#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h39 h TYR 11 N 0.00 0.00 -0.99 0.00 -0.00 -2.01 -3.32 116.97 110.66 1h39 h TYR 11 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.73 58.86 1h39 h TYR 11 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.59 1h39 h TYR 11 CO 0.00 0.26 -0.47 0.00 -0.00 0.00 0.00 178.16 177.95 1h39 n ALA 12 N -2.29 -0.34 -0.32 0.10 0.00 -1.26 0.13 120.51 116.54 1h39 n ALA 12 Ca -0.01 0.92 0.14 0.00 0.00 0.00 0.00 53.44 54.49 1h39 n ALA 12 Cb 0.40 -0.31 0.32 0.00 0.00 0.00 0.00 19.45 19.86 1h39 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h39 h ARG 13 N 0.00 0.47 -0.43 0.00 3.08 -2.00 0.19 114.38 115.68 1h39 h ARG 13 Ca 0.26 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.34 1h39 h ARG 13 Cb 0.51 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1h39 h ARG 13 CO -0.96 0.31 0.15 1.15 -1.07 0.00 0.00 179.97 179.55 1h39 h THR 14 N 0.48 0.86 0.78 2.04 2.02 -0.54 -0.99 112.91 117.57 1h39 h THR 14 Ca 0.57 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.61 1h39 h THR 14 Cb 1.07 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1h39 h THR 14 CO -0.49 0.06 -0.38 -0.07 0.37 0.00 0.00 175.52 175.01 1h39 h LEU 15 N 0.32 -0.89 -1.13 2.58 3.38 -0.38 0.13 115.31 119.32 1h39 h LEU 15 Ca 0.20 0.03 0.35 0.00 0.09 0.00 0.00 57.88 58.55 1h39 h LEU 15 Cb 0.20 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.04 1h39 h LEU 15 CO -0.21 -0.61 0.64 0.44 0.09 0.00 0.00 178.44 178.79 1h39 h ASP 16 N -1.11 0.44 -0.06 -0.43 3.32 -1.14 1.28 116.42 118.73 1h39 h ASP 16 Ca -0.11 0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1h39 h ASP 16 Cb 0.81 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1h39 h ASP 16 CO 0.18 -0.14 -0.23 0.03 -1.72 0.00 0.00 179.24 177.35 1h39 h ARG 17 N 0.26 0.26 -0.65 3.56 3.08 -1.00 -2.36 114.38 117.52 1h39 h ARG 17 Ca 0.75 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.57 1h39 h ARG 17 Cb 1.89 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.95 1h39 h ARG 17 CO -0.54 0.84 0.31 0.00 -1.07 0.00 0.00 179.97 179.51 1h39 h ALA 18 N 0.42 0.84 0.04 0.04 0.00 0.28 -2.14 119.26 118.73 1h39 h ALA 18 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1h39 h ALA 18 Cb 0.88 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1h39 h ALA 18 CO 0.05 0.40 -0.02 0.28 0.00 0.00 0.00 179.25 179.96 1h39 h VAL 19 N 0.90 1.06 0.00 0.00 2.07 0.13 -2.12 116.25 118.29 1h39 h VAL 19 Ca 0.22 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1h39 h VAL 19 Cb 0.12 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1h39 h VAL 19 CO -0.03 0.08 -0.02 1.05 0.02 0.00 0.00 177.57 178.68 1h39 h GLU 20 N -0.20 0.00 0.06 1.57 4.11 -1.32 -2.53 114.58 116.28 1h39 h GLU 20 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1h39 h GLU 20 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1h39 h GLU 20 CO 0.01 0.02 -0.03 -0.92 0.07 0.00 0.00 179.01 178.16 1h39 h TYR 21 N 0.00 -0.07 -0.65 2.06 3.20 -0.75 -2.73 116.97 118.02 1h39 h TYR 21 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1h39 h TYR 21 Cb 0.10 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 1h39 h TYR 21 CO 0.00 0.51 0.28 -0.07 -1.64 0.00 0.00 178.16 177.24 1h39 h LEU 22 N -0.76 0.33 -2.33 2.82 3.38 -1.03 0.17 115.31 117.89 1h39 h LEU 22 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1h39 h LEU 22 Cb 0.62 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1h39 h LEU 22 CO 0.01 0.19 -0.04 -0.07 0.09 0.00 0.00 178.44 178.63 1h39 h LEU 23 N 0.49 0.00 0.00 1.67 3.38 -1.53 -1.03 115.31 118.30 1h39 h LEU 23 Ca 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1h39 h LEU 23 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1h39 h LEU 23 CO -0.29 0.04 -0.52 0.77 0.09 0.00 0.00 178.44 178.54 1h39 h SER 24 N 0.00 0.00 1.02 -0.43 4.64 -0.37 -3.27 113.55 115.13 1h39 h SER 24 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h39 h SER 24 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1h39 h SER 24 CO 0.01 0.16 -0.96 0.00 -0.87 0.00 0.00 176.83 175.17 1h39 n GLN 26 N -2.67 2.44 -1.77 0.00 7.27 -0.78 -4.82 117.38 117.06 1h39 n GLN 26 Ca 0.00 0.86 -0.30 0.00 0.07 0.00 0.00 57.00 57.64 1h39 n GLN 26 Cb 0.55 -2.57 0.17 0.00 2.41 0.00 0.00 30.24 30.80 1h39 n GLN 26 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h39 s LYS 27 N -1.06 0.62 0.02 3.69 3.01 0.02 -4.96 119.74 121.08 1h39 s LYS 27 Ca 0.61 -0.22 -0.25 0.00 -1.01 0.00 0.00 55.97 55.10 1h39 s LYS 27 Cb -0.54 -1.83 -0.18 0.00 -1.01 0.00 0.00 37.83 34.28 1h39 s LYS 27 CO 0.54 -2.46 1.41 -0.44 0.51 0.00 0.00 175.35 174.92 1h39 h ASP 28 N -1.67 -0.14 0.00 2.83 5.19 -1.94 -2.75 116.42 117.93 1h39 h ASP 28 Ca -0.45 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 55.73 1h39 h ASP 28 Cb 1.27 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1h39 h ASP 28 CO 0.44 0.15 0.34 -0.62 -3.12 0.00 0.00 179.24 176.43 1h39 n GLU 29 N -5.04 0.08 0.00 3.56 4.71 -1.26 -4.74 120.64 117.96 1h39 n GLU 29 Ca -0.09 0.56 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1h39 n GLU 29 Cb 0.19 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.52 1h39 n GLU 29 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1h39 n GLY 30 N -1.27 0.93 3.70 0.62 0.00 -1.04 -4.71 105.19 103.42 1h39 n GLY 30 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1h39 n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h39 s TYR 31 N -2.00 2.60 0.09 1.61 -0.85 -1.26 -3.19 117.35 114.35 1h39 s TYR 31 Ca 0.00 -0.52 0.07 0.00 -0.52 0.00 0.00 57.07 56.10 1h39 s TYR 31 Cb 0.00 -1.76 -0.04 0.00 0.38 0.00 0.00 41.96 40.54 1h39 s TYR 31 CO 0.00 0.31 -0.13 -1.58 -1.52 0.00 0.00 175.55 172.64 1h39 s TRP 32 N -2.56 2.69 -0.33 -3.49 0.51 -1.26 -0.80 118.94 113.69 1h39 s TRP 32 Ca 0.38 -0.18 0.05 0.00 -2.12 0.00 0.00 56.10 54.24 1h39 s TRP 32 Cb 0.02 -1.44 0.19 0.00 -0.81 0.00 0.00 33.47 31.44 1h39 s TRP 32 CO 0.21 0.39 0.63 -0.46 -0.51 0.00 0.00 176.95 177.21 1h39 s TRP 33 N -1.14 -1.73 0.13 -1.98 -0.00 -1.26 -3.72 118.94 109.24 1h39 s TRP 33 Ca 0.19 0.79 -0.08 0.00 -0.00 0.00 0.00 56.10 57.00 1h39 s TRP 33 Cb -0.11 0.30 -0.06 0.00 -0.00 0.00 0.00 33.47 33.61 1h39 s TRP 33 CO 0.11 -1.06 0.41 0.20 -0.00 0.00 0.00 176.95 176.61 1h39 s GLY 34 N 2.53 2.29 0.76 5.86 0.00 -1.26 -5.00 107.32 112.50 1h39 s GLY 34 Ca 0.13 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.25 1h39 s GLY 34 CO -0.20 -0.30 1.23 -4.14 0.00 0.00 0.00 173.10 169.69 1h39 s PRO 35 N -2.36 1.92 -0.27 2.90 0.02 -1.26 -4.55 135.00 131.40 1h39 s PRO 35 Ca 0.38 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 63.19 1h39 s PRO 35 Cb -0.13 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.61 1h39 s PRO 35 CO 0.21 -2.02 -0.00 -1.17 -0.33 0.00 0.00 177.00 173.70 1h39 s LEU 36 N -5.32 3.48 0.11 -5.54 2.96 -1.26 -3.31 118.68 109.81 1h39 s LEU 36 Ca 0.75 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 1h39 s LEU 36 Cb -0.31 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.57 1h39 s LEU 36 CO 0.47 -0.16 0.46 -0.76 -1.32 0.00 0.00 176.35 175.05 1h39 s LEU 37 N 1.39 4.34 0.00 -0.68 2.01 -0.70 -4.40 118.68 120.64 1h39 s LEU 37 Ca 0.01 0.90 0.00 0.00 0.01 0.00 0.00 54.13 55.05 1h39 s LEU 37 Cb -0.17 -3.12 0.00 0.00 0.01 0.00 0.00 46.19 42.91 1h39 s LEU 37 CO -0.01 0.13 0.00 -1.54 1.01 0.00 0.00 176.35 175.94 1h39 n SER 38 N 0.81 0.00 -3.65 2.29 3.41 -1.26 0.32 113.62 115.54 1h39 n SER 38 Ca -0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.34 1h39 n SER 38 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1h39 n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h39 s ASN 39 N 1.00 1.76 0.00 4.04 2.20 -1.26 -4.79 114.94 117.89 1h39 s ASN 39 Ca 0.00 -1.69 0.20 0.00 -0.94 0.00 0.00 52.86 50.43 1h39 s ASN 39 Cb 0.00 0.52 1.19 0.00 -2.00 0.00 0.00 41.25 40.96 1h39 s ASN 39 CO 0.00 -1.00 1.70 1.33 -2.94 0.00 0.00 177.10 176.19 1h39 n VAL 40 N -0.65 0.00 0.21 3.54 0.24 -1.26 -3.49 118.33 116.92 1h39 n VAL 40 Ca 0.04 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.41 1h39 n VAL 40 Cb 0.63 -0.40 0.45 0.00 -1.47 0.00 0.00 33.84 33.05 1h39 n VAL 40 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1h39 h THR 41 N 0.00 0.78 0.90 3.34 1.35 -1.97 -1.22 112.91 116.09 1h39 h THR 41 Ca 0.00 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 1h39 h THR 41 Cb 0.00 1.74 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1h39 h THR 41 CO 0.00 0.28 -0.44 0.24 -0.25 0.00 0.00 175.52 175.35 1h39 h MET 42 N 0.00 -1.17 -0.38 4.72 2.86 -1.90 -0.01 114.93 119.06 1h39 h MET 42 Ca -0.00 0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1h39 h MET 42 Cb 0.71 0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1h39 h MET 42 CO 0.04 -0.78 0.11 0.93 1.06 0.00 0.00 176.91 178.26 1h39 h GLU 43 N -1.22 0.54 -0.14 1.72 3.07 -1.78 -1.70 114.58 115.07 1h39 h GLU 43 Ca -0.12 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 1h39 h GLU 43 Cb 0.93 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1h39 h GLU 43 CO 0.20 0.49 -0.05 0.00 -1.40 0.00 0.00 179.01 178.26 1h39 h ALA 44 N 1.59 0.19 -0.02 3.43 0.00 -1.10 -2.32 119.26 121.03 1h39 h ALA 44 Ca 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1h39 h ALA 44 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h39 h ALA 44 CO -0.01 -0.04 -0.26 0.93 0.00 0.00 0.00 179.25 179.87 1h39 h GLU 45 N -0.04 0.03 -0.03 0.00 5.08 -0.84 -2.44 114.58 116.34 1h39 h GLU 45 Ca 0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1h39 h GLU 45 Cb 0.48 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1h39 h GLU 45 CO 0.02 0.29 0.01 -0.92 -1.00 0.00 0.00 179.01 177.41 1h39 h TYR 46 N 0.03 0.04 -0.79 4.33 5.03 -1.15 0.25 116.97 124.71 1h39 h TYR 46 Ca 0.00 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.44 1h39 h TYR 46 Cb 0.48 -0.01 -0.09 0.00 1.55 0.00 0.00 36.73 38.66 1h39 h TYR 46 CO 0.00 0.13 0.39 0.28 -1.32 0.00 0.00 178.16 177.64 1h39 h VAL 47 N -0.06 0.77 -0.40 1.81 2.07 -0.96 0.16 116.25 119.64 1h39 h VAL 47 Ca 0.01 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1h39 h VAL 47 Cb 0.11 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1h39 h VAL 47 CO -0.00 0.11 -0.22 -0.07 0.02 0.00 0.00 177.57 177.41 1h39 h LEU 48 N 0.60 0.88 -0.51 2.57 3.38 -1.10 -1.88 115.31 119.25 1h39 h LEU 48 Ca 0.41 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1h39 h LEU 48 Cb 0.53 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1h39 h LEU 48 CO -0.33 1.10 0.19 0.25 0.09 0.00 0.00 178.44 179.74 1h39 h LEU 49 N 0.66 0.20 -0.06 1.67 5.85 0.12 0.19 115.31 123.94 1h39 h LEU 49 Ca 0.09 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1h39 h LEU 49 Cb 0.79 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1h39 h LEU 49 CO 0.06 0.14 -0.04 0.00 -0.34 0.00 0.00 178.44 178.26 1h39 h HIS 51 N -0.05 0.52 0.83 0.00 -0.00 -0.49 0.28 115.15 116.24 1h39 h HIS 51 Ca 0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1h39 h HIS 51 Cb 0.11 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1h39 h HIS 51 CO -0.15 0.20 -0.45 0.82 -0.00 0.00 0.00 177.93 178.35 1h39 h ILE 52 N 0.52 0.08 0.00 6.26 1.08 -0.04 -2.18 117.51 123.24 1h39 h ILE 52 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.77 1h39 h ILE 52 Cb 0.30 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 1h39 h ILE 52 CO -0.25 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.39 1h39 n LEU 53 N -5.61 0.00 -3.68 1.44 4.77 0.26 -4.85 117.00 109.33 1h39 n LEU 53 Ca -0.15 0.11 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 1h39 n LEU 53 Cb 0.48 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1h39 n LEU 53 CO 0.37 -0.06 0.12 -0.67 -1.33 0.00 0.00 177.39 175.82 1h39 n ASP 54 N -1.11 -4.06 -3.49 -1.43 2.03 0.82 -4.95 116.55 104.36 1h39 n ASP 54 Ca 0.08 -0.68 -0.27 0.00 0.52 0.00 0.00 54.79 54.45 1h39 n ASP 54 Cb 0.07 -4.53 -0.10 0.00 -0.72 0.00 0.00 41.12 35.84 1h39 n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1h39 n ARG 55 N -4.61 1.01 -3.80 -0.67 1.74 -0.31 -5.02 116.66 105.00 1h39 n ARG 55 Ca -0.10 -3.71 -0.36 0.00 -0.77 0.00 0.00 57.85 52.91 1h39 n ARG 55 Cb 0.60 -1.81 -0.11 0.00 -1.02 0.00 0.00 32.46 30.11 1h39 n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h39 s VAL 56 N -0.90 4.73 -0.40 1.55 1.01 -1.26 -4.74 120.40 120.39 1h39 s VAL 56 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1h39 s VAL 56 Cb 0.06 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.31 1h39 s VAL 56 CO -0.15 0.36 0.24 -0.62 0.00 0.00 0.00 175.10 174.92 1h39 s ASP 57 N 1.21 5.64 0.36 3.32 2.15 -1.26 -4.98 116.67 123.11 1h39 s ASP 57 Ca 0.05 -1.35 0.13 0.00 0.43 0.00 0.00 52.55 51.81 1h39 s ASP 57 Cb -0.14 -1.99 0.94 0.00 -0.30 0.00 0.00 42.92 41.43 1h39 s ASP 57 CO 0.04 -0.49 1.78 0.03 -0.17 0.00 0.00 175.17 176.37 1h39 h ARG 58 N 8.40 0.54 -0.26 4.34 2.47 -1.99 -0.29 114.38 127.60 1h39 h ARG 58 Ca -0.24 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1h39 h ARG 58 Cb 1.09 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 1h39 h ARG 58 CO 0.73 0.36 0.12 0.22 0.56 0.00 0.00 179.97 181.96 1h39 h ASP 59 N 0.56 0.34 -0.49 7.04 1.82 -2.00 -2.12 116.42 121.56 1h39 h ASP 59 Ca 0.57 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 57.07 1h39 h ASP 59 Cb 1.19 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 1h39 h ASP 59 CO -0.33 0.37 0.25 -0.09 -1.61 0.00 0.00 179.24 177.83 1h39 h ARG 60 N 0.28 0.70 -0.91 0.28 9.65 -1.54 -1.84 114.38 120.99 1h39 h ARG 60 Ca 0.09 -0.09 0.20 0.00 -1.10 0.00 0.00 59.98 59.07 1h39 h ARG 60 Cb 0.12 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.50 1h39 h ARG 60 CO -0.01 0.57 0.60 0.52 2.80 0.00 0.00 179.97 184.44 1h39 h MET 61 N 0.65 0.46 0.56 0.20 2.86 -0.88 0.15 114.93 118.93 1h39 h MET 61 Ca 0.17 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1h39 h MET 61 Cb 0.09 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.65 1h39 h MET 61 CO -0.02 0.30 -0.27 0.93 1.06 0.00 0.00 176.91 178.91 1h39 h GLU 62 N 0.47 -0.73 -0.62 1.72 4.39 -0.67 -0.19 114.58 118.96 1h39 h GLU 62 Ca 0.48 0.05 0.14 0.00 0.34 0.00 0.00 59.36 60.37 1h39 h GLU 62 Cb 1.10 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1h39 h GLU 62 CO -0.20 -0.42 0.43 0.87 -1.16 0.00 0.00 179.01 178.53 1h39 h LYS 63 N -1.00 0.21 -0.07 2.33 1.57 -0.92 0.73 116.57 119.43 1h39 h LYS 63 Ca -0.08 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 1h39 h LYS 63 Cb 0.64 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1h39 h LYS 63 CO 0.13 0.14 -0.77 0.82 -0.57 0.00 0.00 179.45 179.19 1h39 h ILE 64 N 0.21 1.38 -0.31 1.86 2.04 -0.50 -1.09 117.51 121.10 1h39 h ILE 64 Ca 0.30 -2.20 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 1h39 h ILE 64 Cb 0.88 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1h39 h ILE 64 CO -0.06 0.66 0.04 -0.09 0.00 0.00 0.00 178.15 178.70 1h39 h ARG 65 N 0.27 0.52 -0.13 2.37 2.43 0.10 -2.07 114.38 117.88 1h39 h ARG 65 Ca -0.04 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1h39 h ARG 65 Cb 1.36 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 1h39 h ARG 65 CO 0.13 0.63 -0.24 0.00 -1.51 0.00 0.00 179.97 178.99 1h39 h ARG 66 N 0.34 -0.29 -0.14 0.20 3.08 -1.37 -1.48 114.38 114.71 1h39 h ARG 66 Ca 0.09 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.20 1h39 h ARG 66 Cb 0.37 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1h39 h ARG 66 CO 0.01 -0.19 -0.45 -0.92 -1.07 0.00 0.00 179.97 177.35 1h39 h TYR 67 N -0.30 -1.30 -0.22 3.04 3.20 -1.38 0.38 116.97 120.39 1h39 h TYR 67 Ca 0.10 0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1h39 h TYR 67 Cb 0.45 0.59 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 1h39 h TYR 67 CO -0.34 -0.49 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.37 1h39 h LEU 68 N -0.51 -0.80 -0.76 2.82 3.38 -1.03 0.48 115.31 118.90 1h39 h LEU 68 Ca 0.07 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1h39 h LEU 68 Cb 0.64 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1h39 h LEU 68 CO -0.42 -0.29 0.49 -0.07 0.09 0.00 0.00 178.44 178.24 1h39 h LEU 69 N -0.27 0.83 -1.69 1.67 -0.00 -0.85 -1.88 115.31 113.12 1h39 h LEU 69 Ca 0.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1h39 h LEU 69 Cb 0.47 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1h39 h LEU 69 CO -0.37 0.59 0.08 -0.74 -0.00 0.00 0.00 178.44 177.99 1h39 h HIS 70 N 0.98 0.27 -0.01 1.13 2.76 0.72 -2.22 115.15 118.78 1h39 h HIS 70 Ca 0.29 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1h39 h HIS 70 Cb -0.05 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1h39 h HIS 70 CO -0.03 0.22 -0.18 0.39 -1.30 0.00 0.00 177.93 177.03 1h39 n GLU 71 N -4.45 1.10 -2.89 5.26 -0.58 0.07 -4.88 120.64 114.27 1h39 n GLU 71 Ca 0.00 -0.66 -0.40 0.00 -0.42 0.00 0.00 57.16 55.68 1h39 n GLU 71 Cb 0.12 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.45 1h39 n GLU 71 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1h39 s GLN 72 N -2.35 4.61 0.62 3.49 0.74 -0.84 -4.77 119.66 121.16 1h39 s GLN 72 Ca 0.28 1.24 -0.04 0.00 0.05 0.00 0.00 55.36 56.90 1h39 s GLN 72 Cb 0.20 -3.33 0.04 0.00 1.10 0.00 0.00 33.01 31.02 1h39 s GLN 72 CO 0.46 0.38 0.90 1.03 -0.55 0.00 0.00 175.29 177.51 1h39 s ARG 73 N -0.49 2.51 0.19 1.67 3.00 -0.36 -4.93 118.95 120.54 1h39 s ARG 73 Ca 0.40 -0.37 -0.19 0.00 0.00 0.00 0.00 55.73 55.57 1h39 s ARG 73 Cb -0.23 -2.31 0.14 0.00 0.00 0.00 0.00 34.95 32.55 1h39 s ARG 73 CO 0.27 -0.90 1.60 0.93 0.00 0.00 0.00 175.30 177.20 1h39 h GLU 74 N -0.24 -0.14 0.00 3.54 5.08 -1.97 0.20 114.58 121.05 1h39 h GLU 74 Ca -0.44 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1h39 h GLU 74 Cb 1.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1h39 h GLU 74 CO 0.58 -0.09 0.22 -0.40 -1.00 0.00 0.00 179.01 178.31 1h39 n ASP 75 N -5.43 0.26 -0.00 1.42 5.68 -1.26 -4.77 116.55 112.45 1h39 n ASP 75 Ca 0.04 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.85 1h39 n ASP 75 Cb 0.34 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1h39 n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h39 n GLY 76 N -1.30 1.05 2.94 6.12 0.00 0.72 -4.55 105.19 110.17 1h39 n GLY 76 Ca -0.01 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1h39 n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h39 n THR 77 N -2.75 0.00 -4.04 2.61 -2.24 -1.24 -3.21 114.28 103.41 1h39 n THR 77 Ca 0.00 -2.05 -0.14 0.00 -2.27 0.00 0.00 64.05 59.59 1h39 n THR 77 Cb 0.29 0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 1h39 n THR 77 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1h39 s TRP 78 N -2.80 0.32 0.38 4.78 0.51 -1.26 -1.23 118.94 119.65 1h39 s TRP 78 Ca 0.14 -0.13 0.02 0.00 -2.12 0.00 0.00 56.10 54.00 1h39 s TRP 78 Cb 0.01 -0.21 0.02 0.00 -0.81 0.00 0.00 33.47 32.48 1h39 s TRP 78 CO 0.10 -0.03 0.13 0.00 -0.51 0.00 0.00 176.95 176.64 1h39 n ALA 79 N 2.74 0.44 0.11 0.98 0.00 -1.26 -0.78 120.51 122.75 1h39 n ALA 79 Ca -0.14 -1.63 0.10 0.00 0.00 0.00 0.00 53.44 51.77 1h39 n ALA 79 Cb 0.58 0.80 0.02 0.00 0.00 0.00 0.00 19.45 20.85 1h39 n ALA 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h39 h LEU 80 N 0.00 0.00 -7.64 0.00 3.38 -1.89 -3.45 115.31 105.71 1h39 h LEU 80 Ca -0.28 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1h39 h LEU 80 Cb 0.92 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 1h39 h LEU 80 CO 0.46 0.08 -0.34 -0.72 0.09 0.00 0.00 178.44 178.01 1h39 s TYR 81 N -3.28 -0.04 -0.04 1.13 1.13 -1.26 -4.49 117.35 110.50 1h39 s TYR 81 Ca 0.00 -0.07 -0.35 0.00 -1.41 0.00 0.00 57.07 55.24 1h39 s TYR 81 Cb 0.09 0.03 -0.13 0.00 -1.10 0.00 0.00 41.96 40.85 1h39 s TYR 81 CO 0.77 -0.42 1.78 -0.35 -2.51 0.00 0.00 175.55 174.82 1h39 n PRO 82 N 0.89 2.02 -2.53 -3.49 -0.04 -1.26 -1.32 135.00 129.28 1h39 n PRO 82 Ca -0.20 0.74 -0.06 0.00 -0.04 0.00 0.00 63.50 63.94 1h39 n PRO 82 Cb 0.58 -2.54 0.01 0.00 -0.04 0.00 0.00 33.50 31.51 1h39 n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h39 n GLY 83 N 4.08 0.43 3.65 0.55 0.00 -1.26 -4.84 105.19 107.80 1h39 n GLY 83 Ca 0.22 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1h39 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h39 s GLY 84 N -2.97 2.02 0.49 -0.02 0.00 -0.43 -5.08 107.32 101.33 1h39 s GLY 84 Ca 0.09 -1.92 -0.24 0.00 0.00 0.00 0.00 44.72 42.65 1h39 s GLY 84 CO 0.11 -1.87 1.42 2.56 0.00 0.00 0.00 173.10 175.32 1h39 s PRO 85 N -3.73 3.47 0.23 2.90 0.04 -1.26 -4.73 135.00 131.93 1h39 s PRO 85 Ca 0.35 2.38 -0.32 0.00 0.04 0.00 0.00 61.00 63.46 1h39 s PRO 85 Cb -0.01 -2.51 -0.13 0.00 0.04 0.00 0.00 34.50 31.89 1h39 s PRO 85 CO 0.20 -0.97 1.56 -0.35 0.04 0.00 0.00 177.00 177.47 1h39 n PRO 86 N -0.50 2.40 -3.71 0.56 -0.04 -1.26 -4.44 135.00 128.00 1h39 n PRO 86 Ca 0.07 0.86 -0.36 0.00 -0.04 0.00 0.00 63.50 64.02 1h39 n PRO 86 Cb 0.43 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.21 1h39 n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1h39 s ASP 87 N 0.64 6.40 -0.02 3.54 -1.08 0.04 -4.96 116.67 121.24 1h39 s ASP 87 Ca 0.70 0.47 -0.19 0.00 -0.52 0.00 0.00 52.55 53.01 1h39 s ASP 87 Cb -0.58 -2.12 -0.11 0.00 -1.46 0.00 0.00 42.92 38.65 1h39 s ASP 87 CO 0.44 0.26 0.81 0.25 0.52 0.00 0.00 175.17 177.45 1h39 h LEU 88 N 5.83 -0.59 -0.22 -1.34 5.85 -1.93 -2.64 115.31 120.27 1h39 h LEU 88 Ca -0.47 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1h39 h LEU 88 Cb 1.19 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1h39 h LEU 88 CO 0.68 -0.19 -0.54 0.44 -0.34 0.00 0.00 178.44 178.48 1h39 h ASP 89 N -1.15 -1.75 -0.29 1.25 3.32 -1.95 0.36 116.42 116.20 1h39 h ASP 89 Ca -0.07 0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.25 1h39 h ASP 89 Cb 0.53 0.69 -0.08 0.00 0.22 0.00 0.00 39.33 40.70 1h39 h ASP 89 CO 0.12 -0.46 -0.43 0.74 -1.72 0.00 0.00 179.24 177.49 1h39 h THR 90 N -0.52 0.13 -0.84 0.35 2.02 -1.90 -0.51 112.91 111.64 1h39 h THR 90 Ca 0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 1h39 h THR 90 Cb 0.65 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 1h39 h THR 90 CO -0.49 0.00 0.52 0.74 0.37 0.00 0.00 175.52 176.67 1h39 h THR 91 N -0.39 1.06 0.31 3.16 2.02 -1.02 0.33 112.91 118.37 1h39 h THR 91 Ca 0.11 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1h39 h THR 91 Cb 0.60 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1h39 h THR 91 CO -0.50 0.18 -0.21 0.40 0.37 0.00 0.00 175.52 175.76 1h39 h ILE 92 N 0.97 0.56 -0.39 3.11 2.04 0.69 0.18 117.51 124.67 1h39 h ILE 92 Ca 0.36 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.24 1h39 h ILE 92 Cb 0.13 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1h39 h ILE 92 CO -0.16 0.00 0.21 -0.33 0.00 0.00 0.00 178.15 177.87 1h39 h GLU 93 N -0.51 0.41 -0.97 2.37 5.08 -0.76 -0.86 114.58 119.34 1h39 h GLU 93 Ca -0.03 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1h39 h GLU 93 Cb 0.43 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1h39 h GLU 93 CO 0.02 0.27 0.64 0.00 -1.00 0.00 0.00 179.01 178.94 1h39 h ALA 94 N 1.19 1.32 0.44 3.43 0.00 -0.76 -0.65 119.26 124.23 1h39 h ALA 94 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1h39 h ALA 94 Cb 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1h39 h ALA 94 CO -0.10 0.62 -0.27 -0.92 0.00 0.00 0.00 179.25 178.58 1h39 h TYR 95 N 1.29 -0.72 -0.59 0.00 3.20 0.42 -1.37 116.97 119.21 1h39 h TYR 95 Ca 0.36 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.27 1h39 h TYR 95 Cb -0.12 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 1h39 h TYR 95 CO -0.00 -0.42 0.32 0.28 -1.64 0.00 0.00 178.16 176.70 1h39 h VAL 96 N -0.68 0.99 -0.03 1.81 2.07 -0.91 -1.84 116.25 117.65 1h39 h VAL 96 Ca -0.05 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.29 1h39 h VAL 96 Cb 0.56 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1h39 h VAL 96 CO 0.05 0.11 -0.35 0.00 0.02 0.00 0.00 177.57 177.41 1h39 h ALA 97 N 1.30 -0.50 -0.24 1.67 0.00 -0.87 -1.45 119.26 119.17 1h39 h ALA 97 Ca 0.25 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1h39 h ALA 97 Cb 0.13 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1h39 h ALA 97 CO -0.15 -0.86 -0.04 -0.07 0.00 0.00 0.00 179.25 178.13 1h39 h LEU 98 N -0.48 -0.18 -2.03 0.00 3.38 -0.95 -0.95 115.31 114.10 1h39 h LEU 98 Ca 0.07 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1h39 h LEU 98 Cb 0.58 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1h39 h LEU 98 CO -0.30 -0.06 0.25 0.50 0.09 0.00 0.00 178.44 178.92 1h39 h LYS 99 N 0.02 0.00 -0.00 1.13 3.64 -0.90 -1.13 116.57 119.33 1h39 h LYS 99 Ca 0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1h39 h LYS 99 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1h39 h LYS 99 CO -0.23 0.00 -0.14 -0.92 -2.27 0.00 0.00 179.45 175.89 1h39 h TYR 100 N 0.00 0.14 -0.74 1.91 3.20 -0.20 -3.24 116.97 118.04 1h39 h TYR 100 Ca 0.16 -0.07 0.16 0.00 3.14 0.00 0.00 58.73 62.11 1h39 h TYR 100 Cb 0.65 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 1h39 h TYR 100 CO 0.00 0.86 0.50 0.82 -1.64 0.00 0.00 178.16 178.71 1h39 h ILE 101 N -0.62 0.77 0.00 1.81 2.04 -0.10 -3.45 117.51 117.95 1h39 h ILE 101 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1h39 h ILE 101 Cb 0.90 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1h39 h ILE 101 CO 0.03 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.85 1h39 n GLY 102 N -1.54 1.08 1.44 5.37 0.00 -0.54 -5.05 105.19 105.95 1h39 n GLY 102 Ca 0.14 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1h39 n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h39 n MET 103 N 0.00 0.00 -3.94 1.61 2.81 -1.05 -4.88 117.12 111.66 1h39 n MET 103 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 1h39 n MET 103 Cb 0.00 -0.44 -0.05 0.00 -0.71 0.00 0.00 33.22 32.02 1h39 n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1h39 s SER 104 N -0.39 6.22 0.00 7.83 1.04 -1.26 -4.35 113.70 122.79 1h39 s SER 104 Ca 0.28 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1h39 s SER 104 Cb -0.40 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1h39 s SER 104 CO 0.24 0.25 0.75 -2.11 0.98 0.00 0.00 173.24 173.34 1h39 n ARG 105 N 0.87 0.00 -0.04 4.02 1.85 -1.26 -2.59 116.66 119.52 1h39 n ARG 105 Ca -0.10 0.27 -0.01 0.00 -1.00 0.00 0.00 57.85 57.01 1h39 n ARG 105 Cb 0.52 -1.53 -0.00 0.00 -1.05 0.00 0.00 32.46 30.40 1h39 n ARG 105 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1h39 h ASP 106 N 0.00 0.00 -0.15 2.89 3.32 -1.95 -3.35 116.42 117.18 1h39 h ASP 106 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1h39 h ASP 106 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1h39 h ASP 106 CO 0.00 0.37 0.09 -0.62 -1.72 0.00 0.00 179.24 177.36 1h39 n GLU 107 N -3.87 0.00 -0.29 3.56 1.02 -1.07 -3.96 120.64 116.04 1h39 n GLU 107 Ca -0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.25 1h39 n GLU 107 Cb 0.03 -0.22 0.24 0.00 -0.02 0.00 0.00 31.44 31.47 1h39 n GLU 107 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h39 n GLU 108 N 0.56 -0.07 -0.35 3.49 2.13 -1.26 0.10 120.64 125.24 1h39 n GLU 108 Ca 0.04 1.25 0.07 0.00 0.66 0.00 0.00 57.16 59.18 1h39 n GLU 108 Cb -0.01 -1.98 0.24 0.00 0.27 0.00 0.00 31.44 29.96 1h39 n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1h39 h PRO 109 N 0.00 0.91 -0.18 5.31 0.11 -1.96 -1.61 132.00 134.58 1h39 h PRO 109 Ca 0.50 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.45 1h39 h PRO 109 Cb 1.03 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1h39 h PRO 109 CO -0.78 0.60 -0.32 0.52 -0.21 0.00 0.00 178.00 177.81 1h39 h MET 110 N 0.94 0.54 0.16 1.05 2.86 0.41 -3.11 114.93 117.78 1h39 h MET 110 Ca 0.49 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1h39 h MET 110 Cb 0.52 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1h39 h MET 110 CO -0.28 0.94 -0.43 1.96 1.06 0.00 0.00 176.91 180.16 1h39 h GLN 111 N 0.19 -0.67 -0.79 1.72 1.08 -0.48 0.19 115.11 116.35 1h39 h GLN 111 Ca 0.01 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.38 1h39 h GLN 111 Cb 0.91 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.41 1h39 h GLN 111 CO 0.07 -0.45 0.40 0.87 -0.95 0.00 0.00 178.83 178.78 1h39 h LYS 112 N -0.69 0.62 -0.09 1.46 1.57 -1.42 -1.17 116.57 116.84 1h39 h LYS 112 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1h39 h LYS 112 Cb 0.70 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1h39 h LYS 112 CO -0.23 0.41 -0.02 0.00 -0.57 0.00 0.00 179.45 179.05 1h39 h ALA 113 N 1.49 0.12 -0.86 3.86 0.00 -1.39 -2.24 119.26 120.24 1h39 h ALA 113 Ca 0.41 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1h39 h ALA 113 Cb 0.50 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1h39 h ALA 113 CO -0.31 -0.16 0.49 1.25 0.00 0.00 0.00 179.25 180.51 1h39 h LEU 114 N -0.15 0.66 -0.53 0.00 6.46 -0.04 -0.19 115.31 121.52 1h39 h LEU 114 Ca 0.02 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1h39 h LEU 114 Cb 0.41 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1h39 h LEU 114 CO 0.01 0.34 -0.11 0.03 -0.62 0.00 0.00 178.44 178.09 1h39 h ARG 115 N 0.76 1.01 -0.18 1.25 3.08 -1.15 -1.53 114.38 117.62 1h39 h ARG 115 Ca 0.44 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1h39 h ARG 115 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1h39 h ARG 115 CO -0.29 1.06 0.11 0.35 -1.07 0.00 0.00 179.97 180.13 1h39 h PHE 116 N 0.89 0.24 -0.85 3.04 3.57 -0.64 -0.27 116.94 122.92 1h39 h PHE 116 Ca 0.14 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1h39 h PHE 116 Cb 0.68 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1h39 h PHE 116 CO 0.05 0.18 0.52 0.82 -2.23 0.00 0.00 178.31 177.65 1h39 h ILE 117 N 0.23 1.02 -0.22 1.41 2.04 -0.94 -2.71 117.51 118.34 1h39 h ILE 117 Ca 0.07 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 1h39 h ILE 117 Cb 0.01 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1h39 h ILE 117 CO -0.01 0.17 -0.26 1.56 0.00 0.00 0.00 178.15 179.61 1h39 h GLN 118 N 0.94 0.57 0.00 2.37 4.20 -0.94 -0.93 115.11 121.32 1h39 h GLN 118 Ca 0.37 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1h39 h GLN 118 Cb 0.19 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1h39 h GLN 118 CO -0.18 0.91 0.01 -1.13 -0.67 0.00 0.00 178.83 177.76 1h39 n SER 119 N -4.36 0.00 -0.14 1.46 3.41 -0.14 -0.75 113.62 113.09 1h39 n SER 119 Ca -0.05 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.06 1h39 n SER 119 Cb 0.44 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 1h39 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h39 n GLN 120 N -1.43 1.95 0.00 4.33 1.13 -1.07 -4.97 117.38 117.34 1h39 n GLN 120 Ca 0.00 -0.32 0.00 0.00 -1.94 0.00 0.00 57.00 54.74 1h39 n GLN 120 Cb 0.01 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1h39 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h39 n GLY 121 N 1.26 1.17 7.00 1.08 0.00 0.07 -4.42 105.19 111.35 1h39 n GLY 121 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1h39 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h39 n GLY 122 N -0.88 -0.26 0.38 -0.02 0.00 -0.38 -3.77 105.19 100.25 1h39 n GLY 122 Ca 0.00 -1.00 0.21 0.00 0.00 0.00 0.00 46.02 45.22 1h39 n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h39 h ILE 123 N 0.00 0.52 0.00 -0.61 2.10 -1.50 -1.31 117.51 116.71 1h39 h ILE 123 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1h39 h ILE 123 Cb 0.00 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 1h39 h ILE 123 CO 0.00 0.09 0.02 -0.62 -1.08 0.00 0.00 178.15 176.56 1h39 n GLU 124 N -4.75 0.00 0.00 2.19 -0.58 -1.25 -1.18 120.64 115.06 1h39 n GLU 124 Ca 0.26 0.17 0.04 0.00 -0.42 0.00 0.00 57.16 57.22 1h39 n GLU 124 Cb 0.83 -1.52 0.03 0.00 -0.57 0.00 0.00 31.44 30.21 1h39 n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1h39 n SER 125 N -1.14 1.57 -4.84 1.62 7.64 -0.49 -4.50 113.62 113.47 1h39 n SER 125 Ca 0.00 -1.29 -0.32 0.00 1.01 0.00 0.00 58.87 58.28 1h39 n SER 125 Cb 0.02 0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1h39 n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h39 s SER 126 N -0.71 6.34 0.93 6.43 1.04 -0.33 -4.61 113.70 122.79 1h39 s SER 126 Ca 0.09 1.57 -0.10 0.00 0.48 0.00 0.00 55.95 57.98 1h39 s SER 126 Cb 0.06 -2.50 0.14 0.00 0.10 0.00 0.00 66.02 63.82 1h39 s SER 126 CO 0.11 -0.79 1.04 -2.11 0.98 0.00 0.00 173.24 172.47 1h39 n ARG 127 N -2.03 -0.50 -0.08 4.02 1.85 -1.26 -4.73 116.66 113.93 1h39 n ARG 127 Ca 0.07 -0.08 -0.10 0.00 -1.00 0.00 0.00 57.85 56.74 1h39 n ARG 127 Cb 0.54 -2.30 -0.04 0.00 -1.05 0.00 0.00 32.46 29.61 1h39 n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h39 h VAL 128 N -1.88 0.18 -0.58 8.89 2.07 -1.89 -2.61 116.25 120.43 1h39 h VAL 128 Ca -0.44 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1h39 h VAL 128 Cb 1.27 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 1h39 h VAL 128 CO 0.40 0.00 -0.55 -0.26 0.02 0.00 0.00 177.57 177.18 1h39 h PHE 129 N -0.34 -1.70 -0.59 1.57 0.04 -1.90 0.20 116.94 114.22 1h39 h PHE 129 Ca 0.13 0.09 0.12 0.00 2.80 0.00 0.00 57.97 61.12 1h39 h PHE 129 Cb 0.57 0.82 -0.11 0.00 2.20 0.00 0.00 35.95 39.43 1h39 h PHE 129 CO -0.53 -0.45 -0.10 1.15 -0.60 0.00 0.00 178.31 177.77 1h39 h THR 130 N -0.28 0.44 -0.59 -1.55 2.02 -1.83 0.19 112.91 111.31 1h39 h THR 130 Ca 0.11 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1h39 h THR 130 Cb 0.55 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1h39 h THR 130 CO -0.70 0.01 0.24 0.03 0.37 0.00 0.00 175.52 175.47 1h39 h ARG 131 N 0.03 0.86 -0.05 6.66 3.08 -0.86 -1.71 114.38 122.40 1h39 h ARG 131 Ca 0.29 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1h39 h ARG 131 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1h39 h ARG 131 CO -0.58 0.71 0.01 1.98 -1.07 0.00 0.00 179.97 181.03 1h39 h MET 132 N 0.85 0.07 -0.15 0.04 4.05 0.21 0.73 114.93 120.73 1h39 h MET 132 Ca 0.20 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 1h39 h MET 132 Cb 0.17 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 1h39 h MET 132 CO -0.02 0.26 -0.10 -1.49 0.23 0.00 0.00 176.91 175.79 1h39 h TRP 133 N -0.13 -0.25 -0.46 1.39 4.06 -0.59 0.15 115.95 120.12 1h39 h TRP 133 Ca 0.01 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.07 1h39 h TRP 133 Cb 0.22 0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 1h39 h TRP 133 CO -0.00 -0.16 0.31 -0.07 -3.56 0.00 0.00 178.44 174.96 1h39 h LEU 134 N -0.10 0.21 -0.45 -4.49 3.38 -1.17 0.37 115.31 113.06 1h39 h LEU 134 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1h39 h LEU 134 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1h39 h LEU 134 CO -0.22 0.13 -0.09 0.00 0.09 0.00 0.00 178.44 178.35 1h39 h ALA 135 N 1.77 0.62 -0.25 1.53 0.00 0.16 0.81 119.26 123.90 1h39 h ALA 135 Ca 0.21 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1h39 h ALA 135 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1h39 h ALA 135 CO -0.04 0.50 0.20 -0.07 0.00 0.00 0.00 179.25 179.83 1h39 h LEU 136 N 0.70 0.00 -2.41 0.00 3.38 0.13 -0.60 115.31 116.50 1h39 h LEU 136 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h39 h LEU 136 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1h39 h LEU 136 CO 0.04 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.90 1h39 n VAL 137 N -4.30 0.60 -1.64 1.22 0.24 -1.10 0.40 118.33 113.77 1h39 n VAL 137 Ca 0.03 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1h39 n VAL 137 Cb 0.35 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 1h39 n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h39 n GLY 138 N 1.46 0.39 0.79 7.63 0.00 -0.23 -3.30 105.19 111.93 1h39 n GLY 138 Ca 0.20 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.35 1h39 n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h39 n GLU 139 N -1.69 2.75 -3.64 1.61 -0.58 0.26 -4.97 120.64 114.38 1h39 n GLU 139 Ca 0.00 -2.78 -0.09 0.00 -0.42 0.00 0.00 57.16 53.86 1h39 n GLU 139 Cb 0.32 -1.79 -0.07 0.00 -0.57 0.00 0.00 31.44 29.34 1h39 n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1h39 s TYR 140 N -2.76 -0.50 0.12 -0.32 5.04 -1.21 -4.79 117.35 112.92 1h39 s TYR 140 Ca 0.40 1.21 -0.31 0.00 -2.44 0.00 0.00 57.07 55.93 1h39 s TYR 140 Cb 0.33 0.36 -0.08 0.00 0.35 0.00 0.00 41.96 42.91 1h39 s TYR 140 CO 0.08 -0.24 1.40 -1.25 -1.34 0.00 0.00 175.55 174.20 1h39 s PRO 141 N 0.30 4.31 0.42 4.97 0.04 -1.26 -4.33 135.00 139.46 1h39 s PRO 141 Ca 0.02 2.10 0.13 0.00 0.04 0.00 0.00 61.00 63.30 1h39 s PRO 141 Cb -0.05 -3.24 0.90 0.00 0.04 0.00 0.00 34.50 32.16 1h39 s PRO 141 CO -0.06 -0.44 1.94 -1.49 0.04 0.00 0.00 177.00 176.98 1h39 h TRP 142 N 6.71 0.02 -0.10 0.56 4.06 -1.96 -2.58 115.95 122.67 1h39 h TRP 142 Ca -0.42 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.55 1h39 h TRP 142 Cb 1.21 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1h39 h TRP 142 CO 0.66 0.25 0.07 0.93 -3.56 0.00 0.00 178.44 176.79 1h39 h GLU 143 N 0.02 0.03 -0.51 0.49 3.07 -1.99 -0.71 114.58 114.97 1h39 h GLU 143 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1h39 h GLU 143 Cb 0.42 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1h39 h GLU 143 CO 0.03 0.02 0.00 1.63 -1.40 0.00 0.00 179.01 179.29 1h39 n LYS 144 N -4.51 2.09 -4.00 2.33 5.02 -0.97 -4.81 118.16 113.31 1h39 n LYS 144 Ca -0.01 -1.21 -0.35 0.00 -2.02 0.00 0.00 58.31 54.72 1h39 n LYS 144 Cb 0.17 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.58 1h39 n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h39 s VAL 145 N -1.65 3.86 -0.13 -0.18 1.01 -0.28 -5.06 120.40 117.98 1h39 s VAL 145 Ca 0.22 -0.34 -0.40 0.00 0.00 0.00 0.00 61.98 61.46 1h39 s VAL 145 Cb 0.14 -2.76 -0.17 0.00 0.00 0.00 0.00 36.38 33.58 1h39 s VAL 145 CO 0.11 0.41 1.46 -2.65 0.00 0.00 0.00 175.10 174.44 1h39 n PRO 146 N 4.46 0.76 -2.94 2.72 -0.02 -1.26 -4.89 135.00 133.83 1h39 n PRO 146 Ca -0.17 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 1h39 n PRO 146 Cb 0.52 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 1h39 n PRO 146 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1h39 s MET 147 N 1.75 4.53 -0.27 -0.52 1.75 -1.26 -4.83 119.30 120.45 1h39 s MET 147 Ca 0.93 1.13 -0.01 0.00 -1.25 0.00 0.00 55.69 56.49 1h39 s MET 147 Cb -1.13 -3.37 0.08 0.00 2.84 0.00 0.00 34.83 33.25 1h39 s MET 147 CO 0.60 0.27 0.06 0.08 -0.65 0.00 0.00 175.02 175.37 1h39 s VAL 148 N -0.02 0.90 0.44 10.11 1.01 -1.26 -4.92 120.40 126.66 1h39 s VAL 148 Ca 0.40 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1h39 s VAL 148 Cb -0.21 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 1h39 s VAL 148 CO 0.24 -0.47 1.02 -2.16 0.00 0.00 0.00 175.10 173.72 1h39 s PRO 149 N 1.63 4.04 0.32 2.72 0.04 -1.26 -4.17 135.00 138.33 1h39 s PRO 149 Ca 0.05 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1h39 s PRO 149 Cb -0.17 -2.29 0.53 0.00 0.04 0.00 0.00 34.50 32.61 1h39 s PRO 149 CO -0.18 -0.22 1.96 -1.35 0.04 0.00 0.00 177.00 177.25 1h39 h PRO 150 N 2.01 0.91 0.00 0.56 0.11 -1.92 -2.27 132.00 131.40 1h39 h PRO 150 Ca -0.49 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1h39 h PRO 150 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1h39 h PRO 150 CO 0.61 0.65 0.39 0.93 -0.21 0.00 0.00 178.00 180.37 1h39 h GLU 151 N 0.92 0.00 -0.09 1.05 3.07 -1.90 -0.06 114.58 117.57 1h39 h GLU 151 Ca 0.24 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1h39 h GLU 151 Cb -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1h39 h GLU 151 CO -0.04 0.00 0.35 0.97 -1.40 0.00 0.00 179.01 178.89 1h39 h ILE 152 N 0.00 0.09 0.00 3.13 2.10 -1.79 0.19 117.51 121.23 1h39 h ILE 152 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1h39 h ILE 152 Cb 0.79 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1h39 h ILE 152 CO 0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1h39 n MET 153 N -3.09 0.02 0.00 2.19 2.81 -0.04 -2.53 117.12 116.48 1h39 n MET 153 Ca 0.00 0.35 0.12 0.00 -1.81 0.00 0.00 57.70 56.36 1h39 n MET 153 Cb 0.43 -1.54 0.26 0.00 -0.71 0.00 0.00 33.22 31.65 1h39 n MET 153 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1h39 n PHE 154 N -1.58 0.00 -2.29 2.03 3.72 0.66 -4.92 117.46 115.07 1h39 n PHE 154 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1h39 n PHE 154 Cb 0.12 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 1h39 n PHE 154 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1h39 s LEU 155 N -2.37 4.35 1.18 4.37 1.43 -1.05 -5.00 118.68 121.59 1h39 s LEU 155 Ca 0.25 2.13 -0.16 0.00 -1.03 0.00 0.00 54.13 55.33 1h39 s LEU 155 Cb 0.19 -3.58 0.28 0.00 0.03 0.00 0.00 46.19 43.11 1h39 s LEU 155 CO 0.48 -0.59 1.04 -0.83 0.23 0.00 0.00 176.35 176.69 1h39 s GLY 156 N 1.27 1.53 0.37 -3.19 0.00 -1.26 -4.74 107.32 101.29 1h39 s GLY 156 Ca 0.62 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.87 1h39 s GLY 156 CO 0.29 0.27 2.02 0.50 0.00 0.00 0.00 173.10 176.18 1h39 h LYS 157 N -2.57 0.75 -2.07 2.90 1.57 -1.99 -3.17 116.57 111.99 1h39 h LYS 157 Ca -0.54 -0.05 -0.64 0.00 -1.87 0.00 0.00 60.65 57.56 1h39 h LYS 157 Cb 1.33 -0.17 -0.38 0.00 0.08 0.00 0.00 32.23 33.09 1h39 h LYS 157 CO 0.46 0.50 -0.24 2.89 -0.57 0.00 0.00 179.45 182.49 1h39 n ARG 158 N -4.45 3.63 -4.37 3.15 0.00 -1.26 -4.93 116.66 108.42 1h39 n ARG 158 Ca 0.06 -4.63 -0.19 0.00 -0.00 0.00 0.00 57.85 53.09 1h39 n ARG 158 Cb 0.07 -2.28 -0.10 0.00 -0.00 0.00 0.00 32.46 30.14 1h39 n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1h39 s MET 159 N -3.69 1.45 -0.06 2.89 -1.94 -1.20 -5.11 119.30 111.65 1h39 s MET 159 Ca 0.47 -1.76 -0.30 0.00 -1.71 0.00 0.00 55.69 52.39 1h39 s MET 159 Cb 0.31 -0.71 -0.05 0.00 2.01 0.00 0.00 34.83 36.39 1h39 s MET 159 CO -0.17 -0.12 1.50 -1.25 -0.01 0.00 0.00 175.02 174.96 1h39 s PRO 160 N -3.87 4.22 -0.94 2.03 0.04 -1.26 -3.40 135.00 131.83 1h39 s PRO 160 Ca 0.32 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.37 1h39 s PRO 160 Cb 0.06 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1h39 s PRO 160 CO 0.11 -0.73 0.06 1.28 0.04 0.00 0.00 177.00 177.76 1h39 n LEU 161 N 6.44 -1.64 -4.81 -3.56 4.77 -1.26 -5.03 117.00 111.91 1h39 n LEU 161 Ca 0.15 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.77 1h39 n LEU 161 Cb 0.43 -1.82 -0.01 0.00 -2.33 0.00 0.00 43.42 39.70 1h39 n LEU 161 CO 0.60 -0.07 0.71 0.54 -1.33 0.00 0.00 177.39 177.84 1h39 s ASN 162 N -2.56 6.07 0.18 -1.43 2.20 -1.22 -4.88 114.94 113.31 1h39 s ASN 162 Ca 0.03 1.78 0.08 0.00 -0.94 0.00 0.00 52.86 53.81 1h39 s ASN 162 Cb -0.01 -2.53 0.44 0.00 -2.00 0.00 0.00 41.25 37.14 1h39 s ASN 162 CO 0.04 -0.97 1.12 2.30 -2.94 0.00 0.00 177.10 176.66 1h39 n ILE 163 N -1.75 0.96 -0.34 0.54 -5.35 -1.26 -0.97 119.36 111.18 1h39 n ILE 163 Ca 0.08 0.64 0.09 0.00 -0.27 0.00 0.00 62.75 63.29 1h39 n ILE 163 Cb 0.53 -1.64 0.32 0.00 -1.74 0.00 0.00 39.64 37.11 1h39 n ILE 163 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1h39 n TYR 164 N -1.75 1.29 0.92 4.28 4.01 -1.26 -3.47 117.16 121.18 1h39 n TYR 164 Ca -0.01 -0.52 0.09 0.00 -0.16 0.00 0.00 57.90 57.30 1h39 n TYR 164 Cb 0.23 -0.20 -0.08 0.00 -0.31 0.00 0.00 39.34 38.99 1h39 n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h39 n GLU 165 N 1.05 0.84 -3.66 -0.72 1.02 -0.15 -4.94 120.64 114.08 1h39 n GLU 165 Ca 0.23 -0.31 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 1h39 n GLU 165 Cb 0.78 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.76 1h39 n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1h39 s PHE 166 N -2.66 3.48 0.72 -0.32 0.40 -1.23 -4.57 117.98 113.81 1h39 s PHE 166 Ca 0.10 0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.63 1h39 s PHE 166 Cb 0.15 -1.84 0.03 0.00 0.51 0.00 0.00 43.02 41.87 1h39 s PHE 166 CO 0.71 0.34 1.12 0.20 0.70 0.00 0.00 175.22 178.28 1h39 s GLY 167 N -3.37 1.99 0.20 4.36 0.00 0.83 -4.69 107.32 106.64 1h39 s GLY 167 Ca 0.38 0.50 -0.14 0.00 0.00 0.00 0.00 44.72 45.47 1h39 s GLY 167 CO 0.30 0.87 1.65 1.48 0.00 0.00 0.00 173.10 177.39 1h39 h SER 168 N -0.53 -0.46 -0.24 1.64 4.64 -1.94 0.21 113.55 116.86 1h39 h SER 168 Ca -0.46 0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 1h39 h SER 168 Cb 1.25 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 1h39 h SER 168 CO 0.52 -0.17 0.10 4.11 -0.87 0.00 0.00 176.83 180.52 1h39 h TRP 169 N 0.02 0.42 0.21 4.77 0.09 -1.96 -2.89 115.95 116.61 1h39 h TRP 169 Ca 0.28 -0.01 -0.32 0.00 0.09 0.00 0.00 58.89 58.92 1h39 h TRP 169 Cb 0.43 -0.13 0.03 0.00 0.08 0.00 0.00 29.16 29.56 1h39 h TRP 169 CO -0.44 0.35 -1.43 0.00 0.09 0.00 0.00 178.44 177.01 1h39 h ALA 170 N 1.69 -0.05 -0.05 0.11 0.00 -1.67 -3.32 119.26 115.96 1h39 h ALA 170 Ca 0.11 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 54.13 1h39 h ALA 170 Cb 0.12 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1h39 h ALA 170 CO -0.01 0.81 -0.12 -0.09 0.00 0.00 0.00 179.25 179.84 1h39 h ARG 171 N 0.12 -0.12 -1.01 0.00 2.43 -0.77 -0.99 114.38 114.05 1h39 h ARG 171 Ca -0.23 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.11 1h39 h ARG 171 Cb 2.11 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 31.59 1h39 h ARG 171 CO 0.25 -0.08 0.62 0.00 -1.51 0.00 0.00 179.97 179.25 1h39 h ALA 172 N -1.13 1.61 -0.49 2.80 0.00 -1.74 -0.87 119.26 119.44 1h39 h ALA 172 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1h39 h ALA 172 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1h39 h ALA 172 CO -0.11 0.07 0.24 1.15 0.00 0.00 0.00 179.25 180.60 1h39 h THR 173 N 0.86 0.94 0.00 0.00 2.02 -1.54 -0.72 112.91 114.47 1h39 h THR 173 Ca 0.55 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.57 1h39 h THR 173 Cb 0.73 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1h39 h THR 173 CO -0.33 0.08 -0.00 0.58 0.37 0.00 0.00 175.52 176.22 1h39 h VAL 174 N 0.46 1.17 -0.56 3.16 2.07 0.15 -1.26 116.25 121.43 1h39 h VAL 174 Ca 0.22 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.31 1h39 h VAL 174 Cb 0.14 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1h39 h VAL 174 CO -0.16 0.13 0.21 0.58 0.02 0.00 0.00 177.57 178.35 1h39 h VAL 175 N -0.22 0.81 0.29 2.57 2.07 -1.01 0.75 116.25 121.51 1h39 h VAL 175 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1h39 h VAL 175 Cb 0.22 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1h39 h VAL 175 CO 0.00 0.07 -0.14 0.00 0.02 0.00 0.00 177.57 177.52 1h39 h ALA 176 N 1.37 -0.39 -0.65 1.67 0.00 -1.06 -3.21 119.26 117.00 1h39 h ALA 176 Ca 0.28 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1h39 h ALA 176 Cb 0.31 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1h39 h ALA 176 CO -0.27 -0.68 0.37 -0.07 0.00 0.00 0.00 179.25 178.61 1h39 h LEU 177 N -0.47 0.58 -0.80 0.00 3.38 -0.70 -2.75 115.31 114.54 1h39 h LEU 177 Ca -0.04 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.13 1h39 h LEU 177 Cb 0.36 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.86 1h39 h LEU 177 CO 0.07 0.39 -0.06 0.77 0.09 0.00 0.00 178.44 179.70 1h39 h SER 178 N 0.71 -0.49 -0.94 -0.43 4.64 -0.86 0.96 113.55 117.14 1h39 h SER 178 Ca 0.28 0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.84 1h39 h SER 178 Cb 0.12 0.41 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 1h39 h SER 178 CO -0.15 -0.23 0.62 0.40 -0.87 0.00 0.00 176.83 176.60 1h39 h ILE 179 N 0.06 1.20 0.20 0.95 2.04 -1.57 0.12 117.51 120.51 1h39 h ILE 179 Ca 0.43 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1h39 h ILE 179 Cb 0.75 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1h39 h ILE 179 CO -0.75 0.23 -0.10 0.58 0.00 0.00 0.00 178.15 178.11 1h39 h VAL 180 N 1.23 0.85 0.00 1.67 2.07 0.65 -3.03 116.25 119.69 1h39 h VAL 180 Ca 0.36 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1h39 h VAL 180 Cb -0.07 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1h39 h VAL 180 CO -0.10 0.18 0.00 0.24 0.02 0.00 0.00 177.57 177.91 1h39 h MET 181 N -0.77 0.00 -0.33 1.57 2.86 0.43 0.37 114.93 119.06 1h39 h MET 181 Ca -0.03 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 1h39 h MET 181 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1h39 h MET 181 CO 0.05 0.00 -0.37 1.03 1.06 0.00 0.00 176.91 178.67 1h39 h SER 182 N 0.00 0.83 0.20 1.22 0.87 -0.65 -3.23 113.55 112.79 1h39 h SER 182 Ca 0.00 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 1h39 h SER 182 Cb 0.19 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1h39 h SER 182 CO 0.00 1.11 -1.85 0.54 -0.53 0.00 0.00 176.83 176.10 1h39 n ARG 183 N -4.05 0.65 -3.85 2.24 5.12 -0.39 -5.01 116.66 111.36 1h39 n ARG 183 Ca -0.02 -0.11 -0.34 0.00 -1.93 0.00 0.00 57.85 55.46 1h39 n ARG 183 Cb 0.52 -1.58 0.02 0.00 -1.16 0.00 0.00 32.46 30.26 1h39 n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1h39 n GLN 184 N -2.41 -0.91 -2.10 5.56 6.02 0.12 -4.92 117.38 118.74 1h39 n GLN 184 Ca -0.07 0.45 -0.32 0.00 -0.01 0.00 0.00 57.00 57.06 1h39 n GLN 184 Cb 0.64 -2.92 -0.01 0.00 1.02 0.00 0.00 30.24 28.97 1h39 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h39 s PRO 185 N -6.09 3.68 -0.05 -1.09 0.04 -1.26 -5.08 135.00 125.14 1h39 s PRO 185 Ca 0.30 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.26 1h39 s PRO 185 Cb -0.15 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1h39 s PRO 185 CO 0.91 -0.50 -0.06 0.08 0.04 0.00 0.00 177.00 177.48 1h39 s VAL 186 N -2.84 0.65 -0.59 -0.36 1.01 -1.26 -4.56 120.40 112.45 1h39 s VAL 186 Ca 0.58 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1h39 s VAL 186 Cb -0.11 -0.66 0.15 0.00 0.00 0.00 0.00 36.38 35.75 1h39 s VAL 186 CO 0.42 0.26 0.35 -0.36 0.00 0.00 0.00 175.10 175.77 1h39 s PHE 187 N 0.95 3.32 0.12 5.22 0.08 0.16 -4.96 117.98 122.87 1h39 s PHE 187 Ca -0.10 -3.15 -0.34 0.00 0.12 0.00 0.00 56.93 53.46 1h39 s PHE 187 Cb -0.14 -2.86 -0.18 0.00 -0.57 0.00 0.00 43.02 39.26 1h39 s PHE 187 CO 0.00 -0.71 0.89 -2.30 -0.10 0.00 0.00 175.22 173.00 1h39 n PRO 188 N 2.89 0.30 -3.56 0.24 -0.02 -1.25 -4.27 135.00 129.33 1h39 n PRO 188 Ca 0.09 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.35 1h39 n PRO 188 Cb 0.34 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 1h39 n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h39 s LEU 189 N 1.26 4.25 0.52 2.45 1.43 -1.21 -5.03 118.68 122.35 1h39 s LEU 189 Ca 0.76 0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 54.40 1h39 s LEU 189 Cb -1.04 -3.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 1h39 s LEU 189 CO 0.56 0.04 1.28 -2.16 0.23 0.00 0.00 176.35 176.29 1h39 s PRO 190 N -2.53 3.34 0.30 1.29 0.04 -1.26 -4.80 135.00 131.38 1h39 s PRO 190 Ca 0.41 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.54 1h39 s PRO 190 Cb -0.12 -2.29 0.76 0.00 0.04 0.00 0.00 34.50 32.89 1h39 s PRO 190 CO 0.22 -0.97 1.63 0.93 0.04 0.00 0.00 177.00 178.85 1h39 h GLU 191 N 1.63 0.15 -1.51 4.56 3.07 -1.98 0.93 114.58 121.43 1h39 h GLU 191 Ca -0.50 -0.01 0.44 0.00 -0.50 0.00 0.00 59.36 58.78 1h39 h GLU 191 Cb 1.28 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.10 1h39 h GLU 191 CO 0.58 0.10 1.13 -0.09 -1.40 0.00 0.00 179.01 179.34 1h39 h ARG 192 N 0.16 0.00 -0.10 2.33 2.43 -1.98 -0.49 114.38 116.72 1h39 h ARG 192 Ca 0.58 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1h39 h ARG 192 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1h39 h ARG 192 CO -0.71 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 177.75 1h39 n ALA 193 N -2.78 2.26 -1.68 2.80 0.00 0.31 -4.98 120.51 116.44 1h39 n ALA 193 Ca 0.33 -0.85 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 1h39 n ALA 193 Cb 1.60 -0.21 -0.00 0.00 0.00 0.00 0.00 19.45 20.85 1h39 n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h39 n ARG 194 N 0.14 1.93 -2.94 0.00 5.12 -0.19 -4.81 116.66 115.89 1h39 n ARG 194 Ca 0.05 0.68 -0.26 0.00 -1.93 0.00 0.00 57.85 56.38 1h39 n ARG 194 Cb 0.26 -2.27 -0.04 0.00 -1.16 0.00 0.00 32.46 29.25 1h39 n ARG 194 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1h39 n VAL 195 N 0.09 2.78 0.25 1.55 0.24 -1.26 -4.84 118.33 117.14 1h39 n VAL 195 Ca 0.06 -5.47 0.10 0.00 -2.04 0.00 0.00 64.34 56.99 1h39 n VAL 195 Cb 0.37 -1.29 0.67 0.00 -1.47 0.00 0.00 33.84 32.12 1h39 n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1h39 h PRO 196 N 2.97 0.00 0.00 7.34 0.13 -1.96 -2.35 132.00 138.13 1h39 h PRO 196 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1h39 h PRO 196 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1h39 h PRO 196 CO 0.79 0.12 0.08 -0.85 -0.23 0.00 0.00 178.00 177.92 1h39 n GLU 197 N -3.96 0.05 0.00 0.86 0.00 -1.26 -0.07 120.64 116.26 1h39 n GLU 197 Ca -0.02 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.77 1h39 n GLU 197 Cb 0.21 -1.75 0.59 0.00 0.00 0.00 0.00 31.44 30.49 1h39 n GLU 197 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1h39 n LEU 198 N -1.75 0.00 -0.10 -1.84 4.77 -0.88 -3.07 117.00 114.12 1h39 n LEU 198 Ca -0.01 0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 56.20 1h39 n LEU 198 Cb 0.10 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 40.66 1h39 n LEU 198 CO 0.04 -0.05 -1.24 -1.22 -1.33 0.00 0.00 177.39 173.58 1h39 n TYR 199 N -1.40 0.22 -1.46 -1.77 4.01 0.90 -1.33 117.16 116.32 1h39 n TYR 199 Ca 0.09 0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.74 1h39 n TYR 199 Cb 0.26 -1.03 -0.11 0.00 -0.31 0.00 0.00 39.34 38.14 1h39 n TYR 199 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h39 n GLU 200 N -3.27 0.22 -3.60 -0.72 1.02 -1.18 -4.80 120.64 108.32 1h39 n GLU 200 Ca -0.43 -0.69 -0.16 0.00 -0.02 0.00 0.00 57.16 55.86 1h39 n GLU 200 Cb 1.01 -2.63 -0.07 0.00 -0.02 0.00 0.00 31.44 29.73 1h39 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1h39 s THR 201 N 9.29 0.01 -0.15 2.62 2.01 -1.26 -4.87 115.64 123.28 1h39 s THR 201 Ca 0.86 -0.11 0.15 0.00 0.31 0.00 0.00 61.69 62.90 1h39 s THR 201 Cb -0.28 -0.88 -0.21 0.00 0.01 0.00 0.00 72.50 71.14 1h39 s THR 201 CO 0.22 -0.06 0.09 -0.90 -0.69 0.00 0.00 174.62 173.28 1h39 n ASP 202 N 1.31 0.91 -4.63 3.53 5.75 -1.26 -4.99 116.55 117.17 1h39 n ASP 202 Ca -0.19 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.19 1h39 n ASP 202 Cb 0.57 0.99 0.02 0.00 -1.03 0.00 0.00 41.12 41.67 1h39 n ASP 202 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1h39 n VAL 203 N -2.57 2.75 -2.03 2.12 0.31 -1.26 -4.89 118.33 112.76 1h39 n VAL 203 Ca -0.25 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.16 1h39 n VAL 203 Cb 0.99 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 1h39 n VAL 203 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1h39 s PRO 204 N -2.23 4.26 -1.03 5.55 0.04 -1.26 -4.59 135.00 135.75 1h39 s PRO 204 Ca 0.65 2.26 -0.25 0.00 0.04 0.00 0.00 61.00 63.71 1h39 s PRO 204 Cb -0.51 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 30.73 1h39 s PRO 204 CO 0.55 -0.49 2.08 -1.25 0.04 0.00 0.00 177.00 177.94 1h39 s PRO 205 N 0.54 1.91 -0.67 0.56 0.04 -1.26 -4.59 135.00 131.53 1h39 s PRO 205 Ca 0.64 -0.46 -0.26 0.00 0.04 0.00 0.00 61.00 60.97 1h39 s PRO 205 Cb -0.41 -5.04 -0.04 0.00 0.04 0.00 0.00 34.50 29.05 1h39 s PRO 205 CO 0.35 -4.46 1.98 -0.98 0.04 0.00 0.00 177.00 173.94 1h39 s ARG 206 N 7.67 2.49 0.14 4.56 1.70 -1.26 -4.83 118.95 129.41 1h39 s ARG 206 Ca 0.77 0.50 -0.18 0.00 -0.47 0.00 0.00 55.73 56.36 1h39 s ARG 206 Cb -0.05 -4.59 -0.07 0.00 -0.57 0.00 0.00 34.95 29.66 1h39 s ARG 206 CO 0.11 -3.04 0.60 0.50 -1.08 0.00 0.00 175.30 172.39 1h39 s ARG 207 N 7.29 4.14 0.04 3.89 3.52 -1.26 -4.58 118.95 131.99 1h39 s ARG 207 Ca 0.73 0.68 -0.21 0.00 -0.13 0.00 0.00 55.73 56.81 1h39 s ARG 207 Cb -0.12 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 1h39 s ARG 207 CO 0.16 0.52 0.61 0.50 -0.81 0.00 0.00 175.30 176.28 1h39 s ARG 208 N -1.65 4.31 0.22 5.12 3.52 -1.26 -5.08 118.95 124.13 1h39 s ARG 208 Ca 0.36 0.79 0.02 0.00 -0.13 0.00 0.00 55.73 56.78 1h39 s ARG 208 Cb -0.17 -3.31 0.04 0.00 -1.56 0.00 0.00 34.95 29.95 1h39 s ARG 208 CO 0.20 0.46 0.31 0.41 -0.81 0.00 0.00 175.30 175.87 1h39 n GLY 209 N 2.15 1.60 3.57 8.12 0.00 -1.26 -5.00 105.19 114.37 1h39 n GLY 209 Ca -0.08 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 1h39 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h39 n ALA 210 N -2.82 -1.61 0.00 4.61 0.00 -1.26 -4.60 120.51 114.83 1h39 n ALA 210 Ca -0.05 -0.64 -0.00 0.00 0.00 0.00 0.00 53.44 52.75 1h39 n ALA 210 Cb 0.21 -2.04 -0.00 0.00 0.00 0.00 0.00 19.45 17.62 1h39 n ALA 210 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1h39 h LYS 211 N -1.86 -0.02 -0.88 0.00 1.79 -1.41 -3.15 116.57 111.05 1h39 h LYS 211 Ca -0.45 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.89 1h39 h LYS 211 Cb 1.28 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.86 1h39 h LYS 211 CO 0.39 -0.01 0.17 0.41 -1.08 0.00 0.00 179.45 179.33 1h39 n GLY 212 N -1.01 2.80 0.00 3.86 0.00 -0.41 -5.00 105.19 105.43 1h39 n GLY 212 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1h39 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h39 n GLY 213 N 0.00 2.54 3.12 -0.02 0.00 -1.19 -4.94 105.19 104.71 1h39 n GLY 213 Ca 0.23 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1h39 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h39 s GLY 214 N 0.00 1.39 0.05 -0.02 0.00 -1.26 -4.35 107.32 103.12 1h39 s GLY 214 Ca 0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 44.72 43.27 1h39 s GLY 214 CO 0.00 0.27 0.71 -0.32 0.00 0.00 0.00 173.10 173.77 1h39 s GLY 215 N 1.27 2.75 0.59 0.20 0.00 -1.26 -4.91 107.32 105.97 1h39 s GLY 215 Ca 0.05 0.21 0.14 0.00 0.00 0.00 0.00 44.72 45.12 1h39 s GLY 215 CO -0.13 0.95 1.40 0.11 0.00 0.00 0.00 173.10 175.44 1h39 h TRP 216 N 5.47 0.00 0.26 1.90 5.08 -1.98 -2.08 115.95 124.60 1h39 h TRP 216 Ca -0.45 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.51 1h39 h TRP 216 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1h39 h TRP 216 CO 0.65 0.00 -0.12 0.82 -1.28 0.00 0.00 178.44 178.51 1h39 h ILE 217 N 0.00 0.00 -0.99 0.12 5.03 -1.99 -0.41 117.51 119.27 1h39 h ILE 217 Ca 0.00 -0.05 0.11 0.00 -0.12 0.00 0.00 64.86 64.80 1h39 h ILE 217 Cb 1.22 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.93 1h39 h ILE 217 CO 0.00 0.00 0.63 -0.26 -0.68 0.00 0.00 178.15 177.84 1h39 h PHE 218 N -0.40 1.12 -0.57 1.37 0.04 -1.73 0.48 116.94 117.25 1h39 h PHE 218 Ca -0.04 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.83 1h39 h PHE 218 Cb 0.26 -0.36 -0.06 0.00 2.20 0.00 0.00 35.95 38.00 1h39 h PHE 218 CO 0.13 0.47 0.26 0.22 -0.60 0.00 0.00 178.31 178.79 1h39 h ASP 219 N 1.00 0.32 -0.14 2.17 3.58 -1.48 0.17 116.42 122.03 1h39 h ASP 219 Ca 0.48 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.88 1h39 h ASP 219 Cb 0.45 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1h39 h ASP 219 CO -0.24 0.21 -0.30 0.00 -2.88 0.00 0.00 179.24 176.03 1h39 h ALA 220 N 1.35 0.23 -0.94 -0.78 0.00 0.93 -3.09 119.26 116.96 1h39 h ALA 220 Ca 0.27 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1h39 h ALA 220 Cb 0.25 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1h39 h ALA 220 CO -0.23 0.26 0.56 1.25 0.00 0.00 0.00 179.25 181.09 1h39 h LEU 221 N 0.07 0.77 0.06 0.00 5.85 0.37 0.02 115.31 122.46 1h39 h LEU 221 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1h39 h LEU 221 Cb 0.90 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1h39 h LEU 221 CO 0.07 0.38 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.73 1h39 h ASP 222 N 0.84 -0.07 -0.84 1.25 3.58 -0.69 -0.68 116.42 119.80 1h39 h ASP 222 Ca 0.49 -0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.98 1h39 h ASP 222 Cb 0.57 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.58 1h39 h ASP 222 CO -0.30 0.01 0.55 0.03 -2.88 0.00 0.00 179.24 176.64 1h39 h ARG 223 N -0.15 0.77 -0.09 0.28 3.08 -1.19 -0.61 114.38 116.47 1h39 h ARG 223 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1h39 h ARG 223 Cb 0.12 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1h39 h ARG 223 CO 0.01 0.51 0.04 0.00 -1.07 0.00 0.00 179.97 179.47 1h39 h ALA 224 N 1.58 0.12 0.12 0.04 0.00 -0.46 -2.65 119.26 118.00 1h39 h ALA 224 Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1h39 h ALA 224 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1h39 h ALA 224 CO -0.16 -0.31 -0.10 -0.07 0.00 0.00 0.00 179.25 178.61 1h39 h LEU 225 N 0.00 -0.27 -2.17 0.00 3.38 0.29 0.13 115.31 116.66 1h39 h LEU 225 Ca 0.03 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1h39 h LEU 225 Cb 0.14 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1h39 h LEU 225 CO -0.00 -0.16 0.24 0.45 0.09 0.00 0.00 178.44 179.05 1h39 h HIS 226 N -0.24 0.00 0.05 1.13 3.86 -1.19 0.71 115.15 119.47 1h39 h HIS 226 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1h39 h HIS 226 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1h39 h HIS 226 CO -0.11 0.00 -0.03 0.78 0.86 0.00 0.00 177.93 179.43 1h39 h GLY 227 N 0.00 -0.08 1.19 2.45 0.00 -0.88 -3.23 103.07 102.52 1h39 h GLY 227 Ca 0.11 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.55 1h39 h GLY 227 CO -0.00 -0.03 0.35 -1.82 0.00 0.00 0.00 176.54 175.04 1h39 h TYR 228 N -0.93 0.37 0.00 5.60 3.20 0.43 0.28 116.97 125.92 1h39 h TYR 228 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1h39 h TYR 228 Cb 0.60 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1h39 h TYR 228 CO 0.15 0.18 0.00 0.37 -1.64 0.00 0.00 178.16 177.22 1h39 h GLN 229 N 0.35 0.00 0.00 1.82 5.75 0.35 -2.33 115.11 121.05 1h39 h GLN 229 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1h39 h GLN 229 Cb 0.46 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1h39 h GLN 229 CO -0.06 0.00 -1.09 1.63 -2.65 0.00 0.00 178.83 176.66 1h39 n LYS 230 N -2.61 0.52 -0.62 1.69 5.02 0.99 -4.96 118.16 118.19 1h39 n LYS 230 Ca -0.01 0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 1h39 n LYS 230 Cb 0.11 -1.73 0.19 0.00 -0.02 0.00 0.00 35.03 33.58 1h39 n LYS 230 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1h39 n LEU 231 N -2.44 -0.44 0.07 -0.35 4.77 -0.88 -4.93 117.00 112.81 1h39 n LEU 231 Ca 0.00 0.06 -0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1h39 n LEU 231 Cb 0.52 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1h39 n LEU 231 CO 0.40 -3.07 0.05 -1.28 -1.33 0.00 0.00 177.39 172.16 1h39 h SER 232 N -2.18 0.00 -3.45 -1.43 0.87 -1.93 -3.46 113.55 101.98 1h39 h SER 232 Ca -0.53 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 59.60 1h39 h SER 232 Cb 1.32 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.94 1h39 h SER 232 CO 0.42 0.61 -0.78 0.68 -0.53 0.00 0.00 176.83 177.24 1h39 s VAL 233 N -2.90 0.65 -0.31 2.23 -7.23 -1.26 -5.10 120.40 106.47 1h39 s VAL 233 Ca 0.00 -0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 1h39 s VAL 233 Cb 0.08 -0.65 0.09 0.00 0.56 0.00 0.00 36.38 36.46 1h39 s VAL 233 CO 0.79 0.25 0.03 -1.00 -0.31 0.00 0.00 175.10 174.86 1h39 s HIS 234 N 0.89 3.04 0.21 2.82 0.09 -1.26 -5.11 115.29 115.97 1h39 s HIS 234 Ca -0.11 -2.46 -0.32 0.00 -0.00 0.00 0.00 55.06 52.17 1h39 s HIS 234 Cb -0.15 -2.35 -0.12 0.00 -0.00 0.00 0.00 32.58 29.97 1h39 s HIS 234 CO 0.01 -0.90 1.72 -1.25 -0.00 0.00 0.00 174.74 174.32 1h39 s PRO 235 N 1.16 4.12 0.00 8.40 0.04 -1.26 -2.63 135.00 144.84 1h39 s PRO 235 Ca 0.06 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1h39 s PRO 235 Cb -0.19 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1h39 s PRO 235 CO -0.11 -0.75 0.00 1.19 0.04 0.00 0.00 177.00 177.37 1h39 n PHE 236 N 3.88 0.00 -0.17 0.56 3.72 -1.26 -4.87 117.46 119.33 1h39 n PHE 236 Ca 0.16 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1h39 n PHE 236 Cb 0.35 -0.98 0.01 0.00 -0.94 0.00 0.00 39.48 37.93 1h39 n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1h39 h ARG 237 N 0.83 0.72 -0.59 -1.08 2.43 -1.94 -0.02 114.38 114.73 1h39 h ARG 237 Ca 0.00 -0.11 0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1h39 h ARG 237 Cb 0.32 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.64 1h39 h ARG 237 CO 0.00 0.60 0.06 -0.09 -1.51 0.00 0.00 179.97 179.03 1h39 h ARG 238 N 0.66 0.17 -0.28 0.20 2.43 -1.89 0.15 114.38 115.83 1h39 h ARG 238 Ca 0.17 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1h39 h ARG 238 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1h39 h ARG 238 CO -0.02 0.12 -0.05 0.00 -1.51 0.00 0.00 179.97 178.50 1h39 h ALA 239 N 1.51 1.40 -0.53 2.80 0.00 -1.78 -1.58 119.26 121.08 1h39 h ALA 239 Ca 0.31 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1h39 h ALA 239 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1h39 h ALA 239 CO -0.46 0.42 -0.09 0.00 0.00 0.00 0.00 179.25 179.12 1h39 h ALA 240 N 1.54 0.72 0.17 0.00 0.00 0.11 -1.93 119.26 119.87 1h39 h ALA 240 Ca 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1h39 h ALA 240 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1h39 h ALA 240 CO 0.02 0.62 -0.08 0.93 0.00 0.00 0.00 179.25 180.74 1h39 h GLU 241 N 0.87 -0.22 -0.50 0.00 5.08 -0.63 -2.47 114.58 116.70 1h39 h GLU 241 Ca 0.14 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.61 1h39 h GLU 241 Cb 0.66 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 1h39 h GLU 241 CO 0.05 0.04 0.01 0.82 -1.00 0.00 0.00 179.01 178.92 1h39 h ILE 242 N -0.47 0.62 -0.83 3.13 1.08 -1.31 0.35 117.51 120.08 1h39 h ILE 242 Ca -0.02 -0.04 0.16 0.00 -0.39 0.00 0.00 64.86 64.57 1h39 h ILE 242 Cb 0.36 0.48 -0.10 0.00 -3.07 0.00 0.00 36.82 34.49 1h39 h ILE 242 CO 0.04 0.02 0.38 0.03 -0.69 0.00 0.00 178.15 177.93 1h39 h ARG 243 N 0.13 0.49 -0.05 2.37 2.47 -1.19 0.19 114.38 118.80 1h39 h ARG 243 Ca 0.25 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1h39 h ARG 243 Cb 0.38 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1h39 h ARG 243 CO -0.41 0.33 -0.07 0.00 0.56 0.00 0.00 179.97 180.37 1h39 h ALA 244 N 1.60 0.08 -0.33 0.04 0.00 -0.54 -1.98 119.26 118.13 1h39 h ALA 244 Ca 0.47 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1h39 h ALA 244 Cb 0.75 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1h39 h ALA 244 CO -0.42 -0.09 -0.14 1.25 0.00 0.00 0.00 179.25 179.84 1h39 h LEU 245 N -0.33 -0.49 -0.77 0.00 5.85 0.83 -0.25 115.31 120.15 1h39 h LEU 245 Ca 0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1h39 h LEU 245 Cb 0.61 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1h39 h LEU 245 CO 0.02 -0.18 0.45 0.44 -0.34 0.00 0.00 178.44 178.83 1h39 h ASP 246 N -0.09 0.93 -0.85 1.25 3.32 -0.71 0.20 116.42 120.47 1h39 h ASP 246 Ca 0.17 -0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.26 1h39 h ASP 246 Cb 0.34 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1h39 h ASP 246 CO -0.39 0.73 0.55 -0.25 -1.72 0.00 0.00 179.24 178.16 1h39 h TRP 247 N 1.05 0.84 0.07 4.55 7.01 -0.31 0.01 115.95 129.17 1h39 h TRP 247 Ca 0.27 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 1h39 h TRP 247 Cb -0.02 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 1h39 h TRP 247 CO -0.01 0.36 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.90 1h39 h LEU 248 N 0.76 -0.08 -1.21 0.65 3.38 -0.28 -2.95 115.31 115.58 1h39 h LEU 248 Ca 0.41 -0.52 0.14 0.00 0.09 0.00 0.00 57.88 57.99 1h39 h LEU 248 Cb 0.53 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1h39 h LEU 248 CO -0.17 0.54 0.59 -0.07 0.09 0.00 0.00 178.44 179.42 1h39 h LEU 249 N -0.77 0.73 -0.44 1.67 3.38 -0.44 -1.14 115.31 118.29 1h39 h LEU 249 Ca -0.01 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1h39 h LEU 249 Cb 0.60 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1h39 h LEU 249 CO 0.02 0.37 -0.53 -0.33 0.09 0.00 0.00 178.44 178.06 1h39 h GLU 250 N 0.77 0.69 -0.01 1.13 5.08 -1.08 -3.28 114.58 117.89 1h39 h GLU 250 Ca 0.46 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1h39 h GLU 250 Cb 0.66 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1h39 h GLU 250 CO -0.22 1.05 -0.20 0.54 -1.00 0.00 0.00 179.01 179.17 1h39 n ARG 251 N -3.98 0.99 -1.62 2.33 1.74 -0.62 -4.96 116.66 110.54 1h39 n ARG 251 Ca -0.03 -0.57 -0.49 0.00 -0.77 0.00 0.00 57.85 55.98 1h39 n ARG 251 Cb 0.61 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 1h39 n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1h39 n GLN 252 N -0.50 1.53 -0.96 5.56 7.27 -0.53 -4.76 117.38 124.98 1h39 n GLN 252 Ca 0.14 0.55 -0.28 0.00 0.07 0.00 0.00 57.00 57.47 1h39 n GLN 252 Cb 0.35 -2.21 0.21 0.00 2.41 0.00 0.00 30.24 31.00 1h39 n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1h39 s ALA 253 N 0.44 0.41 0.31 1.69 0.00 -0.58 -4.94 121.76 119.09 1h39 s ALA 253 Ca 0.79 -0.32 0.11 0.00 0.00 0.00 0.00 51.96 52.54 1h39 s ALA 253 Cb -0.83 -3.15 0.48 0.00 0.00 0.00 0.00 23.12 19.63 1h39 s ALA 253 CO 0.45 -3.23 1.69 0.78 0.00 0.00 0.00 175.76 175.45 1h39 h GLY 254 N -2.18 0.01 -1.27 0.00 0.00 -1.85 -2.89 103.07 94.89 1h39 h GLY 254 Ca -0.58 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1h39 h GLY 254 CO 0.56 0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.19 1h39 n ASP 255 N -3.91 1.74 0.00 0.19 5.68 -1.26 -4.85 116.55 114.15 1h39 n ASP 255 Ca -0.01 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 1h39 n ASP 255 Cb 0.54 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1h39 n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h39 n GLY 256 N 0.43 2.18 0.00 6.12 0.00 -1.09 -4.41 105.19 108.42 1h39 n GLY 256 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1h39 n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h39 n SER 257 N 0.00 0.00 -3.40 1.61 3.41 -1.26 -3.92 113.62 110.06 1h39 n SER 257 Ca 0.00 -0.18 -0.19 0.00 -0.26 0.00 0.00 58.87 58.23 1h39 n SER 257 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1h39 n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1h39 s TRP 258 N -0.01 -0.19 0.00 7.33 0.51 -1.26 -1.53 118.94 123.79 1h39 s TRP 258 Ca 0.00 -0.68 0.00 0.00 -2.12 0.00 0.00 56.10 53.30 1h39 s TRP 258 Cb 0.00 -0.53 0.00 0.00 -0.81 0.00 0.00 33.47 32.13 1h39 s TRP 258 CO 0.00 -0.92 0.00 0.41 -0.51 0.00 0.00 176.95 175.93 1h39 n GLY 259 N 4.70 1.54 2.22 0.98 0.00 -1.26 -3.61 105.19 109.76 1h39 n GLY 259 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1h39 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h39 n GLY 260 N -2.00 -0.08 3.08 -0.02 0.00 -1.26 -5.01 105.19 99.89 1h39 n GLY 260 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 1h39 n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h39 s ILE 261 N -2.57 0.79 0.14 -0.61 -4.36 -1.24 -4.35 121.20 109.01 1h39 s ILE 261 Ca 0.01 -0.85 -0.19 0.00 -0.26 0.00 0.00 60.65 59.36 1h39 s ILE 261 Cb -0.00 -0.74 0.01 0.00 1.25 0.00 0.00 42.46 42.98 1h39 s ILE 261 CO 0.01 -0.08 1.69 -0.61 0.24 0.00 0.00 174.94 176.18 1h39 h GLN 262 N 5.05 -0.03 0.00 0.37 -0.00 -1.50 -3.23 115.11 115.77 1h39 h GLN 262 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1h39 h GLN 262 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.68 1h39 h GLN 262 CO 0.44 -0.02 0.00 -2.30 0.00 0.00 0.00 178.83 176.96 1h39 n PRO 263 N -5.25 0.00 -0.29 -2.39 -0.02 -1.26 -1.78 135.00 124.01 1h39 n PRO 263 Ca -0.01 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.92 1h39 n PRO 263 Cb 0.17 -1.11 0.36 0.00 -0.02 0.00 0.00 33.50 32.90 1h39 n PRO 263 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h39 h PRO 264 N 0.00 0.72 -0.15 0.52 0.13 -1.85 -1.85 132.00 129.52 1h39 h PRO 264 Ca 0.00 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.13 1h39 h PRO 264 Cb 0.00 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 30.92 1h39 h PRO 264 CO 0.00 0.47 -0.15 2.35 -0.23 0.00 0.00 178.00 180.45 1h39 h TRP 265 N 0.74 -0.38 -0.63 1.56 2.91 -1.57 0.25 115.95 118.84 1h39 h TRP 265 Ca 0.47 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.49 1h39 h TRP 265 Cb 0.71 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.52 1h39 h TRP 265 CO -0.00 -0.22 0.32 0.74 -1.03 0.00 0.00 178.44 178.24 1h39 h PHE 266 N -0.17 0.89 -0.20 2.65 -1.00 -0.57 -2.61 116.94 115.92 1h39 h PHE 266 Ca 0.10 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 1h39 h PHE 266 Cb 0.32 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1h39 h PHE 266 CO -0.28 0.66 -0.08 1.88 -1.61 0.00 0.00 178.31 178.88 1h39 h TYR 267 N 0.86 0.47 -0.51 -0.55 0.05 -0.90 -2.61 116.97 113.76 1h39 h TYR 267 Ca 0.22 -0.11 0.10 0.00 0.05 0.00 0.00 58.73 58.98 1h39 h TYR 267 Cb 0.09 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 37.65 1h39 h TYR 267 CO -0.00 0.68 0.06 0.00 -1.05 0.00 0.00 178.16 177.85 1h39 h ALA 268 N 0.71 0.54 -0.27 3.88 0.00 -0.45 0.27 119.26 123.94 1h39 h ALA 268 Ca 0.05 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1h39 h ALA 268 Cb 0.55 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1h39 h ALA 268 CO 0.03 -0.35 -0.03 -0.07 0.00 0.00 0.00 179.25 178.83 1h39 h LEU 269 N 0.18 -0.16 -0.09 0.00 3.38 -1.40 0.13 115.31 117.34 1h39 h LEU 269 Ca 0.26 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.32 1h39 h LEU 269 Cb 0.38 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1h39 h LEU 269 CO -0.38 -0.05 -0.05 0.40 0.09 0.00 0.00 178.44 178.45 1h39 h ILE 270 N 0.05 0.84 -0.98 1.22 2.04 -0.78 0.12 117.51 120.02 1h39 h ILE 270 Ca 0.13 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.12 1h39 h ILE 270 Cb 0.18 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 1h39 h ILE 270 CO -0.24 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.51 1h39 h ALA 271 N 1.04 1.49 -0.45 1.87 0.00 0.09 0.13 119.26 123.44 1h39 h ALA 271 Ca 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1h39 h ALA 271 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1h39 h ALA 271 CO -0.12 0.16 -0.22 -0.07 0.00 0.00 0.00 179.25 179.00 1h39 h LEU 272 N 0.92 0.93 -1.19 0.00 3.38 0.07 -2.31 115.31 117.12 1h39 h LEU 272 Ca 0.50 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1h39 h LEU 272 Cb 0.54 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1h39 h LEU 272 CO -0.29 1.11 0.26 0.50 0.09 0.00 0.00 178.44 180.12 1h39 h LYS 273 N 0.79 0.83 -0.85 1.13 1.63 0.12 -1.64 116.57 118.58 1h39 h LYS 273 Ca 0.10 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1h39 h LYS 273 Cb 0.77 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 1h39 h LYS 273 CO 0.06 0.66 0.52 0.82 -3.45 0.00 0.00 179.45 178.06 1h39 h ILE 274 N 0.82 1.24 -0.24 2.00 1.08 -0.32 -2.45 117.51 119.64 1h39 h ILE 274 Ca 0.20 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1h39 h ILE 274 Cb 0.12 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 1h39 h ILE 274 CO -0.02 0.25 0.00 0.18 -0.69 0.00 0.00 178.15 177.86 1h39 n LEU 275 N -4.43 2.22 -3.20 1.44 4.77 -0.92 -4.89 117.00 112.00 1h39 n LEU 275 Ca 0.09 -1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 54.72 1h39 n LEU 275 Cb 0.06 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1h39 n LEU 275 CO 0.37 0.38 0.01 0.47 -1.33 0.00 0.00 177.39 177.30 1h39 n ASP 276 N 0.26 -5.45 -1.97 -1.43 8.00 -0.92 -4.88 116.55 110.15 1h39 n ASP 276 Ca 0.10 -0.36 -0.23 0.00 0.71 0.00 0.00 54.79 55.01 1h39 n ASP 276 Cb 0.45 -4.41 0.12 0.00 -0.02 0.00 0.00 41.12 37.25 1h39 n ASP 276 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1h39 n MET 277 N -4.06 2.59 0.08 -1.24 2.81 -0.66 -4.58 117.12 112.06 1h39 n MET 277 Ca -0.07 -3.40 0.11 0.00 -1.81 0.00 0.00 57.70 52.53 1h39 n MET 277 Cb 0.59 -2.15 0.44 0.00 -0.71 0.00 0.00 33.22 31.38 1h39 n MET 277 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1h39 n THR 278 N -0.97 0.82 -0.94 2.03 -2.24 -1.26 -2.26 114.28 109.46 1h39 n THR 278 Ca 0.51 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.55 1h39 n THR 278 Cb 1.01 -1.03 0.29 0.00 -2.10 0.00 0.00 70.33 68.50 1h39 n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h39 n GLN 279 N -1.99 3.43 -3.93 -0.78 6.02 -1.26 -4.53 117.38 114.34 1h39 n GLN 279 Ca 0.03 -2.90 -0.33 0.00 -0.01 0.00 0.00 57.00 53.79 1h39 n GLN 279 Cb 0.24 -1.93 -0.05 0.00 1.02 0.00 0.00 30.24 29.51 1h39 n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1h39 s HIS 280 N -2.72 3.51 0.17 1.08 2.46 -0.96 -4.99 115.29 113.84 1h39 s HIS 280 Ca 0.45 0.33 -0.23 0.00 0.47 0.00 0.00 55.06 56.08 1h39 s HIS 280 Cb 0.35 -1.81 0.06 0.00 -0.13 0.00 0.00 32.58 31.05 1h39 s HIS 280 CO 0.11 0.63 1.59 -1.35 -2.47 0.00 0.00 174.74 173.26 1h39 h PRO 281 N 3.79 -0.24 -1.04 2.88 0.11 -1.93 -1.44 132.00 134.13 1h39 h PRO 281 Ca -0.49 0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.91 1h39 h PRO 281 Cb 1.18 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1h39 h PRO 281 CO 0.69 -0.16 0.68 0.00 -0.21 0.00 0.00 178.00 179.00 1h39 h ALA 282 N 0.74 2.38 0.01 -0.75 0.00 -1.95 0.81 119.26 120.50 1h39 h ALA 282 Ca 0.17 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1h39 h ALA 282 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1h39 h ALA 282 CO -0.56 -0.76 -0.01 0.35 0.00 0.00 0.00 179.25 178.28 1h39 h PHE 283 N 0.32 -0.02 -0.19 0.00 3.04 -1.54 -1.99 116.94 116.56 1h39 h PHE 283 Ca 0.57 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.57 1h39 h PHE 283 Cb 1.58 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 40.03 1h39 h PHE 283 CO -0.00 0.78 -0.29 0.82 -2.02 0.00 0.00 178.31 177.60 1h39 h ILE 284 N -0.92 0.33 -0.28 1.41 1.08 -0.43 0.74 117.51 119.44 1h39 h ILE 284 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 1h39 h ILE 284 Cb 0.80 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1h39 h ILE 284 CO 0.00 0.00 -0.02 0.50 -0.69 0.00 0.00 178.15 177.95 1h39 h LYS 285 N -0.32 0.43 0.00 2.37 1.63 -0.99 -1.51 116.57 118.17 1h39 h LYS 285 Ca 0.12 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 1h39 h LYS 285 Cb 0.51 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1h39 h LYS 285 CO -0.38 0.47 -0.41 0.78 -3.45 0.00 0.00 179.45 176.47 1h39 h GLY 286 N 0.77 0.00 0.12 5.01 0.00 -0.49 -2.28 103.07 106.20 1h39 h GLY 286 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1h39 h GLY 286 CO 0.01 0.00 -0.04 -0.25 0.00 0.00 0.00 176.54 176.26 1h39 h TRP 287 N 0.00 -0.10 0.00 5.60 2.91 -0.16 -3.33 115.95 120.87 1h39 h TRP 287 Ca -0.00 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1h39 h TRP 287 Cb 0.88 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.56 1h39 h TRP 287 CO 0.00 0.21 -0.08 1.05 -1.03 0.00 0.00 178.44 178.59 1h39 h GLU 288 N -0.99 0.00 0.00 2.65 4.11 -1.39 -2.50 114.58 116.46 1h39 h GLU 288 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1h39 h GLU 288 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1h39 h GLU 288 CO 0.02 0.08 -0.02 0.78 0.07 0.00 0.00 179.01 179.94 1h39 h GLY 289 N 0.59 0.00 0.74 1.06 0.00 -1.51 -3.12 103.07 100.84 1h39 h GLY 289 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1h39 h GLY 289 CO 0.01 0.00 0.24 1.41 0.00 0.00 0.00 176.54 178.20 1h39 h LEU 290 N 0.00 0.34 -1.56 3.11 3.38 -1.58 -2.92 115.31 116.09 1h39 h LEU 290 Ca -0.00 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.37 1h39 h LEU 290 Cb 0.14 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 1h39 h LEU 290 CO 0.00 0.24 0.84 -0.33 0.09 0.00 0.00 178.44 179.29 1h39 h GLU 291 N 0.47 0.16 0.00 1.13 4.39 -1.77 0.12 114.58 119.08 1h39 h GLU 291 Ca 0.21 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1h39 h GLU 291 Cb 0.12 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1h39 h GLU 291 CO -0.15 0.10 -0.10 1.25 -1.16 0.00 0.00 179.01 178.95 1h39 h LEU 292 N 0.16 0.00 0.00 1.33 5.85 -1.75 -2.16 115.31 118.74 1h39 h LEU 292 Ca 0.71 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.43 1h39 h LEU 292 Cb 2.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.31 1h39 h LEU 292 CO -0.27 0.10 -0.63 -1.22 -0.34 0.00 0.00 178.44 176.08 1h39 n TYR 293 N -4.19 0.24 -1.59 1.25 4.02 0.40 -4.92 117.16 112.37 1h39 n TYR 293 Ca -0.03 0.07 -0.30 0.00 -0.01 0.00 0.00 57.90 57.63 1h39 n TYR 293 Cb 0.18 -0.42 0.07 0.00 -0.02 0.00 0.00 39.34 39.15 1h39 n TYR 293 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1h39 s GLY 294 N -3.34 1.64 -0.11 2.72 0.00 -0.81 -1.22 107.32 106.20 1h39 s GLY 294 Ca 0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.62 1h39 s GLY 294 CO 0.72 0.26 0.26 0.14 0.00 0.00 0.00 173.10 174.48 1h39 s VAL 295 N -3.14 -0.04 0.06 1.40 1.01 0.74 -4.90 120.40 115.54 1h39 s VAL 295 Ca 0.59 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1h39 s VAL 295 Cb -0.14 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1h39 s VAL 295 CO 0.54 0.05 0.97 -1.61 0.00 0.00 0.00 175.10 175.06 1h39 s GLU 296 N 1.20 4.63 -0.16 2.72 0.41 -1.26 -1.75 118.70 124.49 1h39 s GLU 296 Ca -0.09 1.44 -0.06 0.00 -0.41 0.00 0.00 54.97 55.85 1h39 s GLU 296 Cb -0.10 -3.41 -0.04 0.00 -1.78 0.00 0.00 34.13 28.80 1h39 s GLU 296 CO -0.08 0.09 0.04 -0.51 -0.49 0.00 0.00 175.26 174.31 1h39 s LEU 297 N 0.47 3.71 0.42 1.80 1.43 0.10 -4.98 118.68 121.64 1h39 s LEU 297 Ca 0.49 0.07 0.20 0.00 -1.03 0.00 0.00 54.13 53.87 1h39 s LEU 297 Cb -0.22 -1.92 1.15 0.00 0.03 0.00 0.00 46.19 45.23 1h39 s LEU 297 CO 0.29 0.22 1.80 -2.24 0.23 0.00 0.00 176.35 176.65 1h39 h ASP 298 N 6.38 0.38 0.00 2.29 3.04 -1.96 0.22 116.42 126.76 1h39 h ASP 298 Ca -0.39 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 1h39 h ASP 298 Cb 1.18 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1h39 h ASP 298 CO 0.66 0.10 0.00 0.00 -2.04 0.00 0.00 179.24 177.96 1h39 n TYR 299 N -4.54 0.00 -0.01 4.15 0.18 -1.26 -4.82 117.16 110.86 1h39 n TYR 299 Ca 0.23 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.01 1h39 n TYR 299 Cb 0.87 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.80 1h39 n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h39 n GLY 300 N 0.33 0.73 3.91 -7.48 0.00 0.76 -5.01 105.19 98.42 1h39 n GLY 300 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1h39 n GLY 300 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h39 s GLY 301 N -1.98 1.63 -0.02 -0.02 0.00 -1.20 -4.30 107.32 101.43 1h39 s GLY 301 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1h39 s GLY 301 CO 0.00 -0.26 0.00 0.86 0.00 0.00 0.00 173.10 173.71 1h39 s TRP 302 N -3.40 0.18 0.14 1.90 -0.00 -0.43 0.03 118.94 117.36 1h39 s TRP 302 Ca 0.60 0.03 0.07 0.00 -0.00 0.00 0.00 56.10 56.79 1h39 s TRP 302 Cb -0.11 -0.26 -0.04 0.00 -0.00 0.00 0.00 33.47 33.06 1h39 s TRP 302 CO 0.48 -0.08 -0.15 0.00 -0.00 0.00 0.00 176.95 177.20 1h39 s MET 303 N 0.69 1.10 -0.14 5.86 0.23 -0.72 -4.54 119.30 121.79 1h39 s MET 303 Ca -0.06 -1.31 -0.00 0.00 -1.03 0.00 0.00 55.69 53.29 1h39 s MET 303 Cb -0.09 -1.00 -0.01 0.00 -1.53 0.00 0.00 34.83 32.19 1h39 s MET 303 CO -0.02 0.19 -0.12 0.12 -2.03 0.00 0.00 175.02 173.16 1h39 s PHE 304 N -2.21 2.83 0.28 3.16 2.19 -1.26 -0.19 117.98 122.77 1h39 s PHE 304 Ca 0.11 -0.66 -0.29 0.00 0.33 0.00 0.00 56.93 56.42 1h39 s PHE 304 Cb -0.05 -1.86 -0.09 0.00 -1.31 0.00 0.00 43.02 39.71 1h39 s PHE 304 CO 0.04 -0.23 0.99 -0.65 1.83 0.00 0.00 175.22 177.19 1h39 s GLN 305 N 0.42 4.71 0.36 10.12 -0.21 -0.35 -4.70 119.66 130.01 1h39 s GLN 305 Ca -0.10 1.53 0.09 0.00 0.02 0.00 0.00 55.36 56.90 1h39 s GLN 305 Cb -0.16 -3.11 0.69 0.00 1.00 0.00 0.00 33.01 31.43 1h39 s GLN 305 CO 0.05 0.35 1.86 0.00 -2.12 0.00 0.00 175.29 175.43 1h39 h ALA 306 N 3.76 1.40 -2.38 6.09 0.00 -1.91 -3.43 119.26 122.80 1h39 h ALA 306 Ca -0.46 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.25 1h39 h ALA 306 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1h39 h ALA 306 CO 0.67 0.42 0.32 0.45 0.00 0.00 0.00 179.25 181.10 1h39 n SER 307 N -4.21 -1.28 -4.00 0.00 2.88 -1.26 -1.41 113.62 104.33 1h39 n SER 307 Ca -0.01 -1.76 -0.18 0.00 -1.33 0.00 0.00 58.87 55.59 1h39 n SER 307 Cb 0.32 2.10 -0.15 0.00 -0.75 0.00 0.00 64.21 65.74 1h39 n SER 307 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1h39 s ILE 308 N -2.30 0.65 -0.46 2.46 -4.36 -1.26 -4.59 121.20 111.35 1h39 s ILE 308 Ca 0.13 -0.34 0.03 0.00 -0.26 0.00 0.00 60.65 60.22 1h39 s ILE 308 Cb -0.02 -0.55 0.45 0.00 1.25 0.00 0.00 42.46 43.59 1h39 s ILE 308 CO 0.05 0.19 1.55 -1.54 0.24 0.00 0.00 174.94 175.43 1h39 n SER 309 N 2.96 6.09 0.12 4.36 3.41 -1.26 -3.57 113.62 125.73 1h39 n SER 309 Ca -0.14 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.58 1h39 n SER 309 Cb 0.57 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 1h39 n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1h39 h PRO 310 N 2.14 -0.56 -0.19 4.33 0.13 -1.79 0.25 132.00 136.31 1h39 h PRO 310 Ca 0.47 0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.68 1h39 h PRO 310 Cb 1.19 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1h39 h PRO 310 CO 1.11 -0.37 -0.43 0.28 -0.23 0.00 0.00 178.00 178.36 1h39 h VAL 311 N -0.58 0.13 -0.29 1.56 2.07 -1.75 -0.61 116.25 116.77 1h39 h VAL 311 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1h39 h VAL 311 Cb 0.55 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 1h39 h VAL 311 CO -0.14 0.00 -0.33 -0.25 0.02 0.00 0.00 177.57 176.87 1h39 h TRP 312 N -0.46 -0.90 -0.57 1.57 2.91 -1.59 0.48 115.95 117.39 1h39 h TRP 312 Ca 0.09 0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.21 1h39 h TRP 312 Cb 0.62 0.44 -0.05 0.00 -0.51 0.00 0.00 29.16 29.66 1h39 h TRP 312 CO -0.52 -0.39 0.29 -0.44 -1.03 0.00 0.00 178.44 176.36 1h39 h ASP 313 N -0.31 0.42 0.32 2.65 3.32 -0.57 -2.37 116.42 119.87 1h39 h ASP 313 Ca 0.14 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1h39 h ASP 313 Cb 0.54 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1h39 h ASP 313 CO -0.46 0.28 -0.23 0.74 -1.72 0.00 0.00 179.24 177.84 1h39 h THR 314 N 0.55 0.52 -0.48 0.35 2.02 -0.25 -0.43 112.91 115.18 1h39 h THR 314 Ca 0.26 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.53 1h39 h THR 314 Cb 0.17 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 67.02 1h39 h THR 314 CO -0.18 0.00 0.02 1.23 0.37 0.00 0.00 175.52 176.96 1h39 h GLY 315 N -0.54 0.51 0.74 2.16 0.00 -0.69 -1.80 103.07 103.45 1h39 h GLY 315 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1h39 h GLY 315 CO 0.01 -0.12 -0.11 1.41 0.00 0.00 0.00 176.54 177.72 1h39 h LEU 316 N 0.14 -0.27 -0.91 3.11 3.38 -1.33 -2.68 115.31 116.75 1h39 h LEU 316 Ca 0.24 -0.17 0.26 0.00 0.09 0.00 0.00 57.88 58.30 1h39 h LEU 316 Cb 0.36 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.03 1h39 h LEU 316 CO -0.39 0.03 0.27 0.00 0.09 0.00 0.00 178.44 178.44 1h39 h ALA 317 N 0.11 1.40 0.21 1.53 0.00 -0.79 0.18 119.26 121.89 1h39 h ALA 317 Ca -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1h39 h ALA 317 Cb 0.42 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h39 h ALA 317 CO 0.05 -0.52 -0.10 0.28 0.00 0.00 0.00 179.25 178.96 1h39 h VAL 318 N 0.19 0.85 -0.96 0.00 2.07 -1.22 -1.06 116.25 116.11 1h39 h VAL 318 Ca 0.60 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.89 1h39 h VAL 318 Cb 1.26 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 1h39 h VAL 318 CO -0.69 0.06 0.63 -0.07 0.02 0.00 0.00 177.57 177.53 1h39 h LEU 319 N -0.40 1.05 0.21 2.57 3.38 -0.60 0.39 115.31 121.91 1h39 h LEU 319 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h39 h LEU 319 Cb 0.31 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h39 h LEU 319 CO 0.05 0.72 -0.10 0.00 0.09 0.00 0.00 178.44 179.19 1h39 h ALA 320 N 1.44 -0.28 -0.44 1.53 0.00 -0.58 0.11 119.26 121.04 1h39 h ALA 320 Ca 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1h39 h ALA 320 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h39 h ALA 320 CO -0.12 -0.61 0.16 -0.07 0.00 0.00 0.00 179.25 178.62 1h39 h LEU 321 N -0.39 0.58 -0.12 0.00 3.38 -0.81 0.39 115.31 118.34 1h39 h LEU 321 Ca -0.03 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1h39 h LEU 321 Cb 0.30 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1h39 h LEU 321 CO 0.05 0.54 -0.34 0.03 0.09 0.00 0.00 178.44 178.80 1h39 h ARG 322 N 0.63 0.44 0.00 1.13 2.47 -0.75 -0.30 114.38 118.00 1h39 h ARG 322 Ca 0.15 -0.32 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 1h39 h ARG 322 Cb 0.15 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1h39 h ARG 322 CO -0.01 0.94 -0.24 0.00 0.56 0.00 0.00 179.97 181.21 1h39 h ALA 323 N 0.50 1.42 0.37 0.04 0.00 -0.49 -3.03 119.26 118.07 1h39 h ALA 323 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1h39 h ALA 323 Cb 0.96 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1h39 h ALA 323 CO 0.07 0.31 -0.18 0.00 0.00 0.00 0.00 179.25 179.45 1h39 h ALA 324 N 1.76 -0.83 0.00 0.00 0.00 0.00 -3.37 119.26 116.81 1h39 h ALA 324 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1h39 h ALA 324 Cb 0.48 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1h39 h ALA 324 CO 0.03 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 178.89 1h39 n GLY 325 N -0.38 -0.01 2.32 0.00 0.00 -0.14 -4.78 105.19 102.19 1h39 n GLY 325 Ca -0.06 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1h39 n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h39 n LEU 326 N -1.25 -1.25 -4.74 0.99 4.77 -1.10 -4.86 117.00 109.56 1h39 n LEU 326 Ca 0.00 0.70 -0.39 0.00 -0.03 0.00 0.00 56.01 56.29 1h39 n LEU 326 Cb 0.00 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.49 1h39 n LEU 326 CO 0.00 -2.36 0.97 -2.65 -1.33 0.00 0.00 177.39 172.02 1h39 n PRO 327 N 0.77 1.78 0.26 3.23 -0.02 -1.26 -4.66 135.00 135.10 1h39 n PRO 327 Ca 0.11 0.65 0.18 0.00 -2.02 0.00 0.00 63.50 62.42 1h39 n PRO 327 Cb 0.21 -2.55 0.95 0.00 -0.02 0.00 0.00 33.50 32.09 1h39 n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h39 h ALA 328 N 1.61 1.00 -0.19 3.55 0.00 -1.89 -0.21 119.26 123.14 1h39 h ALA 328 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1h39 h ALA 328 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1h39 h ALA 328 CO 0.58 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 1h39 n ASP 329 N -2.72 2.89 -4.61 0.00 5.68 -1.26 -0.30 116.55 116.22 1h39 n ASP 329 Ca -0.02 -2.46 -0.53 0.00 -0.50 0.00 0.00 54.79 51.28 1h39 n ASP 329 Cb 0.06 -0.30 -0.06 0.00 -1.14 0.00 0.00 41.12 39.68 1h39 n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1h39 n HIS 330 N -0.31 1.62 -0.26 2.11 -0.00 -0.09 -4.80 115.22 113.50 1h39 n HIS 330 Ca 0.12 0.62 0.18 0.00 0.46 0.00 0.00 57.72 59.10 1h39 n HIS 330 Cb 0.55 -2.36 0.48 0.00 -0.12 0.00 0.00 29.99 28.54 1h39 n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1h39 h ASP 331 N 5.10 0.46 -0.45 0.26 2.03 -1.96 -1.08 116.42 120.79 1h39 h ASP 331 Ca -0.47 0.05 -0.14 0.00 -0.73 0.00 0.00 57.03 55.73 1h39 h ASP 331 Cb 1.33 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1h39 h ASP 331 CO 0.81 0.19 -0.26 -0.09 -1.03 0.00 0.00 179.24 178.86 1h39 h ARG 332 N 0.46 0.98 0.00 4.15 9.65 -1.98 -2.67 114.38 124.98 1h39 h ARG 332 Ca 0.48 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1h39 h ARG 332 Cb 1.11 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1h39 h ARG 332 CO -0.20 1.12 0.00 1.28 2.80 0.00 0.00 179.97 184.97 1h39 n LEU 333 N -4.09 0.00 0.11 3.80 4.77 -0.47 -2.84 117.00 118.28 1h39 n LEU 333 Ca -0.01 0.47 -0.24 0.00 -0.03 0.00 0.00 56.01 56.21 1h39 n LEU 333 Cb 0.48 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1h39 n LEU 333 CO 0.47 -0.11 -0.39 0.58 -1.33 0.00 0.00 177.39 176.62 1h39 h VAL 334 N 0.00 1.11 -0.87 4.08 2.07 -1.05 -2.24 116.25 119.36 1h39 h VAL 334 Ca 0.00 -2.60 0.16 0.00 0.82 0.00 0.00 66.70 65.08 1h39 h VAL 334 Cb 0.36 2.91 -0.10 0.00 -1.52 0.00 0.00 31.29 32.94 1h39 h VAL 334 CO 0.00 0.83 0.44 0.11 0.02 0.00 0.00 177.57 178.98 1h39 h LYS 335 N 0.12 0.58 0.75 1.57 1.79 -1.40 0.26 116.57 120.24 1h39 h LYS 335 Ca -0.30 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.10 1h39 h LYS 335 Cb 2.13 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 32.66 1h39 h LYS 335 CO 0.23 0.38 -0.36 0.00 -1.08 0.00 0.00 179.45 178.62 1h39 h ALA 336 N 1.59 -1.10 -0.76 3.86 0.00 -1.57 -1.27 119.26 120.01 1h39 h ALA 336 Ca 0.49 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.32 1h39 h ALA 336 Cb 0.74 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 1h39 h ALA 336 CO -0.39 -1.02 -0.24 0.78 0.00 0.00 0.00 179.25 178.38 1h39 h GLY 337 N -1.17 0.40 0.98 0.00 0.00 -0.63 0.29 103.07 102.94 1h39 h GLY 337 Ca -0.10 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1h39 h GLY 337 CO 0.17 -0.27 -0.04 0.83 0.00 0.00 0.00 176.54 177.23 1h39 h GLU 338 N -0.03 -0.10 -0.77 4.80 4.39 -0.55 -1.87 114.58 120.45 1h39 h GLU 338 Ca 0.34 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.16 1h39 h GLU 338 Cb 0.57 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.16 1h39 h GLU 338 CO -0.79 -0.07 0.39 2.35 -1.16 0.00 0.00 179.01 179.73 1h39 h TRP 339 N -0.11 0.69 -0.45 4.33 7.01 0.27 -1.33 115.95 126.36 1h39 h TRP 339 Ca -0.01 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 1h39 h TRP 339 Cb 0.09 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 1h39 h TRP 339 CO -0.08 0.23 0.03 -0.07 -2.79 0.00 0.00 178.44 175.75 1h39 h LEU 340 N 0.63 0.69 -1.10 0.65 3.38 -0.21 -2.70 115.31 116.65 1h39 h LEU 340 Ca 0.39 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1h39 h LEU 340 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1h39 h LEU 340 CO -0.30 0.74 0.09 -0.07 0.09 0.00 0.00 178.44 178.99 1h39 h LEU 341 N 0.69 0.68 -1.39 1.67 3.38 -0.43 -1.48 115.31 118.42 1h39 h LEU 341 Ca 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1h39 h LEU 341 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1h39 h LEU 341 CO 0.01 0.69 0.00 0.44 0.09 0.00 0.00 178.44 179.67 1h39 h ASP 342 N 0.70 0.00 0.75 -0.43 3.32 -1.14 -3.18 116.42 116.43 1h39 h ASP 342 Ca 0.15 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.96 1h39 h ASP 342 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1h39 h ASP 342 CO 0.00 0.00 -1.09 0.03 -1.72 0.00 0.00 179.24 176.46 1h39 h ARG 343 N 0.00 0.17 -6.14 3.56 2.47 -1.12 -3.47 114.38 109.85 1h39 h ARG 343 Ca 0.00 -0.26 -0.74 0.00 -1.26 0.00 0.00 59.98 57.72 1h39 h ARG 343 Cb 0.51 0.09 0.05 0.00 -1.65 0.00 0.00 29.97 28.97 1h39 h ARG 343 CO 0.00 1.10 0.35 0.94 0.56 0.00 0.00 179.97 182.92 1h39 n GLN 344 N -3.49 0.63 -2.81 0.04 7.27 -1.16 -4.81 117.38 113.05 1h39 n GLN 344 Ca -0.05 0.23 -0.41 0.00 0.07 0.00 0.00 57.00 56.84 1h39 n GLN 344 Cb 0.96 -1.81 -0.04 0.00 2.41 0.00 0.00 30.24 31.76 1h39 n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1h39 s ILE 345 N 0.71 4.71 -0.17 1.69 -1.09 -0.30 -4.98 121.20 121.76 1h39 s ILE 345 Ca 0.89 1.91 0.14 0.00 -2.23 0.00 0.00 60.65 61.36 1h39 s ILE 345 Cb -1.12 -4.25 0.38 0.00 -1.58 0.00 0.00 42.46 35.89 1h39 s ILE 345 CO 0.55 0.28 1.19 0.35 -1.23 0.00 0.00 174.94 176.07 1h39 n THR 346 N 3.21 1.95 -4.08 2.92 -2.24 -1.26 -3.03 114.28 111.75 1h39 n THR 346 Ca 0.02 -2.78 -0.11 0.00 -2.27 0.00 0.00 64.05 58.90 1h39 n THR 346 Cb 0.50 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1h39 n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1h39 s VAL 347 N -2.89 0.48 0.13 2.28 -7.23 -1.26 -4.82 120.40 107.09 1h39 s VAL 347 Ca 0.35 -1.35 -0.31 0.00 -1.81 0.00 0.00 61.98 58.86 1h39 s VAL 347 Cb 0.34 -0.93 -0.10 0.00 0.56 0.00 0.00 36.38 36.24 1h39 s VAL 347 CO -0.05 -0.59 1.85 -2.84 -0.31 0.00 0.00 175.10 173.15 1h39 s PRO 348 N -2.39 4.13 0.38 4.82 0.02 -1.26 -4.87 135.00 135.83 1h39 s PRO 348 Ca -0.03 2.62 0.04 0.00 0.02 0.00 0.00 61.00 63.65 1h39 s PRO 348 Cb -0.04 -3.60 0.04 0.00 0.02 0.00 0.00 34.50 30.92 1h39 s PRO 348 CO -0.02 -0.85 0.36 0.41 -0.33 0.00 0.00 177.00 176.57 1h39 n GLY 349 N 4.26 2.56 0.36 0.52 0.00 -1.26 -4.86 105.19 106.76 1h39 n GLY 349 Ca 0.18 -2.24 0.18 0.00 0.00 0.00 0.00 46.02 44.14 1h39 n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h39 h ASP 350 N 0.32 0.00 -0.09 1.61 3.32 -1.89 0.99 116.42 120.67 1h39 h ASP 350 Ca -0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1h39 h ASP 350 Cb 0.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1h39 h ASP 350 CO 0.33 0.00 0.05 4.11 -1.72 0.00 0.00 179.24 182.01 1h39 h TRP 351 N 0.00 0.15 -0.02 4.55 5.08 -1.84 -1.93 115.95 121.95 1h39 h TRP 351 Ca 0.10 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.08 1h39 h TRP 351 Cb 0.77 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.87 1h39 h TRP 351 CO 0.00 0.13 0.15 0.00 -1.28 0.00 0.00 178.44 177.44 1h39 h ALA 352 N 1.89 1.22 -0.06 0.11 0.00 -1.06 -1.53 119.26 119.83 1h39 h ALA 352 Ca 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1h39 h ALA 352 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1h39 h ALA 352 CO -0.00 -0.16 0.06 0.28 0.00 0.00 0.00 179.25 179.42 1h39 h VAL 353 N 0.00 0.65 0.00 0.00 2.07 -1.52 -1.72 116.25 115.73 1h39 h VAL 353 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1h39 h VAL 353 Cb 0.32 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1h39 h VAL 353 CO -0.00 0.00 -1.74 0.29 0.02 0.00 0.00 177.57 176.14 1h39 n LYS 354 N -4.05 0.83 -3.15 1.57 4.76 -0.59 -4.70 118.16 112.83 1h39 n LYS 354 Ca -0.02 -0.10 -0.25 0.00 -2.87 0.00 0.00 58.31 55.08 1h39 n LYS 354 Cb 0.15 -1.34 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 1h39 n LYS 354 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h39 n ARG 355 N -2.15 2.28 0.21 1.97 5.12 -0.99 -4.94 116.66 118.17 1h39 n ARG 355 Ca -0.08 -4.31 0.17 0.00 -1.93 0.00 0.00 57.85 51.70 1h39 n ARG 355 Cb 0.54 -2.01 0.84 0.00 -1.16 0.00 0.00 32.46 30.67 1h39 n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1h39 h PRO 356 N 3.44 0.00 -0.68 5.56 0.11 -1.61 -1.65 132.00 137.17 1h39 h PRO 356 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1h39 h PRO 356 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1h39 h PRO 356 CO 0.72 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.60 1h39 n ASN 357 N -3.74 3.89 -4.77 -2.05 5.03 -1.26 -4.94 115.26 107.42 1h39 n ASN 357 Ca 0.01 -2.00 -0.38 0.00 0.87 0.00 0.00 54.58 53.09 1h39 n ASN 357 Cb 0.33 -0.45 -0.06 0.00 -1.02 0.00 0.00 39.78 38.57 1h39 n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h39 s LEU 358 N -1.07 4.37 0.02 3.41 2.96 -0.62 -5.06 118.68 122.69 1h39 s LEU 358 Ca 0.48 0.94 -0.26 0.00 -0.22 0.00 0.00 54.13 55.07 1h39 s LEU 358 Cb 0.25 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1h39 s LEU 358 CO 0.33 0.13 0.79 -0.54 -1.32 0.00 0.00 176.35 175.74 1h39 s LYS 359 N -0.12 4.51 0.39 1.98 -0.14 -1.26 -5.02 119.74 120.07 1h39 s LYS 359 Ca 0.26 1.10 -0.26 0.00 -1.36 0.00 0.00 55.97 55.71 1h39 s LYS 359 Cb -0.16 -3.40 -0.11 0.00 -1.68 0.00 0.00 37.83 32.48 1h39 s LYS 359 CO 0.13 0.19 1.26 -2.30 -0.76 0.00 0.00 175.35 173.87 1h39 n PRO 360 N 3.16 1.98 -0.01 -1.68 -0.02 -1.26 -4.58 135.00 132.59 1h39 n PRO 360 Ca -0.01 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1h39 n PRO 360 Cb 0.50 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1h39 n PRO 360 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h39 n GLY 361 N 0.81 0.10 3.18 -1.23 0.00 -1.17 -4.82 105.19 102.08 1h39 n GLY 361 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1h39 n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h39 n GLY 362 N 0.00 0.58 3.26 -0.02 0.00 -1.25 -2.95 105.19 104.82 1h39 n GLY 362 Ca 0.00 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 1h39 n GLY 362 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h39 s PHE 363 N -2.53 1.40 0.27 1.61 0.40 -1.26 -1.15 117.98 116.72 1h39 s PHE 363 Ca 0.55 -0.65 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 1h39 s PHE 363 Cb -0.03 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1h39 s PHE 363 CO 0.36 0.16 0.18 0.00 0.70 0.00 0.00 175.22 176.62 1h39 s ALA 364 N -2.82 3.56 0.07 5.36 0.00 -1.26 -1.22 121.76 125.45 1h39 s ALA 364 Ca 0.15 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.38 1h39 s ALA 364 Cb -0.01 -1.19 -0.14 0.00 0.00 0.00 0.00 23.12 21.78 1h39 s ALA 364 CO 0.03 0.21 1.63 0.35 0.00 0.00 0.00 175.76 177.98 1h39 h PHE 365 N 1.51 0.09 -3.00 0.00 3.57 -1.90 -3.43 116.94 113.78 1h39 h PHE 365 Ca -0.47 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1h39 h PHE 365 Cb 1.24 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1h39 h PHE 365 CO 0.57 0.18 0.00 0.00 -2.23 0.00 0.00 178.31 176.83 1h39 n GLN 366 N -4.98 1.02 0.25 1.11 0.00 -1.23 -2.74 117.38 110.81 1h39 n GLN 366 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 56.80 1h39 n GLN 366 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.25 1h39 n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1h39 h PHE 367 N -0.28 -0.60 -2.71 2.61 0.04 -1.88 -3.42 116.94 110.70 1h39 h PHE 367 Ca 0.00 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 60.16 1h39 h PHE 367 Cb 0.00 0.20 -0.39 0.00 2.20 0.00 0.00 35.95 37.95 1h39 h PHE 367 CO 0.00 -0.28 -0.82 0.34 -0.60 0.00 0.00 178.31 176.96 1h39 s ASP 368 N -4.80 3.12 -0.41 2.17 2.15 -1.26 -5.00 116.67 112.64 1h39 s ASP 368 Ca -0.14 -2.41 0.04 0.00 0.43 0.00 0.00 52.55 50.47 1h39 s ASP 368 Cb 0.02 -0.63 0.17 0.00 -0.30 0.00 0.00 42.92 42.18 1h39 s ASP 368 CO 0.50 -0.28 0.34 0.21 -0.17 0.00 0.00 175.17 175.76 1h39 s ASN 369 N 0.74 1.48 0.29 -0.34 2.47 -1.26 -3.13 114.94 115.18 1h39 s ASN 369 Ca 0.19 -2.86 0.06 0.00 0.42 0.00 0.00 52.86 50.67 1h39 s ASN 369 Cb -0.22 -0.30 0.42 0.00 -1.45 0.00 0.00 41.25 39.70 1h39 s ASN 369 CO -0.01 -0.19 1.68 -0.37 -3.72 0.00 0.00 177.10 174.49 1h39 h VAL 370 N 4.71 1.32 -0.00 -5.21 -1.51 -1.96 -3.23 116.25 110.37 1h39 h VAL 370 Ca 0.23 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.10 1h39 h VAL 370 Cb 0.93 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 1h39 h VAL 370 CO 0.34 0.48 -0.01 -1.22 -1.23 0.00 0.00 177.57 175.92 1h39 n TYR 371 N -4.00 0.00 -2.90 5.19 4.01 -1.26 -4.30 117.16 113.90 1h39 n TYR 371 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1h39 n TYR 371 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1h39 n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1h39 n TYR 372 N -0.65 0.90 -2.18 -0.72 4.01 -1.22 -2.82 117.16 114.48 1h39 n TYR 372 Ca 0.22 -3.30 -0.34 0.00 -0.16 0.00 0.00 57.90 54.32 1h39 n TYR 372 Cb 0.20 -0.39 0.01 0.00 -0.31 0.00 0.00 39.34 38.84 1h39 n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h39 s PRO 373 N -2.84 3.29 0.12 -0.72 0.04 -1.26 -4.73 135.00 128.90 1h39 s PRO 373 Ca 0.34 1.53 0.10 0.00 0.04 0.00 0.00 61.00 63.01 1h39 s PRO 373 Cb 0.40 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 1h39 s PRO 373 CO -0.03 -0.88 -0.26 0.16 0.04 0.00 0.00 177.00 176.04 1h39 s ASP 374 N -1.99 3.15 0.23 6.66 -4.77 -0.36 -4.73 116.67 114.86 1h39 s ASP 374 Ca 0.71 -0.73 -0.07 0.00 -3.30 0.00 0.00 52.55 49.15 1h39 s ASP 374 Cb -0.22 -0.20 0.29 0.00 -1.09 0.00 0.00 42.92 41.70 1h39 s ASP 374 CO 0.29 0.15 1.83 0.58 0.70 0.00 0.00 175.17 178.73 1h39 h VAL 375 N 3.93 1.01 0.71 2.11 2.07 -1.26 -1.47 116.25 123.35 1h39 h VAL 375 Ca -0.50 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1h39 h VAL 375 Cb 1.17 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1h39 h VAL 375 CO 0.39 0.15 -0.44 -0.78 0.02 0.00 0.00 177.57 176.92 1h39 h ASP 376 N 0.85 -1.09 -0.22 0.57 1.82 -1.85 0.44 116.42 116.93 1h39 h ASP 376 Ca 0.34 0.06 0.05 0.00 -0.39 0.00 0.00 57.03 57.09 1h39 h ASP 376 Cb 0.18 0.32 -0.04 0.00 0.68 0.00 0.00 39.33 40.46 1h39 h ASP 376 CO -0.18 -0.68 -0.07 0.44 -1.61 0.00 0.00 179.24 177.15 1h39 h ASP 377 N -1.08 -0.25 -0.52 2.28 3.32 -1.84 -1.79 116.42 116.54 1h39 h ASP 377 Ca -0.09 0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.12 1h39 h ASP 377 Cb 0.87 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 1h39 h ASP 377 CO 0.10 -0.09 0.13 0.74 -1.72 0.00 0.00 179.24 178.39 1h39 h THR 378 N -0.02 0.73 -0.34 0.35 2.02 -1.14 0.14 112.91 114.65 1h39 h THR 378 Ca 0.11 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1h39 h THR 378 Cb 0.19 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1h39 h THR 378 CO -0.24 0.05 0.18 0.00 0.37 0.00 0.00 175.52 175.87 1h39 h ALA 379 N 1.39 0.44 -0.20 6.16 0.00 -0.50 -0.61 119.26 125.94 1h39 h ALA 379 Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1h39 h ALA 379 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1h39 h ALA 379 CO -0.32 -0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.24 1h39 h VAL 380 N 0.42 1.20 0.70 0.00 2.07 -0.89 -1.58 116.25 118.17 1h39 h VAL 380 Ca 0.12 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1h39 h VAL 380 Cb 0.09 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1h39 h VAL 380 CO -0.02 0.20 -0.34 0.58 0.02 0.00 0.00 177.57 178.02 1h39 h VAL 381 N 0.14 0.31 -0.78 2.57 2.07 -0.89 0.61 116.25 120.27 1h39 h VAL 381 Ca 0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 1h39 h VAL 381 Cb 0.26 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 1h39 h VAL 381 CO 0.00 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.53 1h39 h VAL 382 N -0.94 0.71 -0.48 2.57 2.07 -1.14 0.25 116.25 119.30 1h39 h VAL 382 Ca -0.10 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1h39 h VAL 382 Cb 0.72 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1h39 h VAL 382 CO 0.16 0.10 -0.23 -0.25 0.02 0.00 0.00 177.57 177.36 1h39 h TRP 383 N 0.54 1.14 -0.30 1.57 7.01 -1.06 -1.25 115.95 123.59 1h39 h TRP 383 Ca 0.42 -0.28 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1h39 h TRP 383 Cb 0.60 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1h39 h TRP 383 CO -0.13 1.11 0.19 0.00 -2.79 0.00 0.00 178.44 176.82 1h39 h ALA 384 N 0.88 0.38 -0.47 2.65 0.00 0.21 -2.35 119.26 120.56 1h39 h ALA 384 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1h39 h ALA 384 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1h39 h ALA 384 CO 0.07 -0.16 0.31 -0.07 0.00 0.00 0.00 179.25 179.39 1h39 h LEU 385 N 0.39 0.53 0.00 0.00 3.38 -0.46 -2.01 115.31 117.14 1h39 h LEU 385 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1h39 h LEU 385 Cb -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1h39 h LEU 385 CO -0.03 0.38 0.09 -3.20 0.09 0.00 0.00 178.44 175.77 1h39 n ASN 386 N -4.77 0.00 -0.56 -0.43 5.15 -0.49 0.29 115.26 114.45 1h39 n ASN 386 Ca 0.02 0.28 0.06 0.00 -0.60 0.00 0.00 54.58 54.34 1h39 n ASN 386 Cb 0.03 -0.28 0.16 0.00 -0.53 0.00 0.00 39.78 39.15 1h39 n ASN 386 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1h39 n THR 387 N -1.25 1.42 -4.34 -0.44 -2.24 -0.76 -5.01 114.28 101.66 1h39 n THR 387 Ca 0.00 -1.34 -0.23 0.00 -2.27 0.00 0.00 64.05 60.21 1h39 n THR 387 Cb 0.09 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.45 1h39 n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h39 s LEU 388 N -1.64 2.41 -0.61 3.22 1.43 0.14 -4.64 118.68 118.99 1h39 s LEU 388 Ca 0.25 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1h39 s LEU 388 Cb 0.17 -0.90 0.15 0.00 0.03 0.00 0.00 46.19 45.64 1h39 s LEU 388 CO 0.10 0.01 0.40 -0.13 0.23 0.00 0.00 176.35 176.96 1h39 s ARG 389 N -2.59 2.39 0.48 1.70 0.52 0.59 -4.99 118.95 117.05 1h39 s ARG 389 Ca 0.15 -2.66 -0.09 0.00 -0.52 0.00 0.00 55.73 52.61 1h39 s ARG 389 Cb -0.07 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 1h39 s ARG 389 CO 0.07 -1.16 0.84 -0.51 0.02 0.00 0.00 175.30 174.56 1h39 s LEU 390 N -0.31 3.62 0.13 2.53 1.43 -1.26 -4.50 118.68 120.32 1h39 s LEU 390 Ca 0.18 1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 54.16 1h39 s LEU 390 Cb -0.21 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 1h39 s LEU 390 CO -0.03 -0.57 1.62 -0.65 0.23 0.00 0.00 176.35 176.95 1h39 h PRO 391 N 0.52 -0.39 -4.88 1.29 0.11 -1.98 -3.31 132.00 123.36 1h39 h PRO 391 Ca -0.46 0.03 -0.71 0.00 0.11 0.00 0.00 66.00 64.96 1h39 h PRO 391 Cb 1.19 0.09 -0.18 0.00 0.11 0.00 0.00 31.00 32.21 1h39 h PRO 391 CO 0.62 -0.26 0.95 0.34 -0.21 0.00 0.00 178.00 179.44 1h39 s ASP 392 N -4.90 6.77 0.00 -2.05 2.15 -1.26 -4.83 116.67 112.56 1h39 s ASP 392 Ca -0.15 -2.37 0.06 0.00 0.43 0.00 0.00 52.55 50.52 1h39 s ASP 392 Cb 0.10 -2.39 0.28 0.00 -0.30 0.00 0.00 42.92 40.61 1h39 s ASP 392 CO 0.66 -0.94 1.14 -0.62 -0.17 0.00 0.00 175.17 175.24 1h39 n GLU 393 N 6.13 0.04 -0.05 4.34 -0.58 -1.25 -2.58 120.64 126.69 1h39 n GLU 393 Ca 0.27 0.33 -0.14 0.00 -0.42 0.00 0.00 57.16 57.20 1h39 n GLU 393 Cb 0.47 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.72 1h39 n GLU 393 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1h39 h ARG 394 N 0.00 0.04 -0.06 3.49 9.65 -1.93 -2.56 114.38 123.01 1h39 h ARG 394 Ca 0.00 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.66 1h39 h ARG 394 Cb 0.09 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1h39 h ARG 394 CO 0.00 0.88 -0.73 -0.09 2.80 0.00 0.00 179.97 182.83 1h39 h ARG 395 N -0.78 0.31 0.09 0.20 2.43 -1.92 -0.75 114.38 113.96 1h39 h ARG 395 Ca -0.01 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1h39 h ARG 395 Cb 0.90 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1h39 h ARG 395 CO 0.01 0.91 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.25 1h39 h ARG 396 N 0.21 -0.11 -0.51 0.20 2.43 -1.63 0.70 114.38 115.66 1h39 h ARG 396 Ca -0.03 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1h39 h ARG 396 Cb 1.30 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 1h39 h ARG 396 CO 0.12 0.13 0.29 -0.09 -1.51 0.00 0.00 179.97 178.92 1h39 h ARG 397 N -0.35 0.57 0.52 0.20 9.65 -1.45 -1.68 114.38 121.83 1h39 h ARG 397 Ca -0.01 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1h39 h ARG 397 Cb 0.30 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1h39 h ARG 397 CO 0.02 0.38 -0.25 0.22 2.80 0.00 0.00 179.97 183.14 1h39 h ASP 398 N 0.59 -0.59 -0.37 -3.80 3.58 -0.96 -2.89 116.42 111.98 1h39 h ASP 398 Ca 0.21 -0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.67 1h39 h ASP 398 Cb 0.04 0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.16 1h39 h ASP 398 CO -0.10 -0.24 -0.27 0.00 -2.88 0.00 0.00 179.24 175.75 1h39 h ALA 399 N -0.71 -0.08 -0.77 -0.78 0.00 0.47 -0.55 119.26 116.83 1h39 h ALA 399 Ca -0.07 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1h39 h ALA 399 Cb 0.62 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1h39 h ALA 399 CO 0.12 -0.66 0.33 0.52 0.00 0.00 0.00 179.25 179.55 1h39 h MET 400 N -0.22 0.46 -0.49 0.00 2.86 -1.37 -1.02 114.93 115.15 1h39 h MET 400 Ca 0.18 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1h39 h MET 400 Cb 0.50 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1h39 h MET 400 CO -0.50 0.30 0.21 1.15 1.06 0.00 0.00 176.91 179.14 1h39 h THR 401 N 0.47 1.21 -0.40 2.22 2.02 -0.92 0.41 112.91 117.92 1h39 h THR 401 Ca 0.43 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1h39 h THR 401 Cb 0.65 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1h39 h THR 401 CO -0.40 0.24 0.18 0.11 0.37 0.00 0.00 175.52 176.02 1h39 h LYS 402 N 0.65 0.58 -0.15 6.66 1.57 -0.27 -1.93 116.57 123.68 1h39 h LYS 402 Ca 0.17 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1h39 h LYS 402 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1h39 h LYS 402 CO -0.02 0.52 0.06 0.78 -0.57 0.00 0.00 179.45 180.22 1h39 h GLY 403 N 0.50 0.25 0.09 3.86 0.00 -1.08 -2.20 103.07 104.49 1h39 h GLY 403 Ca 0.14 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1h39 h GLY 403 CO -0.02 0.13 -0.41 -2.75 0.00 0.00 0.00 176.54 173.50 1h39 h PHE 404 N 0.08 -1.17 0.00 5.60 3.04 -0.76 0.23 116.94 123.95 1h39 h PHE 404 Ca 0.05 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1h39 h PHE 404 Cb 0.19 0.52 -0.00 0.00 2.56 0.00 0.00 35.95 39.23 1h39 h PHE 404 CO -0.01 -0.48 -0.07 0.00 -2.02 0.00 0.00 178.31 175.74 1h39 h ARG 405 N -0.52 0.00 -0.19 1.11 3.08 -1.36 -1.20 114.38 115.30 1h39 h ARG 405 Ca 0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1h39 h ARG 405 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1h39 h ARG 405 CO -0.35 0.07 -0.24 2.35 -1.07 0.00 0.00 179.97 180.72 1h39 h TRP 406 N 0.00 0.61 -0.33 3.04 7.01 -0.56 -2.05 115.95 123.67 1h39 h TRP 406 Ca -0.00 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 60.80 1h39 h TRP 406 Cb 0.13 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 1h39 h TRP 406 CO 0.00 0.88 0.21 0.82 -2.79 0.00 0.00 178.44 177.56 1h39 h ILE 407 N 0.15 1.10 -0.75 2.65 2.04 -0.38 -2.49 117.51 119.84 1h39 h ILE 407 Ca 0.02 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.75 1h39 h ILE 407 Cb 0.81 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1h39 h ILE 407 CO 0.06 0.10 0.41 0.58 0.00 0.00 0.00 178.15 179.30 1h39 h VAL 408 N 0.43 0.93 0.00 1.67 2.07 -1.21 -0.47 116.25 119.67 1h39 h VAL 408 Ca 0.12 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1h39 h VAL 408 Cb -0.02 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1h39 h VAL 408 CO -0.02 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1h39 n GLY 409 N -1.30 -0.90 0.03 2.17 0.00 -0.77 -2.93 105.19 101.48 1h39 n GLY 409 Ca 0.11 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1h39 n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h39 n MET 410 N -1.12 0.40 -1.67 1.61 2.00 -0.20 -4.95 117.12 113.20 1h39 n MET 410 Ca 0.16 -0.06 -0.50 0.00 0.00 0.00 0.00 57.70 57.29 1h39 n MET 410 Cb 0.13 -1.57 -0.05 0.00 0.00 0.00 0.00 33.22 31.72 1h39 n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1h39 n GLN 411 N -2.06 1.76 -1.01 0.03 7.27 -1.15 -4.56 117.38 117.66 1h39 n GLN 411 Ca -0.00 0.64 -0.21 0.00 0.07 0.00 0.00 57.00 57.51 1h39 n GLN 411 Cb 0.48 -2.39 0.16 0.00 2.41 0.00 0.00 30.24 30.89 1h39 n GLN 411 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1h39 n SER 412 N 4.74 -0.88 0.10 1.69 7.64 0.03 -4.91 113.62 122.03 1h39 n SER 412 Ca 0.21 -1.14 -0.12 0.00 1.01 0.00 0.00 58.87 58.83 1h39 n SER 412 Cb 0.24 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 1h39 n SER 412 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1h39 h SER 413 N -1.73 -0.62 0.00 6.43 0.02 -1.93 -2.51 113.55 113.22 1h39 h SER 413 Ca -0.29 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1h39 h SER 413 Cb 0.85 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1h39 h SER 413 CO 0.20 -0.30 0.00 -0.46 -1.14 0.00 0.00 176.83 175.13 1h39 n ASN 414 N -5.34 0.00 0.00 3.07 0.23 -1.26 -4.76 115.26 107.19 1h39 n ASN 414 Ca -0.06 -0.55 0.00 0.00 -0.53 0.00 0.00 54.58 53.44 1h39 n ASN 414 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 1h39 n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1h39 n GLY 415 N -0.21 0.76 4.01 4.83 0.00 -0.94 -4.46 105.19 109.18 1h39 n GLY 415 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1h39 n GLY 415 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h39 s GLY 416 N -1.97 1.82 -0.09 -0.02 0.00 -1.26 -3.63 107.32 102.17 1h39 s GLY 416 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 42.91 1h39 s GLY 416 CO 0.00 -1.47 -0.16 -0.98 0.00 0.00 0.00 173.10 170.49 1h39 s TRP 417 N -2.64 1.93 0.00 1.90 0.51 -1.26 -0.79 118.94 118.58 1h39 s TRP 417 Ca 0.60 -0.80 0.00 0.00 -2.12 0.00 0.00 56.10 53.77 1h39 s TRP 417 Cb -0.08 -1.36 0.00 0.00 -0.81 0.00 0.00 33.47 31.22 1h39 s TRP 417 CO 0.38 -0.38 0.00 0.41 -0.51 0.00 0.00 176.95 176.85 1h39 n GLY 418 N 3.85 -0.30 0.14 0.98 0.00 -1.26 -1.62 105.19 106.99 1h39 n GLY 418 Ca -0.21 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 1h39 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h39 n ALA 419 N -3.00 1.43 -0.00 4.61 0.00 -1.26 -4.60 120.51 117.69 1h39 n ALA 419 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 53.44 52.40 1h39 n ALA 419 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 1h39 n ALA 419 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h39 n TYR 420 N -3.51 0.00 -4.40 0.00 4.01 -1.26 -0.89 117.16 111.12 1h39 n TYR 420 Ca -0.46 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.09 1h39 n TYR 420 Cb 0.93 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.85 1h39 n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h39 s ASP 421 N -3.08 2.13 -0.19 7.72 1.01 -1.26 -4.69 116.67 118.31 1h39 s ASP 421 Ca -0.00 -1.30 -0.09 0.00 0.71 0.00 0.00 52.55 51.86 1h39 s ASP 421 Cb 0.00 -0.04 -0.05 0.00 1.01 0.00 0.00 42.92 43.84 1h39 s ASP 421 CO 0.00 -0.55 0.13 -0.69 0.21 0.00 0.00 175.17 174.26 1h39 s VAL 422 N -3.34 5.37 -1.23 -1.27 1.01 -1.26 -4.32 120.40 115.36 1h39 s VAL 422 Ca 0.33 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1h39 s VAL 422 Cb 0.07 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1h39 s VAL 422 CO 0.13 0.47 0.40 0.47 0.00 0.00 0.00 175.10 176.57 1h39 n ASP 423 N 3.29 -3.84 -3.69 3.32 8.00 -1.26 -4.81 116.55 117.56 1h39 n ASP 423 Ca -0.17 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.65 1h39 n ASP 423 Cb 0.52 -3.19 -0.00 0.00 -0.02 0.00 0.00 41.12 38.43 1h39 n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h39 n ASN 424 N -2.20 4.87 -0.45 -2.24 2.85 -1.26 -4.47 115.26 112.35 1h39 n ASN 424 Ca -0.04 -2.87 0.08 0.00 -0.11 0.00 0.00 54.58 51.64 1h39 n ASN 424 Cb 0.56 -1.60 0.18 0.00 1.24 0.00 0.00 39.78 40.16 1h39 n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h39 n THR 425 N 4.45 1.93 -0.77 -0.44 -2.24 -1.26 -2.63 114.28 113.32 1h39 n THR 425 Ca 0.53 -1.92 -0.33 0.00 -2.27 0.00 0.00 64.05 60.07 1h39 n THR 425 Cb 0.36 -0.14 0.13 0.00 -2.10 0.00 0.00 70.33 68.58 1h39 n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1h39 n SER 426 N -0.84 -1.73 -0.01 3.42 2.88 -1.26 -4.95 113.62 111.14 1h39 n SER 426 Ca 0.17 0.31 0.01 0.00 -1.33 0.00 0.00 58.87 58.03 1h39 n SER 426 Cb 0.70 -1.24 -0.03 0.00 -0.75 0.00 0.00 64.21 62.90 1h39 n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h39 n ASP 427 N -1.84 4.13 -0.21 -3.46 2.03 -1.26 -4.76 116.55 111.18 1h39 n ASP 427 Ca 0.07 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.36 1h39 n ASP 427 Cb 0.54 0.97 0.05 0.00 -0.72 0.00 0.00 41.12 41.95 1h39 n ASP 427 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1h39 h LEU 428 N 0.00 -0.83 -1.35 -2.67 -0.00 -1.95 -1.95 115.31 106.56 1h39 h LEU 428 Ca -0.03 0.21 0.17 0.00 -0.00 0.00 0.00 57.88 58.22 1h39 h LEU 428 Cb 0.54 0.48 -0.07 0.00 -0.00 0.00 0.00 40.66 41.61 1h39 h LEU 428 CO 0.00 -0.26 0.58 1.55 -0.00 0.00 0.00 178.44 180.31 1h39 h PRO 429 N -0.07 0.57 0.00 1.13 0.13 -1.89 -2.23 132.00 129.64 1h39 h PRO 429 Ca 0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1h39 h PRO 429 Cb 0.52 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1h39 h PRO 429 CO -0.68 0.38 0.00 0.09 -0.23 0.00 0.00 178.00 177.56 1h39 n ASN 430 N -4.56 0.00 0.00 1.44 3.02 -0.73 -2.48 115.26 111.95 1h39 n ASN 430 Ca 0.18 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1h39 n ASN 430 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1h39 n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1h39 n HIS 431 N -0.67 0.00 -2.08 3.10 8.25 -0.84 -1.29 115.22 121.69 1h39 n HIS 431 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 1h39 n HIS 431 Cb 0.01 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 1h39 n HIS 431 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1h39 s ILE 432 N -0.43 2.70 0.50 1.59 -1.09 -1.03 -4.49 121.20 118.95 1h39 s ILE 432 Ca 0.00 0.59 0.17 0.00 -2.23 0.00 0.00 60.65 59.18 1h39 s ILE 432 Cb 0.00 -3.33 0.30 0.00 -1.58 0.00 0.00 42.46 37.85 1h39 s ILE 432 CO 0.00 0.06 2.08 -0.65 -1.23 0.00 0.00 174.94 175.20 1h39 h PRO 433 N 2.43 0.12 -0.24 2.79 0.11 -1.92 -2.55 132.00 132.76 1h39 h PRO 433 Ca -0.50 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1h39 h PRO 433 Cb 1.25 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1h39 h PRO 433 CO 0.62 0.08 -0.53 0.35 -0.21 0.00 0.00 178.00 178.31 1h39 h PHE 434 N 0.13 0.85 -1.39 0.65 3.57 -1.91 -3.40 116.94 115.44 1h39 h PHE 434 Ca 0.11 -0.30 -0.68 0.00 3.53 0.00 0.00 57.97 60.63 1h39 h PHE 434 Cb 0.28 -0.16 -0.12 0.00 2.79 0.00 0.00 35.95 38.74 1h39 h PHE 434 CO -0.00 1.06 1.74 0.00 -2.23 0.00 0.00 178.31 178.88 1h39 n ASP 436 N 7.59 2.18 -3.72 0.00 5.75 -1.26 -2.16 116.55 124.92 1h39 n ASP 436 Ca 0.41 -2.99 -0.14 0.00 -0.01 0.00 0.00 54.79 52.06 1h39 n ASP 436 Cb 0.46 -0.40 -0.14 0.00 -1.03 0.00 0.00 41.12 40.01 1h39 n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1h39 s PHE 437 N -2.64 -0.23 0.00 2.11 5.36 -1.26 -4.87 117.98 116.45 1h39 s PHE 437 Ca 0.29 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 1h39 s PHE 437 Cb 0.25 -0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1h39 s PHE 437 CO 0.03 -0.22 0.00 0.41 -1.46 0.00 0.00 175.22 173.98 1h39 n GLY 438 N 4.57 -0.11 3.89 13.12 0.00 -1.26 -4.82 105.19 120.58 1h39 n GLY 438 Ca -0.20 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1h39 n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h39 s GLU 439 N 0.00 3.70 0.00 1.61 0.41 -1.26 -4.98 118.70 118.18 1h39 s GLU 439 Ca 0.00 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 1h39 s GLU 439 Cb 0.00 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 1h39 s GLU 439 CO 0.00 0.05 0.19 0.28 -0.49 0.00 0.00 175.26 175.29 1h39 n VAL 440 N -1.23 0.00 -4.18 2.63 0.31 -1.26 -4.88 118.33 109.72 1h39 n VAL 440 Ca 0.01 -0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 63.88 1h39 n VAL 440 Cb 0.54 1.22 -0.11 0.00 -0.91 0.00 0.00 33.84 34.58 1h39 n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1h39 s THR 441 N -0.26 0.95 -0.72 2.52 -4.23 -1.26 -0.12 115.64 112.53 1h39 s THR 441 Ca 0.00 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 1h39 s THR 441 Cb 0.00 -1.40 0.25 0.00 1.34 0.00 0.00 72.50 72.69 1h39 s THR 441 CO 0.00 -0.58 0.82 -0.67 -0.54 0.00 0.00 174.62 173.65 1h39 n ASP 442 N 0.49 4.07 -4.85 3.99 2.03 -1.08 -4.76 116.55 116.45 1h39 n ASP 442 Ca -0.16 -3.41 -0.31 0.00 0.52 0.00 0.00 54.79 51.44 1h39 n ASP 442 Cb 0.58 -0.77 0.03 0.00 -0.72 0.00 0.00 41.12 40.24 1h39 n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h39 s PRO 443 N -2.39 3.26 0.52 -0.67 0.04 -1.12 -4.15 135.00 130.50 1h39 s PRO 443 Ca 0.37 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 61.99 1h39 s PRO 443 Cb 0.11 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1h39 s PRO 443 CO -0.02 -0.83 1.39 -2.14 0.04 0.00 0.00 177.00 175.45 1h39 s PRO 444 N -5.14 3.27 0.16 0.56 0.02 -1.26 -4.56 135.00 128.06 1h39 s PRO 444 Ca 0.56 2.32 0.07 0.00 0.02 0.00 0.00 61.00 63.97 1h39 s PRO 444 Cb -0.12 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1h39 s PRO 444 CO 0.54 -1.11 -0.15 -1.54 -0.33 0.00 0.00 177.00 174.41 1h39 s SER 445 N -0.79 2.38 0.16 2.53 1.04 -0.64 -4.86 113.70 113.53 1h39 s SER 445 Ca 0.69 -0.90 -0.13 0.00 0.48 0.00 0.00 55.95 56.09 1h39 s SER 445 Cb -0.42 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.64 1h39 s SER 445 CO 0.51 -0.12 1.72 -0.33 0.98 0.00 0.00 173.24 176.00 1h39 h GLU 446 N 3.13 0.79 -0.14 4.02 3.07 -1.88 -2.58 114.58 120.98 1h39 h GLU 446 Ca -0.40 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.31 1h39 h GLU 446 Cb 1.21 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1h39 h GLU 446 CO 0.54 0.68 0.01 0.38 -1.40 0.00 0.00 179.01 179.22 1h39 h ASP 447 N 0.72 0.24 -0.34 1.42 2.03 -1.90 0.04 116.42 118.63 1h39 h ASP 447 Ca 0.18 -0.29 0.02 0.00 -0.73 0.00 0.00 57.03 56.21 1h39 h ASP 447 Cb 0.17 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.58 1h39 h ASP 447 CO -0.02 0.47 0.17 0.58 -1.03 0.00 0.00 179.24 179.41 1h39 h VAL 448 N 0.00 0.98 -0.47 4.15 2.07 -1.85 -2.06 116.25 119.08 1h39 h VAL 448 Ca 0.04 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1h39 h VAL 448 Cb 0.34 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1h39 h VAL 448 CO 0.01 0.06 0.21 0.74 0.02 0.00 0.00 177.57 178.61 1h39 h THR 449 N 0.34 0.93 -0.34 2.57 2.02 -1.36 -2.05 112.91 115.02 1h39 h THR 449 Ca 0.14 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1h39 h THR 449 Cb 0.05 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1h39 h THR 449 CO -0.10 0.08 0.02 0.00 0.37 0.00 0.00 175.52 175.89 1h39 h ALA 450 N 1.27 0.33 -0.95 6.16 0.00 -0.48 -1.20 119.26 124.38 1h39 h ALA 450 Ca 0.21 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1h39 h ALA 450 Cb 0.15 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1h39 h ALA 450 CO -0.17 -0.38 0.62 0.45 0.00 0.00 0.00 179.25 179.77 1h39 h HIS 451 N 0.13 1.16 0.30 0.00 3.86 -0.99 0.96 115.15 120.56 1h39 h HIS 451 Ca 0.16 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1h39 h HIS 451 Cb 0.21 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1h39 h HIS 451 CO -0.22 0.67 -0.14 0.28 0.86 0.00 0.00 177.93 179.38 1h39 h VAL 452 N 1.20 0.72 -0.20 2.45 2.07 -0.59 -0.58 116.25 121.31 1h39 h VAL 452 Ca 0.38 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.76 1h39 h VAL 452 Cb 0.01 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1h39 h VAL 452 CO -0.12 0.03 0.07 -0.07 0.02 0.00 0.00 177.57 177.50 1h39 h LEU 453 N -0.48 0.08 -1.63 2.57 4.07 -0.91 0.11 115.31 119.11 1h39 h LEU 453 Ca -0.04 0.02 0.24 0.00 0.08 0.00 0.00 57.88 58.18 1h39 h LEU 453 Cb 0.36 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.05 1h39 h LEU 453 CO 0.07 0.07 0.64 -0.08 -1.08 0.00 0.00 178.44 178.06 1h39 h GLU 454 N 0.16 0.27 0.11 1.13 4.57 -0.69 0.34 114.58 120.47 1h39 h GLU 454 Ca 0.09 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1h39 h GLU 454 Cb 0.05 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1h39 h GLU 454 CO -0.09 0.18 -0.05 0.00 -1.18 0.00 0.00 179.01 177.87 1h39 h PHE 456 N -0.80 1.09 -0.80 0.00 0.04 0.28 -1.53 116.94 115.22 1h39 h PHE 456 Ca -0.01 0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.94 1h39 h PHE 456 Cb 0.57 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 1h39 h PHE 456 CO 0.11 0.56 0.53 0.78 -0.60 0.00 0.00 178.31 179.69 1h39 h GLY 457 N 1.07 0.78 1.19 -1.45 0.00 -0.42 0.60 103.07 104.84 1h39 h GLY 457 Ca 0.40 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1h39 h GLY 457 CO -0.17 0.05 0.52 1.48 0.00 0.00 0.00 176.54 178.43 1h39 h SER 458 N 0.44 0.89 1.29 0.19 4.64 -1.18 0.39 113.55 120.21 1h39 h SER 458 Ca 0.40 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 1h39 h SER 458 Cb 0.90 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1h39 h SER 458 CO -0.14 0.64 -0.25 -0.26 -0.87 0.00 0.00 176.83 175.95 1h39 h PHE 459 N 1.05 0.00 0.00 4.77 0.04 -0.96 -3.47 116.94 118.37 1h39 h PHE 459 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1h39 h PHE 459 Cb -0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1h39 h PHE 459 CO -0.00 0.25 0.00 0.41 -0.60 0.00 0.00 178.31 178.37 1h39 n GLY 460 N 0.63 1.36 3.47 -1.45 0.00 0.13 -5.06 105.19 104.26 1h39 n GLY 460 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1h39 n GLY 460 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h39 n TYR 461 N -0.07 1.06 -1.48 1.61 4.02 -1.20 -4.88 117.16 116.22 1h39 n TYR 461 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 1h39 n TYR 461 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 39.34 36.86 1h39 n TYR 461 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1h39 n ASP 462 N 11.25 0.00 0.27 7.72 5.75 -1.26 -4.25 116.55 136.04 1h39 n ASP 462 Ca 0.53 -0.65 0.19 0.00 -0.01 0.00 0.00 54.79 54.84 1h39 n ASP 462 Cb 0.18 0.00 0.93 0.00 -1.03 0.00 0.00 41.12 41.20 1h39 n ASP 462 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1h39 h ASP 463 N 0.00 0.00 -0.81 -1.12 3.58 -1.82 -2.76 116.42 113.49 1h39 h ASP 463 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1h39 h ASP 463 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1h39 h ASP 463 CO 0.00 0.00 0.52 0.00 -2.88 0.00 0.00 179.24 176.88 1h39 h ALA 464 N 2.02 1.37 -2.50 -0.78 0.00 -1.92 -3.37 119.26 114.08 1h39 h ALA 464 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 1h39 h ALA 464 Cb 0.13 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.61 1h39 h ALA 464 CO 0.00 0.56 0.77 -0.46 0.00 0.00 0.00 179.25 180.12 1h39 s TRP 465 N -5.87 3.10 0.22 0.00 -0.00 -1.04 -4.93 118.94 110.42 1h39 s TRP 465 Ca -0.12 0.87 -0.08 0.00 -0.00 0.00 0.00 56.10 56.78 1h39 s TRP 465 Cb 0.18 -3.70 0.36 0.00 -0.00 0.00 0.00 33.47 30.30 1h39 s TRP 465 CO 0.80 -2.52 1.71 -0.22 -0.00 0.00 0.00 176.95 176.71 1h39 h LYS 466 N 7.14 0.31 -0.79 5.86 3.64 -1.89 -1.96 116.57 128.86 1h39 h LYS 466 Ca -0.41 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1h39 h LYS 466 Cb 1.20 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.87 1h39 h LYS 466 CO 0.88 0.20 0.40 0.28 -2.27 0.00 0.00 179.45 178.94 1h39 h VAL 467 N 0.32 0.78 -0.18 2.00 2.07 -1.94 0.28 116.25 119.58 1h39 h VAL 467 Ca 0.36 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1h39 h VAL 467 Cb 0.54 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1h39 h VAL 467 CO -0.42 0.11 0.03 0.40 0.02 0.00 0.00 177.57 177.72 1h39 h ILE 468 N 0.62 1.22 -0.24 4.57 1.08 -1.66 -2.34 117.51 120.76 1h39 h ILE 468 Ca 0.41 -0.72 0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1h39 h ILE 468 Cb 0.51 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.57 1h39 h ILE 468 CO -0.32 0.22 0.00 -0.09 -0.69 0.00 0.00 178.15 177.27 1h39 h ARG 469 N 0.10 0.07 -0.51 2.37 2.43 -0.58 0.32 114.38 118.58 1h39 h ARG 469 Ca 0.06 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1h39 h ARG 469 Cb 0.31 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1h39 h ARG 469 CO 0.00 0.05 0.35 0.00 -1.51 0.00 0.00 179.97 178.86 1h39 h ARG 470 N 0.08 0.38 0.03 0.20 3.08 -0.44 0.05 114.38 117.75 1h39 h ARG 470 Ca 0.11 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1h39 h ARG 470 Cb 0.15 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1h39 h ARG 470 CO -0.19 0.25 -0.38 0.00 -1.07 0.00 0.00 179.97 178.58 1h39 h ALA 471 N 1.73 0.01 -0.11 0.04 0.00 -0.69 -2.72 119.26 117.52 1h39 h ALA 471 Ca 0.23 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1h39 h ALA 471 Cb 0.40 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1h39 h ALA 471 CO -0.06 0.17 -0.05 0.28 0.00 0.00 0.00 179.25 179.59 1h39 h VAL 472 N -0.48 0.84 -0.95 0.00 2.07 0.08 -0.33 116.25 117.46 1h39 h VAL 472 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.61 1h39 h VAL 472 Cb 1.17 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.69 1h39 h VAL 472 CO 0.07 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 177.90 1h39 h GLU 473 N -0.04 0.80 0.47 1.57 4.39 -1.10 0.19 114.58 120.86 1h39 h GLU 473 Ca 0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1h39 h GLU 473 Cb 0.13 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1h39 h GLU 473 CO -0.14 0.53 -0.47 -0.92 -1.16 0.00 0.00 179.01 176.85 1h39 h TYR 474 N 0.82 -1.29 -0.05 4.33 3.20 -0.78 -1.53 116.97 121.67 1h39 h TYR 474 Ca 0.51 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.42 1h39 h TYR 474 Cb 0.64 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 1h39 h TYR 474 CO -0.03 -0.64 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.58 1h39 h LEU 475 N -0.95 -0.61 -1.26 2.82 3.38 -0.17 -1.81 115.31 116.70 1h39 h LEU 475 Ca -0.05 0.09 0.28 0.00 0.09 0.00 0.00 57.88 58.29 1h39 h LEU 475 Cb 0.83 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1h39 h LEU 475 CO -0.06 -0.27 0.66 0.11 0.09 0.00 0.00 178.44 178.98 1h39 h LYS 476 N -0.30 0.39 0.00 1.13 1.57 -0.47 0.45 116.57 119.34 1h39 h LYS 476 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1h39 h LYS 476 Cb 0.40 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1h39 h LYS 476 CO -0.22 0.26 -0.06 0.00 -0.57 0.00 0.00 179.45 178.86 1h39 h ARG 477 N 0.40 0.00 0.00 3.15 3.08 -0.46 -3.31 114.38 117.25 1h39 h ARG 477 Ca 0.64 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.42 1h39 h ARG 477 Cb 1.56 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.56 1h39 h ARG 477 CO -0.37 0.06 -1.68 0.39 -1.07 0.00 0.00 179.97 177.29 1h39 n GLU 478 N -3.12 0.63 -1.46 0.04 -0.58 0.15 -4.96 120.64 111.34 1h39 n GLU 478 Ca 0.03 0.27 -0.55 0.00 -0.42 0.00 0.00 57.16 56.49 1h39 n GLU 478 Cb 0.52 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 1h39 n GLU 478 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1h39 n GLN 479 N -3.00 0.00 -1.61 3.49 7.27 -0.38 -4.90 117.38 118.25 1h39 n GLN 479 Ca -0.16 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.60 1h39 n GLN 479 Cb 1.01 -1.34 0.05 0.00 2.41 0.00 0.00 30.24 32.38 1h39 n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h39 s LYS 480 N -0.32 2.87 0.30 3.69 -0.14 0.11 -4.90 119.74 121.37 1h39 s LYS 480 Ca 0.82 1.07 0.06 0.00 -1.36 0.00 0.00 55.97 56.56 1h39 s LYS 480 Cb -1.16 -1.98 0.82 0.00 -1.68 0.00 0.00 37.83 33.84 1h39 s LYS 480 CO 0.56 -1.16 1.67 -1.35 -0.76 0.00 0.00 175.35 174.32 1h39 h PRO 481 N -0.54 0.31 -0.01 -1.68 0.11 -1.91 0.35 132.00 128.64 1h39 h PRO 481 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1h39 h PRO 481 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1h39 h PRO 481 CO 0.56 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1h39 n ASP 482 N -5.11 0.06 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.10 1h39 n ASP 482 Ca 0.25 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1h39 n ASP 482 Cb 0.76 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1h39 n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h39 n GLY 483 N 0.56 0.46 3.99 6.12 0.00 0.12 -4.73 105.19 111.72 1h39 n GLY 483 Ca 0.03 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1h39 n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h39 s SER 484 N -2.35 5.68 -0.08 1.61 1.04 -1.24 -4.09 113.70 114.28 1h39 s SER 484 Ca 0.00 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1h39 s SER 484 Cb 0.00 -0.99 0.02 0.00 0.10 0.00 0.00 66.02 65.15 1h39 s SER 484 CO 0.00 -0.75 -0.11 0.26 0.98 0.00 0.00 173.24 173.62 1h39 s TRP 485 N -2.43 1.43 0.58 5.02 0.51 -1.26 0.08 118.94 122.88 1h39 s TRP 485 Ca 0.52 -0.58 -0.19 0.00 -2.12 0.00 0.00 56.10 53.72 1h39 s TRP 485 Cb -0.10 -1.10 -0.06 0.00 -0.81 0.00 0.00 33.47 31.40 1h39 s TRP 485 CO 0.34 -0.34 0.91 0.34 -0.51 0.00 0.00 176.95 177.69 1h39 n PHE 486 N 4.15 0.67 -3.78 -1.98 7.35 -1.26 -3.34 117.46 119.28 1h39 n PHE 486 Ca -0.20 0.45 -0.36 0.00 -0.76 0.00 0.00 57.45 56.57 1h39 n PHE 486 Cb 0.51 -2.13 -0.12 0.00 0.35 0.00 0.00 39.48 38.10 1h39 n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1h39 s GLY 487 N -1.18 1.95 -0.05 7.13 0.00 -1.03 -4.33 107.32 109.81 1h39 s GLY 487 Ca 0.73 -2.37 -0.22 0.00 0.00 0.00 0.00 44.72 42.86 1h39 s GLY 487 CO 0.49 0.97 0.92 -0.09 0.00 0.00 0.00 173.10 175.39 1h39 h ARG 488 N 8.08 -0.17 -0.53 2.90 9.65 -1.94 -3.35 114.38 129.02 1h39 h ARG 488 Ca -0.15 0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.57 1h39 h ARG 488 Cb 1.05 0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 29.57 1h39 h ARG 488 CO 0.68 0.30 0.14 0.91 2.80 0.00 0.00 179.97 184.79 1h39 n TRP 489 N -4.90 1.75 -3.64 2.20 7.02 -1.26 -4.64 117.44 113.97 1h39 n TRP 489 Ca -0.08 -1.24 -0.06 0.00 -1.02 0.00 0.00 57.50 55.10 1h39 n TRP 489 Cb 0.27 -0.55 -0.07 0.00 -2.42 0.00 0.00 31.31 28.54 1h39 n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1h39 s GLY 490 N -1.66 -0.25 -0.58 6.99 0.00 -1.26 -3.45 107.32 107.12 1h39 s GLY 490 Ca 0.49 2.76 -0.28 0.00 0.00 0.00 0.00 44.72 47.69 1h39 s GLY 490 CO 0.09 2.31 1.49 0.14 0.00 0.00 0.00 173.10 177.12 1h39 s VAL 491 N 1.09 3.69 0.00 1.40 1.01 -0.01 -4.39 120.40 123.19 1h39 s VAL 491 Ca -0.06 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1h39 s VAL 491 Cb -0.04 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1h39 s VAL 491 CO -0.13 -1.17 0.00 -3.20 0.00 0.00 0.00 175.10 170.60 1h39 n ASN 492 N 10.10 0.00 0.12 3.32 2.85 -1.26 -4.43 115.26 125.96 1h39 n ASN 492 Ca 0.13 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.58 1h39 n ASN 492 Cb 0.49 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.67 1h39 n ASN 492 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1h39 h TYR 493 N 0.00 0.11 -0.36 1.20 0.05 -1.83 0.19 116.97 116.33 1h39 h TYR 493 Ca 0.00 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 1h39 h TYR 493 Cb 0.00 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1h39 h TYR 493 CO 0.00 0.67 -0.34 -0.07 -1.05 0.00 0.00 178.16 177.37 1h39 h LEU 494 N 0.06 0.84 0.29 3.88 3.38 -1.86 -0.38 115.31 121.53 1h39 h LEU 494 Ca -0.01 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1h39 h LEU 494 Cb 1.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1h39 h LEU 494 CO 0.08 1.10 -0.14 0.22 0.09 0.00 0.00 178.44 179.79 1h39 h TYR 495 N 0.67 -0.37 0.78 1.13 3.20 -1.70 -2.26 116.97 118.43 1h39 h TYR 495 Ca 0.07 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1h39 h TYR 495 Cb 0.89 0.12 0.01 0.00 1.54 0.00 0.00 36.73 39.29 1h39 h TYR 495 CO 0.05 -0.04 -0.37 0.78 -1.64 0.00 0.00 178.16 176.94 1h39 h GLY 496 N -0.73 -1.09 0.16 1.82 0.00 -0.96 -2.20 103.07 100.07 1h39 h GLY 496 Ca -0.04 0.40 0.14 0.00 0.00 0.00 0.00 47.33 47.83 1h39 h GLY 496 CO 0.07 -0.40 0.27 -0.84 0.00 0.00 0.00 176.54 175.64 1h39 h THR 497 N -1.07 0.66 -0.28 4.70 2.02 -1.06 0.91 112.91 118.78 1h39 h THR 497 Ca -0.11 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 66.96 1h39 h THR 497 Cb 0.80 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1h39 h THR 497 CO 0.18 0.08 0.11 1.23 0.37 0.00 0.00 175.52 177.48 1h39 h GLY 498 N 0.42 0.36 0.86 2.16 0.00 -1.33 -0.78 103.07 104.76 1h39 h GLY 498 Ca 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1h39 h GLY 498 CO -0.40 0.04 -0.19 0.00 0.00 0.00 0.00 176.54 175.99 1h39 h ALA 499 N 1.17 -0.45 0.66 3.60 0.00 -0.45 -1.57 119.26 122.22 1h39 h ALA 499 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1h39 h ALA 499 Cb 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1h39 h ALA 499 CO -0.12 -0.77 -0.45 0.28 0.00 0.00 0.00 179.25 178.20 1h39 h VAL 500 N -0.47 0.00 -0.72 0.00 2.07 -0.70 0.44 116.25 116.88 1h39 h VAL 500 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1h39 h VAL 500 Cb 0.40 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 1h39 h VAL 500 CO 0.01 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.49 1h39 h VAL 501 N -1.05 0.74 -0.75 2.57 2.07 -1.21 0.35 116.25 118.97 1h39 h VAL 501 Ca -0.09 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1h39 h VAL 501 Cb 0.85 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1h39 h VAL 501 CO 0.06 0.09 0.49 -1.28 0.02 0.00 0.00 177.57 176.96 1h39 h SER 502 N 0.50 0.85 0.27 0.57 0.87 -1.11 -1.88 113.55 113.60 1h39 h SER 502 Ca 0.37 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1h39 h SER 502 Cb 0.49 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1h39 h SER 502 CO -0.34 0.61 -0.13 0.00 -0.53 0.00 0.00 176.83 176.44 1h39 h ALA 503 N 1.28 -0.36 -0.85 6.23 0.00 0.95 -2.80 119.26 123.72 1h39 h ALA 503 Ca 0.28 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.23 1h39 h ALA 503 Cb -0.09 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1h39 h ALA 503 CO -0.07 -0.49 0.60 -0.07 0.00 0.00 0.00 179.25 179.22 1h39 h LEU 504 N -0.79 0.11 -0.73 0.00 3.38 -0.33 0.82 115.31 117.76 1h39 h LEU 504 Ca -0.04 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1h39 h LEU 504 Cb 0.51 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1h39 h LEU 504 CO 0.06 0.04 -0.62 0.50 0.09 0.00 0.00 178.44 178.52 1h39 h LYS 505 N 0.11 0.06 0.00 1.13 3.11 -1.28 -2.68 116.57 117.03 1h39 h LYS 505 Ca 0.41 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 58.06 1h39 h LYS 505 Cb 1.47 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.69 1h39 h LYS 505 CO -0.05 0.66 -0.70 0.00 -2.81 0.00 0.00 179.45 176.55 1h39 h ALA 506 N 1.33 0.62 -0.32 5.00 0.00 0.88 -3.24 119.26 123.54 1h39 h ALA 506 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1h39 h ALA 506 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1h39 h ALA 506 CO 0.08 0.87 0.00 1.33 0.00 0.00 0.00 179.25 181.54 1h39 n VAL 507 N -3.38 0.42 0.00 0.00 0.24 -0.59 -4.52 118.33 110.50 1h39 n VAL 507 Ca 0.01 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1h39 n VAL 507 Cb 0.77 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1h39 n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h39 n GLY 508 N 1.06 3.37 3.29 7.63 0.00 -1.23 -2.38 105.19 116.94 1h39 n GLY 508 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1h39 n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h39 n ILE 509 N -2.00 0.77 -2.66 -0.61 2.08 -1.02 -4.84 119.36 111.08 1h39 n ILE 509 Ca 0.00 -0.45 -0.43 0.00 0.56 0.00 0.00 62.75 62.43 1h39 n ILE 509 Cb 0.00 -0.32 -0.02 0.00 -0.75 0.00 0.00 39.64 38.55 1h39 n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1h39 s ASP 510 N -1.21 6.93 0.00 4.38 2.15 -1.26 -4.71 116.67 122.95 1h39 s ASP 510 Ca 0.57 1.06 0.09 0.00 0.43 0.00 0.00 52.55 54.71 1h39 s ASP 510 Cb -0.37 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.20 1h39 s ASP 510 CO 0.66 -0.84 1.17 0.35 -0.17 0.00 0.00 175.17 176.34 1h39 n THR 511 N 5.79 0.73 0.44 1.71 -2.24 -1.26 -1.91 114.28 117.53 1h39 n THR 511 Ca 0.11 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 1h39 n THR 511 Cb 0.47 -1.03 0.03 0.00 -2.10 0.00 0.00 70.33 67.70 1h39 n THR 511 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1h39 n ARG 512 N -1.26 0.37 -1.05 -0.78 0.63 -1.26 -4.48 116.66 108.82 1h39 n ARG 512 Ca 0.05 0.02 -0.35 0.00 -0.92 0.00 0.00 57.85 56.64 1h39 n ARG 512 Cb 0.07 -1.65 0.03 0.00 0.45 0.00 0.00 32.46 31.36 1h39 n ARG 512 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1h39 n GLU 513 N -2.14 0.00 0.42 -0.14 -0.58 -0.81 -4.59 120.64 112.81 1h39 n GLU 513 Ca 0.01 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.59 1h39 n GLU 513 Cb 0.47 -0.95 -0.08 0.00 -0.57 0.00 0.00 31.44 30.31 1h39 n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h39 h PRO 514 N -0.54 -1.05 -0.27 3.49 0.11 -1.94 -1.68 132.00 130.12 1h39 h PRO 514 Ca -0.41 0.07 0.08 0.00 0.11 0.00 0.00 66.00 65.86 1h39 h PRO 514 Cb 1.30 0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.63 1h39 h PRO 514 CO 0.30 -0.70 0.24 0.10 -0.21 0.00 0.00 178.00 177.72 1h39 h TYR 515 N -1.24 0.00 0.47 0.65 -0.00 -1.98 -0.43 116.97 114.44 1h39 h TYR 515 Ca -0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.60 1h39 h TYR 515 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.57 1h39 h TYR 515 CO 0.01 0.00 -0.23 0.82 -0.00 0.00 0.00 178.16 178.76 1h39 h ILE 516 N 0.00 0.18 -0.89 -0.90 1.08 -1.87 -3.00 117.51 112.12 1h39 h ILE 516 Ca 0.13 -0.55 0.16 0.00 -0.39 0.00 0.00 64.86 64.21 1h39 h ILE 516 Cb 0.60 0.28 -0.07 0.00 -3.07 0.00 0.00 36.82 34.56 1h39 h ILE 516 CO -0.00 0.04 0.58 1.56 -0.69 0.00 0.00 178.15 179.63 1h39 h GLN 517 N -1.10 0.61 0.00 2.37 1.08 -0.66 0.38 115.11 117.80 1h39 h GLN 517 Ca -0.06 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1h39 h GLN 517 Cb 0.55 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1h39 h GLN 517 CO 0.11 0.41 0.00 -0.22 -0.95 0.00 0.00 178.83 178.17 1h39 h LYS 518 N 0.63 0.00 0.05 1.46 3.64 -1.08 -1.39 116.57 119.88 1h39 h LYS 518 Ca 0.46 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.62 1h39 h LYS 518 Cb 0.81 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1h39 h LYS 518 CO -0.21 0.00 -1.11 0.00 -2.27 0.00 0.00 179.45 175.86 1h39 h ALA 519 N 2.04 0.18 -0.55 5.00 0.00 -0.11 -3.24 119.26 122.58 1h39 h ALA 519 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1h39 h ALA 519 Cb 0.21 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1h39 h ALA 519 CO 0.00 0.64 0.35 -0.07 0.00 0.00 0.00 179.25 180.17 1h39 h LEU 520 N -0.66 0.65 -0.24 0.00 4.07 -1.05 -2.32 115.31 115.75 1h39 h LEU 520 Ca -0.27 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 57.71 1h39 h LEU 520 Cb 1.47 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 43.00 1h39 h LEU 520 CO -0.04 0.50 -0.07 0.44 -1.08 0.00 0.00 178.44 178.18 1h39 h ASP 521 N 0.75 -0.25 -0.84 -0.43 3.32 -1.43 -1.39 116.42 116.13 1h39 h ASP 521 Ca 0.20 0.08 0.19 0.00 0.02 0.00 0.00 57.03 57.52 1h39 h ASP 521 Cb -0.05 0.16 -0.12 0.00 0.22 0.00 0.00 39.33 39.54 1h39 h ASP 521 CO -0.04 -0.09 0.33 -0.25 -1.72 0.00 0.00 179.24 177.47 1h39 h TRP 522 N -0.02 0.54 0.30 4.55 7.01 -1.46 -1.34 115.95 125.53 1h39 h TRP 522 Ca 0.12 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1h39 h TRP 522 Cb 0.20 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1h39 h TRP 522 CO -0.26 -0.04 -0.16 0.28 -2.79 0.00 0.00 178.44 175.47 1h39 h VAL 523 N 0.38 0.00 -1.38 2.65 2.07 -0.76 -2.71 116.25 116.50 1h39 h VAL 523 Ca 0.51 0.00 0.40 0.00 0.82 0.00 0.00 66.70 68.43 1h39 h VAL 523 Cb 0.91 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1h39 h VAL 523 CO -0.51 0.00 1.06 -0.33 0.02 0.00 0.00 177.57 177.81 1h39 h GLU 524 N -0.43 0.00 0.00 1.57 5.08 -0.95 0.40 114.58 120.25 1h39 h GLU 524 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1h39 h GLU 524 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1h39 h GLU 524 CO 0.05 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.10 1h39 n GLN 525 N -3.95 0.05 -0.03 2.33 6.02 -0.56 -3.27 117.38 117.97 1h39 n GLN 525 Ca 0.30 0.12 0.01 0.00 -0.01 0.00 0.00 57.00 57.43 1h39 n GLN 525 Cb 1.50 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 31.29 1h39 n GLN 525 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1h39 n HIS 526 N -1.47 0.08 -1.92 1.08 8.25 0.14 -5.00 115.22 116.38 1h39 n HIS 526 Ca 0.06 -0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 56.77 1h39 n HIS 526 Cb 0.24 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 1h39 n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1h39 s GLN 527 N -0.73 3.62 1.09 -0.41 0.74 -1.20 -4.72 119.66 118.03 1h39 s GLN 527 Ca 0.05 1.84 -0.14 0.00 0.05 0.00 0.00 55.36 57.16 1h39 s GLN 527 Cb 0.03 -4.16 0.19 0.00 1.10 0.00 0.00 33.01 30.17 1h39 s GLN 527 CO 0.04 -1.52 0.74 0.09 -0.55 0.00 0.00 175.29 174.09 1h39 n ASN 528 N 9.35 -1.52 -0.13 6.67 3.02 0.08 -4.88 115.26 127.86 1h39 n ASN 528 Ca 0.22 0.02 -0.02 0.00 -0.03 0.00 0.00 54.58 54.77 1h39 n ASN 528 Cb 0.45 -1.23 0.22 0.00 -0.61 0.00 0.00 39.78 38.61 1h39 n ASN 528 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1h39 h PRO 529 N -2.27 0.83 0.00 3.52 0.13 -1.93 -2.40 132.00 129.88 1h39 h PRO 529 Ca -0.54 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1h39 h PRO 529 Cb 1.32 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h39 h PRO 529 CO 0.43 0.69 0.00 -0.40 -0.23 0.00 0.00 178.00 178.50 1h39 n ASP 530 N -4.32 0.00 0.00 1.44 5.68 -1.26 -4.76 116.55 113.33 1h39 n ASP 530 Ca 0.05 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1h39 n ASP 530 Cb 0.18 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1h39 n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h39 n GLY 531 N -0.84 1.29 1.15 6.12 0.00 -0.90 -4.68 105.19 107.32 1h39 n GLY 531 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1h39 n GLY 531 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h39 n GLY 532 N -2.00 2.60 3.24 -0.02 0.00 -1.26 -2.80 105.19 104.96 1h39 n GLY 532 Ca 0.00 -2.19 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 1h39 n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h39 s TRP 533 N -0.55 1.67 -0.17 1.61 0.51 -1.26 -0.74 118.94 120.00 1h39 s TRP 533 Ca 0.12 -0.39 -0.19 0.00 -2.12 0.00 0.00 56.10 53.53 1h39 s TRP 533 Cb -0.01 -0.96 0.05 0.00 -0.81 0.00 0.00 33.47 31.74 1h39 s TRP 533 CO 0.08 0.12 0.52 0.20 -0.51 0.00 0.00 176.95 177.35 1h39 s GLY 534 N -1.45 -0.39 -0.14 0.98 0.00 -1.26 -1.47 107.32 103.60 1h39 s GLY 534 Ca 0.05 1.37 -0.03 0.00 0.00 0.00 0.00 44.72 46.12 1h39 s GLY 534 CO 0.03 1.16 0.04 1.85 0.00 0.00 0.00 173.10 176.18 1h39 s GLU 535 N 0.06 0.41 0.55 2.90 2.12 -1.26 -2.39 118.70 121.10 1h39 s GLU 535 Ca -0.02 -0.10 -0.18 0.00 0.36 0.00 0.00 54.97 55.04 1h39 s GLU 535 Cb -0.03 -1.54 -0.06 0.00 0.26 0.00 0.00 34.13 32.76 1h39 s GLU 535 CO 0.02 -0.52 1.05 0.34 -0.54 0.00 0.00 175.26 175.61 1h39 s ASP 536 N 2.00 6.01 0.00 -1.70 2.15 0.17 -4.76 116.67 120.54 1h39 s ASP 536 Ca 0.02 1.87 0.05 0.00 0.43 0.00 0.00 52.55 54.92 1h39 s ASP 536 Cb -0.15 -2.55 0.22 0.00 -0.30 0.00 0.00 42.92 40.14 1h39 s ASP 536 CO -0.07 -1.01 1.16 0.00 -0.17 0.00 0.00 175.17 175.08 1h39 h ARG 538 N 0.00 0.00 0.00 0.00 3.08 -1.93 -3.02 114.38 112.51 1h39 h ARG 538 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h39 h ARG 538 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1h39 h ARG 538 CO 0.00 0.00 0.01 -1.13 -1.07 0.00 0.00 179.97 177.78 1h39 n SER 539 N -2.81 0.00 -0.02 7.04 3.41 -0.73 -0.10 113.62 120.41 1h39 n SER 539 Ca 0.01 0.36 -0.06 0.00 -0.26 0.00 0.00 58.87 58.92 1h39 n SER 539 Cb 0.30 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.77 1h39 n SER 539 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1h39 n TYR 540 N -1.35 0.80 -0.11 7.33 4.01 -1.14 -4.49 117.16 122.20 1h39 n TYR 540 Ca 0.00 0.28 -0.23 0.00 -0.16 0.00 0.00 57.90 57.79 1h39 n TYR 540 Cb 0.01 -1.11 -0.10 0.00 -0.31 0.00 0.00 39.34 37.83 1h39 n TYR 540 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h39 n GLU 541 N -2.93 0.57 -3.98 -0.72 -0.58 0.85 -4.81 120.64 109.04 1h39 n GLU 541 Ca -0.17 0.47 -0.34 0.00 -0.42 0.00 0.00 57.16 56.70 1h39 n GLU 541 Cb 1.00 -1.66 -0.15 0.00 -0.57 0.00 0.00 31.44 30.06 1h39 n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1h39 s ASP 542 N -6.97 4.15 0.61 1.62 2.15 0.64 -5.00 116.67 113.87 1h39 s ASP 542 Ca -0.31 -0.79 0.31 0.00 0.43 0.00 0.00 52.55 52.19 1h39 s ASP 542 Cb 0.08 -1.64 1.73 0.00 -0.30 0.00 0.00 42.92 42.79 1h39 s ASP 542 CO 0.54 -0.10 2.08 1.55 -0.17 0.00 0.00 175.17 179.07 1h39 h PRO 543 N 8.01 0.00 0.00 4.34 0.13 -1.83 -1.38 132.00 141.27 1h39 h PRO 543 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1h39 h PRO 543 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1h39 h PRO 543 CO 0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1h39 n ALA 544 N -2.21 1.31 0.68 -0.56 0.00 -1.26 -1.74 120.51 116.72 1h39 n ALA 544 Ca 0.01 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1h39 n ALA 544 Cb 0.34 -1.21 0.21 0.00 0.00 0.00 0.00 19.45 18.80 1h39 n ALA 544 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h39 n TYR 545 N -1.82 0.29 -1.70 0.00 4.01 -0.52 -4.80 117.16 112.63 1h39 n TYR 545 Ca 0.01 -0.15 -0.43 0.00 -0.16 0.00 0.00 57.90 57.17 1h39 n TYR 545 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1h39 n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h39 s ALA 546 N -1.71 2.96 -0.02 -0.72 0.00 -0.71 -0.35 121.76 121.20 1h39 s ALA 546 Ca 0.35 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1h39 s ALA 546 Cb 0.21 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1h39 s ALA 546 CO 0.31 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 174.01 1h39 n GLY 547 N 5.40 0.47 3.36 0.00 0.00 -1.26 -5.03 105.19 108.12 1h39 n GLY 547 Ca 0.26 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1h39 n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h39 s LYS 548 N -0.71 2.42 0.00 1.61 1.02 0.52 -4.69 119.74 119.92 1h39 s LYS 548 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.16 1h39 s LYS 548 Cb 0.00 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1h39 s LYS 548 CO 0.00 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 1h39 n GLY 549 N 2.58 2.73 3.76 -3.33 0.00 -1.00 0.45 105.19 110.37 1h39 n GLY 549 Ca -0.17 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1h39 n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h39 s ALA 550 N -2.00 3.55 0.40 4.61 0.00 -1.26 -4.06 121.76 123.00 1h39 s ALA 550 Ca 0.00 1.34 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 1h39 s ALA 550 Cb 0.00 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1h39 s ALA 550 CO 0.00 -0.75 1.43 -1.12 0.00 0.00 0.00 175.76 175.31 1h39 s SER 551 N -0.15 6.24 0.11 0.00 0.01 -1.26 -4.23 113.70 114.41 1h39 s SER 551 Ca 0.53 2.93 0.04 0.00 1.31 0.00 0.00 55.95 60.76 1h39 s SER 551 Cb -0.42 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.12 1h39 s SER 551 CO 0.52 -0.93 -0.11 0.42 0.41 0.00 0.00 173.24 173.55 1h39 s THR 552 N -1.16 1.06 0.14 1.44 -4.23 -0.54 -4.88 115.64 107.47 1h39 s THR 552 Ca 0.55 -1.74 -0.18 0.00 -1.18 0.00 0.00 61.69 59.14 1h39 s THR 552 Cb -0.44 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1h39 s THR 552 CO 0.58 -0.57 1.71 -0.65 -0.54 0.00 0.00 174.62 175.16 1h39 h PRO 553 N 3.40 0.09 0.69 3.99 0.11 -1.88 -1.46 132.00 136.94 1h39 h PRO 553 Ca -0.38 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 1h39 h PRO 553 Cb 1.19 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1h39 h PRO 553 CO 0.55 0.06 -0.33 0.66 -0.21 0.00 0.00 178.00 178.72 1h39 h SER 554 N 0.09 -0.78 -0.84 -2.05 4.64 -1.85 -2.26 113.55 110.49 1h39 h SER 554 Ca 0.13 0.03 0.18 0.00 -0.47 0.00 0.00 61.79 61.66 1h39 h SER 554 Cb 0.17 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 1h39 h SER 554 CO -0.22 -0.43 0.56 1.56 -0.87 0.00 0.00 176.83 177.43 1h39 h GLN 555 N -1.19 0.38 0.29 4.77 4.20 -1.84 -0.12 115.11 121.61 1h39 h GLN 555 Ca -0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1h39 h GLN 555 Cb 0.71 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1h39 h GLN 555 CO 0.16 0.25 -0.14 1.15 -0.67 0.00 0.00 178.83 179.57 1h39 h THR 556 N 0.39 0.73 -0.71 -0.54 2.02 -1.25 -2.08 112.91 111.48 1h39 h THR 556 Ca 0.43 -0.49 0.18 0.00 0.77 0.00 0.00 66.41 67.30 1h39 h THR 556 Cb 1.07 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1h39 h THR 556 CO -0.15 0.10 0.49 0.00 0.37 0.00 0.00 175.52 176.34 1h39 h ALA 557 N -0.06 2.48 0.27 6.16 0.00 -0.55 0.22 119.26 127.77 1h39 h ALA 557 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1h39 h ALA 557 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1h39 h ALA 557 CO 0.07 -0.68 -0.13 -1.49 0.00 0.00 0.00 179.25 177.02 1h39 h TRP 558 N 0.13 -0.34 -0.13 0.00 6.55 -0.73 -0.59 115.95 120.85 1h39 h TRP 558 Ca 0.34 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 60.16 1h39 h TRP 558 Cb 1.17 0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 29.57 1h39 h TRP 558 CO -0.00 0.02 0.01 0.00 -1.05 0.00 0.00 178.44 177.42 1h39 h ALA 559 N -0.24 1.78 -0.54 1.49 0.00 -0.68 -1.64 119.26 119.42 1h39 h ALA 559 Ca -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1h39 h ALA 559 Cb 0.51 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1h39 h ALA 559 CO 0.06 0.18 0.17 1.25 0.00 0.00 0.00 179.25 180.91 1h39 h LEU 560 N 0.18 0.79 -1.17 0.00 5.85 -0.43 -2.59 115.31 117.94 1h39 h LEU 560 Ca 0.05 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1h39 h LEU 560 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1h39 h LEU 560 CO 0.00 0.78 -0.08 0.24 -0.34 0.00 0.00 178.44 179.05 1h39 h MET 561 N 0.75 0.48 -0.60 1.25 2.86 -0.15 -0.68 114.93 118.84 1h39 h MET 561 Ca 0.17 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1h39 h MET 561 Cb 0.28 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1h39 h MET 561 CO -0.01 0.57 0.06 0.00 1.06 0.00 0.00 176.91 178.59 1h39 h ALA 562 N 1.47 0.97 -0.09 6.32 0.00 -1.18 -0.30 119.26 126.45 1h39 h ALA 562 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1h39 h ALA 562 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1h39 h ALA 562 CO 0.02 0.64 -0.18 -0.07 0.00 0.00 0.00 179.25 179.66 1h39 h LEU 563 N 0.93 0.31 -1.01 0.00 3.38 -1.06 0.15 115.31 118.01 1h39 h LEU 563 Ca 0.18 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1h39 h LEU 563 Cb 0.46 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1h39 h LEU 563 CO 0.02 0.81 0.60 0.40 0.09 0.00 0.00 178.44 180.37 1h39 h ILE 564 N -0.19 1.25 -0.22 1.22 2.04 -1.07 -1.48 117.51 119.07 1h39 h ILE 564 Ca 0.00 -0.51 -0.18 0.00 1.00 0.00 0.00 64.86 65.18 1h39 h ILE 564 Cb 0.76 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1h39 h ILE 564 CO 0.04 0.26 -0.55 0.00 0.00 0.00 0.00 178.15 177.89 1h39 h ALA 565 N 1.36 0.36 0.00 1.87 0.00 -1.05 -3.10 119.26 118.71 1h39 h ALA 565 Ca 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1h39 h ALA 565 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1h39 h ALA 565 CO -0.07 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1h39 n GLY 566 N 0.48 -0.77 0.20 0.00 0.00 0.04 -4.85 105.19 100.28 1h39 n GLY 566 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1h39 n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h39 n GLY 567 N 0.09 3.45 0.82 -0.02 0.00 -0.95 -4.82 105.19 103.75 1h39 n GLY 567 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1h39 n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h39 n ARG 568 N -2.00 0.93 -0.12 1.61 1.74 -0.60 -4.24 116.66 113.99 1h39 n ARG 568 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1h39 n ARG 568 Cb 0.00 -1.19 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1h39 n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h39 h ALA 569 N 1.97 0.41 -0.43 7.54 0.00 -1.73 -2.63 119.26 124.39 1h39 h ALA 569 Ca 0.00 0.08 -0.66 0.00 0.00 0.00 0.00 54.91 54.33 1h39 h ALA 569 Cb 0.76 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1h39 h ALA 569 CO 0.00 -0.33 2.31 -1.91 0.00 0.00 0.00 179.25 179.32 1h39 n GLU 570 N -5.10 3.93 -4.46 0.00 2.13 -1.26 -4.31 120.64 111.57 1h39 n GLU 570 Ca 0.02 -2.86 -0.30 0.00 0.66 0.00 0.00 57.16 54.69 1h39 n GLU 570 Cb 0.18 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.26 1h39 n GLU 570 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1h39 s SER 571 N 0.90 4.26 -0.02 4.31 0.15 -0.99 -5.00 113.70 117.31 1h39 s SER 571 Ca 0.59 -1.46 -0.07 0.00 0.70 0.00 0.00 55.95 55.71 1h39 s SER 571 Cb 0.22 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1h39 s SER 571 CO -0.10 -0.84 0.46 -0.08 1.20 0.00 0.00 173.24 173.88 1h39 h GLU 572 N 1.25 -0.25 -1.07 5.44 4.57 -1.90 -1.38 114.58 121.24 1h39 h GLU 572 Ca -0.42 0.02 0.28 0.00 -1.18 0.00 0.00 59.36 58.06 1h39 h GLU 572 Cb 1.30 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.85 1h39 h GLU 572 CO 0.70 -0.17 0.69 0.00 -1.18 0.00 0.00 179.01 179.05 1h39 h ALA 573 N -1.53 2.31 0.40 2.92 0.00 -1.97 0.67 119.26 122.07 1h39 h ALA 573 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1h39 h ALA 573 Cb 0.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h39 h ALA 573 CO 0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 179.25 178.37 1h39 h ALA 574 N 1.61 -0.96 -0.14 0.00 0.00 -1.81 -1.52 119.26 116.43 1h39 h ALA 574 Ca 0.61 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.44 1h39 h ALA 574 Cb 1.63 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1h39 h ALA 574 CO -0.29 -0.93 0.12 -0.09 0.00 0.00 0.00 179.25 178.06 1h39 h ARG 575 N -0.63 0.00 0.42 0.00 2.43 -0.28 -1.77 114.38 114.55 1h39 h ARG 575 Ca -0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1h39 h ARG 575 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1h39 h ARG 575 CO 0.09 0.00 -0.20 0.00 -1.51 0.00 0.00 179.97 178.35 1h39 h ARG 576 N 0.00 -0.54 -0.41 0.20 2.47 0.45 -2.33 114.38 114.22 1h39 h ARG 576 Ca 0.07 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.85 1h39 h ARG 576 Cb 0.30 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 1h39 h ARG 576 CO -0.00 -0.36 0.21 0.78 0.56 0.00 0.00 179.97 181.16 1h39 h GLY 577 N -0.57 0.56 0.16 0.04 0.00 -0.41 -1.52 103.07 101.32 1h39 h GLY 577 Ca -0.06 -0.15 0.20 0.00 0.00 0.00 0.00 47.33 47.33 1h39 h GLY 577 CO 0.09 0.11 0.62 -2.08 0.00 0.00 0.00 176.54 175.28 1h39 h VAL 578 N 0.42 0.68 -0.40 4.60 2.07 -1.33 0.21 116.25 122.51 1h39 h VAL 578 Ca 0.17 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1h39 h VAL 578 Cb 0.07 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1h39 h VAL 578 CO -0.11 0.11 0.22 -0.61 0.02 0.00 0.00 177.57 177.20 1h39 h GLN 579 N 0.62 0.55 0.06 1.57 5.75 -0.72 -1.98 115.11 120.96 1h39 h GLN 579 Ca 0.55 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 59.01 1h39 h GLN 579 Cb 1.05 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.44 1h39 h GLN 579 CO -0.31 0.45 -0.37 -0.92 -2.65 0.00 0.00 178.83 175.04 1h39 h TYR 580 N 0.51 -1.03 -0.33 3.99 5.03 -0.31 -0.77 116.97 124.06 1h39 h TYR 580 Ca 0.14 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.52 1h39 h TYR 580 Cb 0.06 0.45 -0.04 0.00 1.55 0.00 0.00 36.73 38.74 1h39 h TYR 580 CO -0.02 -0.47 0.09 -0.07 -1.32 0.00 0.00 178.16 176.37 1h39 h LEU 581 N -0.56 0.07 -1.16 2.82 3.38 -1.36 0.17 115.31 118.68 1h39 h LEU 581 Ca 0.04 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1h39 h LEU 581 Cb 0.62 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1h39 h LEU 581 CO -0.26 0.08 0.59 0.58 0.09 0.00 0.00 178.44 179.52 1h39 h VAL 582 N 0.22 1.01 0.04 1.22 2.07 -1.01 -2.53 116.25 117.27 1h39 h VAL 582 Ca 0.15 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1h39 h VAL 582 Cb 0.15 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1h39 h VAL 582 CO -0.18 0.18 -0.02 -0.33 0.02 0.00 0.00 177.57 177.23 1h39 h GLU 583 N 0.96 -0.06 0.00 1.57 5.08 -0.52 -3.33 114.58 118.28 1h39 h GLU 583 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1h39 h GLU 583 Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1h39 h GLU 583 CO -0.17 -0.04 0.24 0.25 -1.00 0.00 0.00 179.01 178.29 1h39 n THR 584 N -3.18 1.01 -1.63 1.13 -2.24 -0.01 -4.68 114.28 104.70 1h39 n THR 584 Ca -0.01 0.54 -0.36 0.00 -2.27 0.00 0.00 64.05 61.95 1h39 n THR 584 Cb 0.02 -1.54 0.08 0.00 -2.10 0.00 0.00 70.33 66.79 1h39 n THR 584 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1h39 n GLN 585 N -1.41 0.96 -2.87 -0.78 7.27 -0.95 -4.71 117.38 114.88 1h39 n GLN 585 Ca -0.00 0.39 -0.23 0.00 0.07 0.00 0.00 57.00 57.23 1h39 n GLN 585 Cb 0.25 -2.52 0.02 0.00 2.41 0.00 0.00 30.24 30.40 1h39 n GLN 585 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1h39 s ARG 586 N -3.49 2.98 0.34 3.69 0.52 -0.92 -4.99 118.95 117.09 1h39 s ARG 586 Ca 0.81 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.59 1h39 s ARG 586 Cb -0.37 -2.52 0.67 0.00 0.52 0.00 0.00 34.95 33.25 1h39 s ARG 586 CO 0.42 -0.38 1.96 -1.35 0.02 0.00 0.00 175.30 175.97 1h39 h PRO 587 N 0.29 0.82 0.00 3.54 0.11 -1.95 -1.01 132.00 133.81 1h39 h PRO 587 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h39 h PRO 587 Cb 1.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1h39 h PRO 587 CO 0.57 0.54 0.00 0.38 -0.21 0.00 0.00 178.00 179.28 1h39 h ASP 588 N 0.85 0.00 0.00 -2.05 3.04 -1.96 -3.46 116.42 112.84 1h39 h ASP 588 Ca 0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 1h39 h ASP 588 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1h39 h ASP 588 CO -0.10 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.71 1h39 n GLY 589 N 0.25 0.61 0.00 7.15 0.00 -0.38 -4.62 105.19 108.19 1h39 n GLY 589 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1h39 n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h39 n GLY 590 N -1.39 0.59 3.40 -0.02 0.00 -1.26 -3.53 105.19 102.99 1h39 n GLY 590 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1h39 n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h39 s TRP 591 N 0.69 -0.47 0.27 1.61 0.51 -1.26 -2.16 118.94 118.13 1h39 s TRP 591 Ca 0.00 0.31 0.10 0.00 -2.12 0.00 0.00 56.10 54.39 1h39 s TRP 591 Cb 0.00 0.47 -0.05 0.00 -0.81 0.00 0.00 33.47 33.08 1h39 s TRP 591 CO 0.00 -0.78 -0.05 -0.51 -0.51 0.00 0.00 176.95 175.10 1h39 s ASP 592 N -2.57 4.30 -0.42 2.95 1.01 -1.26 -4.81 116.67 115.87 1h39 s ASP 592 Ca -0.00 -0.75 0.04 0.00 0.71 0.00 0.00 52.55 52.55 1h39 s ASP 592 Cb -0.00 -0.70 0.19 0.00 1.01 0.00 0.00 42.92 43.41 1h39 s ASP 592 CO -0.10 -0.00 0.75 -0.70 0.21 0.00 0.00 175.17 175.33 1h39 s GLU 593 N -3.64 0.76 0.00 8.23 2.12 -1.26 -4.45 118.70 120.46 1h39 s GLU 593 Ca 0.31 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1h39 s GLU 593 Cb -0.06 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.37 1h39 s GLU 593 CO 0.19 -1.04 0.55 -0.35 -0.54 0.00 0.00 175.26 174.06 1h39 n PRO 594 N 3.79 0.71 -4.23 4.30 -0.04 -1.26 -4.76 135.00 133.51 1h39 n PRO 594 Ca 0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 1h39 n PRO 594 Cb 0.58 -1.17 -0.12 0.00 -0.04 0.00 0.00 33.50 32.76 1h39 n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h39 s TYR 595 N -1.54 1.45 0.14 0.54 2.02 -1.26 -4.74 117.35 113.96 1h39 s TYR 595 Ca 0.00 -0.49 -0.26 0.00 -0.37 0.00 0.00 57.07 55.94 1h39 s TYR 595 Cb 0.00 -0.78 -0.07 0.00 -0.40 0.00 0.00 41.96 40.71 1h39 s TYR 595 CO 0.00 0.14 0.81 0.71 -1.57 0.00 0.00 175.55 175.64 1h39 s TYR 596 N -1.69 3.86 0.00 2.71 1.51 -1.26 -4.93 117.35 117.55 1h39 s TYR 596 Ca 0.06 1.64 0.00 0.00 -1.01 0.00 0.00 57.07 57.75 1h39 s TYR 596 Cb -0.07 -2.83 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 1h39 s TYR 596 CO 0.03 0.42 0.75 0.25 -1.11 0.00 0.00 175.55 175.90 1h39 n THR 597 N 2.00 0.55 -4.49 -0.71 -2.24 -1.24 -4.77 114.28 103.38 1h39 n THR 597 Ca -0.04 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 60.82 1h39 n THR 597 Cb 0.49 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 1h39 n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h39 s GLY 598 N -0.55 1.76 -0.13 3.38 0.00 -0.92 -0.83 107.32 110.02 1h39 s GLY 598 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1h39 s GLY 598 CO 0.00 -0.76 -0.18 -1.59 0.00 0.00 0.00 173.10 170.57 1h39 s THR 599 N -0.93 2.50 -0.22 0.90 2.01 -1.22 -1.25 115.64 117.43 1h39 s THR 599 Ca 0.15 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 1h39 s THR 599 Cb -0.11 -2.02 -0.12 0.00 0.01 0.00 0.00 72.50 70.26 1h39 s THR 599 CO 0.05 0.53 -0.16 0.61 -0.69 0.00 0.00 174.62 174.97 1h39 n GLY 600 N 3.81 -0.67 2.71 4.40 0.00 -0.19 -4.34 105.19 110.91 1h39 n GLY 600 Ca -0.19 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1h39 n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h39 s PHE 601 N -2.49 -0.10 -0.45 1.61 0.08 0.28 -4.92 117.98 111.97 1h39 s PHE 601 Ca -0.30 0.07 -0.45 0.00 0.12 0.00 0.00 56.93 56.37 1h39 s PHE 601 Cb 0.08 -0.47 -0.19 0.00 -0.57 0.00 0.00 43.02 41.88 1h39 s PHE 601 CO 0.47 -0.54 1.71 -2.30 -0.10 0.00 0.00 175.22 174.46 1h39 n PRO 602 N 5.31 0.26 -0.55 0.24 -0.02 -1.26 -0.06 135.00 138.92 1h39 n PRO 602 Ca -0.06 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1h39 n PRO 602 Cb 0.49 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1h39 n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h39 n GLY 603 N 4.56 1.56 0.00 -1.23 0.00 -1.26 -4.78 105.19 104.03 1h39 n GLY 603 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1h39 n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h39 n ASP 604 N 0.00 3.36 -3.71 1.61 8.00 0.91 -5.04 116.55 121.68 1h39 n ASP 604 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1h39 n ASP 604 Cb 0.00 0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.01 1h39 n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1h39 s PHE 605 N -1.80 -0.09 0.12 1.24 5.36 -0.68 -4.93 117.98 117.19 1h39 s PHE 605 Ca 0.00 0.42 0.11 0.00 -0.96 0.00 0.00 56.93 56.50 1h39 s PHE 605 Cb 0.00 -0.25 -0.04 0.00 -0.34 0.00 0.00 43.02 42.40 1h39 s PHE 605 CO 0.00 -0.19 -0.26 0.71 -1.46 0.00 0.00 175.22 174.02 1h39 s TYR 606 N 1.72 2.34 0.19 10.12 2.02 -1.26 -0.56 117.35 131.93 1h39 s TYR 606 Ca -0.02 -0.37 0.11 0.00 -0.37 0.00 0.00 57.07 56.42 1h39 s TYR 606 Cb -0.12 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 1h39 s TYR 606 CO -0.05 0.33 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.51 1h39 s LEU 607 N -2.00 2.44 -0.36 -1.29 1.43 -0.38 -4.48 118.68 114.04 1h39 s LEU 607 Ca 0.14 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1h39 s LEU 607 Cb -0.10 -1.17 0.10 0.00 0.03 0.00 0.00 46.19 45.06 1h39 s LEU 607 CO 0.06 0.12 0.09 -0.83 0.23 0.00 0.00 176.35 176.02 1h39 s GLY 608 N -2.69 1.96 -0.53 -3.19 0.00 0.15 -2.17 107.32 100.86 1h39 s GLY 608 Ca 0.21 -2.56 -0.27 0.00 0.00 0.00 0.00 44.72 42.10 1h39 s GLY 608 CO 0.10 0.96 1.07 -0.19 0.00 0.00 0.00 173.10 175.04 1h39 s TYR 609 N 0.94 2.75 0.46 1.90 1.51 -1.26 -1.72 117.35 121.93 1h39 s TYR 609 Ca 0.10 0.37 0.14 0.00 -1.01 0.00 0.00 57.07 56.67 1h39 s TYR 609 Cb -0.20 -4.30 1.07 0.00 -0.11 0.00 0.00 41.96 38.43 1h39 s TYR 609 CO -0.07 -1.38 2.04 1.15 -1.11 0.00 0.00 175.55 176.18 1h39 h THR 610 N 6.13 0.96 0.00 -0.71 2.02 -1.85 -2.91 112.91 116.55 1h39 h THR 610 Ca -0.25 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1h39 h THR 610 Cb 1.06 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1h39 h THR 610 CO 1.12 0.06 -0.64 0.24 0.37 0.00 0.00 175.52 176.67 1h39 h MET 611 N 0.32 0.00 -0.61 6.66 2.86 -1.89 -3.37 114.93 118.90 1h39 h MET 611 Ca 0.18 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.94 1h39 h MET 611 Cb 0.31 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.85 1h39 h MET 611 CO -0.04 0.33 -0.17 1.88 1.06 0.00 0.00 176.91 179.97 1h39 h TYR 612 N 0.00 -0.37 -0.21 -0.22 -1.99 -1.94 0.24 116.97 112.48 1h39 h TYR 612 Ca -0.03 0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.81 1h39 h TYR 612 Cb 1.32 0.26 -0.01 0.00 2.00 0.00 0.00 36.73 40.30 1h39 h TYR 612 CO 0.00 -0.27 0.34 0.07 -0.00 0.00 0.00 178.16 178.30 1h39 h ARG 613 N -0.02 0.00 0.00 4.88 0.11 -1.75 -2.69 114.38 114.91 1h39 h ARG 613 Ca 0.29 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.07 1h39 h ARG 613 Cb 0.46 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.49 1h39 h ARG 613 CO -0.63 0.00 -2.09 0.72 0.10 0.00 0.00 179.97 178.07 1h39 n HIS 614 N -3.42 0.00 0.32 4.08 8.25 0.16 -4.42 115.22 120.19 1h39 n HIS 614 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1h39 n HIS 614 Cb 0.46 -0.72 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 1h39 n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h39 h VAL 615 N -0.28 0.00 -0.80 1.59 2.07 -0.53 -3.17 116.25 115.12 1h39 h VAL 615 Ca -0.45 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1h39 h VAL 615 Cb 1.57 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1h39 h VAL 615 CO -0.16 0.00 0.49 -0.26 0.02 0.00 0.00 177.57 177.66 1h39 h PHE 616 N -1.15 0.90 -0.99 1.57 0.04 -1.71 -0.29 116.94 115.31 1h39 h PHE 616 Ca -0.09 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.73 1h39 h PHE 616 Cb 0.66 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 1h39 h PHE 616 CO 0.01 0.46 0.65 -1.35 -0.60 0.00 0.00 178.31 177.48 1h39 h PRO 617 N 0.90 1.27 -0.39 1.51 0.11 -1.72 0.30 132.00 133.97 1h39 h PRO 617 Ca 0.35 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 1h39 h PRO 617 Cb 0.16 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 1h39 h PRO 617 CO -0.17 0.84 0.06 1.15 -0.21 0.00 0.00 178.00 179.67 1h39 h THR 618 N 1.31 1.24 -0.68 -1.15 2.02 -1.32 -1.26 112.91 113.08 1h39 h THR 618 Ca 0.37 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 1h39 h THR 618 Cb -0.10 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1h39 h THR 618 CO -0.09 0.30 0.23 0.25 0.37 0.00 0.00 175.52 176.58 1h39 h LEU 619 N 0.50 0.97 0.01 2.58 5.85 -0.45 0.16 115.31 124.93 1h39 h LEU 619 Ca 0.12 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1h39 h LEU 619 Cb 0.38 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1h39 h LEU 619 CO 0.01 0.90 -0.01 0.00 -0.34 0.00 0.00 178.44 179.01 1h39 h ALA 620 N 1.10 -0.02 -0.31 1.25 0.00 -0.26 -2.43 119.26 118.59 1h39 h ALA 620 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1h39 h ALA 620 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1h39 h ALA 620 CO -0.01 -0.48 0.11 -0.07 0.00 0.00 0.00 179.25 178.80 1h39 h LEU 621 N -0.08 0.44 -1.69 0.00 3.38 -1.06 -2.04 115.31 114.26 1h39 h LEU 621 Ca -0.00 -0.18 0.19 0.00 0.09 0.00 0.00 57.88 57.98 1h39 h LEU 621 Cb 0.07 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1h39 h LEU 621 CO 0.00 0.51 0.55 1.23 0.09 0.00 0.00 178.44 180.82 1h39 h GLY 622 N 0.35 0.54 1.56 0.83 0.00 -0.54 0.16 103.07 105.96 1h39 h GLY 622 Ca 0.10 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1h39 h GLY 622 CO -0.01 0.01 -1.04 3.21 0.00 0.00 0.00 176.54 178.72 1h39 h ARG 623 N 0.27 0.00 0.00 4.80 3.08 -1.11 -3.08 114.38 118.34 1h39 h ARG 623 Ca 0.40 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.38 1h39 h ARG 623 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1h39 h ARG 623 CO -0.10 0.54 -0.37 -0.92 -1.07 0.00 0.00 179.97 178.05 1h39 h TYR 624 N 0.00 0.00 0.00 3.04 3.20 -0.35 -1.94 116.97 120.92 1h39 h TYR 624 Ca -0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1h39 h TYR 624 Cb 1.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.87 1h39 h TYR 624 CO 0.00 0.37 0.00 -0.22 -1.64 0.00 0.00 178.16 176.67 1h39 h LYS 625 N 0.00 0.00 0.08 1.82 3.64 -1.05 -3.07 116.57 117.99 1h39 h LYS 625 Ca -0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1h39 h LYS 625 Cb 0.96 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1h39 h LYS 625 CO 0.05 0.00 -1.47 1.96 -2.27 0.00 0.00 179.45 177.71 1h39 h GLN 626 N 0.00 0.17 0.00 1.90 1.08 -1.29 -2.80 115.11 114.16 1h39 h GLN 626 Ca 0.00 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1h39 h GLN 626 Cb 0.86 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1h39 h GLN 626 CO 0.00 1.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.88 1h39 n ALA 627 N -2.60 2.05 0.03 3.87 0.00 -0.80 -4.09 120.51 118.97 1h39 n ALA 627 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1h39 n ALA 627 Cb 1.03 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1h39 n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1h39 n ILE 628 N -0.93 0.20 0.00 0.00 -0.00 -1.24 -4.96 119.36 112.43 1h39 n ILE 628 Ca 0.10 0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 1h39 n ILE 628 Cb 0.04 -0.68 0.00 0.00 -0.00 0.00 0.00 39.64 39.01 1h39 n ILE 628 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76