07 1h3b h LEU 88 N 7.06 -0.97 -0.06 -1.34 5.85 -1.92 -2.28 115.31 121.65 1h3b h LEU 88 Ca -0.38 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.40 1h3b h LEU 88 Cb 1.17 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 1h3b h LEU 88 CO 0.69 -0.68 -0.52 0.44 -0.34 0.00 0.00 178.44 178.02 1h3b h ASP 89 N -1.18 -1.64 -0.75 1.25 3.32 -1.95 0.15 116.42 115.62 1h3b h ASP 89 Ca -0.12 0.19 0.16 0.00 0.02 0.00 0.00 57.03 57.28 1h3b h ASP 89 Cb 0.88 0.63 -0.10 0.00 0.22 0.00 0.00 39.33 40.96 1h3b h ASP 89 CO 0.19 -0.50 0.24 0.74 -1.72 0.00 0.00 179.24 178.20 1h3b h THR 90 N -0.62 0.57 -0.40 0.35 2.02 -1.88 -1.10 112.91 111.84 1h3b h THR 90 Ca 0.03 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 66.94 1h3b h THR 90 Cb 0.70 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1h3b h THR 90 CO -0.39 0.06 -0.32 0.74 0.37 0.00 0.00 175.52 175.98 1h3b h THR 91 N 0.35 1.27 0.16 3.16 2.02 -0.72 -1.40 112.91 117.75 1h3b h THR 91 Ca 0.42 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1h3b h THR 91 Cb 0.70 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1h3b h THR 91 CO -0.46 0.50 -0.08 0.40 0.37 0.00 0.00 175.52 176.25 1h3b h ILE 92 N 0.76 0.86 -0.91 3.11 2.04 0.17 0.27 117.51 123.82 1h3b h ILE 92 Ca 0.08 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1h3b h ILE 92 Cb 0.90 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1h3b h ILE 92 CO 0.08 0.02 0.58 -0.33 0.00 0.00 0.00 178.15 178.50 1h3b h GLU 93 N -0.25 1.21 -0.52 2.37 5.08 -1.22 0.43 114.58 121.69 1h3b h GLU 93 Ca -0.02 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1h3b h GLU 93 Cb 0.19 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1h3b h GLU 93 CO 0.04 0.82 -0.02 0.00 -1.00 0.00 0.00 179.01 178.85 1h3b h ALA 94 N 1.32 0.98 0.14 3.43 0.00 -0.99 0.39 119.26 124.54 1h3b h ALA 94 Ca 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1h3b h ALA 94 Cb -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1h3b h ALA 94 CO -0.07 0.62 -0.07 -0.92 0.00 0.00 0.00 179.25 178.81 1h3b h TYR 95 N 0.82 -0.18 -0.84 0.00 3.20 0.48 -1.10 116.97 119.35 1h3b h TYR 95 Ca 0.15 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1h3b h TYR 95 Cb 0.52 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1h3b h TYR 95 CO 0.03 -0.06 0.48 0.28 -1.64 0.00 0.00 178.16 177.26 1h3b h VAL 96 N -0.26 1.24 0.51 1.81 2.07 -0.75 -1.58 116.25 119.29 1h3b h VAL 96 Ca -0.02 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1h3b h VAL 96 Cb 0.20 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1h3b h VAL 96 CO 0.03 0.26 -0.39 0.00 0.02 0.00 0.00 177.57 177.49 1h3b h ALA 97 N 1.26 -0.92 -0.64 1.67 0.00 -0.69 -1.83 119.26 118.11 1h3b h ALA 97 Ca 0.30 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1h3b h ALA 97 Cb -0.01 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1h3b h ALA 97 CO -0.05 -1.05 0.30 -0.07 0.00 0.00 0.00 179.25 178.38 1h3b h LEU 98 N -0.89 0.38 -1.25 0.00 3.38 -1.04 -1.03 115.31 114.86 1h3b h LEU 98 Ca -0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1h3b h LEU 98 Cb 0.75 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1h3b h LEU 98 CO 0.01 0.23 0.30 0.50 0.09 0.00 0.00 178.44 179.57 1h3b h LYS 99 N 0.53 0.81 -0.08 1.13 3.64 -1.16 -2.24 116.57 119.21 1h3b h LYS 99 Ca 0.31 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1h3b h LYS 99 Cb 0.30 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1h3b h LYS 99 CO -0.25 0.62 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.62 1h3b h TYR 100 N 0.82 0.15 -0.21 1.91 3.20 -0.43 -2.73 116.97 119.68 1h3b h TYR 100 Ca 0.21 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1h3b h TYR 100 Cb 0.06 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1h3b h TYR 100 CO 0.01 0.42 0.27 0.82 -1.64 0.00 0.00 178.16 178.03 1h3b h ILE 101 N -0.16 0.36 0.00 1.81 2.04 -0.83 -3.45 117.51 117.28 1h3b h ILE 101 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1h3b h ILE 101 Cb 0.36 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1h3b h ILE 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1h3b n GLY 102 N -1.38 0.86 3.38 5.37 0.00 -0.88 -5.03 105.19 107.51 1h3b n GLY 102 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1h3b n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1h3b s MET 103 N 0.00 3.40 0.30 1.61 -1.94 -0.98 -5.01 119.30 116.67 1h3b s MET 103 Ca 0.00 -0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 53.01 1h3b s MET 103 Cb 0.00 -2.65 -0.12 0.00 2.01 0.00 0.00 34.83 34.07 1h3b s MET 103 CO 0.00 0.21 1.50 0.45 -0.01 0.00 0.00 175.02 177.17 1h3b n SER 104 N 3.54 3.46 0.00 3.03 2.88 -1.26 -4.45 113.62 120.81 1h3b n SER 104 Ca -0.18 1.17 0.05 0.00 -1.33 0.00 0.00 58.87 58.57 1h3b n SER 104 Cb 0.53 -1.55 0.25 0.00 -0.75 0.00 0.00 64.21 62.69 1h3b n SER 104 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1h3b n ARG 105 N 1.64 0.21 -0.06 -1.46 1.85 -1.26 -2.63 116.66 114.94 1h3b n ARG 105 Ca 0.08 0.10 -0.22 0.00 -1.00 0.00 0.00 57.85 56.81 1h3b n ARG 105 Cb 0.36 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.14 1h3b n ARG 105 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1h3b h ASP 106 N 0.00 0.17 -0.92 2.89 3.32 -1.95 -3.33 116.42 116.60 1h3b h ASP 106 Ca 0.00 -0.69 -0.63 0.00 0.02 0.00 0.00 57.03 55.73 1h3b h ASP 106 Cb 0.04 -0.06 0.09 0.00 0.22 0.00 0.00 39.33 39.63 1h3b h ASP 106 CO 0.00 1.62 -0.41 -0.62 -1.72 0.00 0.00 179.24 178.12 1h3b n GLU 107 N -4.08 0.00 -0.22 3.56 1.02 -1.08 -4.18 120.64 115.66 1h3b n GLU 107 Ca -0.31 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.77 1h3b n GLU 107 Cb 0.82 -0.99 -0.05 0.00 -0.02 0.00 0.00 31.44 31.20 1h3b n GLU 107 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h3b n GLU 108 N 0.99 -0.23 -0.18 3.49 4.07 -1.26 -0.80 120.64 126.72 1h3b n GLU 108 Ca 0.17 0.80 -0.03 0.00 -0.06 0.00 0.00 57.16 58.03 1h3b n GLU 108 Cb 0.21 -1.17 0.07 0.00 -0.06 0.00 0.00 31.44 30.48 1h3b n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1h3b h PRO 109 N 0.00 0.48 0.22 5.31 0.11 -1.96 -0.94 132.00 135.21 1h3b h PRO 109 Ca 0.08 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1h3b h PRO 109 Cb 0.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1h3b h PRO 109 CO -0.49 0.32 -0.10 0.52 -0.21 0.00 0.00 178.00 178.03 1h3b h MET 110 N 0.49 -0.28 -0.04 1.05 2.86 -1.26 -2.01 114.93 115.74 1h3b h MET 110 Ca 0.25 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.94 1h3b h MET 110 Cb 0.19 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1h3b h MET 110 CO -0.19 -0.15 -0.17 1.96 1.06 0.00 0.00 176.91 179.42 1h3b h GLN 111 N -0.34 -0.25 -0.29 1.72 1.08 -1.07 0.47 115.11 116.43 1h3b h GLN 111 Ca -0.03 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1h3b h GLN 111 Cb 0.26 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1h3b h GLN 111 CO 0.05 -0.17 0.09 0.87 -0.95 0.00 0.00 178.83 178.72 1h3b h LYS 112 N -0.26 0.21 0.28 1.46 1.57 -1.16 -1.28 116.57 117.39 1h3b h LYS 112 Ca 0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1h3b h LYS 112 Cb 0.35 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1h3b h LYS 112 CO -0.19 0.14 -0.14 0.00 -0.57 0.00 0.00 179.45 178.69 1h3b h ALA 113 N 1.19 -0.39 -0.70 3.86 0.00 -1.03 -2.61 119.26 119.58 1h3b h ALA 113 Ca 0.13 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1h3b h ALA 113 Cb 0.10 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1h3b h ALA 113 CO -0.14 -0.72 0.17 1.25 0.00 0.00 0.00 179.25 179.81 1h3b h LEU 114 N -0.39 0.03 -0.81 0.00 6.46 0.18 0.94 115.31 121.73 1h3b h LEU 114 Ca -0.04 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1h3b h LEU 114 Cb 0.30 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 1h3b h LEU 114 CO 0.06 -0.01 0.51 -0.09 -0.62 0.00 0.00 178.44 178.29 1h3b h ARG 115 N 0.28 1.09 -0.71 1.25 2.43 -1.01 -0.87 114.38 116.84 1h3b h ARG 115 Ca 0.38 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1h3b h ARG 115 Cb 0.62 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1h3b h ARG 115 CO -0.47 0.76 0.37 0.35 -1.51 0.00 0.00 179.97 179.47 1h3b h PHE 116 N 1.11 1.00 -0.24 2.20 3.57 -0.53 0.04 116.94 124.09 1h3b h PHE 116 Ca 0.29 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1h3b h PHE 116 Cb -0.07 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.31 1h3b h PHE 116 CO -0.01 0.72 -0.02 0.82 -2.23 0.00 0.00 178.31 177.60 1h3b h ILE 117 N 0.99 0.81 -0.31 1.41 1.08 -0.26 -2.98 117.51 118.24 1h3b h ILE 117 Ca 0.25 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 64.66 1h3b h ILE 117 Cb 0.07 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1h3b h ILE 117 CO -0.04 0.01 0.05 1.56 -0.69 0.00 0.00 178.15 179.04 1h3b h GLN 118 N 0.05 0.52 0.00 2.37 4.20 -0.70 -2.02 115.11 119.53 1h3b h GLN 118 Ca 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1h3b h GLN 118 Cb 0.16 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1h3b h GLN 118 CO -0.21 0.62 0.00 -1.13 -0.67 0.00 0.00 178.83 177.44 1h3b n SER 119 N -4.61 0.00 -0.05 1.46 3.41 -0.04 -1.03 113.62 112.76 1h3b n SER 119 Ca -0.02 -0.09 0.01 0.00 -0.26 0.00 0.00 58.87 58.51 1h3b n SER 119 Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1h3b n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h3b n GLN 120 N -0.81 2.61 0.00 4.33 1.13 -0.92 -4.97 117.38 118.75 1h3b n GLN 120 Ca 0.01 -0.34 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 1h3b n GLN 120 Cb 0.00 -0.84 0.00 0.00 0.11 0.00 0.00 30.24 29.52 1h3b n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h3b n GLY 121 N 0.57 1.07 7.00 1.08 0.00 -0.19 -4.39 105.19 110.34 1h3b n GLY 121 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1h3b n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 122 N -1.72 0.88 0.33 -0.02 0.00 -0.81 -3.49 105.19 100.36 1h3b n GLY 122 Ca 0.00 -0.81 0.27 0.00 0.00 0.00 0.00 46.02 45.48 1h3b n GLY 122 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1h3b n ILE 123 N 0.00 -0.42 0.13 -0.61 0.13 -0.34 -0.93 119.36 117.31 1h3b n ILE 123 Ca 0.00 2.07 0.05 0.00 -1.10 0.00 0.00 62.75 63.77 1h3b n ILE 123 Cb 0.00 -3.26 0.24 0.00 -0.84 0.00 0.00 39.64 35.78 1h3b n ILE 123 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1h3b n GLU 124 N -5.32 0.05 -0.17 9.51 -0.58 -1.23 -1.84 120.64 121.07 1h3b n GLU 124 Ca 0.34 0.51 0.11 0.00 -0.42 0.00 0.00 57.16 57.70 1h3b n GLU 124 Cb 1.14 -1.66 0.19 0.00 -0.57 0.00 0.00 31.44 30.54 1h3b n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1h3b n SER 125 N -1.77 3.33 -4.86 1.62 7.64 -0.11 -4.53 113.62 114.93 1h3b n SER 125 Ca 0.00 -1.96 -0.32 0.00 1.01 0.00 0.00 58.87 57.60 1h3b n SER 125 Cb 0.04 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 1h3b n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h3b s SER 126 N -1.45 6.70 1.05 6.43 1.04 -0.77 -4.59 113.70 122.11 1h3b s SER 126 Ca 0.36 1.13 -0.18 0.00 0.48 0.00 0.00 55.95 57.73 1h3b s SER 126 Cb 0.21 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 64.05 1h3b s SER 126 CO 0.30 -0.17 -0.14 -2.11 0.98 0.00 0.00 173.24 172.10 1h3b n ARG 127 N -0.34 -0.92 0.11 4.02 1.85 -1.26 -4.73 116.66 115.38 1h3b n ARG 127 Ca 0.02 -0.25 -0.12 0.00 -1.00 0.00 0.00 57.85 56.50 1h3b n ARG 127 Cb 0.53 -1.60 -0.06 0.00 -1.05 0.00 0.00 32.46 30.28 1h3b n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h3b h VAL 128 N -1.72 0.57 -0.52 8.89 2.07 -1.91 -3.07 116.25 120.56 1h3b h VAL 128 Ca -0.48 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.14 1h3b h VAL 128 Cb 1.34 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 1h3b h VAL 128 CO 0.34 0.00 -0.17 -0.26 0.02 0.00 0.00 177.57 177.50 1h3b h PHE 129 N -0.37 -0.38 -0.99 1.57 0.04 -1.90 0.14 116.94 115.05 1h3b h PHE 129 Ca 0.02 0.05 0.11 0.00 2.80 0.00 0.00 57.97 60.96 1h3b h PHE 129 Cb 0.38 0.25 -0.08 0.00 2.20 0.00 0.00 35.95 38.70 1h3b h PHE 129 CO -0.18 -0.26 0.63 1.15 -0.60 0.00 0.00 178.31 179.05 1h3b h THR 130 N -0.04 0.94 -0.00 -1.55 2.02 -1.88 0.48 112.91 112.87 1h3b h THR 130 Ca 0.25 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 1h3b h THR 130 Cb 0.42 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1h3b h THR 130 CO -0.56 0.18 -0.79 0.03 0.37 0.00 0.00 175.52 174.74 1h3b h ARG 131 N 0.98 0.05 -0.27 6.66 3.08 -1.08 -2.30 114.38 121.51 1h3b h ARG 131 Ca 0.48 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.33 1h3b h ARG 131 Cb 0.47 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1h3b h ARG 131 CO -0.24 0.82 -0.42 1.98 -1.07 0.00 0.00 179.97 181.04 1h3b h MET 132 N 0.03 0.75 -0.08 0.04 4.05 0.14 0.25 114.93 120.11 1h3b h MET 132 Ca -0.02 -0.45 -0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1h3b h MET 132 Cb 1.40 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.24 1h3b h MET 132 CO 0.11 1.08 0.04 -1.49 0.23 0.00 0.00 176.91 176.88 1h3b h TRP 133 N 0.50 0.12 -0.06 1.39 4.06 -0.16 -0.74 115.95 121.05 1h3b h TRP 133 Ca 0.02 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 1h3b h TRP 133 Cb 1.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1h3b h TRP 133 CO 0.08 0.21 0.00 -0.07 -3.56 0.00 0.00 178.44 175.10 1h3b h LEU 134 N -0.00 0.07 -0.39 -4.49 3.38 -1.33 -0.74 115.31 111.81 1h3b h LEU 134 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1h3b h LEU 134 Cb 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1h3b h LEU 134 CO -0.00 0.09 0.17 0.00 0.09 0.00 0.00 178.44 178.78 1h3b h ALA 135 N 1.92 0.51 -0.65 1.53 0.00 0.28 0.16 119.26 123.01 1h3b h ALA 135 Ca 0.02 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1h3b h ALA 135 Cb 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1h3b h ALA 135 CO -0.00 0.10 0.43 -0.07 0.00 0.00 0.00 179.25 179.71 1h3b h LEU 136 N 0.49 0.47 -2.06 0.00 3.38 0.32 -0.07 115.31 117.84 1h3b h LEU 136 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1h3b h LEU 136 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1h3b h LEU 136 CO -0.01 0.29 0.00 1.33 0.09 0.00 0.00 178.44 180.13 1h3b n VAL 137 N -4.48 0.54 -1.60 1.22 0.24 -1.10 0.70 118.33 113.84 1h3b n VAL 137 Ca 0.10 -0.69 -0.02 0.00 -2.04 0.00 0.00 64.34 61.69 1h3b n VAL 137 Cb 0.33 0.69 -0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1h3b n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h3b n GLY 138 N 1.43 0.40 1.48 7.63 0.00 -0.04 -3.14 105.19 112.94 1h3b n GLY 138 Ca 0.19 -0.88 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1h3b n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h3b n GLU 139 N -1.98 3.33 -3.65 1.61 -0.58 0.49 -4.93 120.64 114.94 1h3b n GLU 139 Ca -0.02 -3.03 -0.01 0.00 -0.42 0.00 0.00 57.16 53.67 1h3b n GLU 139 Cb 0.32 -2.04 -0.06 0.00 -0.57 0.00 0.00 31.44 29.09 1h3b n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1h3b s TYR 140 N -2.95 -0.29 0.07 -0.32 6.14 -1.24 -4.82 117.35 113.94 1h3b s TYR 140 Ca 0.49 0.61 -0.34 0.00 0.64 0.00 0.00 57.07 58.47 1h3b s TYR 140 Cb 0.40 0.25 -0.14 0.00 0.42 0.00 0.00 41.96 42.89 1h3b s TYR 140 CO 0.10 -0.14 1.65 -0.35 0.64 0.00 0.00 175.55 177.45 1h3b n PRO 141 N 3.01 2.04 -0.07 4.97 -0.04 -1.26 -4.27 135.00 139.39 1h3b n PRO 141 Ca -0.16 0.74 0.01 0.00 -0.04 0.00 0.00 63.50 64.04 1h3b n PRO 141 Cb 0.57 -2.52 0.30 0.00 -0.04 0.00 0.00 33.50 31.81 1h3b n PRO 141 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1h3b h TRP 142 N 6.80 0.67 0.00 0.54 4.06 -1.95 -2.62 115.95 123.45 1h3b h TRP 142 Ca -0.46 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1h3b h TRP 142 Cb 1.27 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1h3b h TRP 142 CO 0.70 0.52 0.00 -0.85 -3.56 0.00 0.00 178.44 175.25 1h3b n GLU 143 N -4.36 0.12 -0.16 0.49 0.00 -1.26 -1.80 120.64 113.67 1h3b n GLU 143 Ca 0.04 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.52 1h3b n GLU 143 Cb 0.14 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.32 1h3b n GLU 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1h3b n LYS 144 N -1.34 2.38 -4.00 3.44 5.02 -0.99 -4.89 118.16 117.78 1h3b n LYS 144 Ca 0.05 -2.08 -0.35 0.00 -2.02 0.00 0.00 58.31 53.91 1h3b n LYS 144 Cb 0.10 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 1h3b n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h3b s VAL 145 N -1.58 4.92 0.27 -0.18 1.01 -0.75 -5.06 120.40 119.04 1h3b s VAL 145 Ca 0.37 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1h3b s VAL 145 Cb 0.22 -3.19 -0.13 0.00 0.00 0.00 0.00 36.38 33.28 1h3b s VAL 145 CO 0.31 0.51 1.26 -2.65 0.00 0.00 0.00 175.10 174.53 1h3b n PRO 146 N 3.06 1.83 -3.67 2.72 -0.02 -1.26 -4.95 135.00 132.71 1h3b n PRO 146 Ca -0.17 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1h3b n PRO 146 Cb 0.53 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1h3b n PRO 146 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1h3b s MET 147 N -1.08 3.68 -0.21 -0.52 1.75 -1.26 -4.83 119.30 116.83 1h3b s MET 147 Ca 0.63 0.08 -0.04 0.00 -1.25 0.00 0.00 55.69 55.11 1h3b s MET 147 Cb -0.66 -3.09 0.07 0.00 2.84 0.00 0.00 34.83 33.99 1h3b s MET 147 CO 0.56 0.64 0.08 0.08 -0.65 0.00 0.00 175.02 175.73 1h3b s VAL 148 N -1.26 0.23 0.29 10.11 1.01 -1.26 -4.86 120.40 124.66 1h3b s VAL 148 Ca 0.27 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1h3b s VAL 148 Cb -0.14 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 1h3b s VAL 148 CO 0.15 -0.37 0.91 -2.16 0.00 0.00 0.00 175.10 173.62 1h3b s PRO 149 N 1.98 4.57 0.62 2.72 0.04 -1.26 -4.20 135.00 139.47 1h3b s PRO 149 Ca 0.03 1.28 0.35 0.00 0.04 0.00 0.00 61.00 62.70 1h3b s PRO 149 Cb -0.17 -2.89 2.03 0.00 0.04 0.00 0.00 34.50 33.52 1h3b s PRO 149 CO -0.15 0.34 2.29 -1.00 0.04 0.00 0.00 177.00 178.51 1h3b h PRO 150 N 3.37 0.00 -0.06 0.56 0.13 -1.91 -0.67 132.00 133.42 1h3b h PRO 150 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1h3b h PRO 150 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h3b h PRO 150 CO 0.65 0.01 0.09 0.93 -0.23 0.00 0.00 178.00 179.45 1h3b h GLU 151 N 0.00 0.00 0.00 0.86 3.07 -1.92 0.52 114.58 117.11 1h3b h GLU 151 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1h3b h GLU 151 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1h3b h GLU 151 CO 0.00 0.00 0.38 0.97 -1.40 0.00 0.00 179.01 178.96 1h3b h ILE 152 N 0.00 0.00 0.00 3.13 2.10 -1.50 0.44 117.51 121.68 1h3b h ILE 152 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.97 1h3b h ILE 152 Cb 0.20 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1h3b h ILE 152 CO -0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1h3b n MET 153 N -2.74 0.11 0.07 2.19 2.81 0.17 -3.00 117.12 116.73 1h3b n MET 153 Ca -0.02 0.38 0.02 0.00 -1.81 0.00 0.00 57.70 56.28 1h3b n MET 153 Cb 0.42 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 1h3b n MET 153 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1h3b h PHE 154 N 0.00 0.00 -2.01 2.03 0.04 -0.34 -3.46 116.94 113.20 1h3b h PHE 154 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 1h3b h PHE 154 Cb 0.27 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.45 1h3b h PHE 154 CO 0.00 0.47 1.01 1.28 -0.60 0.00 0.00 178.31 180.47 1h3b n LEU 155 N -2.94 3.23 -4.76 1.54 4.77 -1.16 -4.93 117.00 112.75 1h3b n LEU 155 Ca -0.05 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.63 1h3b n LEU 155 Cb 0.77 -1.35 0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1h3b n LEU 155 CO 0.42 -0.16 0.69 -0.83 -1.33 0.00 0.00 177.39 176.18 1h3b s GLY 156 N 3.40 1.63 0.30 -0.72 0.00 -1.26 -4.72 107.32 105.95 1h3b s GLY 156 Ca 0.91 -0.08 0.14 0.00 0.00 0.00 0.00 44.72 45.69 1h3b s GLY 156 CO 0.51 0.37 1.30 0.28 0.00 0.00 0.00 173.10 175.56 1h3b n LYS 157 N -3.66 -0.05 -3.62 2.90 5.02 -1.26 -2.47 118.16 115.01 1h3b n LYS 157 Ca 0.07 1.16 -0.33 0.00 -2.02 0.00 0.00 58.31 57.19 1h3b n LYS 157 Cb 0.55 -2.03 -0.07 0.00 -0.02 0.00 0.00 35.03 33.46 1h3b n LYS 157 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1h3b n ARG 158 N -4.94 2.57 -3.65 1.97 0.00 -1.26 -4.94 116.66 106.41 1h3b n ARG 158 Ca 0.29 -4.52 -0.12 0.00 -0.00 0.00 0.00 57.85 53.50 1h3b n ARG 158 Cb 0.97 -2.37 -0.08 0.00 -0.00 0.00 0.00 32.46 30.98 1h3b n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1h3b s MET 159 N -1.68 0.71 0.02 2.89 -1.94 -1.03 -5.11 119.30 113.16 1h3b s MET 159 Ca 0.29 0.98 -0.37 0.00 -1.71 0.00 0.00 55.69 54.88 1h3b s MET 159 Cb -0.02 0.27 -0.16 0.00 2.01 0.00 0.00 34.83 36.92 1h3b s MET 159 CO -0.10 -0.11 1.42 -0.35 -0.01 0.00 0.00 175.02 175.86 1h3b n PRO 160 N 3.33 1.16 -1.13 2.03 -0.04 -1.26 -1.74 135.00 137.35 1h3b n PRO 160 Ca -0.16 0.42 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1h3b n PRO 160 Cb 0.56 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 31.93 1h3b n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1h3b n LEU 161 N 3.08 -0.25 -4.78 1.53 4.77 -1.26 -5.03 117.00 115.06 1h3b n LEU 161 Ca 0.20 0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.93 1h3b n LEU 161 Cb 0.18 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 1h3b n LEU 161 CO 0.66 -0.30 0.75 0.54 -1.33 0.00 0.00 177.39 177.70 1h3b s ASN 162 N -2.70 6.57 0.40 -1.43 2.20 -0.71 -4.86 114.94 114.40 1h3b s ASN 162 Ca 0.00 2.06 0.10 0.00 -0.94 0.00 0.00 52.86 54.07 1h3b s ASN 162 Cb 0.00 -2.58 0.52 0.00 -2.00 0.00 0.00 41.25 37.19 1h3b s ASN 162 CO 0.00 -0.63 1.16 0.16 -2.94 0.00 0.00 177.10 174.86 1h3b h ILE 163 N 2.00 0.00 -0.31 0.54 3.07 -1.84 0.21 117.51 121.17 1h3b h ILE 163 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1h3b h ILE 163 Cb 1.22 0.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 1h3b h ILE 163 CO 0.61 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.49 1h3b n TYR 164 N -2.09 0.41 0.99 0.16 4.01 -1.26 -3.38 117.16 116.00 1h3b n TYR 164 Ca -0.01 -0.20 0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1h3b n TYR 164 Cb 0.53 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.51 1h3b n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h3b n GLU 165 N 0.64 0.71 -3.49 -0.72 1.02 0.73 -4.92 120.64 114.61 1h3b n GLU 165 Ca 0.15 -0.57 -0.27 0.00 -0.02 0.00 0.00 57.16 56.46 1h3b n GLU 165 Cb 0.37 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1h3b n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1h3b s PHE 166 N -2.69 3.49 0.63 -0.32 0.40 -1.22 -4.66 117.98 113.60 1h3b s PHE 166 Ca 0.14 0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 56.74 1h3b s PHE 166 Cb 0.17 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 1h3b s PHE 166 CO 0.70 0.24 1.14 0.20 0.70 0.00 0.00 175.22 178.19 1h3b s GLY 167 N -3.43 2.36 0.29 4.36 0.00 0.12 -4.64 107.32 106.38 1h3b s GLY 167 Ca 0.41 0.71 0.02 0.00 0.00 0.00 0.00 44.72 45.85 1h3b s GLY 167 CO 0.31 1.08 1.65 1.48 0.00 0.00 0.00 173.10 177.62 1h3b h SER 168 N 0.38 0.01 -0.20 1.64 4.64 -1.94 0.14 113.55 118.21 1h3b h SER 168 Ca -0.48 0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 60.95 1h3b h SER 168 Cb 1.26 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1h3b h SER 168 CO 0.54 -0.15 -0.14 4.11 -0.87 0.00 0.00 176.83 180.33 1h3b h TRP 169 N 0.21 0.66 0.09 4.77 0.09 -1.95 -3.15 115.95 116.67 1h3b h TRP 169 Ca 0.55 -0.11 -0.27 0.00 0.09 0.00 0.00 58.89 59.14 1h3b h TRP 169 Cb 1.10 -0.17 -0.01 0.00 0.08 0.00 0.00 29.16 30.16 1h3b h TRP 169 CO -0.26 0.71 -1.30 0.00 0.09 0.00 0.00 178.44 177.67 1h3b h ALA 170 N 1.31 0.24 0.00 0.11 0.00 -1.32 -3.32 119.26 116.28 1h3b h ALA 170 Ca 0.10 -0.99 0.02 0.00 0.00 0.00 0.00 54.91 54.04 1h3b h ALA 170 Cb 0.55 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1h3b h ALA 170 CO 0.04 1.12 -0.51 -0.09 0.00 0.00 0.00 179.25 179.80 1h3b h ARG 171 N 0.05 -0.63 -0.85 0.00 2.43 -0.79 0.16 114.38 114.75 1h3b h ARG 171 Ca -0.15 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1h3b h ARG 171 Cb 1.95 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 31.58 1h3b h ARG 171 CO 0.17 -0.42 0.54 0.00 -1.51 0.00 0.00 179.97 178.75 1h3b h ALA 172 N -0.33 1.14 -0.58 2.80 0.00 -1.72 -1.81 119.26 118.76 1h3b h ALA 172 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h3b h ALA 172 Cb 0.71 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1h3b h ALA 172 CO -0.35 0.35 0.31 1.15 0.00 0.00 0.00 179.25 180.70 1h3b h THR 173 N 1.03 1.19 -0.12 0.00 2.02 -1.49 -1.77 112.91 113.78 1h3b h THR 173 Ca 0.35 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1h3b h THR 173 Cb 0.06 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1h3b h THR 173 CO -0.13 0.21 0.08 0.58 0.37 0.00 0.00 175.52 176.63 1h3b h VAL 174 N 0.78 1.03 0.48 3.16 2.07 -0.08 -0.34 116.25 123.36 1h3b h VAL 174 Ca 0.20 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1h3b h VAL 174 Cb 0.06 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1h3b h VAL 174 CO -0.03 0.03 -0.31 0.58 0.02 0.00 0.00 177.57 177.86 1h3b h VAL 175 N 0.16 0.35 -0.60 2.57 2.07 -1.17 0.54 116.25 120.17 1h3b h VAL 175 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 1h3b h VAL 175 Cb -0.02 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.03 1h3b h VAL 175 CO -0.01 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.76 1h3b h ALA 176 N -0.32 0.75 -0.52 1.67 0.00 -1.26 -2.44 119.26 117.14 1h3b h ALA 176 Ca -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1h3b h ALA 176 Cb 0.63 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1h3b h ALA 176 CO 0.04 -0.25 0.23 -0.07 0.00 0.00 0.00 179.25 179.21 1h3b h LEU 177 N 0.33 0.70 -1.58 0.00 3.38 -0.70 -2.72 115.31 114.73 1h3b h LEU 177 Ca 0.31 -0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.36 1h3b h LEU 177 Cb 0.42 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1h3b h LEU 177 CO -0.35 0.66 0.62 0.77 0.09 0.00 0.00 178.44 180.23 1h3b h SER 178 N 0.70 0.33 -0.20 -0.43 4.64 -0.39 0.58 113.55 118.79 1h3b h SER 178 Ca 0.18 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1h3b h SER 178 Cb 0.16 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1h3b h SER 178 CO -0.02 0.12 -0.08 0.40 -0.87 0.00 0.00 176.83 176.38 1h3b h ILE 179 N 0.32 1.30 -0.19 0.95 1.08 -1.44 -1.66 117.51 117.87 1h3b h ILE 179 Ca 0.49 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1h3b h ILE 179 Cb 1.35 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 1h3b h ILE 179 CO -0.16 0.33 0.07 0.58 -0.69 0.00 0.00 178.15 178.28 1h3b h VAL 180 N 0.10 1.17 0.00 1.67 2.07 -0.26 -2.55 116.25 118.45 1h3b h VAL 180 Ca 0.05 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1h3b h VAL 180 Cb 0.55 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1h3b h VAL 180 CO 0.03 0.16 0.00 0.23 0.02 0.00 0.00 177.57 178.00 1h3b n MET 181 N -4.83 0.20 0.07 1.57 2.81 0.16 0.23 117.12 117.33 1h3b n MET 181 Ca -0.04 0.37 -0.17 0.00 -1.81 0.00 0.00 57.70 56.04 1h3b n MET 181 Cb 0.13 -1.84 -0.09 0.00 -0.71 0.00 0.00 33.22 30.71 1h3b n MET 181 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1h3b h SER 182 N 0.00 0.70 0.45 7.83 0.87 -0.90 -3.30 113.55 119.20 1h3b h SER 182 Ca 0.00 -0.59 -0.06 0.00 -1.23 0.00 0.00 61.79 59.91 1h3b h SER 182 Cb 0.45 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1h3b h SER 182 CO 0.00 1.40 -1.60 0.54 -0.53 0.00 0.00 176.83 176.64 1h3b n ARG 183 N -3.76 0.64 -3.71 2.24 5.12 -1.01 -5.01 116.66 111.17 1h3b n ARG 183 Ca -0.09 -0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.57 1h3b n ARG 183 Cb 0.90 -1.67 0.01 0.00 -1.16 0.00 0.00 32.46 30.53 1h3b n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1h3b n GLN 184 N -2.55 -1.60 -2.63 5.56 6.02 0.13 -4.93 117.38 117.39 1h3b n GLN 184 Ca -0.06 0.90 -0.29 0.00 -0.01 0.00 0.00 57.00 57.54 1h3b n GLN 184 Cb 0.66 -2.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.44 1h3b n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h3b s PRO 185 N -4.48 3.67 -0.08 -1.09 0.04 -1.26 -5.09 135.00 126.72 1h3b s PRO 185 Ca 0.06 0.42 -0.00 0.00 0.04 0.00 0.00 61.00 61.51 1h3b s PRO 185 Cb -0.01 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1h3b s PRO 185 CO 0.89 -0.17 -0.04 0.08 0.04 0.00 0.00 177.00 177.79 1h3b s VAL 186 N -2.62 0.63 -0.67 -0.36 1.01 -1.26 -4.56 120.40 112.57 1h3b s VAL 186 Ca 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1h3b s VAL 186 Cb -0.10 -0.71 0.17 0.00 0.00 0.00 0.00 36.38 35.74 1h3b s VAL 186 CO 0.39 0.29 0.48 -0.36 0.00 0.00 0.00 175.10 175.90 1h3b s PHE 187 N 1.57 3.47 0.23 5.22 0.08 0.22 -4.96 117.98 123.81 1h3b s PHE 187 Ca 0.00 -2.91 -0.30 0.00 0.12 0.00 0.00 56.93 53.85 1h3b s PHE 187 Cb -0.13 -3.10 -0.15 0.00 -0.57 0.00 0.00 43.02 39.06 1h3b s PHE 187 CO -0.04 -0.78 0.94 -2.30 -0.10 0.00 0.00 175.22 172.94 1h3b n PRO 188 N 3.06 0.96 -3.31 0.24 -0.02 -1.25 -4.16 135.00 130.51 1h3b n PRO 188 Ca 0.11 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.61 1h3b n PRO 188 Cb 0.36 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 1h3b n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h3b s LEU 189 N 1.06 4.13 0.75 2.45 1.43 -1.19 -5.02 118.68 122.29 1h3b s LEU 189 Ca 0.65 1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 54.65 1h3b s LEU 189 Cb -0.81 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 41.63 1h3b s LEU 189 CO 0.57 -0.12 1.18 -2.16 0.23 0.00 0.00 176.35 176.04 1h3b s PRO 190 N -2.89 2.08 0.17 1.29 0.04 -1.26 -4.80 135.00 129.64 1h3b s PRO 190 Ca 0.50 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 1h3b s PRO 190 Cb -0.11 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.72 1h3b s PRO 190 CO 0.20 -1.85 1.66 0.93 0.04 0.00 0.00 177.00 177.98 1h3b h GLU 191 N -0.52 0.01 0.00 4.56 5.08 -1.98 -1.82 114.58 119.91 1h3b h GLU 191 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1h3b h GLU 191 Cb 1.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1h3b h GLU 191 CO 0.49 0.00 0.55 0.07 -1.00 0.00 0.00 179.01 179.12 1h3b h ARG 192 N 0.01 0.00 -0.00 2.33 0.11 -1.99 -0.78 114.38 114.06 1h3b h ARG 192 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 1h3b h ARG 192 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1h3b h ARG 192 CO -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 179.97 179.61 1h3b n ALA 193 N -1.54 2.46 -1.73 0.08 0.00 -0.69 -4.95 120.51 114.14 1h3b n ALA 193 Ca -0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1h3b n ALA 193 Cb 0.56 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 1h3b n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h3b n ARG 194 N -0.06 2.37 -3.04 0.00 1.74 -0.30 -4.75 116.66 112.62 1h3b n ARG 194 Ca 0.01 0.83 -0.28 0.00 -0.77 0.00 0.00 57.85 57.63 1h3b n ARG 194 Cb 0.03 -2.48 -0.05 0.00 -1.02 0.00 0.00 32.46 28.95 1h3b n ARG 194 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1h3b n VAL 195 N 0.41 3.15 0.24 1.55 0.24 -1.26 -4.83 118.33 117.82 1h3b n VAL 195 Ca 0.03 -5.53 0.07 0.00 -2.04 0.00 0.00 64.34 56.87 1h3b n VAL 195 Cb 0.37 -1.59 0.58 0.00 -1.47 0.00 0.00 33.84 31.73 1h3b n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1h3b h PRO 196 N 3.39 0.00 0.00 7.34 0.13 -1.95 -2.67 132.00 138.24 1h3b h PRO 196 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1h3b h PRO 196 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1h3b h PRO 196 CO 0.86 0.10 0.00 -0.85 -0.23 0.00 0.00 178.00 177.88 1h3b n GLU 197 N -4.37 0.00 0.00 0.86 0.00 -1.26 -0.62 120.64 115.26 1h3b n GLU 197 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.24 1h3b n GLU 197 Cb 0.18 -1.03 0.01 0.00 0.00 0.00 0.00 31.44 30.60 1h3b n GLU 197 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1h3b n LEU 198 N -0.50 0.80 -0.08 -1.84 4.77 -1.01 -4.09 117.00 115.04 1h3b n LEU 198 Ca 0.00 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.58 1h3b n LEU 198 Cb 0.00 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1h3b n LEU 198 CO 0.00 0.19 -1.02 -1.22 -1.33 0.00 0.00 177.39 174.01 1h3b n TYR 199 N -1.53 0.25 -1.58 -1.77 4.01 0.21 -1.20 117.16 115.54 1h3b n TYR 199 Ca 0.04 0.09 -0.14 0.00 -0.16 0.00 0.00 57.90 57.73 1h3b n TYR 199 Cb 0.34 -1.04 -0.12 0.00 -0.31 0.00 0.00 39.34 38.21 1h3b n TYR 199 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1h3b s GLU 200 N -2.52 1.06 -0.04 -0.72 2.02 -1.24 -4.80 118.70 112.46 1h3b s GLU 200 Ca -0.11 -0.41 -0.23 0.00 0.02 0.00 0.00 54.97 54.24 1h3b s GLU 200 Cb 0.07 -4.97 0.05 0.00 0.10 0.00 0.00 34.13 29.38 1h3b s GLU 200 CO 0.81 -5.66 0.51 0.99 0.02 0.00 0.00 175.26 171.93 1h3b s THR 201 N 17.56 0.03 -0.19 3.63 2.01 -1.26 -4.90 115.64 132.52 1h3b s THR 201 Ca 0.82 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1h3b s THR 201 Cb -0.05 -0.82 -0.21 0.00 0.01 0.00 0.00 72.50 71.43 1h3b s THR 201 CO 0.19 -0.12 0.07 -0.90 -0.69 0.00 0.00 174.62 173.17 1h3b n ASP 202 N 1.14 1.80 -4.45 3.53 5.75 -1.26 -4.96 116.55 118.10 1h3b n ASP 202 Ca -0.20 0.04 -0.48 0.00 -0.01 0.00 0.00 54.79 54.14 1h3b n ASP 202 Cb 0.56 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1h3b n ASP 202 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1h3b n VAL 203 N -3.29 1.83 -2.48 2.12 0.31 -1.26 -4.86 118.33 110.70 1h3b n VAL 203 Ca -0.38 -0.46 -0.39 0.00 -0.01 0.00 0.00 64.34 63.10 1h3b n VAL 203 Cb 1.03 -0.24 -0.04 0.00 -0.91 0.00 0.00 33.84 33.68 1h3b n VAL 203 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1h3b s PRO 204 N -1.03 4.49 -0.06 5.55 0.04 -1.26 -4.51 135.00 138.21 1h3b s PRO 204 Ca 0.65 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1h3b s PRO 204 Cb -0.90 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 30.58 1h3b s PRO 204 CO 0.57 0.09 1.97 -1.25 0.04 0.00 0.00 177.00 178.42 1h3b s PRO 205 N -1.76 3.85 -1.15 0.56 0.04 -1.26 -4.61 135.00 130.67 1h3b s PRO 205 Ca 0.49 2.33 -0.07 0.00 0.04 0.00 0.00 61.00 63.78 1h3b s PRO 205 Cb -0.29 -4.19 0.26 0.00 0.04 0.00 0.00 34.50 30.32 1h3b s PRO 205 CO 0.37 -1.28 1.49 2.89 0.04 0.00 0.00 177.00 180.51 1h3b n ARG 206 N 7.83 3.98 -2.11 4.56 1.85 -1.26 -4.96 116.66 126.56 1h3b n ARG 206 Ca 0.22 -4.24 -0.41 0.00 -1.00 0.00 0.00 57.85 52.42 1h3b n ARG 206 Cb 0.43 -2.67 -0.02 0.00 -1.05 0.00 0.00 32.46 29.15 1h3b n ARG 206 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1h3b s ARG 207 N -1.32 4.33 -0.00 2.89 3.52 -1.26 -4.81 118.95 122.30 1h3b s ARG 207 Ca 0.34 2.20 -0.24 0.00 -0.13 0.00 0.00 55.73 57.90 1h3b s ARG 207 Cb 0.02 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.24 1h3b s ARG 207 CO 0.03 -0.29 0.74 0.50 -0.81 0.00 0.00 175.30 175.47 1h3b s ARG 208 N -0.77 4.46 0.59 5.12 3.52 -1.26 -5.07 118.95 125.54 1h3b s ARG 208 Ca 0.55 0.99 0.04 0.00 -0.13 0.00 0.00 55.73 57.19 1h3b s ARG 208 Cb -0.40 -3.40 0.07 0.00 -1.56 0.00 0.00 34.95 29.67 1h3b s ARG 208 CO 0.45 0.20 0.81 0.20 -0.81 0.00 0.00 175.30 176.15 1h3b s GLY 209 N 0.29 1.80 0.70 8.12 0.00 -1.26 -4.98 107.32 111.98 1h3b s GLY 209 Ca 0.38 -1.74 -0.16 0.00 0.00 0.00 0.00 44.72 43.20 1h3b s GLY 209 CO 0.21 -1.33 0.63 0.00 0.00 0.00 0.00 173.10 172.61 1h3b n ALA 210 N -2.38 -1.15 -0.51 3.20 0.00 -1.26 -4.69 120.51 113.71 1h3b n ALA 210 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1h3b n ALA 210 Cb 0.60 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1h3b n ALA 210 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h3b n LYS 211 N -0.85 0.00 -0.49 0.00 4.76 -0.90 -2.20 118.16 118.47 1h3b n LYS 211 Ca 0.11 0.73 -0.06 0.00 -2.87 0.00 0.00 58.31 56.21 1h3b n LYS 211 Cb 0.49 -1.22 0.11 0.00 -1.84 0.00 0.00 35.03 32.58 1h3b n LYS 211 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h3b n GLY 212 N -1.00 2.79 0.00 0.72 0.00 -0.06 -4.99 105.19 102.65 1h3b n GLY 212 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1h3b n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 213 N -0.06 0.14 3.31 -0.02 0.00 -0.93 -4.92 105.19 102.71 1h3b n GLY 213 Ca 0.22 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1h3b n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 214 N -1.18 1.68 0.44 -0.02 0.00 -1.26 -4.53 107.32 102.45 1h3b s GLY 214 Ca 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 44.72 43.18 1h3b s GLY 214 CO 0.00 0.52 1.15 -0.32 0.00 0.00 0.00 173.10 174.45 1h3b s GLY 215 N 1.47 2.79 0.54 0.20 0.00 -1.26 -4.87 107.32 106.19 1h3b s GLY 215 Ca 0.04 0.91 0.30 0.00 0.00 0.00 0.00 44.72 45.96 1h3b s GLY 215 CO -0.01 1.37 1.89 0.11 0.00 0.00 0.00 173.10 176.46 1h3b h TRP 216 N 2.25 0.00 0.73 1.90 5.08 -1.99 -2.63 115.95 121.29 1h3b h TRP 216 Ca -0.49 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.44 1h3b h TRP 216 Cb 1.24 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.41 1h3b h TRP 216 CO 0.54 0.00 -0.35 0.82 -1.28 0.00 0.00 178.44 178.17 1h3b h ILE 217 N 0.00 0.00 -0.84 0.12 2.04 -1.99 -0.95 117.51 115.89 1h3b h ILE 217 Ca 0.00 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.83 1h3b h ILE 217 Cb 0.34 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1h3b h ILE 217 CO 0.00 0.00 0.55 -0.26 0.00 0.00 0.00 178.15 178.44 1h3b h PHE 218 N -1.10 0.90 -0.69 1.37 0.04 -1.86 0.55 116.94 116.15 1h3b h PHE 218 Ca -0.10 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.71 1h3b h PHE 218 Cb 0.75 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1h3b h PHE 218 CO 0.03 0.44 0.45 0.22 -0.60 0.00 0.00 178.31 178.86 1h3b h ASP 219 N 0.86 0.77 -0.02 2.17 3.58 -1.43 0.30 116.42 122.66 1h3b h ASP 219 Ca 0.38 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.80 1h3b h ASP 219 Cb 0.33 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1h3b h ASP 219 CO -0.15 0.55 -0.05 0.00 -2.88 0.00 0.00 179.24 176.71 1h3b h ALA 220 N 1.27 0.03 -0.81 -0.78 0.00 0.44 -2.96 119.26 116.45 1h3b h ALA 220 Ca 0.26 -0.32 0.18 0.00 0.00 0.00 0.00 54.91 55.03 1h3b h ALA 220 Cb -0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.61 1h3b h ALA 220 CO -0.07 -0.13 0.30 1.25 0.00 0.00 0.00 179.25 180.59 1h3b h LEU 221 N -0.51 0.21 0.38 0.00 5.85 0.31 0.31 115.31 121.86 1h3b h LEU 221 Ca -0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1h3b h LEU 221 Cb 0.66 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1h3b h LEU 221 CO 0.01 0.02 -0.21 -0.78 -0.34 0.00 0.00 178.44 177.15 1h3b h ASP 222 N 0.38 -0.51 -0.98 1.25 3.58 -0.43 -0.24 116.42 119.48 1h3b h ASP 222 Ca 0.47 0.02 0.15 0.00 0.42 0.00 0.00 57.03 58.09 1h3b h ASP 222 Cb 0.81 0.14 -0.09 0.00 1.72 0.00 0.00 39.33 41.91 1h3b h ASP 222 CO -0.48 -0.34 0.61 0.03 -2.88 0.00 0.00 179.24 176.18 1h3b h ARG 223 N -0.55 0.81 0.83 0.28 3.08 -0.85 -0.09 114.38 117.88 1h3b h ARG 223 Ca -0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1h3b h ARG 223 Cb 0.44 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1h3b h ARG 223 CO 0.06 0.53 -0.48 0.00 -1.07 0.00 0.00 179.97 179.02 1h3b h ALA 224 N 1.59 -1.25 -1.01 0.04 0.00 0.18 -2.10 119.26 116.71 1h3b h ALA 224 Ca 0.51 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.37 1h3b h ALA 224 Cb 0.70 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1h3b h ALA 224 CO -0.28 -1.21 0.61 -0.07 0.00 0.00 0.00 179.25 178.29 1h3b h LEU 225 N -1.21 0.76 -1.39 0.00 3.38 0.50 0.57 115.31 117.92 1h3b h LEU 225 Ca -0.11 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 225 Cb 0.96 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1h3b h LEU 225 CO 0.13 0.23 -0.25 0.45 0.09 0.00 0.00 178.44 179.09 1h3b h HIS 226 N 0.72 0.00 0.02 1.13 3.86 -0.93 0.47 115.15 120.42 1h3b h HIS 226 Ca 0.60 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.77 1h3b h HIS 226 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1h3b h HIS 226 CO -0.00 0.25 -0.17 0.78 0.86 0.00 0.00 177.93 179.64 1h3b h GLY 227 N 1.45 0.08 1.96 2.45 0.00 0.66 -3.05 103.07 106.63 1h3b h GLY 227 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1h3b h GLY 227 CO 0.03 0.17 0.02 -1.82 0.00 0.00 0.00 176.54 174.94 1h3b h TYR 228 N -0.80 0.00 -0.24 5.60 3.20 -0.31 0.29 116.97 124.70 1h3b h TYR 228 Ca -0.03 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 1h3b h TYR 228 Cb 1.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1h3b h TYR 228 CO 0.24 0.00 -0.36 0.37 -1.64 0.00 0.00 178.16 176.77 1h3b h GLN 229 N 0.00 0.54 0.00 1.82 5.75 -0.90 -3.09 115.11 119.23 1h3b h GLN 229 Ca 0.01 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1h3b h GLN 229 Cb 0.04 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1h3b h GLN 229 CO -0.00 0.83 -0.16 0.87 -2.65 0.00 0.00 178.83 177.72 1h3b h LYS 230 N 0.46 0.00 -6.60 1.69 1.79 -0.31 -3.46 116.57 110.14 1h3b h LYS 230 Ca 0.05 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.10 1h3b h LYS 230 Cb 0.84 0.00 0.22 0.00 -1.58 0.00 0.00 32.23 31.71 1h3b h LYS 230 CO 0.07 0.16 -0.92 1.28 -1.08 0.00 0.00 179.45 178.96 1h3b n LEU 231 N -4.24 -2.13 -0.21 2.94 4.77 -1.17 -4.95 117.00 112.01 1h3b n LEU 231 Ca -0.02 -0.21 0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1h3b n LEU 231 Cb 0.23 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 1h3b n LEU 231 CO 0.35 -3.16 0.11 -0.24 -1.33 0.00 0.00 177.39 173.13 1h3b n SER 232 N -1.89 1.36 -3.59 -1.43 2.88 -1.26 -4.90 113.62 104.79 1h3b n SER 232 Ca 0.02 -1.18 -0.09 0.00 -1.33 0.00 0.00 58.87 56.29 1h3b n SER 232 Cb 0.58 0.75 -0.10 0.00 -0.75 0.00 0.00 64.21 64.70 1h3b n SER 232 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1h3b s VAL 233 N -2.54 -0.62 -0.44 2.46 -7.23 -1.26 -5.10 120.40 105.67 1h3b s VAL 233 Ca 0.12 0.13 -0.02 0.00 -1.81 0.00 0.00 61.98 60.39 1h3b s VAL 233 Cb 0.15 -0.67 0.12 0.00 0.56 0.00 0.00 36.38 36.53 1h3b s VAL 233 CO 0.65 0.03 0.23 -1.00 -0.31 0.00 0.00 175.10 174.71 1h3b s HIS 234 N 2.58 3.56 0.34 2.82 0.09 -1.26 -5.08 115.29 118.34 1h3b s HIS 234 Ca 0.02 -2.51 -0.29 0.00 -0.00 0.00 0.00 55.06 52.28 1h3b s HIS 234 Cb -0.13 -3.20 -0.12 0.00 -0.00 0.00 0.00 32.58 29.13 1h3b s HIS 234 CO -0.13 -0.95 1.39 -0.35 -0.00 0.00 0.00 174.74 174.70 1h3b n PRO 235 N 4.38 2.33 -1.29 8.40 -0.04 -1.26 -2.31 135.00 145.21 1h3b n PRO 235 Ca -0.00 0.82 -0.10 0.00 -0.04 0.00 0.00 63.50 64.18 1h3b n PRO 235 Cb 0.41 -2.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 1h3b n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h3b n PHE 236 N 0.71 0.00 0.12 0.54 3.72 -1.26 -4.86 117.46 116.43 1h3b n PHE 236 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 1h3b n PHE 236 Cb 0.36 -2.52 -0.14 0.00 -0.94 0.00 0.00 39.48 36.24 1h3b n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1h3b h ARG 237 N 0.05 0.55 -0.90 -1.08 2.43 -1.90 -2.41 114.38 111.12 1h3b h ARG 237 Ca -0.21 -0.84 0.08 0.00 -0.81 0.00 0.00 59.98 58.21 1h3b h ARG 237 Cb 1.06 0.30 -0.07 0.00 -0.42 0.00 0.00 29.97 30.84 1h3b h ARG 237 CO 0.30 1.39 0.55 -0.09 -1.51 0.00 0.00 179.97 180.62 1h3b h ARG 238 N 0.20 0.93 -0.50 0.20 2.43 -1.89 -0.19 114.38 115.55 1h3b h ARG 238 Ca -0.22 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 1h3b h ARG 238 Cb 2.04 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 31.36 1h3b h ARG 238 CO 0.25 0.61 0.24 0.00 -1.51 0.00 0.00 179.97 179.57 1h3b h ALA 239 N 1.45 0.64 -0.59 2.80 0.00 -1.95 -1.15 119.26 120.47 1h3b h ALA 239 Ca 0.41 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1h3b h ALA 239 Cb 0.29 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1h3b h ALA 239 CO -0.21 0.20 0.32 0.00 0.00 0.00 0.00 179.25 179.56 1h3b h ALA 240 N 1.08 0.77 0.75 0.00 0.00 -0.62 0.13 119.26 121.37 1h3b h ALA 240 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1h3b h ALA 240 Cb 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1h3b h ALA 240 CO -0.02 -0.00 -0.36 0.93 0.00 0.00 0.00 179.25 179.79 1h3b h GLU 241 N 0.61 -0.97 -0.82 0.00 5.08 -0.87 -2.32 114.58 115.28 1h3b h GLU 241 Ca 0.26 0.07 0.20 0.00 -1.00 0.00 0.00 59.36 58.88 1h3b h GLU 241 Cb 0.14 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1h3b h GLU 241 CO -0.16 -0.63 0.56 0.82 -1.00 0.00 0.00 179.01 178.60 1h3b h ILE 242 N -1.14 0.68 -0.04 3.13 2.04 -0.99 0.79 117.51 121.98 1h3b h ILE 242 Ca -0.10 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 1h3b h ILE 242 Cb 0.79 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1h3b h ILE 242 CO 0.17 0.05 -0.40 0.03 0.00 0.00 0.00 178.15 177.99 1h3b h ARG 243 N 0.26 0.09 0.01 2.37 3.08 -0.55 -0.26 114.38 119.37 1h3b h ARG 243 Ca 0.41 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.39 1h3b h ARG 243 Cb 1.21 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1h3b h ARG 243 CO -0.10 0.48 -0.12 0.00 -1.07 0.00 0.00 179.97 179.16 1h3b h ALA 244 N 1.52 0.00 -0.75 0.04 0.00 0.90 -2.33 119.26 118.65 1h3b h ALA 244 Ca 0.01 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1h3b h ALA 244 Cb 0.75 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1h3b h ALA 244 CO 0.06 0.00 0.40 1.25 0.00 0.00 0.00 179.25 180.96 1h3b h LEU 245 N -0.73 0.55 -0.62 0.00 5.85 -0.20 -1.33 115.31 118.83 1h3b h LEU 245 Ca -0.02 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1h3b h LEU 245 Cb 0.95 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1h3b h LEU 245 CO 0.02 0.32 -0.01 0.44 -0.34 0.00 0.00 178.44 178.88 1h3b h ASP 246 N 0.68 1.05 -1.00 1.25 3.32 -1.11 -1.18 116.42 119.44 1h3b h ASP 246 Ca 0.36 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1h3b h ASP 246 Cb 0.34 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1h3b h ASP 246 CO -0.25 1.10 0.65 -0.25 -1.72 0.00 0.00 179.24 178.78 1h3b h TRP 247 N 0.98 1.22 -0.02 4.55 7.01 -0.70 -1.17 115.95 127.82 1h3b h TRP 247 Ca 0.17 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1h3b h TRP 247 Cb 0.57 -0.40 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1h3b h TRP 247 CO 0.04 0.68 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.28 1h3b h LEU 248 N 1.24 0.05 -1.14 0.65 3.38 -0.98 -3.03 115.31 115.47 1h3b h LEU 248 Ca 0.41 -0.53 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1h3b h LEU 248 Cb 0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1h3b h LEU 248 CO -0.14 0.57 0.60 -0.07 0.09 0.00 0.00 178.44 179.49 1h3b h LEU 249 N -0.47 0.84 -1.32 1.67 3.38 -0.89 -0.83 115.31 117.70 1h3b h LEU 249 Ca 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1h3b h LEU 249 Cb 0.56 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1h3b h LEU 249 CO 0.01 0.47 -0.12 -0.33 0.09 0.00 0.00 178.44 178.56 1h3b h GLU 250 N 0.91 0.31 -0.10 1.13 5.08 -1.21 -3.27 114.58 117.44 1h3b h GLU 250 Ca 0.45 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1h3b h GLU 250 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1h3b h GLU 250 CO -0.21 0.44 0.00 0.54 -1.00 0.00 0.00 179.01 178.78 1h3b n ARG 251 N -4.26 1.87 -1.61 2.33 1.74 -0.38 -5.00 116.66 111.36 1h3b n ARG 251 Ca -0.00 -1.78 -0.48 0.00 -0.77 0.00 0.00 57.85 54.82 1h3b n ARG 251 Cb 0.28 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 1h3b n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1h3b n GLN 252 N 1.14 1.48 -1.55 5.56 7.27 -0.84 -4.70 117.38 125.74 1h3b n GLN 252 Ca 0.13 0.53 -0.30 0.00 0.07 0.00 0.00 57.00 57.43 1h3b n GLN 252 Cb 0.50 -2.11 0.10 0.00 2.41 0.00 0.00 30.24 31.14 1h3b n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1h3b s ALA 253 N 0.05 2.17 0.24 1.69 0.00 0.64 -4.92 121.76 121.63 1h3b s ALA 253 Ca 0.74 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 1h3b s ALA 253 Cb -0.80 -3.10 0.40 0.00 0.00 0.00 0.00 23.12 19.63 1h3b s ALA 253 CO 0.49 -1.82 1.80 0.78 0.00 0.00 0.00 175.76 177.02 1h3b h GLY 254 N -1.16 1.27 0.65 0.00 0.00 -1.85 -0.82 103.07 101.17 1h3b h GLY 254 Ca -0.48 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1h3b h GLY 254 CO 0.60 0.11 0.00 2.09 0.00 0.00 0.00 176.54 179.34 1h3b n ASP 255 N -4.76 0.00 0.00 0.19 5.68 -1.25 -4.85 116.55 111.56 1h3b n ASP 255 Ca 0.14 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1h3b n ASP 255 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1h3b n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3b n GLY 256 N 0.71 0.64 0.00 6.12 0.00 -0.31 -4.16 105.19 108.19 1h3b n GLY 256 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1h3b n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h3b n SER 257 N 0.00 0.00 -3.53 1.61 3.41 -1.26 -3.98 113.62 109.88 1h3b n SER 257 Ca 0.00 -0.78 -0.28 0.00 -0.26 0.00 0.00 58.87 57.55 1h3b n SER 257 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1h3b n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1h3b s TRP 258 N 0.32 0.25 0.00 7.33 0.51 -1.26 -0.26 118.94 125.83 1h3b s TRP 258 Ca 0.00 -0.81 0.00 0.00 -2.12 0.00 0.00 56.10 53.17 1h3b s TRP 258 Cb 0.00 -0.86 0.00 0.00 -0.81 0.00 0.00 33.47 31.80 1h3b s TRP 258 CO 0.00 -0.84 0.00 0.41 -0.51 0.00 0.00 176.95 176.01 1h3b n GLY 259 N 5.26 1.89 2.27 0.98 0.00 -1.26 -3.76 105.19 110.57 1h3b n GLY 259 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1h3b n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 260 N -2.00 1.00 3.29 -0.02 0.00 -1.26 -5.00 105.19 101.19 1h3b n GLY 260 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1h3b n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h3b s ILE 261 N -2.38 1.67 0.09 -0.61 -4.36 -1.25 -4.37 121.20 110.00 1h3b s ILE 261 Ca 0.00 -1.68 -0.32 0.00 -0.26 0.00 0.00 60.65 58.39 1h3b s ILE 261 Cb 0.00 -1.62 -0.14 0.00 1.25 0.00 0.00 42.46 41.95 1h3b s ILE 261 CO 0.00 -0.20 1.60 -0.61 0.24 0.00 0.00 174.94 175.96 1h3b h GLN 262 N 3.73 -0.77 0.00 0.37 -0.00 -1.67 -3.24 115.11 113.54 1h3b h GLN 262 Ca -0.44 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 1h3b h GLN 262 Cb 1.19 0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.85 1h3b h GLN 262 CO 0.45 -0.52 0.00 -2.30 0.00 0.00 0.00 178.83 176.46 1h3b n PRO 263 N -5.49 0.00 -0.36 -2.39 -0.02 -1.26 -1.06 135.00 124.41 1h3b n PRO 263 Ca -0.10 0.74 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1h3b n PRO 263 Cb 0.39 -1.36 0.22 0.00 -0.02 0.00 0.00 33.50 32.74 1h3b n PRO 263 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h3b h PRO 264 N 0.00 0.99 0.08 0.52 0.13 -1.83 -1.25 132.00 130.64 1h3b h PRO 264 Ca 0.00 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1h3b h PRO 264 Cb 0.00 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 30.86 1h3b h PRO 264 CO 0.00 0.65 -0.37 2.35 -0.23 0.00 0.00 178.00 180.40 1h3b h TRP 265 N 1.02 -1.03 -0.57 1.56 2.91 -1.52 0.59 115.95 118.90 1h3b h TRP 265 Ca 0.48 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.55 1h3b h TRP 265 Cb 0.43 0.44 -0.03 0.00 -0.51 0.00 0.00 29.16 29.49 1h3b h TRP 265 CO -0.01 -0.47 0.36 0.74 -1.03 0.00 0.00 178.44 178.03 1h3b h PHE 266 N -0.58 0.67 -0.33 2.65 -1.00 -0.49 -1.81 116.94 116.05 1h3b h PHE 266 Ca 0.04 0.02 -0.16 0.00 2.81 0.00 0.00 57.97 60.68 1h3b h PHE 266 Cb 0.63 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 1h3b h PHE 266 CO -0.35 0.39 -0.41 1.88 -1.61 0.00 0.00 178.31 178.22 1h3b h TYR 267 N 0.71 1.04 -0.81 -0.55 0.05 -0.92 -2.18 116.97 114.32 1h3b h TYR 267 Ca 0.22 -0.33 0.03 0.00 0.05 0.00 0.00 58.73 58.70 1h3b h TYR 267 Cb -0.01 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 1h3b h TYR 267 CO -0.05 1.14 0.53 0.00 -1.05 0.00 0.00 178.16 178.73 1h3b h ALA 268 N 0.72 1.49 -0.54 3.88 0.00 0.34 0.39 119.26 125.54 1h3b h ALA 268 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1h3b h ALA 268 Cb 1.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1h3b h ALA 268 CO 0.10 0.43 0.08 -0.07 0.00 0.00 0.00 179.25 179.79 1h3b h LEU 269 N 1.02 0.87 -0.47 0.00 3.38 -1.12 -0.69 115.31 118.30 1h3b h LEU 269 Ca 0.32 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1h3b h LEU 269 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1h3b h LEU 269 CO -0.09 0.91 -0.13 0.40 0.09 0.00 0.00 178.44 179.63 1h3b h ILE 270 N 0.79 1.27 -0.32 1.22 2.04 -0.63 -1.86 117.51 120.02 1h3b h ILE 270 Ca 0.16 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1h3b h ILE 270 Cb 0.42 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1h3b h ILE 270 CO 0.01 0.43 0.11 0.00 0.00 0.00 0.00 178.15 178.71 1h3b h ALA 271 N 0.88 0.37 -0.54 1.87 0.00 -0.00 0.17 119.26 122.00 1h3b h ALA 271 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1h3b h ALA 271 Cb 0.68 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1h3b h ALA 271 CO 0.05 -0.28 0.34 -0.07 0.00 0.00 0.00 179.25 179.29 1h3b h LEU 272 N 0.25 0.64 -1.21 0.00 3.38 -0.98 -1.40 115.31 116.00 1h3b h LEU 272 Ca 0.14 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1h3b h LEU 272 Cb 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1h3b h LEU 272 CO -0.14 0.49 0.55 0.50 0.09 0.00 0.00 178.44 179.92 1h3b h LYS 273 N 0.73 1.01 -0.68 1.13 1.63 -0.79 -1.43 116.57 118.18 1h3b h LYS 273 Ca 0.20 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1h3b h LYS 273 Cb -0.05 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.32 1h3b h LYS 273 CO -0.04 0.67 0.33 0.82 -3.45 0.00 0.00 179.45 177.78 1h3b h ILE 274 N 1.04 1.23 -0.06 2.00 1.08 0.04 -2.15 117.51 120.68 1h3b h ILE 274 Ca 0.33 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1h3b h ILE 274 Cb 0.01 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 1h3b h ILE 274 CO -0.09 0.26 0.00 0.18 -0.69 0.00 0.00 178.15 177.81 1h3b n LEU 275 N -4.46 0.89 -3.44 1.44 4.77 -0.66 -4.87 117.00 110.67 1h3b n LEU 275 Ca 0.05 -0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 55.34 1h3b n LEU 275 Cb 0.12 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1h3b n LEU 275 CO 0.38 0.19 0.13 0.47 -1.33 0.00 0.00 177.39 177.23 1h3b n ASP 276 N -0.12 -5.92 -1.95 -1.43 9.92 -0.81 -4.92 116.55 111.32 1h3b n ASP 276 Ca 0.02 -0.48 -0.24 0.00 -0.53 0.00 0.00 54.79 53.57 1h3b n ASP 276 Cb 0.20 -4.72 0.08 0.00 -0.64 0.00 0.00 41.12 36.05 1h3b n ASP 276 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1h3b n MET 277 N -4.56 2.88 0.00 -1.24 2.81 -0.61 -4.64 117.12 111.75 1h3b n MET 277 Ca -0.03 -3.63 0.14 0.00 -1.81 0.00 0.00 57.70 52.38 1h3b n MET 277 Cb 0.57 -2.18 0.67 0.00 -0.71 0.00 0.00 33.22 31.57 1h3b n MET 277 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1h3b n THR 278 N -0.89 0.00 1.08 2.03 -2.24 -1.26 -2.50 114.28 110.50 1h3b n THR 278 Ca 0.49 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.38 1h3b n THR 278 Cb 0.91 -0.48 0.11 0.00 -2.10 0.00 0.00 70.33 68.77 1h3b n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h3b n GLN 279 N -1.40 0.98 -3.00 -0.78 1.13 -1.26 -4.63 117.38 108.42 1h3b n GLN 279 Ca 0.10 -0.75 -0.35 0.00 -1.94 0.00 0.00 57.00 54.06 1h3b n GLN 279 Cb 0.30 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.10 1h3b n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1h3b s HIS 280 N -2.53 3.55 0.22 1.08 2.46 -1.04 -4.97 115.29 114.06 1h3b s HIS 280 Ca 0.19 1.47 -0.08 0.00 0.47 0.00 0.00 55.06 57.12 1h3b s HIS 280 Cb 0.18 -2.70 0.34 0.00 -0.13 0.00 0.00 32.58 30.27 1h3b s HIS 280 CO 0.58 0.20 1.74 -1.35 -2.47 0.00 0.00 174.74 173.44 1h3b h PRO 281 N 2.91 0.43 -0.88 2.88 0.11 -1.93 -2.05 132.00 133.48 1h3b h PRO 281 Ca -0.48 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1h3b h PRO 281 Cb 1.19 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 1h3b h PRO 281 CO 0.65 0.29 0.57 0.00 -0.21 0.00 0.00 178.00 179.29 1h3b h ALA 282 N 1.46 1.53 0.30 -0.75 0.00 -1.94 0.14 119.26 120.00 1h3b h ALA 282 Ca 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1h3b h ALA 282 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1h3b h ALA 282 CO -0.33 0.35 -0.14 0.35 0.00 0.00 0.00 179.25 179.47 1h3b h PHE 283 N 1.00 -0.38 -0.17 0.00 3.04 -1.67 -0.42 116.94 118.34 1h3b h PHE 283 Ca 0.37 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.34 1h3b h PHE 283 Cb 0.18 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 1h3b h PHE 283 CO -0.00 -0.05 -0.31 0.82 -2.02 0.00 0.00 178.31 176.74 1h3b h ILE 284 N -0.97 0.00 -0.51 1.41 1.08 -1.11 0.96 117.51 118.37 1h3b h ILE 284 Ca -0.04 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.56 1h3b h ILE 284 Cb 0.49 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1h3b h ILE 284 CO 0.07 0.00 0.36 0.50 -0.69 0.00 0.00 178.15 178.39 1h3b h LYS 285 N -0.27 0.07 -0.25 2.37 1.63 -0.83 0.01 116.57 119.31 1h3b h LYS 285 Ca 0.03 -0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1h3b h LYS 285 Cb 0.36 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1h3b h LYS 285 CO -0.30 0.05 -0.21 0.78 -3.45 0.00 0.00 179.45 176.32 1h3b h GLY 286 N 0.07 0.63 0.70 5.01 0.00 0.15 -2.17 103.07 107.47 1h3b h GLY 286 Ca 0.24 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1h3b h GLY 286 CO -0.02 0.57 0.00 -0.25 0.00 0.00 0.00 176.54 176.84 1h3b h TRP 287 N 0.29 0.01 -0.37 5.60 2.91 0.25 -3.17 115.95 121.48 1h3b h TRP 287 Ca 0.04 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 1h3b h TRP 287 Cb 0.76 -0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.38 1h3b h TRP 287 CO 0.07 0.31 0.22 0.93 -1.03 0.00 0.00 178.44 178.94 1h3b h GLU 288 N -0.28 0.49 -0.48 2.65 5.08 -1.13 -2.79 114.58 118.12 1h3b h GLU 288 Ca 0.00 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1h3b h GLU 288 Cb 0.30 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1h3b h GLU 288 CO 0.00 0.34 0.32 0.78 -1.00 0.00 0.00 179.01 179.46 1h3b h GLY 289 N 0.54 0.42 -0.33 -3.84 0.00 -1.35 -3.14 103.07 95.36 1h3b h GLY 289 Ca 0.13 -0.13 0.23 0.00 0.00 0.00 0.00 47.33 47.57 1h3b h GLY 289 CO -0.03 0.09 0.33 1.41 0.00 0.00 0.00 176.54 178.34 1h3b h LEU 290 N 0.32 0.18 -1.36 3.11 3.38 -1.60 -2.22 115.31 117.13 1h3b h LEU 290 Ca 0.22 0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.56 1h3b h LEU 290 Cb 0.43 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1h3b h LEU 290 CO -0.05 -0.08 0.61 -0.33 0.09 0.00 0.00 178.44 178.68 1h3b h GLU 291 N 0.30 0.50 0.00 1.13 4.39 -1.77 0.36 114.58 119.48 1h3b h GLU 291 Ca 0.56 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.22 1h3b h GLU 291 Cb 1.12 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1h3b h GLU 291 CO -0.59 0.33 -0.06 1.25 -1.16 0.00 0.00 179.01 178.78 1h3b h LEU 292 N 0.52 0.00 0.00 1.33 5.85 -1.63 -1.91 115.31 119.47 1h3b h LEU 292 Ca 0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1h3b h LEU 292 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1h3b h LEU 292 CO -0.24 0.06 -0.69 1.88 -0.34 0.00 0.00 178.44 179.11 1h3b h TYR 293 N 0.00 0.00 -3.93 1.25 -1.99 -1.09 -3.47 116.97 107.74 1h3b h TYR 293 Ca -0.00 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 1h3b h TYR 293 Cb 0.15 0.00 0.16 0.00 2.00 0.00 0.00 36.73 39.05 1h3b h TYR 293 CO 0.00 0.00 0.20 0.20 -0.00 0.00 0.00 178.16 178.56 1h3b s GLY 294 N -4.22 1.61 -0.17 3.88 0.00 -0.72 -1.79 107.32 105.90 1h3b s GLY 294 Ca 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 1h3b s GLY 294 CO 0.75 0.50 0.38 0.14 0.00 0.00 0.00 173.10 174.86 1h3b s VAL 295 N -2.82 -0.33 -0.19 1.40 1.01 0.33 -4.88 120.40 114.92 1h3b s VAL 295 Ca 0.65 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 1h3b s VAL 295 Cb -0.20 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1h3b s VAL 295 CO 0.58 0.06 1.01 -1.61 0.00 0.00 0.00 175.10 175.15 1h3b s GLU 296 N 2.03 4.31 0.07 2.72 0.41 -1.26 -1.65 118.70 125.32 1h3b s GLU 296 Ca -0.05 1.34 -0.16 0.00 -0.41 0.00 0.00 54.97 55.69 1h3b s GLU 296 Cb -0.11 -3.61 -0.06 0.00 -1.78 0.00 0.00 34.13 28.57 1h3b s GLU 296 CO -0.12 -0.52 0.50 -0.51 -0.49 0.00 0.00 175.26 174.13 1h3b s LEU 297 N 2.77 4.45 0.40 1.80 1.43 0.21 -4.98 118.68 124.76 1h3b s LEU 297 Ca 0.45 1.08 0.10 0.00 -1.03 0.00 0.00 54.13 54.74 1h3b s LEU 297 Cb -0.16 -2.90 0.90 0.00 0.03 0.00 0.00 46.19 44.06 1h3b s LEU 297 CO 0.10 0.24 1.96 -2.24 0.23 0.00 0.00 176.35 176.64 1h3b h ASP 298 N 4.27 0.51 0.00 2.29 3.04 -1.96 -1.20 116.42 123.37 1h3b h ASP 298 Ca -0.50 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 1h3b h ASP 298 Cb 1.21 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1h3b h ASP 298 CO 0.64 0.31 0.00 0.00 -2.04 0.00 0.00 179.24 178.14 1h3b n TYR 299 N -4.48 0.00 -0.76 4.15 0.18 -1.26 -4.80 117.16 110.19 1h3b n TYR 299 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 1h3b n TYR 299 Cb 0.33 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 1h3b n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h3b n GLY 300 N 0.17 0.56 3.86 -7.48 0.00 -0.46 -5.03 105.19 96.81 1h3b n GLY 300 Ca 0.00 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 1h3b n GLY 300 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 301 N -2.73 2.33 -0.02 -0.02 0.00 -1.18 -4.42 107.32 101.28 1h3b s GLY 301 Ca 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 44.72 43.16 1h3b s GLY 301 CO 0.00 -1.89 0.03 0.86 0.00 0.00 0.00 173.10 172.10 1h3b s TRP 302 N -2.67 0.05 0.19 1.90 -0.00 -0.58 0.66 118.94 118.50 1h3b s TRP 302 Ca 0.38 0.13 0.09 0.00 -0.00 0.00 0.00 56.10 56.71 1h3b s TRP 302 Cb -0.01 -0.28 -0.04 0.00 -0.00 0.00 0.00 33.47 33.14 1h3b s TRP 302 CO 0.22 -0.10 -0.19 0.00 -0.00 0.00 0.00 176.95 176.88 1h3b s MET 303 N 1.19 1.39 -0.16 5.86 0.23 -0.66 -4.52 119.30 122.63 1h3b s MET 303 Ca -0.08 -1.51 -0.02 0.00 -1.03 0.00 0.00 55.69 53.06 1h3b s MET 303 Cb -0.13 -1.47 -0.01 0.00 -1.53 0.00 0.00 34.83 31.69 1h3b s MET 303 CO -0.03 0.29 -0.09 0.12 -2.03 0.00 0.00 175.02 173.28 1h3b s PHE 304 N -2.17 2.89 0.14 3.16 2.19 -1.26 -0.51 117.98 122.42 1h3b s PHE 304 Ca 0.20 -0.69 -0.30 0.00 0.33 0.00 0.00 56.93 56.46 1h3b s PHE 304 Cb -0.05 -1.94 -0.07 0.00 -1.31 0.00 0.00 43.02 39.65 1h3b s PHE 304 CO 0.08 -0.29 1.11 -0.65 1.83 0.00 0.00 175.22 177.31 1h3b s GLN 305 N 0.69 4.56 0.57 10.12 -0.21 -0.74 -4.74 119.66 129.90 1h3b s GLN 305 Ca -0.05 1.71 0.31 0.00 0.02 0.00 0.00 55.36 57.35 1h3b s GLN 305 Cb -0.15 -3.30 1.75 0.00 1.00 0.00 0.00 33.01 32.31 1h3b s GLN 305 CO 0.02 -0.00 2.20 0.00 -2.12 0.00 0.00 175.29 175.39 1h3b h ALA 306 N 5.57 1.37 -1.91 6.09 0.00 -1.92 -3.44 119.26 125.02 1h3b h ALA 306 Ca -0.44 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 54.72 1h3b h ALA 306 Cb 1.21 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1h3b h ALA 306 CO 0.74 0.05 0.77 0.45 0.00 0.00 0.00 179.25 181.27 1h3b s SER 307 N -6.04 -0.04 0.13 0.00 0.15 -1.26 -1.91 113.70 104.72 1h3b s SER 307 Ca -0.04 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 56.43 1h3b s SER 307 Cb 0.14 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1h3b s SER 307 CO 0.55 -0.48 -0.24 0.27 1.20 0.00 0.00 173.24 174.53 1h3b s ILE 308 N -2.38 2.04 -0.19 6.45 -4.36 -1.26 -4.49 121.20 117.00 1h3b s ILE 308 Ca 0.19 -1.72 0.13 0.00 -0.26 0.00 0.00 60.65 59.00 1h3b s ILE 308 Cb 0.01 -1.84 0.43 0.00 1.25 0.00 0.00 42.46 42.32 1h3b s ILE 308 CO -0.01 -0.01 1.20 -1.54 0.24 0.00 0.00 174.94 174.83 1h3b n SER 309 N 0.88 2.13 -0.17 4.36 3.41 -1.26 -3.84 113.62 119.13 1h3b n SER 309 Ca -0.18 -3.54 -0.05 0.00 -0.26 0.00 0.00 58.87 54.84 1h3b n SER 309 Cb 0.54 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1h3b n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1h3b h PRO 310 N 1.25 -0.15 0.48 4.33 0.13 -1.77 0.25 132.00 136.52 1h3b h PRO 310 Ca 0.02 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1h3b h PRO 310 Cb 1.23 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h3b h PRO 310 CO 0.14 -0.10 -0.29 0.28 -0.23 0.00 0.00 178.00 177.81 1h3b h VAL 311 N -0.15 0.41 -0.47 1.56 2.07 -1.72 0.19 116.25 118.14 1h3b h VAL 311 Ca 0.23 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1h3b h VAL 311 Cb 0.52 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 1h3b h VAL 311 CO -0.61 0.00 -0.14 -0.25 0.02 0.00 0.00 177.57 176.59 1h3b h TRP 312 N -0.73 -0.33 0.37 1.57 2.91 -1.60 0.10 115.95 118.24 1h3b h TRP 312 Ca -0.06 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1h3b h TRP 312 Cb 0.59 0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1h3b h TRP 312 CO -0.09 -0.23 -0.18 -0.44 -1.03 0.00 0.00 178.44 176.47 1h3b h ASP 313 N -0.03 -0.43 -0.39 2.65 3.32 -0.72 -2.07 116.42 118.75 1h3b h ASP 313 Ca 0.23 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.37 1h3b h ASP 313 Cb 0.38 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 1h3b h ASP 313 CO -0.50 -0.30 -0.11 0.74 -1.72 0.00 0.00 179.24 177.35 1h3b h THR 314 N -0.50 0.58 0.05 0.35 2.02 0.02 0.12 112.91 115.55 1h3b h THR 314 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1h3b h THR 314 Cb 0.38 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1h3b h THR 314 CO 0.08 0.00 -0.24 1.23 0.37 0.00 0.00 175.52 176.96 1h3b h GLY 315 N -0.02 -0.39 0.98 2.16 0.00 -0.67 -1.53 103.07 103.61 1h3b h GLY 315 Ca 0.19 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 1h3b h GLY 315 CO -0.41 -0.20 0.19 1.41 0.00 0.00 0.00 176.54 177.52 1h3b h LEU 316 N -0.40 0.74 -0.69 3.11 3.38 -1.06 -2.22 115.31 118.16 1h3b h LEU 316 Ca 0.05 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.95 1h3b h LEU 316 Cb 0.46 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 1h3b h LEU 316 CO -0.18 0.73 0.25 0.00 0.09 0.00 0.00 178.44 179.33 1h3b h ALA 317 N 1.04 0.93 0.02 1.53 0.00 -0.51 0.23 119.26 122.51 1h3b h ALA 317 Ca 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1h3b h ALA 317 Cb 0.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1h3b h ALA 317 CO -0.01 -0.22 -0.01 0.28 0.00 0.00 0.00 179.25 179.29 1h3b h VAL 318 N 0.41 1.09 -0.61 0.00 2.07 -1.08 -0.41 116.25 117.73 1h3b h VAL 318 Ca 0.37 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1h3b h VAL 318 Cb 0.53 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1h3b h VAL 318 CO -0.38 0.09 0.40 -0.07 0.02 0.00 0.00 177.57 177.64 1h3b h LEU 319 N -0.19 0.58 0.59 2.57 3.38 -0.66 -0.42 115.31 121.16 1h3b h LEU 319 Ca -0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1h3b h LEU 319 Cb 0.17 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1h3b h LEU 319 CO 0.01 0.39 -0.28 0.00 0.09 0.00 0.00 178.44 178.65 1h3b h ALA 320 N 1.65 -0.79 -0.75 1.53 0.00 -0.27 -1.65 119.26 118.98 1h3b h ALA 320 Ca 0.25 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1h3b h ALA 320 Cb 0.16 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1h3b h ALA 320 CO -0.07 -0.75 0.51 -0.07 0.00 0.00 0.00 179.25 178.87 1h3b h LEU 321 N -1.19 0.28 0.16 0.00 3.38 -0.86 -0.37 115.31 116.71 1h3b h LEU 321 Ca -0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1h3b h LEU 321 Cb 0.62 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1h3b h LEU 321 CO 0.13 0.14 -0.07 0.03 0.09 0.00 0.00 178.44 178.75 1h3b h ARG 322 N 0.29 -0.20 0.00 1.13 2.47 -1.05 -2.75 114.38 114.28 1h3b h ARG 322 Ca 0.37 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1h3b h ARG 322 Cb 1.03 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1h3b h ARG 322 CO -0.10 0.21 0.00 0.00 0.56 0.00 0.00 179.97 180.65 1h3b n ALA 323 N -2.60 1.06 1.01 0.04 0.00 -0.62 -0.73 120.51 118.66 1h3b n ALA 323 Ca -0.07 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.66 1h3b n ALA 323 Cb 0.25 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.49 1h3b n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3b n ALA 324 N -1.76 4.07 0.00 0.00 0.00 -0.18 -4.10 120.51 118.56 1h3b n ALA 324 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1h3b n ALA 324 Cb 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1h3b n ALA 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3b n GLY 325 N 1.49 1.81 1.19 0.00 0.00 0.09 -4.89 105.19 104.88 1h3b n GLY 325 Ca 0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1h3b n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h3b n LEU 326 N 0.00 -0.08 -4.76 0.99 4.77 -1.13 -4.81 117.00 111.98 1h3b n LEU 326 Ca 0.00 0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.99 1h3b n LEU 326 Cb 0.00 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1h3b n LEU 326 CO 0.00 -0.72 1.02 -2.16 -1.33 0.00 0.00 177.39 174.20 1h3b s PRO 327 N -0.06 3.42 0.66 3.23 0.04 -1.26 -4.63 135.00 136.40 1h3b s PRO 327 Ca 0.30 2.30 0.26 0.00 0.04 0.00 0.00 61.00 63.90 1h3b s PRO 327 Cb -0.41 -2.45 1.42 0.00 0.04 0.00 0.00 34.50 33.10 1h3b s PRO 327 CO 0.19 -0.99 1.80 0.00 0.04 0.00 0.00 177.00 178.04 1h3b h ALA 328 N 1.89 1.41 -0.25 8.56 0.00 -1.87 0.25 119.26 129.24 1h3b h ALA 328 Ca -0.51 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1h3b h ALA 328 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1h3b h ALA 328 CO 0.59 -0.41 -0.00 -0.40 0.00 0.00 0.00 179.25 179.04 1h3b n ASP 329 N -2.82 3.77 -4.67 0.00 5.68 -1.26 -0.96 116.55 116.29 1h3b n ASP 329 Ca -0.02 -3.05 -0.50 0.00 -0.50 0.00 0.00 54.79 50.73 1h3b n ASP 329 Cb 0.45 -0.54 -0.05 0.00 -1.14 0.00 0.00 41.12 39.83 1h3b n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1h3b n HIS 330 N -0.58 2.23 -0.38 2.11 -0.00 0.87 -4.76 115.22 114.72 1h3b n HIS 330 Ca 0.22 0.08 0.29 0.00 0.46 0.00 0.00 57.72 58.77 1h3b n HIS 330 Cb 0.89 -2.63 0.56 0.00 -0.12 0.00 0.00 29.99 28.69 1h3b n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1h3b h ASP 331 N 9.39 0.37 -0.04 0.26 2.03 -1.94 0.42 116.42 126.91 1h3b h ASP 331 Ca -0.47 0.13 -0.11 0.00 -0.73 0.00 0.00 57.03 55.86 1h3b h ASP 331 Cb 1.28 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.86 1h3b h ASP 331 CO 0.96 -0.09 -0.32 -0.09 -1.03 0.00 0.00 179.24 178.66 1h3b h ARG 332 N 0.24 0.51 0.08 4.15 9.65 -1.98 -2.09 114.38 124.95 1h3b h ARG 332 Ca 0.73 -0.22 -0.27 0.00 -1.10 0.00 0.00 59.98 59.11 1h3b h ARG 332 Cb 2.02 -0.01 0.02 0.00 -1.39 0.00 0.00 29.97 30.60 1h3b h ARG 332 CO -0.43 0.78 -1.15 -0.07 2.80 0.00 0.00 179.97 181.89 1h3b h LEU 333 N 0.44 0.70 -1.55 3.80 3.38 -0.61 -3.17 115.31 118.29 1h3b h LEU 333 Ca 0.05 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.43 1h3b h LEU 333 Cb 0.78 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1h3b h LEU 333 CO 0.06 1.45 0.36 0.58 0.09 0.00 0.00 178.44 180.98 1h3b h VAL 334 N 0.23 1.03 -0.63 1.22 2.07 -0.89 0.38 116.25 119.66 1h3b h VAL 334 Ca -0.14 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1h3b h VAL 334 Cb 1.82 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1h3b h VAL 334 CO 0.21 0.10 0.28 0.50 0.02 0.00 0.00 177.57 178.68 1h3b h LYS 335 N 0.57 0.90 -0.03 1.57 1.63 -1.35 0.39 116.57 120.25 1h3b h LYS 335 Ca 0.22 -0.13 -0.10 0.00 -0.85 0.00 0.00 60.65 59.79 1h3b h LYS 335 Cb 0.17 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1h3b h LYS 335 CO -0.06 0.72 -0.39 0.00 -3.45 0.00 0.00 179.45 176.27 1h3b h ALA 336 N 1.41 0.09 -0.80 5.00 0.00 -0.78 -2.57 119.26 121.61 1h3b h ALA 336 Ca 0.22 -0.49 0.09 0.00 0.00 0.00 0.00 54.91 54.73 1h3b h ALA 336 Cb 0.13 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1h3b h ALA 336 CO -0.02 0.21 0.45 0.78 0.00 0.00 0.00 179.25 180.67 1h3b h GLY 337 N -0.23 1.23 0.98 0.00 0.00 -0.08 0.20 103.07 105.17 1h3b h GLY 337 Ca -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1h3b h GLY 337 CO 0.08 0.12 0.23 0.83 0.00 0.00 0.00 176.54 177.80 1h3b h GLU 338 N 0.75 0.54 -0.58 4.80 4.39 -0.94 -2.48 114.58 121.06 1h3b h GLU 338 Ca 0.39 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1h3b h GLU 338 Cb 0.36 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1h3b h GLU 338 CO -0.25 0.41 0.38 2.35 -1.16 0.00 0.00 179.01 180.74 1h3b h TRP 339 N 0.51 0.73 0.00 4.33 7.01 -0.77 -2.53 115.95 125.23 1h3b h TRP 339 Ca 0.14 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1h3b h TRP 339 Cb 0.02 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1h3b h TRP 339 CO -0.03 0.47 -0.10 -0.07 -2.79 0.00 0.00 178.44 175.91 1h3b h LEU 340 N 0.78 0.00 -0.15 0.65 3.38 -0.35 -2.73 115.31 116.89 1h3b h LEU 340 Ca 0.21 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1h3b h LEU 340 Cb -0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1h3b h LEU 340 CO -0.04 0.10 -0.61 -0.07 0.09 0.00 0.00 178.44 177.91 1h3b h LEU 341 N 0.00 0.80 0.00 1.67 3.38 -1.01 -2.88 115.31 117.27 1h3b h LEU 341 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1h3b h LEU 341 Cb 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1h3b h LEU 341 CO 0.01 1.28 0.00 0.47 0.09 0.00 0.00 178.44 180.30 1h3b n ASP 342 N -4.09 0.00 0.02 -0.43 8.00 -1.04 -2.31 116.55 116.69 1h3b n ASP 342 Ca -0.07 0.33 -0.01 0.00 0.71 0.00 0.00 54.79 55.75 1h3b n ASP 342 Cb 0.66 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 1h3b n ASP 342 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1h3b n ARG 343 N -1.40 0.63 -1.57 -1.24 5.12 -1.09 -4.95 116.66 112.16 1h3b n ARG 343 Ca 0.03 0.20 -0.47 0.00 -1.93 0.00 0.00 57.85 55.68 1h3b n ARG 343 Cb 0.09 -1.78 -0.03 0.00 -1.16 0.00 0.00 32.46 29.58 1h3b n ARG 343 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1h3b n GLN 344 N -2.87 1.17 -3.43 5.56 7.27 -0.98 -4.78 117.38 119.32 1h3b n GLN 344 Ca -0.12 0.41 -0.38 0.00 0.07 0.00 0.00 57.00 56.99 1h3b n GLN 344 Cb 0.87 -1.83 -0.07 0.00 2.41 0.00 0.00 30.24 31.62 1h3b n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1h3b s ILE 345 N -0.59 5.23 -1.06 1.69 1.01 -0.32 -4.99 121.20 122.17 1h3b s ILE 345 Ca 0.67 0.67 0.11 0.00 0.00 0.00 0.00 60.65 62.10 1h3b s ILE 345 Cb -0.80 -3.70 0.25 0.00 0.01 0.00 0.00 42.46 38.22 1h3b s ILE 345 CO 0.56 0.30 1.14 0.35 0.00 0.00 0.00 174.94 177.29 1h3b n THR 346 N 4.06 0.72 -4.10 2.92 -2.24 -1.26 -2.98 114.28 111.40 1h3b n THR 346 Ca -0.09 -0.86 -0.24 0.00 -2.27 0.00 0.00 64.05 60.59 1h3b n THR 346 Cb 0.51 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 1h3b n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1h3b s VAL 347 N -0.98 2.72 0.36 2.28 -7.23 -1.26 -4.73 120.40 111.57 1h3b s VAL 347 Ca 0.20 -1.70 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 1h3b s VAL 347 Cb 0.11 -2.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 1h3b s VAL 347 CO 0.15 -0.11 1.11 -2.84 -0.31 0.00 0.00 175.10 173.10 1h3b s PRO 348 N -3.87 4.27 0.00 4.82 0.02 -1.26 -4.78 135.00 134.21 1h3b s PRO 348 Ca 0.39 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1h3b s PRO 348 Cb -0.00 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1h3b s PRO 348 CO 0.23 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 1h3b n GLY 349 N 0.70 6.05 0.24 0.52 0.00 -1.26 -4.82 105.19 106.63 1h3b n GLY 349 Ca 0.03 -2.04 0.16 0.00 0.00 0.00 0.00 46.02 44.17 1h3b n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h3b h ASP 350 N 0.00 0.00 0.36 1.61 3.32 -1.91 -2.86 116.42 116.94 1h3b h ASP 350 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1h3b h ASP 350 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h3b h ASP 350 CO 0.00 0.00 -0.34 4.11 -1.72 0.00 0.00 179.24 181.29 1h3b h TRP 351 N 0.00 0.00 0.00 4.55 5.08 -1.84 -2.66 115.95 121.08 1h3b h TRP 351 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1h3b h TRP 351 Cb 0.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1h3b h TRP 351 CO 0.00 0.34 0.12 0.00 -1.28 0.00 0.00 178.44 177.62 1h3b h ALA 352 N 1.66 1.10 0.00 0.11 0.00 -1.78 -0.69 119.26 119.66 1h3b h ALA 352 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h3b h ALA 352 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1h3b h ALA 352 CO 0.04 -0.10 0.00 0.28 0.00 0.00 0.00 179.25 179.47 1h3b n VAL 353 N -2.53 1.00 -0.31 0.00 0.31 -1.00 -1.42 118.33 114.38 1h3b n VAL 353 Ca -0.02 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1h3b n VAL 353 Cb 0.17 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1h3b n VAL 353 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1h3b n LYS 354 N -1.88 0.47 -2.77 5.55 4.76 -0.28 -4.79 118.16 119.21 1h3b n LYS 354 Ca 0.02 -0.70 -0.10 0.00 -2.87 0.00 0.00 58.31 54.67 1h3b n LYS 354 Cb 0.18 -0.85 0.08 0.00 -1.84 0.00 0.00 35.03 32.60 1h3b n LYS 354 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h3b n ARG 355 N -0.15 1.09 0.09 1.97 5.12 -1.01 -4.99 116.66 118.79 1h3b n ARG 355 Ca 0.00 -2.26 0.20 0.00 -1.93 0.00 0.00 57.85 53.86 1h3b n ARG 355 Cb 0.18 -0.79 0.75 0.00 -1.16 0.00 0.00 32.46 31.44 1h3b n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1h3b h PRO 356 N 2.64 0.00 -0.68 5.56 0.11 -1.53 0.01 132.00 138.11 1h3b h PRO 356 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1h3b h PRO 356 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1h3b h PRO 356 CO 0.16 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.04 1h3b n ASN 357 N -3.90 4.43 -4.68 -2.05 5.03 -1.26 -4.90 115.26 107.93 1h3b n ASN 357 Ca 0.07 -2.29 -0.37 0.00 0.87 0.00 0.00 54.58 52.85 1h3b n ASN 357 Cb 0.55 -0.55 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 1h3b n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h3b s LEU 358 N -1.54 4.17 0.07 3.41 2.96 -0.01 -5.06 118.68 122.68 1h3b s LEU 358 Ca 0.50 0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 54.56 1h3b s LEU 358 Cb 0.30 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1h3b s LEU 358 CO 0.27 -0.01 1.02 -0.75 -1.32 0.00 0.00 176.35 175.56 1h3b s LYS 359 N 1.07 4.60 0.32 1.98 2.20 -1.26 -5.01 119.74 123.63 1h3b s LYS 359 Ca 0.17 1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 57.00 1h3b s LYS 359 Cb -0.14 -3.39 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 1h3b s LYS 359 CO 0.06 0.03 1.37 -1.25 -0.36 0.00 0.00 175.35 175.21 1h3b s PRO 360 N 0.49 4.29 0.00 4.03 0.04 -1.26 -4.54 135.00 138.06 1h3b s PRO 360 Ca 0.51 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1h3b s PRO 360 Cb -0.24 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1h3b s PRO 360 CO 0.30 -0.30 0.27 0.41 0.04 0.00 0.00 177.00 177.71 1h3b n GLY 361 N 1.10 0.01 3.95 0.56 0.00 -1.16 -4.69 105.19 104.95 1h3b n GLY 361 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1h3b n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 362 N 0.00 1.66 3.33 -0.02 0.00 -1.25 -2.88 105.19 106.03 1h3b n GLY 362 Ca -0.06 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.60 1h3b n GLY 362 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3b s PHE 363 N -2.75 1.65 0.56 1.61 0.40 -1.26 -1.18 117.98 117.01 1h3b s PHE 363 Ca 0.63 -0.58 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1h3b s PHE 363 Cb -0.05 -0.78 0.08 0.00 0.51 0.00 0.00 43.02 42.78 1h3b s PHE 363 CO 0.40 0.31 0.64 0.00 0.70 0.00 0.00 175.22 177.27 1h3b n ALA 364 N -0.26 1.07 -0.09 5.36 0.00 -1.26 -1.50 120.51 123.83 1h3b n ALA 364 Ca -0.09 -2.12 -0.20 0.00 0.00 0.00 0.00 53.44 51.03 1h3b n ALA 364 Cb 0.60 0.70 -0.12 0.00 0.00 0.00 0.00 19.45 20.63 1h3b n ALA 364 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1h3b h PHE 365 N 0.33 0.04 -1.76 0.00 3.57 -1.90 -3.42 116.94 113.79 1h3b h PHE 365 Ca -0.30 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1h3b h PHE 365 Cb 1.24 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1h3b h PHE 365 CO 0.00 1.41 0.00 1.04 -2.23 0.00 0.00 178.31 178.53 1h3b n GLN 366 N -4.41 -0.30 0.03 1.11 3.00 -1.25 -2.62 117.38 112.93 1h3b n GLN 366 Ca -0.27 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.69 1h3b n GLN 366 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.89 1h3b n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1h3b h PHE 367 N -1.13 -0.15 -3.41 1.08 0.04 -1.93 -3.40 116.94 108.04 1h3b h PHE 367 Ca 0.00 -0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.14 1h3b h PHE 367 Cb 0.00 0.05 -0.40 0.00 2.20 0.00 0.00 35.95 37.80 1h3b h PHE 367 CO 0.00 -0.09 -0.73 0.34 -0.60 0.00 0.00 178.31 177.23 1h3b s ASP 368 N -4.90 4.37 -0.44 2.17 -1.08 -1.26 -4.98 116.67 110.55 1h3b s ASP 368 Ca -0.02 -2.05 0.07 0.00 -0.52 0.00 0.00 52.55 50.03 1h3b s ASP 368 Cb 0.00 -1.29 0.24 0.00 -1.46 0.00 0.00 42.92 40.41 1h3b s ASP 368 CO 0.07 -0.38 0.70 -3.20 0.52 0.00 0.00 175.17 172.88 1h3b n ASN 369 N 4.35 -1.40 0.26 -0.34 5.15 -1.26 -3.11 115.26 118.92 1h3b n ASN 369 Ca 0.02 -2.99 0.12 0.00 -0.60 0.00 0.00 54.58 51.13 1h3b n ASN 369 Cb 0.41 0.61 0.73 0.00 -0.53 0.00 0.00 39.78 41.00 1h3b n ASN 369 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1h3b h VAL 370 N 2.58 0.69 -0.04 3.44 -1.51 -1.97 -2.98 116.25 116.47 1h3b h VAL 370 Ca -0.03 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1h3b h VAL 370 Cb 0.96 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1h3b h VAL 370 CO 0.39 0.09 0.00 -1.22 -1.23 0.00 0.00 177.57 175.60 1h3b n TYR 371 N -3.87 0.05 -3.11 5.19 4.01 -1.26 -4.38 117.16 113.78 1h3b n TYR 371 Ca -0.02 -0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.53 1h3b n TYR 371 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 1h3b n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1h3b n TYR 372 N -0.40 0.03 -2.34 -0.72 4.01 -1.12 -3.10 117.16 113.52 1h3b n TYR 372 Ca 0.18 -3.61 -0.35 0.00 -0.16 0.00 0.00 57.90 53.96 1h3b n TYR 372 Cb 0.20 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1h3b n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h3b s PRO 373 N -2.28 3.58 0.18 -0.72 0.04 -1.26 -4.73 135.00 129.80 1h3b s PRO 373 Ca 0.38 1.58 0.10 0.00 0.04 0.00 0.00 61.00 63.10 1h3b s PRO 373 Cb 0.36 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1h3b s PRO 373 CO -0.07 -0.65 -0.19 0.16 0.04 0.00 0.00 177.00 176.28 1h3b s ASP 374 N -1.72 3.72 0.19 6.66 1.47 -0.56 -4.69 116.67 121.73 1h3b s ASP 374 Ca 0.69 -0.74 -0.10 0.00 1.18 0.00 0.00 52.55 53.58 1h3b s ASP 374 Cb -0.23 -0.42 0.12 0.00 -0.34 0.00 0.00 42.92 42.04 1h3b s ASP 374 CO 0.27 0.13 1.75 0.58 0.68 0.00 0.00 175.17 178.57 1h3b h VAL 375 N 3.16 1.25 0.33 2.11 2.07 -0.23 -2.53 116.25 122.41 1h3b h VAL 375 Ca -0.47 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1h3b h VAL 375 Cb 1.20 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1h3b h VAL 375 CO 0.49 0.32 -0.45 -0.78 0.02 0.00 0.00 177.57 177.17 1h3b h ASP 376 N 1.01 -1.27 0.15 0.57 1.82 -1.84 -0.94 116.42 115.91 1h3b h ASP 376 Ca 0.23 0.12 0.01 0.00 -0.39 0.00 0.00 57.03 57.00 1h3b h ASP 376 Cb 0.24 0.44 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 1h3b h ASP 376 CO -0.02 -0.57 -0.17 0.44 -1.61 0.00 0.00 179.24 177.31 1h3b h ASP 377 N -0.83 -0.47 -0.78 2.28 3.32 -1.86 -1.97 116.42 116.11 1h3b h ASP 377 Ca -0.02 0.05 0.18 0.00 0.02 0.00 0.00 57.03 57.26 1h3b h ASP 377 Cb 0.77 0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 1h3b h ASP 377 CO -0.14 -0.26 0.00 0.74 -1.72 0.00 0.00 179.24 177.87 1h3b h THR 378 N -0.36 0.30 -0.13 0.35 2.02 -1.29 0.47 112.91 114.27 1h3b h THR 378 Ca 0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1h3b h THR 378 Cb 0.36 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1h3b h THR 378 CO -0.06 0.02 0.02 0.00 0.37 0.00 0.00 175.52 175.86 1h3b h ALA 379 N 1.74 0.18 -0.45 6.16 0.00 -0.87 0.50 119.26 126.52 1h3b h ALA 379 Ca 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1h3b h ALA 379 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1h3b h ALA 379 CO -0.70 -0.15 0.23 0.28 0.00 0.00 0.00 179.25 178.91 1h3b h VAL 380 N -0.01 1.18 0.42 0.00 2.07 -0.41 -0.51 116.25 118.99 1h3b h VAL 380 Ca 0.04 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1h3b h VAL 380 Cb 0.32 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1h3b h VAL 380 CO 0.00 0.19 -0.20 0.58 0.02 0.00 0.00 177.57 178.17 1h3b h VAL 381 N 0.59 0.57 -0.30 2.57 2.07 -0.06 0.18 116.25 121.88 1h3b h VAL 381 Ca 0.16 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1h3b h VAL 381 Cb 0.10 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1h3b h VAL 381 CO -0.02 0.06 -0.16 0.58 0.02 0.00 0.00 177.57 178.05 1h3b h VAL 382 N -0.75 0.52 -0.55 2.57 2.07 -0.86 0.37 116.25 119.62 1h3b h VAL 382 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1h3b h VAL 382 Cb 0.52 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1h3b h VAL 382 CO 0.09 0.00 0.28 -0.25 0.02 0.00 0.00 177.57 177.72 1h3b h TRP 383 N -0.12 0.52 -0.94 1.57 7.01 -1.02 -0.52 115.95 122.45 1h3b h TRP 383 Ca 0.16 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1h3b h TRP 383 Cb 0.36 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1h3b h TRP 383 CO -0.36 0.25 0.62 0.00 -2.79 0.00 0.00 178.44 176.17 1h3b h ALA 384 N 1.29 1.38 -0.50 2.65 0.00 0.31 -1.77 119.26 122.63 1h3b h ALA 384 Ca 0.24 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1h3b h ALA 384 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1h3b h ALA 384 CO -0.16 0.54 0.01 -0.07 0.00 0.00 0.00 179.25 179.57 1h3b h LEU 385 N 1.21 0.86 -2.10 0.00 3.38 -0.11 -2.70 115.31 115.86 1h3b h LEU 385 Ca 0.37 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1h3b h LEU 385 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1h3b h LEU 385 CO -0.10 0.95 0.20 -1.13 0.09 0.00 0.00 178.44 178.45 1h3b h ASN 386 N 0.74 0.00 -0.64 -0.43 -1.24 -0.21 0.19 115.58 113.98 1h3b h ASN 386 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1h3b h ASN 386 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1h3b h ASN 386 CO 0.02 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.51 1h3b n THR 387 N -2.78 1.65 -4.44 -3.57 -2.24 -1.02 -4.97 114.28 96.91 1h3b n THR 387 Ca -0.02 -1.17 -0.24 0.00 -2.27 0.00 0.00 64.05 60.35 1h3b n THR 387 Cb 0.25 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 1h3b n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h3b s LEU 388 N -1.67 2.56 -0.48 3.22 1.43 0.65 -4.61 118.68 119.77 1h3b s LEU 388 Ca 0.49 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 1h3b s LEU 388 Cb 0.31 -1.05 0.12 0.00 0.03 0.00 0.00 46.19 45.60 1h3b s LEU 388 CO 0.26 0.02 0.22 -0.13 0.23 0.00 0.00 176.35 176.95 1h3b s ARG 389 N -3.38 1.88 0.26 1.70 1.81 -0.14 -4.99 118.95 116.10 1h3b s ARG 389 Ca 0.27 -2.48 0.00 0.00 -1.72 0.00 0.00 55.73 51.81 1h3b s ARG 389 Cb -0.05 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 1h3b s ARG 389 CO 0.13 -1.08 0.45 -0.51 -0.68 0.00 0.00 175.30 173.62 1h3b s LEU 390 N -0.06 4.16 0.06 2.53 1.43 -1.26 -4.48 118.68 121.06 1h3b s LEU 390 Ca 0.16 0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.39 1h3b s LEU 390 Cb -0.25 -3.20 -0.13 0.00 0.03 0.00 0.00 46.19 42.65 1h3b s LEU 390 CO -0.02 -0.14 1.40 -0.65 0.23 0.00 0.00 176.35 177.17 1h3b h PRO 391 N 1.43 -0.72 -5.55 1.29 0.11 -1.99 -3.28 132.00 123.30 1h3b h PRO 391 Ca -0.49 0.05 -0.40 0.00 0.11 0.00 0.00 66.00 65.27 1h3b h PRO 391 Cb 1.21 0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.43 1h3b h PRO 391 CO 0.64 -0.48 1.30 0.34 -0.21 0.00 0.00 178.00 179.60 1h3b s ASP 392 N -3.72 5.39 0.29 -2.05 -1.08 -1.26 -4.75 116.67 109.49 1h3b s ASP 392 Ca -0.13 -1.82 0.23 0.00 -0.52 0.00 0.00 52.55 50.31 1h3b s ASP 392 Cb 0.03 -2.59 1.06 0.00 -1.46 0.00 0.00 42.92 39.96 1h3b s ASP 392 CO 0.43 -2.70 1.69 -0.62 0.52 0.00 0.00 175.17 174.49 1h3b n GLU 393 N 8.31 0.18 0.01 4.34 -0.58 -1.24 -2.12 120.64 129.54 1h3b n GLU 393 Ca 0.46 0.51 -0.04 0.00 -0.42 0.00 0.00 57.16 57.67 1h3b n GLU 393 Cb 0.46 -1.91 -0.10 0.00 -0.57 0.00 0.00 31.44 29.32 1h3b n GLU 393 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1h3b h ARG 394 N 0.00 0.00 -0.14 3.49 2.43 -1.93 -2.68 114.38 115.56 1h3b h ARG 394 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1h3b h ARG 394 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1h3b h ARG 394 CO 0.00 0.41 -0.26 -0.09 -1.51 0.00 0.00 179.97 178.51 1h3b h ARG 395 N 0.00 0.42 0.08 0.20 2.43 -1.82 0.62 114.38 116.32 1h3b h ARG 395 Ca -0.20 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1h3b h ARG 395 Cb 1.76 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1h3b h ARG 395 CO 0.06 0.87 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.26 1h3b h ARG 396 N 0.02 -0.11 -0.98 0.20 2.43 -1.56 0.15 114.38 114.53 1h3b h ARG 396 Ca 0.01 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1h3b h ARG 396 Cb 0.85 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.36 1h3b h ARG 396 CO 0.06 0.03 0.63 -0.09 -1.51 0.00 0.00 179.97 179.08 1h3b h ARG 397 N -0.22 1.08 0.14 0.20 9.65 -1.48 -2.24 114.38 121.50 1h3b h ARG 397 Ca -0.01 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1h3b h ARG 397 Cb 0.19 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1h3b h ARG 397 CO 0.02 0.71 -0.07 0.22 2.80 0.00 0.00 179.97 183.66 1h3b h ASP 398 N 1.11 -0.16 -0.15 -3.80 3.58 -0.50 -3.05 116.42 113.45 1h3b h ASP 398 Ca 0.43 -0.37 0.05 0.00 0.42 0.00 0.00 57.03 57.57 1h3b h ASP 398 Cb 0.22 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.24 1h3b h ASP 398 CO -0.19 0.33 -0.37 0.00 -2.88 0.00 0.00 179.24 176.13 1h3b h ALA 399 N 0.02 -0.47 -0.87 -0.78 0.00 -0.54 0.04 119.26 116.67 1h3b h ALA 399 Ca -0.02 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.12 1h3b h ALA 399 Cb 0.51 0.71 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1h3b h ALA 399 CO 0.03 -0.86 0.32 0.52 0.00 0.00 0.00 179.25 179.27 1h3b h MET 400 N -0.43 0.33 0.32 0.00 2.86 -1.51 0.11 114.93 116.60 1h3b h MET 400 Ca 0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1h3b h MET 400 Cb 0.59 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1h3b h MET 400 CO -0.39 0.22 -0.26 1.15 1.06 0.00 0.00 176.91 178.68 1h3b h THR 401 N 0.34 0.45 -0.22 2.22 2.02 -0.91 1.63 112.91 118.44 1h3b h THR 401 Ca 0.53 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.75 1h3b h THR 401 Cb 1.01 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1h3b h THR 401 CO -0.55 0.00 -0.03 0.11 0.37 0.00 0.00 175.52 175.42 1h3b h LYS 402 N -0.59 0.03 -0.23 6.66 1.57 -0.15 0.52 116.57 124.37 1h3b h LYS 402 Ca -0.02 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1h3b h LYS 402 Cb 0.52 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1h3b h LYS 402 CO -0.02 0.02 0.14 0.78 -0.57 0.00 0.00 179.45 179.80 1h3b h GLY 403 N 0.03 0.32 0.26 3.86 0.00 -0.50 -0.23 103.07 106.82 1h3b h GLY 403 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h3b h GLY 403 CO -0.20 0.10 -0.53 -2.75 0.00 0.00 0.00 176.54 173.17 1h3b h PHE 404 N 0.29 -1.51 -0.80 5.60 3.04 0.29 -1.21 116.94 122.64 1h3b h PHE 404 Ca 0.09 0.03 0.13 0.00 3.98 0.00 0.00 57.97 62.20 1h3b h PHE 404 Cb -0.01 0.62 -0.09 0.00 2.56 0.00 0.00 35.95 39.03 1h3b h PHE 404 CO -0.07 -0.63 0.40 0.00 -2.02 0.00 0.00 178.31 175.99 1h3b h ARG 405 N -0.86 0.59 -0.23 1.11 3.08 -0.74 -1.51 114.38 115.83 1h3b h ARG 405 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1h3b h ARG 405 Cb 0.81 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1h3b h ARG 405 CO -0.21 0.39 0.14 2.35 -1.07 0.00 0.00 179.97 181.57 1h3b h TRP 406 N 0.61 0.30 -0.14 3.04 7.01 -0.64 0.11 115.95 126.25 1h3b h TRP 406 Ca 0.43 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.47 1h3b h TRP 406 Cb 0.56 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.47 1h3b h TRP 406 CO -0.10 0.23 -0.16 0.82 -2.79 0.00 0.00 178.44 176.43 1h3b h ILE 407 N 0.28 0.57 -0.16 2.65 2.04 -0.39 -0.26 117.51 122.23 1h3b h ILE 407 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1h3b h ILE 407 Cb 0.02 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 1h3b h ILE 407 CO -0.02 0.00 -0.19 0.58 0.00 0.00 0.00 178.15 178.52 1h3b h VAL 408 N -0.20 0.50 0.00 1.67 2.07 -0.97 -0.01 116.25 119.30 1h3b h VAL 408 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1h3b h VAL 408 Cb 0.34 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1h3b h VAL 408 CO -0.26 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.94 1h3b n GLY 409 N -1.34 -0.84 0.06 2.17 0.00 0.36 -2.13 105.19 103.48 1h3b n GLY 409 Ca -0.02 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1h3b n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h3b n MET 410 N -1.66 0.47 -1.63 1.61 2.00 -0.05 -4.95 117.12 112.91 1h3b n MET 410 Ca 0.02 0.03 -0.52 0.00 0.00 0.00 0.00 57.70 57.22 1h3b n MET 410 Cb 0.10 -1.68 -0.06 0.00 0.00 0.00 0.00 33.22 31.58 1h3b n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1h3b n GLN 411 N -2.30 1.37 -1.79 0.03 7.27 -0.90 -4.65 117.38 116.41 1h3b n GLN 411 Ca 0.00 0.49 -0.30 0.00 0.07 0.00 0.00 57.00 57.27 1h3b n GLN 411 Cb 0.50 -2.18 0.21 0.00 2.41 0.00 0.00 30.24 31.19 1h3b n GLN 411 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1h3b s SER 412 N 1.37 2.42 0.09 1.69 0.01 -0.50 -4.94 113.70 113.83 1h3b s SER 412 Ca 0.87 0.22 -0.33 0.00 1.31 0.00 0.00 55.95 58.02 1h3b s SER 412 Cb -0.92 -0.20 -0.15 0.00 0.21 0.00 0.00 66.02 64.96 1h3b s SER 412 CO 0.49 -3.16 1.60 0.28 0.41 0.00 0.00 173.24 172.86 1h3b h SER 413 N -1.94 -1.09 0.00 2.44 0.02 -1.93 -2.79 113.55 108.26 1h3b h SER 413 Ca -0.44 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1h3b h SER 413 Cb 1.23 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1h3b h SER 413 CO 0.31 -0.57 0.00 -0.46 -1.14 0.00 0.00 176.83 174.97 1h3b n ASN 414 N -5.51 0.00 0.00 3.07 0.23 -1.26 -4.76 115.26 107.03 1h3b n ASN 414 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 1h3b n ASN 414 Cb 0.41 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1h3b n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1h3b n GLY 415 N -0.98 1.13 4.03 4.83 0.00 -1.05 -4.47 105.19 108.68 1h3b n GLY 415 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1h3b n GLY 415 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 416 N -2.03 1.75 0.09 -0.02 0.00 -1.26 -3.43 107.32 102.42 1h3b s GLY 416 Ca 0.00 -2.06 0.09 0.00 0.00 0.00 0.00 44.72 42.75 1h3b s GLY 416 CO 0.00 -1.62 -0.20 -0.98 0.00 0.00 0.00 173.10 170.31 1h3b s TRP 417 N -2.68 2.50 0.09 1.90 0.51 -1.26 -1.41 118.94 118.58 1h3b s TRP 417 Ca 0.62 -0.29 0.01 0.00 -2.12 0.00 0.00 56.10 54.32 1h3b s TRP 417 Cb -0.06 -1.37 0.01 0.00 -0.81 0.00 0.00 33.47 31.24 1h3b s TRP 417 CO 0.39 0.32 0.12 0.41 -0.51 0.00 0.00 176.95 177.68 1h3b n GLY 418 N 1.12 1.84 0.10 0.98 0.00 -1.26 -1.33 105.19 106.63 1h3b n GLY 418 Ca -0.16 -2.13 -0.19 0.00 0.00 0.00 0.00 46.02 43.54 1h3b n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3b h ALA 419 N 0.37 0.22 0.00 4.61 0.00 -1.82 -3.41 119.26 119.23 1h3b h ALA 419 Ca -0.04 -1.08 -0.12 0.00 0.00 0.00 0.00 54.91 53.67 1h3b h ALA 419 Cb 0.18 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1h3b h ALA 419 CO 0.06 0.65 -1.46 0.66 0.00 0.00 0.00 179.25 179.16 1h3b n TYR 420 N -4.47 0.00 -4.64 0.00 4.01 -1.26 0.45 117.16 111.25 1h3b n TYR 420 Ca -0.28 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.17 1h3b n TYR 420 Cb 0.61 -0.32 -0.09 0.00 -0.31 0.00 0.00 39.34 39.23 1h3b n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h3b s ASP 421 N -4.23 3.63 -0.12 7.72 1.01 -1.26 -4.71 116.67 118.70 1h3b s ASP 421 Ca -0.07 -1.54 -0.05 0.00 0.71 0.00 0.00 52.55 51.61 1h3b s ASP 421 Cb 0.02 0.17 -0.04 0.00 1.01 0.00 0.00 42.92 44.09 1h3b s ASP 421 CO 0.23 -0.71 0.05 -0.69 0.21 0.00 0.00 175.17 174.26 1h3b s VAL 422 N -2.93 4.70 -1.82 -1.27 1.01 -1.26 -4.25 120.40 114.57 1h3b s VAL 422 Ca 0.21 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 1h3b s VAL 422 Cb 0.05 -3.03 0.22 0.00 0.00 0.00 0.00 36.38 33.62 1h3b s VAL 422 CO 0.11 0.57 0.62 0.47 0.00 0.00 0.00 175.10 176.87 1h3b n ASP 423 N 2.50 -2.07 -3.45 3.32 8.00 -1.26 -4.73 116.55 118.85 1h3b n ASP 423 Ca -0.18 -1.18 -0.40 0.00 0.71 0.00 0.00 54.79 53.74 1h3b n ASP 423 Cb 0.54 -1.78 -0.02 0.00 -0.02 0.00 0.00 41.12 39.84 1h3b n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h3b n ASN 424 N -2.47 7.68 -1.08 -2.24 2.85 -1.26 -4.42 115.26 114.32 1h3b n ASN 424 Ca 0.11 -2.79 0.08 0.00 -0.11 0.00 0.00 54.58 51.86 1h3b n ASN 424 Cb 0.46 -1.52 0.28 0.00 1.24 0.00 0.00 39.78 40.24 1h3b n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h3b n THR 425 N 3.28 2.39 -0.59 -0.44 -2.24 -1.26 -2.76 114.28 112.65 1h3b n THR 425 Ca 0.68 -1.84 -0.30 0.00 -2.27 0.00 0.00 64.05 60.33 1h3b n THR 425 Cb 0.26 -0.27 0.21 0.00 -2.10 0.00 0.00 70.33 68.44 1h3b n THR 425 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h3b s SER 426 N -1.77 1.84 0.00 3.42 0.15 -1.26 -4.96 113.70 111.13 1h3b s SER 426 Ca 0.45 1.87 0.00 0.00 0.70 0.00 0.00 55.95 58.96 1h3b s SER 426 Cb 0.36 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1h3b s SER 426 CO 0.10 -3.72 0.00 -0.67 1.20 0.00 0.00 173.24 170.14 1h3b n ASP 427 N -4.62 3.99 -0.17 5.45 2.03 -1.26 -4.80 116.55 117.16 1h3b n ASP 427 Ca 0.07 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.37 1h3b n ASP 427 Cb 0.53 0.74 0.06 0.00 -0.72 0.00 0.00 41.12 41.73 1h3b n ASP 427 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1h3b h LEU 428 N 0.00 -0.38 -1.58 -2.67 3.38 -1.96 -1.98 115.31 110.12 1h3b h LEU 428 Ca 0.00 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1h3b h LEU 428 Cb 0.11 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1h3b h LEU 428 CO 0.00 -0.14 0.45 1.55 0.09 0.00 0.00 178.44 180.39 1h3b h PRO 429 N 0.05 0.45 0.00 1.13 0.13 -1.89 -2.33 132.00 129.53 1h3b h PRO 429 Ca 0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1h3b h PRO 429 Cb 0.42 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1h3b h PRO 429 CO -0.51 0.30 0.00 0.09 -0.23 0.00 0.00 178.00 177.64 1h3b n ASN 430 N -4.48 0.00 0.00 1.44 3.02 -0.74 -3.05 115.26 111.45 1h3b n ASN 430 Ca 0.12 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1h3b n ASN 430 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1h3b n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1h3b n HIS 431 N -0.54 0.00 -1.73 3.10 8.25 -0.88 -0.88 115.22 122.55 1h3b n HIS 431 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 1h3b n HIS 431 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.17 1h3b n HIS 431 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1h3b n ILE 432 N -1.64 4.22 -0.14 1.59 -5.35 -1.17 -4.46 119.36 112.41 1h3b n ILE 432 Ca 0.00 -0.50 -0.06 0.00 -0.27 0.00 0.00 62.75 61.92 1h3b n ILE 432 Cb 0.15 -1.56 0.00 0.00 -1.74 0.00 0.00 39.64 36.50 1h3b n ILE 432 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1h3b h PRO 433 N 1.03 -0.18 -0.80 6.28 0.11 -1.92 -2.92 132.00 133.60 1h3b h PRO 433 Ca -0.51 0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.81 1h3b h PRO 433 Cb 1.32 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.35 1h3b h PRO 433 CO 0.55 -0.12 0.14 0.35 -0.21 0.00 0.00 178.00 178.71 1h3b h PHE 434 N -0.19 0.20 -0.81 0.65 3.57 -1.89 -3.35 116.94 115.13 1h3b h PHE 434 Ca 0.20 0.05 -0.68 0.00 3.53 0.00 0.00 57.97 61.07 1h3b h PHE 434 Cb 0.52 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 1h3b h PHE 434 CO -0.54 -0.18 2.28 0.00 -2.23 0.00 0.00 178.31 177.65 1h3b n ASP 436 N 8.07 2.99 -3.75 0.00 5.75 -1.26 -2.13 116.55 126.22 1h3b n ASP 436 Ca 0.49 -2.88 -0.25 0.00 -0.01 0.00 0.00 54.79 52.14 1h3b n ASP 436 Cb 0.45 -0.42 -0.17 0.00 -1.03 0.00 0.00 41.12 39.95 1h3b n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1h3b s PHE 437 N -2.54 0.78 0.00 2.11 2.19 -1.26 -4.76 117.98 114.50 1h3b s PHE 437 Ca 0.33 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 57.14 1h3b s PHE 437 Cb 0.27 -0.88 0.00 0.00 -1.31 0.00 0.00 43.02 41.09 1h3b s PHE 437 CO 0.06 -0.45 0.00 0.41 1.83 0.00 0.00 175.22 177.07 1h3b n GLY 438 N 5.12 0.49 3.80 13.12 0.00 -1.26 -4.82 105.19 121.63 1h3b n GLY 438 Ca -0.08 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1h3b n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h3b s GLU 439 N 0.00 4.06 0.00 1.61 0.41 -1.26 -4.93 118.70 118.58 1h3b s GLU 439 Ca 0.00 1.30 0.00 0.00 -0.41 0.00 0.00 54.97 55.86 1h3b s GLU 439 Cb 0.00 -2.24 0.00 0.00 -1.78 0.00 0.00 34.13 30.11 1h3b s GLU 439 CO 0.00 -0.20 0.00 0.28 -0.49 0.00 0.00 175.26 174.85 1h3b n VAL 440 N -0.61 0.00 -4.45 2.63 0.31 -1.26 -4.89 118.33 110.05 1h3b n VAL 440 Ca 0.07 -0.30 -0.22 0.00 -0.01 0.00 0.00 64.34 63.89 1h3b n VAL 440 Cb 0.52 0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 34.22 1h3b n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1h3b s THR 441 N -0.91 1.58 -0.58 2.52 -4.23 -1.26 0.15 115.64 112.91 1h3b s THR 441 Ca 0.00 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 58.49 1h3b s THR 441 Cb 0.00 -2.59 0.24 0.00 1.34 0.00 0.00 72.50 71.48 1h3b s THR 441 CO 0.00 -0.19 0.65 -0.67 -0.54 0.00 0.00 174.62 173.86 1h3b n ASP 442 N -0.65 2.64 -4.87 3.99 2.03 -1.13 -4.70 116.55 113.86 1h3b n ASP 442 Ca -0.05 -3.19 -0.31 0.00 0.52 0.00 0.00 54.79 51.77 1h3b n ASP 442 Cb 0.65 -0.67 0.03 0.00 -0.72 0.00 0.00 41.12 40.41 1h3b n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h3b s PRO 443 N -1.94 3.21 0.62 -0.67 0.04 -1.11 -4.11 135.00 131.03 1h3b s PRO 443 Ca 0.37 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 1h3b s PRO 443 Cb 0.13 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1h3b s PRO 443 CO -0.06 -0.83 1.08 -2.30 0.04 0.00 0.00 177.00 174.93 1h3b n PRO 444 N -2.91 0.98 -4.19 0.56 -0.02 -1.26 -4.61 135.00 123.56 1h3b n PRO 444 Ca 0.06 0.38 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1h3b n PRO 444 Cb 0.55 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.62 1h3b n PRO 444 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h3b s SER 445 N -1.29 1.56 0.13 2.55 1.04 -0.44 -4.91 113.70 112.34 1h3b s SER 445 Ca 0.78 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 56.26 1h3b s SER 445 Cb -0.40 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 1h3b s SER 445 CO 0.45 -0.23 1.62 -0.33 0.98 0.00 0.00 173.24 175.73 1h3b h GLU 446 N 3.60 0.67 -0.38 4.02 3.07 -1.88 -2.21 114.58 121.46 1h3b h GLU 446 Ca -0.38 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.28 1h3b h GLU 446 Cb 1.19 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1h3b h GLU 446 CO 0.52 0.70 0.12 0.38 -1.40 0.00 0.00 179.01 179.33 1h3b h ASP 447 N 0.53 0.55 0.26 1.42 2.03 -1.90 -0.14 116.42 119.18 1h3b h ASP 447 Ca 0.13 -0.20 -0.01 0.00 -0.73 0.00 0.00 57.03 56.22 1h3b h ASP 447 Cb 0.33 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1h3b h ASP 447 CO 0.00 0.60 -0.13 0.58 -1.03 0.00 0.00 179.24 179.27 1h3b h VAL 448 N 0.46 0.78 -0.99 4.15 2.07 -1.87 -1.88 116.25 118.97 1h3b h VAL 448 Ca 0.12 -0.32 0.20 0.00 0.82 0.00 0.00 66.70 67.52 1h3b h VAL 448 Cb 0.25 0.97 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 1h3b h VAL 448 CO -0.00 0.07 0.59 0.74 0.02 0.00 0.00 177.57 178.99 1h3b h THR 449 N -0.52 0.66 -0.12 2.57 2.02 -1.34 -0.53 112.91 115.66 1h3b h THR 449 Ca -0.04 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1h3b h THR 449 Cb 0.39 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1h3b h THR 449 CO 0.06 0.13 0.03 0.00 0.37 0.00 0.00 175.52 176.11 1h3b h ALA 450 N 1.66 0.15 -0.80 6.16 0.00 -0.76 -1.67 119.26 124.00 1h3b h ALA 450 Ca 0.59 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1h3b h ALA 450 Cb 0.97 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1h3b h ALA 450 CO -0.41 -0.22 0.53 0.45 0.00 0.00 0.00 179.25 179.60 1h3b h HIS 451 N -0.01 1.00 -0.20 0.00 3.86 -0.40 -1.15 115.15 118.25 1h3b h HIS 451 Ca 0.04 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1h3b h HIS 451 Cb 0.24 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1h3b h HIS 451 CO 0.00 0.62 0.02 0.28 0.86 0.00 0.00 177.93 179.72 1h3b h VAL 452 N 1.07 0.88 -0.28 2.45 2.07 -0.97 -0.43 116.25 121.05 1h3b h VAL 452 Ca 0.30 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.83 1h3b h VAL 452 Cb -0.11 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1h3b h VAL 452 CO -0.07 0.02 0.02 -0.07 0.02 0.00 0.00 177.57 177.49 1h3b h LEU 453 N 0.09 -0.06 -1.72 2.57 3.38 -0.62 -0.31 115.31 118.64 1h3b h LEU 453 Ca 0.09 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1h3b h LEU 453 Cb 0.10 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1h3b h LEU 453 CO -0.14 0.00 -0.10 -0.08 0.09 0.00 0.00 178.44 178.21 1h3b h GLU 454 N 0.12 0.00 0.45 1.13 4.81 -0.97 0.86 114.58 120.97 1h3b h GLU 454 Ca 0.13 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1h3b h GLU 454 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1h3b h GLU 454 CO -0.20 0.10 -0.21 0.00 -0.73 0.00 0.00 179.01 177.96 1h3b h PHE 456 N -0.95 0.03 -0.98 0.00 0.04 -1.02 -2.20 116.94 111.85 1h3b h PHE 456 Ca -0.06 0.03 0.33 0.00 2.80 0.00 0.00 57.97 61.07 1h3b h PHE 456 Cb 0.57 0.04 -0.16 0.00 2.20 0.00 0.00 35.95 38.61 1h3b h PHE 456 CO 0.02 -0.04 0.46 0.78 -0.60 0.00 0.00 178.31 178.92 1h3b h GLY 457 N 0.14 1.94 2.00 -1.45 0.00 -0.76 0.70 103.07 105.63 1h3b h GLY 457 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1h3b h GLY 457 CO -0.28 -0.57 -0.09 1.48 0.00 0.00 0.00 176.54 177.09 1h3b h SER 458 N 0.18 0.00 0.40 0.19 4.64 -1.10 -0.67 113.55 117.19 1h3b h SER 458 Ca 0.73 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.05 1h3b h SER 458 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1h3b h SER 458 CO -0.69 0.09 -0.04 0.49 -0.87 0.00 0.00 176.83 175.80 1h3b n PHE 459 N -3.91 0.00 0.00 4.77 3.72 0.24 -4.91 117.46 117.37 1h3b n PHE 459 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1h3b n PHE 459 Cb 0.18 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1h3b n PHE 459 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h3b n GLY 460 N 1.24 2.35 3.61 1.37 0.00 -0.26 -5.07 105.19 108.43 1h3b n GLY 460 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1h3b n GLY 460 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h3b n TYR 461 N -1.79 0.31 -2.08 1.61 4.02 -1.25 -4.99 117.16 112.99 1h3b n TYR 461 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1h3b n TYR 461 Cb 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 39.34 37.39 1h3b n TYR 461 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1h3b n ASP 462 N -4.25 0.00 0.07 7.72 5.68 -1.26 -4.48 116.55 120.03 1h3b n ASP 462 Ca 0.10 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.49 1h3b n ASP 462 Cb 0.53 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.92 1h3b n ASP 462 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1h3b n ASP 463 N 0.00 0.38 -0.08 -1.12 2.03 -1.10 -3.17 116.55 113.49 1h3b n ASP 463 Ca 0.00 0.59 -0.12 0.00 0.52 0.00 0.00 54.79 55.78 1h3b n ASP 463 Cb 0.00 -0.67 -0.05 0.00 -0.72 0.00 0.00 41.12 39.68 1h3b n ASP 463 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h3b h ALA 464 N 2.39 0.32 -2.48 -1.67 0.00 -1.96 -3.39 119.26 112.46 1h3b h ALA 464 Ca 0.00 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 54.08 1h3b h ALA 464 Cb 0.33 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.07 1h3b h ALA 464 CO 0.00 0.17 1.02 -0.46 0.00 0.00 0.00 179.25 179.98 1h3b s TRP 465 N -4.59 2.42 0.36 0.00 -0.00 -1.19 -4.90 118.94 111.04 1h3b s TRP 465 Ca -0.14 0.26 0.14 0.00 -0.00 0.00 0.00 56.10 56.36 1h3b s TRP 465 Cb 0.07 -4.02 0.98 0.00 -0.00 0.00 0.00 33.47 30.50 1h3b s TRP 465 CO 0.77 -4.09 1.76 -0.22 -0.00 0.00 0.00 176.95 175.17 1h3b h LYS 466 N 8.22 0.49 0.06 5.86 3.64 -1.89 -2.29 116.57 130.66 1h3b h LYS 466 Ca -0.43 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1h3b h LYS 466 Cb 1.21 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1h3b h LYS 466 CO 0.93 0.33 -0.21 0.28 -2.27 0.00 0.00 179.45 178.51 1h3b h VAL 467 N 0.51 0.52 -0.49 2.00 2.07 -1.93 -1.33 116.25 117.60 1h3b h VAL 467 Ca 0.61 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.16 1h3b h VAL 467 Cb 1.32 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1h3b h VAL 467 CO -0.37 0.00 0.26 0.40 0.02 0.00 0.00 177.57 177.89 1h3b h ILE 468 N -0.36 0.99 0.16 4.57 1.08 -1.67 -2.59 117.51 119.69 1h3b h ILE 468 Ca 0.04 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1h3b h ILE 468 Cb 0.41 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1h3b h ILE 468 CO -0.15 0.09 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.14 1h3b h ARG 469 N 0.52 -0.36 -0.99 2.37 2.43 -1.22 0.67 114.38 117.80 1h3b h ARG 469 Ca 0.21 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.59 1h3b h ARG 469 Cb 0.08 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.62 1h3b h ARG 469 CO -0.13 -0.24 0.61 0.00 -1.51 0.00 0.00 179.97 178.71 1h3b h ARG 470 N -0.37 0.68 0.13 0.20 3.08 -1.06 0.71 114.38 117.75 1h3b h ARG 470 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1h3b h ARG 470 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1h3b h ARG 470 CO -0.05 0.45 -0.06 0.00 -1.07 0.00 0.00 179.97 179.23 1h3b h ALA 471 N 1.63 -0.18 -0.84 0.04 0.00 -1.01 -2.32 119.26 116.58 1h3b h ALA 471 Ca 0.56 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1h3b h ALA 471 Cb 0.96 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1h3b h ALA 471 CO -0.34 -0.40 0.51 0.28 0.00 0.00 0.00 179.25 179.30 1h3b h VAL 472 N -0.58 0.99 -0.90 0.00 2.07 -0.01 0.14 116.25 117.95 1h3b h VAL 472 Ca -0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1h3b h VAL 472 Cb 0.45 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1h3b h VAL 472 CO 0.03 0.16 0.60 -0.33 0.02 0.00 0.00 177.57 178.05 1h3b h GLU 473 N 0.90 1.17 0.26 1.57 4.39 -0.88 0.17 114.58 122.16 1h3b h GLU 473 Ca 0.38 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1h3b h GLU 473 Cb 0.25 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1h3b h GLU 473 CO -0.20 0.78 -0.13 -0.92 -1.16 0.00 0.00 179.01 177.38 1h3b h TYR 474 N 1.21 -0.33 -0.49 4.33 3.20 -0.23 -1.35 116.97 123.31 1h3b h TYR 474 Ca 0.34 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.22 1h3b h TYR 474 Cb -0.11 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1h3b h TYR 474 CO -0.00 -0.20 0.29 -0.07 -1.64 0.00 0.00 178.16 176.54 1h3b h LEU 475 N -0.35 0.47 -0.68 2.82 3.38 -0.45 -1.22 115.31 119.29 1h3b h LEU 475 Ca -0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1h3b h LEU 475 Cb 0.27 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1h3b h LEU 475 CO 0.06 0.34 0.34 0.11 0.09 0.00 0.00 178.44 179.37 1h3b h LYS 476 N 0.59 0.57 0.00 1.13 1.57 -0.40 -1.01 116.57 119.01 1h3b h LYS 476 Ca 0.20 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1h3b h LYS 476 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1h3b h LYS 476 CO -0.09 0.38 -0.23 0.00 -0.57 0.00 0.00 179.45 178.94 1h3b h ARG 477 N 0.59 0.00 0.00 3.15 3.08 -0.74 -3.16 114.38 117.30 1h3b h ARG 477 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1h3b h ARG 477 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1h3b h ARG 477 CO -0.25 0.23 -0.80 0.93 -1.07 0.00 0.00 179.97 179.01 1h3b h GLU 478 N 0.00 0.00 -6.37 0.04 4.39 -0.17 -3.48 114.58 108.99 1h3b h GLU 478 Ca -0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1h3b h GLU 478 Cb 0.79 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 29.59 1h3b h GLU 478 CO 0.03 0.00 -0.39 0.94 -1.16 0.00 0.00 179.01 178.43 1h3b n GLN 479 N -2.67 0.59 -2.92 2.33 7.27 -0.49 -4.86 117.38 116.63 1h3b n GLN 479 Ca 0.01 0.22 -0.28 0.00 0.07 0.00 0.00 57.00 57.01 1h3b n GLN 479 Cb 0.53 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.60 1h3b n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h3b s LYS 480 N -1.69 3.63 0.28 3.69 -0.14 0.14 -4.96 119.74 120.69 1h3b s LYS 480 Ca 0.64 0.20 -0.06 0.00 -1.36 0.00 0.00 55.97 55.39 1h3b s LYS 480 Cb -0.56 -2.46 0.51 0.00 -1.68 0.00 0.00 37.83 33.63 1h3b s LYS 480 CO 0.57 -0.03 1.58 -1.35 -0.76 0.00 0.00 175.35 175.36 1h3b h PRO 481 N 0.92 0.01 -0.93 -1.68 0.11 -1.93 0.34 132.00 128.85 1h3b h PRO 481 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h3b h PRO 481 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1h3b h PRO 481 CO 0.63 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 1h3b n ASP 482 N -5.54 1.20 -0.41 -2.05 5.75 -1.26 -4.84 116.55 109.40 1h3b n ASP 482 Ca 0.17 -2.05 -0.05 0.00 -0.01 0.00 0.00 54.79 52.85 1h3b n ASP 482 Cb 0.54 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.13 1h3b n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h3b n GLY 483 N 0.06 0.77 3.88 6.12 0.00 0.12 -4.71 105.19 111.43 1h3b n GLY 483 Ca 0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1h3b n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h3b s SER 484 N -2.63 5.41 -0.10 1.61 1.04 -1.24 -3.85 113.70 113.94 1h3b s SER 484 Ca 0.00 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1h3b s SER 484 Cb 0.00 -1.03 0.01 0.00 0.10 0.00 0.00 66.02 65.10 1h3b s SER 484 CO 0.00 -0.36 -0.14 0.26 0.98 0.00 0.00 173.24 173.98 1h3b s TRP 485 N -2.28 1.86 0.58 5.02 0.51 -1.26 0.27 118.94 123.64 1h3b s TRP 485 Ca 0.41 -0.84 -0.18 0.00 -2.12 0.00 0.00 56.10 53.37 1h3b s TRP 485 Cb -0.06 -1.35 -0.08 0.00 -0.81 0.00 0.00 33.47 31.17 1h3b s TRP 485 CO 0.27 -0.44 0.58 0.34 -0.51 0.00 0.00 176.95 177.19 1h3b n PHE 486 N 4.17 -0.52 -3.87 -1.98 7.35 -1.26 -2.82 117.46 118.52 1h3b n PHE 486 Ca -0.19 0.43 -0.35 0.00 -0.76 0.00 0.00 57.45 56.59 1h3b n PHE 486 Cb 0.51 -1.97 -0.13 0.00 0.35 0.00 0.00 39.48 38.24 1h3b n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1h3b s GLY 487 N -1.20 1.90 -0.06 7.13 0.00 -1.15 -4.23 107.32 109.70 1h3b s GLY 487 Ca 0.70 -2.27 -0.25 0.00 0.00 0.00 0.00 44.72 42.90 1h3b s GLY 487 CO 0.53 0.89 0.99 -0.09 0.00 0.00 0.00 173.10 175.43 1h3b h ARG 488 N 7.94 -0.07 -0.52 2.90 9.65 -1.93 -3.36 114.38 128.99 1h3b h ARG 488 Ca -0.14 0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.64 1h3b h ARG 488 Cb 1.05 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.58 1h3b h ARG 488 CO 0.60 0.51 0.10 0.91 2.80 0.00 0.00 179.97 184.89 1h3b n TRP 489 N -4.82 1.76 -3.61 2.20 7.02 -1.26 -4.66 117.44 114.06 1h3b n TRP 489 Ca -0.08 -1.08 -0.01 0.00 -1.02 0.00 0.00 57.50 55.30 1h3b n TRP 489 Cb 0.31 -0.52 -0.06 0.00 -2.42 0.00 0.00 31.31 28.61 1h3b n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1h3b s GLY 490 N -1.48 0.05 -0.42 6.99 0.00 -1.26 -3.19 107.32 108.02 1h3b s GLY 490 Ca 0.50 3.21 -0.27 0.00 0.00 0.00 0.00 44.72 48.15 1h3b s GLY 490 CO 0.11 2.70 1.99 0.14 0.00 0.00 0.00 173.10 178.03 1h3b s VAL 491 N 1.45 3.29 0.00 1.40 1.01 -0.34 -4.51 120.40 122.70 1h3b s VAL 491 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1h3b s VAL 491 Cb -0.04 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1h3b s VAL 491 CO -0.15 -0.41 0.00 -3.20 0.00 0.00 0.00 175.10 171.34 1h3b n ASN 492 N 12.21 0.00 0.22 3.32 2.85 -1.26 -4.47 115.26 128.13 1h3b n ASN 492 Ca 0.26 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.78 1h3b n ASN 492 Cb 0.49 0.00 0.49 0.00 1.24 0.00 0.00 39.78 42.01 1h3b n ASN 492 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1h3b h TYR 493 N 0.00 0.00 -0.01 1.20 0.05 -1.84 0.12 116.97 116.49 1h3b h TYR 493 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 1h3b h TYR 493 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1h3b h TYR 493 CO 0.00 0.20 -0.79 -0.07 -1.05 0.00 0.00 178.16 176.45 1h3b h LEU 494 N 0.00 0.19 -0.00 3.88 3.38 -1.86 -1.09 115.31 119.81 1h3b h LEU 494 Ca -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1h3b h LEU 494 Cb 0.36 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1h3b h LEU 494 CO 0.03 0.90 -0.00 0.22 0.09 0.00 0.00 178.44 179.68 1h3b h TYR 495 N 0.09 0.00 0.36 1.13 3.20 -1.40 -1.60 116.97 118.76 1h3b h TYR 495 Ca -0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1h3b h TYR 495 Cb 1.38 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.65 1h3b h TYR 495 CO 0.02 0.50 -0.17 0.78 -1.64 0.00 0.00 178.16 177.65 1h3b h GLY 496 N -0.49 -0.50 0.45 1.82 0.00 -0.87 -1.48 103.07 102.00 1h3b h GLY 496 Ca 0.00 0.19 0.12 0.00 0.00 0.00 0.00 47.33 47.64 1h3b h GLY 496 CO 0.00 -0.18 0.62 -0.84 0.00 0.00 0.00 176.54 176.13 1h3b h THR 497 N -0.82 0.90 -0.25 4.70 2.02 -1.03 0.22 112.91 118.65 1h3b h THR 497 Ca -0.05 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1h3b h THR 497 Cb 0.53 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1h3b h THR 497 CO 0.08 0.18 0.17 1.23 0.37 0.00 0.00 175.52 177.54 1h3b h GLY 498 N 0.96 0.36 0.91 2.16 0.00 -1.20 -2.37 103.07 103.90 1h3b h GLY 498 Ca 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1h3b h GLY 498 CO -0.27 0.13 -0.31 0.00 0.00 0.00 0.00 176.54 176.09 1h3b h ALA 499 N 1.09 -0.86 -0.27 3.60 0.00 0.09 -2.40 119.26 120.50 1h3b h ALA 499 Ca 0.09 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1h3b h ALA 499 Cb -0.03 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1h3b h ALA 499 CO -0.02 -0.93 -0.48 0.28 0.00 0.00 0.00 179.25 178.10 1h3b h VAL 500 N -0.96 0.07 -0.47 0.00 2.07 -0.63 0.04 116.25 116.37 1h3b h VAL 500 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1h3b h VAL 500 Cb 0.69 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1h3b h VAL 500 CO 0.14 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.61 1h3b h VAL 501 N -0.44 1.14 -0.84 2.57 2.07 -1.50 0.59 116.25 119.83 1h3b h VAL 501 Ca 0.09 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1h3b h VAL 501 Cb 0.62 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1h3b h VAL 501 CO -0.50 0.14 0.55 -1.28 0.02 0.00 0.00 177.57 176.50 1h3b h SER 502 N 0.63 0.77 0.22 0.57 0.87 -0.96 -1.67 113.55 113.98 1h3b h SER 502 Ca 0.17 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1h3b h SER 502 Cb -0.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1h3b h SER 502 CO -0.03 0.47 -0.11 0.00 -0.53 0.00 0.00 176.83 176.63 1h3b h ALA 503 N 1.56 -0.67 -1.15 6.23 0.00 -0.11 -3.04 119.26 122.08 1h3b h ALA 503 Ca 0.38 -0.07 0.39 0.00 0.00 0.00 0.00 54.91 55.61 1h3b h ALA 503 Cb 0.34 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 1h3b h ALA 503 CO -0.15 -0.65 0.70 -0.07 0.00 0.00 0.00 179.25 179.08 1h3b h LEU 504 N -0.45 0.35 -1.09 0.00 3.38 -0.81 1.78 115.31 118.47 1h3b h LEU 504 Ca -0.03 0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1h3b h LEU 504 Cb 0.23 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1h3b h LEU 504 CO 0.05 -0.20 -0.15 0.50 0.09 0.00 0.00 178.44 178.73 1h3b h LYS 505 N 0.16 0.46 0.00 1.13 3.11 -1.35 -2.62 116.57 117.46 1h3b h LYS 505 Ca 0.78 -0.14 -0.13 0.00 -2.81 0.00 0.00 60.65 58.35 1h3b h LYS 505 Cb 2.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 33.34 1h3b h LYS 505 CO -0.53 0.61 -0.62 0.00 -2.81 0.00 0.00 179.45 176.10 1h3b h ALA 506 N 1.42 0.67 -0.39 5.00 0.00 0.28 -3.24 119.26 122.99 1h3b h ALA 506 Ca 0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1h3b h ALA 506 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1h3b h ALA 506 CO 0.03 0.78 0.05 1.33 0.00 0.00 0.00 179.25 181.44 1h3b n VAL 507 N -3.36 1.82 0.00 0.00 0.24 -0.65 -4.63 118.33 111.75 1h3b n VAL 507 Ca 0.01 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1h3b n VAL 507 Cb 0.74 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1h3b n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h3b n GLY 508 N 0.29 2.72 2.54 7.63 0.00 -1.22 -2.69 105.19 114.46 1h3b n GLY 508 Ca 0.20 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1h3b n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h3b n ILE 509 N 0.00 0.00 -3.24 -0.61 2.08 -1.01 -4.86 119.36 111.73 1h3b n ILE 509 Ca 0.00 -0.41 -0.41 0.00 0.56 0.00 0.00 62.75 62.49 1h3b n ILE 509 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 1h3b n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1h3b s ASP 510 N -0.81 6.32 0.57 4.38 2.15 -1.26 -4.69 116.67 123.32 1h3b s ASP 510 Ca 0.39 -0.04 0.26 0.00 0.43 0.00 0.00 52.55 53.60 1h3b s ASP 510 Cb -0.27 -2.27 1.53 0.00 -0.30 0.00 0.00 42.92 41.61 1h3b s ASP 510 CO 0.61 -0.49 2.06 0.71 -0.17 0.00 0.00 175.17 177.89 1h3b h THR 511 N 5.62 0.59 0.00 1.71 1.35 -1.92 -2.01 112.91 118.24 1h3b h THR 511 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1h3b h THR 511 Cb 1.12 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1h3b h THR 511 CO 0.78 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.59 1h3b n ARG 512 N -4.02 0.11 -0.73 4.72 1.74 -1.26 -3.96 116.66 113.26 1h3b n ARG 512 Ca 0.04 0.30 -0.33 0.00 -0.77 0.00 0.00 57.85 57.09 1h3b n ARG 512 Cb 0.40 -1.70 0.15 0.00 -1.02 0.00 0.00 32.46 30.29 1h3b n ARG 512 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1h3b n GLU 513 N -1.91 -0.96 0.26 5.56 -0.58 -0.76 -4.75 120.64 117.50 1h3b n GLU 513 Ca 0.03 -0.25 -0.10 0.00 -0.42 0.00 0.00 57.16 56.42 1h3b n GLU 513 Cb 0.24 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.28 1h3b n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h3b h PRO 514 N -1.82 -0.64 -0.78 3.49 0.11 -1.90 -2.50 132.00 127.96 1h3b h PRO 514 Ca -0.49 0.04 0.17 0.00 0.11 0.00 0.00 66.00 65.84 1h3b h PRO 514 Cb 1.32 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.53 1h3b h PRO 514 CO 0.36 -0.43 0.52 0.10 -0.21 0.00 0.00 178.00 178.35 1h3b h TYR 515 N -0.81 0.40 0.36 0.65 -0.00 -1.96 0.38 116.97 115.99 1h3b h TYR 515 Ca -0.07 0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 58.66 1h3b h TYR 515 Cb 0.51 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 1h3b h TYR 515 CO 0.07 0.14 -0.17 0.82 -0.00 0.00 0.00 178.16 179.01 1h3b h ILE 516 N 0.33 0.65 -0.40 -0.90 1.08 -1.83 -2.23 117.51 114.21 1h3b h ILE 516 Ca 0.39 -0.39 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1h3b h ILE 516 Cb 1.02 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 1h3b h ILE 516 CO -0.11 0.07 0.20 1.56 -0.69 0.00 0.00 178.15 179.18 1h3b h GLN 517 N -0.70 0.39 -0.28 2.37 1.08 -0.76 -0.41 115.11 116.80 1h3b h GLN 517 Ca -0.05 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 1h3b h GLN 517 Cb 0.49 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1h3b h GLN 517 CO 0.08 0.26 0.26 -0.22 -0.95 0.00 0.00 178.83 178.25 1h3b h LYS 518 N 0.40 0.00 0.01 1.46 3.64 -0.25 0.11 116.57 121.94 1h3b h LYS 518 Ca 0.17 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1h3b h LYS 518 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1h3b h LYS 518 CO -0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 177.05 1h3b h ALA 519 N 1.75 -0.02 -0.69 5.00 0.00 -0.60 -3.06 119.26 121.63 1h3b h ALA 519 Ca 0.13 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1h3b h ALA 519 Cb 0.65 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.31 1h3b h ALA 519 CO -0.00 -0.02 -0.17 -0.07 0.00 0.00 0.00 179.25 178.98 1h3b h LEU 520 N -0.99 -0.65 0.14 0.00 3.38 -0.02 -0.80 115.31 116.37 1h3b h LEU 520 Ca -0.00 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1h3b h LEU 520 Cb 0.50 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1h3b h LEU 520 CO 0.00 -0.23 -0.31 0.44 0.09 0.00 0.00 178.44 178.44 1h3b h ASP 521 N -0.00 -0.87 -1.12 -0.43 3.32 -0.95 -1.19 116.42 115.17 1h3b h ASP 521 Ca 0.33 0.10 0.37 0.00 0.02 0.00 0.00 57.03 57.85 1h3b h ASP 521 Cb 0.51 0.33 -0.14 0.00 0.22 0.00 0.00 39.33 40.25 1h3b h ASP 521 CO -0.71 -0.40 0.68 -0.25 -1.72 0.00 0.00 179.24 176.84 1h3b h TRP 522 N -0.54 0.74 0.25 4.55 7.01 -1.06 -0.18 115.95 126.73 1h3b h TRP 522 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1h3b h TRP 522 Cb 0.56 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1h3b h TRP 522 CO -0.27 -0.20 -0.12 0.28 -2.79 0.00 0.00 178.44 175.35 1h3b h VAL 523 N 0.21 0.00 -1.09 2.65 2.07 -0.55 -3.08 116.25 116.46 1h3b h VAL 523 Ca 0.76 -0.01 0.35 0.00 0.82 0.00 0.00 66.70 68.62 1h3b h VAL 523 Cb 2.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.68 1h3b h VAL 523 CO -0.52 0.00 0.66 -0.33 0.02 0.00 0.00 177.57 177.40 1h3b h GLU 524 N -0.35 0.25 0.00 1.57 5.08 -0.78 0.11 114.58 120.46 1h3b h GLU 524 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1h3b h GLU 524 Cb 0.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1h3b h GLU 524 CO 0.06 0.17 0.00 1.96 -1.00 0.00 0.00 179.01 180.20 1h3b h GLN 525 N 0.26 0.00 -0.28 2.33 4.20 -1.10 -2.89 115.11 117.63 1h3b h GLN 525 Ca 0.74 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.45 1h3b h GLN 525 Cb 1.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.68 1h3b h GLN 525 CO -0.52 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.36 1h3b n HIS 526 N -2.67 0.71 -2.20 2.96 8.25 0.38 -4.98 115.22 117.67 1h3b n HIS 526 Ca -0.00 -0.73 -0.43 0.00 -0.26 0.00 0.00 57.72 56.30 1h3b n HIS 526 Cb 0.18 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1h3b n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1h3b s GLN 527 N -2.09 4.16 0.74 -0.41 0.74 -1.09 -4.65 119.66 117.04 1h3b s GLN 527 Ca 0.34 1.90 -0.14 0.00 0.05 0.00 0.00 55.36 57.50 1h3b s GLN 527 Cb 0.25 -3.90 0.04 0.00 1.10 0.00 0.00 33.01 30.50 1h3b s GLN 527 CO 0.11 -0.84 1.16 -0.80 -0.55 0.00 0.00 175.29 174.37 1h3b s ASN 528 N 2.86 4.32 0.25 6.67 0.01 -0.34 -4.91 114.94 123.81 1h3b s ASN 528 Ca 0.65 2.20 -0.03 0.00 -0.71 0.00 0.00 52.86 54.97 1h3b s ASN 528 Cb -0.27 -2.57 0.49 0.00 0.41 0.00 0.00 41.25 39.31 1h3b s ASN 528 CO 0.23 -2.17 1.74 1.55 -1.51 0.00 0.00 177.10 176.94 1h3b h PRO 529 N -0.45 0.49 0.00 -0.60 0.13 -1.94 -1.57 132.00 128.06 1h3b h PRO 529 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h3b h PRO 529 Cb 1.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1h3b h PRO 529 CO 0.50 0.33 0.00 -0.40 -0.23 0.00 0.00 178.00 178.20 1h3b n ASP 530 N -4.95 0.00 0.00 1.44 5.68 -1.26 -4.79 116.55 112.66 1h3b n ASP 530 Ca 0.15 -0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1h3b n ASP 530 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1h3b n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h3b n GLY 531 N -0.68 2.92 4.03 6.12 0.00 -0.59 -4.74 105.19 112.24 1h3b n GLY 531 Ca 0.01 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1h3b n GLY 531 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3b s GLY 532 N -1.91 1.75 0.24 -0.02 0.00 -1.26 -3.12 107.32 103.01 1h3b s GLY 532 Ca 0.00 -2.08 0.08 0.00 0.00 0.00 0.00 44.72 42.72 1h3b s GLY 532 CO 0.00 -1.63 0.07 -0.98 0.00 0.00 0.00 173.10 170.57 1h3b s TRP 533 N -2.68 2.89 0.06 1.90 0.51 -1.26 -1.19 118.94 119.16 1h3b s TRP 533 Ca 0.62 -0.16 -0.26 0.00 -2.12 0.00 0.00 56.10 54.18 1h3b s TRP 533 Cb -0.06 -1.31 0.07 0.00 -0.81 0.00 0.00 33.47 31.35 1h3b s TRP 533 CO 0.39 0.56 0.61 0.20 -0.51 0.00 0.00 176.95 178.21 1h3b s GLY 534 N -3.59 -0.57 -0.28 0.98 0.00 -1.25 -1.94 107.32 100.67 1h3b s GLY 534 Ca 0.31 0.81 0.01 0.00 0.00 0.00 0.00 44.72 45.85 1h3b s GLY 534 CO 0.22 0.48 0.47 1.85 0.00 0.00 0.00 173.10 176.11 1h3b s GLU 535 N -2.57 0.45 0.62 2.90 2.12 -1.25 -3.30 118.70 117.67 1h3b s GLU 535 Ca -0.05 0.50 -0.18 0.00 0.36 0.00 0.00 54.97 55.60 1h3b s GLU 535 Cb -0.01 -0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.28 1h3b s GLU 535 CO -0.02 -0.85 1.20 0.34 -0.54 0.00 0.00 175.26 175.39 1h3b s ASP 536 N 2.66 5.03 0.16 -1.70 2.15 0.76 -4.73 116.67 120.99 1h3b s ASP 536 Ca 0.13 2.37 0.13 0.00 0.43 0.00 0.00 52.55 55.61 1h3b s ASP 536 Cb -0.13 -2.60 0.65 0.00 -0.30 0.00 0.00 42.92 40.54 1h3b s ASP 536 CO -0.24 -1.70 1.40 0.00 -0.17 0.00 0.00 175.17 174.46 1h3b h ARG 538 N 0.00 0.00 0.00 0.00 3.08 -1.94 -2.78 114.38 112.74 1h3b h ARG 538 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h3b h ARG 538 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1h3b h ARG 538 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1h3b n SER 539 N -2.51 0.00 -0.00 7.04 3.41 -0.62 -0.70 113.62 120.23 1h3b n SER 539 Ca 0.00 0.19 -0.04 0.00 -0.26 0.00 0.00 58.87 58.76 1h3b n SER 539 Cb 0.18 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 1h3b n SER 539 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1h3b n TYR 540 N -1.26 0.91 -0.10 7.33 4.01 -1.05 -4.50 117.16 122.50 1h3b n TYR 540 Ca 0.02 0.32 -0.16 0.00 -0.16 0.00 0.00 57.90 57.91 1h3b n TYR 540 Cb 0.03 -1.12 -0.07 0.00 -0.31 0.00 0.00 39.34 37.87 1h3b n TYR 540 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h3b n GLU 541 N -2.94 0.53 -3.91 -0.72 -0.58 0.12 -4.77 120.64 108.38 1h3b n GLU 541 Ca -0.14 0.50 -0.35 0.00 -0.42 0.00 0.00 57.16 56.74 1h3b n GLU 541 Cb 0.95 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 30.01 1h3b n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1h3b s ASP 542 N -6.51 4.68 0.28 1.62 2.15 -0.30 -4.99 116.67 113.60 1h3b s ASP 542 Ca -0.26 -1.03 0.13 0.00 0.43 0.00 0.00 52.55 51.82 1h3b s ASP 542 Cb 0.06 -1.72 0.69 0.00 -0.30 0.00 0.00 42.92 41.65 1h3b s ASP 542 CO 0.45 -0.20 1.29 -0.81 -0.17 0.00 0.00 175.17 175.73 1h3b n PRO 543 N 4.68 0.09 0.20 4.34 -0.04 -1.26 -1.44 135.00 141.56 1h3b n PRO 543 Ca -0.15 0.55 0.05 0.00 -0.04 0.00 0.00 63.50 63.91 1h3b n PRO 543 Cb 0.45 -2.01 0.42 0.00 -0.04 0.00 0.00 33.50 32.33 1h3b n PRO 543 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h3b h ALA 544 N 1.36 1.21 -0.01 0.55 0.00 -1.93 -2.83 119.26 117.62 1h3b h ALA 544 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1h3b h ALA 544 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h3b h ALA 544 CO 0.00 0.41 -0.03 0.66 0.00 0.00 0.00 179.25 180.29 1h3b n TYR 545 N -3.80 0.00 -1.62 0.00 4.01 -0.52 -4.72 117.16 110.51 1h3b n TYR 545 Ca -0.01 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.26 1h3b n TYR 545 Cb 0.42 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 1h3b n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h3b n ALA 546 N -0.43 1.26 0.00 -0.72 0.00 -1.07 0.04 120.51 119.58 1h3b n ALA 546 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1h3b n ALA 546 Cb 0.26 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1h3b n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3b n GLY 547 N 5.13 2.74 3.87 0.00 0.00 -1.26 -5.01 105.19 110.66 1h3b n GLY 547 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1h3b n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3b s LYS 548 N -0.15 3.78 0.00 1.61 1.02 0.11 -4.47 119.74 121.64 1h3b s LYS 548 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.19 1h3b s LYS 548 Cb 0.00 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1h3b s LYS 548 CO 0.00 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 1h3b n GLY 549 N 0.61 3.94 3.68 -3.33 0.00 -1.21 -0.17 105.19 108.71 1h3b n GLY 549 Ca -0.05 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1h3b n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3b n ALA 550 N -1.80 1.02 -1.84 4.61 0.00 -1.26 -3.91 120.51 117.33 1h3b n ALA 550 Ca 0.00 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1h3b n ALA 550 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 1h3b n ALA 550 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1h3b s SER 551 N -0.28 6.88 0.11 0.00 0.01 -1.26 -3.95 113.70 115.21 1h3b s SER 551 Ca 0.57 2.54 0.05 0.00 1.31 0.00 0.00 55.95 60.43 1h3b s SER 551 Cb -0.60 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 62.96 1h3b s SER 551 CO 0.60 -0.48 -0.13 0.42 0.41 0.00 0.00 173.24 174.07 1h3b s THR 552 N -0.72 1.18 0.21 1.44 -4.23 -0.82 -4.92 115.64 107.78 1h3b s THR 552 Ca 0.51 -1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.28 1h3b s THR 552 Cb -0.38 -1.41 0.15 0.00 1.34 0.00 0.00 72.50 72.20 1h3b s THR 552 CO 0.46 -0.44 1.87 -0.65 -0.54 0.00 0.00 174.62 175.33 1h3b h PRO 553 N 3.63 0.95 0.53 3.99 0.11 -1.88 -1.57 132.00 137.77 1h3b h PRO 553 Ca -0.39 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1h3b h PRO 553 Cb 1.19 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 32.09 1h3b h PRO 553 CO 0.50 0.63 -0.26 0.66 -0.21 0.00 0.00 178.00 179.32 1h3b h SER 554 N 0.98 -0.60 -0.38 -2.05 4.64 -1.85 -1.33 113.55 112.95 1h3b h SER 554 Ca 0.28 -0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.69 1h3b h SER 554 Cb -0.09 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1h3b h SER 554 CO -0.07 -0.20 0.31 1.56 -0.87 0.00 0.00 176.83 177.56 1h3b h GLN 555 N -1.14 0.00 -0.07 4.77 4.20 -1.84 0.21 115.11 121.25 1h3b h GLN 555 Ca -0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1h3b h GLN 555 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1h3b h GLN 555 CO 0.12 0.00 -0.22 1.15 -0.67 0.00 0.00 178.83 179.21 1h3b h THR 556 N 0.00 1.43 -0.82 -0.54 2.02 -1.25 -2.71 112.91 111.04 1h3b h THR 556 Ca 0.18 -1.60 0.07 0.00 0.77 0.00 0.00 66.41 65.83 1h3b h THR 556 Cb 0.80 2.29 -0.05 0.00 -1.74 0.00 0.00 68.15 69.44 1h3b h THR 556 CO -0.00 0.45 0.53 0.00 0.37 0.00 0.00 175.52 176.87 1h3b h ALA 557 N 0.45 1.62 0.50 6.16 0.00 0.50 0.67 119.26 129.16 1h3b h ALA 557 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1h3b h ALA 557 Cb 0.84 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1h3b h ALA 557 CO 0.05 0.25 -0.24 -1.49 0.00 0.00 0.00 179.25 177.82 1h3b h TRP 558 N 0.88 -0.62 -0.21 0.00 6.55 -0.89 -0.26 115.95 121.41 1h3b h TRP 558 Ca 0.36 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.18 1h3b h TRP 558 Cb 0.26 0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.75 1h3b h TRP 558 CO -0.00 -0.30 0.13 0.00 -1.05 0.00 0.00 178.44 177.21 1h3b h ALA 559 N -0.48 1.84 -0.02 1.49 0.00 -1.21 0.09 119.26 120.97 1h3b h ALA 559 Ca -0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1h3b h ALA 559 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1h3b h ALA 559 CO 0.11 0.15 -0.44 1.25 0.00 0.00 0.00 179.25 180.32 1h3b h LEU 560 N 0.28 0.04 -0.08 0.00 5.85 -0.63 -2.29 115.31 118.47 1h3b h LEU 560 Ca 0.08 -0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.54 1h3b h LEU 560 Cb -0.02 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.02 1h3b h LEU 560 CO -0.01 0.48 -0.87 0.24 -0.34 0.00 0.00 178.44 177.93 1h3b h MET 561 N 0.03 0.74 -0.33 1.25 2.86 0.84 -1.65 114.93 118.67 1h3b h MET 561 Ca -0.00 -0.68 0.03 0.00 -2.06 0.00 0.00 59.70 56.99 1h3b h MET 561 Cb 0.80 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 1h3b h MET 561 CO 0.06 1.28 0.15 0.00 1.06 0.00 0.00 176.91 179.45 1h3b h ALA 562 N 0.48 0.40 -0.38 6.32 0.00 -1.15 0.53 119.26 125.46 1h3b h ALA 562 Ca -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1h3b h ALA 562 Cb 1.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1h3b h ALA 562 CO 0.18 -0.24 0.17 -0.07 0.00 0.00 0.00 179.25 179.28 1h3b h LEU 563 N 0.31 0.50 -0.86 0.00 3.38 -1.40 -0.17 115.31 117.08 1h3b h LEU 563 Ca 0.14 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1h3b h LEU 563 Cb 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1h3b h LEU 563 CO -0.12 0.51 0.35 0.40 0.09 0.00 0.00 178.44 179.68 1h3b h ILE 564 N 0.46 1.26 -0.37 1.22 2.04 -0.97 -1.77 117.51 119.39 1h3b h ILE 564 Ca 0.13 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1h3b h ILE 564 Cb 0.15 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1h3b h ILE 564 CO -0.01 0.32 0.09 0.00 0.00 0.00 0.00 178.15 178.55 1h3b h ALA 565 N 1.22 0.49 0.00 1.87 0.00 -0.64 -2.90 119.26 119.30 1h3b h ALA 565 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1h3b h ALA 565 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1h3b h ALA 565 CO -0.03 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1h3b n GLY 566 N -0.57 1.35 3.83 0.00 0.00 -0.10 -4.82 105.19 104.88 1h3b n GLY 566 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1h3b n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 567 N 0.27 1.86 1.02 -0.02 0.00 -1.09 -4.86 105.19 102.37 1h3b n GLY 567 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h3b n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3b n ARG 568 N -1.95 0.98 0.17 1.61 1.74 -0.69 -4.47 116.66 114.06 1h3b n ARG 568 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1h3b n ARG 568 Cb 0.00 -1.01 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 1h3b n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h3b h ALA 569 N 1.96 -1.04 -0.92 7.54 0.00 -1.79 -3.19 119.26 121.82 1h3b h ALA 569 Ca 0.00 -0.14 -0.61 0.00 0.00 0.00 0.00 54.91 54.16 1h3b h ALA 569 Cb 0.98 0.85 -0.08 0.00 0.00 0.00 0.00 17.79 19.54 1h3b h ALA 569 CO 0.00 -1.15 1.82 -1.21 0.00 0.00 0.00 179.25 178.71 1h3b s GLU 570 N -5.81 3.69 0.10 0.00 2.02 -1.26 -4.37 118.70 113.08 1h3b s GLU 570 Ca -0.17 -1.56 -0.01 0.00 0.02 0.00 0.00 54.97 53.25 1h3b s GLU 570 Cb 0.06 -5.44 -0.04 0.00 0.10 0.00 0.00 34.13 28.81 1h3b s GLU 570 CO 0.61 -2.40 0.02 0.45 0.02 0.00 0.00 175.26 173.96 1h3b s SER 571 N 4.80 0.40 0.02 -0.19 0.15 -1.20 -5.02 113.70 112.65 1h3b s SER 571 Ca 0.53 -1.14 -0.27 0.00 0.70 0.00 0.00 55.95 55.77 1h3b s SER 571 Cb 0.02 0.26 -0.15 0.00 -1.71 0.00 0.00 66.02 64.44 1h3b s SER 571 CO 0.02 -0.68 1.13 -0.08 1.20 0.00 0.00 173.24 174.83 1h3b h GLU 572 N 2.96 -0.95 -0.81 5.44 4.57 -1.90 0.14 114.58 124.04 1h3b h GLU 572 Ca -0.35 0.06 0.18 0.00 -1.18 0.00 0.00 59.36 58.07 1h3b h GLU 572 Cb 1.18 0.22 -0.11 0.00 -0.16 0.00 0.00 28.75 29.87 1h3b h GLU 572 CO 0.62 -0.63 0.31 0.00 -1.18 0.00 0.00 179.01 178.12 1h3b h ALA 573 N -1.27 1.18 0.64 2.92 0.00 -1.96 0.36 119.26 121.13 1h3b h ALA 573 Ca -0.10 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1h3b h ALA 573 Cb 0.75 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1h3b h ALA 573 CO 0.16 -0.28 -0.31 0.00 0.00 0.00 0.00 179.25 178.82 1h3b h ALA 574 N 1.63 -0.86 -0.44 0.00 0.00 -1.80 0.74 119.26 118.53 1h3b h ALA 574 Ca 0.47 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1h3b h ALA 574 Cb 0.81 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1h3b h ALA 574 CO -0.48 -0.94 0.03 0.00 0.00 0.00 0.00 179.25 177.86 1h3b h ARG 575 N -0.96 0.14 -0.32 0.00 3.08 0.04 -1.23 114.38 115.13 1h3b h ARG 575 Ca -0.09 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.02 1h3b h ARG 575 Cb 0.69 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 1h3b h ARG 575 CO 0.14 0.09 -0.13 0.00 -1.07 0.00 0.00 179.97 179.00 1h3b h ARG 576 N 0.14 -0.07 -0.24 0.04 2.47 -0.16 -1.09 114.38 115.46 1h3b h ARG 576 Ca 0.22 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1h3b h ARG 576 Cb 0.31 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 1h3b h ARG 576 CO -0.34 -0.05 0.14 0.78 0.56 0.00 0.00 179.97 181.05 1h3b h GLY 577 N -0.08 0.33 0.62 0.04 0.00 -0.10 -2.02 103.07 101.85 1h3b h GLY 577 Ca 0.16 -0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.48 1h3b h GLY 577 CO -0.37 0.09 0.60 -2.08 0.00 0.00 0.00 176.54 174.78 1h3b h VAL 578 N 0.28 1.00 0.27 4.60 2.07 -0.80 -1.53 116.25 122.15 1h3b h VAL 578 Ca 0.10 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1h3b h VAL 578 Cb 0.00 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.63 1h3b h VAL 578 CO -0.05 0.19 -0.26 -0.61 0.02 0.00 0.00 177.57 176.86 1h3b h GLN 579 N 1.03 -0.54 -0.67 1.57 5.75 -0.67 -1.46 115.11 120.12 1h3b h GLN 579 Ca 0.44 0.04 0.12 0.00 -0.15 0.00 0.00 58.65 59.10 1h3b h GLN 579 Cb 0.30 0.12 -0.12 0.00 1.07 0.00 0.00 27.48 28.85 1h3b h GLN 579 CO -0.21 -0.36 -0.32 -0.92 -2.65 0.00 0.00 178.83 174.37 1h3b h TYR 580 N -0.56 -0.86 -0.49 3.99 5.03 -0.60 0.31 116.97 123.79 1h3b h TYR 580 Ca -0.01 0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 1h3b h TYR 580 Cb 0.52 0.48 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 1h3b h TYR 580 CO -0.17 -0.38 0.18 -0.07 -1.32 0.00 0.00 178.16 176.40 1h3b h LEU 581 N -0.11 0.65 -0.87 2.82 3.38 -1.22 -0.38 115.31 119.58 1h3b h LEU 581 Ca 0.27 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1h3b h LEU 581 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1h3b h LEU 581 CO -0.74 0.60 -0.10 0.58 0.09 0.00 0.00 178.44 178.87 1h3b h VAL 582 N 0.70 1.25 0.02 1.22 2.07 0.61 -2.90 116.25 119.21 1h3b h VAL 582 Ca 0.17 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1h3b h VAL 582 Cb 0.17 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1h3b h VAL 582 CO -0.01 0.38 -0.01 -0.33 0.02 0.00 0.00 177.57 177.62 1h3b h GLU 583 N 0.66 -0.02 0.00 1.57 5.08 -0.51 -3.33 114.58 118.04 1h3b h GLU 583 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1h3b h GLU 583 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1h3b h GLU 583 CO 0.03 0.37 0.05 0.25 -1.00 0.00 0.00 179.01 178.71 1h3b n THR 584 N -4.73 1.48 -1.94 1.13 -2.24 -0.19 -4.72 114.28 103.07 1h3b n THR 584 Ca -0.04 0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 61.93 1h3b n THR 584 Cb 0.19 -1.60 -0.01 0.00 -2.10 0.00 0.00 70.33 66.82 1h3b n THR 584 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1h3b s GLN 585 N -3.16 4.13 0.71 -0.78 0.74 -1.10 -4.67 119.66 115.53 1h3b s GLN 585 Ca -0.01 2.38 -0.11 0.00 0.05 0.00 0.00 55.36 57.68 1h3b s GLN 585 Cb 0.02 -2.94 0.03 0.00 1.10 0.00 0.00 33.01 31.22 1h3b s GLN 585 CO 0.07 -0.44 1.09 1.03 -0.55 0.00 0.00 175.29 176.49 1h3b s ARG 586 N -2.05 2.71 0.40 1.67 0.52 -0.55 -4.97 118.95 116.68 1h3b s ARG 586 Ca 0.53 0.34 0.08 0.00 -0.52 0.00 0.00 55.73 56.16 1h3b s ARG 586 Cb -0.43 -2.04 0.84 0.00 0.52 0.00 0.00 34.95 33.84 1h3b s ARG 586 CO 0.57 -1.09 2.01 -1.35 0.02 0.00 0.00 175.30 175.46 1h3b h PRO 587 N -0.67 0.42 0.00 3.54 0.11 -1.95 -2.33 132.00 131.12 1h3b h PRO 587 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1h3b h PRO 587 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1h3b h PRO 587 CO 0.64 0.36 -0.21 0.38 -0.21 0.00 0.00 178.00 178.96 1h3b h ASP 588 N 0.42 0.00 0.00 -2.05 3.04 -1.96 -3.47 116.42 112.40 1h3b h ASP 588 Ca 0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1h3b h ASP 588 Cb 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 1h3b h ASP 588 CO -0.01 0.21 0.00 0.61 -2.04 0.00 0.00 179.24 178.01 1h3b n GLY 589 N 0.34 0.84 0.00 7.15 0.00 -0.88 -4.51 105.19 108.13 1h3b n GLY 589 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1h3b n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3b n GLY 590 N 0.00 -1.67 3.17 -0.02 0.00 -1.26 -4.05 105.19 101.36 1h3b n GLY 590 Ca 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 1h3b n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h3b s TRP 591 N -0.29 0.30 0.29 1.61 0.51 -1.26 -1.48 118.94 118.61 1h3b s TRP 591 Ca 0.00 -0.76 0.08 0.00 -2.12 0.00 0.00 56.10 53.29 1h3b s TRP 591 Cb 0.00 -0.18 -0.04 0.00 -0.81 0.00 0.00 33.47 32.45 1h3b s TRP 591 CO 0.00 -0.50 0.18 -0.51 -0.51 0.00 0.00 176.95 175.61 1h3b s ASP 592 N -2.89 5.17 -0.43 2.95 1.01 -1.26 -4.78 116.67 116.44 1h3b s ASP 592 Ca 0.07 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 52.89 1h3b s ASP 592 Cb 0.06 -1.09 0.19 0.00 1.01 0.00 0.00 42.92 43.09 1h3b s ASP 592 CO -0.10 -0.16 0.81 -0.70 0.21 0.00 0.00 175.17 175.23 1h3b s GLU 593 N -3.86 0.72 0.00 8.23 2.12 -1.26 -4.51 118.70 120.15 1h3b s GLU 593 Ca 0.36 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.18 1h3b s GLU 593 Cb -0.06 0.01 0.19 0.00 0.26 0.00 0.00 34.13 34.53 1h3b s GLU 593 CO 0.24 -0.95 0.68 -0.35 -0.54 0.00 0.00 175.26 174.34 1h3b n PRO 594 N 3.42 0.51 -4.42 4.30 -0.04 -1.26 -4.74 135.00 132.77 1h3b n PRO 594 Ca 0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 1h3b n PRO 594 Cb 0.59 -1.10 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 1h3b n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h3b s TYR 595 N -2.00 2.43 -0.01 0.54 2.02 -1.26 -4.73 117.35 114.34 1h3b s TYR 595 Ca 0.05 -0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 1h3b s TYR 595 Cb 0.02 -1.16 -0.06 0.00 -0.40 0.00 0.00 41.96 40.37 1h3b s TYR 595 CO 0.04 0.65 0.47 0.71 -1.57 0.00 0.00 175.55 175.85 1h3b s TYR 596 N -2.48 3.70 -0.01 2.71 1.51 -1.26 -4.94 117.35 116.58 1h3b s TYR 596 Ca 0.31 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.43 1h3b s TYR 596 Cb -0.04 -2.42 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1h3b s TYR 596 CO 0.17 0.50 0.86 0.25 -1.11 0.00 0.00 175.55 176.22 1h3b n THR 597 N 2.28 0.72 -4.73 -0.71 -2.24 -1.25 -4.78 114.28 103.58 1h3b n THR 597 Ca -0.11 -0.75 -0.31 0.00 -2.27 0.00 0.00 64.05 60.61 1h3b n THR 597 Cb 0.52 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 69.23 1h3b n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h3b s GLY 598 N -0.81 1.56 -0.12 3.38 0.00 -0.96 -1.19 107.32 109.18 1h3b s GLY 598 Ca 0.02 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.62 1h3b s GLY 598 CO 0.00 -0.99 -0.15 -1.59 0.00 0.00 0.00 173.10 170.37 1h3b s THR 599 N -0.87 2.84 -0.13 0.90 2.01 -1.19 -1.21 115.64 117.98 1h3b s THR 599 Ca 0.14 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 1h3b s THR 599 Cb -0.11 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1h3b s THR 599 CO 0.04 0.53 -0.19 0.61 -0.69 0.00 0.00 174.62 174.93 1h3b n GLY 600 N 3.51 -0.80 2.74 4.40 0.00 0.19 -4.31 105.19 110.92 1h3b n GLY 600 Ca -0.18 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1h3b n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3b s PHE 601 N -2.20 0.47 0.02 1.61 0.08 -0.02 -4.96 117.98 112.98 1h3b s PHE 601 Ca -0.16 -0.03 -0.37 0.00 0.12 0.00 0.00 56.93 56.49 1h3b s PHE 601 Cb 0.02 -0.69 -0.17 0.00 -0.57 0.00 0.00 43.02 41.61 1h3b s PHE 601 CO 0.23 -0.28 1.40 -2.30 -0.10 0.00 0.00 175.22 174.17 1h3b n PRO 602 N 5.17 1.09 -0.21 0.24 -0.02 -1.26 -1.29 135.00 138.73 1h3b n PRO 602 Ca -0.06 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1h3b n PRO 602 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1h3b n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3b n GLY 603 N 2.77 1.60 0.00 -1.23 0.00 -1.26 -4.74 105.19 102.32 1h3b n GLY 603 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1h3b n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h3b n ASP 604 N 0.00 3.17 -3.53 1.61 8.00 -0.41 -5.02 116.55 120.37 1h3b n ASP 604 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1h3b n ASP 604 Cb 0.00 0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 1h3b n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1h3b s PHE 605 N -1.37 -1.09 0.22 1.24 5.36 -0.92 -4.94 117.98 116.48 1h3b s PHE 605 Ca 0.00 1.68 0.10 0.00 -0.96 0.00 0.00 56.93 57.75 1h3b s PHE 605 Cb 0.00 0.45 -0.04 0.00 -0.34 0.00 0.00 43.02 43.08 1h3b s PHE 605 CO 0.00 -0.64 -0.12 0.71 -1.46 0.00 0.00 175.22 173.71 1h3b s TYR 606 N 2.73 2.52 0.15 10.12 1.51 -1.26 -0.64 117.35 132.48 1h3b s TYR 606 Ca 0.03 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1h3b s TYR 606 Cb -0.13 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1h3b s TYR 606 CO -0.16 0.57 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.19 1h3b s LEU 607 N -3.12 2.44 -0.29 -1.29 1.43 -0.35 -4.47 118.68 113.04 1h3b s LEU 607 Ca 0.27 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1h3b s LEU 607 Cb -0.07 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.54 1h3b s LEU 607 CO 0.15 -0.11 -0.04 -0.83 0.23 0.00 0.00 176.35 175.75 1h3b s GLY 608 N -2.68 1.72 -0.75 -3.19 0.00 0.14 -2.26 107.32 100.32 1h3b s GLY 608 Ca 0.14 -1.79 -0.22 0.00 0.00 0.00 0.00 44.72 42.84 1h3b s GLY 608 CO 0.05 0.67 1.05 -0.19 0.00 0.00 0.00 173.10 174.67 1h3b s TYR 609 N 1.18 2.74 0.54 1.90 1.51 -1.26 -1.29 117.35 122.68 1h3b s TYR 609 Ca -0.06 -0.73 0.41 0.00 -1.01 0.00 0.00 57.07 55.68 1h3b s TYR 609 Cb -0.20 -4.33 1.61 0.00 -0.11 0.00 0.00 41.96 38.93 1h3b s TYR 609 CO -0.03 -1.65 1.70 1.15 -1.11 0.00 0.00 175.55 175.61 1h3b h THR 610 N 5.99 0.24 0.00 -0.71 2.02 -1.84 -0.55 112.91 118.06 1h3b h THR 610 Ca -0.16 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1h3b h THR 610 Cb 1.06 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1h3b h THR 610 CO 1.19 0.00 -0.84 0.24 0.37 0.00 0.00 175.52 176.48 1h3b h MET 611 N 0.02 0.00 -0.67 6.66 2.86 -1.89 -3.38 114.93 118.52 1h3b h MET 611 Ca 0.73 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.50 1h3b h MET 611 Cb 2.87 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 34.43 1h3b h MET 611 CO -0.04 0.00 0.19 1.88 1.06 0.00 0.00 176.91 180.00 1h3b h TYR 612 N 0.00 0.30 -0.11 -0.22 -1.99 -1.51 0.20 116.97 113.64 1h3b h TYR 612 Ca 0.00 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.80 1h3b h TYR 612 Cb 0.93 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.63 1h3b h TYR 612 CO 0.00 -0.02 0.16 0.07 -0.00 0.00 0.00 178.16 178.37 1h3b h ARG 613 N 0.31 0.00 0.00 4.88 0.11 -1.74 -2.42 114.38 115.51 1h3b h ARG 613 Ca 0.36 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.06 1h3b h ARG 613 Cb 0.56 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.58 1h3b h ARG 613 CO -0.43 0.00 -2.37 0.72 0.10 0.00 0.00 179.97 177.99 1h3b n HIS 614 N -3.61 0.00 0.05 4.08 8.25 -0.32 -4.31 115.22 119.36 1h3b n HIS 614 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1h3b n HIS 614 Cb 0.26 -0.91 -0.09 0.00 1.12 0.00 0.00 29.99 30.38 1h3b n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h3b h VAL 615 N -0.33 1.07 -0.43 1.59 2.07 -0.92 -3.01 116.25 116.28 1h3b h VAL 615 Ca -0.57 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 1h3b h VAL 615 Cb 1.72 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1h3b h VAL 615 CO -0.19 0.21 0.12 -0.26 0.02 0.00 0.00 177.57 177.47 1h3b h PHE 616 N -0.60 0.71 -0.96 1.57 0.04 -1.67 0.43 116.94 116.47 1h3b h PHE 616 Ca -0.02 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.72 1h3b h PHE 616 Cb 0.47 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 1h3b h PHE 616 CO 0.06 0.65 0.62 -1.35 -0.60 0.00 0.00 178.31 177.70 1h3b h PRO 617 N 0.56 1.15 -0.55 1.51 0.11 -1.73 0.36 132.00 133.41 1h3b h PRO 617 Ca 0.14 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1h3b h PRO 617 Cb 0.28 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1h3b h PRO 617 CO -0.00 0.76 0.22 1.15 -0.21 0.00 0.00 178.00 179.92 1h3b h THR 618 N 1.19 1.22 -0.48 -1.15 2.02 -1.33 0.07 112.91 114.45 1h3b h THR 618 Ca 0.39 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 1h3b h THR 618 Cb 0.04 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1h3b h THR 618 CO -0.13 0.26 0.15 0.25 0.37 0.00 0.00 175.52 176.42 1h3b h LEU 619 N 0.75 0.69 -0.48 2.58 5.85 0.21 0.35 115.31 125.26 1h3b h LEU 619 Ca 0.18 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1h3b h LEU 619 Cb 0.20 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1h3b h LEU 619 CO -0.02 0.71 -0.04 0.00 -0.34 0.00 0.00 178.44 178.76 1h3b h ALA 620 N 1.01 0.65 -0.37 1.25 0.00 -0.14 -2.12 119.26 119.54 1h3b h ALA 620 Ca 0.15 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1h3b h ALA 620 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1h3b h ALA 620 CO -0.01 0.48 -0.16 -0.07 0.00 0.00 0.00 179.25 179.50 1h3b h LEU 621 N 0.72 0.67 -1.54 0.00 3.38 -0.83 -1.21 115.31 116.50 1h3b h LEU 621 Ca 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1h3b h LEU 621 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1h3b h LEU 621 CO 0.03 0.85 -0.23 1.23 0.09 0.00 0.00 178.44 180.41 1h3b h GLY 622 N 0.98 0.00 1.55 0.83 0.00 -0.71 -1.44 103.07 104.28 1h3b h GLY 622 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1h3b h GLY 622 CO 0.04 0.00 -0.85 3.21 0.00 0.00 0.00 176.54 178.94 1h3b h ARG 623 N 0.00 0.00 0.03 4.80 3.08 -0.80 -2.61 114.38 118.88 1h3b h ARG 623 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h3b h ARG 623 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1h3b h ARG 623 CO 0.03 0.36 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.36 1h3b h TYR 624 N 0.00 -0.03 0.00 3.04 3.20 -0.85 -2.07 116.97 120.25 1h3b h TYR 624 Ca -0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1h3b h TYR 624 Cb 1.41 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.69 1h3b h TYR 624 CO 0.00 0.63 0.00 -0.22 -1.64 0.00 0.00 178.16 176.93 1h3b h LYS 625 N -0.75 0.00 0.13 1.82 3.64 -1.37 -0.99 116.57 119.05 1h3b h LYS 625 Ca -0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 1h3b h LYS 625 Cb 0.68 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1h3b h LYS 625 CO 0.01 0.00 -0.95 0.37 -2.27 0.00 0.00 179.45 176.60 1h3b h GLN 626 N 0.00 0.41 -1.63 1.90 5.75 -1.22 -3.09 115.11 117.24 1h3b h GLN 626 Ca 0.00 -0.62 0.00 0.00 -0.15 0.00 0.00 58.65 57.88 1h3b h GLN 626 Cb 0.05 0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1h3b h GLN 626 CO 0.00 1.27 0.00 0.00 -2.65 0.00 0.00 178.83 177.45 1h3b n ALA 627 N -2.66 3.26 -1.00 3.38 0.00 -0.38 -4.28 120.51 118.83 1h3b n ALA 627 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1h3b n ALA 627 Cb 0.87 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1h3b n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1h3b n ILE 628 N 1.14 0.00 0.00 0.00 5.41 -1.24 -4.91 119.36 119.76 1h3b n ILE 628 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1h3b n ILE 628 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 1h3b n ILE 628 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76