#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h37 h TYR 11 N 0.00 0.00 -0.84 0.00 -0.00 -2.00 -3.24 116.97 110.88 1h37 h TYR 11 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 58.73 58.94 1h37 h TYR 11 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.59 1h37 h TYR 11 CO 0.00 0.17 0.17 0.00 -0.00 0.00 0.00 178.16 178.51 1h37 h ALA 12 N 1.83 1.13 -0.13 0.10 0.00 -1.99 0.79 119.26 120.99 1h37 h ALA 12 Ca -0.00 0.22 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1h37 h ALA 12 Cb 0.49 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1h37 h ALA 12 CO 0.02 -0.44 -0.36 0.00 0.00 0.00 0.00 179.25 178.48 1h37 h ARG 13 N 0.19 0.26 0.23 0.00 3.08 -1.99 0.23 114.38 116.39 1h37 h ARG 13 Ca 0.51 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 1h37 h ARG 13 Cb 0.98 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1h37 h ARG 13 CO -0.65 0.59 -0.11 1.15 -1.07 0.00 0.00 179.97 179.88 1h37 h THR 14 N 0.23 0.83 -0.72 2.04 2.02 0.14 -2.02 112.91 115.43 1h37 h THR 14 Ca 0.03 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1h37 h THR 14 Cb 0.74 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1h37 h THR 14 CO 0.06 0.09 0.46 0.25 0.37 0.00 0.00 175.52 176.75 1h37 h LEU 15 N -0.52 0.83 -0.93 2.58 6.46 0.21 -1.21 115.31 122.73 1h37 h LEU 15 Ca -0.03 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1h37 h LEU 15 Cb 0.39 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 1h37 h LEU 15 CO 0.05 0.62 0.53 0.44 -0.62 0.00 0.00 178.44 179.47 1h37 h ASP 16 N 0.97 1.14 0.16 1.25 3.32 -0.46 -0.77 116.42 122.03 1h37 h ASP 16 Ca 0.26 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 1h37 h ASP 16 Cb -0.08 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1h37 h ASP 16 CO -0.05 0.90 -0.65 0.03 -1.72 0.00 0.00 179.24 177.74 1h37 h ARG 17 N 1.29 0.46 -0.59 3.56 3.08 -1.05 -2.85 114.38 118.28 1h37 h ARG 17 Ca 0.33 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1h37 h ARG 17 Cb -0.01 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1h37 h ARG 17 CO -0.06 0.96 0.17 0.00 -1.07 0.00 0.00 179.97 179.98 1h37 h ALA 18 N 0.95 0.77 0.51 0.04 0.00 -0.77 -1.89 119.26 118.88 1h37 h ALA 18 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1h37 h ALA 18 Cb 1.21 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1h37 h ALA 18 CO 0.12 0.44 -0.25 0.28 0.00 0.00 0.00 179.25 179.84 1h37 h VAL 19 N 0.83 0.00 -0.60 0.00 2.07 -1.11 -1.52 116.25 115.92 1h37 h VAL 19 Ca 0.19 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.88 1h37 h VAL 19 Cb 0.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1h37 h VAL 19 CO -0.00 0.00 0.50 1.05 0.02 0.00 0.00 177.57 179.13 1h37 h GLU 20 N -0.69 0.00 0.31 1.57 4.11 -1.53 -0.79 114.58 117.55 1h37 h GLU 20 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1h37 h GLU 20 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1h37 h GLU 20 CO 0.12 0.00 -0.15 -0.92 0.07 0.00 0.00 179.01 178.13 1h37 h TYR 21 N 0.00 -0.38 -0.34 2.06 3.20 -1.07 -2.64 116.97 117.80 1h37 h TYR 21 Ca 0.29 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.21 1h37 h TYR 21 Cb 1.28 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 39.59 1h37 h TYR 21 CO 0.00 -0.03 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.02 1h37 h LEU 22 N -0.86 -1.31 -1.94 2.82 3.38 -0.13 0.15 115.31 117.43 1h37 h LEU 22 Ca -0.04 0.20 0.26 0.00 0.09 0.00 0.00 57.88 58.39 1h37 h LEU 22 Cb 0.52 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1h37 h LEU 22 CO 0.07 -0.37 0.71 -0.07 0.09 0.00 0.00 178.44 178.87 1h37 h LEU 23 N -0.35 0.00 -0.31 1.67 3.38 -1.33 0.40 115.31 118.78 1h37 h LEU 23 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1h37 h LEU 23 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1h37 h LEU 23 CO -0.52 0.00 -0.36 0.77 0.09 0.00 0.00 178.44 178.42 1h37 h SER 24 N 0.00 0.00 1.66 -0.43 4.64 -0.32 -3.20 113.55 115.90 1h37 h SER 24 Ca 0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1h37 h SER 24 Cb 1.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 1h37 h SER 24 CO -0.00 0.36 -0.35 0.00 -0.87 0.00 0.00 176.83 175.96 1h37 n GLN 26 N -3.10 1.97 -1.80 0.00 7.27 -1.11 -4.78 117.38 115.83 1h37 n GLN 26 Ca 0.02 0.70 -0.29 0.00 0.07 0.00 0.00 57.00 57.50 1h37 n GLN 26 Cb 0.63 -2.32 0.15 0.00 2.41 0.00 0.00 30.24 31.11 1h37 n GLN 26 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h37 s LYS 27 N -0.72 1.01 0.04 3.69 3.01 0.13 -4.95 119.74 121.95 1h37 s LYS 27 Ca 0.66 -0.11 -0.30 0.00 -1.01 0.00 0.00 55.97 55.21 1h37 s LYS 27 Cb -0.65 -1.86 -0.17 0.00 -1.01 0.00 0.00 37.83 34.14 1h37 s LYS 27 CO 0.53 -2.21 1.41 -0.44 0.51 0.00 0.00 175.35 175.14 1h37 h ASP 28 N -1.50 -0.69 -0.02 2.83 5.19 -1.93 -2.62 116.42 117.68 1h37 h ASP 28 Ca -0.46 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1h37 h ASP 28 Cb 1.29 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.97 1h37 h ASP 28 CO 0.51 -0.39 0.59 -0.33 -3.12 0.00 0.00 179.24 176.49 1h37 h GLU 29 N -0.96 0.00 0.00 3.56 3.07 -1.97 -3.44 114.58 114.84 1h37 h GLU 29 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1h37 h GLU 29 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1h37 h GLU 29 CO 0.14 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.16 1h37 n GLY 30 N -1.33 1.22 3.65 -3.84 0.00 -0.99 -4.75 105.19 99.15 1h37 n GLY 30 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1h37 n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h37 s TYR 31 N -2.00 2.56 0.08 1.61 -0.85 -1.26 -3.44 117.35 114.05 1h37 s TYR 31 Ca 0.00 -0.47 0.05 0.00 -0.52 0.00 0.00 57.07 56.13 1h37 s TYR 31 Cb 0.00 -1.59 -0.04 0.00 0.38 0.00 0.00 41.96 40.72 1h37 s TYR 31 CO 0.00 0.43 -0.03 -1.58 -1.52 0.00 0.00 175.55 172.85 1h37 s TRP 32 N -2.54 2.94 -0.33 -3.49 0.51 -1.26 -0.69 118.94 114.07 1h37 s TRP 32 Ca 0.36 -0.05 0.05 0.00 -2.12 0.00 0.00 56.10 54.35 1h37 s TRP 32 Cb 0.01 -1.53 0.18 0.00 -0.81 0.00 0.00 33.47 31.32 1h37 s TRP 32 CO 0.20 0.46 0.54 -0.46 -0.51 0.00 0.00 176.95 177.17 1h37 s TRP 33 N -1.24 -1.47 0.11 -1.98 -0.00 -1.26 -3.83 118.94 109.27 1h37 s TRP 33 Ca 0.24 0.48 -0.12 0.00 -0.00 0.00 0.00 56.10 56.69 1h37 s TRP 33 Cb -0.11 0.14 -0.06 0.00 -0.00 0.00 0.00 33.47 33.43 1h37 s TRP 33 CO 0.16 -1.08 0.48 0.20 -0.00 0.00 0.00 176.95 176.70 1h37 s GLY 34 N 2.34 2.41 0.48 5.86 0.00 -1.26 -5.01 107.32 112.13 1h37 s GLY 34 Ca 0.12 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.37 1h37 s GLY 34 CO -0.19 0.01 1.24 -4.14 0.00 0.00 0.00 173.10 170.02 1h37 s PRO 35 N -1.92 3.58 -0.21 2.90 0.02 -1.26 -4.54 135.00 133.58 1h37 s PRO 35 Ca 0.35 1.96 -0.11 0.00 0.02 0.00 0.00 61.00 63.23 1h37 s PRO 35 Cb -0.15 -2.40 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 1h37 s PRO 35 CO 0.18 -0.75 0.16 -1.17 -0.33 0.00 0.00 177.00 175.09 1h37 s LEU 36 N -3.12 4.19 -0.11 -5.54 2.96 -1.26 -3.44 118.68 112.35 1h37 s LEU 36 Ca 0.65 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1h37 s LEU 36 Cb -0.33 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1h37 s LEU 36 CO 0.40 0.13 0.07 -0.76 -1.32 0.00 0.00 176.35 174.88 1h37 s LEU 37 N 0.58 4.00 0.00 -0.68 1.02 -0.36 -4.48 118.68 118.76 1h37 s LEU 37 Ca 0.09 0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.55 1h37 s LEU 37 Cb -0.12 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.14 1h37 s LEU 37 CO 0.01 0.39 0.00 -1.54 0.02 0.00 0.00 176.35 175.22 1h37 n SER 38 N 2.11 0.00 -3.54 2.29 3.41 -1.26 0.31 113.62 116.94 1h37 n SER 38 Ca -0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.31 1h37 n SER 38 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1h37 n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h37 s ASN 39 N 1.00 -0.47 0.00 4.04 2.20 -1.26 -4.75 114.94 115.69 1h37 s ASN 39 Ca 0.00 -0.16 0.00 0.00 -0.94 0.00 0.00 52.86 51.76 1h37 s ASN 39 Cb 0.00 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.87 1h37 s ASN 39 CO 0.00 -1.04 0.75 1.33 -2.94 0.00 0.00 177.10 175.20 1h37 n VAL 40 N -0.39 1.13 0.22 3.54 0.24 -1.26 -2.42 118.33 119.39 1h37 n VAL 40 Ca -0.13 0.39 0.06 0.00 -2.04 0.00 0.00 64.34 62.62 1h37 n VAL 40 Cb 0.63 -1.39 0.49 0.00 -1.47 0.00 0.00 33.84 32.10 1h37 n VAL 40 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1h37 h THR 41 N 0.00 0.98 0.75 3.34 1.35 -1.96 0.61 112.91 117.97 1h37 h THR 41 Ca 0.00 -0.97 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1h37 h THR 41 Cb 0.22 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1h37 h THR 41 CO 0.00 0.26 -0.36 0.24 -0.25 0.00 0.00 175.52 175.41 1h37 h MET 42 N 0.00 -0.97 -0.86 4.72 2.86 -1.83 -0.05 114.93 118.81 1h37 h MET 42 Ca -0.00 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1h37 h MET 42 Cb 0.54 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1h37 h MET 42 CO 0.03 -0.64 0.49 0.93 1.06 0.00 0.00 176.91 178.77 1h37 h GLU 43 N -1.06 1.19 -0.51 1.72 3.07 -1.75 -1.83 114.58 115.42 1h37 h GLU 43 Ca -0.10 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 58.57 1h37 h GLU 43 Cb 0.77 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1h37 h GLU 43 CO 0.17 0.86 0.10 0.00 -1.40 0.00 0.00 179.01 178.74 1h37 h ALA 44 N 1.33 0.67 -0.14 3.43 0.00 -0.85 -2.22 119.26 121.48 1h37 h ALA 44 Ca 0.31 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1h37 h ALA 44 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h37 h ALA 44 CO -0.05 0.39 -0.26 0.93 0.00 0.00 0.00 179.25 180.26 1h37 h GLU 45 N 0.71 0.26 -0.56 0.00 5.08 -0.81 -2.75 114.58 116.51 1h37 h GLU 45 Ca 0.16 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1h37 h GLU 45 Cb 0.37 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1h37 h GLU 45 CO 0.01 0.51 0.27 -0.92 -1.00 0.00 0.00 179.01 177.88 1h37 h TYR 46 N 0.23 0.80 -0.85 4.33 5.03 -0.94 0.18 116.97 125.76 1h37 h TYR 46 Ca 0.04 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1h37 h TYR 46 Cb 0.59 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.57 1h37 h TYR 46 CO 0.01 0.62 0.54 0.28 -1.32 0.00 0.00 178.16 178.29 1h37 h VAL 47 N 0.76 1.13 -0.30 1.81 2.07 -1.12 0.12 116.25 120.73 1h37 h VAL 47 Ca 0.19 -0.36 -0.16 0.00 0.82 0.00 0.00 66.70 67.20 1h37 h VAL 47 Cb 0.11 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1h37 h VAL 47 CO -0.03 0.19 -0.44 -0.07 0.02 0.00 0.00 177.57 177.25 1h37 h LEU 48 N 1.06 0.82 -0.67 2.57 3.38 -1.24 -2.14 115.31 119.08 1h37 h LEU 48 Ca 0.34 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h37 h LEU 48 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1h37 h LEU 48 CO -0.12 1.14 0.44 0.25 0.09 0.00 0.00 178.44 180.24 1h37 h LEU 49 N 0.61 0.78 -1.07 1.67 5.85 0.18 -0.68 115.31 122.64 1h37 h LEU 49 Ca 0.04 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1h37 h LEU 49 Cb 1.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1h37 h LEU 49 CO 0.10 0.57 0.34 0.00 -0.34 0.00 0.00 178.44 179.10 1h37 h HIS 51 N 0.99 0.53 0.19 0.00 -0.00 -0.70 0.10 115.15 116.26 1h37 h HIS 51 Ca 0.24 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1h37 h HIS 51 Cb 0.10 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1h37 h HIS 51 CO 0.01 0.62 -0.18 0.82 -0.00 0.00 0.00 177.93 179.19 1h37 h ILE 52 N 0.29 0.60 0.00 6.26 1.08 -0.77 -1.73 117.51 123.24 1h37 h ILE 52 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 1h37 h ILE 52 Cb 0.40 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1h37 h ILE 52 CO 0.01 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.65 1h37 n LEU 53 N -5.31 0.00 -3.94 1.44 4.77 -0.24 -4.88 117.00 108.84 1h37 n LEU 53 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 1h37 n LEU 53 Cb 0.22 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1h37 n LEU 53 CO 0.30 0.00 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.57 1h37 n ASP 54 N -0.78 -1.50 -3.18 -1.43 2.03 -0.54 -4.92 116.55 106.23 1h37 n ASP 54 Ca 0.10 -0.94 -0.23 0.00 0.52 0.00 0.00 54.79 54.25 1h37 n ASP 54 Cb 0.05 -3.32 -0.05 0.00 -0.72 0.00 0.00 41.12 37.08 1h37 n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1h37 n ARG 55 N -4.41 1.49 -3.35 -0.67 1.74 0.24 -5.03 116.66 106.68 1h37 n ARG 55 Ca -0.21 -3.76 -0.39 0.00 -0.77 0.00 0.00 57.85 52.73 1h37 n ARG 55 Cb 0.64 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 1h37 n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h37 s VAL 56 N -2.40 5.17 -0.44 1.55 1.01 -1.26 -4.81 120.40 119.22 1h37 s VAL 56 Ca 0.40 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 63.06 1h37 s VAL 56 Cb 0.26 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1h37 s VAL 56 CO -0.09 0.22 0.29 -0.62 0.00 0.00 0.00 175.10 174.90 1h37 s ASP 57 N 1.12 5.66 0.29 3.32 2.15 -1.26 -4.98 116.67 122.97 1h37 s ASP 57 Ca 0.20 -1.66 -0.03 0.00 0.43 0.00 0.00 52.55 51.50 1h37 s ASP 57 Cb -0.15 -2.00 0.61 0.00 -0.30 0.00 0.00 42.92 41.08 1h37 s ASP 57 CO 0.09 -0.60 1.59 0.03 -0.17 0.00 0.00 175.17 176.11 1h37 h ARG 58 N 8.42 0.03 -0.59 4.34 2.47 -1.99 0.28 114.38 127.34 1h37 h ARG 58 Ca -0.22 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.53 1h37 h ARG 58 Cb 1.08 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.35 1h37 h ARG 58 CO 0.80 0.02 0.35 0.22 0.56 0.00 0.00 179.97 181.91 1h37 h ASP 59 N 0.03 0.55 -0.45 7.04 1.82 -2.01 -2.30 116.42 121.10 1h37 h ASP 59 Ca 0.52 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 57.12 1h37 h ASP 59 Cb 0.99 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.88 1h37 h ASP 59 CO -0.88 0.38 0.05 -0.09 -1.61 0.00 0.00 179.24 177.08 1h37 h ARG 60 N 0.67 0.76 -0.97 0.28 9.65 -0.93 -2.49 114.38 121.34 1h37 h ARG 60 Ca 0.25 -0.21 0.17 0.00 -1.10 0.00 0.00 59.98 59.08 1h37 h ARG 60 Cb 0.07 -0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 28.48 1h37 h ARG 60 CO -0.13 0.79 0.61 0.52 2.80 0.00 0.00 179.97 184.57 1h37 h MET 61 N 0.61 0.73 0.52 0.20 2.86 -0.70 0.32 114.93 119.47 1h37 h MET 61 Ca 0.13 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1h37 h MET 61 Cb 0.42 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1h37 h MET 61 CO 0.01 0.48 -0.25 0.93 1.06 0.00 0.00 176.91 179.14 1h37 h GLU 62 N 0.75 -0.67 -0.43 1.72 4.39 -0.99 0.62 114.58 119.96 1h37 h GLU 62 Ca 0.52 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.33 1h37 h GLU 62 Cb 0.83 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1h37 h GLU 62 CO -0.29 -0.42 0.29 0.87 -1.16 0.00 0.00 179.01 178.30 1h37 h LYS 63 N -0.77 0.33 -0.02 2.33 1.57 -1.03 -0.58 116.57 118.40 1h37 h LYS 63 Ca -0.07 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 1h37 h LYS 63 Cb 0.57 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1h37 h LYS 63 CO 0.12 0.22 -0.68 0.82 -0.57 0.00 0.00 179.45 179.36 1h37 h ILE 64 N 0.34 1.45 -0.22 1.86 2.04 -0.53 -2.29 117.51 120.16 1h37 h ILE 64 Ca 0.19 -2.23 -0.20 0.00 1.00 0.00 0.00 64.86 63.61 1h37 h ILE 64 Cb 0.32 2.19 0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1h37 h ILE 64 CO -0.04 0.65 -0.67 -0.09 0.00 0.00 0.00 178.15 178.00 1h37 h ARG 65 N 0.07 0.83 -0.24 2.37 2.43 0.62 -1.74 114.38 118.72 1h37 h ARG 65 Ca -0.01 -0.61 0.01 0.00 -0.81 0.00 0.00 59.98 58.56 1h37 h ARG 65 Cb 1.20 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1h37 h ARG 65 CO 0.10 1.23 0.15 0.00 -1.51 0.00 0.00 179.97 179.93 1h37 h ARG 66 N 0.59 0.30 -0.07 0.20 3.08 -1.24 -1.53 114.38 115.70 1h37 h ARG 66 Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1h37 h ARG 66 Cb 1.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1h37 h ARG 66 CO 0.14 0.20 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.31 1h37 h TYR 67 N 0.31 -0.02 -0.03 3.04 3.20 -1.46 0.87 116.97 122.89 1h37 h TYR 67 Ca 0.09 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1h37 h TYR 67 Cb -0.02 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1h37 h TYR 67 CO -0.07 -0.02 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.19 1h37 h LEU 68 N 0.02 -0.50 0.04 2.82 3.38 -1.10 -0.67 115.31 119.29 1h37 h LEU 68 Ca 0.03 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h37 h LEU 68 Cb 0.04 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1h37 h LEU 68 CO -0.06 -0.23 -0.02 -0.07 0.09 0.00 0.00 178.44 178.15 1h37 h LEU 69 N -0.26 -0.04 -1.66 1.67 -0.00 -1.17 -2.22 115.31 111.62 1h37 h LEU 69 Ca 0.06 -0.02 0.27 0.00 -0.00 0.00 0.00 57.88 58.19 1h37 h LEU 69 Cb 0.35 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 40.95 1h37 h LEU 69 CO -0.18 -0.01 0.70 -0.74 -0.00 0.00 0.00 178.44 178.21 1h37 h HIS 70 N -0.08 0.36 0.00 1.13 2.76 -0.53 0.51 115.15 119.31 1h37 h HIS 70 Ca -0.01 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.10 1h37 h HIS 70 Cb 0.07 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1h37 h HIS 70 CO -0.07 0.05 -0.73 0.93 -1.30 0.00 0.00 177.93 176.81 1h37 h GLU 71 N 0.23 0.00 -6.97 5.26 4.39 -0.56 -3.46 114.58 113.47 1h37 h GLU 71 Ca 0.53 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.70 1h37 h GLU 71 Cb 1.67 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 30.42 1h37 h GLU 71 CO -0.15 0.24 0.64 -1.14 -1.16 0.00 0.00 179.01 177.43 1h37 s GLN 72 N -3.09 3.79 0.60 2.33 0.74 0.17 -4.85 119.66 119.35 1h37 s GLN 72 Ca 0.02 2.23 0.04 0.00 0.05 0.00 0.00 55.36 57.70 1h37 s GLN 72 Cb 0.08 -2.66 0.08 0.00 1.10 0.00 0.00 33.01 31.60 1h37 s GLN 72 CO 0.76 -0.67 0.83 1.03 -0.55 0.00 0.00 175.29 176.68 1h37 s ARG 73 N -2.40 2.22 0.25 1.67 3.00 0.05 -4.93 118.95 118.82 1h37 s ARG 73 Ca 0.60 -1.18 -0.05 0.00 0.00 0.00 0.00 55.73 55.09 1h37 s ARG 73 Cb -0.40 -2.51 0.49 0.00 0.00 0.00 0.00 34.95 32.53 1h37 s ARG 73 CO 0.51 -0.95 1.63 0.93 0.00 0.00 0.00 175.30 177.42 1h37 h GLU 74 N -0.03 0.11 0.00 3.54 4.39 -1.95 0.44 114.58 121.07 1h37 h GLU 74 Ca -0.37 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1h37 h GLU 74 Cb 1.28 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1h37 h GLU 74 CO 0.44 0.07 0.00 -0.40 -1.16 0.00 0.00 179.01 177.96 1h37 n ASP 75 N -5.34 0.29 0.00 1.42 5.68 -1.26 -4.87 116.55 112.47 1h37 n ASP 75 Ca 0.15 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.01 1h37 n ASP 75 Cb 0.51 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1h37 n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h37 n GLY 76 N -0.08 0.80 3.68 6.12 0.00 0.15 -4.53 105.19 111.34 1h37 n GLY 76 Ca 0.03 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1h37 n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h37 n THR 77 N -2.35 0.00 -4.11 2.61 -2.24 -1.26 -3.60 114.28 103.33 1h37 n THR 77 Ca 0.00 -2.20 -0.14 0.00 -2.27 0.00 0.00 64.05 59.44 1h37 n THR 77 Cb 0.00 0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 1h37 n THR 77 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1h37 s TRP 78 N -2.71 0.62 0.49 4.78 0.51 -1.26 -0.77 118.94 120.60 1h37 s TRP 78 Ca 0.21 -0.35 0.03 0.00 -2.12 0.00 0.00 56.10 53.87 1h37 s TRP 78 Cb -0.02 -0.38 -0.03 0.00 -0.81 0.00 0.00 33.47 32.24 1h37 s TRP 78 CO 0.14 -0.05 0.04 0.00 -0.51 0.00 0.00 176.95 176.57 1h37 s ALA 79 N -0.92 3.91 0.03 0.98 0.00 -1.26 -1.00 121.76 123.49 1h37 s ALA 79 Ca -0.05 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 1h37 s ALA 79 Cb -0.07 -0.02 -0.34 0.00 0.00 0.00 0.00 23.12 22.69 1h37 s ALA 79 CO 0.00 -0.08 1.02 -0.07 0.00 0.00 0.00 175.76 176.63 1h37 h LEU 80 N 1.40 0.83 -9.07 0.00 3.38 -1.90 -3.45 115.31 106.51 1h37 h LEU 80 Ca -0.43 -0.90 -0.51 0.00 0.09 0.00 0.00 57.88 56.13 1h37 h LEU 80 Cb 1.29 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 1h37 h LEU 80 CO 0.74 1.66 -0.72 -0.72 0.09 0.00 0.00 178.44 179.50 1h37 s TYR 81 N -2.70 1.95 0.07 1.13 1.13 -1.26 -4.58 117.35 113.09 1h37 s TYR 81 Ca -0.10 -0.56 -0.31 0.00 -1.41 0.00 0.00 57.07 54.70 1h37 s TYR 81 Cb 0.04 -0.98 -0.08 0.00 -1.10 0.00 0.00 41.96 39.85 1h37 s TYR 81 CO 0.93 0.42 1.53 -1.25 -2.51 0.00 0.00 175.55 174.68 1h37 s PRO 82 N -3.64 4.24 0.00 -3.49 0.04 -1.26 -2.19 135.00 128.70 1h37 s PRO 82 Ca 0.27 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1h37 s PRO 82 Cb 0.00 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1h37 s PRO 82 CO 0.11 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1h37 n GLY 83 N 3.79 0.44 3.88 0.56 0.00 -1.26 -4.82 105.19 107.79 1h37 n GLY 83 Ca 0.14 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1h37 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h37 s GLY 84 N -2.94 1.59 0.78 -0.02 0.00 -0.93 -5.09 107.32 100.71 1h37 s GLY 84 Ca 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 44.72 43.07 1h37 s GLY 84 CO 0.00 -1.48 1.21 2.56 0.00 0.00 0.00 173.10 175.39 1h37 s PRO 85 N -3.99 1.78 0.39 2.90 0.04 -1.26 -4.72 135.00 130.13 1h37 s PRO 85 Ca 0.39 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 1h37 s PRO 85 Cb -0.07 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1h37 s PRO 85 CO 0.27 -2.11 1.40 -1.25 0.04 0.00 0.00 177.00 175.35 1h37 s PRO 86 N -4.07 4.06 -0.17 0.56 0.04 -1.26 -4.49 135.00 129.67 1h37 s PRO 86 Ca 0.74 2.39 -0.04 0.00 0.04 0.00 0.00 61.00 64.12 1h37 s PRO 86 Cb -0.29 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 1h37 s PRO 86 CO 0.49 -0.50 -0.02 0.34 0.04 0.00 0.00 177.00 177.35 1h37 s ASP 87 N -0.40 4.89 0.03 6.66 -1.08 -0.17 -4.97 116.67 121.62 1h37 s ASP 87 Ca 0.54 -0.12 -0.28 0.00 -0.52 0.00 0.00 52.55 52.17 1h37 s ASP 87 Cb -0.43 -1.81 -0.17 0.00 -1.46 0.00 0.00 42.92 39.06 1h37 s ASP 87 CO 0.57 0.15 1.30 0.25 0.52 0.00 0.00 175.17 177.97 1h37 h LEU 88 N 6.83 -0.67 -0.01 -1.34 5.85 -1.94 -1.62 115.31 122.41 1h37 h LEU 88 Ca -0.32 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1h37 h LEU 88 Cb 1.19 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1h37 h LEU 88 CO 0.63 -0.34 -0.43 0.44 -0.34 0.00 0.00 178.44 178.41 1h37 h ASP 89 N -1.01 -1.30 -0.79 1.25 3.32 -1.95 0.31 116.42 116.25 1h37 h ASP 89 Ca -0.08 0.16 0.13 0.00 0.02 0.00 0.00 57.03 57.26 1h37 h ASP 89 Cb 0.66 0.51 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 1h37 h ASP 89 CO 0.13 -0.46 0.52 0.74 -1.72 0.00 0.00 179.24 178.45 1h37 h THR 90 N -0.58 0.85 0.14 0.35 2.02 -1.90 -1.55 112.91 112.25 1h37 h THR 90 Ca 0.05 -0.20 -0.30 0.00 0.77 0.00 0.00 66.41 66.73 1h37 h THR 90 Cb 0.66 0.23 0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1h37 h THR 90 CO -0.32 0.10 -1.26 0.74 0.37 0.00 0.00 175.52 175.15 1h37 h THR 91 N 0.57 1.33 -0.01 3.16 2.02 -0.31 -2.77 112.91 116.90 1h37 h THR 91 Ca 0.38 -2.60 -0.00 0.00 0.77 0.00 0.00 66.41 64.97 1h37 h THR 91 Cb 0.68 2.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1h37 h THR 91 CO -0.15 0.78 0.01 0.40 0.37 0.00 0.00 175.52 176.93 1h37 h ILE 92 N 0.22 1.05 -0.94 3.11 2.04 0.28 0.20 117.51 123.47 1h37 h ILE 92 Ca -0.18 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1h37 h ILE 92 Cb 1.94 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 1h37 h ILE 92 CO 0.23 0.04 0.55 -0.33 0.00 0.00 0.00 178.15 178.65 1h37 h GLU 93 N -0.04 1.28 -0.55 2.37 5.08 -1.41 -1.43 114.58 119.88 1h37 h GLU 93 Ca 0.00 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1h37 h GLU 93 Cb 0.06 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1h37 h GLU 93 CO -0.00 0.91 0.05 0.00 -1.00 0.00 0.00 179.01 178.96 1h37 h ALA 94 N 1.30 0.73 -0.04 3.43 0.00 -1.23 -0.64 119.26 122.81 1h37 h ALA 94 Ca 0.34 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1h37 h ALA 94 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1h37 h ALA 94 CO -0.06 0.52 -0.14 -0.92 0.00 0.00 0.00 179.25 178.65 1h37 h TYR 95 N 0.82 -0.35 -0.64 0.00 3.20 -0.29 0.12 116.97 119.83 1h37 h TYR 95 Ca 0.16 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1h37 h TYR 95 Cb 0.47 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1h37 h TYR 95 CO 0.03 -0.20 0.22 0.28 -1.64 0.00 0.00 178.16 176.85 1h37 h VAL 96 N -0.21 1.25 -0.03 1.81 2.07 -1.20 -1.17 116.25 118.76 1h37 h VAL 96 Ca 0.06 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1h37 h VAL 96 Cb 0.29 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1h37 h VAL 96 CO -0.17 0.32 -0.10 0.00 0.02 0.00 0.00 177.57 177.64 1h37 h ALA 97 N 1.09 -0.09 -0.08 1.67 0.00 -0.59 -1.14 119.26 120.12 1h37 h ALA 97 Ca 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h37 h ALA 97 Cb 0.27 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h37 h ALA 97 CO -0.01 -0.59 0.05 -0.07 0.00 0.00 0.00 179.25 178.63 1h37 h LEU 98 N -0.16 0.09 -1.31 0.00 3.38 -0.84 -1.77 115.31 114.69 1h37 h LEU 98 Ca 0.05 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1h37 h LEU 98 Cb 0.23 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1h37 h LEU 98 CO -0.13 0.11 0.57 0.50 0.09 0.00 0.00 178.44 179.59 1h37 h LYS 99 N 0.06 0.64 -0.33 1.13 3.64 -0.90 -0.22 116.57 120.59 1h37 h LYS 99 Ca 0.03 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1h37 h LYS 99 Cb 0.04 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1h37 h LYS 99 CO -0.01 0.42 -0.45 -0.92 -2.27 0.00 0.00 179.45 176.23 1h37 h TYR 100 N 0.66 1.05 0.00 1.91 5.03 -0.79 -3.06 116.97 121.76 1h37 h TYR 100 Ca 0.45 -0.33 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 1h37 h TYR 100 Cb 0.77 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1h37 h TYR 100 CO -0.00 1.14 -0.26 0.82 -1.32 0.00 0.00 178.16 178.54 1h37 h ILE 101 N 0.69 0.95 0.00 1.81 2.04 -0.20 -3.47 117.51 119.32 1h37 h ILE 101 Ca 0.04 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1h37 h ILE 101 Cb 1.03 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1h37 h ILE 101 CO 0.10 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.12 1h37 n GLY 102 N -0.49 0.68 3.70 5.37 0.00 -0.61 -5.04 105.19 108.81 1h37 n GLY 102 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1h37 n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h37 n MET 103 N 0.00 2.18 -3.63 1.61 2.81 -1.11 -4.98 117.12 114.01 1h37 n MET 103 Ca 0.00 0.77 -0.33 0.00 -1.81 0.00 0.00 57.70 56.33 1h37 n MET 103 Cb 0.00 -2.39 -0.05 0.00 -0.71 0.00 0.00 33.22 30.07 1h37 n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1h37 s SER 104 N -0.09 6.55 0.00 7.83 1.04 -1.26 -4.34 113.70 123.43 1h37 s SER 104 Ca 0.59 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1h37 s SER 104 Cb -0.58 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1h37 s SER 104 CO 0.58 0.10 0.83 -2.11 0.98 0.00 0.00 173.24 173.62 1h37 n ARG 105 N 0.44 0.00 -0.08 4.02 1.85 -1.26 -2.59 116.66 119.04 1h37 n ARG 105 Ca -0.05 0.33 -0.15 0.00 -1.00 0.00 0.00 57.85 56.99 1h37 n ARG 105 Cb 0.52 -1.52 -0.11 0.00 -1.05 0.00 0.00 32.46 30.30 1h37 n ARG 105 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1h37 h ASP 106 N 0.00 0.00 -0.86 2.89 3.32 -1.93 -3.36 116.42 116.48 1h37 h ASP 106 Ca 0.00 -0.73 -0.59 0.00 0.02 0.00 0.00 57.03 55.73 1h37 h ASP 106 Cb 0.04 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.68 1h37 h ASP 106 CO 0.00 1.08 -0.42 -0.62 -1.72 0.00 0.00 179.24 177.57 1h37 n GLU 107 N -4.58 0.00 -0.31 3.56 1.02 -1.07 -4.32 120.64 114.95 1h37 n GLU 107 Ca -0.15 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.93 1h37 n GLU 107 Cb 0.49 -0.90 -0.04 0.00 -0.02 0.00 0.00 31.44 30.97 1h37 n GLU 107 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h37 n GLU 108 N 0.90 -0.28 -0.17 3.49 4.07 -1.26 -1.23 120.64 126.16 1h37 n GLU 108 Ca 0.16 1.17 -0.03 0.00 -0.06 0.00 0.00 57.16 58.40 1h37 n GLU 108 Cb 0.20 -1.72 0.07 0.00 -0.06 0.00 0.00 31.44 29.93 1h37 n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1h37 h PRO 109 N 0.00 0.34 -0.46 5.31 0.11 -1.96 -1.76 132.00 133.58 1h37 h PRO 109 Ca 0.17 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1h37 h PRO 109 Cb 0.37 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1h37 h PRO 109 CO -0.74 0.23 0.03 0.52 -0.21 0.00 0.00 178.00 177.83 1h37 h MET 110 N 0.35 0.73 0.15 1.05 2.86 -1.47 -2.59 114.93 116.01 1h37 h MET 110 Ca 0.25 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1h37 h MET 110 Cb 0.28 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1h37 h MET 110 CO -0.26 0.72 -0.07 1.96 1.06 0.00 0.00 176.91 180.32 1h37 h GLN 111 N 0.69 -0.20 -0.57 1.72 1.08 -0.46 -1.12 115.11 116.26 1h37 h GLN 111 Ca 0.14 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1h37 h GLN 111 Cb 0.38 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1h37 h GLN 111 CO 0.01 -0.05 0.34 0.87 -0.95 0.00 0.00 178.83 179.05 1h37 h LYS 112 N -0.30 0.77 0.35 1.46 1.57 -1.30 -2.41 116.57 116.71 1h37 h LYS 112 Ca -0.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1h37 h LYS 112 Cb 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1h37 h LYS 112 CO 0.03 0.55 -0.17 0.00 -0.57 0.00 0.00 179.45 179.29 1h37 h ALA 113 N 1.17 -0.47 -0.70 3.86 0.00 -1.41 -2.73 119.26 118.97 1h37 h ALA 113 Ca 0.20 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1h37 h ALA 113 Cb -0.02 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 1h37 h ALA 113 CO -0.04 -0.76 0.03 1.25 0.00 0.00 0.00 179.25 179.73 1h37 h LEU 114 N -0.49 -0.27 0.28 0.00 6.46 -1.04 -0.39 115.31 119.86 1h37 h LEU 114 Ca -0.05 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1h37 h LEU 114 Cb 0.37 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1h37 h LEU 114 CO 0.08 -0.13 -0.43 0.03 -0.62 0.00 0.00 178.44 177.37 1h37 h ARG 115 N 0.13 -0.72 -0.91 1.25 2.47 -1.26 0.10 114.38 115.45 1h37 h ARG 115 Ca 0.38 0.05 0.17 0.00 -1.26 0.00 0.00 59.98 59.32 1h37 h ARG 115 Cb 0.65 0.16 -0.10 0.00 -1.65 0.00 0.00 29.97 29.03 1h37 h ARG 115 CO -0.59 -0.48 0.49 0.35 0.56 0.00 0.00 179.97 180.30 1h37 h PHE 116 N -0.75 0.85 -0.43 3.04 3.57 -1.03 0.31 116.94 122.51 1h37 h PHE 116 Ca -0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1h37 h PHE 116 Cb 0.68 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1h37 h PHE 116 CO -0.31 0.17 0.13 0.82 -2.23 0.00 0.00 178.31 176.89 1h37 h ILE 117 N 0.64 1.22 -0.31 1.41 2.04 -0.66 -3.04 117.51 118.81 1h37 h ILE 117 Ca 0.51 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1h37 h ILE 117 Cb 0.79 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1h37 h ILE 117 CO -0.39 0.26 0.00 1.56 0.00 0.00 0.00 178.15 179.59 1h37 h GLN 118 N 0.56 0.55 0.00 2.37 4.20 0.91 -2.07 115.11 121.63 1h37 h GLN 118 Ca 0.14 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1h37 h GLN 118 Cb 0.27 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1h37 h GLN 118 CO -0.00 0.68 0.00 -1.13 -0.67 0.00 0.00 178.83 177.71 1h37 n SER 119 N -4.56 0.00 -0.29 1.46 3.41 0.92 -1.53 113.62 113.03 1h37 n SER 119 Ca -0.02 -0.12 0.04 0.00 -0.26 0.00 0.00 58.87 58.51 1h37 n SER 119 Cb 0.26 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.24 1h37 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h37 n GLN 120 N -0.98 0.26 0.00 4.33 1.13 -0.95 -4.96 117.38 116.21 1h37 n GLN 120 Ca 0.03 -0.91 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 1h37 n GLN 120 Cb 0.01 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.23 1h37 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h37 n GLY 121 N 0.46 0.70 7.00 1.08 0.00 -0.58 -4.42 105.19 109.42 1h37 n GLY 121 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1h37 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 122 N -1.52 -0.35 0.32 -0.02 0.00 -0.82 -3.82 105.19 98.98 1h37 n GLY 122 Ca 0.00 -1.07 0.17 0.00 0.00 0.00 0.00 46.02 45.12 1h37 n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h37 h ILE 123 N 0.00 0.43 0.00 -0.61 2.10 -1.58 -2.33 117.51 115.53 1h37 h ILE 123 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1h37 h ILE 123 Cb 0.00 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1h37 h ILE 123 CO 0.00 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.45 1h37 n GLU 124 N -3.72 0.42 -0.00 2.19 -0.58 -1.25 -2.70 120.64 114.99 1h37 n GLU 124 Ca -0.01 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.87 1h37 n GLU 124 Cb 0.22 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.65 1h37 n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1h37 n SER 125 N -1.20 2.35 -4.87 1.62 7.64 -0.87 -4.44 113.62 113.85 1h37 n SER 125 Ca 0.12 -1.67 -0.30 0.00 1.01 0.00 0.00 58.87 58.02 1h37 n SER 125 Cb 0.14 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 1h37 n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h37 s SER 126 N -1.33 6.44 1.05 6.43 1.04 -1.10 -4.50 113.70 121.73 1h37 s SER 126 Ca 0.19 1.25 -0.12 0.00 0.48 0.00 0.00 55.95 57.75 1h37 s SER 126 Cb 0.13 -2.38 0.20 0.00 0.10 0.00 0.00 66.02 64.07 1h37 s SER 126 CO 0.20 -0.57 0.94 -2.11 0.98 0.00 0.00 173.24 172.68 1h37 n ARG 127 N -1.83 -1.42 -0.10 4.02 1.85 -1.26 -4.75 116.66 113.16 1h37 n ARG 127 Ca 0.04 -0.37 -0.06 0.00 -1.00 0.00 0.00 57.85 56.46 1h37 n ARG 127 Cb 0.54 -2.19 0.01 0.00 -1.05 0.00 0.00 32.46 29.77 1h37 n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h37 h VAL 128 N -2.24 0.69 -0.37 8.89 2.07 -1.91 -2.76 116.25 120.63 1h37 h VAL 128 Ca -0.52 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1h37 h VAL 128 Cb 1.31 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 1h37 h VAL 128 CO 0.44 0.01 -0.16 -0.26 0.02 0.00 0.00 177.57 177.61 1h37 h PHE 129 N 0.05 -0.40 -0.46 1.57 0.04 -1.91 0.22 116.94 116.05 1h37 h PHE 129 Ca 0.17 0.04 0.05 0.00 2.80 0.00 0.00 57.97 61.03 1h37 h PHE 129 Cb 0.25 0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.59 1h37 h PHE 129 CO -0.28 -0.24 0.19 1.15 -0.60 0.00 0.00 178.31 178.53 1h37 h THR 130 N -0.10 0.90 0.00 -1.55 2.02 -1.85 0.31 112.91 112.64 1h37 h THR 130 Ca 0.18 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 1h37 h THR 130 Cb 0.38 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1h37 h THR 130 CO -0.43 0.07 -0.34 0.03 0.37 0.00 0.00 175.52 175.22 1h37 h ARG 131 N 0.38 0.00 -0.11 6.66 3.08 -1.11 -2.22 114.38 121.06 1h37 h ARG 131 Ca 0.21 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 1h37 h ARG 131 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1h37 h ARG 131 CO -0.18 0.34 -0.38 1.98 -1.07 0.00 0.00 179.97 180.66 1h37 h MET 132 N 0.00 0.46 -0.51 0.04 4.05 0.80 -0.06 114.93 119.71 1h37 h MET 132 Ca -0.00 -0.34 0.03 0.00 -0.28 0.00 0.00 59.70 59.10 1h37 h MET 132 Cb 0.65 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 1h37 h MET 132 CO 0.04 0.96 0.30 -1.49 0.23 0.00 0.00 176.91 176.95 1h37 h TRP 133 N 0.04 0.55 -0.29 1.39 4.06 -0.29 0.18 115.95 121.59 1h37 h TRP 133 Ca -0.02 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1h37 h TRP 133 Cb 1.01 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.98 1h37 h TRP 133 CO 0.11 0.31 -0.05 -0.07 -3.56 0.00 0.00 178.44 175.18 1h37 h LEU 134 N 0.59 0.43 -0.86 -4.49 3.38 -1.39 -1.45 115.31 111.51 1h37 h LEU 134 Ca 0.21 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1h37 h LEU 134 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1h37 h LEU 134 CO -0.10 0.53 0.29 0.00 0.09 0.00 0.00 178.44 179.25 1h37 h ALA 135 N 1.52 1.09 -0.17 1.53 0.00 0.27 0.26 119.26 123.75 1h37 h ALA 135 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1h37 h ALA 135 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1h37 h ALA 135 CO 0.02 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.83 1h37 h LEU 136 N 1.09 0.23 -2.23 0.00 3.38 0.39 -1.89 115.31 116.27 1h37 h LEU 136 Ca 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1h37 h LEU 136 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1h37 h LEU 136 CO -0.02 0.28 0.00 1.33 0.09 0.00 0.00 178.44 180.12 1h37 n VAL 137 N -4.38 0.47 -1.06 1.22 0.24 -0.94 -0.28 118.33 113.60 1h37 n VAL 137 Ca -0.00 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1h37 n VAL 137 Cb 0.18 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1h37 n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h37 n GLY 138 N 1.48 0.44 1.53 7.63 0.00 -0.44 -3.43 105.19 112.40 1h37 n GLY 138 Ca 0.19 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.30 1h37 n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h37 n GLU 139 N -2.64 4.16 -3.64 1.61 -0.58 0.78 -4.90 120.64 115.42 1h37 n GLU 139 Ca 0.00 -3.05 -0.06 0.00 -0.42 0.00 0.00 57.16 53.63 1h37 n GLU 139 Cb 0.07 -2.12 -0.07 0.00 -0.57 0.00 0.00 31.44 28.75 1h37 n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1h37 s TYR 140 N -2.81 -0.44 0.16 -0.32 5.04 -1.23 -4.82 117.35 112.93 1h37 s TYR 140 Ca 0.50 1.00 -0.31 0.00 -2.44 0.00 0.00 57.07 55.82 1h37 s TYR 140 Cb 0.39 0.36 -0.09 0.00 0.35 0.00 0.00 41.96 42.97 1h37 s TYR 140 CO 0.13 -0.22 1.49 -1.25 -1.34 0.00 0.00 175.55 174.36 1h37 s PRO 141 N 0.58 4.26 0.41 4.97 0.04 -1.26 -4.14 135.00 139.87 1h37 s PRO 141 Ca -0.00 2.25 0.10 0.00 0.04 0.00 0.00 61.00 63.39 1h37 s PRO 141 Cb -0.04 -3.18 0.88 0.00 0.04 0.00 0.00 34.50 32.20 1h37 s PRO 141 CO -0.10 -0.52 1.99 -1.49 0.04 0.00 0.00 177.00 176.92 1h37 h TRP 142 N 6.52 0.29 -0.31 0.56 4.06 -1.95 -2.67 115.95 122.44 1h37 h TRP 142 Ca -0.43 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 60.60 1h37 h TRP 142 Cb 1.21 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1h37 h TRP 142 CO 0.64 0.30 0.32 0.93 -3.56 0.00 0.00 178.44 177.08 1h37 h GLU 143 N 0.28 0.00 -0.45 0.49 3.07 -2.00 -0.51 114.58 115.47 1h37 h GLU 143 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1h37 h GLU 143 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1h37 h GLU 143 CO 0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 1h37 n LYS 144 N -3.83 2.17 -3.88 2.33 5.02 -1.01 -4.88 118.16 114.07 1h37 n LYS 144 Ca 0.05 -1.80 -0.35 0.00 -2.02 0.00 0.00 58.31 54.19 1h37 n LYS 144 Cb 0.48 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1h37 n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h37 s VAL 145 N -1.41 4.89 -0.03 -0.18 1.01 -0.20 -5.04 120.40 119.44 1h37 s VAL 145 Ca 0.35 0.01 -0.38 0.00 0.00 0.00 0.00 61.98 61.96 1h37 s VAL 145 Cb 0.19 -3.23 -0.16 0.00 0.00 0.00 0.00 36.38 33.17 1h37 s VAL 145 CO 0.25 0.42 1.49 -2.65 0.00 0.00 0.00 175.10 174.61 1h37 n PRO 146 N 3.88 1.21 -2.89 2.72 -0.02 -1.26 -4.90 135.00 133.73 1h37 n PRO 146 Ca -0.16 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 1h37 n PRO 146 Cb 0.52 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1h37 n PRO 146 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1h37 s MET 147 N 1.53 4.66 -0.21 -0.52 1.75 -1.26 -4.81 119.30 120.44 1h37 s MET 147 Ca 0.89 1.27 -0.04 0.00 -1.25 0.00 0.00 55.69 56.56 1h37 s MET 147 Cb -0.97 -3.22 0.07 0.00 2.84 0.00 0.00 34.83 33.54 1h37 s MET 147 CO 0.52 0.53 0.08 0.08 -0.65 0.00 0.00 175.02 175.58 1h37 s VAL 148 N -1.21 0.16 0.42 10.11 1.01 -1.26 -4.90 120.40 124.73 1h37 s VAL 148 Ca 0.39 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1h37 s VAL 148 Cb -0.24 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1h37 s VAL 148 CO 0.28 -0.37 0.89 -2.16 0.00 0.00 0.00 175.10 173.74 1h37 s PRO 149 N 2.02 4.07 0.42 2.72 0.04 -1.26 -4.28 135.00 138.73 1h37 s PRO 149 Ca 0.03 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.07 1h37 s PRO 149 Cb -0.16 -2.25 0.91 0.00 0.04 0.00 0.00 34.50 33.03 1h37 s PRO 149 CO -0.15 -0.04 2.06 -1.35 0.04 0.00 0.00 177.00 177.56 1h37 h PRO 150 N 1.71 0.48 0.00 0.56 0.11 -1.91 -2.05 132.00 130.90 1h37 h PRO 150 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1h37 h PRO 150 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1h37 h PRO 150 CO 0.62 0.32 0.27 0.93 -0.21 0.00 0.00 178.00 179.93 1h37 h GLU 151 N 0.50 0.00 0.00 1.05 3.07 -1.93 0.12 114.58 117.39 1h37 h GLU 151 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1h37 h GLU 151 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1h37 h GLU 151 CO -0.03 0.00 0.05 0.97 -1.40 0.00 0.00 179.01 178.60 1h37 h ILE 152 N 0.00 0.00 0.00 3.13 2.10 -1.76 0.47 117.51 121.45 1h37 h ILE 152 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1h37 h ILE 152 Cb 0.54 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1h37 h ILE 152 CO 0.00 0.00 0.00 0.24 -1.08 0.00 0.00 178.15 177.31 1h37 h MET 153 N 0.00 0.00 0.00 2.19 2.86 -1.00 -2.94 114.93 116.04 1h37 h MET 153 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1h37 h MET 153 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1h37 h MET 153 CO 0.00 0.00 -0.78 0.74 1.06 0.00 0.00 176.91 177.93 1h37 h PHE 154 N 0.00 0.00 -2.10 -0.22 0.04 -1.12 -3.47 116.94 110.08 1h37 h PHE 154 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 1h37 h PHE 154 Cb 0.31 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.52 1h37 h PHE 154 CO 0.00 0.57 0.64 1.28 -0.60 0.00 0.00 178.31 180.21 1h37 n LEU 155 N -3.16 2.54 -4.81 1.54 4.77 -1.11 -4.95 117.00 111.83 1h37 n LEU 155 Ca -0.01 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.77 1h37 n LEU 155 Cb 0.78 -1.34 0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1h37 n LEU 155 CO 0.42 -0.61 0.71 -0.83 -1.33 0.00 0.00 177.39 175.76 1h37 s GLY 156 N 0.67 1.62 0.34 -0.72 0.00 -1.26 -4.74 107.32 103.23 1h37 s GLY 156 Ca 0.79 -0.22 0.13 0.00 0.00 0.00 0.00 44.72 45.43 1h37 s GLY 156 CO 0.42 0.21 1.59 0.50 0.00 0.00 0.00 173.10 175.82 1h37 h LYS 157 N -1.08 0.03 -3.09 2.90 1.57 -2.00 -2.95 116.57 111.96 1h37 h LYS 157 Ca -0.47 -0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 1h37 h LYS 157 Cb 1.27 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 1h37 h LYS 157 CO 0.60 0.02 -0.41 2.89 -0.57 0.00 0.00 179.45 181.98 1h37 n ARG 158 N -5.32 2.17 -3.66 3.15 0.00 -1.26 -4.90 116.66 106.84 1h37 n ARG 158 Ca 0.32 -4.51 -0.15 0.00 -0.00 0.00 0.00 57.85 53.51 1h37 n ARG 158 Cb 1.06 -2.33 -0.08 0.00 -0.00 0.00 0.00 32.46 31.12 1h37 n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1h37 s MET 159 N -1.54 0.82 0.17 2.89 -1.94 -1.12 -5.10 119.30 113.48 1h37 s MET 159 Ca 0.27 0.07 -0.34 0.00 -1.71 0.00 0.00 55.69 53.99 1h37 s MET 159 Cb -0.04 0.38 -0.14 0.00 2.01 0.00 0.00 34.83 37.04 1h37 s MET 159 CO -0.14 -0.23 1.47 -0.35 -0.01 0.00 0.00 175.02 175.76 1h37 n PRO 160 N 1.27 1.90 -1.37 2.03 -0.04 -1.26 -2.11 135.00 135.42 1h37 n PRO 160 Ca -0.20 0.68 -0.13 0.00 -0.04 0.00 0.00 63.50 63.82 1h37 n PRO 160 Cb 0.56 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.58 1h37 n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1h37 n LEU 161 N 2.86 -0.73 -4.76 1.53 4.77 -1.26 -4.99 117.00 114.42 1h37 n LEU 161 Ca 0.16 0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 56.11 1h37 n LEU 161 Cb 0.28 -2.31 0.06 0.00 -2.33 0.00 0.00 43.42 39.11 1h37 n LEU 161 CO 0.63 -0.85 0.76 0.54 -1.33 0.00 0.00 177.39 177.14 1h37 s ASN 162 N -2.63 4.89 0.04 -1.43 2.20 -0.90 -4.85 114.94 112.25 1h37 s ASN 162 Ca 0.00 2.13 0.02 0.00 -0.94 0.00 0.00 52.86 54.08 1h37 s ASN 162 Cb 0.00 -2.57 0.13 0.00 -2.00 0.00 0.00 41.25 36.81 1h37 s ASN 162 CO 0.00 -1.79 1.05 2.30 -2.94 0.00 0.00 177.10 175.73 1h37 n ILE 163 N -2.39 1.82 0.34 0.54 -5.35 -1.26 -1.55 119.36 111.51 1h37 n ILE 163 Ca 0.11 0.53 0.09 0.00 -0.27 0.00 0.00 62.75 63.21 1h37 n ILE 163 Cb 0.51 -1.53 0.25 0.00 -1.74 0.00 0.00 39.64 37.13 1h37 n ILE 163 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1h37 n TYR 164 N -1.57 0.68 0.72 4.28 4.01 -1.26 -3.44 117.16 120.57 1h37 n TYR 164 Ca -0.00 -0.34 0.11 0.00 -0.16 0.00 0.00 57.90 57.51 1h37 n TYR 164 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1h37 n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h37 n GLU 165 N 1.06 0.19 -3.11 -0.72 1.02 -0.60 -4.92 120.64 113.57 1h37 n GLU 165 Ca 0.18 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 57.05 1h37 n GLU 165 Cb 0.46 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1h37 n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1h37 s PHE 166 N -3.14 3.48 0.55 -0.32 0.40 -1.22 -4.60 117.98 113.13 1h37 s PHE 166 Ca 0.05 0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 56.67 1h37 s PHE 166 Cb 0.15 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1h37 s PHE 166 CO 0.83 -0.06 1.08 0.20 0.70 0.00 0.00 175.22 177.97 1h37 s GLY 167 N -4.08 2.42 0.26 4.36 0.00 0.88 -4.72 107.32 106.43 1h37 s GLY 167 Ca 0.43 0.63 -0.06 0.00 0.00 0.00 0.00 44.72 45.72 1h37 s GLY 167 CO 0.39 0.96 1.61 1.48 0.00 0.00 0.00 173.10 177.55 1h37 h SER 168 N 0.97 -0.46 -0.11 1.64 4.64 -1.95 0.11 113.55 118.39 1h37 h SER 168 Ca -0.49 0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1h37 h SER 168 Cb 1.24 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 1h37 h SER 168 CO 0.57 -0.23 -0.04 4.11 -0.87 0.00 0.00 176.83 180.37 1h37 h TRP 169 N 0.06 0.36 0.16 4.77 0.09 -1.96 -3.00 115.95 116.44 1h37 h TRP 169 Ca 0.44 -0.03 -0.31 0.00 0.09 0.00 0.00 58.89 59.08 1h37 h TRP 169 Cb 0.78 -0.11 0.01 0.00 0.08 0.00 0.00 29.16 29.92 1h37 h TRP 169 CO -0.49 0.40 -1.44 0.00 0.09 0.00 0.00 178.44 177.00 1h37 h ALA 170 N 1.63 0.09 -0.05 0.11 0.00 -1.38 -3.34 119.26 116.32 1h37 h ALA 170 Ca 0.07 -0.97 0.02 0.00 0.00 0.00 0.00 54.91 54.03 1h37 h ALA 170 Cb 0.29 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1h37 h ALA 170 CO 0.01 0.96 -0.43 -0.09 0.00 0.00 0.00 179.25 179.71 1h37 h ARG 171 N 0.09 -0.48 -0.81 0.00 2.43 -0.73 -0.52 114.38 114.37 1h37 h ARG 171 Ca -0.22 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1h37 h ARG 171 Cb 2.05 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 31.66 1h37 h ARG 171 CO 0.21 -0.32 0.53 0.00 -1.51 0.00 0.00 179.97 178.88 1h37 h ALA 172 N -0.61 1.59 -0.73 2.80 0.00 -1.74 -1.56 119.26 119.01 1h37 h ALA 172 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1h37 h ALA 172 Cb 0.55 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1h37 h ALA 172 CO -0.31 0.29 0.27 1.15 0.00 0.00 0.00 179.25 180.65 1h37 h THR 173 N 0.91 1.25 0.01 0.00 2.02 -1.56 -1.46 112.91 114.09 1h37 h THR 173 Ca 0.35 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1h37 h THR 173 Cb 0.20 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1h37 h THR 173 CO -0.12 0.33 -0.00 0.58 0.37 0.00 0.00 175.52 176.68 1h37 h VAL 174 N 1.06 1.11 -0.47 3.16 2.07 -0.18 -0.89 116.25 122.12 1h37 h VAL 174 Ca 0.24 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1h37 h VAL 174 Cb 0.24 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1h37 h VAL 174 CO -0.02 0.10 0.23 0.58 0.02 0.00 0.00 177.57 178.48 1h37 h VAL 175 N -0.17 0.96 -0.38 2.57 2.07 -1.20 0.54 116.25 120.64 1h37 h VAL 175 Ca -0.00 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1h37 h VAL 175 Cb 0.17 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1h37 h VAL 175 CO 0.00 0.08 0.02 0.00 0.02 0.00 0.00 177.57 177.70 1h37 h ALA 176 N 1.25 0.51 0.00 1.67 0.00 -1.21 -3.06 119.26 118.42 1h37 h ALA 176 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1h37 h ALA 176 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h37 h ALA 176 CO -0.15 0.26 -0.40 -0.07 0.00 0.00 0.00 179.25 178.89 1h37 h LEU 177 N 0.48 0.00 -1.64 0.00 3.38 -0.81 -2.76 115.31 113.97 1h37 h LEU 177 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h37 h LEU 177 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1h37 h LEU 177 CO 0.02 0.40 0.21 0.77 0.09 0.00 0.00 178.44 179.92 1h37 h SER 178 N 0.00 0.39 -0.16 -0.43 4.64 -0.79 0.60 113.55 117.80 1h37 h SER 178 Ca -0.00 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1h37 h SER 178 Cb 0.78 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1h37 h SER 178 CO 0.05 0.30 -0.75 0.40 -0.87 0.00 0.00 176.83 175.96 1h37 h ILE 179 N 0.46 1.28 -0.06 0.95 2.04 -1.54 -1.58 117.51 119.05 1h37 h ILE 179 Ca 0.12 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 1h37 h ILE 179 Cb -0.02 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1h37 h ILE 179 CO -0.02 0.62 -0.00 0.58 0.00 0.00 0.00 178.15 179.32 1h37 h VAL 180 N 0.54 1.25 0.00 1.67 2.07 -1.13 -2.72 116.25 117.92 1h37 h VAL 180 Ca -0.05 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1h37 h VAL 180 Cb 1.38 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1h37 h VAL 180 CO 0.16 0.21 0.00 0.24 0.02 0.00 0.00 177.57 178.20 1h37 h MET 181 N -0.18 0.00 -0.28 1.57 2.86 0.10 0.19 114.93 119.17 1h37 h MET 181 Ca 0.02 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 1h37 h MET 181 Cb 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1h37 h MET 181 CO 0.00 0.00 -0.50 1.03 1.06 0.00 0.00 176.91 178.51 1h37 h SER 182 N 0.00 0.86 0.01 1.22 0.87 -0.97 -3.25 113.55 112.29 1h37 h SER 182 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1h37 h SER 182 Cb 0.41 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1h37 h SER 182 CO 0.00 1.20 -1.44 0.54 -0.53 0.00 0.00 176.83 176.60 1h37 n ARG 183 N -4.01 0.30 -3.48 2.24 5.12 -0.95 -5.02 116.66 110.85 1h37 n ARG 183 Ca -0.03 -0.09 -0.24 0.00 -1.93 0.00 0.00 57.85 55.56 1h37 n ARG 183 Cb 0.59 -1.51 0.01 0.00 -1.16 0.00 0.00 32.46 30.39 1h37 n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1h37 n GLN 184 N -1.84 -1.38 -2.47 5.56 6.02 0.61 -4.91 117.38 118.96 1h37 n GLN 184 Ca 0.00 0.76 -0.31 0.00 -0.01 0.00 0.00 57.00 57.45 1h37 n GLN 184 Cb 0.44 -1.81 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1h37 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h37 s PRO 185 N -3.91 3.77 -0.08 -1.09 0.04 -1.26 -5.09 135.00 127.38 1h37 s PRO 185 Ca 0.08 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 1h37 s PRO 185 Cb -0.01 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1h37 s PRO 185 CO 0.75 -0.24 0.02 0.08 0.04 0.00 0.00 177.00 177.65 1h37 s VAL 186 N -2.67 0.28 -0.65 -0.36 1.01 -1.26 -4.55 120.40 112.20 1h37 s VAL 186 Ca 0.54 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 1h37 s VAL 186 Cb -0.10 -0.50 0.17 0.00 0.00 0.00 0.00 36.38 35.95 1h37 s VAL 186 CO 0.37 0.20 0.47 -0.36 0.00 0.00 0.00 175.10 175.78 1h37 s PHE 187 N 2.01 3.43 0.22 5.22 0.08 0.61 -4.95 117.98 124.59 1h37 s PHE 187 Ca 0.04 -2.71 -0.31 0.00 0.12 0.00 0.00 56.93 54.07 1h37 s PHE 187 Cb -0.13 -3.22 -0.15 0.00 -0.57 0.00 0.00 43.02 38.96 1h37 s PHE 187 CO -0.05 -0.84 1.20 -2.30 -0.10 0.00 0.00 175.22 173.13 1h37 n PRO 188 N 3.42 1.46 -3.13 0.24 -0.02 -1.25 -4.22 135.00 131.50 1h37 n PRO 188 Ca 0.09 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 1h37 n PRO 188 Cb 0.38 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1h37 n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h37 s LEU 189 N 0.43 3.97 0.63 2.45 1.43 -1.22 -5.05 118.68 121.32 1h37 s LEU 189 Ca 0.69 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.56 1h37 s LEU 189 Cb -0.76 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1h37 s LEU 189 CO 0.53 -0.27 1.13 -2.16 0.23 0.00 0.00 176.35 175.81 1h37 s PRO 190 N -3.60 2.90 0.31 1.29 0.04 -1.26 -4.81 135.00 129.87 1h37 s PRO 190 Ca 0.48 1.51 0.07 0.00 0.04 0.00 0.00 61.00 63.10 1h37 s PRO 190 Cb -0.11 -1.95 0.86 0.00 0.04 0.00 0.00 34.50 33.34 1h37 s PRO 190 CO 0.29 -1.20 1.67 0.93 0.04 0.00 0.00 177.00 178.73 1h37 h GLU 191 N 0.36 0.30 -0.47 4.56 3.07 -1.98 0.17 114.58 120.59 1h37 h GLU 191 Ca -0.48 -0.02 0.14 0.00 -0.50 0.00 0.00 59.36 58.50 1h37 h GLU 191 Cb 1.26 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 1h37 h GLU 191 CO 0.54 0.20 0.54 -0.09 -1.40 0.00 0.00 179.01 178.80 1h37 h ARG 192 N 0.31 0.00 -0.01 2.33 2.43 -1.98 -2.01 114.38 115.45 1h37 h ARG 192 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1h37 h ARG 192 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1h37 h ARG 192 CO -0.60 0.00 -0.01 0.00 -1.51 0.00 0.00 179.97 177.85 1h37 n ALA 193 N -2.31 2.50 -1.67 2.80 0.00 0.57 -4.94 120.51 117.46 1h37 n ALA 193 Ca 0.09 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 1h37 n ALA 193 Cb 0.72 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 1h37 n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h37 n ARG 194 N 0.58 1.91 -2.53 0.00 5.12 -0.76 -4.80 116.66 116.18 1h37 n ARG 194 Ca 0.06 0.67 -0.27 0.00 -1.93 0.00 0.00 57.85 56.38 1h37 n ARG 194 Cb 0.27 -2.20 -0.00 0.00 -1.16 0.00 0.00 32.46 29.36 1h37 n ARG 194 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1h37 n VAL 195 N 0.28 2.47 -0.14 1.55 0.24 -1.26 -4.85 118.33 116.62 1h37 n VAL 195 Ca 0.06 -5.02 0.11 0.00 -2.04 0.00 0.00 64.34 57.45 1h37 n VAL 195 Cb 0.35 -1.29 0.44 0.00 -1.47 0.00 0.00 33.84 31.88 1h37 n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1h37 h PRO 196 N 2.63 0.53 0.00 7.34 0.13 -1.95 -1.64 132.00 139.04 1h37 h PRO 196 Ca 0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1h37 h PRO 196 Cb 0.86 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1h37 h PRO 196 CO 0.85 0.35 0.44 1.05 -0.23 0.00 0.00 178.00 180.46 1h37 h GLU 197 N 0.55 0.00 0.00 0.86 9.09 -1.97 0.33 114.58 123.44 1h37 h GLU 197 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 1h37 h GLU 197 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1h37 h GLU 197 CO -0.10 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.24 1h37 n LEU 198 N -2.33 0.17 -0.08 3.06 4.77 -0.62 -2.59 117.00 119.38 1h37 n LEU 198 Ca -0.01 0.54 -0.07 0.00 -0.03 0.00 0.00 56.01 56.44 1h37 n LEU 198 Cb 0.47 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.89 1h37 n LEU 198 CO 0.07 -0.30 -1.03 -1.22 -1.33 0.00 0.00 177.39 173.58 1h37 n TYR 199 N -1.68 0.11 -1.63 -1.77 4.01 0.12 -1.54 117.16 114.77 1h37 n TYR 199 Ca 0.04 0.04 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 1h37 n TYR 199 Cb 0.20 -0.95 -0.10 0.00 -0.31 0.00 0.00 39.34 38.18 1h37 n TYR 199 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1h37 s GLU 200 N -2.65 1.31 -0.06 -0.72 2.02 -1.07 -4.83 118.70 112.70 1h37 s GLU 200 Ca -0.09 -0.34 -0.20 0.00 0.02 0.00 0.00 54.97 54.36 1h37 s GLU 200 Cb 0.07 -4.97 0.04 0.00 0.10 0.00 0.00 34.13 29.38 1h37 s GLU 200 CO 0.84 -5.26 0.47 0.99 0.02 0.00 0.00 175.26 172.31 1h37 s THR 201 N 16.35 0.03 -0.17 3.63 2.01 -1.26 -4.90 115.64 131.32 1h37 s THR 201 Ca 0.82 -0.22 0.15 0.00 0.31 0.00 0.00 61.69 62.75 1h37 s THR 201 Cb -0.06 -0.75 -0.24 0.00 0.01 0.00 0.00 72.50 71.46 1h37 s THR 201 CO 0.16 -0.12 0.18 -0.90 -0.69 0.00 0.00 174.62 173.25 1h37 n ASP 202 N 1.51 0.44 -4.54 3.53 5.75 -1.26 -4.97 116.55 117.02 1h37 n ASP 202 Ca -0.19 0.08 -0.46 0.00 -0.01 0.00 0.00 54.79 54.22 1h37 n ASP 202 Cb 0.56 0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 41.21 1h37 n ASP 202 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1h37 n VAL 203 N -2.88 1.89 -2.17 2.12 0.31 -1.26 -4.86 118.33 111.48 1h37 n VAL 203 Ca -0.31 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.13 1h37 n VAL 203 Cb 1.12 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 33.32 1h37 n VAL 203 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1h37 s PRO 204 N -1.29 4.34 0.05 5.55 0.04 -1.26 -4.53 135.00 137.90 1h37 s PRO 204 Ca 0.62 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 1h37 s PRO 204 Cb -0.78 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 30.45 1h37 s PRO 204 CO 0.58 -0.38 1.81 -1.25 0.04 0.00 0.00 177.00 177.80 1h37 s PRO 205 N 0.61 4.16 -0.71 0.56 0.04 -1.26 -4.59 135.00 133.80 1h37 s PRO 205 Ca 0.62 2.48 -0.10 0.00 0.04 0.00 0.00 61.00 64.04 1h37 s PRO 205 Cb -0.37 -3.85 0.19 0.00 0.04 0.00 0.00 34.50 30.51 1h37 s PRO 205 CO 0.34 -0.86 0.60 -0.98 0.04 0.00 0.00 177.00 176.15 1h37 s ARG 206 N 3.49 3.12 0.11 4.56 1.70 -1.26 -4.97 118.95 125.70 1h37 s ARG 206 Ca 0.81 -2.40 -0.27 0.00 -0.47 0.00 0.00 55.73 53.40 1h37 s ARG 206 Cb -0.41 -4.14 -0.07 0.00 -0.57 0.00 0.00 34.95 29.77 1h37 s ARG 206 CO 0.36 -1.24 0.85 0.50 -1.08 0.00 0.00 175.30 174.68 1h37 s ARG 207 N 0.25 4.61 0.24 3.89 3.52 -1.26 -4.61 118.95 125.59 1h37 s ARG 207 Ca 0.16 1.25 -0.30 0.00 -0.13 0.00 0.00 55.73 56.71 1h37 s ARG 207 Cb -0.16 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.81 1h37 s ARG 207 CO -0.06 0.35 0.95 0.50 -0.81 0.00 0.00 175.30 176.24 1h37 s ARG 208 N -0.41 4.84 0.55 5.12 3.52 -1.26 -5.06 118.95 126.25 1h37 s ARG 208 Ca 0.41 1.51 0.08 0.00 -0.13 0.00 0.00 55.73 57.59 1h37 s ARG 208 Cb -0.23 -3.28 0.06 0.00 -1.56 0.00 0.00 34.95 29.94 1h37 s ARG 208 CO 0.27 0.49 0.59 0.20 -0.81 0.00 0.00 175.30 176.03 1h37 s GLY 209 N -1.11 2.06 0.26 8.12 0.00 -1.26 -4.99 107.32 110.39 1h37 s GLY 209 Ca 0.41 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.13 1h37 s GLY 209 CO 0.32 -1.81 1.28 0.00 0.00 0.00 0.00 173.10 172.90 1h37 n ALA 210 N -1.98 0.61 -0.22 3.20 0.00 -1.26 -4.63 120.51 116.23 1h37 n ALA 210 Ca 0.07 0.41 0.21 0.00 0.00 0.00 0.00 53.44 54.13 1h37 n ALA 210 Cb 0.63 -2.19 0.39 0.00 0.00 0.00 0.00 19.45 18.28 1h37 n ALA 210 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h37 n LYS 211 N 1.50 -0.04 -0.28 0.00 4.76 -0.81 -0.84 118.16 122.44 1h37 n LYS 211 Ca 0.11 0.96 0.08 0.00 -2.87 0.00 0.00 58.31 56.58 1h37 n LYS 211 Cb 0.31 -1.70 0.18 0.00 -1.84 0.00 0.00 35.03 31.98 1h37 n LYS 211 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h37 n GLY 212 N -1.19 4.72 0.00 0.72 0.00 -0.76 -5.07 105.19 103.62 1h37 n GLY 212 Ca 0.26 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1h37 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 213 N -1.16 1.16 3.47 -0.02 0.00 -0.02 -4.90 105.19 103.73 1h37 n GLY 213 Ca 0.19 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1h37 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h37 s GLY 214 N -0.43 1.78 0.22 -0.02 0.00 -1.26 -4.48 107.32 103.14 1h37 s GLY 214 Ca 0.00 -1.09 -0.28 0.00 0.00 0.00 0.00 44.72 43.35 1h37 s GLY 214 CO 0.00 0.49 0.88 -0.32 0.00 0.00 0.00 173.10 174.15 1h37 s GLY 215 N 1.50 3.01 0.49 0.20 0.00 -1.26 -4.91 107.32 106.35 1h37 s GLY 215 Ca 0.06 0.51 0.21 0.00 0.00 0.00 0.00 44.72 45.50 1h37 s GLY 215 CO 0.04 1.04 1.60 0.11 0.00 0.00 0.00 173.10 175.89 1h37 h TRP 216 N 4.12 0.00 0.44 1.90 5.08 -1.99 -1.74 115.95 123.77 1h37 h TRP 216 Ca -0.46 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.49 1h37 h TRP 216 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1h37 h TRP 216 CO 0.62 0.00 -0.21 0.82 -1.28 0.00 0.00 178.44 178.39 1h37 h ILE 217 N 0.00 0.50 -0.43 0.12 5.03 -1.99 -0.92 117.51 119.83 1h37 h ILE 217 Ca 0.00 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 1h37 h ILE 217 Cb 0.62 0.67 -0.02 0.00 -3.03 0.00 0.00 36.82 35.06 1h37 h ILE 217 CO 0.00 0.07 0.28 -0.26 -0.68 0.00 0.00 178.15 177.55 1h37 h PHE 218 N -0.85 0.54 -0.52 1.37 0.04 -1.68 0.50 116.94 116.34 1h37 h PHE 218 Ca -0.06 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.82 1h37 h PHE 218 Cb 0.56 -0.18 -0.09 0.00 2.20 0.00 0.00 35.95 38.44 1h37 h PHE 218 CO 0.01 0.35 -0.03 0.22 -0.60 0.00 0.00 178.31 178.26 1h37 h ASP 219 N 0.58 -0.29 0.25 2.17 3.58 -1.51 0.30 116.42 121.49 1h37 h ASP 219 Ca 0.16 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1h37 h ASP 219 Cb -0.05 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1h37 h ASP 219 CO -0.03 -0.10 -0.12 0.00 -2.88 0.00 0.00 179.24 176.10 1h37 h ALA 220 N 1.48 -0.33 -1.01 -0.78 0.00 -0.17 -2.63 119.26 115.82 1h37 h ALA 220 Ca 0.26 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.24 1h37 h ALA 220 Cb 0.40 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 1h37 h ALA 220 CO -0.46 -0.62 0.61 1.25 0.00 0.00 0.00 179.25 180.03 1h37 h LEU 221 N -0.47 0.78 0.28 0.00 5.85 0.81 0.25 115.31 122.81 1h37 h LEU 221 Ca -0.03 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1h37 h LEU 221 Cb 0.36 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1h37 h LEU 221 CO 0.06 0.26 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.51 1h37 h ASP 222 N 0.75 -0.32 -0.92 1.25 3.58 -0.27 0.23 116.42 120.73 1h37 h ASP 222 Ca 0.59 -0.07 0.08 0.00 0.42 0.00 0.00 57.03 58.05 1h37 h ASP 222 Cb 0.93 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.99 1h37 h ASP 222 CO -0.39 -0.13 0.59 0.03 -2.88 0.00 0.00 179.24 176.47 1h37 h ARG 223 N -0.49 0.96 0.54 0.28 3.08 -0.87 0.14 114.38 118.02 1h37 h ARG 223 Ca -0.04 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1h37 h ARG 223 Cb 0.37 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1h37 h ARG 223 CO 0.06 0.63 -0.26 0.00 -1.07 0.00 0.00 179.97 179.34 1h37 h ALA 224 N 1.52 -0.73 -0.70 0.04 0.00 -0.12 -2.26 119.26 117.01 1h37 h ALA 224 Ca 0.41 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1h37 h ALA 224 Cb 0.30 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1h37 h ALA 224 CO -0.17 -0.86 0.47 -0.07 0.00 0.00 0.00 179.25 178.62 1h37 h LEU 225 N -0.82 0.49 -1.00 0.00 3.38 0.57 -0.03 115.31 117.91 1h37 h LEU 225 Ca -0.07 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1h37 h LEU 225 Cb 0.60 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1h37 h LEU 225 CO 0.12 0.29 -0.32 0.45 0.09 0.00 0.00 178.44 179.07 1h37 h HIS 226 N 0.54 0.00 0.17 1.13 3.86 -0.59 -0.93 115.15 119.32 1h37 h HIS 226 Ca 0.33 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.30 1h37 h HIS 226 Cb 0.56 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.05 1h37 h HIS 226 CO -0.00 0.32 -1.10 0.78 0.86 0.00 0.00 177.93 178.78 1h37 h GLY 227 N 2.07 0.40 1.21 2.45 0.00 -0.49 -3.22 103.07 105.49 1h37 h GLY 227 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 47.33 46.34 1h37 h GLY 227 CO 0.04 0.90 0.44 -1.82 0.00 0.00 0.00 176.54 176.10 1h37 h TYR 228 N -0.23 0.75 -0.68 5.60 3.20 -0.96 0.29 116.97 124.94 1h37 h TYR 228 Ca -0.20 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.74 1h37 h TYR 228 Cb 1.80 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.78 1h37 h TYR 228 CO 0.17 0.43 0.45 0.37 -1.64 0.00 0.00 178.16 177.94 1h37 h GLN 229 N 0.77 0.72 0.00 1.82 5.75 -1.21 -1.98 115.11 120.99 1h37 h GLN 229 Ca 0.27 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1h37 h GLN 229 Cb 0.11 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.49 1h37 h GLN 229 CO -0.08 0.48 0.00 1.63 -2.65 0.00 0.00 178.83 178.21 1h37 n LYS 230 N -4.47 0.10 -0.70 1.69 5.02 0.08 -4.87 118.16 115.01 1h37 n LYS 230 Ca 0.09 0.20 -0.29 0.00 -2.02 0.00 0.00 58.31 56.29 1h37 n LYS 230 Cb 0.19 -1.65 0.21 0.00 -0.02 0.00 0.00 35.03 33.76 1h37 n LYS 230 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h37 s LEU 231 N -3.65 1.59 0.22 -0.35 1.43 -0.74 -4.95 118.68 112.22 1h37 s LEU 231 Ca 0.09 1.68 0.23 0.00 -1.03 0.00 0.00 54.13 55.11 1h37 s LEU 231 Cb 0.13 -3.79 0.17 0.00 0.03 0.00 0.00 46.19 42.73 1h37 s LEU 231 CO 0.45 -3.66 1.23 -1.28 0.23 0.00 0.00 176.35 173.32 1h37 h SER 232 N -2.25 0.00 -2.86 2.29 0.87 -1.89 -3.45 113.55 106.25 1h37 h SER 232 Ca -0.55 -0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 59.75 1h37 h SER 232 Cb 1.31 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.95 1h37 h SER 232 CO 0.49 0.03 -0.52 0.68 -0.53 0.00 0.00 176.83 176.97 1h37 s VAL 233 N -3.28 -0.42 -0.43 2.23 -7.23 -1.26 -5.10 120.40 104.92 1h37 s VAL 233 Ca 0.03 0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1h37 s VAL 233 Cb 0.10 -0.45 0.12 0.00 0.56 0.00 0.00 36.38 36.70 1h37 s VAL 233 CO 0.75 0.11 0.19 -1.00 -0.31 0.00 0.00 175.10 174.84 1h37 s HIS 234 N 2.40 3.58 0.36 2.82 0.09 -1.26 -5.09 115.29 118.19 1h37 s HIS 234 Ca 0.01 -2.72 -0.28 0.00 -0.00 0.00 0.00 55.06 52.07 1h37 s HIS 234 Cb -0.12 -3.09 -0.12 0.00 -0.00 0.00 0.00 32.58 29.25 1h37 s HIS 234 CO -0.09 -0.93 1.35 -0.35 -0.00 0.00 0.00 174.74 174.73 1h37 n PRO 235 N 4.19 2.27 -1.27 8.40 -0.04 -1.26 -2.57 135.00 144.72 1h37 n PRO 235 Ca 0.02 0.80 -0.09 0.00 -0.04 0.00 0.00 63.50 64.18 1h37 n PRO 235 Cb 0.40 -2.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 1h37 n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h37 n PHE 236 N 0.28 0.00 0.08 0.54 3.72 -1.26 -4.84 117.46 115.98 1h37 n PHE 236 Ca 0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 1h37 n PHE 236 Cb 0.37 -2.39 -0.14 0.00 -0.94 0.00 0.00 39.48 36.39 1h37 n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1h37 h ARG 237 N 0.08 0.25 -0.78 -1.08 2.43 -1.93 -1.76 114.38 111.59 1h37 h ARG 237 Ca -0.19 -0.43 0.08 0.00 -0.81 0.00 0.00 59.98 58.63 1h37 h ARG 237 Cb 1.00 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 1h37 h ARG 237 CO 0.28 1.15 0.45 -0.09 -1.51 0.00 0.00 179.97 180.25 1h37 h ARG 238 N 0.07 0.75 0.17 0.20 2.43 -1.89 0.42 114.38 116.53 1h37 h ARG 238 Ca -0.19 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1h37 h ARG 238 Cb 2.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 1h37 h ARG 238 CO 0.18 0.50 -0.08 0.00 -1.51 0.00 0.00 179.97 179.05 1h37 h ALA 239 N 1.42 -0.23 -0.69 2.80 0.00 -1.95 -2.36 119.26 118.26 1h37 h ALA 239 Ca 0.37 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.32 1h37 h ALA 239 Cb 0.30 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 1h37 h ALA 239 CO -0.23 -0.55 0.04 0.00 0.00 0.00 0.00 179.25 178.51 1h37 h ALA 240 N 0.43 0.74 0.60 0.00 0.00 -0.35 0.92 119.26 121.60 1h37 h ALA 240 Ca -0.02 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1h37 h ALA 240 Cb 0.30 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1h37 h ALA 240 CO 0.04 -0.39 -0.29 0.93 0.00 0.00 0.00 179.25 179.54 1h37 h GLU 241 N 0.14 -0.78 -0.83 0.00 5.08 -0.84 -2.28 114.58 115.08 1h37 h GLU 241 Ca 0.37 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.95 1h37 h GLU 241 Cb 0.63 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 1h37 h GLU 241 CO -0.57 -0.51 0.55 0.82 -1.00 0.00 0.00 179.01 178.29 1h37 h ILE 242 N -0.83 0.77 -0.90 3.13 2.04 -0.83 0.33 117.51 121.21 1h37 h ILE 242 Ca -0.08 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1h37 h ILE 242 Cb 0.63 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1h37 h ILE 242 CO 0.14 0.09 0.56 0.03 0.00 0.00 0.00 178.15 178.96 1h37 h ARG 243 N 0.47 1.22 -0.05 2.37 2.47 -0.35 0.62 114.38 121.13 1h37 h ARG 243 Ca 0.42 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 59.01 1h37 h ARG 243 Cb 0.92 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1h37 h ARG 243 CO -0.16 0.84 -0.09 0.00 0.56 0.00 0.00 179.97 181.12 1h37 h ALA 244 N 1.37 0.08 -0.32 0.04 0.00 0.09 -1.83 119.26 118.70 1h37 h ALA 244 Ca 0.33 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1h37 h ALA 244 Cb -0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1h37 h ALA 244 CO -0.06 -0.06 0.05 1.25 0.00 0.00 0.00 179.25 180.42 1h37 h LEU 245 N -0.35 -0.03 -1.10 0.00 5.85 -0.79 -0.75 115.31 118.14 1h37 h LEU 245 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1h37 h LEU 245 Cb 0.67 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1h37 h LEU 245 CO 0.02 0.02 0.40 0.44 -0.34 0.00 0.00 178.44 178.98 1h37 h ASP 246 N 0.15 0.91 -0.23 1.25 3.32 -0.91 0.13 116.42 121.04 1h37 h ASP 246 Ca 0.15 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1h37 h ASP 246 Cb 0.17 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1h37 h ASP 246 CO -0.21 0.74 0.06 -0.25 -1.72 0.00 0.00 179.24 177.86 1h37 h TRP 247 N 1.03 0.46 0.10 4.55 7.01 -0.42 -2.03 115.95 126.64 1h37 h TRP 247 Ca 0.26 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 1h37 h TRP 247 Cb 0.03 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1h37 h TRP 247 CO 0.01 0.42 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.96 1h37 h LEU 248 N 0.45 -0.11 -1.54 0.65 3.38 0.02 -3.12 115.31 115.05 1h37 h LEU 248 Ca 0.11 -0.47 0.14 0.00 0.09 0.00 0.00 57.88 57.74 1h37 h LEU 248 Cb 0.20 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1h37 h LEU 248 CO -0.00 0.52 0.50 -0.07 0.09 0.00 0.00 178.44 179.48 1h37 h LEU 249 N -0.86 0.44 -0.37 1.67 3.38 -0.70 -1.43 115.31 117.44 1h37 h LEU 249 Ca -0.01 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1h37 h LEU 249 Cb 0.57 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1h37 h LEU 249 CO 0.02 0.24 -0.18 -0.33 0.09 0.00 0.00 178.44 178.28 1h37 h GLU 250 N 0.47 0.78 -0.01 1.13 5.08 -1.45 -3.31 114.58 117.27 1h37 h GLU 250 Ca 0.37 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1h37 h GLU 250 Cb 0.76 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1h37 h GLU 250 CO -0.12 0.96 -0.16 0.54 -1.00 0.00 0.00 179.01 179.23 1h37 n ARG 251 N -4.28 1.24 -1.60 2.33 1.74 -0.60 -4.97 116.66 110.51 1h37 n ARG 251 Ca -0.02 -0.76 -0.56 0.00 -0.77 0.00 0.00 57.85 55.73 1h37 n ARG 251 Cb 0.41 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 1h37 n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1h37 n GLN 252 N -0.21 0.77 -0.95 5.56 7.27 -0.82 -4.75 117.38 124.24 1h37 n GLN 252 Ca 0.15 0.28 -0.30 0.00 0.07 0.00 0.00 57.00 57.20 1h37 n GLN 252 Cb 0.37 -1.88 0.17 0.00 2.41 0.00 0.00 30.24 31.31 1h37 n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1h37 s ALA 253 N 1.11 1.03 0.27 1.69 0.00 -0.11 -4.94 121.76 120.83 1h37 s ALA 253 Ca 0.90 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1h37 s ALA 253 Cb -1.10 -3.26 0.39 0.00 0.00 0.00 0.00 23.12 19.15 1h37 s ALA 253 CO 0.56 -2.80 1.74 0.78 0.00 0.00 0.00 175.76 176.04 1h37 h GLY 254 N -1.88 0.66 0.28 0.00 0.00 -1.86 -2.68 103.07 97.59 1h37 h GLY 254 Ca -0.51 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1h37 h GLY 254 CO 0.51 0.45 0.00 2.09 0.00 0.00 0.00 176.54 179.59 1h37 n ASP 255 N -4.17 0.00 0.00 0.19 5.68 -1.26 -4.83 116.55 112.16 1h37 n ASP 255 Ca 0.01 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1h37 n ASP 255 Cb 0.36 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1h37 n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h37 n GLY 256 N 0.41 0.87 0.00 6.12 0.00 -1.01 -4.25 105.19 107.33 1h37 n GLY 256 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1h37 n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h37 n SER 257 N 0.00 0.00 -3.52 1.61 3.41 -1.26 -3.57 113.62 110.29 1h37 n SER 257 Ca 0.00 -0.31 -0.20 0.00 -0.26 0.00 0.00 58.87 58.10 1h37 n SER 257 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1h37 n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1h37 s TRP 258 N 0.77 -0.16 0.00 7.33 0.51 -1.26 -0.93 118.94 125.20 1h37 s TRP 258 Ca 0.00 0.10 0.00 0.00 -2.12 0.00 0.00 56.10 54.08 1h37 s TRP 258 Cb 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 33.47 32.22 1h37 s TRP 258 CO 0.00 -0.57 0.00 0.41 -0.51 0.00 0.00 176.95 176.28 1h37 n GLY 259 N 5.31 2.30 2.18 0.98 0.00 -1.26 -3.33 105.19 111.36 1h37 n GLY 259 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1h37 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 260 N -1.99 0.45 3.17 -0.02 0.00 -1.26 -5.01 105.19 100.53 1h37 n GLY 260 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 1h37 n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h37 s ILE 261 N -2.34 1.08 0.13 -0.61 -4.36 -1.21 -4.35 121.20 109.54 1h37 s ILE 261 Ca 0.00 -1.29 -0.25 0.00 -0.26 0.00 0.00 60.65 58.85 1h37 s ILE 261 Cb 0.00 -1.05 -0.03 0.00 1.25 0.00 0.00 42.46 42.63 1h37 s ILE 261 CO 0.00 -0.23 1.63 -0.61 0.24 0.00 0.00 174.94 175.97 1h37 h GLN 262 N 4.31 -0.36 0.00 0.37 -0.00 -1.59 -3.27 115.11 114.56 1h37 h GLN 262 Ca -0.41 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 1h37 h GLN 262 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.75 1h37 h GLN 262 CO 0.40 -0.24 0.00 -2.30 0.00 0.00 0.00 178.83 176.69 1h37 n PRO 263 N -5.38 0.00 -0.31 -2.39 -0.02 -1.26 -1.50 135.00 124.14 1h37 n PRO 263 Ca -0.04 0.54 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1h37 n PRO 263 Cb 0.30 -1.18 0.23 0.00 -0.02 0.00 0.00 33.50 32.83 1h37 n PRO 263 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h37 h PRO 264 N 0.00 0.67 -0.31 0.52 0.13 -1.86 -1.35 132.00 129.81 1h37 h PRO 264 Ca 0.00 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.16 1h37 h PRO 264 Cb 0.00 -0.15 -0.08 0.00 0.13 0.00 0.00 31.00 30.90 1h37 h PRO 264 CO 0.00 0.45 -0.28 2.35 -0.23 0.00 0.00 178.00 180.29 1h37 h TRP 265 N 0.69 -0.75 -0.28 1.56 2.91 -1.58 0.88 115.95 119.39 1h37 h TRP 265 Ca 0.47 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.52 1h37 h TRP 265 Cb 0.63 0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 29.65 1h37 h TRP 265 CO -0.07 -0.35 0.12 0.74 -1.03 0.00 0.00 178.44 177.85 1h37 h PHE 266 N -0.25 0.41 -0.30 2.65 -1.00 -0.23 -2.21 116.94 116.01 1h37 h PHE 266 Ca 0.15 -0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.82 1h37 h PHE 266 Cb 0.50 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1h37 h PHE 266 CO -0.45 0.40 -0.20 1.88 -1.61 0.00 0.00 178.31 178.33 1h37 h TYR 267 N 0.30 0.60 -0.73 -0.55 0.05 -0.60 -2.24 116.97 113.81 1h37 h TYR 267 Ca 0.09 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1h37 h TYR 267 Cb 0.16 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1h37 h TYR 267 CO -0.01 0.71 0.29 0.00 -1.05 0.00 0.00 178.16 178.10 1h37 h ALA 268 N 1.30 1.15 -0.61 3.88 0.00 0.95 0.11 119.26 126.03 1h37 h ALA 268 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1h37 h ALA 268 Cb 0.62 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1h37 h ALA 268 CO 0.04 0.62 0.04 -0.07 0.00 0.00 0.00 179.25 179.88 1h37 h LEU 269 N 1.05 1.03 -0.64 0.00 3.38 -1.05 -1.94 115.31 117.14 1h37 h LEU 269 Ca 0.24 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1h37 h LEU 269 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1h37 h LEU 269 CO -0.02 1.06 0.03 0.40 0.09 0.00 0.00 178.44 180.00 1h37 h ILE 270 N 0.96 1.27 -0.27 1.22 2.04 -0.82 -1.54 117.51 120.36 1h37 h ILE 270 Ca 0.18 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1h37 h ILE 270 Cb 0.51 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1h37 h ILE 270 CO 0.02 0.41 0.17 0.00 0.00 0.00 0.00 178.15 178.75 1h37 h ALA 271 N 1.01 0.33 -0.08 1.87 0.00 -0.59 -0.38 119.26 121.43 1h37 h ALA 271 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1h37 h ALA 271 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1h37 h ALA 271 CO 0.03 -0.21 -0.14 -0.07 0.00 0.00 0.00 179.25 178.86 1h37 h LEU 272 N 0.34 0.12 -0.52 0.00 3.38 -1.16 -1.59 115.31 115.88 1h37 h LEU 272 Ca 0.10 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1h37 h LEU 272 Cb -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1h37 h LEU 272 CO -0.03 0.28 -0.43 0.50 0.09 0.00 0.00 178.44 178.84 1h37 h LYS 273 N 0.12 0.72 -0.74 1.13 1.63 -0.51 -1.18 116.57 117.75 1h37 h LYS 273 Ca 0.03 -0.39 -0.05 0.00 -0.85 0.00 0.00 60.65 59.38 1h37 h LYS 273 Cb 0.33 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1h37 h LYS 273 CO 0.02 1.01 0.25 0.82 -3.45 0.00 0.00 179.45 178.11 1h37 h ILE 274 N 0.58 1.26 -0.36 2.00 1.08 -0.23 -2.81 117.51 119.03 1h37 h ILE 274 Ca 0.04 -0.86 -0.20 0.00 -0.39 0.00 0.00 64.86 63.44 1h37 h ILE 274 Cb 0.98 0.42 -0.11 0.00 -3.07 0.00 0.00 36.82 35.04 1h37 h ILE 274 CO 0.09 0.34 0.26 0.18 -0.69 0.00 0.00 178.15 178.33 1h37 n LEU 275 N -4.26 4.81 -4.52 1.44 4.77 -0.68 -4.88 117.00 113.67 1h37 n LEU 275 Ca 0.06 -2.47 -0.42 0.00 -0.03 0.00 0.00 56.01 53.15 1h37 n LEU 275 Cb 0.21 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.49 1h37 n LEU 275 CO 0.41 0.82 -0.16 0.47 -1.33 0.00 0.00 177.39 177.60 1h37 n ASP 276 N 0.08 -1.87 -1.97 -1.43 8.00 -1.06 -4.84 116.55 113.46 1h37 n ASP 276 Ca 0.22 -1.23 -0.24 0.00 0.71 0.00 0.00 54.79 54.25 1h37 n ASP 276 Cb 0.84 -1.68 0.07 0.00 -0.02 0.00 0.00 41.12 40.32 1h37 n ASP 276 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1h37 n MET 277 N -4.09 3.06 0.23 -1.24 2.81 -0.47 -4.71 117.12 112.72 1h37 n MET 277 Ca 0.11 -3.76 0.12 0.00 -1.81 0.00 0.00 57.70 52.36 1h37 n MET 277 Cb 0.46 -2.21 0.48 0.00 -0.71 0.00 0.00 33.22 31.24 1h37 n MET 277 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1h37 h THR 278 N 1.65 0.34 -0.51 2.03 1.35 -1.89 -2.73 112.91 113.15 1h37 h THR 278 Ca 0.41 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1h37 h THR 278 Cb 1.35 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1h37 h THR 278 CO 0.94 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 176.35 1h37 n GLN 279 N -3.26 4.30 -3.71 4.72 6.02 -1.26 -4.48 117.38 119.71 1h37 n GLN 279 Ca 0.01 -2.73 -0.34 0.00 -0.01 0.00 0.00 57.00 53.92 1h37 n GLN 279 Cb 0.42 -2.13 -0.05 0.00 1.02 0.00 0.00 30.24 29.49 1h37 n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1h37 s HIS 280 N -2.45 3.57 0.19 1.08 2.46 -1.03 -5.01 115.29 114.09 1h37 s HIS 280 Ca 0.47 0.61 -0.17 0.00 0.47 0.00 0.00 55.06 56.44 1h37 s HIS 280 Cb 0.36 -2.02 0.16 0.00 -0.13 0.00 0.00 32.58 30.94 1h37 s HIS 280 CO 0.15 0.57 1.62 -1.35 -2.47 0.00 0.00 174.74 173.26 1h37 h PRO 281 N 3.75 -0.08 -0.91 2.88 0.11 -1.91 -2.34 132.00 133.51 1h37 h PRO 281 Ca -0.49 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.78 1h37 h PRO 281 Cb 1.19 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1h37 h PRO 281 CO 0.67 -0.05 0.51 0.00 -0.21 0.00 0.00 178.00 178.93 1h37 h ALA 282 N 1.32 1.42 -0.26 -0.75 0.00 -1.95 0.02 119.26 119.07 1h37 h ALA 282 Ca 0.25 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 1h37 h ALA 282 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h37 h ALA 282 CO -0.58 -0.03 -0.47 0.35 0.00 0.00 0.00 179.25 178.52 1h37 h PHE 283 N 0.72 0.97 0.67 0.00 3.04 -1.68 0.58 116.94 121.23 1h37 h PHE 283 Ca 0.50 -0.34 -0.03 0.00 3.98 0.00 0.00 57.97 62.07 1h37 h PHE 283 Cb 0.69 -0.18 0.01 0.00 2.56 0.00 0.00 35.95 39.03 1h37 h PHE 283 CO -0.05 1.14 -0.32 0.82 -2.02 0.00 0.00 178.31 177.88 1h37 h ILE 284 N 0.52 0.32 -0.89 1.41 1.08 -0.88 0.12 117.51 119.20 1h37 h ILE 284 Ca 0.01 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.50 1h37 h ILE 284 Cb 1.07 0.34 -0.07 0.00 -3.07 0.00 0.00 36.82 35.10 1h37 h ILE 284 CO 0.11 0.01 0.55 0.50 -0.69 0.00 0.00 178.15 178.62 1h37 h LYS 285 N -0.94 0.93 -0.67 2.37 1.63 -1.05 -0.83 116.57 118.00 1h37 h LYS 285 Ca -0.09 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1h37 h LYS 285 Cb 0.70 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1h37 h LYS 285 CO 0.15 0.61 0.39 0.78 -3.45 0.00 0.00 179.45 177.94 1h37 h GLY 286 N 0.96 0.98 0.46 5.01 0.00 -0.61 -1.23 103.07 108.65 1h37 h GLY 286 Ca 0.40 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1h37 h GLY 286 CO -0.20 0.40 -0.06 -0.25 0.00 0.00 0.00 176.54 176.43 1h37 h TRP 287 N 0.93 -0.15 0.00 5.60 2.91 0.39 -3.28 115.95 122.35 1h37 h TRP 287 Ca 0.24 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.26 1h37 h TRP 287 Cb -0.01 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 1h37 h TRP 287 CO 0.00 0.31 0.00 1.05 -1.03 0.00 0.00 178.44 178.77 1h37 h GLU 288 N -0.71 0.00 0.00 2.65 4.11 -1.29 -2.85 114.58 116.49 1h37 h GLU 288 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1h37 h GLU 288 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1h37 h GLU 288 CO 0.03 0.00 -0.13 0.78 0.07 0.00 0.00 179.01 179.76 1h37 h GLY 289 N 2.75 0.00 0.12 1.06 0.00 -1.28 -3.09 103.07 102.63 1h37 h GLY 289 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 1h37 h GLY 289 CO 0.00 0.00 0.26 1.41 0.00 0.00 0.00 176.54 178.21 1h37 h LEU 290 N 0.00 0.20 -1.59 3.11 3.38 -1.60 -2.43 115.31 116.39 1h37 h LEU 290 Ca -0.00 0.12 0.26 0.00 0.09 0.00 0.00 57.88 58.35 1h37 h LEU 290 Cb 0.36 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1h37 h LEU 290 CO 0.02 0.07 0.68 -0.33 0.09 0.00 0.00 178.44 178.97 1h37 h GLU 291 N 0.39 0.27 -0.02 1.13 4.39 -1.76 -0.31 114.58 118.68 1h37 h GLU 291 Ca 0.40 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.09 1h37 h GLU 291 Cb 0.62 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1h37 h GLU 291 CO -0.42 0.18 0.01 1.25 -1.16 0.00 0.00 179.01 178.87 1h37 h LEU 292 N 0.28 0.00 0.00 1.33 5.85 -1.66 -2.30 115.31 118.81 1h37 h LEU 292 Ca 0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1h37 h LEU 292 Cb 1.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1h37 h LEU 292 CO -0.18 0.00 -0.69 1.88 -0.34 0.00 0.00 178.44 179.11 1h37 h TYR 293 N 0.00 0.00 -4.25 1.25 -1.99 -1.22 -3.47 116.97 107.28 1h37 h TYR 293 Ca 0.01 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.23 1h37 h TYR 293 Cb 0.04 0.00 0.13 0.00 2.00 0.00 0.00 36.73 38.90 1h37 h TYR 293 CO 0.00 0.00 0.31 0.20 -0.00 0.00 0.00 178.16 178.67 1h37 s GLY 294 N -4.06 1.66 -0.09 3.88 0.00 -0.87 -1.86 107.32 105.97 1h37 s GLY 294 Ca 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 1h37 s GLY 294 CO 0.74 0.51 0.21 0.14 0.00 0.00 0.00 173.10 174.70 1h37 s VAL 295 N -2.95 -0.12 -0.26 1.40 1.01 0.92 -4.90 120.40 115.49 1h37 s VAL 295 Ca 0.61 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 1h37 s VAL 295 Cb -0.17 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1h37 s VAL 295 CO 0.56 0.08 1.04 -1.61 0.00 0.00 0.00 175.10 175.17 1h37 s GLU 296 N 1.52 4.18 -0.06 2.72 0.41 -1.26 -1.70 118.70 124.51 1h37 s GLU 296 Ca -0.06 1.23 -0.19 0.00 -0.41 0.00 0.00 54.97 55.53 1h37 s GLU 296 Cb -0.11 -3.68 -0.05 0.00 -1.78 0.00 0.00 34.13 28.52 1h37 s GLU 296 CO -0.07 -0.72 0.54 -0.51 -0.49 0.00 0.00 175.26 174.00 1h37 s LEU 297 N 3.35 4.34 0.55 1.80 1.43 -0.04 -4.97 118.68 125.14 1h37 s LEU 297 Ca 0.44 0.99 0.28 0.00 -1.03 0.00 0.00 54.13 54.81 1h37 s LEU 297 Cb -0.14 -2.81 1.46 0.00 0.03 0.00 0.00 46.19 44.72 1h37 s LEU 297 CO 0.09 0.04 1.94 -2.24 0.23 0.00 0.00 176.35 176.42 1h37 h ASP 298 N 6.21 0.00 -0.15 2.29 3.04 -1.96 0.82 116.42 126.67 1h37 h ASP 298 Ca -0.43 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1h37 h ASP 298 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 1h37 h ASP 298 CO 0.72 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.92 1h37 n TYR 299 N -4.15 0.47 -0.03 4.15 0.18 -1.26 -4.83 117.16 111.69 1h37 n TYR 299 Ca 0.12 -0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1h37 n TYR 299 Cb 0.71 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 1h37 n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h37 n GLY 300 N 0.28 0.84 3.67 -7.48 0.00 0.27 -5.00 105.19 97.77 1h37 n GLY 300 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1h37 n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 301 N -2.00 -1.35 3.28 -0.02 0.00 -1.17 -4.32 105.19 99.61 1h37 n GLY 301 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 1h37 n GLY 301 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1h37 s TRP 302 N -3.71 -0.59 0.17 1.61 -0.00 -0.89 -0.86 118.94 114.68 1h37 s TRP 302 Ca 0.71 1.28 0.06 0.00 -0.00 0.00 0.00 56.10 58.15 1h37 s TRP 302 Cb -0.02 0.26 -0.05 0.00 -0.00 0.00 0.00 33.47 33.66 1h37 s TRP 302 CO 0.50 -0.33 -0.12 0.00 -0.00 0.00 0.00 176.95 177.00 1h37 s MET 303 N 1.22 1.19 -0.14 5.86 0.23 -0.69 -4.54 119.30 122.43 1h37 s MET 303 Ca -0.08 -1.51 0.01 0.00 -1.03 0.00 0.00 55.69 53.08 1h37 s MET 303 Cb -0.07 -0.88 0.00 0.00 -1.53 0.00 0.00 34.83 32.35 1h37 s MET 303 CO -0.11 0.13 -0.19 0.12 -2.03 0.00 0.00 175.02 172.95 1h37 s PHE 304 N -3.11 2.72 0.12 3.16 2.19 -1.26 -0.06 117.98 121.74 1h37 s PHE 304 Ca 0.19 -1.16 -0.30 0.00 0.33 0.00 0.00 56.93 55.99 1h37 s PHE 304 Cb 0.01 -1.84 -0.07 0.00 -1.31 0.00 0.00 43.02 39.80 1h37 s PHE 304 CO 0.04 -0.52 1.22 -0.65 1.83 0.00 0.00 175.22 177.13 1h37 s GLN 305 N 0.77 4.45 0.50 10.12 -0.21 -0.78 -4.72 119.66 129.79 1h37 s GLN 305 Ca -0.07 1.84 0.16 0.00 0.02 0.00 0.00 55.36 57.32 1h37 s GLN 305 Cb -0.16 -3.29 1.20 0.00 1.00 0.00 0.00 33.01 31.76 1h37 s GLN 305 CO -0.00 -0.20 2.10 0.00 -2.12 0.00 0.00 175.29 175.07 1h37 h ALA 306 N 6.12 1.86 -2.42 6.09 0.00 -1.92 -3.44 119.26 125.56 1h37 h ALA 306 Ca -0.43 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 54.59 1h37 h ALA 306 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1h37 h ALA 306 CO 0.79 0.08 0.54 0.45 0.00 0.00 0.00 179.25 181.12 1h37 s SER 307 N -6.99 -0.07 0.01 0.00 0.15 -1.26 -1.64 113.70 103.89 1h37 s SER 307 Ca -0.05 -0.56 0.07 0.00 0.70 0.00 0.00 55.95 56.11 1h37 s SER 307 Cb 0.16 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 1h37 s SER 307 CO 0.67 -0.95 -0.20 0.27 1.20 0.00 0.00 173.24 174.23 1h37 s ILE 308 N -2.65 1.59 -0.30 6.45 -4.36 -1.26 -4.49 121.20 116.17 1h37 s ILE 308 Ca 0.17 -0.98 0.08 0.00 -0.26 0.00 0.00 60.65 59.66 1h37 s ILE 308 Cb -0.02 -1.35 0.51 0.00 1.25 0.00 0.00 42.46 42.85 1h37 s ILE 308 CO 0.04 0.34 1.47 -1.54 0.24 0.00 0.00 174.94 175.49 1h37 n SER 309 N 2.29 2.58 -0.13 4.36 3.41 -1.26 -3.39 113.62 121.48 1h37 n SER 309 Ca -0.16 -3.80 -0.08 0.00 -0.26 0.00 0.00 58.87 54.57 1h37 n SER 309 Cb 0.53 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1h37 n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1h37 h PRO 310 N 1.04 -0.24 -0.12 4.33 0.13 -1.78 0.16 132.00 135.51 1h37 h PRO 310 Ca 0.24 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.41 1h37 h PRO 310 Cb 1.66 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.83 1h37 h PRO 310 CO 0.43 -0.16 -0.03 0.28 -0.23 0.00 0.00 178.00 178.29 1h37 h VAL 311 N -0.25 0.88 -0.22 1.56 2.07 -1.70 -0.93 116.25 117.66 1h37 h VAL 311 Ca 0.18 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1h37 h VAL 311 Cb 0.55 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1h37 h VAL 311 CO -0.57 0.00 -0.06 -0.25 0.02 0.00 0.00 177.57 176.72 1h37 h TRP 312 N 0.00 -0.12 -0.25 1.57 2.91 -1.51 0.15 115.95 118.69 1h37 h TRP 312 Ca 0.06 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.11 1h37 h TRP 312 Cb 0.09 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 1h37 h TRP 312 CO -0.16 -0.10 0.14 -0.44 -1.03 0.00 0.00 178.44 176.85 1h37 h ASP 313 N -0.00 0.21 -0.45 2.65 3.32 -0.49 -2.01 116.42 119.65 1h37 h ASP 313 Ca 0.11 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1h37 h ASP 313 Cb 0.16 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1h37 h ASP 313 CO -0.23 0.16 0.27 0.74 -1.72 0.00 0.00 179.24 178.46 1h37 h THR 314 N 0.28 1.05 -0.11 0.35 2.02 -0.76 0.70 112.91 116.44 1h37 h THR 314 Ca 0.10 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1h37 h THR 314 Cb 0.01 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 1h37 h THR 314 CO -0.06 0.10 -0.15 1.23 0.37 0.00 0.00 175.52 177.01 1h37 h GLY 315 N 0.54 -0.09 1.03 2.16 0.00 -0.33 -1.37 103.07 105.01 1h37 h GLY 315 Ca 0.18 0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 1h37 h GLY 315 CO -0.08 -0.15 -0.34 1.41 0.00 0.00 0.00 176.54 177.38 1h37 h LEU 316 N -0.19 0.84 -0.53 3.11 3.38 -1.24 -2.75 115.31 117.92 1h37 h LEU 316 Ca 0.09 -0.48 0.11 0.00 0.09 0.00 0.00 57.88 57.69 1h37 h LEU 316 Cb 0.32 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1h37 h LEU 316 CO -0.23 1.15 -0.19 0.00 0.09 0.00 0.00 178.44 179.26 1h37 h ALA 317 N 0.72 0.23 0.13 1.53 0.00 -0.61 0.65 119.26 121.90 1h37 h ALA 317 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1h37 h ALA 317 Cb 0.92 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1h37 h ALA 317 CO 0.08 -0.51 -0.06 0.28 0.00 0.00 0.00 179.25 179.04 1h37 h VAL 318 N -0.07 0.89 -0.69 0.00 2.07 -1.22 -0.86 116.25 116.37 1h37 h VAL 318 Ca 0.25 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1h37 h VAL 318 Cb 0.46 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1h37 h VAL 318 CO -0.58 0.02 0.46 -0.07 0.02 0.00 0.00 177.57 177.42 1h37 h LEU 319 N -0.22 0.56 0.08 2.57 3.38 -1.05 -1.12 115.31 119.51 1h37 h LEU 319 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h37 h LEU 319 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h37 h LEU 319 CO 0.03 0.35 -0.04 0.00 0.09 0.00 0.00 178.44 178.87 1h37 h ALA 320 N 1.64 -0.11 -0.15 1.53 0.00 -0.62 -1.68 119.26 119.87 1h37 h ALA 320 Ca 0.31 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1h37 h ALA 320 Cb 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1h37 h ALA 320 CO -0.10 -0.27 0.11 -0.07 0.00 0.00 0.00 179.25 178.91 1h37 h LEU 321 N -0.69 0.00 0.16 0.00 3.38 -0.84 0.13 115.31 117.45 1h37 h LEU 321 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1h37 h LEU 321 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1h37 h LEU 321 CO 0.02 0.00 -0.08 0.03 0.09 0.00 0.00 178.44 178.50 1h37 h ARG 322 N 0.00 -0.21 -0.12 1.13 2.47 -1.18 -2.32 114.38 114.15 1h37 h ARG 322 Ca 0.07 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1h37 h ARG 322 Cb 0.28 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1h37 h ARG 322 CO -0.00 0.11 0.25 0.00 0.56 0.00 0.00 179.97 180.89 1h37 h ALA 323 N -0.66 1.55 0.00 0.04 0.00 -1.08 0.31 119.26 119.42 1h37 h ALA 323 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1h37 h ALA 323 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1h37 h ALA 323 CO 0.04 -0.31 -0.58 0.00 0.00 0.00 0.00 179.25 178.39 1h37 h ALA 324 N 1.62 0.63 0.00 0.00 0.00 -0.67 -3.36 119.26 117.47 1h37 h ALA 324 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1h37 h ALA 324 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h37 h ALA 324 CO -0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1h37 n GLY 325 N 1.21 3.45 3.34 0.00 0.00 0.11 -4.88 105.19 108.43 1h37 n GLY 325 Ca 0.02 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1h37 n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h37 n LEU 326 N 0.00 -2.17 -4.76 0.99 4.77 -1.05 -4.86 117.00 109.91 1h37 n LEU 326 Ca 0.00 0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 56.48 1h37 n LEU 326 Cb 0.00 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 40.18 1h37 n LEU 326 CO 0.00 -3.75 1.06 -2.65 -1.33 0.00 0.00 177.39 170.73 1h37 n PRO 327 N 1.18 2.34 0.01 3.23 -0.02 -1.26 -4.67 135.00 135.82 1h37 n PRO 327 Ca 0.13 0.83 0.01 0.00 -2.02 0.00 0.00 63.50 62.45 1h37 n PRO 327 Cb 0.36 -2.60 0.06 0.00 -0.02 0.00 0.00 33.50 31.29 1h37 n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h37 n ALA 328 N 0.01 1.01 -1.01 3.55 0.00 -1.26 -0.69 120.51 122.11 1h37 n ALA 328 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1h37 n ALA 328 Cb 0.40 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 18.93 1h37 n ALA 328 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h37 n ASP 329 N -1.57 2.03 -4.64 0.00 5.68 -1.26 0.29 116.55 117.08 1h37 n ASP 329 Ca -0.00 -2.80 -0.49 0.00 -0.50 0.00 0.00 54.79 50.99 1h37 n ASP 329 Cb 0.00 -0.34 -0.05 0.00 -1.14 0.00 0.00 41.12 39.59 1h37 n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1h37 n HIS 330 N -1.15 1.93 0.33 2.11 -0.00 0.13 -4.82 115.22 113.76 1h37 n HIS 330 Ca 0.12 0.43 0.20 0.00 0.46 0.00 0.00 57.72 58.93 1h37 n HIS 330 Cb 0.59 -2.45 1.09 0.00 -0.12 0.00 0.00 29.99 29.10 1h37 n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1h37 h ASP 331 N 5.64 0.00 0.50 0.26 2.03 -1.97 -1.30 116.42 121.58 1h37 h ASP 331 Ca -0.46 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.54 1h37 h ASP 331 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1h37 h ASP 331 CO 0.85 0.00 -1.51 -0.09 -1.03 0.00 0.00 179.24 177.46 1h37 h ARG 332 N 0.00 0.20 0.00 4.15 9.65 -1.97 -3.22 114.38 123.19 1h37 h ARG 332 Ca 0.01 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1h37 h ARG 332 Cb 0.18 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1h37 h ARG 332 CO -0.00 1.04 0.00 1.28 2.80 0.00 0.00 179.97 185.09 1h37 n LEU 333 N -3.40 0.29 0.10 3.80 4.77 -0.58 -2.96 117.00 119.02 1h37 n LEU 333 Ca -0.15 0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 56.17 1h37 n LEU 333 Cb 1.03 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1h37 n LEU 333 CO 0.49 -0.11 -0.22 0.58 -1.33 0.00 0.00 177.39 176.80 1h37 h VAL 334 N 0.00 1.30 -0.77 4.08 2.07 -1.35 -1.94 116.25 119.63 1h37 h VAL 334 Ca 0.00 -2.86 0.12 0.00 0.82 0.00 0.00 66.70 64.79 1h37 h VAL 334 Cb 0.54 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 1h37 h VAL 334 CO 0.00 0.85 0.51 0.11 0.02 0.00 0.00 177.57 179.06 1h37 h LYS 335 N 0.09 0.55 0.07 1.57 1.79 -1.54 -0.65 116.57 118.46 1h37 h LYS 335 Ca -0.21 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1h37 h LYS 335 Cb 2.04 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.57 1h37 h LYS 335 CO 0.21 0.37 -0.03 0.00 -1.08 0.00 0.00 179.45 178.91 1h37 h ALA 336 N 1.63 -0.10 -0.89 3.86 0.00 -1.57 -2.89 119.26 119.30 1h37 h ALA 336 Ca 0.37 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1h37 h ALA 336 Cb 0.65 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1h37 h ALA 336 CO -0.14 -0.20 0.49 0.78 0.00 0.00 0.00 179.25 180.19 1h37 h GLY 337 N -0.81 1.46 0.84 0.00 0.00 -0.60 0.32 103.07 104.29 1h37 h GLY 337 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1h37 h GLY 337 CO 0.02 0.01 0.03 0.83 0.00 0.00 0.00 176.54 177.42 1h37 h GLU 338 N 0.72 0.37 -0.85 4.80 4.39 -1.25 -2.54 114.58 120.22 1h37 h GLU 338 Ca 0.48 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 60.13 1h37 h GLU 338 Cb 0.63 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 1h37 h GLU 338 CO -0.34 0.52 0.53 2.35 -1.16 0.00 0.00 179.01 180.91 1h37 h TRP 339 N 0.16 0.98 -0.27 4.33 7.01 -1.07 -2.09 115.95 124.99 1h37 h TRP 339 Ca 0.07 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.00 1h37 h TRP 339 Cb 0.34 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1h37 h TRP 339 CO 0.02 0.50 -0.23 -0.07 -2.79 0.00 0.00 178.44 175.88 1h37 h LEU 340 N 0.97 0.51 -1.10 0.65 3.38 -0.84 -2.85 115.31 116.03 1h37 h LEU 340 Ca 0.37 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1h37 h LEU 340 Cb 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1h37 h LEU 340 CO -0.17 0.74 0.00 -0.07 0.09 0.00 0.00 178.44 179.04 1h37 h LEU 341 N 0.46 0.60 -0.54 1.67 3.38 -0.95 -1.67 115.31 118.25 1h37 h LEU 341 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h37 h LEU 341 Cb 0.65 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1h37 h LEU 341 CO 0.05 0.67 0.00 0.47 0.09 0.00 0.00 178.44 179.71 1h37 n ASP 342 N -4.25 0.68 0.04 -0.43 8.00 -1.07 -3.19 116.55 116.32 1h37 n ASP 342 Ca 0.02 0.64 -0.10 0.00 0.71 0.00 0.00 54.79 56.06 1h37 n ASP 342 Cb 0.27 -0.79 -0.13 0.00 -0.02 0.00 0.00 41.12 40.44 1h37 n ASP 342 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1h37 h ARG 343 N 0.00 0.06 -6.06 -1.24 2.47 -1.22 -3.47 114.38 104.91 1h37 h ARG 343 Ca 0.00 -0.11 -0.73 0.00 -1.26 0.00 0.00 59.98 57.88 1h37 h ARG 343 Cb 0.44 0.04 0.07 0.00 -1.65 0.00 0.00 29.97 28.87 1h37 h ARG 343 CO 0.00 0.88 -0.04 0.94 0.56 0.00 0.00 179.97 182.32 1h37 n GLN 344 N -3.29 0.23 -3.21 0.04 7.27 -1.19 -4.82 117.38 112.41 1h37 n GLN 344 Ca -0.09 0.08 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1h37 n GLN 344 Cb 1.00 -1.46 -0.06 0.00 2.41 0.00 0.00 30.24 32.13 1h37 n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1h37 s ILE 345 N -0.25 5.01 -0.11 1.69 -1.09 -0.52 -4.99 121.20 120.94 1h37 s ILE 345 Ca 0.81 1.20 0.16 0.00 -2.23 0.00 0.00 60.65 60.60 1h37 s ILE 345 Cb -1.11 -3.92 0.25 0.00 -1.58 0.00 0.00 42.46 36.10 1h37 s ILE 345 CO 0.55 0.37 1.13 0.35 -1.23 0.00 0.00 174.94 176.11 1h37 n THR 346 N 3.13 1.72 -4.28 2.92 -2.24 -1.26 -2.26 114.28 112.00 1h37 n THR 346 Ca -0.06 -2.04 -0.20 0.00 -2.27 0.00 0.00 64.05 59.47 1h37 n THR 346 Cb 0.51 -0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.49 1h37 n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1h37 s VAL 347 N -2.57 1.56 0.30 2.28 -7.23 -1.26 -4.79 120.40 108.69 1h37 s VAL 347 Ca 0.28 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1h37 s VAL 347 Cb 0.24 -1.65 -0.11 0.00 0.56 0.00 0.00 36.38 35.42 1h37 s VAL 347 CO 0.03 -0.33 1.59 -2.84 -0.31 0.00 0.00 175.10 173.23 1h37 s PRO 348 N -2.61 4.12 0.00 4.82 0.02 -1.26 -4.86 135.00 135.23 1h37 s PRO 348 Ca 0.11 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1h37 s PRO 348 Cb -0.06 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1h37 s PRO 348 CO 0.05 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 1h37 n GLY 349 N 2.08 4.01 0.29 0.52 0.00 -1.26 -4.86 105.19 105.98 1h37 n GLY 349 Ca 0.08 -2.13 0.17 0.00 0.00 0.00 0.00 46.02 44.14 1h37 n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h37 h ASP 350 N 0.00 0.00 0.34 1.61 3.32 -1.91 -1.94 116.42 117.84 1h37 h ASP 350 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1h37 h ASP 350 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h37 h ASP 350 CO 0.00 0.04 -0.15 4.11 -1.72 0.00 0.00 179.24 181.52 1h37 h TRP 351 N 0.00 0.00 0.00 4.55 5.08 -1.82 -2.42 115.95 121.34 1h37 h TRP 351 Ca -0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 1h37 h TRP 351 Cb 0.30 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.46 1h37 h TRP 351 CO 0.00 0.15 -0.00 0.00 -1.28 0.00 0.00 178.44 177.31 1h37 h ALA 352 N 1.85 1.00 -0.01 0.11 0.00 -1.61 -2.23 119.26 118.38 1h37 h ALA 352 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h37 h ALA 352 Cb 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1h37 h ALA 352 CO 0.02 0.00 0.01 0.28 0.00 0.00 0.00 179.25 179.56 1h37 h VAL 353 N 0.00 0.23 -0.01 0.00 2.07 -1.63 -1.35 116.25 115.57 1h37 h VAL 353 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1h37 h VAL 353 Cb 0.07 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1h37 h VAL 353 CO 0.00 0.00 -0.10 0.29 0.02 0.00 0.00 177.57 177.78 1h37 n LYS 354 N -3.41 1.48 -2.97 1.57 4.76 -0.84 -4.76 118.16 113.99 1h37 n LYS 354 Ca -0.03 -0.69 -0.15 0.00 -2.87 0.00 0.00 58.31 54.57 1h37 n LYS 354 Cb 0.09 -1.06 -0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1h37 n LYS 354 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h37 n ARG 355 N -0.03 0.81 0.30 1.97 5.12 -0.57 -5.00 116.66 119.27 1h37 n ARG 355 Ca 0.04 -2.54 0.16 0.00 -1.93 0.00 0.00 57.85 53.59 1h37 n ARG 355 Cb 0.18 -1.35 0.96 0.00 -1.16 0.00 0.00 32.46 31.08 1h37 n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1h37 h PRO 356 N 3.73 0.00 -0.62 5.56 0.11 -1.70 -2.47 132.00 136.62 1h37 h PRO 356 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1h37 h PRO 356 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1h37 h PRO 356 CO 0.38 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.27 1h37 n ASN 357 N -3.69 4.13 -4.70 -2.05 5.03 -1.26 -4.93 115.26 107.79 1h37 n ASN 357 Ca -0.03 -2.23 -0.39 0.00 0.87 0.00 0.00 54.58 52.80 1h37 n ASN 357 Cb 0.09 -0.49 -0.06 0.00 -1.02 0.00 0.00 39.78 38.31 1h37 n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h37 s LEU 358 N -1.43 4.23 0.01 3.41 2.96 -0.93 -5.04 118.68 121.89 1h37 s LEU 358 Ca 0.46 0.89 -0.30 0.00 -0.22 0.00 0.00 54.13 54.95 1h37 s LEU 358 Cb 0.27 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1h37 s LEU 358 CO 0.26 -0.13 1.07 -0.54 -1.32 0.00 0.00 176.35 175.69 1h37 s LYS 359 N 1.16 4.50 0.62 1.98 -0.14 -1.26 -5.01 119.74 121.59 1h37 s LYS 359 Ca 0.29 1.55 -0.18 0.00 -1.36 0.00 0.00 55.97 56.27 1h37 s LYS 359 Cb -0.16 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.51 1h37 s LYS 359 CO 0.12 -0.16 0.87 -2.30 -0.76 0.00 0.00 175.35 173.12 1h37 n PRO 360 N 4.07 0.74 0.00 -1.68 -0.02 -1.26 -4.49 135.00 132.36 1h37 n PRO 360 Ca 0.07 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1h37 n PRO 360 Cb 0.49 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1h37 n PRO 360 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h37 n GLY 361 N 1.38 0.00 1.69 -1.23 0.00 -0.96 -4.81 105.19 101.25 1h37 n GLY 361 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1h37 n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 362 N 0.00 0.38 3.25 -0.02 0.00 -1.25 -3.08 105.19 104.47 1h37 n GLY 362 Ca 0.00 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 1h37 n GLY 362 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h37 s PHE 363 N -1.38 1.32 0.49 1.61 0.40 -1.26 -1.44 117.98 117.71 1h37 s PHE 363 Ca 0.29 -0.70 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1h37 s PHE 363 Cb -0.02 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.87 1h37 s PHE 363 CO 0.20 0.12 0.51 0.00 0.70 0.00 0.00 175.22 176.75 1h37 s ALA 364 N -3.03 4.38 -0.11 5.36 0.00 -1.26 -1.41 121.76 125.69 1h37 s ALA 364 Ca 0.15 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 50.21 1h37 s ALA 364 Cb 0.01 -1.14 -0.12 0.00 0.00 0.00 0.00 23.12 21.86 1h37 s ALA 364 CO 0.02 -0.45 0.40 0.35 0.00 0.00 0.00 175.76 176.08 1h37 h PHE 365 N 0.69 -0.03 -1.29 0.00 3.57 -1.89 -3.43 116.94 114.56 1h37 h PHE 365 Ca -0.37 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1h37 h PHE 365 Cb 1.28 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1h37 h PHE 365 CO 0.59 0.42 0.00 0.00 -2.23 0.00 0.00 178.31 177.09 1h37 n GLN 366 N -4.73 0.70 0.06 1.11 0.00 -1.22 -2.50 117.38 110.80 1h37 n GLN 366 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 56.90 1h37 n GLN 366 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.44 1h37 n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1h37 h PHE 367 N -0.31 -0.24 -3.28 2.61 0.04 -1.92 -3.40 116.94 110.44 1h37 h PHE 367 Ca 0.00 -0.01 -0.62 0.00 2.80 0.00 0.00 57.97 60.14 1h37 h PHE 367 Cb 0.00 0.08 -0.40 0.00 2.20 0.00 0.00 35.95 37.83 1h37 h PHE 367 CO 0.00 -0.10 -0.72 0.34 -0.60 0.00 0.00 178.31 177.22 1h37 s ASP 368 N -5.28 4.15 -0.44 2.17 2.15 -1.26 -4.98 116.67 113.18 1h37 s ASP 368 Ca -0.05 -2.28 0.06 0.00 0.43 0.00 0.00 52.55 50.71 1h37 s ASP 368 Cb 0.00 -1.24 0.21 0.00 -0.30 0.00 0.00 42.92 41.59 1h37 s ASP 368 CO 0.16 -0.33 0.56 -3.20 -0.17 0.00 0.00 175.17 172.18 1h37 n ASN 369 N 4.03 -1.38 0.11 -0.34 5.15 -1.26 -3.62 115.26 117.95 1h37 n ASN 369 Ca 0.04 -2.72 0.01 0.00 -0.60 0.00 0.00 54.58 51.31 1h37 n ASN 369 Cb 0.38 0.32 0.33 0.00 -0.53 0.00 0.00 39.78 40.28 1h37 n ASN 369 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1h37 h VAL 370 N 3.81 1.23 -0.00 3.44 -1.51 -1.96 -3.16 116.25 118.10 1h37 h VAL 370 Ca 0.11 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1h37 h VAL 370 Cb 0.97 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1h37 h VAL 370 CO 0.30 0.33 -0.03 -1.22 -1.23 0.00 0.00 177.57 175.72 1h37 n TYR 371 N -4.17 0.00 -3.19 5.19 4.01 -1.26 -4.40 117.16 113.34 1h37 n TYR 371 Ca -0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1h37 n TYR 371 Cb 0.35 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 39.13 1h37 n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1h37 n TYR 372 N -1.12 0.34 -1.64 -0.72 4.01 -1.19 -3.05 117.16 113.79 1h37 n TYR 372 Ca 0.16 -3.72 -0.31 0.00 -0.16 0.00 0.00 57.90 53.87 1h37 n TYR 372 Cb 0.23 -0.40 0.05 0.00 -0.31 0.00 0.00 39.34 38.91 1h37 n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h37 s PRO 373 N -1.88 2.98 0.05 -0.72 0.04 -1.26 -4.69 135.00 129.52 1h37 s PRO 373 Ca 0.38 0.87 0.06 0.00 0.04 0.00 0.00 61.00 62.35 1h37 s PRO 373 Cb 0.25 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1h37 s PRO 373 CO -0.09 -1.05 -0.16 0.16 0.04 0.00 0.00 177.00 175.90 1h37 s ASP 374 N -3.90 1.94 0.46 6.66 -4.77 -0.50 -4.63 116.67 111.92 1h37 s ASP 374 Ca 0.58 -0.52 0.16 0.00 -3.30 0.00 0.00 52.55 49.47 1h37 s ASP 374 Cb -0.13 -0.12 1.11 0.00 -1.09 0.00 0.00 42.92 42.68 1h37 s ASP 374 CO 0.55 0.05 2.00 0.58 0.70 0.00 0.00 175.17 179.05 1h37 h VAL 375 N 4.39 0.88 0.16 2.11 2.07 -1.14 -1.62 116.25 123.11 1h37 h VAL 375 Ca -0.40 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1h37 h VAL 375 Cb 1.18 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1h37 h VAL 375 CO 0.43 0.06 -0.08 -0.78 0.02 0.00 0.00 177.57 177.22 1h37 h ASP 376 N 0.31 -0.19 -0.30 0.57 1.82 -1.85 -0.91 116.42 115.87 1h37 h ASP 376 Ca 0.24 -0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1h37 h ASP 376 Cb 0.56 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1h37 h ASP 376 CO -0.06 0.16 0.12 0.44 -1.61 0.00 0.00 179.24 178.29 1h37 h ASP 377 N -0.55 0.41 -0.87 2.28 3.32 -1.80 -1.98 116.42 117.23 1h37 h ASP 377 Ca -0.02 -0.17 0.10 0.00 0.02 0.00 0.00 57.03 56.96 1h37 h ASP 377 Cb 0.42 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 1h37 h ASP 377 CO 0.04 0.47 0.51 0.74 -1.72 0.00 0.00 179.24 179.28 1h37 h THR 378 N 0.33 0.92 -0.17 0.35 2.02 -1.31 0.30 112.91 115.34 1h37 h THR 378 Ca 0.10 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1h37 h THR 378 Cb 0.19 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1h37 h THR 378 CO -0.01 0.15 -0.12 0.00 0.37 0.00 0.00 175.52 175.91 1h37 h ALA 379 N 1.47 0.24 -0.45 6.16 0.00 -0.95 -1.24 119.26 124.49 1h37 h ALA 379 Ca 0.42 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1h37 h ALA 379 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1h37 h ALA 379 CO -0.25 0.10 -0.26 0.28 0.00 0.00 0.00 179.25 179.12 1h37 h VAL 380 N 0.04 1.27 -0.15 0.00 2.07 -1.00 -1.30 116.25 117.17 1h37 h VAL 380 Ca 0.03 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 1h37 h VAL 380 Cb 0.63 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1h37 h VAL 380 CO 0.03 0.49 -0.09 0.58 0.02 0.00 0.00 177.57 178.60 1h37 h VAL 381 N 0.82 1.32 -0.85 2.57 2.07 -0.45 -0.48 116.25 121.26 1h37 h VAL 381 Ca 0.10 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1h37 h VAL 381 Cb 0.84 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1h37 h VAL 381 CO 0.07 0.34 0.42 0.58 0.02 0.00 0.00 177.57 179.00 1h37 h VAL 382 N -0.01 1.26 -0.39 2.57 2.07 -1.23 -1.13 116.25 119.40 1h37 h VAL 382 Ca 0.03 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1h37 h VAL 382 Cb 0.57 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1h37 h VAL 382 CO 0.03 0.30 0.01 -0.25 0.02 0.00 0.00 177.57 177.68 1h37 h TRP 383 N 1.20 0.73 -0.37 1.57 7.01 -1.19 -1.93 115.95 122.97 1h37 h TRP 383 Ca 0.29 -0.12 0.02 0.00 2.11 0.00 0.00 58.89 61.19 1h37 h TRP 383 Cb 0.09 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 1h37 h TRP 383 CO 0.01 0.75 0.20 0.00 -2.79 0.00 0.00 178.44 176.61 1h37 h ALA 384 N 0.89 0.46 -0.98 2.65 0.00 -0.77 -1.89 119.26 119.61 1h37 h ALA 384 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1h37 h ALA 384 Cb 0.45 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1h37 h ALA 384 CO 0.02 -0.16 0.63 -0.07 0.00 0.00 0.00 179.25 179.67 1h37 h LEU 385 N 0.40 1.01 0.00 0.00 3.38 -1.05 -0.41 115.31 118.65 1h37 h LEU 385 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1h37 h LEU 385 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1h37 h LEU 385 CO -0.09 0.65 0.00 -3.20 0.09 0.00 0.00 178.44 175.89 1h37 n ASN 386 N -4.52 0.00 -0.73 -0.43 5.15 -0.72 -1.17 115.26 112.85 1h37 n ASN 386 Ca 0.15 0.31 0.06 0.00 -0.60 0.00 0.00 54.58 54.50 1h37 n ASN 386 Cb 0.18 -0.35 0.17 0.00 -0.53 0.00 0.00 39.78 39.25 1h37 n ASN 386 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1h37 n THR 387 N -1.35 0.94 -4.46 -0.44 -2.24 -0.17 -5.00 114.28 101.56 1h37 n THR 387 Ca 0.01 -0.97 -0.26 0.00 -2.27 0.00 0.00 64.05 60.57 1h37 n THR 387 Cb 0.03 0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 1h37 n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h37 s LEU 388 N -1.01 2.87 -0.30 3.22 1.43 -0.31 -4.63 118.68 119.95 1h37 s LEU 388 Ca 0.26 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 1h37 s LEU 388 Cb 0.14 -1.13 0.09 0.00 0.03 0.00 0.00 46.19 45.31 1h37 s LEU 388 CO 0.18 -0.28 0.05 -0.13 0.23 0.00 0.00 176.35 176.40 1h37 s ARG 389 N -3.68 1.19 0.19 1.70 0.52 0.14 -4.98 118.95 114.04 1h37 s ARG 389 Ca 0.34 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.26 1h37 s ARG 389 Cb 0.03 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 1h37 s ARG 389 CO 0.18 -0.88 0.31 -0.51 0.02 0.00 0.00 175.30 174.43 1h37 s LEU 390 N 1.31 4.31 0.14 2.53 1.43 -1.26 -4.48 118.68 122.66 1h37 s LEU 390 Ca 0.07 0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 1h37 s LEU 390 Cb -0.18 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1h37 s LEU 390 CO -0.14 -0.00 1.62 -0.65 0.23 0.00 0.00 176.35 177.40 1h37 h PRO 391 N 1.71 -0.31 -4.73 1.29 0.11 -2.00 -3.26 132.00 124.82 1h37 h PRO 391 Ca -0.50 0.02 -0.72 0.00 0.11 0.00 0.00 66.00 64.91 1h37 h PRO 391 Cb 1.21 0.07 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 1h37 h PRO 391 CO 0.65 -0.20 0.91 0.34 -0.21 0.00 0.00 178.00 179.49 1h37 s ASP 392 N -4.98 6.83 0.19 -2.05 2.15 -1.26 -4.83 116.67 112.72 1h37 s ASP 392 Ca -0.15 -2.52 0.16 0.00 0.43 0.00 0.00 52.55 50.47 1h37 s ASP 392 Cb 0.11 -2.37 0.78 0.00 -0.30 0.00 0.00 42.92 41.14 1h37 s ASP 392 CO 0.67 -0.86 1.49 -0.62 -0.17 0.00 0.00 175.17 175.68 1h37 n GLU 393 N 5.76 0.10 0.07 4.34 -0.58 -1.23 -2.46 120.64 126.64 1h37 n GLU 393 Ca 0.27 0.50 -0.11 0.00 -0.42 0.00 0.00 57.16 57.41 1h37 n GLU 393 Cb 0.46 -1.77 -0.08 0.00 -0.57 0.00 0.00 31.44 29.49 1h37 n GLU 393 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1h37 h ARG 394 N 0.00 -0.23 -0.10 3.49 9.65 -1.92 -2.55 114.38 122.71 1h37 h ARG 394 Ca 0.00 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1h37 h ARG 394 Cb 0.12 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1h37 h ARG 394 CO 0.00 0.18 -0.10 -0.09 2.80 0.00 0.00 179.97 182.76 1h37 h ARG 395 N -0.86 0.15 -0.26 0.20 2.43 -1.91 -0.24 114.38 113.90 1h37 h ARG 395 Ca -0.02 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1h37 h ARG 395 Cb 0.52 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1h37 h ARG 395 CO 0.04 0.26 -0.32 -0.09 -1.51 0.00 0.00 179.97 178.35 1h37 h ARG 396 N 0.15 0.68 -0.41 0.20 2.43 -1.59 0.19 114.38 116.01 1h37 h ARG 396 Ca 0.03 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1h37 h ARG 396 Cb 0.27 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1h37 h ARG 396 CO 0.02 0.99 0.13 -0.09 -1.51 0.00 0.00 179.97 179.51 1h37 h ARG 397 N 0.40 0.64 0.03 0.20 9.65 -0.99 -2.46 114.38 121.85 1h37 h ARG 397 Ca 0.03 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1h37 h ARG 397 Cb 0.89 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 1h37 h ARG 397 CO 0.08 0.63 -0.01 0.22 2.80 0.00 0.00 179.97 183.69 1h37 h ASP 398 N 0.53 -0.03 -0.23 -3.80 3.58 -0.97 -2.90 116.42 112.60 1h37 h ASP 398 Ca 0.13 -0.32 0.05 0.00 0.42 0.00 0.00 57.03 57.31 1h37 h ASP 398 Cb 0.26 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 1h37 h ASP 398 CO -0.00 0.31 -0.10 0.00 -2.88 0.00 0.00 179.24 176.56 1h37 h ALA 399 N 0.59 0.09 -0.85 -0.78 0.00 -0.63 -1.62 119.26 116.06 1h37 h ALA 399 Ca -0.00 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1h37 h ALA 399 Cb 0.35 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1h37 h ALA 399 CO 0.01 -0.52 0.51 0.52 0.00 0.00 0.00 179.25 179.77 1h37 h MET 400 N -0.07 0.86 -0.16 0.00 2.86 -1.48 -1.43 114.93 115.50 1h37 h MET 400 Ca 0.12 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1h37 h MET 400 Cb 0.25 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1h37 h MET 400 CO -0.27 0.57 0.00 1.15 1.06 0.00 0.00 176.91 179.42 1h37 h THR 401 N 0.88 1.25 -0.27 2.22 2.02 -1.24 0.44 112.91 118.22 1h37 h THR 401 Ca 0.39 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1h37 h THR 401 Cb 0.29 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1h37 h THR 401 CO -0.22 0.25 0.15 0.11 0.37 0.00 0.00 175.52 176.19 1h37 h LYS 402 N 0.03 0.31 0.23 6.66 1.57 -1.00 0.07 116.57 124.44 1h37 h LYS 402 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1h37 h LYS 402 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1h37 h LYS 402 CO 0.01 0.20 -0.11 0.78 -0.57 0.00 0.00 179.45 179.76 1h37 h GLY 403 N 0.32 -0.33 -0.31 3.86 0.00 -1.20 -1.90 103.07 103.51 1h37 h GLY 403 Ca 0.10 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.66 1h37 h GLY 403 CO -0.05 -0.12 -0.28 -2.75 0.00 0.00 0.00 176.54 173.34 1h37 h PHE 404 N -0.52 -0.73 -0.62 5.60 3.04 0.07 -0.38 116.94 123.40 1h37 h PHE 404 Ca -0.03 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1h37 h PHE 404 Cb 0.39 0.40 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 1h37 h PHE 404 CO -0.00 -0.35 0.39 0.00 -2.02 0.00 0.00 178.31 176.33 1h37 h ARG 405 N -0.14 0.84 -0.57 1.11 3.08 -0.94 -2.35 114.38 115.40 1h37 h ARG 405 Ca 0.24 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.25 1h37 h ARG 405 Cb 0.52 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1h37 h ARG 405 CO -0.64 0.59 0.35 2.35 -1.07 0.00 0.00 179.97 181.55 1h37 h TRP 406 N 0.85 0.65 -0.13 3.04 7.01 -0.40 -1.01 115.95 125.94 1h37 h TRP 406 Ca 0.23 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.28 1h37 h TRP 406 Cb -0.04 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 1h37 h TRP 406 CO -0.02 0.37 -0.09 0.82 -2.79 0.00 0.00 178.44 176.72 1h37 h ILE 407 N 0.68 0.72 -0.41 2.65 2.04 -0.79 -2.03 117.51 120.37 1h37 h ILE 407 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.15 1h37 h ILE 407 Cb 0.03 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1h37 h ILE 407 CO -0.10 0.00 0.12 0.58 0.00 0.00 0.00 178.15 178.75 1h37 h VAL 408 N -0.10 0.84 0.00 1.67 2.07 -0.89 -0.18 116.25 119.67 1h37 h VAL 408 Ca 0.08 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1h37 h VAL 408 Cb 0.22 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1h37 h VAL 408 CO -0.20 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.05 1h37 n GLY 409 N -1.24 -0.74 0.01 2.17 0.00 -0.44 -1.79 105.19 103.16 1h37 n GLY 409 Ca 0.03 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1h37 n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h37 n MET 410 N -1.37 0.10 -1.64 1.61 2.00 -0.09 -4.96 117.12 112.76 1h37 n MET 410 Ca 0.04 -0.02 -0.49 0.00 0.00 0.00 0.00 57.70 57.23 1h37 n MET 410 Cb 0.10 -1.52 -0.05 0.00 0.00 0.00 0.00 33.22 31.76 1h37 n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1h37 n GLN 411 N -1.64 1.72 -1.81 0.03 7.27 -0.74 -4.60 117.38 117.61 1h37 n GLN 411 Ca 0.03 0.62 -0.29 0.00 0.07 0.00 0.00 57.00 57.43 1h37 n GLN 411 Cb 0.37 -2.34 0.21 0.00 2.41 0.00 0.00 30.24 30.89 1h37 n GLN 411 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1h37 n SER 412 N 3.17 -0.08 0.12 1.69 7.64 -0.51 -4.92 113.62 120.74 1h37 n SER 412 Ca 0.18 -1.45 -0.14 0.00 1.01 0.00 0.00 58.87 58.47 1h37 n SER 412 Cb 0.24 -1.00 -0.08 0.00 -1.01 0.00 0.00 64.21 62.36 1h37 n SER 412 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1h37 h SER 413 N -1.81 -0.21 0.15 6.43 0.02 -1.93 -2.89 113.55 113.32 1h37 h SER 413 Ca -0.42 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1h37 h SER 413 Cb 1.18 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1h37 h SER 413 CO 0.30 -0.10 0.00 -0.46 -1.14 0.00 0.00 176.83 175.43 1h37 n ASN 414 N -5.17 0.07 0.00 3.07 0.23 -1.26 -4.80 115.26 107.41 1h37 n ASN 414 Ca -0.09 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 1h37 n ASN 414 Cb 0.14 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.30 1h37 n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1h37 n GLY 415 N -1.05 0.51 3.93 4.83 0.00 -1.09 -4.48 105.19 107.84 1h37 n GLY 415 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1h37 n GLY 415 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h37 s GLY 416 N -1.13 2.28 0.04 -0.02 0.00 -1.26 -3.25 107.32 103.98 1h37 s GLY 416 Ca 0.00 -1.37 0.09 0.00 0.00 0.00 0.00 44.72 43.44 1h37 s GLY 416 CO 0.00 -1.91 -0.24 -0.98 0.00 0.00 0.00 173.10 169.97 1h37 s TRP 417 N -2.77 2.38 0.00 1.90 0.51 -1.26 -1.42 118.94 118.28 1h37 s TRP 417 Ca 0.38 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.98 1h37 s TRP 417 Cb -0.03 -1.41 0.00 0.00 -0.81 0.00 0.00 33.47 31.22 1h37 s TRP 417 CO 0.24 0.15 0.00 0.41 -0.51 0.00 0.00 176.95 177.23 1h37 n GLY 418 N 1.76 0.72 0.09 0.98 0.00 -1.26 -1.45 105.19 106.03 1h37 n GLY 418 Ca -0.17 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 1h37 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h37 n ALA 419 N -3.00 0.85 -0.01 4.61 0.00 -1.26 -4.57 120.51 117.13 1h37 n ALA 419 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 53.44 52.71 1h37 n ALA 419 Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 1h37 n ALA 419 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h37 n TYR 420 N -4.46 0.00 -4.32 0.00 4.01 -1.26 -0.67 117.16 110.46 1h37 n TYR 420 Ca -0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.37 1h37 n TYR 420 Cb 0.54 -0.30 -0.09 0.00 -0.31 0.00 0.00 39.34 39.17 1h37 n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h37 s ASP 421 N -3.48 1.35 -0.19 7.72 1.01 -1.26 -4.64 116.67 117.18 1h37 s ASP 421 Ca -0.05 -1.50 -0.08 0.00 0.71 0.00 0.00 52.55 51.64 1h37 s ASP 421 Cb 0.07 0.33 -0.04 0.00 1.01 0.00 0.00 42.92 44.29 1h37 s ASP 421 CO 0.50 -0.84 0.07 -0.69 0.21 0.00 0.00 175.17 174.41 1h37 s VAL 422 N -3.68 4.79 -1.60 -1.27 1.01 -1.26 -4.23 120.40 114.15 1h37 s VAL 422 Ca 0.36 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1h37 s VAL 422 Cb 0.06 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.38 1h37 s VAL 422 CO 0.16 0.44 0.69 0.47 0.00 0.00 0.00 175.10 176.86 1h37 n ASP 423 N 3.69 -2.51 -3.97 3.32 8.00 -1.26 -4.81 116.55 119.01 1h37 n ASP 423 Ca -0.16 -0.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.92 1h37 n ASP 423 Cb 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1h37 n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h37 n ASN 424 N -2.77 4.68 -0.01 -2.24 2.85 -1.25 -4.53 115.26 111.99 1h37 n ASN 424 Ca -0.05 -2.98 0.01 0.00 -0.11 0.00 0.00 54.58 51.45 1h37 n ASN 424 Cb 0.55 -1.58 0.01 0.00 1.24 0.00 0.00 39.78 40.01 1h37 n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h37 n THR 425 N 4.40 1.07 -1.65 -0.44 -2.24 -1.26 -2.55 114.28 111.61 1h37 n THR 425 Ca 0.44 -1.10 -0.47 0.00 -2.27 0.00 0.00 64.05 60.66 1h37 n THR 425 Cb 0.39 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1h37 n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1h37 n SER 426 N -0.57 2.54 -0.13 3.42 2.88 -1.26 -4.82 113.62 115.68 1h37 n SER 426 Ca 0.01 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.79 1h37 n SER 426 Cb 0.28 -1.37 0.23 0.00 -0.75 0.00 0.00 64.21 62.61 1h37 n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h37 n ASP 427 N 2.59 0.87 0.20 -3.46 2.03 -1.26 -4.45 116.55 113.08 1h37 n ASP 427 Ca 0.15 -0.67 -0.15 0.00 0.52 0.00 0.00 54.79 54.64 1h37 n ASP 427 Cb 0.28 0.31 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 1h37 n ASP 427 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1h37 h LEU 428 N 0.64 -0.54 -2.45 -2.67 7.12 -1.96 -3.06 115.31 112.38 1h37 h LEU 428 Ca 0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1h37 h LEU 428 Cb 0.52 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1h37 h LEU 428 CO 0.00 -0.34 0.03 1.55 -0.13 0.00 0.00 178.44 179.55 1h37 h PRO 429 N -0.53 0.00 0.00 5.25 0.13 -1.91 -2.79 132.00 132.15 1h37 h PRO 429 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1h37 h PRO 429 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1h37 h PRO 429 CO 0.02 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.88 1h37 n ASN 430 N -2.81 0.00 -0.07 1.44 3.02 -1.15 -3.01 115.26 112.67 1h37 n ASN 430 Ca -0.02 0.30 0.07 0.00 -0.03 0.00 0.00 54.58 54.89 1h37 n ASN 430 Cb 0.08 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 1h37 n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1h37 n HIS 431 N -1.39 0.00 -1.89 3.10 8.25 -1.05 -1.82 115.22 120.42 1h37 n HIS 431 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 1h37 n HIS 431 Cb 0.12 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.25 1h37 n HIS 431 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1h37 s ILE 432 N -2.20 2.30 0.18 1.59 -1.09 -1.16 -4.51 121.20 116.29 1h37 s ILE 432 Ca 0.07 0.24 -0.13 0.00 -2.23 0.00 0.00 60.65 58.60 1h37 s ILE 432 Cb 0.11 -3.13 0.09 0.00 -1.58 0.00 0.00 42.46 37.95 1h37 s ILE 432 CO 0.53 0.01 1.73 -0.65 -1.23 0.00 0.00 174.94 175.34 1h37 h PRO 433 N 1.98 0.28 -1.00 2.79 0.11 -1.92 -2.65 132.00 131.59 1h37 h PRO 433 Ca -0.50 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.74 1h37 h PRO 433 Cb 1.27 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 1h37 h PRO 433 CO 0.60 0.18 0.62 0.35 -0.21 0.00 0.00 178.00 179.54 1h37 h PHE 434 N 0.29 1.09 -0.26 0.65 3.57 -1.90 -3.36 116.94 117.01 1h37 h PHE 434 Ca 0.24 0.03 -0.70 0.00 3.53 0.00 0.00 57.97 61.06 1h37 h PHE 434 Cb 0.28 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1h37 h PHE 434 CO -0.19 0.35 2.88 0.00 -2.23 0.00 0.00 178.31 179.12 1h37 n ASP 436 N 6.54 3.34 -3.70 0.00 5.75 -1.26 -1.92 116.55 125.31 1h37 n ASP 436 Ca 0.51 -2.72 -0.23 0.00 -0.01 0.00 0.00 54.79 52.34 1h37 n ASP 436 Cb 0.41 -0.42 -0.17 0.00 -1.03 0.00 0.00 41.12 39.90 1h37 n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1h37 s PHE 437 N -2.28 0.39 0.00 2.11 5.36 -1.26 -4.75 117.98 117.55 1h37 s PHE 437 Ca 0.34 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1h37 s PHE 437 Cb 0.26 -0.69 0.00 0.00 -0.34 0.00 0.00 43.02 42.25 1h37 s PHE 437 CO 0.09 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 1h37 n GLY 438 N 5.22 -0.62 3.80 13.12 0.00 -1.26 -4.83 105.19 120.61 1h37 n GLY 438 Ca -0.06 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1h37 n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h37 s GLU 439 N 0.00 4.30 0.00 1.61 0.41 -1.26 -4.94 118.70 118.82 1h37 s GLU 439 Ca 0.00 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 1h37 s GLU 439 Cb 0.00 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 1h37 s GLU 439 CO 0.00 0.02 0.13 0.28 -0.49 0.00 0.00 175.26 175.20 1h37 n VAL 440 N -0.16 0.00 -4.27 2.63 0.31 -1.26 -4.88 118.33 110.69 1h37 n VAL 440 Ca 0.05 -0.39 -0.15 0.00 -0.01 0.00 0.00 64.34 63.84 1h37 n VAL 440 Cb 0.52 1.07 -0.10 0.00 -0.91 0.00 0.00 33.84 34.42 1h37 n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1h37 s THR 441 N -0.52 1.32 -0.68 2.52 -4.23 -1.26 -0.09 115.64 112.70 1h37 s THR 441 Ca 0.00 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1h37 s THR 441 Cb 0.00 -1.87 0.18 0.00 1.34 0.00 0.00 72.50 72.16 1h37 s THR 441 CO 0.00 -0.68 0.54 -0.67 -0.54 0.00 0.00 174.62 173.26 1h37 n ASP 442 N -0.18 3.02 -4.89 3.99 2.03 -1.12 -4.75 116.55 114.64 1h37 n ASP 442 Ca -0.10 -3.22 -0.29 0.00 0.52 0.00 0.00 54.79 51.70 1h37 n ASP 442 Cb 0.60 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1h37 n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h37 s PRO 443 N -1.61 3.56 0.49 -0.67 0.04 -1.06 -3.87 135.00 131.89 1h37 s PRO 443 Ca 0.28 0.42 -0.23 0.00 0.04 0.00 0.00 61.00 61.51 1h37 s PRO 443 Cb -0.00 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1h37 s PRO 443 CO -0.14 -0.35 1.17 -2.30 0.04 0.00 0.00 177.00 175.42 1h37 n PRO 444 N -2.46 1.54 -4.21 0.56 -0.02 -1.26 -4.57 135.00 124.59 1h37 n PRO 444 Ca 0.03 0.56 -0.18 0.00 -2.02 0.00 0.00 63.50 61.88 1h37 n PRO 444 Cb 0.55 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 1h37 n PRO 444 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h37 s SER 445 N -0.81 1.85 0.16 2.55 1.04 -0.53 -4.90 113.70 113.07 1h37 s SER 445 Ca 0.67 -0.70 -0.14 0.00 0.48 0.00 0.00 55.95 56.25 1h37 s SER 445 Cb -0.48 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 65.63 1h37 s SER 445 CO 0.54 -0.10 1.79 -0.33 0.98 0.00 0.00 173.24 176.12 1h37 h GLU 446 N 3.96 0.69 -0.57 4.02 3.07 -1.88 -2.23 114.58 121.63 1h37 h GLU 446 Ca -0.41 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.36 1h37 h GLU 446 Cb 1.19 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.93 1h37 h GLU 446 CO 0.44 0.51 0.25 0.38 -1.40 0.00 0.00 179.01 179.20 1h37 h ASP 447 N 0.67 0.77 -0.12 1.42 2.03 -1.90 0.68 116.42 119.97 1h37 h ASP 447 Ca 0.18 -0.15 -0.02 0.00 -0.73 0.00 0.00 57.03 56.31 1h37 h ASP 447 Cb 0.00 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.30 1h37 h ASP 447 CO -0.03 0.71 -0.00 0.58 -1.03 0.00 0.00 179.24 179.46 1h37 h VAL 448 N 0.78 1.26 -0.96 4.15 2.07 -1.86 -2.20 116.25 119.49 1h37 h VAL 448 Ca 0.19 -0.83 0.11 0.00 0.82 0.00 0.00 66.70 66.99 1h37 h VAL 448 Cb 0.16 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1h37 h VAL 448 CO -0.02 0.24 0.61 0.74 0.02 0.00 0.00 177.57 179.17 1h37 h THR 449 N -0.05 0.95 0.44 2.57 2.02 -1.24 -1.05 112.91 116.54 1h37 h THR 449 Ca 0.03 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1h37 h THR 449 Cb 0.37 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1h37 h THR 449 CO 0.01 0.18 -0.21 0.00 0.37 0.00 0.00 175.52 175.86 1h37 h ALA 450 N 1.54 -0.59 -0.80 6.16 0.00 -0.63 -2.05 119.26 122.89 1h37 h ALA 450 Ca 0.46 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.37 1h37 h ALA 450 Cb 0.45 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1h37 h ALA 450 CO -0.22 -0.78 0.53 0.45 0.00 0.00 0.00 179.25 179.23 1h37 h HIS 451 N -0.70 0.53 0.10 0.00 3.86 -0.77 -0.13 115.15 118.06 1h37 h HIS 451 Ca -0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1h37 h HIS 451 Cb 0.51 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1h37 h HIS 451 CO -0.02 0.19 -0.05 0.28 0.86 0.00 0.00 177.93 179.19 1h37 h VAL 452 N 0.45 1.09 -0.73 2.45 2.07 -0.98 -2.07 116.25 118.53 1h37 h VAL 452 Ca 0.40 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1h37 h VAL 452 Cb 0.89 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1h37 h VAL 452 CO -0.14 0.19 0.43 -0.07 0.02 0.00 0.00 177.57 178.00 1h37 h LEU 453 N -0.51 0.67 -1.49 2.57 4.07 -0.53 -0.24 115.31 119.85 1h37 h LEU 453 Ca -0.01 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1h37 h LEU 453 Cb 0.42 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1h37 h LEU 453 CO 0.02 0.44 0.15 -0.08 -1.08 0.00 0.00 178.44 177.89 1h37 h GLU 454 N 0.80 0.49 -0.02 1.13 4.57 -1.04 0.27 114.58 120.78 1h37 h GLU 454 Ca 0.32 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1h37 h GLU 454 Cb 0.15 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1h37 h GLU 454 CO -0.16 0.40 -0.01 0.00 -1.18 0.00 0.00 179.01 178.06 1h37 h PHE 456 N -0.32 0.90 -0.55 0.00 0.04 -0.72 -2.34 116.94 113.94 1h37 h PHE 456 Ca 0.01 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.75 1h37 h PHE 456 Cb 0.39 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1h37 h PHE 456 CO 0.05 0.69 0.37 0.78 -0.60 0.00 0.00 178.31 179.61 1h37 h GLY 457 N 0.99 0.73 2.00 -1.45 0.00 -0.26 -1.15 103.07 103.93 1h37 h GLY 457 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1h37 h GLY 457 CO -0.02 0.22 -0.06 1.48 0.00 0.00 0.00 176.54 178.16 1h37 h SER 458 N 0.64 0.00 1.07 0.19 4.64 -0.82 -0.75 113.55 118.53 1h37 h SER 458 Ca 0.22 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1h37 h SER 458 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1h37 h SER 458 CO -0.06 0.06 -0.98 -0.26 -0.87 0.00 0.00 176.83 174.72 1h37 h PHE 459 N 0.00 0.00 0.00 4.77 0.04 -1.28 -3.49 116.94 116.98 1h37 h PHE 459 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1h37 h PHE 459 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1h37 h PHE 459 CO 0.00 0.58 0.00 0.41 -0.60 0.00 0.00 178.31 178.70 1h37 n GLY 460 N 1.32 3.41 0.45 -1.45 0.00 -0.29 -5.07 105.19 103.56 1h37 n GLY 460 Ca -0.04 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1h37 n GLY 460 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h37 n TYR 461 N 0.00 0.16 -2.50 1.61 4.02 -1.23 -4.79 117.16 114.43 1h37 n TYR 461 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1h37 n TYR 461 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 1h37 n TYR 461 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1h37 n ASP 462 N 1.03 0.48 0.00 7.72 5.75 -1.26 -4.24 116.55 126.02 1h37 n ASP 462 Ca 0.08 -0.26 0.02 0.00 -0.01 0.00 0.00 54.79 54.61 1h37 n ASP 462 Cb -0.01 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 1h37 n ASP 462 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1h37 n ASP 463 N -0.66 0.00 -0.04 -1.12 2.03 -1.12 -2.37 116.55 113.27 1h37 n ASP 463 Ca 0.00 0.24 -0.16 0.00 0.52 0.00 0.00 54.79 55.39 1h37 n ASP 463 Cb 0.00 -0.29 -0.08 0.00 -0.72 0.00 0.00 41.12 40.03 1h37 n ASP 463 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h37 h ALA 464 N 2.17 0.24 -2.71 -1.67 0.00 -1.93 -3.41 119.26 111.95 1h37 h ALA 464 Ca 0.00 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 1h37 h ALA 464 Cb 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 17.86 1h37 h ALA 464 CO 0.00 0.42 0.82 -0.46 0.00 0.00 0.00 179.25 180.03 1h37 s TRP 465 N -3.79 2.99 0.27 0.00 -0.00 -1.00 -4.92 118.94 112.50 1h37 s TRP 465 Ca -0.12 0.86 -0.01 0.00 -0.00 0.00 0.00 56.10 56.82 1h37 s TRP 465 Cb 0.06 -3.89 0.45 0.00 -0.00 0.00 0.00 33.47 30.09 1h37 s TRP 465 CO 0.83 -3.06 1.86 -0.22 -0.00 0.00 0.00 176.95 176.37 1h37 h LYS 466 N 5.59 1.07 -0.07 5.86 3.64 -1.89 -2.74 116.57 128.04 1h37 h LYS 466 Ca -0.45 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1h37 h LYS 466 Cb 1.21 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1h37 h LYS 466 CO 0.83 0.71 -0.07 0.28 -2.27 0.00 0.00 179.45 178.93 1h37 h VAL 467 N 1.10 0.81 -0.42 2.00 2.07 -1.95 -1.20 116.25 118.66 1h37 h VAL 467 Ca 0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.03 1h37 h VAL 467 Cb 0.28 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1h37 h VAL 467 CO -0.21 0.00 0.12 0.40 0.02 0.00 0.00 177.57 177.90 1h37 h ILE 468 N -0.08 0.82 -0.20 4.57 1.08 -1.78 -2.52 117.51 119.40 1h37 h ILE 468 Ca 0.05 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1h37 h ILE 468 Cb 0.16 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 1h37 h ILE 468 CO -0.12 0.05 0.12 -0.09 -0.69 0.00 0.00 178.15 177.42 1h37 h ARG 469 N 0.26 0.27 -0.82 2.37 2.43 -1.20 -0.04 114.38 117.65 1h37 h ARG 469 Ca 0.20 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.51 1h37 h ARG 469 Cb 0.23 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1h37 h ARG 469 CO -0.24 0.21 0.54 0.00 -1.51 0.00 0.00 179.97 178.97 1h37 h ARG 470 N 0.25 0.48 -0.01 0.20 3.08 -0.99 0.20 114.38 117.59 1h37 h ARG 470 Ca 0.07 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1h37 h ARG 470 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1h37 h ARG 470 CO -0.01 0.32 -0.24 0.00 -1.07 0.00 0.00 179.97 178.97 1h37 h ALA 471 N 1.62 0.04 -0.83 0.04 0.00 -0.99 -2.64 119.26 116.52 1h37 h ALA 471 Ca 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h37 h ALA 471 Cb 0.87 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1h37 h ALA 471 CO -0.15 0.08 0.52 0.28 0.00 0.00 0.00 179.25 179.97 1h37 h VAL 472 N -0.47 1.22 -0.54 0.00 2.07 -0.33 -0.18 116.25 118.02 1h37 h VAL 472 Ca -0.03 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1h37 h VAL 472 Cb 0.97 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1h37 h VAL 472 CO 0.05 0.22 0.32 -0.33 0.02 0.00 0.00 177.57 177.85 1h37 h GLU 473 N 1.13 0.63 -0.38 1.57 4.39 -0.66 -0.14 114.58 121.11 1h37 h GLU 473 Ca 0.30 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.01 1h37 h GLU 473 Cb -0.09 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.37 1h37 h GLU 473 CO -0.06 0.41 0.11 -0.92 -1.16 0.00 0.00 179.01 177.39 1h37 h TYR 474 N 0.64 0.18 -0.20 4.33 3.20 -0.72 -1.60 116.97 122.81 1h37 h TYR 474 Ca 0.21 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1h37 h TYR 474 Cb 0.02 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1h37 h TYR 474 CO -0.06 0.05 0.07 -0.07 -1.64 0.00 0.00 178.16 176.51 1h37 h LEU 475 N 0.25 0.29 -0.76 2.82 3.38 -0.69 -2.19 115.31 118.41 1h37 h LEU 475 Ca 0.18 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1h37 h LEU 475 Cb 0.19 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1h37 h LEU 475 CO -0.21 0.41 0.43 0.11 0.09 0.00 0.00 178.44 179.27 1h37 h LYS 476 N 0.16 0.73 0.00 1.13 1.57 -0.73 -0.80 116.57 118.63 1h37 h LYS 476 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1h37 h LYS 476 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1h37 h LYS 476 CO -0.00 0.48 -0.24 0.00 -0.57 0.00 0.00 179.45 179.12 1h37 h ARG 477 N 0.75 0.00 0.00 3.15 3.08 -1.12 -3.12 114.38 117.12 1h37 h ARG 477 Ca 0.35 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.30 1h37 h ARG 477 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1h37 h ARG 477 CO -0.22 0.24 -1.08 0.93 -1.07 0.00 0.00 179.97 178.77 1h37 h GLU 478 N 0.00 0.00 -6.16 0.04 4.39 -0.55 -3.47 114.58 108.83 1h37 h GLU 478 Ca -0.00 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.01 1h37 h GLU 478 Cb 0.62 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.35 1h37 h GLU 478 CO 0.03 0.25 -0.06 0.94 -1.16 0.00 0.00 179.01 179.01 1h37 n GLN 479 N -2.91 0.52 -1.80 2.33 7.27 -0.51 -4.89 117.38 117.39 1h37 n GLN 479 Ca -0.05 0.18 -0.31 0.00 0.07 0.00 0.00 57.00 56.90 1h37 n GLN 479 Cb 0.74 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.90 1h37 n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h37 s LYS 480 N -0.60 3.40 0.30 3.69 -0.14 0.37 -4.92 119.74 121.84 1h37 s LYS 480 Ca 0.73 0.78 0.06 0.00 -1.36 0.00 0.00 55.97 56.18 1h37 s LYS 480 Cb -0.96 -2.05 0.81 0.00 -1.68 0.00 0.00 37.83 33.94 1h37 s LYS 480 CO 0.55 -0.73 1.67 -1.35 -0.76 0.00 0.00 175.35 174.74 1h37 h PRO 481 N -0.44 0.31 -0.22 -1.68 0.11 -1.91 0.37 132.00 128.53 1h37 h PRO 481 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1h37 h PRO 481 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1h37 h PRO 481 CO 0.61 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 1h37 n ASP 482 N -5.11 0.80 -0.13 -2.05 5.75 -1.26 -4.87 116.55 109.69 1h37 n ASP 482 Ca 0.24 -2.02 -0.02 0.00 -0.01 0.00 0.00 54.79 52.99 1h37 n ASP 482 Cb 0.74 -0.14 -0.01 0.00 -1.03 0.00 0.00 41.12 40.69 1h37 n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h37 n GLY 483 N 0.63 0.53 3.91 6.12 0.00 0.13 -4.71 105.19 111.80 1h37 n GLY 483 Ca 0.04 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 1h37 n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h37 s SER 484 N -2.63 5.45 -0.06 1.61 1.04 -1.25 -3.79 113.70 114.07 1h37 s SER 484 Ca 0.00 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.01 1h37 s SER 484 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.21 1h37 s SER 484 CO 0.00 -0.49 -0.18 0.26 0.98 0.00 0.00 173.24 173.81 1h37 s TRP 485 N -2.31 1.89 0.78 5.02 0.51 -1.26 -0.48 118.94 123.09 1h37 s TRP 485 Ca 0.45 -0.63 -0.15 0.00 -2.12 0.00 0.00 56.10 53.66 1h37 s TRP 485 Cb -0.07 -1.28 0.03 0.00 -0.81 0.00 0.00 33.47 31.33 1h37 s TRP 485 CO 0.29 -0.24 0.86 0.34 -0.51 0.00 0.00 176.95 177.69 1h37 n PHE 486 N 3.35 0.22 -4.00 -1.98 7.35 -1.26 -3.23 117.46 117.91 1h37 n PHE 486 Ca -0.19 0.37 -0.31 0.00 -0.76 0.00 0.00 57.45 56.55 1h37 n PHE 486 Cb 0.53 -2.01 -0.15 0.00 0.35 0.00 0.00 39.48 38.20 1h37 n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1h37 s GLY 487 N -1.81 1.84 -0.05 7.13 0.00 -1.00 -4.15 107.32 109.29 1h37 s GLY 487 Ca 0.69 -2.41 -0.25 0.00 0.00 0.00 0.00 44.72 42.75 1h37 s GLY 487 CO 0.55 0.98 1.07 -0.09 0.00 0.00 0.00 173.10 175.61 1h37 h ARG 488 N 7.66 -0.08 -0.51 2.90 9.65 -1.95 -3.36 114.38 128.70 1h37 h ARG 488 Ca -0.06 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1h37 h ARG 488 Cb 1.02 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1h37 h ARG 488 CO 0.51 0.47 0.00 0.91 2.80 0.00 0.00 179.97 184.66 1h37 n TRP 489 N -4.85 1.03 -3.68 2.20 7.02 -1.26 -4.66 117.44 113.24 1h37 n TRP 489 Ca -0.09 -0.60 -0.14 0.00 -1.02 0.00 0.00 57.50 55.65 1h37 n TRP 489 Cb 0.29 -0.15 -0.08 0.00 -2.42 0.00 0.00 31.31 28.94 1h37 n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1h37 s GLY 490 N -1.11 -0.39 -0.56 6.99 0.00 -1.26 -2.78 107.32 108.22 1h37 s GLY 490 Ca 0.41 1.26 -0.26 0.00 0.00 0.00 0.00 44.72 46.14 1h37 s GLY 490 CO 0.21 1.03 1.04 0.14 0.00 0.00 0.00 173.10 175.52 1h37 s VAL 491 N -0.25 4.25 0.00 1.40 1.01 0.11 -4.47 120.40 122.45 1h37 s VAL 491 Ca -0.04 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1h37 s VAL 491 Cb -0.03 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1h37 s VAL 491 CO 0.03 -1.19 0.00 -3.20 0.00 0.00 0.00 175.10 170.74 1h37 n ASN 492 N 7.83 0.00 0.15 3.32 2.85 -1.26 -4.44 115.26 123.71 1h37 n ASN 492 Ca 0.05 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.53 1h37 n ASN 492 Cb 0.48 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.71 1h37 n ASN 492 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1h37 h TYR 493 N 0.00 0.00 -0.16 1.20 0.05 -1.85 -0.48 116.97 115.73 1h37 h TYR 493 Ca 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.57 1h37 h TYR 493 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1h37 h TYR 493 CO 0.00 0.55 -0.72 -0.07 -1.05 0.00 0.00 178.16 176.87 1h37 h LEU 494 N 0.00 0.84 -0.15 3.88 3.38 -1.86 -0.75 115.31 120.64 1h37 h LEU 494 Ca -0.01 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1h37 h LEU 494 Cb 1.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1h37 h LEU 494 CO 0.07 1.31 0.02 0.22 0.09 0.00 0.00 178.44 180.15 1h37 h TYR 495 N 0.50 0.27 0.21 1.13 3.20 -1.70 -1.43 116.97 119.16 1h37 h TYR 495 Ca -0.03 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1h37 h TYR 495 Cb 1.33 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1h37 h TYR 495 CO 0.07 0.44 -0.10 0.78 -1.64 0.00 0.00 178.16 177.71 1h37 h GLY 496 N 0.03 -0.30 0.26 1.82 0.00 -1.13 -2.35 103.07 101.41 1h37 h GLY 496 Ca 0.05 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.58 1h37 h GLY 496 CO 0.00 -0.11 0.08 -0.84 0.00 0.00 0.00 176.54 175.68 1h37 h THR 497 N -0.73 0.67 -0.20 4.70 2.02 -1.10 0.40 112.91 118.67 1h37 h THR 497 Ca -0.03 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1h37 h THR 497 Cb 0.50 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1h37 h THR 497 CO 0.05 0.04 -0.08 1.23 0.37 0.00 0.00 175.52 177.12 1h37 h GLY 498 N 0.21 0.10 0.61 2.16 0.00 -1.30 -1.55 103.07 103.30 1h37 h GLY 498 Ca 0.27 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1h37 h GLY 498 CO -0.37 -0.11 -0.46 0.00 0.00 0.00 0.00 176.54 175.60 1h37 h ALA 499 N 1.13 -1.05 0.10 3.60 0.00 -0.64 -1.87 119.26 120.52 1h37 h ALA 499 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1h37 h ALA 499 Cb 0.21 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1h37 h ALA 499 CO -0.24 -1.13 -0.16 0.28 0.00 0.00 0.00 179.25 178.01 1h37 h VAL 500 N -0.97 0.00 -0.83 0.00 2.07 -0.83 0.23 116.25 115.92 1h37 h VAL 500 Ca -0.06 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.67 1h37 h VAL 500 Cb 0.83 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.47 1h37 h VAL 500 CO -0.03 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.30 1h37 h VAL 501 N -0.27 0.34 -0.19 2.57 2.07 -1.36 0.40 116.25 119.82 1h37 h VAL 501 Ca -0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1h37 h VAL 501 Cb 0.25 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1h37 h VAL 501 CO -0.05 0.03 0.08 -1.28 0.02 0.00 0.00 177.57 176.37 1h37 h SER 502 N 0.18 0.12 0.87 0.57 0.87 -1.10 -1.20 113.55 113.87 1h37 h SER 502 Ca 0.49 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 61.02 1h37 h SER 502 Cb 0.94 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1h37 h SER 502 CO -0.64 0.09 -0.43 0.00 -0.53 0.00 0.00 176.83 175.32 1h37 h ALA 503 N 1.10 -1.19 -1.03 6.23 0.00 0.16 -2.26 119.26 122.27 1h37 h ALA 503 Ca 0.08 -0.26 0.26 0.00 0.00 0.00 0.00 54.91 54.99 1h37 h ALA 503 Cb 0.03 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 1h37 h ALA 503 CO -0.06 -1.17 0.65 -0.07 0.00 0.00 0.00 179.25 178.59 1h37 h LEU 504 N -1.19 0.53 -0.52 0.00 3.38 -0.32 0.42 115.31 117.61 1h37 h LEU 504 Ca -0.12 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1h37 h LEU 504 Cb 0.91 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1h37 h LEU 504 CO 0.19 0.10 0.21 0.50 0.09 0.00 0.00 178.44 179.53 1h37 h LYS 505 N 0.46 0.77 0.00 1.13 3.11 -0.96 -2.89 116.57 118.20 1h37 h LYS 505 Ca 0.61 -0.14 -0.07 0.00 -2.81 0.00 0.00 60.65 58.25 1h37 h LYS 505 Cb 1.41 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 1h37 h LYS 505 CO -0.36 0.68 -0.32 0.00 -2.81 0.00 0.00 179.45 176.64 1h37 h ALA 506 N 1.06 1.37 -0.47 5.00 0.00 0.39 -3.05 119.26 123.56 1h37 h ALA 506 Ca 0.17 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1h37 h ALA 506 Cb 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1h37 h ALA 506 CO -0.02 0.40 0.21 1.33 0.00 0.00 0.00 179.25 181.17 1h37 n VAL 507 N -4.00 1.98 0.00 0.00 0.24 -0.63 -4.62 118.33 111.30 1h37 n VAL 507 Ca -0.02 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1h37 n VAL 507 Cb 0.37 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1h37 n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h37 n GLY 508 N -0.08 2.79 3.20 7.63 0.00 -1.15 -2.80 105.19 114.79 1h37 n GLY 508 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1h37 n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h37 n ILE 509 N -0.81 0.24 -2.82 -0.61 2.08 -1.11 -4.86 119.36 111.48 1h37 n ILE 509 Ca 0.00 -0.49 -0.42 0.00 0.56 0.00 0.00 62.75 62.41 1h37 n ILE 509 Cb 0.00 -0.10 -0.03 0.00 -0.75 0.00 0.00 39.64 38.76 1h37 n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1h37 s ASP 510 N -1.06 7.05 0.02 4.38 2.15 -1.26 -4.68 116.67 123.27 1h37 s ASP 510 Ca 0.53 1.29 0.20 0.00 0.43 0.00 0.00 52.55 55.00 1h37 s ASP 510 Cb -0.38 -2.49 0.84 0.00 -0.30 0.00 0.00 42.92 40.59 1h37 s ASP 510 CO 0.70 -0.43 1.63 0.35 -0.17 0.00 0.00 175.17 177.26 1h37 n THR 511 N 4.70 0.66 0.18 1.71 -2.24 -1.26 -2.99 114.28 115.05 1h37 n THR 511 Ca 0.06 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 1h37 n THR 511 Cb 0.49 -0.84 0.11 0.00 -2.10 0.00 0.00 70.33 67.99 1h37 n THR 511 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1h37 h ARG 512 N 0.00 0.00 -6.24 -0.78 2.43 -1.91 -3.40 114.38 104.48 1h37 h ARG 512 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 1h37 h ARG 512 Cb 0.35 0.00 0.24 0.00 -0.42 0.00 0.00 29.97 30.13 1h37 h ARG 512 CO 0.00 0.03 -1.58 0.39 -1.51 0.00 0.00 179.97 177.30 1h37 n GLU 513 N -3.00 -0.15 0.20 0.20 -0.58 -1.16 -4.71 120.64 111.45 1h37 n GLU 513 Ca 0.03 -0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.59 1h37 n GLU 513 Cb 0.55 -1.26 -0.08 0.00 -0.57 0.00 0.00 31.44 30.08 1h37 n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h37 h PRO 514 N -1.20 -0.51 -0.29 3.49 0.11 -1.92 -2.73 132.00 128.95 1h37 h PRO 514 Ca -0.44 0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.79 1h37 h PRO 514 Cb 1.31 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.52 1h37 h PRO 514 CO 0.26 -0.21 0.22 0.10 -0.21 0.00 0.00 178.00 178.16 1h37 h TYR 515 N -0.79 0.00 -0.17 0.65 -0.00 -1.97 0.44 116.97 115.12 1h37 h TYR 515 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.46 1h37 h TYR 515 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.27 1h37 h TYR 515 CO 0.01 0.00 -0.73 0.82 -0.00 0.00 0.00 178.16 178.26 1h37 h ILE 516 N 0.00 1.28 -0.26 -0.90 1.08 -1.86 -2.71 117.51 114.14 1h37 h ILE 516 Ca 0.14 -1.92 -0.12 0.00 -0.39 0.00 0.00 64.86 62.56 1h37 h ILE 516 Cb 0.57 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1h37 h ILE 516 CO -0.00 0.61 -0.32 1.56 -0.69 0.00 0.00 178.15 179.31 1h37 h GLN 517 N 0.54 0.67 -0.29 2.37 1.08 -0.77 0.46 115.11 119.18 1h37 h GLN 517 Ca -0.04 -0.38 0.08 0.00 -1.45 0.00 0.00 58.65 56.85 1h37 h GLN 517 Cb 1.36 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1h37 h GLN 517 CO 0.15 1.00 0.20 -0.22 -0.95 0.00 0.00 178.83 179.01 1h37 h LYS 518 N 0.40 0.02 0.07 1.46 3.64 -0.20 0.11 116.57 122.06 1h37 h LYS 518 Ca 0.03 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1h37 h LYS 518 Cb 0.90 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1h37 h LYS 518 CO 0.08 0.01 -0.03 0.00 -2.27 0.00 0.00 179.45 177.24 1h37 h ALA 519 N 1.86 -0.09 -0.80 5.00 0.00 -1.13 -2.94 119.26 121.15 1h37 h ALA 519 Ca 0.13 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.02 1h37 h ALA 519 Cb 0.51 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 1h37 h ALA 519 CO -0.00 -0.12 0.21 -0.07 0.00 0.00 0.00 179.25 179.27 1h37 h LEU 520 N -0.97 0.02 0.02 0.00 3.38 -0.27 0.07 115.31 117.56 1h37 h LEU 520 Ca -0.01 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1h37 h LEU 520 Cb 0.47 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1h37 h LEU 520 CO 0.02 -0.08 -0.05 0.44 0.09 0.00 0.00 178.44 178.86 1h37 h ASP 521 N 0.26 -0.15 -1.01 -0.43 3.32 -0.91 -2.10 116.42 115.40 1h37 h ASP 521 Ca 0.47 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.78 1h37 h ASP 521 Cb 0.86 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.36 1h37 h ASP 521 CO -0.57 -0.08 0.61 -0.25 -1.72 0.00 0.00 179.24 177.23 1h37 h TRP 522 N -0.10 1.00 0.11 4.55 7.01 -0.82 0.09 115.95 127.78 1h37 h TRP 522 Ca 0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1h37 h TRP 522 Cb 0.12 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1h37 h TRP 522 CO -0.12 0.11 -0.05 0.28 -2.79 0.00 0.00 178.44 175.87 1h37 h VAL 523 N 0.61 1.05 -0.72 2.65 2.07 -0.69 -2.95 116.25 118.26 1h37 h VAL 523 Ca 0.62 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1h37 h VAL 523 Cb 1.17 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1h37 h VAL 523 CO -0.43 0.15 0.47 -0.33 0.02 0.00 0.00 177.57 177.45 1h37 h GLU 524 N -0.44 0.66 0.00 1.57 5.08 -0.78 -1.72 114.58 118.95 1h37 h GLU 524 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1h37 h GLU 524 Cb 0.36 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1h37 h GLU 524 CO 0.02 0.44 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 1h37 n GLN 525 N -4.49 0.02 -0.08 2.33 6.02 -0.10 -2.70 117.38 118.37 1h37 n GLN 525 Ca 0.11 0.37 0.03 0.00 -0.01 0.00 0.00 57.00 57.50 1h37 n GLN 525 Cb 0.28 -1.54 0.07 0.00 1.02 0.00 0.00 30.24 30.08 1h37 n GLN 525 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1h37 n HIS 526 N -1.57 0.18 -1.95 1.08 8.25 -0.65 -5.00 115.22 115.58 1h37 n HIS 526 Ca 0.02 -0.59 -0.43 0.00 -0.26 0.00 0.00 57.72 56.47 1h37 n HIS 526 Cb 0.10 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1h37 n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1h37 s GLN 527 N -1.35 3.79 1.13 -0.41 0.74 -1.10 -4.71 119.66 117.76 1h37 s GLN 527 Ca 0.13 1.94 -0.12 0.00 0.05 0.00 0.00 55.36 57.36 1h37 s GLN 527 Cb 0.09 -4.10 0.27 0.00 1.10 0.00 0.00 33.01 30.36 1h37 s GLN 527 CO 0.05 -1.31 1.05 -0.80 -0.55 0.00 0.00 175.29 173.73 1h37 s ASN 528 N 4.80 1.20 0.13 6.67 0.01 -0.21 -4.87 114.94 122.66 1h37 s ASN 528 Ca 0.79 1.67 -0.21 0.00 -0.71 0.00 0.00 52.86 54.40 1h37 s ASN 528 Cb -0.30 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 1h37 s ASN 528 CO 0.32 -4.09 1.69 -0.65 -1.51 0.00 0.00 177.10 172.86 1h37 h PRO 529 N -2.55 -0.08 0.00 -0.60 0.11 -1.93 -2.18 132.00 124.77 1h37 h PRO 529 Ca -0.58 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1h37 h PRO 529 Cb 1.32 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1h37 h PRO 529 CO 0.48 -0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.82 1h37 n ASP 530 N -5.23 0.00 0.00 -2.05 5.68 -1.26 -4.76 116.55 108.93 1h37 n ASP 530 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1h37 n ASP 530 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1h37 n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h37 n GLY 531 N -0.67 2.86 2.09 6.12 0.00 -0.82 -4.65 105.19 110.12 1h37 n GLY 531 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1h37 n GLY 531 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 532 N -0.33 -0.39 3.28 -0.02 0.00 -1.26 -3.48 105.19 102.98 1h37 n GLY 532 Ca 0.00 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 1h37 n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h37 s TRP 533 N -2.10 1.55 -0.22 1.61 0.51 -1.26 -1.05 118.94 117.99 1h37 s TRP 533 Ca 0.38 -0.53 -0.27 0.00 -2.12 0.00 0.00 56.10 53.56 1h37 s TRP 533 Cb -0.02 -0.79 0.10 0.00 -0.81 0.00 0.00 33.47 31.95 1h37 s TRP 533 CO 0.26 0.21 0.85 0.20 -0.51 0.00 0.00 176.95 177.97 1h37 s GLY 534 N -2.56 -0.38 -0.06 0.98 0.00 -1.26 -1.75 107.32 102.28 1h37 s GLY 534 Ca 0.12 2.11 -0.01 0.00 0.00 0.00 0.00 44.72 46.94 1h37 s GLY 534 CO 0.04 1.52 -0.02 1.85 0.00 0.00 0.00 173.10 176.50 1h37 s GLU 535 N -0.19 0.71 0.38 2.90 2.12 -1.25 -2.22 118.70 121.16 1h37 s GLU 535 Ca -0.01 0.02 -0.19 0.00 0.36 0.00 0.00 54.97 55.15 1h37 s GLU 535 Cb -0.03 -0.95 -0.10 0.00 0.26 0.00 0.00 34.13 33.31 1h37 s GLU 535 CO 0.00 -0.23 0.86 0.34 -0.54 0.00 0.00 175.26 175.70 1h37 s ASP 536 N 1.61 6.88 0.00 -1.70 2.15 0.11 -4.82 116.67 120.90 1h37 s ASP 536 Ca -0.00 1.53 0.04 0.00 0.43 0.00 0.00 52.55 54.55 1h37 s ASP 536 Cb -0.13 -2.47 0.22 0.00 -0.30 0.00 0.00 42.92 40.23 1h37 s ASP 536 CO -0.04 -0.29 0.93 0.00 -0.17 0.00 0.00 175.17 175.61 1h37 h ARG 538 N 0.00 0.00 0.00 0.00 3.08 -1.93 -3.16 114.38 112.36 1h37 h ARG 538 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h37 h ARG 538 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1h37 h ARG 538 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1h37 n SER 539 N -2.54 0.00 -0.03 7.04 3.41 -0.37 -0.74 113.62 120.39 1h37 n SER 539 Ca 0.03 0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 1h37 n SER 539 Cb 0.35 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1h37 n SER 539 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1h37 n TYR 540 N -1.31 0.93 -0.05 7.33 4.01 -1.20 -4.43 117.16 122.45 1h37 n TYR 540 Ca 0.02 0.33 -0.22 0.00 -0.16 0.00 0.00 57.90 57.87 1h37 n TYR 540 Cb 0.03 -1.17 -0.13 0.00 -0.31 0.00 0.00 39.34 37.76 1h37 n TYR 540 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h37 n GLU 541 N -3.04 0.67 -3.91 -0.72 -0.58 -0.01 -4.79 120.64 108.26 1h37 n GLU 541 Ca -0.19 0.40 -0.29 0.00 -0.42 0.00 0.00 57.16 56.66 1h37 n GLU 541 Cb 1.06 -1.72 -0.16 0.00 -0.57 0.00 0.00 31.44 30.05 1h37 n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1h37 s ASP 542 N -6.97 3.05 0.06 1.62 2.15 0.08 -5.01 116.67 111.65 1h37 s ASP 542 Ca -0.26 -0.77 0.03 0.00 0.43 0.00 0.00 52.55 51.98 1h37 s ASP 542 Cb 0.07 -0.99 0.16 0.00 -0.30 0.00 0.00 42.92 41.86 1h37 s ASP 542 CO 0.68 -0.19 0.98 -0.81 -0.17 0.00 0.00 175.17 175.66 1h37 n PRO 543 N 4.82 0.02 0.23 4.34 -0.04 -1.26 -1.28 135.00 141.84 1h37 n PRO 543 Ca -0.12 0.42 0.15 0.00 -0.04 0.00 0.00 63.50 63.91 1h37 n PRO 543 Cb 0.47 -1.69 0.55 0.00 -0.04 0.00 0.00 33.50 32.79 1h37 n PRO 543 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h37 h ALA 544 N 1.52 1.00 -0.07 0.55 0.00 -1.93 -3.04 119.26 117.28 1h37 h ALA 544 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h37 h ALA 544 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1h37 h ALA 544 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1h37 n TYR 545 N -2.91 0.07 -1.64 0.00 4.01 -0.40 -4.81 117.16 111.48 1h37 n TYR 545 Ca 0.02 -0.04 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1h37 n TYR 545 Cb 0.34 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.34 1h37 n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h37 s ALA 546 N -1.93 2.92 0.00 -0.72 0.00 -1.15 -0.84 121.76 120.04 1h37 s ALA 546 Ca 0.33 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1h37 s ALA 546 Cb 0.20 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1h37 s ALA 546 CO 0.31 -2.52 0.00 0.41 0.00 0.00 0.00 175.76 173.96 1h37 n GLY 547 N 5.47 0.76 3.60 0.00 0.00 -1.26 -5.03 105.19 108.73 1h37 n GLY 547 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1h37 n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h37 s LYS 548 N -0.12 2.48 0.00 1.61 1.02 -0.02 -4.58 119.74 120.12 1h37 s LYS 548 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1h37 s LYS 548 Cb 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1h37 s LYS 548 CO 0.00 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 1h37 n GLY 549 N 1.33 3.07 3.76 -3.33 0.00 -0.94 -0.71 105.19 108.37 1h37 n GLY 549 Ca -0.15 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1h37 n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h37 s ALA 550 N -2.00 2.99 0.22 4.61 0.00 -1.26 -4.05 121.76 122.27 1h37 s ALA 550 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 1h37 s ALA 550 Cb 0.00 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1h37 s ALA 550 CO 0.00 -1.22 1.21 -1.12 0.00 0.00 0.00 175.76 174.63 1h37 s SER 551 N -0.83 7.06 0.10 0.00 0.01 -1.26 -4.07 113.70 114.71 1h37 s SER 551 Ca 0.67 2.31 0.07 0.00 1.31 0.00 0.00 55.95 60.31 1h37 s SER 551 Cb -0.40 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.18 1h37 s SER 551 CO 0.49 -0.37 -0.18 0.42 0.41 0.00 0.00 173.24 174.01 1h37 s THR 552 N -0.31 1.52 0.19 1.44 -4.23 -0.72 -4.93 115.64 108.59 1h37 s THR 552 Ca 0.52 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 59.41 1h37 s THR 552 Cb -0.34 -1.43 0.10 0.00 1.34 0.00 0.00 72.50 72.18 1h37 s THR 552 CO 0.39 -0.15 1.79 -0.65 -0.54 0.00 0.00 174.62 175.46 1h37 h PRO 553 N 4.06 0.53 0.57 3.99 0.11 -1.88 -0.85 132.00 138.52 1h37 h PRO 553 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1h37 h PRO 553 Cb 1.19 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.18 1h37 h PRO 553 CO 0.41 0.35 -0.27 0.66 -0.21 0.00 0.00 178.00 178.94 1h37 h SER 554 N 0.54 -0.64 -0.19 -2.05 4.64 -1.84 -1.64 113.55 112.36 1h37 h SER 554 Ca 0.25 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1h37 h SER 554 Cb 0.18 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1h37 h SER 554 CO -0.18 -0.34 0.12 1.56 -0.87 0.00 0.00 176.83 177.12 1h37 h GLN 555 N -0.94 0.26 -0.28 4.77 4.20 -1.82 -0.34 115.11 120.97 1h37 h GLN 555 Ca -0.08 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1h37 h GLN 555 Cb 0.64 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1h37 h GLN 555 CO 0.13 0.18 0.00 1.15 -0.67 0.00 0.00 178.83 179.62 1h37 h THR 556 N 0.27 1.26 -0.41 -0.54 2.02 -1.09 -2.09 112.91 112.33 1h37 h THR 556 Ca 0.07 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1h37 h THR 556 Cb -0.02 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1h37 h THR 556 CO -0.01 0.29 0.19 0.00 0.37 0.00 0.00 175.52 176.36 1h37 h ALA 557 N 0.83 1.58 -0.05 6.16 0.00 -0.19 -0.11 119.26 127.48 1h37 h ALA 557 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h37 h ALA 557 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h37 h ALA 557 CO 0.01 0.34 -0.05 -1.49 0.00 0.00 0.00 179.25 178.07 1h37 h TRP 558 N 0.56 0.14 -0.28 0.00 6.55 -0.84 -1.28 115.95 120.80 1h37 h TRP 558 Ca 0.14 -0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.90 1h37 h TRP 558 Cb 0.06 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 1h37 h TRP 558 CO 0.00 0.57 -0.01 0.00 -1.05 0.00 0.00 178.44 177.96 1h37 h ALA 559 N 0.55 1.47 -0.20 1.49 0.00 -1.21 -1.70 119.26 119.65 1h37 h ALA 559 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1h37 h ALA 559 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1h37 h ALA 559 CO 0.01 0.38 -0.21 1.25 0.00 0.00 0.00 179.25 180.69 1h37 h LEU 560 N 0.42 0.34 -0.31 0.00 5.85 -0.85 -2.31 115.31 118.45 1h37 h LEU 560 Ca 0.09 -0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 1h37 h LEU 560 Cb 0.29 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1h37 h LEU 560 CO 0.01 0.56 -0.85 0.24 -0.34 0.00 0.00 178.44 178.06 1h37 h MET 561 N 0.31 0.25 -0.67 1.25 2.86 -0.36 -0.88 114.93 117.69 1h37 h MET 561 Ca 0.05 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1h37 h MET 561 Cb 0.55 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1h37 h MET 561 CO 0.04 0.96 0.29 0.00 1.06 0.00 0.00 176.91 179.26 1h37 h ALA 562 N 0.95 0.87 0.03 6.32 0.00 -1.09 -0.49 119.26 125.85 1h37 h ALA 562 Ca -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1h37 h ALA 562 Cb 1.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1h37 h ALA 562 CO 0.13 0.47 -0.01 -0.07 0.00 0.00 0.00 179.25 179.77 1h37 h LEU 563 N 0.94 -0.03 -0.89 0.00 3.38 -1.31 -1.47 115.31 115.93 1h37 h LEU 563 Ca 0.23 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.81 1h37 h LEU 563 Cb 0.17 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1h37 h LEU 563 CO -0.02 0.48 0.53 0.40 0.09 0.00 0.00 178.44 179.92 1h37 h ILE 564 N -0.55 0.93 -0.51 1.22 2.04 -1.11 -1.87 117.51 117.67 1h37 h ILE 564 Ca -0.00 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1h37 h ILE 564 Cb 0.51 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1h37 h ILE 564 CO 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1h37 h ALA 565 N 1.48 0.69 0.00 1.87 0.00 -1.06 -2.97 119.26 119.26 1h37 h ALA 565 Ca 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h37 h ALA 565 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1h37 h ALA 565 CO -0.25 0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1h37 n GLY 566 N -0.36 -0.90 1.84 0.00 0.00 -0.56 -4.87 105.19 100.33 1h37 n GLY 566 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1h37 n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 567 N 0.41 3.21 1.28 -0.02 0.00 -1.05 -4.89 105.19 104.13 1h37 n GLY 567 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h37 n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h37 n ARG 568 N -1.75 0.92 0.11 1.61 1.74 -0.90 -4.23 116.66 114.16 1h37 n ARG 568 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1h37 n ARG 568 Cb 0.00 -1.04 0.21 0.00 -1.02 0.00 0.00 32.46 30.61 1h37 n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h37 h ALA 569 N 1.61 1.07 -0.82 7.54 0.00 -1.79 -3.01 119.26 123.86 1h37 h ALA 569 Ca 0.00 -0.45 -0.54 0.00 0.00 0.00 0.00 54.91 53.91 1h37 h ALA 569 Cb 0.92 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.38 1h37 h ALA 569 CO 0.00 0.63 0.70 -1.91 0.00 0.00 0.00 179.25 178.67 1h37 n GLU 570 N -3.97 2.34 -3.27 0.00 2.13 -1.26 -4.44 120.64 112.18 1h37 n GLU 570 Ca -0.02 -2.67 -0.21 0.00 0.66 0.00 0.00 57.16 54.93 1h37 n GLU 570 Cb 0.52 -2.05 0.03 0.00 0.27 0.00 0.00 31.44 30.21 1h37 n GLU 570 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1h37 s SER 571 N -1.11 5.11 -0.04 4.31 0.15 -1.14 -4.98 113.70 116.00 1h37 s SER 571 Ca 0.53 -0.83 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 1h37 s SER 571 Cb 0.42 0.03 -0.07 0.00 -1.71 0.00 0.00 66.02 64.68 1h37 s SER 571 CO 0.00 -1.09 0.56 -0.08 1.20 0.00 0.00 173.24 173.83 1h37 h GLU 572 N 0.49 -0.45 -0.86 5.44 4.57 -1.92 -1.54 114.58 120.31 1h37 h GLU 572 Ca -0.35 0.03 0.22 0.00 -1.18 0.00 0.00 59.36 58.08 1h37 h GLU 572 Cb 1.29 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.85 1h37 h GLU 572 CO 0.47 -0.30 0.27 0.00 -1.18 0.00 0.00 179.01 178.27 1h37 h ALA 573 N -1.18 1.27 1.01 2.92 0.00 -1.97 0.35 119.26 121.66 1h37 h ALA 573 Ca -0.05 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1h37 h ALA 573 Cb 0.36 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1h37 h ALA 573 CO 0.08 -0.40 -0.48 0.00 0.00 0.00 0.00 179.25 178.44 1h37 h ALA 574 N 1.73 -1.36 -0.29 0.00 0.00 -1.80 -1.07 119.26 116.48 1h37 h ALA 574 Ca 0.53 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h37 h ALA 574 Cb 1.02 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1h37 h ALA 574 CO -0.59 -1.26 0.18 -0.09 0.00 0.00 0.00 179.25 177.49 1h37 h ARG 575 N -1.36 0.38 0.01 0.00 2.43 -0.50 -2.00 114.38 113.35 1h37 h ARG 575 Ca -0.14 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1h37 h ARG 575 Cb 1.04 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1h37 h ARG 575 CO 0.23 0.27 -0.01 0.00 -1.51 0.00 0.00 179.97 178.95 1h37 h ARG 576 N 0.39 -0.02 -0.64 0.20 2.47 -0.12 -1.84 114.38 114.82 1h37 h ARG 576 Ca 0.10 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1h37 h ARG 576 Cb -0.02 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 1h37 h ARG 576 CO -0.02 -0.00 0.34 0.78 0.56 0.00 0.00 179.97 181.63 1h37 h GLY 577 N -0.03 0.95 1.24 0.04 0.00 -0.52 -1.59 103.07 103.16 1h37 h GLY 577 Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1h37 h GLY 577 CO 0.00 0.40 0.16 -2.08 0.00 0.00 0.00 176.54 175.02 1h37 h VAL 578 N 0.90 1.24 -0.15 4.60 2.07 -1.10 -2.30 116.25 121.52 1h37 h VAL 578 Ca 0.23 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1h37 h VAL 578 Cb 0.04 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1h37 h VAL 578 CO -0.04 0.33 0.08 -0.61 0.02 0.00 0.00 177.57 177.35 1h37 h GLN 579 N 0.91 0.17 -0.38 1.57 5.75 -0.46 -1.51 115.11 121.16 1h37 h GLN 579 Ca 0.20 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.75 1h37 h GLN 579 Cb 0.31 -0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.74 1h37 h GLN 579 CO -0.00 0.11 -0.43 -0.92 -2.65 0.00 0.00 178.83 174.94 1h37 h TYR 580 N 0.17 -1.24 -0.52 3.99 5.03 -0.82 0.36 116.97 123.94 1h37 h TYR 580 Ca 0.06 0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.45 1h37 h TYR 580 Cb -0.00 0.60 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1h37 h TYR 580 CO -0.08 -0.44 0.35 -0.07 -1.32 0.00 0.00 178.16 176.59 1h37 h LEU 581 N -0.34 0.57 -0.22 2.82 3.38 -1.28 -0.66 115.31 119.57 1h37 h LEU 581 Ca 0.13 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1h37 h LEU 581 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1h37 h LEU 581 CO -0.56 0.41 -0.01 0.58 0.09 0.00 0.00 178.44 178.95 1h37 h VAL 582 N 0.67 1.26 0.10 1.22 2.07 0.06 -2.86 116.25 118.77 1h37 h VAL 582 Ca 0.20 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1h37 h VAL 582 Cb -0.03 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1h37 h VAL 582 CO -0.05 0.28 -0.05 -0.33 0.02 0.00 0.00 177.57 177.45 1h37 h GLU 583 N 0.16 -0.13 0.00 1.57 5.08 -0.71 -3.25 114.58 117.30 1h37 h GLU 583 Ca 0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1h37 h GLU 583 Cb 0.42 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1h37 h GLU 583 CO 0.01 0.37 0.00 0.25 -1.00 0.00 0.00 179.01 178.64 1h37 n THR 584 N -4.88 1.44 -1.98 1.13 -2.24 -0.29 -4.77 114.28 102.69 1h37 n THR 584 Ca -0.08 0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 61.83 1h37 n THR 584 Cb 0.28 -1.51 -0.01 0.00 -2.10 0.00 0.00 70.33 67.00 1h37 n THR 584 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1h37 s GLN 585 N -3.23 4.09 0.95 -0.78 0.74 -1.08 -4.73 119.66 115.62 1h37 s GLN 585 Ca 0.00 2.32 -0.14 0.00 0.05 0.00 0.00 55.36 57.59 1h37 s GLN 585 Cb 0.04 -2.90 0.16 0.00 1.10 0.00 0.00 33.01 31.41 1h37 s GLN 585 CO 0.14 -0.45 1.19 1.03 -0.55 0.00 0.00 175.29 176.65 1h37 s ARG 586 N -2.09 0.83 0.20 1.67 0.52 -0.51 -4.97 118.95 114.60 1h37 s ARG 586 Ca 0.54 0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.70 1h37 s ARG 586 Cb -0.42 -1.83 0.13 0.00 0.52 0.00 0.00 34.95 33.36 1h37 s ARG 586 CO 0.55 -2.35 1.58 -1.35 0.02 0.00 0.00 175.30 173.75 1h37 h PRO 587 N -1.60 0.78 0.00 3.54 0.11 -1.95 -3.01 132.00 129.87 1h37 h PRO 587 Ca -0.47 -0.35 -0.02 0.00 0.11 0.00 0.00 66.00 65.26 1h37 h PRO 587 Cb 1.30 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h37 h PRO 587 CO 0.52 0.98 -0.09 0.38 -0.21 0.00 0.00 178.00 179.58 1h37 h ASP 588 N 0.66 0.00 0.00 -2.05 3.04 -1.95 -3.46 116.42 112.66 1h37 h ASP 588 Ca 0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1h37 h ASP 588 Cb 0.83 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 1h37 h ASP 588 CO 0.07 0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.97 1h37 n GLY 589 N -0.19 1.95 0.46 7.15 0.00 -1.14 -4.52 105.19 108.90 1h37 n GLY 589 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1h37 n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 590 N 0.00 -1.09 3.28 -0.02 0.00 -1.26 -4.01 105.19 102.08 1h37 n GLY 590 Ca 0.00 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1h37 n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h37 s TRP 591 N -1.30 1.36 0.15 1.61 0.51 -1.26 -1.42 118.94 118.59 1h37 s TRP 591 Ca 0.09 -0.99 0.08 0.00 -2.12 0.00 0.00 56.10 53.15 1h37 s TRP 591 Cb -0.00 -0.78 -0.04 0.00 -0.81 0.00 0.00 33.47 31.84 1h37 s TRP 591 CO 0.06 -0.16 -0.06 -0.51 -0.51 0.00 0.00 176.95 175.77 1h37 s ASP 592 N -3.23 4.50 -0.44 2.95 1.01 -1.26 -4.83 116.67 115.37 1h37 s ASP 592 Ca 0.26 -0.44 0.07 0.00 0.71 0.00 0.00 52.55 53.16 1h37 s ASP 592 Cb 0.06 -0.87 0.18 0.00 1.01 0.00 0.00 42.92 43.30 1h37 s ASP 592 CO 0.06 0.13 0.62 -0.70 0.21 0.00 0.00 175.17 175.50 1h37 s GLU 593 N -2.62 0.88 0.00 8.23 2.12 -1.26 -4.52 118.70 121.53 1h37 s GLU 593 Ca 0.24 -0.64 0.10 0.00 0.36 0.00 0.00 54.97 55.03 1h37 s GLU 593 Cb -0.10 -0.08 0.58 0.00 0.26 0.00 0.00 34.13 34.79 1h37 s GLU 593 CO 0.16 -1.24 1.07 -0.35 -0.54 0.00 0.00 175.26 174.36 1h37 n PRO 594 N 3.89 0.59 -4.40 4.30 -0.04 -1.26 -4.77 135.00 133.30 1h37 n PRO 594 Ca 0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 1h37 n PRO 594 Cb 0.55 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.64 1h37 n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h37 s TYR 595 N -2.00 2.37 0.03 0.54 2.02 -1.26 -4.75 117.35 114.30 1h37 s TYR 595 Ca 0.15 -0.33 -0.24 0.00 -0.37 0.00 0.00 57.07 56.28 1h37 s TYR 595 Cb 0.07 -1.14 -0.06 0.00 -0.40 0.00 0.00 41.96 40.43 1h37 s TYR 595 CO 0.11 0.54 0.71 0.71 -1.57 0.00 0.00 175.55 176.05 1h37 s TYR 596 N -1.83 3.73 -0.01 2.71 1.51 -1.26 -4.92 117.35 117.28 1h37 s TYR 596 Ca 0.23 1.39 0.00 0.00 -1.01 0.00 0.00 57.07 57.69 1h37 s TYR 596 Cb -0.08 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 1h37 s TYR 596 CO 0.12 0.31 0.73 0.25 -1.11 0.00 0.00 175.55 175.84 1h37 n THR 597 N 2.73 0.45 -4.27 -0.71 -2.24 -1.25 -4.78 114.28 104.21 1h37 n THR 597 Ca -0.04 -0.72 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 1h37 n THR 597 Cb 0.50 0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 69.42 1h37 n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h37 s GLY 598 N -0.45 1.89 -0.10 3.38 0.00 -0.84 0.09 107.32 111.29 1h37 s GLY 598 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.83 1h37 s GLY 598 CO 0.00 -0.78 -0.19 -1.59 0.00 0.00 0.00 173.10 170.54 1h37 s THR 599 N -1.08 2.51 -0.16 0.90 2.01 -1.12 -0.85 115.64 117.87 1h37 s THR 599 Ca 0.19 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 1h37 s THR 599 Cb -0.12 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1h37 s THR 599 CO 0.10 0.55 -0.27 0.61 -0.69 0.00 0.00 174.62 174.92 1h37 n GLY 600 N 3.33 -0.70 2.75 4.40 0.00 0.11 -4.41 105.19 110.68 1h37 n GLY 600 Ca -0.18 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1h37 n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h37 s PHE 601 N -2.55 0.23 0.15 1.61 0.08 -0.13 -4.95 117.98 112.42 1h37 s PHE 601 Ca -0.22 0.09 -0.34 0.00 0.12 0.00 0.00 56.93 56.58 1h37 s PHE 601 Cb 0.03 -0.47 -0.16 0.00 -0.57 0.00 0.00 43.02 41.86 1h37 s PHE 601 CO 0.33 -0.18 1.28 -2.30 -0.10 0.00 0.00 175.22 174.25 1h37 n PRO 602 N 4.72 1.32 -0.56 0.24 -0.02 -1.26 -1.07 135.00 138.37 1h37 n PRO 602 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1h37 n PRO 602 Cb 0.50 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1h37 n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h37 n GLY 603 N 2.32 0.31 0.00 -1.23 0.00 -1.26 -4.69 105.19 100.63 1h37 n GLY 603 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1h37 n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h37 n ASP 604 N 0.00 2.64 -3.68 1.61 8.00 -0.23 -5.03 116.55 119.85 1h37 n ASP 604 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1h37 n ASP 604 Cb 0.00 0.23 -0.13 0.00 -0.02 0.00 0.00 41.12 41.19 1h37 n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1h37 s PHE 605 N -1.55 -0.37 0.16 1.24 5.36 -0.65 -4.93 117.98 117.24 1h37 s PHE 605 Ca 0.00 0.89 0.11 0.00 -0.96 0.00 0.00 56.93 56.97 1h37 s PHE 605 Cb 0.00 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.60 1h37 s PHE 605 CO 0.00 -0.31 -0.23 0.71 -1.46 0.00 0.00 175.22 173.92 1h37 s TYR 606 N 2.11 2.35 0.13 10.12 2.02 -1.26 -0.71 117.35 132.11 1h37 s TYR 606 Ca -0.01 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1h37 s TYR 606 Cb -0.12 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1h37 s TYR 606 CO -0.08 0.43 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.66 1h37 s LEU 607 N -2.39 2.39 -0.32 -1.29 1.43 -0.03 -4.42 118.68 114.04 1h37 s LEU 607 Ca 0.18 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1h37 s LEU 607 Cb -0.09 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.53 1h37 s LEU 607 CO 0.09 -0.09 0.05 -0.83 0.23 0.00 0.00 176.35 175.80 1h37 s GLY 608 N -2.38 1.80 -0.73 -3.19 0.00 0.15 -1.98 107.32 100.99 1h37 s GLY 608 Ca 0.09 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 42.80 1h37 s GLY 608 CO 0.04 0.75 0.90 -0.19 0.00 0.00 0.00 173.10 174.60 1h37 s TYR 609 N 1.29 3.03 0.43 1.90 1.51 -1.26 -1.23 117.35 123.02 1h37 s TYR 609 Ca -0.03 -1.10 0.26 0.00 -1.01 0.00 0.00 57.07 55.19 1h37 s TYR 609 Cb -0.20 -4.14 1.30 0.00 -0.11 0.00 0.00 41.96 38.80 1h37 s TYR 609 CO -0.00 -1.41 1.70 1.15 -1.11 0.00 0.00 175.55 175.88 1h37 h THR 610 N 5.80 0.31 0.00 -0.71 2.02 -1.87 -1.20 112.91 117.26 1h37 h THR 610 Ca -0.12 -0.07 -0.19 0.00 0.77 0.00 0.00 66.41 66.80 1h37 h THR 610 Cb 1.06 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1h37 h THR 610 CO 1.09 0.04 -0.95 0.24 0.37 0.00 0.00 175.52 176.31 1h37 h MET 611 N 0.21 0.00 -0.91 6.66 2.86 -1.89 -3.36 114.93 118.50 1h37 h MET 611 Ca 0.71 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 58.60 1h37 h MET 611 Cb 2.10 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 33.60 1h37 h MET 611 CO -0.33 0.84 0.13 1.88 1.06 0.00 0.00 176.91 180.48 1h37 h TYR 612 N 0.00 0.14 0.00 -0.22 -1.99 -1.63 0.26 116.97 113.53 1h37 h TYR 612 Ca -0.03 0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 1h37 h TYR 612 Cb 1.70 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 40.51 1h37 h TYR 612 CO 0.00 -0.33 -0.01 0.07 -0.00 0.00 0.00 178.16 177.89 1h37 h ARG 613 N 0.09 0.00 0.00 4.88 0.11 -1.72 -2.60 114.38 115.14 1h37 h ARG 613 Ca 0.57 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.26 1h37 h ARG 613 Cb 1.17 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.18 1h37 h ARG 613 CO -0.78 0.01 -2.36 0.72 0.10 0.00 0.00 179.97 177.66 1h37 n HIS 614 N -3.47 0.00 -0.02 4.08 8.25 0.77 -4.31 115.22 120.52 1h37 n HIS 614 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1h37 n HIS 614 Cb 0.09 -0.90 -0.09 0.00 1.12 0.00 0.00 29.99 30.22 1h37 n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h37 h VAL 615 N -0.41 1.35 -0.53 1.59 2.07 -1.15 -3.12 116.25 116.05 1h37 h VAL 615 Ca -0.57 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 65.79 1h37 h VAL 615 Cb 1.69 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 1h37 h VAL 615 CO -0.22 0.29 -0.02 -0.26 0.02 0.00 0.00 177.57 177.38 1h37 h PHE 616 N -0.36 1.00 -0.63 1.57 0.04 -1.70 -0.49 116.94 116.37 1h37 h PHE 616 Ca 0.01 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.55 1h37 h PHE 616 Cb 0.47 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1h37 h PHE 616 CO 0.08 0.91 0.13 -1.35 -0.60 0.00 0.00 178.31 177.48 1h37 h PRO 617 N 0.85 1.00 -0.53 1.51 0.11 -1.75 0.15 132.00 133.33 1h37 h PRO 617 Ca 0.15 -0.23 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 1h37 h PRO 617 Cb 0.53 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1h37 h PRO 617 CO 0.03 0.90 0.09 1.15 -0.21 0.00 0.00 178.00 179.96 1h37 h THR 618 N 0.95 1.25 -0.21 -1.15 2.02 -1.43 0.23 112.91 114.57 1h37 h THR 618 Ca 0.20 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 1h37 h THR 618 Cb 0.37 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1h37 h THR 618 CO 0.00 0.34 0.03 0.25 0.37 0.00 0.00 175.52 176.51 1h37 h LEU 619 N 0.77 0.34 -0.50 2.58 5.85 -0.79 -0.27 115.31 123.29 1h37 h LEU 619 Ca 0.16 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1h37 h LEU 619 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1h37 h LEU 619 CO 0.01 0.52 0.29 0.00 -0.34 0.00 0.00 178.44 178.93 1h37 h ALA 620 N 0.83 0.64 -0.26 1.25 0.00 -0.53 -0.96 119.26 120.22 1h37 h ALA 620 Ca 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1h37 h ALA 620 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h37 h ALA 620 CO 0.01 0.13 -0.17 -0.07 0.00 0.00 0.00 179.25 179.15 1h37 h LEU 621 N 0.67 0.45 -0.85 0.00 3.38 -0.89 -0.92 115.31 117.13 1h37 h LEU 621 Ca 0.18 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1h37 h LEU 621 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1h37 h LEU 621 CO -0.03 0.64 -0.13 1.23 0.09 0.00 0.00 178.44 180.24 1h37 h GLY 622 N 0.95 0.77 2.00 0.83 0.00 -0.49 -1.28 103.07 105.86 1h37 h GLY 622 Ca 0.07 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1h37 h GLY 622 CO 0.04 0.54 -0.22 3.21 0.00 0.00 0.00 176.54 180.10 1h37 h ARG 623 N 0.65 0.00 -0.00 4.80 3.08 -0.77 -2.80 114.38 119.33 1h37 h ARG 623 Ca 0.11 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 1h37 h ARG 623 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.65 1h37 h ARG 623 CO 0.04 0.22 -0.77 -0.92 -1.07 0.00 0.00 179.97 177.47 1h37 h TYR 624 N 0.00 0.79 0.00 3.04 3.20 -0.80 -2.92 116.97 120.27 1h37 h TYR 624 Ca -0.00 -0.42 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1h37 h TYR 624 Cb 1.04 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1h37 h TYR 624 CO 0.00 1.25 -0.07 -0.22 -1.64 0.00 0.00 178.16 177.48 1h37 h LYS 625 N 0.10 0.00 -0.00 1.82 3.64 -1.21 -0.79 116.57 120.13 1h37 h LYS 625 Ca -0.10 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1h37 h LYS 625 Cb 1.46 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 1h37 h LYS 625 CO 0.15 0.07 -0.79 1.96 -2.27 0.00 0.00 179.45 178.57 1h37 h GLN 626 N 0.00 0.03 0.00 1.90 1.08 -1.37 -2.57 115.11 114.18 1h37 h GLN 626 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1h37 h GLN 626 Cb 0.21 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1h37 h GLN 626 CO 0.01 0.81 0.00 0.00 -0.95 0.00 0.00 178.83 178.70 1h37 n ALA 627 N -2.40 2.23 -0.19 3.87 0.00 -0.30 -4.40 120.51 119.31 1h37 n ALA 627 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1h37 n ALA 627 Cb 0.76 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1h37 n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1h37 n ILE 628 N -0.92 0.00 0.00 0.00 -0.00 -1.18 -4.99 119.36 112.27 1h37 n ILE 628 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 1h37 n ILE 628 Cb 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 39.64 39.55 1h37 n ILE 628 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76