#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h56 s TYR 3 N 0.00 2.93 -0.31 -0.14 1.51 -1.26 -1.42 117.35 118.65 2h56 s TYR 3 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 2h56 s TYR 3 Cb 0.00 -2.02 0.14 0.00 -0.11 0.00 0.00 41.96 39.97 2h56 s TYR 3 CO 0.00 -0.03 0.31 -0.06 -1.11 0.00 0.00 175.55 174.65 2h56 s PHE 4 N -2.29 -0.33 0.81 2.71 0.08 -0.57 -4.97 117.98 113.41 2h56 s PHE 4 Ca 0.46 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.94 2h56 s PHE 4 Cb -0.07 -0.49 0.08 0.00 -0.57 0.00 0.00 43.02 41.97 2h56 s PHE 4 CO 0.29 -0.93 1.16 0.45 -0.10 0.00 0.00 175.22 176.10 2h56 s SER 5 N 2.04 4.51 0.00 1.36 0.15 -1.26 -2.87 113.70 117.63 2h56 s SER 5 Ca 0.12 0.85 0.26 0.00 0.70 0.00 0.00 55.95 57.88 2h56 s SER 5 Cb -0.15 -1.39 1.30 0.00 -1.71 0.00 0.00 66.02 64.07 2h56 s SER 5 CO -0.24 -1.91 1.89 0.35 1.20 0.00 0.00 173.24 174.54 2h56 n THR 6 N -3.33 0.15 1.17 6.45 -2.24 -1.26 -1.58 114.28 113.65 2h56 n THR 6 Ca 0.08 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 2h56 n THR 6 Cb 0.60 -0.60 0.51 0.00 -2.10 0.00 0.00 70.33 68.74 2h56 n THR 6 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2h56 n ASP 7 N -1.32 0.36 -4.76 3.42 10.43 -1.26 -4.50 116.55 118.92 2h56 n ASP 7 Ca 0.12 -0.19 -0.40 0.00 2.57 0.00 0.00 54.79 56.88 2h56 n ASP 7 Cb 0.23 -0.10 -0.04 0.00 1.84 0.00 0.00 41.12 43.05 2h56 n ASP 7 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2h56 s SER 8 N -2.77 7.10 0.55 -2.24 1.04 -0.61 -4.86 113.70 111.90 2h56 s SER 8 Ca 0.20 2.41 0.28 0.00 0.48 0.00 0.00 55.95 59.31 2h56 s SER 8 Cb 0.19 -2.63 1.60 0.00 0.10 0.00 0.00 66.02 65.28 2h56 s SER 8 CO 0.55 -0.28 2.15 1.55 0.98 0.00 0.00 173.24 178.19 2h56 h PRO 9 N 3.65 0.00 -0.27 4.02 0.13 -1.92 0.81 132.00 138.43 2h56 h PRO 9 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2h56 h PRO 9 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2h56 h PRO 9 CO 0.66 0.07 -0.23 0.93 -0.23 0.00 0.00 178.00 179.20 2h56 h GLU 10 N 0.00 0.63 -0.23 0.86 3.07 -1.93 -1.67 114.58 115.31 2h56 h GLU 10 Ca -0.00 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.36 58.43 2h56 h GLU 10 Cb 0.20 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2h56 h GLU 10 CO 0.01 0.92 -0.27 0.28 -1.40 0.00 0.00 179.01 178.55 2h56 h VAL 11 N 0.36 1.32 -0.78 3.13 2.07 -1.36 -2.26 116.25 118.73 2h56 h VAL 11 Ca 0.05 -1.46 0.15 0.00 0.82 0.00 0.00 66.70 66.26 2h56 h VAL 11 Cb 0.79 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2h56 h VAL 11 CO 0.06 0.45 0.52 0.11 0.02 0.00 0.00 177.57 178.73 2h56 h LYS 12 N 0.28 0.46 -0.09 1.57 1.57 -0.92 -1.95 116.57 117.48 2h56 h LYS 12 Ca 0.03 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2h56 h LYS 12 Cb 0.84 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2h56 h LYS 12 CO 0.07 0.30 -0.12 1.15 -0.57 0.00 0.00 179.45 180.28 2h56 h THR 13 N 0.47 1.38 0.00 -0.16 2.02 -1.04 -3.09 112.91 112.48 2h56 h THR 13 Ca 0.38 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 2h56 h THR 13 Cb 0.81 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2h56 h THR 13 CO -0.13 0.37 -0.02 0.16 0.37 0.00 0.00 175.52 176.27 2h56 h ILE 14 N -0.19 0.06 -0.01 3.11 3.07 -0.79 -2.84 117.51 119.92 2h56 h ILE 14 Ca 0.01 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.81 2h56 h ILE 14 Cb 0.66 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 2h56 h ILE 14 CO 0.03 0.02 -0.38 1.33 -1.05 0.00 0.00 178.15 178.10 2h56 n VAL 15 N -3.12 0.00 -0.17 0.16 0.24 -0.81 -4.30 118.33 110.32 2h56 n VAL 15 Ca 0.01 -0.23 -0.01 0.00 -2.04 0.00 0.00 64.34 62.07 2h56 n VAL 15 Cb 0.34 0.98 0.08 0.00 -1.47 0.00 0.00 33.84 33.77 2h56 n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h56 h ALA 16 N 3.87 0.59 -0.74 2.33 0.00 -1.42 -1.95 119.26 121.94 2h56 h ALA 16 Ca 0.00 0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 2h56 h ALA 16 Cb 0.68 0.19 -0.35 0.00 0.00 0.00 0.00 17.79 18.31 2h56 h ALA 16 CO 0.00 -0.33 -0.33 1.04 0.00 0.00 0.00 179.25 179.63 2h56 n GLN 17 N -5.15 3.15 -3.18 0.00 3.00 -1.26 -4.84 117.38 109.10 2h56 n GLN 17 Ca 0.07 -3.84 -0.13 0.00 -0.01 0.00 0.00 57.00 53.09 2h56 n GLN 17 Cb 0.28 -2.21 -0.05 0.00 0.00 0.00 0.00 30.24 28.26 2h56 n GLN 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2h56 s ASP 18 N -3.06 0.15 0.22 1.08 -1.08 -0.73 -4.92 116.67 108.31 2h56 s ASP 18 Ca 0.53 -1.86 -0.08 0.00 -0.52 0.00 0.00 52.55 50.62 2h56 s ASP 18 Cb 0.43 0.89 0.28 0.00 -1.46 0.00 0.00 42.92 43.06 2h56 s ASP 18 CO 0.02 -0.17 1.80 0.28 0.52 0.00 0.00 175.17 177.62 2h56 h SER 19 N 6.16 0.51 -0.37 -0.34 0.02 -1.89 -1.15 113.55 116.50 2h56 h SER 19 Ca 0.10 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2h56 h SER 19 Cb 1.05 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2h56 h SER 19 CO 0.17 0.32 0.13 0.03 -1.14 0.00 0.00 176.83 176.34 2h56 h ARG 20 N 0.65 0.56 -0.71 3.45 3.08 -1.95 0.13 114.38 119.60 2h56 h ARG 20 Ca 0.32 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2h56 h ARG 20 Cb 0.26 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2h56 h ARG 20 CO -0.22 0.56 0.42 1.25 -1.07 0.00 0.00 179.97 180.91 2h56 h LEU 21 N 0.45 0.85 0.16 3.04 5.85 -1.90 -1.77 115.31 121.99 2h56 h LEU 21 Ca 0.12 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2h56 h LEU 21 Cb 0.22 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2h56 h LEU 21 CO -0.01 0.66 -0.08 0.15 -0.34 0.00 0.00 178.44 178.83 2h56 h PHE 22 N 0.98 -0.20 -0.79 1.25 3.57 -0.44 0.51 116.94 121.81 2h56 h PHE 22 Ca 0.25 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2h56 h PHE 22 Cb -0.02 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 2h56 h PHE 22 CO 0.00 -0.12 0.51 1.96 -2.23 0.00 0.00 178.31 178.44 2h56 h GLN 23 N -0.22 0.98 -0.22 1.11 4.20 -0.80 -1.09 115.11 119.05 2h56 h GLN 23 Ca -0.02 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2h56 h GLN 23 Cb 0.17 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2h56 h GLN 23 CO 0.04 0.65 -0.28 0.35 -0.67 0.00 0.00 178.83 178.91 2h56 h PHE 24 N 1.01 0.71 0.37 2.96 3.57 -0.98 -2.63 116.94 121.95 2h56 h PHE 24 Ca 0.31 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2h56 h PHE 24 Cb -0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2h56 h PHE 24 CO -0.03 0.95 -0.32 0.82 -2.23 0.00 0.00 178.31 177.50 2h56 h ILE 25 N 0.28 0.33 -1.12 1.41 2.04 -0.81 0.38 117.51 120.01 2h56 h ILE 25 Ca 0.03 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.20 2h56 h ILE 25 Cb 0.86 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 2h56 h ILE 25 CO 0.07 0.00 0.74 -0.33 0.00 0.00 0.00 178.15 178.63 2h56 h GLU 26 N -0.70 0.25 0.08 2.37 3.07 -1.21 -0.59 114.58 117.84 2h56 h GLU 26 Ca -0.03 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.69 2h56 h GLU 26 Cb 0.62 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2h56 h GLU 26 CO -0.04 0.16 -0.56 0.82 -1.40 0.00 0.00 179.01 178.00 2h56 h ILE 27 N 0.26 1.58 0.00 3.13 2.04 -1.04 -3.38 117.51 120.09 2h56 h ILE 27 Ca 0.62 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 64.03 2h56 h ILE 27 Cb 1.84 3.22 0.00 0.00 -0.74 0.00 0.00 36.82 41.15 2h56 h ILE 27 CO -0.24 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.57 2h56 h ALA 28 N 0.03 1.00 0.00 1.87 0.00 0.78 -3.49 119.26 119.44 2h56 h ALA 28 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2h56 h ALA 28 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2h56 h ALA 28 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2h56 n GLY 29 N 0.75 0.28 3.88 0.00 0.00 -0.33 -4.94 105.19 104.84 2h56 n GLY 29 Ca 0.03 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 2h56 n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h56 s GLU 30 N 0.00 3.71 0.32 1.61 -1.05 -1.26 -4.69 118.70 117.33 2h56 s GLU 30 Ca 0.00 0.38 0.04 0.00 -0.15 0.00 0.00 54.97 55.24 2h56 s GLU 30 Cb 0.00 -2.40 -0.06 0.00 -0.44 0.00 0.00 34.13 31.23 2h56 s GLU 30 CO 0.00 -0.07 0.04 0.14 0.95 0.00 0.00 175.26 176.32 2h56 s VAL 31 N -2.46 1.30 0.08 1.83 -7.23 -1.14 -5.00 120.40 107.78 2h56 s VAL 31 Ca 0.50 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.56 2h56 s VAL 31 Cb -0.10 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2h56 s VAL 31 CO 0.35 -0.05 0.20 0.00 -0.31 0.00 0.00 175.10 175.30 2h56 s GLN 32 N -3.86 0.82 -0.18 4.82 -2.07 -1.26 -1.51 119.66 116.42 2h56 s GLN 32 Ca 0.35 -0.86 -0.04 0.00 -1.82 0.00 0.00 55.36 53.00 2h56 s GLN 32 Cb 0.08 0.34 0.06 0.00 -1.09 0.00 0.00 33.01 32.40 2h56 s GLN 32 CO 0.15 -0.26 0.06 -1.17 -1.32 0.00 0.00 175.29 172.75 2h56 s LEU 33 N -2.65 0.77 0.39 2.60 2.96 -0.51 -5.02 118.68 117.22 2h56 s LEU 33 Ca 0.02 -0.70 -0.24 0.00 -0.22 0.00 0.00 54.13 52.99 2h56 s LEU 33 Cb 0.03 -0.42 -0.10 0.00 0.50 0.00 0.00 46.19 46.21 2h56 s LEU 33 CO -0.09 -0.32 1.00 -2.16 -1.32 0.00 0.00 176.35 173.45 2h56 s PRO 34 N 2.00 4.27 -0.12 0.98 0.04 -1.26 -2.66 135.00 138.24 2h56 s PRO 34 Ca 0.01 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 2h56 s PRO 34 Cb -0.16 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 2h56 s PRO 34 CO -0.08 -0.02 -0.04 0.99 0.04 0.00 0.00 177.00 177.88 2h56 s THR 35 N -1.77 3.88 0.13 1.26 2.01 -1.26 -4.59 115.64 115.30 2h56 s THR 35 Ca 0.57 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 2h56 s THR 35 Cb -0.18 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.61 2h56 s THR 35 CO 0.23 0.54 1.09 -0.75 -0.69 0.00 0.00 174.62 175.04 2h56 s LYS 36 N -0.19 4.58 0.12 4.92 2.47 -0.99 -4.97 119.74 125.67 2h56 s LYS 36 Ca 0.03 1.66 -0.26 0.00 -1.56 0.00 0.00 55.97 55.84 2h56 s LYS 36 Cb -0.13 -3.32 -0.07 0.00 -1.46 0.00 0.00 37.83 32.84 2h56 s LYS 36 CO 0.02 0.02 1.44 -1.35 0.16 0.00 0.00 175.35 175.65 2h56 h PRO 37 N 5.66 -0.17 -5.15 4.03 0.11 -1.93 -3.42 132.00 131.14 2h56 h PRO 37 Ca -0.43 0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.02 2h56 h PRO 37 Cb 1.21 0.04 -0.34 0.00 0.11 0.00 0.00 31.00 32.02 2h56 h PRO 37 CO 0.74 -0.11 -0.87 1.21 -0.21 0.00 0.00 178.00 178.77 2h56 s ASN 38 N -4.82 3.03 0.17 -2.05 3.84 -1.26 -5.03 114.94 108.82 2h56 s ASN 38 Ca -0.11 -0.58 -0.13 0.00 0.21 0.00 0.00 52.86 52.25 2h56 s ASN 38 Cb 0.08 -1.40 0.06 0.00 -0.55 0.00 0.00 41.25 39.44 2h56 s ASN 38 CO 0.50 0.07 1.75 1.55 -2.79 0.00 0.00 177.10 178.19 2h56 h PRO 39 N 7.32 0.79 -0.27 0.43 0.13 -1.88 -1.29 132.00 137.23 2h56 h PRO 39 Ca -0.32 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2h56 h PRO 39 Cb 1.19 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2h56 h PRO 39 CO 0.55 0.65 0.15 0.35 -0.23 0.00 0.00 178.00 179.47 2h56 h PHE 40 N 0.74 0.29 -0.46 1.56 3.57 -1.93 0.10 116.94 120.81 2h56 h PHE 40 Ca 0.19 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 2h56 h PHE 40 Cb 0.12 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2h56 h PHE 40 CO -0.00 0.17 0.21 0.37 -2.23 0.00 0.00 178.31 176.83 2h56 h GLN 41 N 0.32 0.41 -0.38 1.11 -0.00 -1.68 -1.08 115.11 113.80 2h56 h GLN 41 Ca 0.10 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.60 2h56 h GLN 41 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 2h56 h GLN 41 CO -0.05 0.27 -0.29 0.66 0.00 0.00 0.00 178.83 179.42 2h56 h SER 42 N 0.42 0.84 -0.33 -0.69 4.64 -0.76 0.15 113.55 117.80 2h56 h SER 42 Ca 0.21 -0.33 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 2h56 h SER 42 Cb 0.15 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 2h56 h SER 42 CO -0.17 1.07 0.09 0.25 -0.87 0.00 0.00 176.83 177.19 2h56 h LEU 43 N 0.69 0.06 -0.54 5.97 5.85 -0.57 -1.23 115.31 125.55 2h56 h LEU 43 Ca 0.08 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 2h56 h LEU 43 Cb 0.82 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2h56 h LEU 43 CO 0.07 0.07 -0.40 0.58 -0.34 0.00 0.00 178.44 178.42 2h56 h VAL 44 N 0.21 1.29 0.00 1.05 2.07 -0.68 -2.82 116.25 117.36 2h56 h VAL 44 Ca 0.15 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 2h56 h VAL 44 Cb 0.15 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2h56 h VAL 44 CO -0.18 0.51 -0.19 0.77 0.02 0.00 0.00 177.57 178.50 2h56 h SER 45 N 0.61 0.00 -0.17 0.57 4.64 -0.56 -1.89 113.55 116.75 2h56 h SER 45 Ca 0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2h56 h SER 45 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2h56 h SER 45 CO 0.09 0.19 -0.07 0.28 -0.87 0.00 0.00 176.83 176.45 2h56 h SER 46 N 0.00 0.36 -0.53 4.97 0.02 -0.98 -0.93 113.55 116.46 2h56 h SER 46 Ca -0.00 -0.39 0.06 0.00 -0.84 0.00 0.00 61.79 60.61 2h56 h SER 46 Cb 0.62 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 2h56 h SER 46 CO 0.02 0.67 0.25 0.40 -1.14 0.00 0.00 176.83 177.04 2h56 h ILE 47 N 0.04 0.92 -0.57 3.27 2.04 -1.37 -1.54 117.51 120.29 2h56 h ILE 47 Ca 0.04 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2h56 h ILE 47 Cb 0.53 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2h56 h ILE 47 CO 0.02 0.09 0.33 0.58 0.00 0.00 0.00 178.15 179.17 2h56 h VAL 48 N 0.48 1.17 -0.15 1.67 2.07 -1.24 -3.00 116.25 117.25 2h56 h VAL 48 Ca 0.24 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2h56 h VAL 48 Cb 0.19 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2h56 h VAL 48 CO -0.19 0.18 -0.26 -0.33 0.02 0.00 0.00 177.57 176.99 2h56 h GLU 49 N 0.79 0.27 -6.19 1.57 5.08 -0.14 -3.46 114.58 112.50 2h56 h GLU 49 Ca 0.21 -0.09 -0.71 0.00 -1.00 0.00 0.00 59.36 57.76 2h56 h GLU 49 Cb -0.01 -0.02 0.06 0.00 0.50 0.00 0.00 28.75 29.28 2h56 h GLU 49 CO -0.04 0.52 0.28 1.04 -1.00 0.00 0.00 179.01 179.82 2h56 n GLN 50 N -4.15 0.77 -2.57 2.33 6.02 -0.99 -2.01 117.38 116.77 2h56 n GLN 50 Ca -0.01 0.28 -0.15 0.00 -0.01 0.00 0.00 57.00 57.11 2h56 n GLN 50 Cb 0.37 -1.84 -0.00 0.00 1.02 0.00 0.00 30.24 29.79 2h56 n GLN 50 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2h56 n GLN 51 N 2.07 -2.46 -4.10 -1.09 6.02 -1.26 -5.01 117.38 111.57 2h56 n GLN 51 Ca 0.18 0.63 -0.12 0.00 -0.01 0.00 0.00 57.00 57.68 2h56 n GLN 51 Cb 0.16 -5.26 -0.11 0.00 1.02 0.00 0.00 30.24 26.05 2h56 n GLN 51 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2h56 s LEU 52 N -5.80 2.33 0.94 1.08 1.43 -0.85 -5.11 118.68 112.69 2h56 s LEU 52 Ca 0.06 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.37 2h56 s LEU 52 Cb -0.03 -0.14 0.16 0.00 0.03 0.00 0.00 46.19 46.20 2h56 s LEU 52 CO 0.08 -0.28 1.12 -1.54 0.23 0.00 0.00 176.35 175.95 2h56 n SER 53 N 1.02 0.09 -0.18 2.29 3.41 -1.26 -4.75 113.62 114.24 2h56 n SER 53 Ca -0.20 0.37 -0.07 0.00 -0.26 0.00 0.00 58.87 58.71 2h56 n SER 53 Cb 0.56 -1.45 0.02 0.00 -0.26 0.00 0.00 64.21 63.08 2h56 n SER 53 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2h56 h ILE 54 N -1.97 1.17 -0.64 -1.33 -2.65 -1.98 -0.28 117.51 109.83 2h56 h ILE 54 Ca -0.45 -0.41 0.05 0.00 1.03 0.00 0.00 64.86 65.09 2h56 h ILE 54 Cb 1.28 0.50 -0.05 0.00 -2.05 0.00 0.00 36.82 36.49 2h56 h ILE 54 CO 0.41 0.18 0.35 0.50 0.03 0.00 0.00 178.15 179.63 2h56 h LYS 55 N 0.69 0.64 0.55 0.16 3.11 -2.00 -1.90 116.57 117.83 2h56 h LYS 55 Ca 0.18 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.96 2h56 h LYS 55 Cb 0.02 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.12 2h56 h LYS 55 CO -0.03 0.42 -0.26 0.00 -2.81 0.00 0.00 179.45 176.77 2h56 h ALA 56 N 1.33 -0.74 -0.41 5.00 0.00 -1.87 -2.80 119.26 119.78 2h56 h ALA 56 Ca 0.28 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2h56 h ALA 56 Cb 0.17 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2h56 h ALA 56 CO -0.17 -0.82 0.27 0.00 0.00 0.00 0.00 179.25 178.53 2h56 h ALA 57 N -0.58 1.85 0.00 0.00 0.00 -0.94 -1.36 119.26 118.23 2h56 h ALA 57 Ca -0.08 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2h56 h ALA 57 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2h56 h ALA 57 CO 0.12 0.10 -0.92 0.66 0.00 0.00 0.00 179.25 179.21 2h56 h SER 58 N 0.43 0.00 -0.33 0.00 4.64 -1.39 -0.83 113.55 116.07 2h56 h SER 58 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2h56 h SER 58 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2h56 h SER 58 CO -0.04 0.92 0.18 0.00 -0.87 0.00 0.00 176.83 177.02 2h56 h ALA 59 N 1.08 0.42 0.44 5.18 0.00 -0.99 -0.76 119.26 124.64 2h56 h ALA 59 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2h56 h ALA 59 Cb 1.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2h56 h ALA 59 CO 0.12 -0.06 -0.21 0.82 0.00 0.00 0.00 179.25 179.92 2h56 h ILE 60 N 0.41 0.49 -0.98 0.00 2.04 -1.30 -2.71 117.51 115.45 2h56 h ILE 60 Ca 0.12 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.65 2h56 h ILE 60 Cb 0.05 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 2h56 h ILE 60 CO -0.02 0.07 0.62 0.22 0.00 0.00 0.00 178.15 179.04 2h56 h TYR 61 N -0.87 1.15 -0.62 1.37 3.20 -1.17 0.17 116.97 120.19 2h56 h TYR 61 Ca -0.06 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.95 2h56 h TYR 61 Cb 0.57 -0.37 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 2h56 h TYR 61 CO 0.01 0.54 0.20 0.78 -1.64 0.00 0.00 178.16 178.05 2h56 h GLY 62 N 1.08 0.86 1.23 1.82 0.00 -1.12 -1.15 103.07 105.78 2h56 h GLY 62 Ca 0.45 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 2h56 h GLY 62 CO -0.21 -0.06 0.08 3.21 0.00 0.00 0.00 176.54 179.55 2h56 h ARG 63 N 0.36 0.95 -0.43 4.80 -0.00 -0.40 -1.79 114.38 117.86 2h56 h ARG 63 Ca 0.32 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.98 59.56 2h56 h ARG 63 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.28 2h56 h ARG 63 CO -0.35 0.89 0.24 0.28 0.00 0.00 0.00 179.97 181.03 2h56 h VAL 64 N 0.89 1.15 -0.08 2.04 2.07 -0.24 -2.28 116.25 119.81 2h56 h VAL 64 Ca 0.18 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2h56 h VAL 64 Cb 0.42 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2h56 h VAL 64 CO 0.01 0.16 0.05 -0.33 0.02 0.00 0.00 177.57 177.48 2h56 h GLU 65 N 0.57 0.06 -0.44 1.57 5.08 -0.84 -0.40 114.58 120.17 2h56 h GLU 65 Ca 0.15 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2h56 h GLU 65 Cb 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2h56 h GLU 65 CO -0.03 0.04 0.21 1.96 -1.00 0.00 0.00 179.01 180.20 2h56 h GLN 66 N 0.06 0.64 -0.50 2.33 4.20 -0.79 -1.43 115.11 119.61 2h56 h GLN 66 Ca 0.03 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2h56 h GLN 66 Cb 0.05 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2h56 h GLN 66 CO -0.00 0.55 0.30 -0.07 -0.67 0.00 0.00 178.83 178.94 2h56 h LEU 67 N 0.58 0.59 0.00 1.46 3.38 -0.58 -2.16 115.31 118.58 2h56 h LEU 67 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2h56 h LEU 67 Cb 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2h56 h LEU 67 CO -0.02 0.46 -0.59 1.33 0.09 0.00 0.00 178.44 179.70 2h56 n VAL 68 N -4.43 0.13 -2.58 1.22 0.24 -1.04 -4.98 118.33 106.89 2h56 n VAL 68 Ca 0.04 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 2h56 n VAL 68 Cb 0.07 0.11 0.03 0.00 -1.47 0.00 0.00 33.84 32.59 2h56 n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2h56 n GLY 69 N 1.43 0.28 0.00 7.63 0.00 -0.60 -4.98 105.19 108.95 2h56 n GLY 69 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2h56 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h56 n GLY 70 N -1.02 0.76 3.75 -0.02 0.00 -0.82 -5.05 105.19 102.78 2h56 n GLY 70 Ca -0.06 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2h56 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h56 n ALA 71 N -0.88 2.11 -2.60 4.61 0.00 -1.26 -4.66 120.51 117.83 2h56 n ALA 71 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2h56 n ALA 71 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 2h56 n ALA 71 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2h56 s LEU 72 N -1.44 3.66 -0.03 0.00 2.96 -1.26 -4.85 118.68 117.73 2h56 s LEU 72 Ca 0.56 -0.00 0.12 0.00 -0.22 0.00 0.00 54.13 54.59 2h56 s LEU 72 Cb -0.51 -3.09 -0.18 0.00 0.50 0.00 0.00 46.19 42.91 2h56 s LEU 72 CO 0.60 -1.38 0.23 -1.84 -1.32 0.00 0.00 176.35 172.64 2h56 n GLU 73 N 8.09 0.61 -3.73 1.98 -0.00 -1.26 -4.10 120.64 122.23 2h56 n GLU 73 Ca 0.07 -0.09 -0.12 0.00 -0.00 0.00 0.00 57.16 57.01 2h56 n GLU 73 Cb 0.49 -1.28 -0.11 0.00 -0.00 0.00 0.00 31.44 30.54 2h56 n GLU 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2h56 s LYS 74 N -2.75 0.40 0.50 3.44 0.00 -1.26 -4.66 119.74 115.41 2h56 s LYS 74 Ca -0.04 0.58 0.23 0.00 0.00 0.00 0.00 55.97 56.74 2h56 s LYS 74 Cb 0.07 0.13 1.30 0.00 0.00 0.00 0.00 37.83 39.33 2h56 s LYS 74 CO 0.49 -0.08 1.94 -1.00 0.00 0.00 0.00 175.35 176.69 2h56 h PRO 75 N 6.05 0.14 0.00 1.78 0.13 -1.97 -2.36 132.00 135.77 2h56 h PRO 75 Ca -0.30 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2h56 h PRO 75 Cb 1.18 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2h56 h PRO 75 CO 0.29 0.09 -0.06 0.93 -0.23 0.00 0.00 178.00 179.02 2h56 h GLU 76 N 0.14 0.00 0.00 0.86 3.07 -1.96 -0.06 114.58 116.63 2h56 h GLU 76 Ca 0.34 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 2h56 h GLU 76 Cb 1.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2h56 h GLU 76 CO -0.05 0.06 -0.03 1.96 -1.40 0.00 0.00 179.01 179.56 2h56 h GLN 77 N 0.00 0.00 0.00 2.33 4.20 -1.85 -2.71 115.11 117.08 2h56 h GLN 77 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2h56 h GLN 77 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2h56 h GLN 77 CO 0.01 0.03 -0.93 1.28 -0.67 0.00 0.00 178.83 178.55 2h56 n LEU 78 N -3.16 0.63 -0.27 1.46 4.77 -0.04 -4.54 117.00 115.85 2h56 n LEU 78 Ca -0.01 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 2h56 n LEU 78 Cb 0.25 -0.12 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 2h56 n LEU 78 CO 0.26 0.05 1.12 0.22 -1.33 0.00 0.00 177.39 177.71 2h56 h TYR 79 N 0.00 0.77 -0.55 -1.77 3.20 -1.45 -1.77 116.97 115.41 2h56 h TYR 79 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2h56 h TYR 79 Cb 0.70 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2h56 h TYR 79 CO 0.00 0.32 0.00 0.54 -1.64 0.00 0.00 178.16 177.38 2h56 n ARG 80 N -4.77 4.45 -3.72 1.82 5.12 -1.26 -4.88 116.66 113.43 2h56 n ARG 80 Ca 0.12 -3.08 -0.36 0.00 -1.93 0.00 0.00 57.85 52.60 2h56 n ARG 80 Cb 0.25 -2.15 -0.10 0.00 -1.16 0.00 0.00 32.46 29.31 2h56 n ARG 80 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2h56 s VAL 81 N -2.60 5.21 0.52 1.55 1.01 -0.67 -5.08 120.40 120.34 2h56 s VAL 81 Ca 0.52 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 2h56 s VAL 81 Cb 0.39 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 2h56 s VAL 81 CO 0.17 0.36 1.02 -0.94 0.00 0.00 0.00 175.10 175.71 2h56 s SER 82 N 0.98 6.28 0.27 3.32 1.04 -1.26 -4.93 113.70 119.39 2h56 s SER 82 Ca 0.07 1.79 -0.02 0.00 0.48 0.00 0.00 55.95 58.27 2h56 s SER 82 Cb -0.13 -2.54 0.41 0.00 0.10 0.00 0.00 66.02 63.85 2h56 s SER 82 CO 0.04 -0.82 1.89 0.44 0.98 0.00 0.00 173.24 175.76 2h56 h ASP 83 N 1.11 1.04 -0.53 7.02 3.32 -1.98 -1.97 116.42 124.44 2h56 h ASP 83 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 2h56 h ASP 83 Cb 1.21 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2h56 h ASP 83 CO 0.59 0.67 0.32 -0.33 -1.72 0.00 0.00 179.24 178.78 2h56 h GLU 84 N 1.18 0.71 -0.52 3.56 3.07 -1.99 -0.02 114.58 120.58 2h56 h GLU 84 Ca 0.42 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 2h56 h GLU 84 Cb 0.14 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 2h56 h GLU 84 CO -0.16 0.51 0.28 0.00 -1.40 0.00 0.00 179.01 178.24 2h56 h ALA 85 N 1.16 0.66 -0.98 3.43 0.00 -1.84 -0.92 119.26 120.76 2h56 h ALA 85 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2h56 h ALA 85 Cb -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2h56 h ALA 85 CO -0.04 0.18 0.65 -0.07 0.00 0.00 0.00 179.25 179.98 2h56 h LEU 86 N 0.69 1.12 -0.72 0.00 3.38 -0.77 -0.66 115.31 118.34 2h56 h LEU 86 Ca 0.18 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2h56 h LEU 86 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2h56 h LEU 86 CO -0.03 0.80 0.12 0.03 0.09 0.00 0.00 178.44 179.45 2h56 h ARG 87 N 1.31 1.10 0.00 1.13 3.08 -0.55 -1.66 114.38 118.79 2h56 h ARG 87 Ca 0.37 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2h56 h ARG 87 Cb -0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2h56 h ARG 87 CO -0.09 1.00 -0.21 1.96 -1.07 0.00 0.00 179.97 181.56 2h56 h GLN 88 N 1.03 0.00 0.00 0.04 4.20 -0.49 -1.35 115.11 118.54 2h56 h GLN 88 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2h56 h GLN 88 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2h56 h GLN 88 CO 0.01 0.21 0.00 0.00 -0.67 0.00 0.00 178.83 178.38 2h56 n ALA 89 N -2.43 2.04 0.00 3.87 0.00 -0.32 -4.90 120.51 118.78 2h56 n ALA 89 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2h56 n ALA 89 Cb 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2h56 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h56 n GLY 90 N 0.82 1.15 3.70 0.00 0.00 -0.51 -4.55 105.19 105.80 2h56 n GLY 90 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2h56 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h56 s VAL 91 N -2.00 4.97 0.82 1.61 1.01 -0.68 -4.97 120.40 121.16 2h56 s VAL 91 Ca 0.00 1.56 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 2h56 s VAL 91 Cb 0.00 -4.10 0.09 0.00 0.00 0.00 0.00 36.38 32.37 2h56 s VAL 91 CO 0.00 0.16 1.13 -0.94 0.00 0.00 0.00 175.10 175.45 2h56 s SER 92 N 0.97 3.78 0.19 3.32 1.04 -1.26 -4.00 113.70 117.74 2h56 s SER 92 Ca 0.39 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.77 2h56 s SER 92 Cb -0.18 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.52 2h56 s SER 92 CO 0.17 -2.53 1.85 0.50 0.98 0.00 0.00 173.24 174.21 2h56 h LYS 93 N -1.30 0.80 -0.08 4.02 3.64 -1.98 -0.90 116.57 120.78 2h56 h LYS 93 Ca -0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2h56 h LYS 93 Cb 1.26 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2h56 h LYS 93 CO 0.47 0.53 0.04 -0.09 -2.27 0.00 0.00 179.45 178.12 2h56 h ARG 94 N 0.83 0.08 -0.32 1.90 9.65 -2.00 -0.84 114.38 123.67 2h56 h ARG 94 Ca 0.24 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.07 2h56 h ARG 94 Cb -0.05 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2h56 h ARG 94 CO -0.07 0.05 -0.02 0.87 2.80 0.00 0.00 179.97 183.60 2h56 h LYS 95 N 0.08 0.51 -0.52 0.20 1.57 -1.82 -1.59 116.57 115.00 2h56 h LYS 95 Ca 0.03 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2h56 h LYS 95 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2h56 h LYS 95 CO -0.02 0.55 0.29 0.82 -0.57 0.00 0.00 179.45 180.52 2h56 h ILE 96 N 0.49 1.17 -0.49 1.86 2.04 -0.74 -0.58 117.51 121.26 2h56 h ILE 96 Ca 0.10 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2h56 h ILE 96 Cb 0.35 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2h56 h ILE 96 CO 0.01 0.18 0.24 -0.08 0.00 0.00 0.00 178.15 178.51 2h56 h GLU 97 N 0.70 0.46 -0.87 2.37 4.81 -0.32 -0.17 114.58 121.56 2h56 h GLU 97 Ca 0.18 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2h56 h GLU 97 Cb 0.04 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2h56 h GLU 97 CO -0.03 0.30 0.46 1.88 -0.73 0.00 0.00 179.01 180.90 2h56 h TYR 98 N 0.47 1.21 -0.43 0.92 0.05 -1.09 -1.78 116.97 116.32 2h56 h TYR 98 Ca 0.22 -0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.85 2h56 h TYR 98 Cb 0.14 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 2h56 h TYR 98 CO -0.11 0.84 -0.20 0.82 -1.05 0.00 0.00 178.16 178.46 2h56 h ILE 99 N 1.22 1.27 -0.72 -2.88 2.04 0.54 -0.14 117.51 118.84 2h56 h ILE 99 Ca 0.31 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 2h56 h ILE 99 Cb 0.05 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2h56 h ILE 99 CO -0.05 0.45 0.32 0.03 0.00 0.00 0.00 178.15 178.90 2h56 h ARG 100 N 0.74 1.06 -0.22 2.37 2.47 -0.90 -1.84 114.38 118.05 2h56 h ARG 100 Ca 0.10 -0.17 0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2h56 h ARG 100 Cb 0.73 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 2h56 h ARG 100 CO 0.06 0.85 0.13 0.45 0.56 0.00 0.00 179.97 182.02 2h56 h HIS 101 N 1.02 0.25 -0.64 3.04 3.86 -0.45 -1.79 115.15 120.44 2h56 h HIS 101 Ca 0.24 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.57 2h56 h HIS 101 Cb 0.16 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 28.47 2h56 h HIS 101 CO 0.01 0.15 0.22 0.28 0.86 0.00 0.00 177.93 179.45 2h56 h VAL 102 N 0.27 0.72 -0.65 2.45 2.07 -0.68 -2.24 116.25 118.19 2h56 h VAL 102 Ca 0.08 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2h56 h VAL 102 Cb -0.01 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2h56 h VAL 102 CO -0.03 0.07 0.41 0.00 0.02 0.00 0.00 177.57 178.04 2h56 h GLU 104 N 0.82 0.51 -0.22 0.00 5.08 -0.78 0.32 114.58 120.31 2h56 h GLU 104 Ca 0.25 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2h56 h GLU 104 Cb -0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2h56 h GLU 104 CO -0.09 0.34 0.06 0.45 -1.00 0.00 0.00 179.01 178.77 2h56 h HIS 105 N 0.52 0.37 -0.41 4.33 3.86 -1.17 -0.41 115.15 122.25 2h56 h HIS 105 Ca 0.17 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 2h56 h HIS 105 Cb 0.00 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 2h56 h HIS 105 CO -0.07 0.45 -0.01 0.28 0.86 0.00 0.00 177.93 179.44 2h56 h VAL 106 N 0.18 1.26 0.00 2.45 2.07 -0.90 -2.44 116.25 118.88 2h56 h VAL 106 Ca 0.07 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 2h56 h VAL 106 Cb 0.26 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2h56 h VAL 106 CO -0.00 0.35 -0.30 -0.33 0.02 0.00 0.00 177.57 177.31 2h56 h GLU 107 N 0.56 0.00 -0.00 1.57 5.08 -0.25 -2.66 114.58 118.88 2h56 h GLU 107 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2h56 h GLU 107 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2h56 h GLU 107 CO 0.02 0.30 -0.56 -1.13 -1.00 0.00 0.00 179.01 176.64 2h56 n SER 108 N -3.66 0.88 0.00 1.42 3.41 -0.17 -4.95 113.62 110.55 2h56 n SER 108 Ca -0.01 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 2h56 n SER 108 Cb 0.42 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 2h56 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h56 n GLY 109 N 1.46 2.62 0.35 5.00 0.00 -0.96 -4.90 105.19 108.75 2h56 n GLY 109 Ca 0.07 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.31 2h56 n GLY 109 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2h56 h ARG 110 N 2.39 0.38 -4.53 1.61 3.08 -1.75 -3.25 114.38 112.31 2h56 h ARG 110 Ca 0.00 -0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.35 2h56 h ARG 110 Cb 0.00 -0.09 -0.38 0.00 0.08 0.00 0.00 29.97 29.59 2h56 h ARG 110 CO 0.00 0.25 -0.64 -1.17 -1.07 0.00 0.00 179.97 177.35 2h56 s LEU 111 N -10.32 4.96 -0.21 3.04 2.96 -0.96 -5.01 118.68 113.13 2h56 s LEU 111 Ca -0.10 -2.16 -0.01 0.00 -0.22 0.00 0.00 54.13 51.64 2h56 s LEU 111 Cb 0.29 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 45.28 2h56 s LEU 111 CO 0.79 -0.44 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.64 2h56 s ASP 112 N 1.22 3.77 0.47 3.68 2.15 -1.23 -4.36 116.67 122.37 2h56 s ASP 112 Ca 0.10 -0.71 0.26 0.00 0.43 0.00 0.00 52.55 52.64 2h56 s ASP 112 Cb -0.21 -1.59 1.03 0.00 -0.30 0.00 0.00 42.92 41.86 2h56 s ASP 112 CO -0.06 -0.05 1.87 -0.26 -0.17 0.00 0.00 175.17 176.50 2h56 h PHE 113 N 7.98 0.00 0.14 -5.34 0.04 -1.97 -1.71 116.94 116.08 2h56 h PHE 113 Ca -0.40 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.37 2h56 h PHE 113 Cb 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 2h56 h PHE 113 CO 0.53 0.16 -0.07 1.15 -0.60 0.00 0.00 178.31 179.49 2h56 h THR 114 N 0.00 0.99 -0.98 -1.55 2.02 -2.00 -2.68 112.91 108.71 2h56 h THR 114 Ca -0.00 -1.05 0.28 0.00 0.77 0.00 0.00 66.41 66.41 2h56 h THR 114 Cb 0.68 1.59 -0.14 0.00 -1.74 0.00 0.00 68.15 68.54 2h56 h THR 114 CO 0.02 0.23 0.52 -0.33 0.37 0.00 0.00 175.52 176.33 2h56 h GLU 115 N -0.74 0.37 0.00 6.66 3.07 -1.90 -0.66 114.58 121.38 2h56 h GLU 115 Ca -0.02 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2h56 h GLU 115 Cb 0.52 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2h56 h GLU 115 CO 0.03 0.25 0.00 -0.07 -1.40 0.00 0.00 179.01 177.82 2h56 h LEU 116 N 0.38 0.00 -0.29 1.33 3.38 -1.32 -3.32 115.31 115.47 2h56 h LEU 116 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 2h56 h LEU 116 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2h56 h LEU 116 CO -0.57 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.34 2h56 n GLU 117 N -2.42 0.04 -2.71 1.13 -0.58 -0.25 -2.48 120.64 113.37 2h56 n GLU 117 Ca 0.04 0.43 -0.05 0.00 -0.42 0.00 0.00 57.16 57.17 2h56 n GLU 117 Cb 0.39 -1.61 0.08 0.00 -0.57 0.00 0.00 31.44 29.72 2h56 n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2h56 n GLY 118 N -0.84 1.63 3.94 0.62 0.00 -1.25 -5.12 105.19 104.18 2h56 n GLY 118 Ca 0.01 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2h56 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h56 s ALA 119 N -1.71 3.69 0.41 4.61 0.00 -1.04 -5.07 121.76 122.66 2h56 s ALA 119 Ca 0.22 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 2h56 s ALA 119 Cb 0.41 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 2h56 s ALA 119 CO -0.05 -0.25 1.20 -1.83 0.00 0.00 0.00 175.76 174.84 2h56 s GLU 120 N -4.49 3.97 0.28 0.00 4.04 -1.26 -4.83 118.70 116.41 2h56 s GLU 120 Ca 0.45 1.91 -0.03 0.00 0.04 0.00 0.00 54.97 57.34 2h56 s GLU 120 Cb -0.10 -2.65 0.39 0.00 0.02 0.00 0.00 34.13 31.79 2h56 s GLU 120 CO 0.38 -0.41 1.94 0.00 -1.84 0.00 0.00 175.26 175.33 2h56 h ALA 121 N 2.55 1.38 -0.99 -0.84 0.00 -1.97 0.18 119.26 119.57 2h56 h ALA 121 Ca -0.49 -0.05 0.33 0.00 0.00 0.00 0.00 54.91 54.70 2h56 h ALA 121 Cb 1.24 -0.35 -0.16 0.00 0.00 0.00 0.00 17.79 18.53 2h56 h ALA 121 CO 0.62 0.55 0.51 1.15 0.00 0.00 0.00 179.25 182.09 2h56 h THR 122 N 1.20 0.24 0.14 0.00 2.02 -1.99 -0.92 112.91 113.59 2h56 h THR 122 Ca 0.35 -0.08 -0.21 0.00 0.77 0.00 0.00 66.41 67.24 2h56 h THR 122 Cb -0.07 -0.03 0.02 0.00 -1.74 0.00 0.00 68.15 66.33 2h56 h THR 122 CO -0.09 0.04 -0.93 0.74 0.37 0.00 0.00 175.52 175.65 2h56 h THR 123 N 0.24 1.43 -0.34 3.16 2.02 -1.02 -2.63 112.91 115.77 2h56 h THR 123 Ca 0.73 -2.52 0.06 0.00 0.77 0.00 0.00 66.41 65.45 2h56 h THR 123 Cb 1.71 3.12 -0.05 0.00 -1.74 0.00 0.00 68.15 71.19 2h56 h THR 123 CO -0.65 0.72 0.02 0.58 0.37 0.00 0.00 175.52 176.55 2h56 h VAL 124 N -0.35 0.77 -0.38 3.16 2.07 -0.89 -0.83 116.25 119.81 2h56 h VAL 124 Ca -0.17 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2h56 h VAL 124 Cb 1.68 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2h56 h VAL 124 CO 0.14 0.02 0.14 0.40 0.02 0.00 0.00 177.57 178.30 2h56 h ILE 125 N 0.12 1.15 -0.20 4.57 5.03 -1.25 -1.84 117.51 125.10 2h56 h ILE 125 Ca 0.16 -0.47 -0.02 0.00 -0.12 0.00 0.00 64.86 64.41 2h56 h ILE 125 Cb 0.21 0.71 -0.01 0.00 -3.03 0.00 0.00 36.82 34.70 2h56 h ILE 125 CO -0.26 0.18 0.04 -0.08 -0.68 0.00 0.00 178.15 177.35 2h56 h GLU 126 N 0.53 0.32 -0.41 2.37 4.22 -0.98 -1.31 114.58 119.32 2h56 h GLU 126 Ca 0.13 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 2h56 h GLU 126 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2h56 h GLU 126 CO -0.01 0.46 0.13 0.87 -2.18 0.00 0.00 179.01 178.28 2h56 h LYS 127 N 0.13 0.64 -0.13 1.92 1.79 -0.76 -2.62 116.57 117.54 2h56 h LYS 127 Ca 0.06 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2h56 h LYS 127 Cb 0.29 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2h56 h LYS 127 CO 0.00 0.63 0.01 -0.07 -1.08 0.00 0.00 179.45 178.95 2h56 h LEU 128 N 0.53 0.21 -0.06 2.94 3.38 -1.32 -3.28 115.31 117.70 2h56 h LEU 128 Ca 0.13 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2h56 h LEU 128 Cb 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2h56 h LEU 128 CO -0.00 0.45 0.00 0.35 0.09 0.00 0.00 178.44 179.32 2h56 n THR 129 N -4.80 0.61 0.32 0.22 -2.24 -0.50 -2.13 114.28 105.76 2h56 n THR 129 Ca -0.06 -0.24 0.19 0.00 -2.27 0.00 0.00 64.05 61.68 2h56 n THR 129 Cb 0.19 -0.64 0.99 0.00 -2.10 0.00 0.00 70.33 68.78 2h56 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h56 h ALA 130 N 2.50 1.27 -2.49 6.98 0.00 -1.52 -3.41 119.26 122.60 2h56 h ALA 130 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2h56 h ALA 130 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2h56 h ALA 130 CO 0.00 -0.19 0.43 0.42 0.00 0.00 0.00 179.25 179.91 2h56 s ILE 131 N -4.21 4.48 0.10 0.00 1.01 -0.90 -4.98 121.20 116.69 2h56 s ILE 131 Ca -0.04 1.87 -0.31 0.00 0.00 0.00 0.00 60.65 62.16 2h56 s ILE 131 Cb 0.12 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 2h56 s ILE 131 CO 0.38 0.19 1.55 -0.75 0.00 0.00 0.00 174.94 176.31 2h56 s LYS 132 N 0.67 4.24 0.00 2.79 2.20 -1.26 -2.20 119.74 126.17 2h56 s LYS 132 Ca 0.52 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 2h56 s LYS 132 Cb -0.24 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2h56 s LYS 132 CO 0.29 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2h56 n GLY 133 N 3.79 0.25 3.10 5.54 0.00 -1.26 -4.62 105.19 111.98 2h56 n GLY 133 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2h56 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h56 s ILE 134 N -2.00 2.35 0.23 -0.61 1.01 -0.94 -4.99 121.20 116.25 2h56 s ILE 134 Ca 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 60.65 59.19 2h56 s ILE 134 Cb 0.00 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.18 2h56 s ILE 134 CO 0.00 0.02 0.31 0.61 0.00 0.00 0.00 174.94 175.89 2h56 n GLY 135 N 4.50 1.82 0.37 6.18 0.00 -1.26 -4.29 105.19 112.50 2h56 n GLY 135 Ca -0.15 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 2h56 n GLY 135 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2h56 h GLN 136 N 0.00 -0.76 -0.42 1.61 1.08 -1.95 -1.62 115.11 113.05 2h56 h GLN 136 Ca -0.11 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.23 2h56 h GLN 136 Cb 0.48 0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 27.99 2h56 h GLN 136 CO 0.15 -0.51 -0.29 2.35 -0.95 0.00 0.00 178.83 179.58 2h56 h TRP 137 N -0.79 -0.77 -0.52 2.96 7.01 -1.97 0.45 115.95 122.32 2h56 h TRP 137 Ca -0.05 0.06 0.07 0.00 2.11 0.00 0.00 58.89 61.07 2h56 h TRP 137 Cb 0.66 0.40 -0.06 0.00 -2.10 0.00 0.00 29.16 28.07 2h56 h TRP 137 CO -0.12 -0.35 0.20 1.15 -2.79 0.00 0.00 178.44 176.52 2h56 h THR 138 N -0.21 0.84 -0.60 2.65 2.02 -1.90 -1.56 112.91 114.15 2h56 h THR 138 Ca 0.19 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2h56 h THR 138 Cb 0.51 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2h56 h THR 138 CO -0.54 0.07 0.34 0.00 0.37 0.00 0.00 175.52 175.76 2h56 h ALA 139 N 1.34 0.77 0.00 6.16 0.00 -0.11 0.47 119.26 127.89 2h56 h ALA 139 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2h56 h ALA 139 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2h56 h ALA 139 CO -0.24 0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.68 2h56 n GLU 140 N -4.58 0.10 -2.83 0.00 1.02 0.14 -5.02 120.64 109.48 2h56 n GLU 140 Ca 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2h56 n GLU 140 Cb 0.08 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2h56 n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2h56 n PHE 142 N 0.54 -0.79 0.00 -0.32 7.35 0.15 -5.01 117.46 119.38 2h56 n PHE 142 Ca 0.00 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 2h56 n PHE 142 Cb 0.03 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 38.90 2h56 n PHE 142 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2h56 n PHE 145 N -1.11 0.00 0.00 -5.13 3.72 -1.26 -2.50 117.46 111.18 2h56 n PHE 145 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2h56 n PHE 145 Cb 0.26 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 2h56 n PHE 145 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2h56 n SER 146 N 1.11 1.76 -0.07 4.37 7.64 -1.26 -2.34 113.62 124.83 2h56 n SER 146 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2h56 n SER 146 Cb 0.00 0.04 0.23 0.00 -1.01 0.00 0.00 64.21 63.47 2h56 n SER 146 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2h56 n LEU 147 N -1.77 0.71 -2.19 -3.43 4.32 -1.04 -4.42 117.00 109.17 2h56 n LEU 147 Ca 0.00 -0.13 -0.19 0.00 -0.02 0.00 0.00 56.01 55.68 2h56 n LEU 147 Cb 0.21 -0.19 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 2h56 n LEU 147 CO 0.00 0.16 -0.22 0.61 -1.22 0.00 0.00 177.39 176.71 2h56 n GLY 148 N 1.46 0.09 3.76 -0.72 0.00 -1.26 -4.97 105.19 103.54 2h56 n GLY 148 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2h56 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h56 s ARG 149 N -4.67 4.44 0.00 1.61 1.81 -1.26 -4.95 118.95 115.92 2h56 s ARG 149 Ca 0.00 2.07 0.19 0.00 -1.72 0.00 0.00 55.73 56.27 2h56 s ARG 149 Cb 0.00 -3.14 0.19 0.00 -0.45 0.00 0.00 34.95 31.56 2h56 s ARG 149 CO 0.00 -0.11 1.14 1.28 -0.68 0.00 0.00 175.30 176.93 2h56 n LEU 150 N 1.44 2.70 -2.05 2.53 4.77 -1.26 -4.51 117.00 120.61 2h56 n LEU 150 Ca 0.02 -1.11 -0.26 0.00 -0.03 0.00 0.00 56.01 54.63 2h56 n LEU 150 Cb 0.43 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.58 2h56 n LEU 150 CO 0.57 0.50 1.04 -0.90 -1.33 0.00 0.00 177.39 177.27 2h56 n ASP 151 N 1.09 5.53 -4.26 -1.43 5.75 -1.22 -1.14 116.55 120.88 2h56 n ASP 151 Ca 0.12 -3.75 -0.31 0.00 -0.01 0.00 0.00 54.79 50.84 2h56 n ASP 151 Cb 0.48 -0.77 -0.16 0.00 -1.03 0.00 0.00 41.12 39.64 2h56 n ASP 151 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2h56 s VAL 152 N -4.24 2.00 -0.14 2.12 1.01 -1.26 -4.81 120.40 115.08 2h56 s VAL 152 Ca 0.57 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2h56 s VAL 152 Cb 0.47 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 35.18 2h56 s VAL 152 CO 0.02 0.56 -0.08 -0.22 0.00 0.00 0.00 175.10 175.38 2h56 s LEU 153 N -0.16 1.49 -0.84 3.92 2.96 -1.26 -1.50 118.68 123.29 2h56 s LEU 153 Ca -0.03 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.24 2h56 s LEU 153 Cb -0.14 -0.95 0.22 0.00 0.50 0.00 0.00 46.19 45.82 2h56 s LEU 153 CO 0.03 -0.13 0.79 -0.55 -1.32 0.00 0.00 176.35 175.18 2h56 s SER 154 N 1.62 6.78 0.41 3.68 0.15 -1.26 -4.90 113.70 120.18 2h56 s SER 154 Ca 0.03 -2.69 0.11 0.00 0.70 0.00 0.00 55.95 54.10 2h56 s SER 154 Cb -0.14 -2.22 0.87 0.00 -1.71 0.00 0.00 66.02 62.82 2h56 s SER 154 CO -0.09 -0.59 1.96 0.58 1.20 0.00 0.00 173.24 176.30 2h56 h VAL 155 N 4.79 1.15 -0.07 4.45 2.07 -1.98 -0.93 116.25 125.74 2h56 h VAL 155 Ca 0.11 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2h56 h VAL 155 Cb 1.04 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2h56 h VAL 155 CO 0.77 0.21 0.00 0.61 0.02 0.00 0.00 177.57 179.18 2h56 n GLY 156 N -0.98 -0.59 3.65 2.17 0.00 -1.26 -4.79 105.19 103.39 2h56 n GLY 156 Ca -0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2h56 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h56 s ASP 157 N -1.34 6.95 0.32 1.61 -1.08 -0.36 -4.92 116.67 117.86 2h56 s ASP 157 Ca 0.20 1.35 0.01 0.00 -0.52 0.00 0.00 52.55 53.58 2h56 s ASP 157 Cb 0.10 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.56 2h56 s ASP 157 CO 0.15 -0.81 1.96 0.58 0.52 0.00 0.00 175.17 177.57 2h56 h VAL 158 N 5.61 1.19 -0.19 1.11 2.07 -1.89 -1.61 116.25 122.53 2h56 h VAL 158 Ca -0.22 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2h56 h VAL 158 Cb 1.08 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2h56 h VAL 158 CO 1.00 0.20 0.13 1.23 0.02 0.00 0.00 177.57 180.15 2h56 h GLY 159 N 0.93 0.28 1.50 2.17 0.00 -1.97 -1.72 103.07 104.25 2h56 h GLY 159 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2h56 h GLY 159 CO -0.04 0.10 0.20 1.41 0.00 0.00 0.00 176.54 178.22 2h56 h LEU 160 N 0.26 0.59 -0.18 3.11 3.38 -1.67 0.51 115.31 121.31 2h56 h LEU 160 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2h56 h LEU 160 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2h56 h LEU 160 CO -0.01 0.52 0.06 1.56 0.09 0.00 0.00 178.44 180.65 2h56 h GLN 161 N 0.66 0.27 -0.99 1.13 4.20 -1.02 0.10 115.11 119.45 2h56 h GLN 161 Ca 0.16 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2h56 h GLN 161 Cb 0.10 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 2h56 h GLN 161 CO -0.02 0.38 0.66 0.00 -0.67 0.00 0.00 178.83 179.18 2h56 h ARG 162 N 0.11 1.29 -0.32 1.46 3.08 -0.71 0.20 114.38 119.50 2h56 h ARG 162 Ca 0.06 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2h56 h ARG 162 Cb 0.22 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2h56 h ARG 162 CO -0.00 0.85 0.13 0.78 -1.07 0.00 0.00 179.97 180.66 2h56 h GLY 163 N 1.33 0.41 0.92 0.04 0.00 -0.61 -0.83 103.07 104.33 2h56 h GLY 163 Ca 0.37 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2h56 h GLY 163 CO -0.09 0.05 0.45 0.00 0.00 0.00 0.00 176.54 176.95 2h56 h ALA 164 N 1.19 0.91 -0.84 3.60 0.00 0.14 -1.06 119.26 123.19 2h56 h ALA 164 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2h56 h ALA 164 Cb 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2h56 h ALA 164 CO -0.13 0.25 0.56 0.87 0.00 0.00 0.00 179.25 180.80 2h56 h LYS 165 N 0.90 1.07 -0.07 0.00 1.57 -0.21 -0.80 116.57 119.02 2h56 h LYS 165 Ca 0.27 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 2h56 h LYS 165 Cb -0.03 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.04 2h56 h LYS 165 CO -0.09 0.71 -0.39 2.35 -0.57 0.00 0.00 179.45 181.46 2h56 h TRP 166 N 1.10 0.53 0.04 -1.35 7.01 -0.33 0.53 115.95 123.49 2h56 h TRP 166 Ca 0.32 -0.24 -0.13 0.00 2.11 0.00 0.00 58.89 60.96 2h56 h TRP 166 Cb -0.07 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 26.93 2h56 h TRP 166 CO -0.00 0.99 -0.53 1.25 -2.79 0.00 0.00 178.44 177.37 2h56 h LEU 167 N -0.08 0.39 0.00 0.65 5.85 -1.14 -2.42 115.31 118.55 2h56 h LEU 167 Ca -0.03 -0.84 -0.07 0.00 0.84 0.00 0.00 57.88 57.78 2h56 h LEU 167 Cb 1.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2h56 h LEU 167 CO 0.08 1.19 -1.41 -1.22 -0.34 0.00 0.00 178.44 176.74 2h56 n TYR 168 N -4.30 0.00 -0.25 1.25 4.01 -0.33 -4.73 117.16 112.82 2h56 n TYR 168 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2h56 n TYR 168 Cb 0.66 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2h56 n TYR 168 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2h56 n GLY 169 N 2.35 -0.40 2.11 2.72 0.00 -0.76 -4.97 105.19 106.23 2h56 n GLY 169 Ca -0.07 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 2h56 n GLY 169 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2h56 n ASN 170 N 0.00 4.98 0.00 1.61 5.15 -1.21 -4.75 115.26 121.04 2h56 n ASN 170 Ca 0.00 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.23 2h56 n ASN 170 Cb 0.00 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 2h56 n ASN 170 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2h56 n GLY 171 N -0.68 0.56 0.00 8.20 0.00 0.11 -4.62 105.19 108.76 2h56 n GLY 171 Ca 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2h56 n GLY 171 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h56 n GLU 172 N -2.83 1.37 0.00 1.61 1.02 -1.26 -4.94 120.64 115.61 2h56 n GLU 172 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2h56 n GLU 172 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2h56 n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h56 n GLY 173 N 3.29 -0.48 3.52 0.62 0.00 -1.26 -4.41 105.19 106.47 2h56 n GLY 173 Ca 0.00 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2h56 n GLY 173 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h56 s ASP 174 N -1.54 6.28 0.38 1.61 -1.08 -1.26 -4.95 116.67 116.11 2h56 s ASP 174 Ca 0.00 -0.31 0.11 0.00 -0.52 0.00 0.00 52.55 51.83 2h56 s ASP 174 Cb 0.00 -2.27 0.75 0.00 -1.46 0.00 0.00 42.92 39.93 2h56 s ASP 174 CO 0.00 -0.60 1.86 1.23 0.52 0.00 0.00 175.17 178.18 2h56 h GLY 175 N 9.27 0.13 0.48 2.66 0.00 -1.87 -0.53 103.07 113.21 2h56 h GLY 175 Ca -0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2h56 h GLY 175 CO 0.82 0.09 -0.02 1.70 0.00 0.00 0.00 176.54 179.12 2h56 h LYS 176 N 0.11 -0.05 -0.50 4.80 3.64 -1.87 -1.61 116.57 121.09 2h56 h LYS 176 Ca 0.02 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2h56 h LYS 176 Cb 0.53 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2h56 h LYS 176 CO 0.04 0.44 0.17 0.87 -2.27 0.00 0.00 179.45 178.70 2h56 h LYS 177 N -0.58 0.73 -0.66 1.90 1.57 -1.91 -1.68 116.57 115.94 2h56 h LYS 177 Ca -0.01 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2h56 h LYS 177 Cb 0.52 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 2h56 h LYS 177 CO 0.01 0.63 0.17 -0.07 -0.57 0.00 0.00 179.45 179.61 2h56 h LEU 178 N 0.72 0.99 0.14 2.94 3.38 -1.08 -1.21 115.31 121.19 2h56 h LEU 178 Ca 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2h56 h LEU 178 Cb 0.20 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2h56 h LEU 178 CO -0.01 0.96 -0.07 -0.07 0.09 0.00 0.00 178.44 179.34 2h56 h LEU 179 N 0.97 -0.16 -0.81 1.67 3.38 -0.75 0.25 115.31 119.85 2h56 h LEU 179 Ca 0.21 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2h56 h LEU 179 Cb 0.35 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2h56 h LEU 179 CO 0.00 -0.05 0.48 0.40 0.09 0.00 0.00 178.44 179.36 2h56 h ILE 180 N -0.26 0.98 0.36 1.22 2.04 -1.23 0.21 117.51 120.84 2h56 h ILE 180 Ca -0.02 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2h56 h ILE 180 Cb 0.20 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2h56 h ILE 180 CO 0.03 0.16 -0.17 0.22 0.00 0.00 0.00 178.15 178.38 2h56 h TYR 181 N 0.85 -0.45 0.00 1.37 3.20 -1.05 -3.34 116.97 117.56 2h56 h TYR 181 Ca 0.37 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 2h56 h TYR 181 Cb 0.24 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2h56 h TYR 181 CO -0.05 -0.21 -0.25 0.45 -1.64 0.00 0.00 178.16 176.45 2h56 h HIS 182 N -1.09 0.00 0.00 -3.82 3.86 -0.91 -2.43 115.15 110.77 2h56 h HIS 182 Ca -0.05 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2h56 h HIS 182 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 2h56 h HIS 182 CO 0.02 0.25 -0.02 0.78 0.86 0.00 0.00 177.93 179.82 2h56 h GLY 183 N 1.07 0.00 1.86 2.45 0.00 -0.69 -1.57 103.07 106.18 2h56 h GLY 183 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2h56 h GLY 183 CO 0.03 0.00 0.07 0.50 0.00 0.00 0.00 176.54 177.15 2h56 h LYS 184 N 0.00 0.10 0.00 4.80 1.57 -1.55 -2.16 116.57 119.33 2h56 h LYS 184 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2h56 h LYS 184 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2h56 h LYS 184 CO 0.00 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 2h56 n ALA 185 N -2.53 2.05 0.89 3.86 0.00 -0.59 -3.72 120.51 120.47 2h56 n ALA 185 Ca -0.01 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.45 2h56 n ALA 185 Cb 0.12 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.25 2h56 n ALA 185 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2h56 n TRP 186 N -1.45 0.00 -1.66 0.00 8.01 -0.81 -4.75 117.44 116.78 2h56 n TRP 186 Ca 0.07 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.82 2h56 n TRP 186 Cb 0.24 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.52 2h56 n TRP 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2h56 n ALA 187 N 0.65 0.85 -1.09 6.99 0.00 -1.24 -0.35 120.51 126.32 2h56 n ALA 187 Ca 0.11 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.72 2h56 n ALA 187 Cb 0.48 -2.20 0.18 0.00 0.00 0.00 0.00 19.45 17.91 2h56 n ALA 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2h56 n PRO 188 N 1.00 2.28 -2.14 0.00 -0.04 -1.26 -4.90 135.00 129.94 2h56 n PRO 188 Ca 0.08 -2.84 -0.25 0.00 -0.04 0.00 0.00 63.50 60.44 2h56 n PRO 188 Cb 0.34 -2.12 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 2h56 n PRO 188 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2h56 n TYR 189 N -0.99 2.96 -0.23 0.54 4.01 0.52 -3.37 117.16 120.60 2h56 n TYR 189 Ca 0.55 -2.51 -0.03 0.00 -0.16 0.00 0.00 57.90 55.75 2h56 n TYR 189 Cb 1.59 -0.30 0.08 0.00 -0.31 0.00 0.00 39.34 40.40 2h56 n TYR 189 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2h56 h GLU 190 N 2.30 0.76 -0.99 -0.72 3.07 -1.15 -0.48 114.58 117.37 2h56 h GLU 190 Ca 0.36 -0.05 0.23 0.00 -0.50 0.00 0.00 59.36 59.41 2h56 h GLU 190 Cb 1.32 -0.17 -0.12 0.00 -0.84 0.00 0.00 28.75 28.94 2h56 h GLU 190 CO 0.82 0.51 0.58 1.15 -1.40 0.00 0.00 179.01 180.66 2h56 h THR 191 N 0.79 0.56 -0.44 1.13 2.02 -0.01 0.44 112.91 117.40 2h56 h THR 191 Ca 0.27 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 2h56 h THR 191 Cb 0.06 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 2h56 h THR 191 CO -0.12 0.11 -0.15 0.58 0.37 0.00 0.00 175.52 176.30 2h56 h VAL 192 N 0.59 1.26 -0.21 3.16 2.07 -1.25 -0.64 116.25 121.25 2h56 h VAL 192 Ca 0.63 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 2h56 h VAL 192 Cb 1.15 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2h56 h VAL 192 CO -0.47 0.43 -0.41 0.00 0.02 0.00 0.00 177.57 177.14 2h56 h ALA 193 N 1.09 0.90 -0.39 1.67 0.00 -1.02 -2.91 119.26 118.60 2h56 h ALA 193 Ca 0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2h56 h ALA 193 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2h56 h ALA 193 CO 0.05 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.98 2h56 h LEU 195 N 0.58 0.26 -0.70 0.00 3.38 -0.95 -1.38 115.31 116.50 2h56 h LEU 195 Ca 0.13 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2h56 h LEU 195 Cb 0.30 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2h56 h LEU 195 CO 0.01 0.19 0.10 1.88 0.09 0.00 0.00 178.44 180.71 2h56 h TYR 196 N 0.37 1.18 -0.79 1.13 0.05 -1.16 -1.90 116.97 115.84 2h56 h TYR 196 Ca 0.16 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2h56 h TYR 196 Cb 0.07 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 2h56 h TYR 196 CO -0.10 0.98 0.52 -0.07 -1.05 0.00 0.00 178.16 178.44 2h56 h LEU 197 N 1.03 0.88 -0.65 3.88 3.38 -0.69 -0.23 115.31 122.92 2h56 h LEU 197 Ca 0.20 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2h56 h LEU 197 Cb 0.45 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2h56 h LEU 197 CO 0.01 0.63 0.22 -0.50 0.09 0.00 0.00 178.44 178.89 2h56 h TRP 198 N 1.04 1.03 -0.96 1.13 6.55 -0.96 0.20 115.95 123.98 2h56 h TRP 198 Ca 0.30 -0.10 0.13 0.00 0.95 0.00 0.00 58.89 60.17 2h56 h TRP 198 Cb -0.09 -0.30 -0.08 0.00 -0.86 0.00 0.00 29.16 27.83 2h56 h TRP 198 CO -0.02 0.83 0.61 -0.22 -1.05 0.00 0.00 178.44 178.58 2h56 h LYS 199 N 0.93 0.85 -0.34 0.49 3.64 -0.69 -2.28 116.57 119.17 2h56 h LYS 199 Ca 0.21 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2h56 h LYS 199 Cb 0.27 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2h56 h LYS 199 CO -0.01 0.56 -0.08 0.00 -2.27 0.00 0.00 179.45 177.65 2h56 h ALA 200 N 1.57 0.47 0.00 5.00 0.00 0.34 -2.88 119.26 123.75 2h56 h ALA 200 Ca 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2h56 h ALA 200 Cb 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2h56 h ALA 200 CO -0.24 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 2h56 h ALA 201 N 0.81 1.48 -2.09 0.00 0.00 -0.46 -0.49 119.26 118.51 2h56 h ALA 201 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2h56 h ALA 201 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2h56 h ALA 201 CO 0.03 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2h56 n GLY 202 N -1.18 -0.24 0.10 0.00 0.00 -0.97 -4.45 105.19 98.46 2h56 n GLY 202 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2h56 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h56 h THR 203 N 0.00 1.19 0.04 2.61 1.03 -1.71 -3.03 112.91 113.04 2h56 h THR 203 Ca 0.00 -0.58 -0.27 0.00 -0.01 0.00 0.00 66.41 65.55 2h56 h THR 203 Cb 0.00 1.30 -0.03 0.00 -1.07 0.00 0.00 68.15 68.35 2h56 h THR 203 CO 0.00 0.18 -1.43 -0.26 -0.01 0.00 0.00 175.52 174.00 2h56 h PHE 204 N 0.05 0.16 -0.19 0.00 -1.00 -1.65 -3.29 116.94 111.02 2h56 h PHE 204 Ca 0.05 -0.11 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 2h56 h PHE 204 Cb 0.24 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2h56 h PHE 204 CO 0.00 1.14 -0.26 0.00 -1.61 0.00 0.00 178.31 177.58 2h56 h ALA 205 N 0.82 1.21 0.00 2.45 0.00 -1.18 0.05 119.26 122.61 2h56 h ALA 205 Ca -0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2h56 h ALA 205 Cb 1.93 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2h56 h ALA 205 CO 0.12 0.51 -0.15 0.93 0.00 0.00 0.00 179.25 180.67 2h56 h GLU 206 N 0.31 0.00 0.00 0.00 3.07 -1.59 -3.33 114.58 113.04 2h56 h GLU 206 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2h56 h GLU 206 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2h56 h GLU 206 CO 0.04 0.15 -1.05 0.39 -1.40 0.00 0.00 179.01 177.15 2h56 n GLU 207 N -3.89 1.51 -3.81 2.33 1.02 -0.94 -5.01 120.64 111.86 2h56 n GLU 207 Ca -0.02 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 2h56 n GLU 207 Cb 0.24 -1.08 -0.13 0.00 -0.02 0.00 0.00 31.44 30.45 2h56 n GLU 207 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2h56 s TYR 208 N -2.27 -0.14 0.22 -0.32 1.51 -0.04 -5.04 117.35 111.28 2h56 s TYR 208 Ca -0.01 0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 56.33 2h56 s TYR 208 Cb 0.05 0.01 0.35 0.00 -0.11 0.00 0.00 41.96 42.26 2h56 s TYR 208 CO 0.31 -0.09 1.71 0.07 -1.11 0.00 0.00 175.55 176.44 2h56 h ARG 209 N 6.28 0.30 -2.89 -0.62 -0.00 -1.83 -3.38 114.38 112.24 2h56 h ARG 209 Ca -0.29 -0.02 0.01 0.00 -0.00 0.00 0.00 59.98 59.68 2h56 h ARG 209 Cb 1.19 -0.07 -0.12 0.00 -0.00 0.00 0.00 29.97 30.97 2h56 h ARG 209 CO 0.43 0.20 0.25 -1.54 -0.00 0.00 0.00 179.97 179.32 2h56 s SER 210 N -5.31 -0.50 0.31 0.08 1.04 -1.26 -4.35 113.70 103.70 2h56 s SER 210 Ca -0.13 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.28 2h56 s SER 210 Cb 0.19 0.59 0.84 0.00 0.10 0.00 0.00 66.02 67.73 2h56 s SER 210 CO 0.75 -0.97 1.51 -0.11 0.98 0.00 0.00 173.24 175.40 2h56 n LEU 211 N -0.37 -0.03 -0.38 2.42 7.94 -0.91 -0.10 117.00 125.57 2h56 n LEU 211 Ca -0.14 1.63 -0.02 0.00 -1.11 0.00 0.00 56.01 56.37 2h56 n LEU 211 Cb 0.64 -0.63 0.11 0.00 0.53 0.00 0.00 43.42 44.07 2h56 n LEU 211 CO 0.12 -1.68 1.30 -0.33 -1.11 0.00 0.00 177.39 175.69 2h56 h GLU 212 N 0.00 1.31 -0.53 1.96 3.07 -1.89 0.64 114.58 119.14 2h56 h GLU 212 Ca 0.63 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 59.29 2h56 h GLU 212 Cb 1.38 -0.30 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 2h56 h GLU 212 CO -0.88 0.87 -0.12 0.93 -1.40 0.00 0.00 179.01 178.42 2h56 h GLU 213 N 1.35 1.01 -0.71 2.33 3.07 -0.91 -2.74 114.58 117.99 2h56 h GLU 213 Ca 0.37 -0.38 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2h56 h GLU 213 Cb -0.14 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.68 2h56 h GLU 213 CO -0.09 1.07 0.47 1.25 -1.40 0.00 0.00 179.01 180.31 2h56 h LEU 214 N 0.89 0.81 -1.78 1.33 5.85 -0.43 -1.80 115.31 120.17 2h56 h LEU 214 Ca 0.14 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2h56 h LEU 214 Cb 0.69 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2h56 h LEU 214 CO 0.05 0.58 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.51 2h56 h LEU 215 N 0.95 0.00 0.00 2.25 3.38 -0.86 -1.81 115.31 119.22 2h56 h LEU 215 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2h56 h LEU 215 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2h56 h LEU 215 CO -0.06 0.15 0.00 1.41 0.09 0.00 0.00 178.44 180.02 2h56 n HIS 216 N -3.69 0.00 0.00 1.13 8.25 -0.68 -5.11 115.22 115.12 2h56 n HIS 216 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2h56 n HIS 216 Cb 0.27 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.04 2h56 n HIS 216 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56