#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrs s PRO 3 N 0.00 3.30 0.71 -2.82 0.02 -1.26 -4.99 135.00 129.95 3hrs s PRO 3 Ca 0.00 1.74 -0.04 0.00 0.02 0.00 0.00 61.00 62.72 3hrs s PRO 3 Cb 0.00 -4.26 0.09 0.00 0.02 0.00 0.00 34.50 30.35 3hrs s PRO 3 CO 0.00 -1.91 0.99 0.54 -0.33 0.00 0.00 177.00 176.30 3hrs s ASN 4 N 6.89 4.57 0.60 2.53 2.20 -1.26 -4.95 114.94 125.52 3hrs s ASN 4 Ca 0.89 0.08 0.34 0.00 -0.94 0.00 0.00 52.86 53.23 3hrs s ASN 4 Cb -0.28 -0.63 1.90 0.00 -2.00 0.00 0.00 41.25 40.24 3hrs s ASN 4 CO 0.34 -1.71 2.23 0.07 -2.94 0.00 0.00 177.10 175.09 3hrs h LYS 5 N -0.56 0.00 -0.13 3.55 2.10 -1.99 -0.43 116.57 119.11 3hrs h LYS 5 Ca -0.41 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.12 3hrs h LYS 5 Cb 1.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.61 3hrs h LYS 5 CO 0.50 0.03 -0.44 0.93 -2.00 0.00 0.00 179.45 178.46 3hrs h GLU 6 N 0.00 0.31 0.00 0.07 5.08 -1.99 -1.51 114.58 116.53 3hrs h GLU 6 Ca -0.00 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 3hrs h GLU 6 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hrs h GLU 6 CO 0.00 0.70 -0.45 -0.44 -1.00 0.00 0.00 179.01 177.82 3hrs h ASP 7 N 0.25 0.00 -0.02 1.42 3.45 -1.44 -2.01 116.42 118.07 3hrs h ASP 7 Ca 0.02 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 3hrs h ASP 7 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 3hrs h ASP 7 CO 0.07 0.45 -0.24 1.88 -1.57 0.00 0.00 179.24 179.84 3hrs h TYR 8 N 0.00 0.27 -0.86 4.55 -1.99 -1.30 -2.92 116.97 114.73 3hrs h TYR 8 Ca -0.00 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.59 3hrs h TYR 8 Cb 1.05 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.70 3hrs h TYR 8 CO 0.00 0.90 0.53 -0.07 -0.00 0.00 0.00 178.16 179.52 3hrs h LEU 9 N -0.43 1.02 0.67 3.88 3.38 -1.18 0.14 115.31 122.80 3hrs h LEU 9 Ca -0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hrs h LEU 9 Cb 0.95 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hrs h LEU 9 CO 0.05 0.78 -0.40 0.50 0.09 0.00 0.00 178.44 179.45 3hrs h LYS 10 N 1.18 -0.98 -0.03 1.13 3.11 -1.45 0.80 116.57 120.34 3hrs h LYS 10 Ca 0.31 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 3hrs h LYS 10 Cb -0.07 0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 3hrs h LYS 10 CO -0.06 -0.65 -0.03 0.00 -2.81 0.00 0.00 179.45 175.90 3hrs h LEU 12 N -0.02 0.31 0.30 0.00 3.38 -0.76 0.65 115.31 119.18 3hrs h LEU 12 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hrs h LEU 12 Cb 0.03 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hrs h LEU 12 CO -0.03 -0.09 -0.14 0.22 0.09 0.00 0.00 178.44 178.48 3hrs h TYR 13 N 0.19 -0.37 0.00 1.13 5.03 0.12 -2.78 116.97 120.29 3hrs h TYR 13 Ca 0.74 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.98 3hrs h TYR 13 Cb 2.18 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 40.57 3hrs h TYR 13 CO -0.00 -0.04 -0.27 1.05 -1.32 0.00 0.00 178.16 177.57 3hrs h GLU 14 N -0.74 0.00 0.00 1.82 4.11 0.15 -2.59 114.58 117.34 3hrs h GLU 14 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3hrs h GLU 14 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hrs h GLU 14 CO 0.07 0.27 0.00 -0.11 0.07 0.00 0.00 179.01 179.31 3hrs n LEU 15 N -3.67 0.00 0.00 3.06 7.94 0.22 -2.12 117.00 122.43 3hrs n LEU 15 Ca -0.01 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 3hrs n LEU 15 Cb 0.39 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.14 3hrs n LEU 15 CO 0.34 -0.11 0.32 0.61 -1.11 0.00 0.00 177.39 177.45 3hrs n GLY 16 N -0.11 0.22 0.11 -3.96 0.00 -0.98 -4.31 105.19 96.16 3hrs n GLY 16 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3hrs n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hrs n THR 17 N -0.18 0.62 -3.01 2.61 -2.24 -0.90 -3.41 114.28 107.77 3hrs n THR 17 Ca 0.00 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 3hrs n THR 17 Cb 0.14 -0.71 -0.00 0.00 -2.10 0.00 0.00 70.33 67.65 3hrs n THR 17 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hrs n ARG 18 N -2.22 4.29 -0.99 -0.78 1.74 -1.25 -4.99 116.66 112.45 3hrs n ARG 18 Ca 0.05 -4.61 0.00 0.00 -0.77 0.00 0.00 57.85 52.52 3hrs n ARG 18 Cb 0.38 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 3hrs n ARG 18 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hrs n HIS 19 N 0.98 0.00 -4.02 -1.55 8.25 -1.22 -4.77 115.22 112.89 3hrs n HIS 19 Ca 0.30 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.63 3hrs n HIS 19 Cb 0.33 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 3hrs n HIS 19 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hrs n ASN 20 N 3.47 2.22 -3.44 0.41 5.15 -1.26 -5.08 115.26 116.73 3hrs n ASN 20 Ca 0.00 -1.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.06 3hrs n ASN 20 Cb 0.24 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 3hrs n ASN 20 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hrs n LYS 21 N -0.81 -0.23 -3.32 1.20 5.02 -1.25 -4.65 118.16 114.13 3hrs n LYS 21 Ca -0.05 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.12 3hrs n LYS 21 Cb 0.28 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.23 3hrs n LYS 21 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hrs s ILE 22 N -0.44 -0.52 0.95 -0.18 1.01 -1.21 -4.87 121.20 115.94 3hrs s ILE 22 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 3hrs s ILE 22 Cb 0.00 -0.65 0.16 0.00 0.01 0.00 0.00 42.46 41.99 3hrs s ILE 22 CO 0.00 -0.41 1.09 0.42 0.00 0.00 0.00 174.94 176.04 3hrs s THR 23 N 1.80 2.43 -0.04 2.92 -4.23 -1.26 -4.77 115.64 112.49 3hrs s THR 23 Ca 0.15 0.14 0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3hrs s THR 23 Cb -0.13 -2.54 -0.10 0.00 1.34 0.00 0.00 72.50 71.07 3hrs s THR 23 CO -0.12 -0.18 1.19 0.78 -0.54 0.00 0.00 174.62 175.75 3hrs h ASN 24 N -1.78 0.00 -0.42 3.99 4.21 -2.01 -3.01 115.58 116.57 3hrs h ASN 24 Ca -0.51 0.00 0.08 0.00 1.21 0.00 0.00 56.30 57.08 3hrs h ASN 24 Cb 1.30 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.42 3hrs h ASN 24 CO 0.54 0.75 -0.12 0.50 -1.29 0.00 0.00 177.43 177.81 3hrs h LYS 25 N 0.00 -0.03 -0.44 0.81 3.64 -1.98 0.95 116.57 119.52 3hrs h LYS 25 Ca -0.07 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3hrs h LYS 25 Cb 1.63 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 3hrs h LYS 25 CO 0.09 -0.02 0.13 0.93 -2.27 0.00 0.00 179.45 178.31 3hrs h GLU 26 N -0.03 0.69 -0.79 1.90 5.08 -1.94 0.40 114.58 119.89 3hrs h GLU 26 Ca 0.20 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hrs h GLU 26 Cb 0.33 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3hrs h GLU 26 CO -0.44 0.68 0.49 0.82 -1.00 0.00 0.00 179.01 179.56 3hrs h ILE 27 N 0.58 1.22 -0.42 3.13 2.04 -1.27 0.21 117.51 123.00 3hrs h ILE 27 Ca 0.14 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3hrs h ILE 27 Cb 0.28 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3hrs h ILE 27 CO -0.00 0.22 -0.02 0.00 0.00 0.00 0.00 178.15 178.35 3hrs h ALA 28 N 1.27 1.19 0.30 1.87 0.00 0.16 -1.85 119.26 122.20 3hrs h ALA 28 Ca 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hrs h ALA 28 Cb -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hrs h ALA 28 CO -0.06 0.53 -0.14 1.96 0.00 0.00 0.00 179.25 181.54 3hrs h GLN 29 N 0.64 -0.39 -0.41 0.00 4.20 0.60 -0.72 115.11 119.05 3hrs h GLN 29 Ca 0.13 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3hrs h GLN 29 Cb 0.43 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3hrs h GLN 29 CO 0.02 -0.06 0.04 -0.07 -0.67 0.00 0.00 178.83 178.09 3hrs h LEU 30 N -0.75 0.59 0.00 1.46 4.07 -0.58 -2.86 115.31 117.23 3hrs h LEU 30 Ca -0.04 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3hrs h LEU 30 Cb 0.50 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3hrs h LEU 30 CO 0.07 0.63 -0.75 0.23 -1.08 0.00 0.00 178.44 177.54 3hrs n MET 31 N -4.28 0.28 -3.49 1.13 2.81 -0.70 -4.98 117.12 107.89 3hrs n MET 31 Ca 0.02 0.06 -0.24 0.00 -1.81 0.00 0.00 57.70 55.72 3hrs n MET 31 Cb 0.24 -1.65 0.06 0.00 -0.71 0.00 0.00 33.22 31.15 3hrs n MET 31 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3hrs n GLN 32 N -2.05 -1.65 -4.32 0.03 -0.06 -0.31 -5.03 117.38 103.99 3hrs n GLN 32 Ca 0.03 0.63 -0.16 0.00 -2.00 0.00 0.00 57.00 55.50 3hrs n GLN 32 Cb 0.44 -4.86 -0.10 0.00 -4.06 0.00 0.00 30.24 21.65 3hrs n GLN 32 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 3hrs s VAL 33 N -3.43 0.56 0.01 1.69 -7.23 -0.97 -5.06 120.40 105.96 3hrs s VAL 33 Ca 0.47 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 3hrs s VAL 33 Cb -0.12 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 3hrs s VAL 33 CO 0.81 0.00 1.26 -0.55 -0.31 0.00 0.00 175.10 176.31 3hrs s SER 34 N -3.31 6.99 0.35 4.85 0.15 -1.26 -4.81 113.70 116.67 3hrs s SER 34 Ca 0.38 1.99 0.12 0.00 0.70 0.00 0.00 55.95 59.14 3hrs s SER 34 Cb 0.08 -2.57 0.94 0.00 -1.71 0.00 0.00 66.02 62.76 3hrs s SER 34 CO 0.14 -0.59 1.78 -0.65 1.20 0.00 0.00 173.24 175.12 3hrs h PRO 35 N 7.31 0.54 0.00 5.44 0.11 -1.95 1.38 132.00 144.82 3hrs h PRO 35 Ca -0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3hrs h PRO 35 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hrs h PRO 35 CO 0.86 0.36 -0.04 -1.35 -0.21 0.00 0.00 178.00 177.62 3hrs h PRO 36 N 0.56 0.00 -0.11 1.05 0.11 -1.99 -0.63 132.00 130.99 3hrs h PRO 36 Ca 0.58 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.57 3hrs h PRO 36 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hrs h PRO 36 CO -0.34 0.04 -0.41 0.00 -0.21 0.00 0.00 178.00 177.08 3hrs h ALA 37 N 1.96 0.19 0.29 -0.75 0.00 0.15 -2.31 119.26 118.79 3hrs h ALA 37 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hrs h ALA 37 Cb 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hrs h ALA 37 CO 0.01 0.31 -0.50 0.28 0.00 0.00 0.00 179.25 179.34 3hrs h VAL 38 N 0.04 0.00 -0.97 0.00 2.07 -0.97 0.06 116.25 116.48 3hrs h VAL 38 Ca -0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.75 3hrs h VAL 38 Cb 1.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3hrs h VAL 38 CO 0.09 0.00 0.66 0.74 0.02 0.00 0.00 177.57 179.08 3hrs h THR 39 N -0.85 0.57 0.01 2.57 2.02 -1.19 0.34 112.91 116.39 3hrs h THR 39 Ca -0.03 -0.08 -0.21 0.00 0.77 0.00 0.00 66.41 66.86 3hrs h THR 39 Cb 0.79 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3hrs h THR 39 CO -0.18 0.04 -0.91 -0.33 0.37 0.00 0.00 175.52 174.52 3hrs h GLU 40 N 0.24 0.26 0.01 6.66 4.39 -0.88 -2.93 114.58 122.32 3hrs h GLU 40 Ca 0.50 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 3hrs h GLU 40 Cb 1.54 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 3hrs h GLU 40 CO -0.14 1.00 -0.12 1.98 -1.16 0.00 0.00 179.01 180.57 3hrs h MET 41 N 0.14 0.07 -0.58 2.33 4.05 0.16 -3.01 114.93 118.09 3hrs h MET 41 Ca -0.06 -0.08 0.09 0.00 -0.28 0.00 0.00 59.70 59.37 3hrs h MET 41 Cb 1.54 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 32.29 3hrs h MET 41 CO 0.14 0.90 0.18 0.52 0.23 0.00 0.00 176.91 178.88 3hrs h MET 42 N -0.72 0.33 -0.64 0.39 2.86 -1.19 0.35 114.93 116.31 3hrs h MET 42 Ca -0.02 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.73 3hrs h MET 42 Cb 0.94 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.41 3hrs h MET 42 CO 0.02 0.22 -0.17 0.87 1.06 0.00 0.00 176.91 178.92 3hrs h LYS 43 N 0.34 -0.01 -0.01 1.72 1.57 -1.55 1.45 116.57 120.09 3hrs h LYS 43 Ca 0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hrs h LYS 43 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3hrs h LYS 43 CO -0.32 -0.01 0.00 -0.22 -0.57 0.00 0.00 179.45 178.33 3hrs h LYS 44 N -0.01 0.01 -0.64 3.15 3.64 -1.03 0.90 116.57 122.60 3hrs h LYS 44 Ca 0.31 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 3hrs h LYS 44 Cb 0.47 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 3hrs h LYS 44 CO -0.66 0.22 0.32 -0.07 -2.27 0.00 0.00 179.45 176.98 3hrs h LEU 45 N -0.20 0.42 -0.01 5.20 4.07 0.58 0.19 115.31 125.55 3hrs h LEU 45 Ca 0.00 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.02 3hrs h LEU 45 Cb 0.21 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3hrs h LEU 45 CO -0.00 0.26 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.53 3hrs h LEU 46 N 0.57 -0.07 -1.58 1.67 -0.00 0.22 -2.63 115.31 113.48 3hrs h LEU 46 Ca 0.30 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 3hrs h LEU 46 Cb 0.27 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 3hrs h LEU 46 CO -0.23 -0.04 0.10 0.00 -0.00 0.00 0.00 178.44 178.27 3hrs h ALA 47 N 0.97 1.68 -0.08 1.53 0.00 0.16 0.14 119.26 123.66 3hrs h ALA 47 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hrs h ALA 47 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hrs h ALA 47 CO -0.04 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.86 3hrs n GLU 48 N -4.42 1.23 -2.57 0.00 1.02 0.58 -4.88 120.64 111.60 3hrs n GLU 48 Ca 0.01 -0.36 -0.17 0.00 -0.02 0.00 0.00 57.16 56.62 3hrs n GLU 48 Cb 0.13 -1.22 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3hrs n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hrs n GLU 49 N -0.33 -2.44 0.09 3.49 1.02 0.50 -4.86 120.64 118.11 3hrs n GLU 49 Ca 0.10 0.76 -0.16 0.00 -0.02 0.00 0.00 57.16 57.85 3hrs n GLU 49 Cb 0.12 -5.43 -0.09 0.00 -0.02 0.00 0.00 31.44 26.02 3hrs n GLU 49 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hrs h LEU 50 N -0.23 0.54 -8.36 -4.62 4.07 -1.68 -3.40 115.31 101.63 3hrs h LEU 50 Ca -0.40 -0.50 -0.16 0.00 0.08 0.00 0.00 57.88 56.90 3hrs h LEU 50 Cb 1.29 -0.17 -0.15 0.00 1.08 0.00 0.00 40.66 42.71 3hrs h LEU 50 CO 0.47 1.33 -0.65 -1.48 -1.08 0.00 0.00 178.44 177.03 3hrs s LEU 51 N -7.51 1.98 0.16 1.67 0.05 -1.23 -1.11 118.68 112.69 3hrs s LEU 51 Ca -0.06 -1.14 0.09 0.00 0.05 0.00 0.00 54.13 53.08 3hrs s LEU 51 Cb 0.08 0.28 -0.04 0.00 -2.05 0.00 0.00 46.19 44.46 3hrs s LEU 51 CO 0.88 -0.69 -0.20 0.27 -0.55 0.00 0.00 176.35 176.07 3hrs s ILE 52 N -4.01 1.89 0.57 1.48 -4.36 -0.46 -4.43 121.20 111.88 3hrs s ILE 52 Ca 0.19 -1.88 -0.20 0.00 -0.26 0.00 0.00 60.65 58.50 3hrs s ILE 52 Cb 0.08 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 3hrs s ILE 52 CO -0.02 -0.25 1.21 -0.54 0.24 0.00 0.00 174.94 175.58 3hrs s LYS 53 N -2.65 3.11 -0.06 0.37 1.02 -1.26 -1.44 119.74 118.83 3hrs s LYS 53 Ca 0.15 1.84 -0.16 0.00 0.02 0.00 0.00 55.97 57.82 3hrs s LYS 53 Cb -0.07 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.26 3hrs s LYS 53 CO 0.07 -1.10 0.38 0.34 -0.92 0.00 0.00 175.35 174.11 3hrs s ASP 54 N -1.52 -0.31 0.02 2.83 -1.08 -0.20 -4.75 116.67 111.66 3hrs s ASP 54 Ca 0.75 0.35 -0.16 0.00 -0.52 0.00 0.00 52.55 52.98 3hrs s ASP 54 Cb -0.31 0.48 -0.09 0.00 -1.46 0.00 0.00 42.92 41.54 3hrs s ASP 54 CO 0.34 -0.38 1.18 0.07 0.52 0.00 0.00 175.17 176.89 3hrs h LYS 55 N 4.22 -0.56 -0.33 4.34 2.10 -1.97 0.49 116.57 124.87 3hrs h LYS 55 Ca -0.29 0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.30 3hrs h LYS 55 Cb 1.17 0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.62 3hrs h LYS 55 CO 0.36 -0.37 -0.20 0.87 -2.00 0.00 0.00 179.45 178.11 3hrs h LYS 56 N -0.61 0.62 0.00 0.07 1.79 -1.98 -3.26 116.57 113.20 3hrs h LYS 56 Ca -0.06 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3hrs h LYS 56 Cb 0.44 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3hrs h LYS 56 CO 0.10 0.79 -1.07 0.00 -1.08 0.00 0.00 179.45 178.18 3hrs n ALA 57 N -2.49 4.05 0.00 3.86 0.00 -1.25 -3.78 120.51 120.90 3hrs n ALA 57 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3hrs n ALA 57 Cb 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3hrs n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrs n GLY 58 N 1.43 2.03 3.11 0.00 0.00 0.16 -3.29 105.19 108.64 3hrs n GLY 58 Ca 0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 3hrs n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hrs s TYR 59 N 0.00 0.97 0.06 1.61 1.51 -1.26 -1.03 117.35 119.21 3hrs s TYR 59 Ca 0.00 -0.41 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 3hrs s TYR 59 Cb 0.00 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 3hrs s TYR 59 CO 0.00 -0.00 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.70 3hrs s LEU 60 N -1.35 2.37 0.19 -1.29 1.02 -0.52 -4.86 118.68 114.24 3hrs s LEU 60 Ca -0.03 -0.56 -0.18 0.00 0.02 0.00 0.00 54.13 53.38 3hrs s LEU 60 Cb -0.09 -1.37 -0.08 0.00 0.02 0.00 0.00 46.19 44.68 3hrs s LEU 60 CO 0.01 0.24 0.66 -0.76 0.02 0.00 0.00 176.35 176.52 3hrs s LEU 61 N -1.48 4.35 0.64 1.79 1.02 -1.26 -1.35 118.68 122.39 3hrs s LEU 61 Ca 0.13 1.29 -0.06 0.00 0.02 0.00 0.00 54.13 55.52 3hrs s LEU 61 Cb -0.10 -3.44 0.03 0.00 0.02 0.00 0.00 46.19 42.71 3hrs s LEU 61 CO 0.04 0.07 0.95 0.42 0.02 0.00 0.00 176.35 177.86 3hrs s THR 62 N -1.48 2.98 0.21 5.49 -4.23 -0.26 -4.84 115.64 113.52 3hrs s THR 62 Ca 0.40 -0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.69 3hrs s THR 62 Cb -0.16 -3.23 0.16 0.00 1.34 0.00 0.00 72.50 70.60 3hrs s THR 62 CO 0.20 -0.24 1.74 -0.78 -0.54 0.00 0.00 174.62 175.00 3hrs h ASP 63 N -0.37 0.19 -0.93 3.99 1.82 -1.89 -0.43 116.42 118.80 3hrs h ASP 63 Ca -0.45 0.09 0.07 0.00 -0.39 0.00 0.00 57.03 56.34 3hrs h ASP 63 Cb 1.29 0.08 -0.06 0.00 0.68 0.00 0.00 39.33 41.31 3hrs h ASP 63 CO 0.60 0.11 0.59 0.25 -1.61 0.00 0.00 179.24 179.18 3hrs h LEU 64 N 0.38 0.94 0.48 2.28 5.85 -1.89 0.29 115.31 123.64 3hrs h LEU 64 Ca 0.32 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 3hrs h LEU 64 Cb 0.42 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hrs h LEU 64 CO -0.33 0.60 -0.49 1.23 -0.34 0.00 0.00 178.44 179.10 3hrs h GLY 65 N 1.07 -1.25 0.16 3.75 0.00 -1.20 -1.85 103.07 103.75 3hrs h GLY 65 Ca 0.41 0.59 0.15 0.00 0.00 0.00 0.00 47.33 48.48 3hrs h GLY 65 CO -0.18 -0.37 0.41 1.41 0.00 0.00 0.00 176.54 177.82 3hrs h LEU 66 N -0.97 0.47 -1.54 3.11 4.07 -1.01 0.35 115.31 119.80 3hrs h LEU 66 Ca -0.06 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 3hrs h LEU 66 Cb 0.85 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 3hrs h LEU 66 CO -0.07 0.18 0.15 0.11 -1.08 0.00 0.00 178.44 177.73 3hrs h LYS 67 N 0.57 0.46 -0.04 1.13 1.57 -0.70 -0.18 116.57 119.37 3hrs h LYS 67 Ca 0.47 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.15 3hrs h LYS 67 Cb 0.70 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3hrs h LYS 67 CO -0.39 0.37 -0.16 1.25 -0.57 0.00 0.00 179.45 179.95 3hrs h LEU 68 N 0.46 0.22 -0.68 2.94 6.46 -0.20 -2.69 115.31 121.82 3hrs h LEU 68 Ca 0.12 -0.64 0.13 0.00 -0.12 0.00 0.00 57.88 57.37 3hrs h LEU 68 Cb 0.06 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 3hrs h LEU 68 CO -0.02 0.82 0.19 0.58 -0.62 0.00 0.00 178.44 179.39 3hrs h VAL 69 N -0.37 0.61 0.06 1.05 2.07 -0.59 -1.40 116.25 117.68 3hrs h VAL 69 Ca -0.01 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3hrs h VAL 69 Cb 0.81 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3hrs h VAL 69 CO 0.03 0.06 -0.26 -1.28 0.02 0.00 0.00 177.57 176.14 3hrs h SER 70 N 0.31 -0.75 -0.65 0.57 0.87 -1.01 -1.53 113.55 111.37 3hrs h SER 70 Ca 0.37 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 61.16 3hrs h SER 70 Cb 0.57 0.29 -0.11 0.00 -0.44 0.00 0.00 62.40 62.72 3hrs h SER 70 CO -0.43 -0.34 0.02 0.44 -0.53 0.00 0.00 176.83 175.99 3hrs h ASP 71 N -0.43 -0.25 -0.76 6.23 3.45 -0.96 0.16 116.42 123.86 3hrs h ASP 71 Ca 0.05 0.16 0.12 0.00 0.43 0.00 0.00 57.03 57.79 3hrs h ASP 71 Cb 0.49 0.27 -0.09 0.00 -0.56 0.00 0.00 39.33 39.44 3hrs h ASP 71 CO -0.19 -0.11 0.36 -0.07 -1.57 0.00 0.00 179.24 177.66 3hrs h LEU 72 N 0.14 0.42 -0.15 1.55 3.38 -0.62 0.74 115.31 120.75 3hrs h LEU 72 Ca 0.34 0.09 -0.23 0.00 0.09 0.00 0.00 57.88 58.17 3hrs h LEU 72 Cb 0.56 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hrs h LEU 72 CO -0.54 0.20 -0.88 1.88 0.09 0.00 0.00 178.44 179.19 3hrs h TYR 73 N 0.55 0.91 0.15 1.13 0.05 -0.24 -1.37 116.97 118.15 3hrs h TYR 73 Ca 0.40 -0.45 0.02 0.00 0.05 0.00 0.00 58.73 58.75 3hrs h TYR 73 Cb 0.53 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 3hrs h TYR 73 CO -0.12 1.27 -0.35 0.00 -1.05 0.00 0.00 178.16 177.91 3hrs h ARG 74 N 0.41 -0.57 0.13 4.88 3.08 -0.21 0.17 114.38 122.27 3hrs h ARG 74 Ca -0.08 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hrs h ARG 74 Cb 1.51 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.66 3hrs h ARG 74 CO 0.17 -0.38 -0.30 -0.22 -1.07 0.00 0.00 179.97 178.17 3hrs h LYS 75 N -0.59 -0.51 -0.36 0.04 3.64 -0.82 0.28 116.57 118.24 3hrs h LYS 75 Ca 0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hrs h LYS 75 Cb 0.61 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3hrs h LYS 75 CO -0.18 -0.34 0.21 1.25 -2.27 0.00 0.00 179.45 178.12 3hrs h HIS 76 N -0.53 0.48 -0.04 1.91 2.76 -1.18 -1.07 115.15 117.48 3hrs h HIS 76 Ca 0.03 -0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.99 3hrs h HIS 76 Cb 0.55 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 3hrs h HIS 76 CO -0.26 0.36 -0.82 0.00 -1.30 0.00 0.00 177.93 175.90 3hrs h ARG 77 N 0.47 0.39 -0.37 5.26 3.08 -0.48 -1.35 114.38 121.38 3hrs h ARG 77 Ca 0.13 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 3hrs h ARG 77 Cb 0.02 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hrs h ARG 77 CO -0.02 1.02 -0.38 -0.07 -1.07 0.00 0.00 179.97 179.45 3hrs h LEU 78 N 0.24 0.94 -0.86 3.04 3.38 -0.36 -0.36 115.31 121.34 3hrs h LEU 78 Ca -0.05 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hrs h LEU 78 Cb 1.43 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3hrs h LEU 78 CO 0.14 1.21 0.54 0.40 0.09 0.00 0.00 178.44 180.82 3hrs h ILE 79 N 0.73 1.23 0.63 1.22 1.08 -1.25 0.22 117.51 121.38 3hrs h ILE 79 Ca 0.06 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 3hrs h ILE 79 Cb 0.96 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3hrs h ILE 79 CO 0.09 0.24 -0.45 -0.08 -0.69 0.00 0.00 178.15 177.26 3hrs h GLU 80 N 1.18 -1.00 -0.86 2.37 4.57 -0.92 0.41 114.58 120.33 3hrs h GLU 80 Ca 0.31 0.07 0.16 0.00 -1.18 0.00 0.00 59.36 58.72 3hrs h GLU 80 Cb -0.08 0.23 -0.10 0.00 -0.16 0.00 0.00 28.75 28.64 3hrs h GLU 80 CO -0.06 -0.67 0.44 0.28 -1.18 0.00 0.00 179.01 177.82 3hrs h VAL 81 N -1.04 0.69 -0.02 0.32 2.07 -0.80 -2.00 116.25 115.48 3hrs h VAL 81 Ca -0.08 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3hrs h VAL 81 Cb 0.86 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3hrs h VAL 81 CO 0.04 0.11 0.00 0.15 0.02 0.00 0.00 177.57 177.89 3hrs h PHE 82 N 0.60 0.04 -0.53 1.57 3.57 -0.13 -2.35 116.94 119.70 3hrs h PHE 82 Ca 0.48 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.98 3hrs h PHE 82 Cb 0.73 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 3hrs h PHE 82 CO -0.09 0.26 0.34 -0.07 -2.23 0.00 0.00 178.31 176.51 3hrs h LEU 83 N -0.20 0.62 0.12 0.59 3.38 -0.28 -0.43 115.31 119.11 3hrs h LEU 83 Ca 0.01 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3hrs h LEU 83 Cb 0.24 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hrs h LEU 83 CO 0.00 0.47 -0.73 1.62 0.09 0.00 0.00 178.44 179.89 3hrs h VAL 84 N 0.72 1.52 -0.09 1.22 3.04 -1.45 -1.14 116.25 120.08 3hrs h VAL 84 Ca 0.19 -2.50 -0.17 0.00 -1.01 0.00 0.00 66.70 63.22 3hrs h VAL 84 Cb -0.06 3.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 3hrs h VAL 84 CO -0.04 0.69 -0.66 0.45 -1.01 0.00 0.00 177.57 177.00 3hrs h HIS 85 N -0.48 0.47 0.03 3.17 3.86 -1.45 -2.61 115.15 118.14 3hrs h HIS 85 Ca -0.13 -0.19 -0.39 0.00 -1.16 0.00 0.00 60.37 58.50 3hrs h HIS 85 Cb 1.54 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.88 3hrs h HIS 85 CO 0.21 0.91 -2.33 0.72 0.86 0.00 0.00 177.93 178.29 3hrs n HIS 86 N -3.86 0.32 0.35 2.45 8.25 -0.18 -4.50 115.22 118.06 3hrs n HIS 86 Ca -0.03 0.08 0.10 0.00 -0.26 0.00 0.00 57.72 57.60 3hrs n HIS 86 Cb 0.66 -1.04 0.16 0.00 1.12 0.00 0.00 29.99 30.89 3hrs n HIS 86 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hrs n LEU 87 N -3.47 3.07 -2.84 2.41 4.77 -1.02 -4.98 117.00 114.93 3hrs n LEU 87 Ca -0.43 -1.41 -0.19 0.00 -0.03 0.00 0.00 56.01 53.94 3hrs n LEU 87 Cb 0.98 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3hrs n LEU 87 CO 0.27 0.65 -0.10 0.61 -1.33 0.00 0.00 177.39 177.48 3hrs n GLY 88 N 1.19 -0.50 3.71 -0.72 0.00 -0.98 -4.94 105.19 102.94 3hrs n GLY 88 Ca 0.15 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3hrs n GLY 88 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hrs n TYR 89 N -3.93 1.99 -3.94 1.61 4.02 -0.46 -4.96 117.16 111.49 3hrs n TYR 89 Ca -0.12 0.46 -0.25 0.00 -0.01 0.00 0.00 57.90 57.98 3hrs n TYR 89 Cb 0.61 -2.33 -0.03 0.00 -0.02 0.00 0.00 39.34 37.57 3hrs n TYR 89 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hrs s THR 90 N -1.29 5.31 0.27 -0.72 -4.23 -1.26 -4.64 115.64 109.08 3hrs s THR 90 Ca 0.68 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 3hrs s THR 90 Cb -0.45 -3.76 0.40 0.00 1.34 0.00 0.00 72.50 70.03 3hrs s THR 90 CO 0.52 -0.14 1.43 0.41 -0.54 0.00 0.00 174.62 176.31 3hrs n THR 91 N -0.70 -0.38 -0.06 3.99 -1.04 -1.26 -0.19 114.28 114.64 3hrs n THR 91 Ca -0.07 2.06 -0.11 0.00 -2.04 0.00 0.00 64.05 63.88 3hrs n THR 91 Cb 0.54 -2.93 -0.05 0.00 -1.82 0.00 0.00 70.33 66.08 3hrs n THR 91 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3hrs h GLU 92 N 0.00 0.31 -0.51 -2.82 4.81 -1.98 -1.13 114.58 113.25 3hrs h GLU 92 Ca 0.50 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.72 3hrs h GLU 92 Cb 0.92 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 3hrs h GLU 92 CO -0.90 0.47 0.19 0.93 -0.73 0.00 0.00 179.01 178.97 3hrs h GLU 93 N 0.10 0.36 -0.71 1.92 5.08 -0.96 -1.51 114.58 118.86 3hrs h GLU 93 Ca 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3hrs h GLU 93 Cb 0.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3hrs h GLU 93 CO 0.00 0.24 0.38 0.82 -1.00 0.00 0.00 179.01 179.45 3hrs h ILE 94 N 0.37 1.22 -0.23 3.13 2.04 -0.43 -1.12 117.51 122.49 3hrs h ILE 94 Ca 0.25 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3hrs h ILE 94 Cb 0.26 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3hrs h ILE 94 CO -0.25 0.24 0.16 -0.74 0.00 0.00 0.00 178.15 177.56 3hrs h HIS 95 N 0.98 0.12 0.00 1.37 2.76 -0.55 0.41 115.15 120.24 3hrs h HIS 95 Ca 0.25 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 3hrs h HIS 95 Cb 0.04 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3hrs h HIS 95 CO -0.00 0.07 -0.82 0.93 -1.30 0.00 0.00 177.93 176.81 3hrs h GLU 96 N 0.12 0.00 0.00 5.26 5.08 -0.24 -3.43 114.58 121.37 3hrs h GLU 96 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hrs h GLU 96 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hrs h GLU 96 CO -0.01 0.14 -0.92 0.39 -1.00 0.00 0.00 179.01 177.61 3hrs n GLU 97 N -2.89 0.15 -0.31 2.33 1.02 -0.66 -4.82 120.64 115.46 3hrs n GLU 97 Ca -0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.27 3hrs n GLU 97 Cb 0.64 -0.96 0.33 0.00 -0.02 0.00 0.00 31.44 31.42 3hrs n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hrs h ALA 98 N 0.00 1.48 -0.62 0.62 0.00 -1.13 -2.29 119.26 117.32 3hrs h ALA 98 Ca 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3hrs h ALA 98 Cb 0.92 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3hrs h ALA 98 CO 0.00 -0.38 0.05 1.49 0.00 0.00 0.00 179.25 180.41 3hrs h GLU 99 N 0.37 1.06 0.00 0.00 4.81 -1.87 -0.88 114.58 118.07 3hrs h GLU 99 Ca 0.58 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 3hrs h GLU 99 Cb 1.14 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3hrs h GLU 99 CO -0.55 1.01 -0.52 -0.39 -0.73 0.00 0.00 179.01 177.82 3hrs h VAL 100 N 0.96 1.28 -0.22 0.32 -1.51 -1.75 -1.80 116.25 113.54 3hrs h VAL 100 Ca 0.18 -1.86 -0.14 0.00 -1.23 0.00 0.00 66.70 63.65 3hrs h VAL 100 Cb 0.50 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3hrs h VAL 100 CO 0.02 0.51 -0.43 -0.07 -1.23 0.00 0.00 177.57 176.38 3hrs h LEU 101 N 0.00 0.76 -1.24 4.19 4.07 -1.34 -2.87 115.31 118.87 3hrs h LEU 101 Ca -0.01 -0.54 0.13 0.00 0.08 0.00 0.00 57.88 57.54 3hrs h LEU 101 Cb 0.99 -0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.44 3hrs h LEU 101 CO 0.07 1.16 0.57 -0.33 -1.08 0.00 0.00 178.44 178.83 3hrs h GLU 102 N 0.38 0.75 -0.16 1.13 5.08 -0.92 0.66 114.58 121.50 3hrs h GLU 102 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hrs h GLU 102 Cb 1.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3hrs h GLU 102 CO 0.10 0.50 0.00 0.72 -1.00 0.00 0.00 179.01 179.32 3hrs n HIS 103 N -4.56 0.21 0.03 4.33 8.25 -0.70 -4.37 115.22 118.41 3hrs n HIS 103 Ca 0.17 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3hrs n HIS 103 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 3hrs n HIS 103 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hrs n THR 104 N -0.04 0.08 -1.95 1.59 -1.04 -0.61 -5.07 114.28 107.24 3hrs n THR 104 Ca 0.08 0.03 -0.38 0.00 -2.04 0.00 0.00 64.05 61.75 3hrs n THR 104 Cb 0.16 -0.80 0.03 0.00 -1.82 0.00 0.00 70.33 67.90 3hrs n THR 104 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3hrs s VAL 105 N -2.00 2.44 0.64 12.58 -7.23 0.13 -4.99 120.40 121.96 3hrs s VAL 105 Ca 0.00 0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 60.38 3hrs s VAL 105 Cb 0.00 -3.16 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 3hrs s VAL 105 CO 0.00 -0.02 1.04 -0.94 -0.31 0.00 0.00 175.10 174.87 3hrs s SER 106 N -1.19 6.08 0.56 4.85 1.04 -1.26 -4.95 113.70 118.83 3hrs s SER 106 Ca 0.71 1.38 0.24 0.00 0.48 0.00 0.00 55.95 58.76 3hrs s SER 106 Cb -0.35 -2.39 1.56 0.00 0.10 0.00 0.00 66.02 64.94 3hrs s SER 106 CO 0.41 -0.96 2.18 0.44 0.98 0.00 0.00 173.24 176.29 3hrs h ASP 107 N -0.38 0.00 0.27 7.02 3.32 -1.99 -1.77 116.42 122.89 3hrs h ASP 107 Ca -0.44 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.44 3hrs h ASP 107 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3hrs h ASP 107 CO 0.62 0.00 -0.65 -0.74 -1.72 0.00 0.00 179.24 176.75 3hrs h HIS 108 N 0.00 0.47 -0.10 4.55 -0.00 -1.99 -0.36 115.15 117.71 3hrs h HIS 108 Ca 0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 3hrs h HIS 108 Cb 0.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 3hrs h HIS 108 CO 0.00 0.90 0.07 0.35 -0.00 0.00 0.00 177.93 179.25 3hrs h PHE 109 N 0.26 0.13 -0.71 5.26 3.57 -1.72 -1.22 116.94 122.50 3hrs h PHE 109 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3hrs h PHE 109 Cb 1.19 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 3hrs h PHE 109 CO 0.03 0.09 0.31 0.28 -2.23 0.00 0.00 178.31 176.80 3hrs h VAL 110 N 0.13 1.24 -0.26 1.41 2.07 -1.05 0.12 116.25 119.91 3hrs h VAL 110 Ca 0.04 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3hrs h VAL 110 Cb -0.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3hrs h VAL 110 CO -0.01 0.29 0.01 -0.33 0.02 0.00 0.00 177.57 177.55 3hrs h GLU 111 N 1.02 0.45 -0.27 1.57 3.07 -0.87 -1.29 114.58 118.27 3hrs h GLU 111 Ca 0.24 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 3hrs h GLU 111 Cb 0.15 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3hrs h GLU 111 CO -0.03 0.62 0.14 0.00 -1.40 0.00 0.00 179.01 178.34 3hrs h ARG 112 N 0.24 0.38 -0.80 2.33 2.47 -0.70 -2.43 114.38 115.86 3hrs h ARG 112 Ca 0.07 -0.05 0.19 0.00 -1.26 0.00 0.00 59.98 58.94 3hrs h ARG 112 Cb 0.41 -0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 28.52 3hrs h ARG 112 CO 0.01 0.35 0.08 1.25 0.56 0.00 0.00 179.97 182.22 3hrs h LEU 113 N 0.31 -0.23 -0.39 3.04 6.46 -0.66 0.73 115.31 124.57 3hrs h LEU 113 Ca 0.09 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 58.08 3hrs h LEU 113 Cb 0.09 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 3hrs h LEU 113 CO -0.01 -0.17 0.18 -0.78 -0.62 0.00 0.00 178.44 177.04 3hrs h ASP 114 N 0.14 0.25 -0.49 1.25 3.58 -0.75 -0.44 116.42 119.97 3hrs h ASP 114 Ca 0.46 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.90 3hrs h ASP 114 Cb 0.85 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 3hrs h ASP 114 CO -0.66 0.18 0.19 -0.61 -2.88 0.00 0.00 179.24 175.47 3hrs h GLN 115 N 0.37 0.74 -0.98 0.28 4.15 -0.85 -1.38 115.11 117.45 3hrs h GLN 115 Ca 0.17 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.50 3hrs h GLN 115 Cb 0.09 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 3hrs h GLN 115 CO -0.13 0.67 0.64 1.25 -1.93 0.00 0.00 178.83 179.33 3hrs h LEU 116 N 0.66 1.04 -0.06 -2.39 5.85 -0.09 -0.43 115.31 119.90 3hrs h LEU 116 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hrs h LEU 116 Cb 0.21 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3hrs h LEU 116 CO -0.01 0.69 -0.00 0.18 -0.34 0.00 0.00 178.44 178.95 3hrs n LEU 117 N -4.47 0.09 -2.73 2.25 4.77 -0.25 -4.90 117.00 111.76 3hrs n LEU 117 Ca 0.14 0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 3hrs n LEU 117 Cb 0.14 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3hrs n LEU 117 CO 0.34 0.02 0.17 -0.67 -1.33 0.00 0.00 177.39 175.91 3hrs n ASP 118 N -1.00 -4.75 -3.40 -1.43 2.03 -0.17 -4.18 116.55 103.66 3hrs n ASP 118 Ca 0.21 -0.40 -0.18 0.00 0.52 0.00 0.00 54.79 54.95 3hrs n ASP 118 Cb 0.15 -3.77 0.04 0.00 -0.72 0.00 0.00 41.12 36.82 3hrs n ASP 118 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3hrs n TYR 119 N -4.17 -2.35 -2.10 -0.67 4.02 -0.56 -4.93 117.16 106.40 3hrs n TYR 119 Ca -0.02 0.77 -0.42 0.00 -0.01 0.00 0.00 57.90 58.22 3hrs n TYR 119 Cb 0.55 -3.79 -0.03 0.00 -0.02 0.00 0.00 39.34 36.05 3hrs n TYR 119 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3hrs s PRO 120 N -4.69 4.26 0.00 -0.72 0.05 -1.26 -4.91 135.00 127.73 3hrs s PRO 120 Ca 0.34 2.13 0.17 0.00 0.05 0.00 0.00 61.00 63.69 3hrs s PRO 120 Cb -0.08 -3.49 0.96 0.00 0.05 0.00 0.00 34.50 31.93 3hrs s PRO 120 CO 0.79 -0.60 1.63 1.63 0.05 0.00 0.00 177.00 180.50 3hrs n LYS 121 N 5.09 1.10 -3.63 4.56 5.02 -1.26 -4.63 118.16 124.41 3hrs n LYS 121 Ca 0.14 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 3hrs n LYS 121 Cb 0.42 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 3hrs n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hrs s ALA 122 N -1.97 -1.94 0.76 7.82 0.00 -1.26 -2.25 121.76 122.92 3hrs s ALA 122 Ca 0.26 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.95 3hrs s ALA 122 Cb 0.12 -1.28 0.06 0.00 0.00 0.00 0.00 23.12 22.02 3hrs s ALA 122 CO 0.20 -0.26 1.12 0.00 0.00 0.00 0.00 175.76 176.82 3hrs h PRO 124 N -0.84 0.00 -0.63 0.00 0.11 -1.90 -0.58 132.00 128.16 3hrs h PRO 124 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hrs h PRO 124 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3hrs h PRO 124 CO 0.64 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.15 3hrs n HIS 125 N -2.63 1.25 -0.03 0.65 8.25 -1.26 -4.86 115.22 116.58 3hrs n HIS 125 Ca -0.02 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3hrs n HIS 125 Cb 0.08 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.97 3hrs n HIS 125 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hrs n GLY 126 N 0.95 1.81 3.71 -1.41 0.00 -0.22 -2.09 105.19 107.94 3hrs n GLY 126 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3hrs n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrs n GLY 127 N -2.00 1.16 3.83 -0.02 0.00 -1.26 -4.73 105.19 102.17 3hrs n GLY 127 Ca 0.00 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 3hrs n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hrs s THR 128 N 0.23 4.44 -0.40 2.61 -1.32 -1.26 -0.60 115.64 119.34 3hrs s THR 128 Ca 0.68 1.40 0.04 0.00 -1.21 0.00 0.00 61.69 62.60 3hrs s THR 128 Cb -0.56 -3.64 0.11 0.00 -1.51 0.00 0.00 72.50 66.90 3hrs s THR 128 CO 0.46 -0.43 0.12 -0.63 -2.21 0.00 0.00 174.62 171.93 3hrs s ILE 129 N -2.32 2.27 0.55 5.08 1.01 -0.95 -4.81 121.20 122.03 3hrs s ILE 129 Ca 0.61 -2.60 -0.21 0.00 0.00 0.00 0.00 60.65 58.45 3hrs s ILE 129 Cb -0.09 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3hrs s ILE 129 CO 0.19 -0.68 1.26 -2.16 0.00 0.00 0.00 174.94 173.55 3hrs s PRO 130 N 0.55 3.18 0.74 2.79 0.04 -1.26 -4.72 135.00 136.33 3hrs s PRO 130 Ca 0.13 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.00 3hrs s PRO 130 Cb -0.21 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.23 3hrs s PRO 130 CO -0.06 -1.07 1.16 0.00 0.04 0.00 0.00 177.00 177.07 3hrs s ALA 131 N -1.47 2.12 -0.11 8.56 0.00 -1.26 -4.82 121.76 124.78 3hrs s ALA 131 Ca 0.73 0.71 -0.40 0.00 0.00 0.00 0.00 51.96 52.99 3hrs s ALA 131 Cb -0.34 -3.41 -0.18 0.00 0.00 0.00 0.00 23.12 19.19 3hrs s ALA 131 CO 0.39 -1.85 1.40 1.17 0.00 0.00 0.00 175.76 176.87 3hrs n LYS 132 N -2.93 0.64 0.00 0.00 4.81 -1.26 -1.69 118.16 117.73 3hrs n LYS 132 Ca 0.12 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3hrs n LYS 132 Cb 0.51 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.74 3hrs n LYS 132 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hrs n GLY 133 N 2.84 2.90 3.88 3.14 0.00 -1.26 -5.00 105.19 111.69 3hrs n GLY 133 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3hrs n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hrs s GLU 134 N 0.00 2.36 -0.17 1.61 2.12 -0.68 -5.00 118.70 118.94 3hrs s GLU 134 Ca 0.00 0.32 -0.08 0.00 0.36 0.00 0.00 54.97 55.56 3hrs s GLU 134 Cb 0.00 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 3hrs s GLU 134 CO 0.00 -1.36 0.12 -0.51 -0.54 0.00 0.00 175.26 172.97 3hrs s LEU 135 N -5.51 4.19 -0.35 2.70 1.02 -1.26 -4.69 118.68 114.79 3hrs s LEU 135 Ca 0.60 0.29 -0.41 0.00 0.02 0.00 0.00 54.13 54.63 3hrs s LEU 135 Cb -0.11 -2.05 -0.16 0.00 0.02 0.00 0.00 46.19 43.88 3hrs s LEU 135 CO 0.51 0.27 1.80 -0.11 0.02 0.00 0.00 176.35 178.83 3hrs n LEU 136 N 2.94 2.02 -3.56 1.79 7.94 -1.26 -4.91 117.00 121.95 3hrs n LEU 136 Ca -0.18 1.00 -0.29 0.00 -1.11 0.00 0.00 56.01 55.43 3hrs n LEU 136 Cb 0.53 -1.08 -0.14 0.00 0.53 0.00 0.00 43.42 43.25 3hrs n LEU 136 CO 0.34 -0.56 -0.33 -0.69 -1.11 0.00 0.00 177.39 175.05 3hrs s VAL 137 N 4.03 0.16 0.26 1.96 1.01 -1.26 -5.08 120.40 121.47 3hrs s VAL 137 Ca 1.03 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 3hrs s VAL 137 Cb -1.17 -1.14 -0.12 0.00 0.00 0.00 0.00 36.38 33.96 3hrs s VAL 137 CO 0.67 -0.77 1.66 -1.61 0.00 0.00 0.00 175.10 175.05 3hrs s GLU 138 N 1.79 4.12 0.25 2.72 0.41 -1.26 -4.89 118.70 121.84 3hrs s GLU 138 Ca 0.11 2.61 -0.04 0.00 -0.41 0.00 0.00 54.97 57.23 3hrs s GLU 138 Cb -0.18 -3.04 0.29 0.00 -1.78 0.00 0.00 34.13 29.42 3hrs s GLU 138 CO -0.27 -0.70 1.81 -0.22 -0.49 0.00 0.00 175.26 175.38 3hrs h LYS 139 N 5.74 1.01 -4.59 1.61 3.64 -1.95 -3.40 116.57 118.63 3hrs h LYS 139 Ca -0.45 -0.19 -0.69 0.00 -1.27 0.00 0.00 60.65 58.05 3hrs h LYS 139 Cb 1.21 -0.16 -0.35 0.00 -0.41 0.00 0.00 32.23 32.52 3hrs h LYS 139 CO 0.87 0.85 -0.61 -1.01 -2.27 0.00 0.00 179.45 177.28 3hrs s HIS 140 N -5.39 3.53 -0.15 1.91 3.76 -1.26 -4.92 115.29 112.77 3hrs s HIS 140 Ca -0.11 -2.36 0.18 0.00 -0.15 0.00 0.00 55.06 52.62 3hrs s HIS 140 Cb 0.16 -2.89 -0.26 0.00 1.11 0.00 0.00 32.58 30.69 3hrs s HIS 140 CO 0.82 -0.92 0.18 1.63 -0.85 0.00 0.00 174.74 175.59 3hrs n LYS 141 N 4.55 0.76 -2.14 1.40 5.02 -1.26 -4.95 118.16 121.54 3hrs n LYS 141 Ca -0.04 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.76 3hrs n LYS 141 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3hrs n LYS 141 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hrs s LEU 142 N -5.16 3.49 0.50 -0.35 1.98 -1.26 -4.97 118.68 112.91 3hrs s LEU 142 Ca -0.09 0.95 -0.08 0.00 -2.89 0.00 0.00 54.13 52.02 3hrs s LEU 142 Cb 0.08 -3.36 -0.05 0.00 0.66 0.00 0.00 46.19 43.52 3hrs s LEU 142 CO 0.82 -1.71 0.85 0.28 -1.89 0.00 0.00 176.35 174.71 3hrs s THR 143 N 6.64 4.81 0.13 3.68 -1.32 -1.26 -0.40 115.64 127.93 3hrs s THR 143 Ca 0.70 0.52 -0.18 0.00 -1.21 0.00 0.00 61.69 61.52 3hrs s THR 143 Cb -0.18 -3.83 -0.02 0.00 -1.51 0.00 0.00 72.50 66.96 3hrs s THR 143 CO 0.31 -0.84 1.76 0.25 -2.21 0.00 0.00 174.62 173.89 3hrs h LEU 144 N 0.35 0.38 -1.23 9.08 5.85 -0.65 -2.72 115.31 126.37 3hrs h LEU 144 Ca -0.46 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.22 3hrs h LEU 144 Cb 1.20 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3hrs h LEU 144 CO 0.62 0.32 0.52 1.05 -0.34 0.00 0.00 178.44 180.61 3hrs h GLU 145 N 0.41 1.03 -1.17 1.25 4.11 -1.78 -1.10 114.58 117.33 3hrs h GLU 145 Ca 0.12 -0.06 -0.46 0.00 0.07 0.00 0.00 59.36 59.02 3hrs h GLU 145 Cb 0.01 -0.23 -0.22 0.00 0.50 0.00 0.00 28.75 28.81 3hrs h GLU 145 CO -0.02 0.68 0.59 -0.85 0.07 0.00 0.00 179.01 179.48 3hrs n GLU 146 N -4.42 2.13 -3.52 1.06 0.28 -1.04 -4.87 120.64 110.26 3hrs n GLU 146 Ca 0.09 -2.36 -0.40 0.00 -0.16 0.00 0.00 57.16 54.33 3hrs n GLU 146 Cb 0.03 -1.92 -0.10 0.00 1.43 0.00 0.00 31.44 30.87 3hrs n GLU 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hrs s ALA 147 N -2.69 3.51 0.00 -1.84 0.00 -0.42 -4.72 121.76 115.61 3hrs s ALA 147 Ca 0.46 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3hrs s ALA 147 Cb 0.37 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3hrs s ALA 147 CO 0.02 -0.87 0.25 1.63 0.00 0.00 0.00 175.76 176.80 3hrs n LYS 148 N 5.15 0.00 -1.50 0.00 5.02 -1.26 -4.91 118.16 120.65 3hrs n LYS 148 Ca -0.12 0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 3hrs n LYS 148 Cb 0.50 -0.84 0.09 0.00 -0.02 0.00 0.00 35.03 34.76 3hrs n LYS 148 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hrs s GLU 149 N -0.80 2.21 0.67 1.97 2.02 -1.26 -5.01 118.70 118.49 3hrs s GLU 149 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 54.97 56.90 3hrs s GLU 149 Cb 0.00 -1.82 0.10 0.00 0.10 0.00 0.00 34.13 32.51 3hrs s GLU 149 CO 0.00 -1.82 0.93 0.15 0.02 0.00 0.00 175.26 174.54 3hrs s LYS 150 N -3.70 1.93 0.00 1.61 3.01 -1.26 -4.95 119.74 116.38 3hrs s LYS 150 Ca 0.78 -1.06 0.00 0.00 -1.01 0.00 0.00 55.97 54.68 3hrs s LYS 150 Cb -0.33 -2.39 0.00 0.00 -1.01 0.00 0.00 37.83 34.10 3hrs s LYS 150 CO 0.44 -1.23 0.00 0.41 0.51 0.00 0.00 175.35 175.48 3hrs n GLY 151 N -2.68 -0.59 3.78 -3.33 0.00 -0.68 -4.95 105.19 96.75 3hrs n GLY 151 Ca 0.13 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 3hrs n GLY 151 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hrs s ASP 152 N -4.00 6.72 -0.05 1.61 1.01 -1.26 -0.71 116.67 120.00 3hrs s ASP 152 Ca 0.00 2.15 -0.15 0.00 0.71 0.00 0.00 52.55 55.26 3hrs s ASP 152 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3hrs s ASP 152 CO 0.00 -0.52 0.33 -0.31 0.21 0.00 0.00 175.17 174.88 3hrs s TYR 153 N -1.54 -0.25 -0.02 4.23 1.51 0.25 -2.82 117.35 118.71 3hrs s TYR 153 Ca 0.56 0.49 -0.18 0.00 -1.01 0.00 0.00 57.07 56.93 3hrs s TYR 153 Cb -0.25 0.12 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 3hrs s TYR 153 CO 0.32 -0.34 0.52 0.42 -1.11 0.00 0.00 175.55 175.36 3hrs s ILE 154 N -0.89 4.98 -0.98 2.71 1.01 -0.46 0.02 121.20 127.59 3hrs s ILE 154 Ca -0.10 1.08 -0.23 0.00 0.00 0.00 0.00 60.65 61.40 3hrs s ILE 154 Cb -0.04 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.64 3hrs s ILE 154 CO 0.03 0.45 1.38 -0.22 0.00 0.00 0.00 174.94 176.59 3hrs s LEU 155 N -0.34 3.71 -0.04 2.97 2.96 -0.99 -1.96 118.68 124.99 3hrs s LEU 155 Ca 0.28 -1.45 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 3hrs s LEU 155 Cb -0.17 -2.54 -0.31 0.00 0.50 0.00 0.00 46.19 43.67 3hrs s LEU 155 CO 0.15 -1.47 0.70 0.00 -1.32 0.00 0.00 176.35 174.40 3hrs h ALA 156 N 9.68 0.15 -2.44 5.97 0.00 -1.11 -1.29 119.26 130.21 3hrs h ALA 156 Ca 0.15 -1.13 -0.11 0.00 0.00 0.00 0.00 54.91 53.81 3hrs h ALA 156 Cb 1.02 0.43 -0.16 0.00 0.00 0.00 0.00 17.79 19.08 3hrs h ALA 156 CO 1.37 1.02 -0.55 0.50 0.00 0.00 0.00 179.25 181.59 3hrs s ARG 157 N -2.58 0.66 0.03 0.00 3.52 -0.85 -4.16 118.95 115.56 3hrs s ARG 157 Ca -0.15 -0.99 -0.00 0.00 -0.13 0.00 0.00 55.73 54.46 3hrs s ARG 157 Cb 0.05 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 3hrs s ARG 157 CO 0.86 -0.16 -0.03 0.14 -0.81 0.00 0.00 175.30 175.29 3hrs s VAL 158 N -3.45 0.16 0.53 7.11 -7.23 -0.89 -0.42 120.40 116.21 3hrs s VAL 158 Ca 0.02 -1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 58.84 3hrs s VAL 158 Cb 0.04 -0.61 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 3hrs s VAL 158 CO -0.08 -0.63 1.09 -1.00 -0.31 0.00 0.00 175.10 174.16 3hrs s HIS 159 N -2.12 2.82 0.43 2.82 3.76 -1.11 -4.78 115.29 117.11 3hrs s HIS 159 Ca -0.10 1.56 0.22 0.00 -0.15 0.00 0.00 55.06 56.59 3hrs s HIS 159 Cb -0.05 -3.18 1.25 0.00 1.11 0.00 0.00 32.58 31.71 3hrs s HIS 159 CO -0.03 -1.24 2.03 0.22 -0.85 0.00 0.00 174.74 174.86 3hrs h ASP 160 N 1.25 0.00 -0.15 1.40 1.82 -1.95 -3.43 116.42 115.36 3hrs h ASP 160 Ca -0.49 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 55.97 3hrs h ASP 160 Cb 1.24 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.25 3hrs h ASP 160 CO 0.58 0.16 0.17 -3.20 -1.61 0.00 0.00 179.24 175.34 3hrs n ASN 161 N -3.92 0.22 0.24 2.28 5.15 -1.26 -4.69 115.26 113.29 3hrs n ASN 161 Ca -0.02 0.22 0.07 0.00 -0.60 0.00 0.00 54.58 54.24 3hrs n ASN 161 Cb 0.25 -0.18 0.58 0.00 -0.53 0.00 0.00 39.78 39.89 3hrs n ASN 161 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3hrs h PHE 162 N 1.23 0.02 0.13 1.20 3.57 -1.98 0.27 116.94 121.38 3hrs h PHE 162 Ca -0.07 -0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.13 3hrs h PHE 162 Cb 0.28 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 39.04 3hrs h PHE 162 CO 0.15 0.09 -1.26 -0.44 -2.23 0.00 0.00 178.31 174.62 3hrs h ASP 163 N 0.02 0.77 -0.15 0.41 3.45 -1.98 -2.36 116.42 116.57 3hrs h ASP 163 Ca 0.00 -0.74 -0.01 0.00 0.43 0.00 0.00 57.03 56.72 3hrs h ASP 163 Cb 0.13 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 3hrs h ASP 163 CO 0.01 1.55 0.06 0.25 -1.57 0.00 0.00 179.24 179.54 3hrs h LEU 164 N 0.22 0.20 -0.28 1.55 5.85 -1.60 -0.76 115.31 120.50 3hrs h LEU 164 Ca -0.18 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3hrs h LEU 164 Cb 1.94 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.87 3hrs h LEU 164 CO 0.23 0.31 0.02 -0.07 -0.34 0.00 0.00 178.44 178.59 3hrs h LEU 165 N 0.08 -0.07 -0.70 2.25 4.07 -0.57 0.38 115.31 120.76 3hrs h LEU 165 Ca 0.05 0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.14 3hrs h LEU 165 Cb 0.17 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.94 3hrs h LEU 165 CO -0.00 -0.00 0.38 0.74 -1.08 0.00 0.00 178.44 178.47 3hrs h THR 166 N 0.11 0.92 -0.95 0.22 2.02 -1.22 0.15 112.91 114.16 3hrs h THR 166 Ca 0.13 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3hrs h THR 166 Cb 0.16 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 3hrs h THR 166 CO -0.21 0.12 0.63 0.22 0.37 0.00 0.00 175.52 176.65 3hrs h TYR 167 N 0.67 1.18 -0.06 3.16 3.20 -0.26 -1.29 116.97 123.57 3hrs h TYR 167 Ca 0.33 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.08 3hrs h TYR 167 Cb 0.26 -0.40 0.01 0.00 1.54 0.00 0.00 36.73 38.14 3hrs h TYR 167 CO -0.09 0.72 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.54 3hrs h LEU 168 N 1.25 0.58 -1.38 2.82 3.38 0.12 -2.56 115.31 119.52 3hrs h LEU 168 Ca 0.36 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3hrs h LEU 168 Cb -0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3hrs h LEU 168 CO -0.09 1.18 -0.12 -0.33 0.09 0.00 0.00 178.44 179.17 3hrs h GLU 169 N 0.03 0.26 0.00 1.13 5.08 -0.77 0.50 114.58 120.81 3hrs h GLU 169 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hrs h GLU 169 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hrs h GLU 169 CO 0.11 0.39 0.00 -2.13 -1.00 0.00 0.00 179.01 176.38 3hrs n ARG 170 N -4.27 0.36 -0.26 2.33 0.63 -0.49 -2.38 116.66 112.58 3hrs n ARG 170 Ca -0.01 0.05 0.04 0.00 -0.92 0.00 0.00 57.85 57.01 3hrs n ARG 170 Cb 0.27 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 31.74 3hrs n ARG 170 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hrs n ASN 171 N -1.29 1.13 -3.91 6.15 5.03 -0.50 -5.01 115.26 116.87 3hrs n ASN 171 Ca 0.12 -2.41 -0.30 0.00 0.87 0.00 0.00 54.58 52.86 3hrs n ASN 171 Cb 0.20 -0.28 0.03 0.00 -1.02 0.00 0.00 39.78 38.71 3hrs n ASN 171 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hrs n GLY 172 N -0.65 -0.48 3.58 7.41 0.00 0.43 -4.97 105.19 110.51 3hrs n GLY 172 Ca 0.07 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 3hrs n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrs s LEU 173 N -7.25 3.73 -0.10 0.99 1.43 0.15 -4.97 118.68 112.67 3hrs s LEU 173 Ca 0.62 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.63 3hrs s LEU 173 Cb -0.31 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 43.97 3hrs s LEU 173 CO 0.83 0.11 0.26 -1.58 0.23 0.00 0.00 176.35 176.20 3hrs s GLN 174 N 0.77 0.32 -0.00 1.70 0.74 -1.26 -4.08 119.66 117.85 3hrs s GLN 174 Ca 0.04 0.35 -0.31 0.00 0.05 0.00 0.00 55.36 55.49 3hrs s GLN 174 Cb -0.13 0.15 -0.09 0.00 1.10 0.00 0.00 33.01 34.04 3hrs s GLN 174 CO 0.02 -0.04 1.98 0.28 -0.55 0.00 0.00 175.29 176.98 3hrs n VAL 175 N 2.88 0.71 0.00 1.34 0.31 -1.26 -2.00 118.33 120.32 3hrs n VAL 175 Ca -0.13 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3hrs n VAL 175 Cb 0.58 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 3hrs n VAL 175 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hrs n GLY 176 N 4.63 3.25 3.57 2.92 0.00 -0.49 -5.04 105.19 114.03 3hrs n GLY 176 Ca 0.21 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 3hrs n GLY 176 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hrs n LYS 177 N 0.00 -0.39 -3.69 1.61 5.02 -0.85 -4.62 118.16 115.25 3hrs n LYS 177 Ca 0.00 -0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 3hrs n LYS 177 Cb 0.00 -2.18 -0.04 0.00 -0.02 0.00 0.00 35.03 32.80 3hrs n LYS 177 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hrs s THR 178 N -2.54 5.20 -0.04 -0.18 2.01 -1.26 -2.35 115.64 116.48 3hrs s THR 178 Ca 0.63 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 3hrs s THR 178 Cb -0.22 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.62 3hrs s THR 178 CO 0.62 -0.10 0.08 -0.63 -0.69 0.00 0.00 174.62 173.89 3hrs s ILE 179 N -1.80 -0.09 -0.38 1.82 -1.09 0.10 -4.64 121.20 115.12 3hrs s ILE 179 Ca 0.39 0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 58.92 3hrs s ILE 179 Cb -0.11 -0.16 0.01 0.00 -1.58 0.00 0.00 42.46 40.61 3hrs s ILE 179 CO 0.28 0.11 0.36 -0.13 -1.23 0.00 0.00 174.94 174.33 3hrs s ARG 180 N 1.46 3.26 -0.12 2.79 0.52 -1.15 0.87 118.95 126.58 3hrs s ARG 180 Ca -0.05 -0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 54.17 3hrs s ARG 180 Cb -0.12 -3.90 -0.01 0.00 0.52 0.00 0.00 34.95 31.43 3hrs s ARG 180 CO -0.04 -0.68 0.96 0.12 0.02 0.00 0.00 175.30 175.68 3hrs s PHE 181 N 1.94 3.50 -1.51 -0.53 5.36 0.11 -0.43 117.98 126.42 3hrs s PHE 181 Ca 0.10 1.51 0.19 0.00 -0.96 0.00 0.00 56.93 57.76 3hrs s PHE 181 Cb -0.17 -3.13 0.58 0.00 -0.34 0.00 0.00 43.02 39.95 3hrs s PHE 181 CO 0.12 -0.21 1.48 1.28 -1.46 0.00 0.00 175.22 176.43 3hrs n LEU 182 N 4.99 3.86 0.00 6.12 4.77 0.47 -1.68 117.00 135.53 3hrs n LEU 182 Ca 0.07 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 3hrs n LEU 182 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3hrs n LEU 182 CO 0.51 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 3hrs n GLY 183 N 1.21 0.06 3.69 -0.72 0.00 -1.26 -4.81 105.19 103.37 3hrs n GLY 183 Ca 0.22 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3hrs n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hrs s TYR 184 N -2.73 3.37 -0.24 1.61 5.04 -1.26 -3.03 117.35 120.11 3hrs s TYR 184 Ca 0.00 1.42 -0.29 0.00 -2.44 0.00 0.00 57.07 55.76 3hrs s TYR 184 Cb 0.00 -3.29 0.01 0.00 0.35 0.00 0.00 41.96 39.02 3hrs s TYR 184 CO 0.00 -0.72 1.06 0.34 -1.34 0.00 0.00 175.55 174.89 3hrs s ASP 185 N 1.27 7.07 0.46 4.32 -1.08 -0.73 -4.95 116.67 123.03 3hrs s ASP 185 Ca 0.52 1.36 0.14 0.00 -0.52 0.00 0.00 52.55 54.05 3hrs s ASP 185 Cb -0.21 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 39.80 3hrs s ASP 185 CO 0.20 -0.70 2.04 0.44 0.52 0.00 0.00 175.17 177.67 3hrs h ASP 186 N 7.58 0.26 0.00 -0.34 3.32 -1.95 -2.23 116.42 123.05 3hrs h ASP 186 Ca -0.20 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.63 3hrs h ASP 186 Cb 1.06 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 3hrs h ASP 186 CO 0.99 0.17 -1.84 0.33 -1.72 0.00 0.00 179.24 177.17 3hrs n PHE 187 N -4.48 0.00 -0.53 4.55 -0.00 -1.26 -4.42 117.46 111.32 3hrs n PHE 187 Ca 0.05 0.00 0.44 0.00 -0.00 0.00 0.00 57.45 57.94 3hrs n PHE 187 Cb 0.25 -0.58 0.75 0.00 -0.00 0.00 0.00 39.48 39.90 3hrs n PHE 187 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3hrs h SER 188 N 0.00 0.08 -1.24 -2.13 0.87 -1.96 -3.44 113.55 105.73 3hrs h SER 188 Ca -0.33 0.04 -0.34 0.00 -1.23 0.00 0.00 61.79 59.93 3hrs h SER 188 Cb 1.60 0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 63.49 3hrs h SER 188 CO -0.03 -0.05 -0.34 1.41 -0.53 0.00 0.00 176.83 177.30 3hrs n HIS 189 N -4.22 -0.23 -4.38 2.24 8.25 -0.85 -4.99 115.22 111.04 3hrs n HIS 189 Ca 0.37 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.60 3hrs n HIS 189 Cb 1.64 -3.01 -0.09 0.00 1.12 0.00 0.00 29.99 29.65 3hrs n HIS 189 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hrs s LEU 190 N -4.06 2.90 -0.13 2.41 1.43 -1.25 -4.25 118.68 115.74 3hrs s LEU 190 Ca 0.00 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 3hrs s LEU 190 Cb 0.00 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3hrs s LEU 190 CO 0.00 0.00 -0.07 -0.31 0.23 0.00 0.00 176.35 176.20 3hrs s TYR 191 N -2.42 2.94 -0.20 0.29 2.02 -0.22 -1.78 117.35 117.98 3hrs s TYR 191 Ca 0.31 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.60 3hrs s TYR 191 Cb -0.05 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 3hrs s TYR 191 CO 0.18 0.00 0.10 -1.12 -1.57 0.00 0.00 175.55 173.14 3hrs s SER 192 N 0.07 5.91 0.10 2.29 0.01 -1.17 -1.44 113.70 119.47 3hrs s SER 192 Ca -0.02 0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.43 3hrs s SER 192 Cb -0.14 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 3hrs s SER 192 CO 0.03 0.16 -0.15 -0.76 0.41 0.00 0.00 173.24 172.93 3hrs s LEU 193 N 0.48 2.34 -0.59 2.44 1.43 -0.69 -0.40 118.68 123.70 3hrs s LEU 193 Ca 0.06 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3hrs s LEU 193 Cb -0.12 -0.57 0.15 0.00 0.03 0.00 0.00 46.19 45.68 3hrs s LEU 193 CO -0.00 -0.10 0.37 -0.70 0.23 0.00 0.00 176.35 176.15 3hrs s GLU 194 N -2.24 2.32 -0.43 1.70 2.56 0.43 -2.11 118.70 120.93 3hrs s GLU 194 Ca 0.04 -2.67 -0.09 0.00 0.00 0.00 0.00 54.97 52.25 3hrs s GLU 194 Cb -0.07 -3.53 0.08 0.00 2.00 0.00 0.00 34.13 32.61 3hrs s GLU 194 CO 0.03 -1.15 0.27 0.54 -0.56 0.00 0.00 175.26 174.39 3hrs s VAL 195 N -0.33 4.27 -0.57 3.70 0.11 -0.74 -2.95 120.40 123.89 3hrs s VAL 195 Ca 0.18 -1.42 -0.02 0.00 -2.93 0.00 0.00 61.98 57.79 3hrs s VAL 195 Cb -0.22 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 3hrs s VAL 195 CO -0.03 -0.53 0.49 0.47 -3.33 0.00 0.00 175.10 172.16 3hrs n ASP 196 N 4.93 -2.77 0.00 3.54 8.00 -1.26 -3.14 116.55 125.85 3hrs n ASP 196 Ca -0.10 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.13 3hrs n ASP 196 Cb 0.43 -2.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 3hrs n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrs n GLY 197 N -1.11 0.09 3.82 0.44 0.00 -1.26 -4.92 105.19 102.25 3hrs n GLY 197 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3hrs n GLY 197 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hrs s GLN 198 N -0.67 3.68 0.46 1.61 0.74 -1.19 -5.05 119.66 119.24 3hrs s GLN 198 Ca 0.00 -0.18 -0.19 0.00 0.05 0.00 0.00 55.36 55.04 3hrs s GLN 198 Cb 0.00 -3.25 -0.10 0.00 1.10 0.00 0.00 33.01 30.76 3hrs s GLN 198 CO 0.00 0.61 0.96 -2.00 -0.55 0.00 0.00 175.29 174.30 3hrs s GLU 199 N -0.54 4.12 -0.20 1.67 2.12 -1.26 -1.79 118.70 122.83 3hrs s GLU 199 Ca 0.12 1.05 -0.26 0.00 0.36 0.00 0.00 54.97 56.24 3hrs s GLU 199 Cb -0.12 -2.17 0.07 0.00 0.26 0.00 0.00 34.13 32.17 3hrs s GLU 199 CO 0.02 -0.11 0.68 -1.50 -0.54 0.00 0.00 175.26 173.81 3hrs s ILE 200 N -2.34 0.00 -0.19 -3.70 2.07 -0.90 -4.94 121.20 111.20 3hrs s ILE 200 Ca 0.61 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.84 3hrs s ILE 200 Cb -0.09 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.54 3hrs s ILE 200 CO 0.20 -0.01 -0.17 -1.10 -1.91 0.00 0.00 174.94 171.96 3hrs s GLN 201 N -0.11 3.03 -0.00 3.50 -1.52 -1.26 -1.70 119.66 121.60 3hrs s GLN 201 Ca -0.03 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.56 3hrs s GLN 201 Cb -0.03 -2.66 -0.04 0.00 -0.22 0.00 0.00 33.01 30.05 3hrs s GLN 201 CO 0.04 -0.22 0.07 -0.51 -0.25 0.00 0.00 175.29 174.41 3hrs s LEU 202 N 1.32 3.82 0.80 2.90 1.43 -0.52 -4.92 118.68 123.51 3hrs s LEU 202 Ca 0.05 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 3hrs s LEU 202 Cb -0.13 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 43.93 3hrs s LEU 202 CO -0.11 0.27 1.17 0.00 0.23 0.00 0.00 176.35 177.91 3hrs s ALA 203 N -1.18 2.68 0.14 4.21 0.00 -1.26 -1.06 121.76 125.30 3hrs s ALA 203 Ca 0.22 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 3hrs s ALA 203 Cb -0.12 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.04 3hrs s ALA 203 CO 0.13 -1.60 1.71 0.37 0.00 0.00 0.00 175.76 176.36 3hrs h GLN 204 N -1.00 0.05 -0.12 0.00 -0.00 -1.97 -1.45 115.11 110.60 3hrs h GLN 204 Ca -0.46 -0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.22 3hrs h GLN 204 Cb 1.32 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.78 3hrs h GLN 204 CO 0.66 0.03 0.11 -1.00 0.00 0.00 0.00 178.83 178.63 3hrs h PRO 205 N 0.05 0.00 0.12 -2.39 0.13 -1.97 -1.38 132.00 126.55 3hrs h PRO 205 Ca 0.13 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.99 3hrs h PRO 205 Cb 0.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 3hrs h PRO 205 CO -0.24 0.00 -1.36 0.82 -0.23 0.00 0.00 178.00 176.99 3hrs h ILE 206 N 0.00 1.07 -0.05 -3.56 5.03 -1.88 -3.33 117.51 114.79 3hrs h ILE 206 Ca 0.06 -2.41 0.01 0.00 -0.12 0.00 0.00 64.86 62.41 3hrs h ILE 206 Cb 0.28 2.75 -0.00 0.00 -3.03 0.00 0.00 36.82 36.81 3hrs h ILE 206 CO -0.00 0.70 0.08 0.00 -0.68 0.00 0.00 178.15 178.25 3hrs h ALA 207 N -0.04 1.49 0.00 1.87 0.00 -0.75 0.15 119.26 121.98 3hrs h ALA 207 Ca -0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3hrs h ALA 207 Cb 1.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3hrs h ALA 207 CO 0.06 -0.10 -0.08 0.37 0.00 0.00 0.00 179.25 179.50 3hrs h GLN 208 N 0.00 0.00 -0.19 0.00 4.15 -1.38 -2.66 115.11 115.03 3hrs h GLN 208 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3hrs h GLN 208 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3hrs h GLN 208 CO -0.00 0.08 0.00 1.04 -1.93 0.00 0.00 178.83 178.02 3hrs n GLN 209 N -3.19 1.76 -5.03 1.69 6.02 0.51 -4.80 117.38 114.33 3hrs n GLN 209 Ca 0.01 -1.73 -0.32 0.00 -0.01 0.00 0.00 57.00 54.95 3hrs n GLN 209 Cb 0.39 -1.32 -0.15 0.00 1.02 0.00 0.00 30.24 30.17 3hrs n GLN 209 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hrs s ILE 210 N -1.17 2.54 -0.13 5.09 1.01 -1.19 -2.77 121.20 124.59 3hrs s ILE 210 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3hrs s ILE 210 Cb 0.14 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3hrs s ILE 210 CO 0.20 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.25 3hrs s TYR 211 N 0.08 2.80 0.32 3.97 1.51 0.44 -0.82 117.35 125.66 3hrs s TYR 211 Ca -0.09 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 3hrs s TYR 211 Cb -0.15 -1.83 -0.06 0.00 -0.11 0.00 0.00 41.96 39.80 3hrs s TYR 211 CO 0.05 -0.20 0.01 0.14 -1.11 0.00 0.00 175.55 174.45 3hrs s VAL 212 N 0.31 1.46 -0.10 0.71 -7.23 0.46 -0.48 120.40 115.54 3hrs s VAL 212 Ca -0.10 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 3hrs s VAL 212 Cb -0.16 -2.72 0.05 0.00 0.56 0.00 0.00 36.38 34.12 3hrs s VAL 212 CO 0.06 -0.10 0.20 -1.61 -0.31 0.00 0.00 175.10 173.34 3hrs s GLU 213 N -3.81 0.10 -0.24 4.82 8.01 -0.83 -4.43 118.70 122.32 3hrs s GLU 213 Ca 0.34 0.60 -0.28 0.00 0.01 0.00 0.00 54.97 55.64 3hrs s GLU 213 Cb 0.07 -0.16 -0.04 0.00 -4.31 0.00 0.00 34.13 29.69 3hrs s GLU 213 CO 0.15 -0.27 1.97 0.21 0.01 0.00 0.00 175.26 177.33 3hrs s LYS 214 N 2.08 3.38 0.00 1.61 2.20 -1.26 -1.35 119.74 126.40 3hrs s LYS 214 Ca -0.00 1.82 0.28 0.00 -0.36 0.00 0.00 55.97 57.70 3hrs s LYS 214 Cb -0.12 -4.25 1.02 0.00 -1.51 0.00 0.00 37.83 32.97 3hrs s LYS 214 CO -0.07 -1.81 1.73 1.51 -0.36 0.00 0.00 175.35 176.34