#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrs n ASP 7 N 0.00 0.36 -0.11 4.31 8.00 -1.26 -1.45 116.55 126.39 3hrs n ASP 7 Ca 0.00 0.64 -0.11 0.00 0.71 0.00 0.00 54.79 56.03 3hrs n ASP 7 Cb 0.00 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.40 3hrs n ASP 7 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3hrs h TYR 8 N 0.00 0.71 -1.07 1.24 -1.99 -2.03 -3.16 116.97 110.67 3hrs h TYR 8 Ca 0.00 -0.15 0.29 0.00 2.00 0.00 0.00 58.73 60.87 3hrs h TYR 8 Cb 0.13 -0.17 -0.10 0.00 2.00 0.00 0.00 36.73 38.58 3hrs h TYR 8 CO 0.00 0.79 0.69 -0.07 -0.00 0.00 0.00 178.16 179.57 3hrs h LEU 9 N 0.42 0.43 -0.93 3.88 3.38 -1.70 0.46 115.31 121.24 3hrs h LEU 9 Ca 0.09 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3hrs h LEU 9 Cb 0.56 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3hrs h LEU 9 CO 0.03 0.05 0.61 0.11 0.09 0.00 0.00 178.44 179.33 3hrs h LYS 10 N 0.36 1.19 -0.03 1.13 1.57 -1.70 -2.12 116.57 116.96 3hrs h LYS 10 Ca 0.63 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 59.15 3hrs h LYS 10 Cb 1.64 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 3hrs h LYS 10 CO -0.33 0.78 -0.79 0.00 -0.57 0.00 0.00 179.45 178.54 3hrs h LEU 12 N 0.18 0.22 -1.19 0.00 4.07 -1.04 -2.22 115.31 115.33 3hrs h LEU 12 Ca -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 3hrs h LEU 12 Cb 1.38 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 43.05 3hrs h LEU 12 CO 0.13 0.16 0.28 0.22 -1.08 0.00 0.00 178.44 178.15 3hrs h TYR 13 N 0.29 0.84 0.89 1.13 5.03 -1.47 -1.57 116.97 122.11 3hrs h TYR 13 Ca 0.10 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.34 3hrs h TYR 13 Cb 0.01 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.03 3hrs h TYR 13 CO -0.08 0.62 -0.43 0.93 -1.32 0.00 0.00 178.16 177.88 3hrs h GLU 14 N 0.85 -1.15 0.00 1.82 4.39 -1.36 -2.82 114.58 116.31 3hrs h GLU 14 Ca 0.21 0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 3hrs h GLU 14 Cb 0.10 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3hrs h GLU 14 CO -0.03 -0.77 -0.02 1.37 -1.16 0.00 0.00 179.01 178.41 3hrs h LEU 15 N -1.32 0.00 -1.80 1.33 8.10 -1.39 0.93 115.31 121.15 3hrs h LEU 15 Ca -0.12 0.00 0.25 0.00 0.11 0.00 0.00 57.88 58.12 3hrs h LEU 15 Cb 0.92 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.09 3hrs h LEU 15 CO 0.20 0.02 0.65 1.23 -4.11 0.00 0.00 178.44 176.42 3hrs h GLY 16 N 0.05 0.37 -2.61 0.17 0.00 -1.03 0.23 103.07 100.24 3hrs h GLY 16 Ca -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 3hrs h GLY 16 CO 0.00 -0.02 0.12 2.41 0.00 0.00 0.00 176.54 179.05 3hrs n THR 17 N -4.37 1.67 0.00 4.70 -1.04 0.32 -2.73 114.28 112.83 3hrs n THR 17 Ca 0.20 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 3hrs n THR 17 Cb 0.90 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3hrs n THR 17 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hrs n ARG 18 N 0.54 2.97 -3.16 -2.82 1.74 0.07 -5.07 116.66 110.92 3hrs n ARG 18 Ca 0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 3hrs n ARG 18 Cb 0.63 -0.62 0.07 0.00 -1.02 0.00 0.00 32.46 31.52 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 -0.58 -2.24 0.00 -1.55 8.25 -1.10 -5.05 115.22 112.95 3hrs n HIS 19 Ca 0.00 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 3hrs n HIS 19 Cb 0.05 -4.19 0.00 0.00 1.12 0.00 0.00 29.99 26.97 3hrs n HIS 19 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hrs n ASN 20 N -3.08 0.00 -4.16 0.41 3.02 -1.26 -5.15 115.26 105.05 3hrs n ASN 20 Ca -0.11 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.18 3hrs n ASN 20 Cb 0.62 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.71 3hrs n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hrs s LYS 21 N 4.36 1.96 -0.30 3.52 1.02 -1.26 -4.72 119.74 124.33 3hrs s LYS 21 Ca 0.00 -2.20 0.01 0.00 0.02 0.00 0.00 55.97 53.79 3hrs s LYS 21 Cb 0.00 -0.68 0.06 0.00 -0.52 0.00 0.00 37.83 36.69 3hrs s LYS 21 CO 0.00 -0.48 -0.02 0.42 -0.92 0.00 0.00 175.35 174.35 3hrs s ILE 22 N -3.17 2.59 -0.17 2.17 -1.09 -1.19 -4.93 121.20 115.40 3hrs s ILE 22 Ca 0.22 -1.66 -0.11 0.00 -2.23 0.00 0.00 60.65 56.87 3hrs s ILE 22 Cb 0.02 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.28 3hrs s ILE 22 CO 0.14 -0.18 0.19 -0.89 -1.23 0.00 0.00 174.94 172.96 3hrs s THR 23 N 1.14 5.38 -1.92 2.92 2.01 -1.26 -4.82 115.64 119.09 3hrs s THR 23 Ca -0.04 0.32 0.13 0.00 0.31 0.00 0.00 61.69 62.41 3hrs s THR 23 Cb -0.20 -3.52 0.35 0.00 0.01 0.00 0.00 72.50 69.14 3hrs s THR 23 CO -0.04 0.46 1.21 0.59 -0.69 0.00 0.00 174.62 176.15 3hrs n ASN 24 N 3.25 0.00 -0.08 3.53 5.03 -1.26 -1.61 115.26 124.11 3hrs n ASN 24 Ca -0.15 -0.33 -0.10 0.00 0.87 0.00 0.00 54.58 54.86 3hrs n ASN 24 Cb 0.52 -0.04 -0.16 0.00 -1.02 0.00 0.00 39.78 39.09 3hrs n ASN 24 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3hrs n LYS 25 N -1.04 0.68 0.17 3.52 4.81 -1.26 -3.71 118.16 121.33 3hrs n LYS 25 Ca 0.09 0.06 0.13 0.00 -0.87 0.00 0.00 58.31 57.71 3hrs n LYS 25 Cb 0.05 -1.58 0.28 0.00 0.02 0.00 0.00 35.03 33.81 3hrs n LYS 25 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3hrs h GLU 26 N 0.00 0.00 0.20 1.64 5.08 -1.70 -3.06 114.58 116.74 3hrs h GLU 26 Ca -0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 3hrs h GLU 26 Cb 2.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.45 3hrs h GLU 26 CO 0.04 0.00 -0.10 0.82 -1.00 0.00 0.00 179.01 178.77 3hrs h ILE 27 N 0.00 0.20 0.00 3.13 2.04 -1.49 -2.57 117.51 118.81 3hrs h ILE 27 Ca 0.00 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 3hrs h ILE 27 Cb 0.87 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3hrs h ILE 27 CO 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 178.15 178.21 3hrs h ALA 28 N -0.92 1.12 0.00 1.87 0.00 -1.68 -3.07 119.26 116.57 3hrs h ALA 28 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hrs h ALA 28 Cb 0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hrs h ALA 28 CO 0.05 0.00 -0.24 1.96 0.00 0.00 0.00 179.25 181.01 3hrs h GLN 29 N 0.00 0.00 -0.44 0.00 4.20 -1.60 -2.98 115.11 114.29 3hrs h GLN 29 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hrs h GLN 29 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hrs h GLN 29 CO 0.00 0.26 0.00 1.28 -0.67 0.00 0.00 178.83 179.70 3hrs n LEU 30 N -4.68 0.44 0.00 1.46 4.32 -0.97 -2.82 117.00 114.75 3hrs n LEU 30 Ca -0.06 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.70 3hrs n LEU 30 Cb 0.21 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 3hrs n LEU 30 CO 0.10 0.11 0.02 0.23 -1.22 0.00 0.00 177.39 176.64 3hrs n MET 31 N -0.27 0.44 -3.59 3.23 2.81 -1.16 -5.04 117.12 113.53 3hrs n MET 31 Ca 0.00 -0.05 -0.27 0.00 -1.81 0.00 0.00 57.70 55.58 3hrs n MET 31 Cb 0.11 -0.37 0.03 0.00 -0.71 0.00 0.00 33.22 32.28 3hrs n MET 31 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3hrs n GLN 32 N -0.08 -5.34 -4.11 0.03 3.00 -1.13 -4.99 117.38 104.76 3hrs n GLN 32 Ca 0.00 0.67 -0.15 0.00 -0.01 0.00 0.00 57.00 57.51 3hrs n GLN 32 Cb 0.12 -5.54 -0.14 0.00 0.00 0.00 0.00 30.24 24.67 3hrs n GLN 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 3hrs s VAL 33 N -3.21 0.35 0.51 5.09 -7.23 -1.16 -5.07 120.40 109.69 3hrs s VAL 33 Ca 0.54 -0.25 -0.20 0.00 -1.81 0.00 0.00 61.98 60.25 3hrs s VAL 33 Cb -0.26 -0.31 -0.07 0.00 0.56 0.00 0.00 36.38 36.29 3hrs s VAL 33 CO 0.66 0.06 1.10 -0.55 -0.31 0.00 0.00 175.10 176.06 3hrs s SER 34 N -0.22 6.03 0.47 4.85 0.15 -1.26 -4.20 113.70 119.52 3hrs s SER 34 Ca 0.01 2.09 0.17 0.00 0.70 0.00 0.00 55.95 58.92 3hrs s SER 34 Cb -0.02 -2.58 0.94 0.00 -1.71 0.00 0.00 66.02 62.65 3hrs s SER 34 CO -0.00 -1.00 1.46 -0.65 1.20 0.00 0.00 173.24 174.24 3hrs h PRO 35 N 1.46 0.00 0.00 5.44 0.11 -1.92 -0.37 132.00 136.72 3hrs h PRO 35 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hrs h PRO 35 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hrs h PRO 35 CO 0.58 0.00 0.00 -2.30 -0.21 0.00 0.00 178.00 176.07 3hrs n PRO 36 N -2.36 0.17 -0.01 1.05 -0.02 -1.26 -1.96 135.00 130.61 3hrs n PRO 36 Ca -0.01 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 3hrs n PRO 36 Cb 0.42 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.84 3hrs n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrs n ALA 37 N -1.77 3.70 0.33 3.55 0.00 -0.15 -4.26 120.51 121.91 3hrs n ALA 37 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 3hrs n ALA 37 Cb 0.14 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 3hrs n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hrs h VAL 38 N 0.00 0.27 0.00 0.00 2.07 -1.48 -0.82 116.25 116.29 3hrs h VAL 38 Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3hrs h VAL 38 Cb 0.76 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3hrs h VAL 38 CO 0.00 0.03 -0.06 0.74 0.02 0.00 0.00 177.57 178.30 3hrs h THR 39 N -1.04 0.57 0.00 2.57 2.02 -1.76 -1.33 112.91 113.94 3hrs h THR 39 Ca -0.09 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3hrs h THR 39 Cb 0.69 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3hrs h THR 39 CO 0.14 0.05 -1.28 -0.62 0.37 0.00 0.00 175.52 174.19 3hrs n GLU 40 N -3.78 0.62 -0.05 6.66 -0.58 -1.20 -3.11 120.64 119.20 3hrs n GLU 40 Ca -0.02 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.63 3hrs n GLU 40 Cb 0.15 -1.75 -0.13 0.00 -0.57 0.00 0.00 31.44 29.14 3hrs n GLU 40 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3hrs h MET 41 N 0.00 0.04 -0.65 3.49 4.05 -0.46 -3.19 114.93 118.21 3hrs h MET 41 Ca -0.02 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3hrs h MET 41 Cb 1.07 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.85 3hrs h MET 41 CO 0.00 0.94 0.41 0.52 0.23 0.00 0.00 176.91 179.02 3hrs h MET 42 N -0.83 0.86 -0.07 0.39 2.86 -1.42 -1.49 114.93 115.23 3hrs h MET 42 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3hrs h MET 42 Cb 0.98 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 3hrs h MET 42 CO 0.02 0.58 0.01 -0.22 1.06 0.00 0.00 176.91 178.36 3hrs h LYS 43 N 0.88 0.11 -0.17 1.72 3.64 -1.67 -0.58 116.57 120.49 3hrs h LYS 43 Ca 0.23 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3hrs h LYS 43 Cb -0.08 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 3hrs h LYS 43 CO -0.05 0.33 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.05 3hrs h LYS 44 N -0.13 -0.23 -0.78 1.90 3.64 -1.47 -1.70 116.57 117.81 3hrs h LYS 44 Ca 0.02 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 3hrs h LYS 44 Cb 0.28 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.06 3hrs h LYS 44 CO 0.00 -0.15 0.37 -0.07 -2.27 0.00 0.00 179.45 177.33 3hrs h LEU 45 N -0.23 0.43 -0.61 5.20 4.07 -1.15 -1.70 115.31 121.31 3hrs h LEU 45 Ca 0.11 0.09 -0.12 0.00 0.08 0.00 0.00 57.88 58.04 3hrs h LEU 45 Cb 0.40 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 3hrs h LEU 45 CO -0.31 0.20 -0.19 0.25 -1.08 0.00 0.00 178.44 177.32 3hrs h LEU 46 N 0.56 0.92 0.00 1.67 7.12 -0.37 -0.69 115.31 124.51 3hrs h LEU 46 Ca 0.41 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 58.10 3hrs h LEU 46 Cb 0.55 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 3hrs h LEU 46 CO -0.34 1.08 -0.16 0.00 -0.13 0.00 0.00 178.44 178.88 3hrs n ALA 47 N -2.50 2.59 -1.43 1.25 0.00 -0.71 -2.90 120.51 116.80 3hrs n ALA 47 Ca 0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 3hrs n ALA 47 Cb 0.43 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.65 3hrs n ALA 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hrs n GLU 48 N -1.81 2.38 -3.69 0.00 1.02 -0.69 -4.95 120.64 112.90 3hrs n GLU 48 Ca 0.06 -3.28 -0.25 0.00 -0.02 0.00 0.00 57.16 53.67 3hrs n GLU 48 Cb 0.38 -2.10 -0.04 0.00 -0.02 0.00 0.00 31.44 29.66 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 -1.04 -1.81 -0.04 3.49 4.71 -1.14 -4.77 120.64 120.04 3hrs n GLU 49 Ca 0.50 0.12 -0.09 0.00 -0.01 0.00 0.00 57.16 57.68 3hrs n GLU 49 Cb 1.14 -4.68 -0.14 0.00 -1.01 0.00 0.00 31.44 26.74 3hrs n GLU 49 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hrs n LEU 50 N -3.46 0.76 -4.09 -4.62 4.77 -0.28 -4.52 117.00 105.56 3hrs n LEU 50 Ca 0.06 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 3hrs n LEU 50 Cb 0.48 0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 3hrs n LEU 50 CO 0.57 0.42 -0.05 -1.48 -1.33 0.00 0.00 177.39 175.52 3hrs s LEU 51 N -6.00 0.82 0.11 2.23 2.34 -1.20 -1.29 118.68 115.68 3hrs s LEU 51 Ca -0.06 -1.15 0.04 0.00 0.06 0.00 0.00 54.13 53.02 3hrs s LEU 51 Cb 0.08 1.01 -0.04 0.00 -0.56 0.00 0.00 46.19 46.68 3hrs s LEU 51 CO 0.82 -0.96 -0.10 0.27 -1.06 0.00 0.00 176.35 175.32 3hrs s ILE 52 N -4.08 0.99 -0.16 1.48 -4.36 0.19 -4.51 121.20 110.75 3hrs s ILE 52 Ca 0.30 -1.73 -0.23 0.00 -0.26 0.00 0.00 60.65 58.73 3hrs s ILE 52 Cb 0.04 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 3hrs s ILE 52 CO 0.09 -0.60 0.70 -1.59 0.24 0.00 0.00 174.94 173.79 3hrs s LYS 53 N -3.00 4.28 -0.11 0.37 -2.85 -1.26 -1.50 119.74 115.67 3hrs s LYS 53 Ca 0.08 0.78 0.00 0.00 -1.00 0.00 0.00 55.97 55.83 3hrs s LYS 53 Cb -0.02 -3.55 -0.02 0.00 -2.06 0.00 0.00 37.83 32.18 3hrs s LYS 53 CO 0.00 -0.21 -0.10 0.34 0.10 0.00 0.00 175.35 175.48 3hrs s ASP 54 N 1.10 4.30 0.09 0.03 3.68 -0.88 -4.92 116.67 120.06 3hrs s ASP 54 Ca 0.33 -0.20 -0.21 0.00 2.13 0.00 0.00 52.55 54.60 3hrs s ASP 54 Cb -0.16 -1.40 -0.11 0.00 -1.45 0.00 0.00 42.92 39.80 3hrs s ASP 54 CO 0.12 0.24 1.65 0.07 0.13 0.00 0.00 175.17 177.38 3hrs h LYS 55 N 6.13 0.19 0.06 4.34 2.10 -1.97 0.29 116.57 127.71 3hrs h LYS 55 Ca -0.35 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3hrs h LYS 55 Cb 1.19 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3hrs h LYS 55 CO 0.55 0.25 -0.03 -0.22 -2.00 0.00 0.00 179.45 178.01 3hrs h LYS 56 N 0.09 -0.07 -0.01 0.07 3.64 -1.99 -3.30 116.57 114.99 3hrs h LYS 56 Ca 0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hrs h LYS 56 Cb 0.13 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hrs h LYS 56 CO -0.01 0.32 -0.30 0.00 -2.27 0.00 0.00 179.45 177.19 3hrs n ALA 57 N -2.34 3.19 0.00 5.00 0.00 -1.24 -4.79 120.51 120.32 3hrs n ALA 57 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3hrs n ALA 57 Cb 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.36 2.17 3.02 0.00 0.00 0.10 -3.18 105.19 108.67 3hrs n GLY 58 Ca 0.12 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 0.80 -0.01 1.61 4.12 -1.26 -2.07 117.35 120.54 3hrs s TYR 59 Ca 0.00 -0.16 0.06 0.00 0.02 0.00 0.00 57.07 56.99 3hrs s TYR 59 Cb 0.00 -0.51 -0.02 0.00 -1.52 0.00 0.00 41.96 39.91 3hrs s TYR 59 CO 0.00 -0.01 -0.19 -0.51 0.02 0.00 0.00 175.55 174.86 3hrs s LEU 60 N -0.27 2.05 0.24 -1.29 1.43 -0.56 -4.84 118.68 115.44 3hrs s LEU 60 Ca 0.03 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.49 3hrs s LEU 60 Cb -0.04 -0.96 -0.09 0.00 0.03 0.00 0.00 46.19 45.13 3hrs s LEU 60 CO -0.00 0.22 0.89 -0.76 0.23 0.00 0.00 176.35 176.93 3hrs s LEU 61 N -0.53 4.55 1.01 1.79 1.43 -1.26 -0.64 118.68 125.03 3hrs s LEU 61 Ca 0.07 1.82 -0.16 0.00 -1.03 0.00 0.00 54.13 54.83 3hrs s LEU 61 Cb -0.07 -3.62 0.21 0.00 0.03 0.00 0.00 46.19 42.73 3hrs s LEU 61 CO -0.00 0.11 1.24 0.42 0.23 0.00 0.00 176.35 178.35 3hrs s THR 62 N -1.29 1.90 0.29 5.49 -4.23 -0.41 -4.76 115.64 112.63 3hrs s THR 62 Ca 0.42 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 3hrs s THR 62 Cb -0.23 -2.85 0.22 0.00 1.34 0.00 0.00 72.50 70.98 3hrs s THR 62 CO 0.28 0.00 1.92 -0.78 -0.54 0.00 0.00 174.62 175.50 3hrs h ASP 63 N -1.83 0.87 -0.67 3.99 1.82 -1.88 -0.21 116.42 118.51 3hrs h ASP 63 Ca -0.45 -0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.14 3hrs h ASP 63 Cb 1.26 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 41.01 3hrs h ASP 63 CO 0.41 0.71 0.42 0.25 -1.61 0.00 0.00 179.24 179.42 3hrs h LEU 64 N 0.98 0.70 -0.60 2.28 5.85 -1.87 0.01 115.31 122.67 3hrs h LEU 64 Ca 0.25 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3hrs h LEU 64 Cb 0.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3hrs h LEU 64 CO -0.04 0.49 0.08 1.23 -0.34 0.00 0.00 178.44 179.86 3hrs h GLY 65 N 0.83 1.08 1.52 3.75 0.00 -1.34 -1.80 103.07 107.11 3hrs h GLY 65 Ca 0.26 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3hrs h GLY 65 CO -0.09 0.68 -0.34 1.41 0.00 0.00 0.00 176.54 178.20 3hrs h LEU 66 N 0.90 0.56 -0.72 3.11 3.38 -0.57 0.47 115.31 122.44 3hrs h LEU 66 Ca 0.18 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3hrs h LEU 66 Cb 0.44 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hrs h LEU 66 CO 0.01 0.85 0.09 0.11 0.09 0.00 0.00 178.44 179.60 3hrs h LYS 67 N 0.46 1.07 0.67 1.13 1.79 -0.97 0.17 116.57 120.89 3hrs h LYS 67 Ca 0.05 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 3hrs h LYS 67 Cb 0.80 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.34 3hrs h LYS 67 CO 0.07 0.99 -0.32 1.25 -1.08 0.00 0.00 179.45 180.36 3hrs h LEU 68 N 1.00 -0.76 -1.46 2.94 6.46 -0.97 -2.17 115.31 120.35 3hrs h LEU 68 Ca 0.20 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.16 3hrs h LEU 68 Cb 0.45 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.52 3hrs h LEU 68 CO 0.02 -0.47 0.57 0.58 -0.62 0.00 0.00 178.44 178.51 3hrs h VAL 69 N -1.05 0.75 -0.28 1.05 2.07 -0.92 -0.49 116.25 117.38 3hrs h VAL 69 Ca -0.09 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3hrs h VAL 69 Cb 0.69 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3hrs h VAL 69 CO 0.15 0.09 -0.18 -1.28 0.02 0.00 0.00 177.57 176.37 3hrs h SER 70 N 0.49 0.50 -0.43 0.57 0.87 -0.60 -2.38 113.55 112.57 3hrs h SER 70 Ca 0.44 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.71 3hrs h SER 70 Cb 0.97 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 3hrs h SER 70 CO -0.17 0.70 -0.29 -0.78 -0.53 0.00 0.00 176.83 175.75 3hrs h ASP 71 N 0.46 1.00 -0.13 6.23 1.82 -0.43 -2.11 116.42 123.25 3hrs h ASP 71 Ca 0.08 -0.43 0.03 0.00 -0.39 0.00 0.00 57.03 56.32 3hrs h ASP 71 Cb 0.58 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 3hrs h ASP 71 CO 0.04 1.21 -0.06 -0.07 -1.61 0.00 0.00 179.24 178.75 3hrs h LEU 72 N 0.79 -0.20 -0.80 2.28 3.38 -1.22 -1.08 115.31 118.46 3hrs h LEU 72 Ca 0.09 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hrs h LEU 72 Cb 0.88 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3hrs h LEU 72 CO 0.08 -0.08 0.53 1.88 0.09 0.00 0.00 178.44 180.94 3hrs h TYR 73 N -0.05 1.00 0.34 1.13 0.99 -1.32 -0.72 116.97 118.34 3hrs h TYR 73 Ca 0.07 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 3hrs h TYR 73 Cb 0.15 -0.34 -0.02 0.00 1.00 0.00 0.00 36.73 37.53 3hrs h TYR 73 CO -0.19 0.63 -0.32 -0.09 -0.00 0.00 0.00 178.16 178.18 3hrs h ARG 74 N 1.08 -0.66 -0.50 4.88 2.43 -1.09 0.49 114.38 121.02 3hrs h ARG 74 Ca 0.30 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.61 3hrs h ARG 74 Cb -0.11 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 3hrs h ARG 74 CO -0.07 -0.44 -0.07 -0.22 -1.51 0.00 0.00 179.97 177.66 3hrs h LYS 75 N -0.68 0.05 -0.10 0.20 3.64 -1.04 -1.18 116.57 117.46 3hrs h LYS 75 Ca -0.02 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3hrs h LYS 75 Cb 0.62 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3hrs h LYS 75 CO -0.05 0.03 -0.30 1.25 -2.27 0.00 0.00 179.45 178.11 3hrs h HIS 76 N 0.05 0.22 0.11 1.91 2.76 -0.53 -2.72 115.15 116.95 3hrs h HIS 76 Ca 0.25 -0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 58.17 3hrs h HIS 76 Cb 0.38 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.29 3hrs h HIS 76 CO -0.37 0.48 -1.00 0.00 -1.30 0.00 0.00 177.93 175.74 3hrs h ARG 77 N 0.17 0.24 -0.30 5.26 3.08 0.79 -2.76 114.38 120.86 3hrs h ARG 77 Ca 0.02 -0.41 0.07 0.00 0.07 0.00 0.00 59.98 59.73 3hrs h ARG 77 Cb 0.62 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 3hrs h ARG 77 CO 0.05 1.19 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.94 3hrs h LEU 78 N -0.43 -0.46 -0.72 3.04 3.38 -1.31 -1.33 115.31 117.49 3hrs h LEU 78 Ca -0.20 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.02 3hrs h LEU 78 Cb 1.62 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 42.53 3hrs h LEU 78 CO 0.08 -0.17 0.24 0.40 0.09 0.00 0.00 178.44 179.08 3hrs h ILE 79 N -0.09 0.62 -0.23 1.22 1.08 -1.57 0.05 117.51 118.60 3hrs h ILE 79 Ca 0.15 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.55 3hrs h ILE 79 Cb 0.32 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 3hrs h ILE 79 CO -0.36 0.07 -0.15 -0.08 -0.69 0.00 0.00 178.15 176.94 3hrs h GLU 80 N 0.37 -0.13 -0.14 2.37 4.57 -1.04 0.11 114.58 120.70 3hrs h GLU 80 Ca 0.39 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.62 3hrs h GLU 80 Cb 0.61 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 3hrs h GLU 80 CO -0.42 -0.09 -0.09 0.28 -1.18 0.00 0.00 179.01 177.51 3hrs h VAL 81 N -0.13 0.72 0.42 0.32 2.07 -0.06 0.22 116.25 119.81 3hrs h VAL 81 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3hrs h VAL 81 Cb 0.33 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3hrs h VAL 81 CO -0.31 0.00 -0.29 0.15 0.02 0.00 0.00 177.57 177.13 3hrs h PHE 82 N -0.10 -0.78 -0.85 1.57 3.57 -0.76 0.19 116.94 119.79 3hrs h PHE 82 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3hrs h PHE 82 Cb 0.22 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 3hrs h PHE 82 CO -0.23 -0.44 0.56 -0.07 -2.23 0.00 0.00 178.31 175.90 3hrs h LEU 83 N -0.70 0.98 0.01 0.59 3.38 -0.56 0.50 115.31 119.51 3hrs h LEU 83 Ca -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hrs h LEU 83 Cb 0.59 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hrs h LEU 83 CO 0.02 0.71 -0.01 0.58 0.09 0.00 0.00 178.44 179.83 3hrs h VAL 84 N 1.15 0.22 -0.71 1.22 2.07 -0.40 -0.09 116.25 119.71 3hrs h VAL 84 Ca 0.31 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3hrs h VAL 84 Cb -0.13 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3hrs h VAL 84 CO -0.07 0.07 0.25 0.45 0.02 0.00 0.00 177.57 178.30 3hrs h HIS 85 N -1.00 1.11 0.00 1.57 3.86 -0.70 -3.12 115.15 116.87 3hrs h HIS 85 Ca -0.00 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 3hrs h HIS 85 Cb 0.13 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 3hrs h HIS 85 CO 0.03 0.87 -1.48 0.72 0.86 0.00 0.00 177.93 178.94 3hrs n HIS 86 N -4.33 0.00 -0.10 2.45 8.25 0.12 -4.46 115.22 117.15 3hrs n HIS 86 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 3hrs n HIS 86 Cb 0.20 -0.31 0.27 0.00 1.12 0.00 0.00 29.99 31.27 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 -2.10 3.71 -1.22 2.41 4.77 -0.91 -4.96 117.00 118.69 3hrs n LEU 87 Ca -0.09 -1.80 -0.15 0.00 -0.03 0.00 0.00 56.01 53.94 3hrs n LEU 87 Cb 0.56 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3hrs n LEU 87 CO 0.17 0.88 -0.15 0.61 -1.33 0.00 0.00 177.39 177.57 3hrs n GLY 88 N 1.52 1.47 3.55 -0.72 0.00 -0.94 -4.94 105.19 105.13 3hrs n GLY 88 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.23 0.39 -3.62 1.61 4.02 -0.09 -4.98 117.16 112.26 3hrs n TYR 89 Ca -0.15 0.53 -0.21 0.00 -0.01 0.00 0.00 57.90 58.06 3hrs n TYR 89 Cb 0.62 -2.11 -0.03 0.00 -0.02 0.00 0.00 39.34 37.80 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 -1.44 3.06 0.27 -0.72 -4.23 -1.26 -4.60 115.64 106.72 3hrs s THR 90 Ca 0.66 -1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 3hrs s THR 90 Cb -0.53 -3.08 0.28 0.00 1.34 0.00 0.00 72.50 70.51 3hrs s THR 90 CO 0.55 -0.07 1.67 0.71 -0.54 0.00 0.00 174.62 176.93 3hrs h THR 91 N 1.09 0.41 -0.42 3.99 1.35 -1.98 0.40 112.91 117.73 3hrs h THR 91 Ca -0.43 -0.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3hrs h THR 91 Cb 1.26 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 3hrs h THR 91 CO 0.57 0.05 0.26 -0.08 -0.25 0.00 0.00 175.52 176.06 3hrs h GLU 92 N 0.25 0.57 -0.19 4.72 4.22 -1.98 -0.95 114.58 121.21 3hrs h GLU 92 Ca 0.50 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.86 3hrs h GLU 92 Cb 0.94 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3hrs h GLU 92 CO -0.59 0.41 0.01 0.93 -2.18 0.00 0.00 179.01 177.60 3hrs h GLU 93 N 0.56 0.33 -0.82 1.92 5.08 -0.70 -0.20 114.58 120.73 3hrs h GLU 93 Ca 0.15 -0.10 0.17 0.00 -1.00 0.00 0.00 59.36 58.58 3hrs h GLU 93 Cb -0.01 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 3hrs h GLU 93 CO -0.03 0.51 0.54 0.82 -1.00 0.00 0.00 179.01 179.85 3hrs h ILE 94 N 0.10 0.76 -0.31 3.13 2.04 -0.90 -1.40 117.51 120.93 3hrs h ILE 94 Ca 0.06 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3hrs h ILE 94 Cb 0.35 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3hrs h ILE 94 CO 0.01 0.08 0.20 -0.74 0.00 0.00 0.00 178.15 177.70 3hrs h HIS 95 N 0.45 0.40 0.38 1.37 2.76 0.39 -1.93 115.15 118.97 3hrs h HIS 95 Ca 0.41 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 3hrs h HIS 95 Cb 0.94 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.77 3hrs h HIS 95 CO -0.00 0.27 -0.18 0.93 -1.30 0.00 0.00 177.93 177.64 3hrs h GLU 96 N 0.42 -0.50 0.00 5.26 5.08 -0.65 -3.41 114.58 120.78 3hrs h GLU 96 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hrs h GLU 96 Cb -0.03 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hrs h GLU 96 CO -0.02 -0.33 -1.13 -0.85 -1.00 0.00 0.00 179.01 175.67 3hrs n GLU 97 N -3.52 0.22 -0.06 2.33 0.28 -0.70 -4.58 120.64 114.61 3hrs n GLU 97 Ca -0.06 -0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.76 3hrs n GLU 97 Cb 0.20 -1.54 -0.10 0.00 1.43 0.00 0.00 31.44 31.44 3hrs n GLU 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hrs h ALA 98 N 2.65 -0.83 0.00 -1.84 0.00 -1.54 -2.57 119.26 115.13 3hrs h ALA 98 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hrs h ALA 98 Cb 0.67 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hrs h ALA 98 CO 0.00 -1.05 0.00 1.05 0.00 0.00 0.00 179.25 179.25 3hrs h GLU 99 N -0.49 0.00 0.32 0.00 4.11 -1.81 -2.41 114.58 114.31 3hrs h GLU 99 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 3hrs h GLU 99 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hrs h GLU 99 CO -0.48 0.00 -0.15 -0.39 0.07 0.00 0.00 179.01 178.06 3hrs h VAL 100 N 0.00 0.00 0.00 -1.06 -1.51 -1.75 -2.29 116.25 109.64 3hrs h VAL 100 Ca 0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3hrs h VAL 100 Cb 0.52 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 3hrs h VAL 100 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 177.57 176.51 3hrs h LEU 101 N -1.09 0.00 -1.42 4.19 -0.00 -1.57 0.46 115.31 115.89 3hrs h LEU 101 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.78 3hrs h LEU 101 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 3hrs h LEU 101 CO 0.07 0.00 -0.29 -0.08 -0.00 0.00 0.00 178.44 178.14 3hrs h GLU 102 N 0.00 0.00 -0.41 0.17 4.81 -1.44 -1.06 114.58 116.65 3hrs h GLU 102 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hrs h GLU 102 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3hrs h GLU 102 CO 0.00 0.29 0.00 0.72 -0.73 0.00 0.00 179.01 179.29 3hrs n HIS 103 N -3.95 0.53 -0.00 0.92 8.25 0.16 -4.46 115.22 116.68 3hrs n HIS 103 Ca -0.02 -0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.17 3hrs n HIS 103 Cb 0.36 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 1.28 0.04 -1.71 1.59 -1.04 -0.89 -5.04 114.28 108.51 3hrs n THR 104 Ca 0.19 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.76 3hrs n THR 104 Cb 0.55 -0.69 -0.01 0.00 -1.82 0.00 0.00 70.33 68.36 3hrs n THR 104 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3hrs n VAL 105 N -2.61 1.94 -1.77 12.58 0.24 -0.44 -4.98 118.33 123.30 3hrs n VAL 105 Ca -0.01 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.34 61.51 3hrs n VAL 105 Cb 0.51 -1.62 0.08 0.00 -1.47 0.00 0.00 33.84 31.35 3hrs n VAL 105 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3hrs s SER 106 N -0.25 4.66 0.38 -1.34 1.04 -1.26 -4.93 113.70 111.99 3hrs s SER 106 Ca 0.56 1.03 0.06 0.00 0.48 0.00 0.00 55.95 58.08 3hrs s SER 106 Cb -0.56 -1.69 0.74 0.00 0.10 0.00 0.00 66.02 64.61 3hrs s SER 106 CO 0.62 -1.83 1.97 0.44 0.98 0.00 0.00 173.24 175.42 3hrs h ASP 107 N -1.00 0.48 0.19 7.02 3.45 -1.99 -2.40 116.42 122.17 3hrs h ASP 107 Ca -0.47 -0.05 0.01 0.00 0.43 0.00 0.00 57.03 56.96 3hrs h ASP 107 Cb 1.29 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.91 3hrs h ASP 107 CO 0.63 0.44 -0.34 -0.74 -1.57 0.00 0.00 179.24 177.67 3hrs h HIS 108 N 0.53 -0.93 -0.83 4.55 2.76 -1.99 0.80 115.15 120.04 3hrs h HIS 108 Ca 0.13 0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.51 3hrs h HIS 108 Cb 0.13 0.38 -0.12 0.00 1.55 0.00 0.00 27.41 29.35 3hrs h HIS 108 CO 0.01 -0.46 0.30 0.35 -1.30 0.00 0.00 177.93 176.83 3hrs h PHE 109 N -0.61 0.50 -0.07 5.26 3.57 -1.81 0.03 116.94 123.81 3hrs h PHE 109 Ca 0.01 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 3hrs h PHE 109 Cb 0.61 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3hrs h PHE 109 CO -0.27 -0.05 -0.81 0.28 -2.23 0.00 0.00 178.31 175.23 3hrs h VAL 110 N 0.36 1.36 -0.21 1.41 2.07 -0.96 0.11 116.25 120.39 3hrs h VAL 110 Ca 0.49 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.84 3hrs h VAL 110 Cb 0.89 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3hrs h VAL 110 CO -0.51 0.67 0.06 -0.33 0.02 0.00 0.00 177.57 177.47 3hrs h GLU 111 N 0.32 0.15 -0.15 1.57 3.07 0.57 -1.67 114.58 118.45 3hrs h GLU 111 Ca -0.05 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.68 3hrs h GLU 111 Cb 1.42 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 3hrs h GLU 111 CO 0.15 0.10 -0.43 0.00 -1.40 0.00 0.00 179.01 177.42 3hrs h ARG 112 N 0.15 0.35 -0.75 2.33 2.47 -0.51 -1.74 114.38 116.69 3hrs h ARG 112 Ca 0.09 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 3hrs h ARG 112 Cb 0.07 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 3hrs h ARG 112 CO -0.11 0.72 0.33 1.25 0.56 0.00 0.00 179.97 182.73 3hrs h LEU 113 N 0.29 1.00 -0.51 3.04 6.46 -0.64 -0.21 115.31 124.74 3hrs h LEU 113 Ca 0.02 -0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.70 3hrs h LEU 113 Cb 0.88 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 3hrs h LEU 113 CO 0.07 0.88 0.18 -0.78 -0.62 0.00 0.00 178.44 178.16 3hrs h ASP 114 N 1.06 0.17 -0.03 1.25 1.82 -0.42 -0.86 116.42 119.41 3hrs h ASP 114 Ca 0.25 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.95 3hrs h ASP 114 Cb 0.16 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 3hrs h ASP 114 CO -0.03 0.12 0.00 -0.61 -1.61 0.00 0.00 179.24 177.12 3hrs h GLN 115 N 0.35 0.06 -0.74 0.28 4.15 -0.91 0.35 115.11 118.64 3hrs h GLN 115 Ca 0.24 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.76 3hrs h GLN 115 Cb 0.27 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 3hrs h GLN 115 CO -0.25 0.31 0.49 1.25 -1.93 0.00 0.00 178.83 178.70 3hrs h LEU 116 N -0.21 0.52 -1.09 -2.39 5.85 -0.62 0.64 115.31 118.02 3hrs h LEU 116 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hrs h LEU 116 Cb 0.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3hrs h LEU 116 CO 0.00 0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.58 3hrs n LEU 117 N -4.49 1.62 -2.17 2.25 4.77 -0.37 -4.91 117.00 113.69 3hrs n LEU 117 Ca 0.13 -0.71 -0.18 0.00 -0.03 0.00 0.00 56.01 55.22 3hrs n LEU 117 Cb 0.39 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3hrs n LEU 117 CO 0.33 0.35 -0.15 -0.67 -1.33 0.00 0.00 177.39 175.92 3hrs n ASP 118 N 0.31 -5.20 -2.29 -1.43 2.03 0.22 -3.87 116.55 106.32 3hrs n ASP 118 Ca 0.15 -0.09 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 3hrs n ASP 118 Cb 0.31 -4.20 0.05 0.00 -0.72 0.00 0.00 41.12 36.56 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 -4.12 -1.25 -1.49 -0.67 4.02 0.07 -4.93 117.16 108.80 3hrs n TYR 119 Ca -0.17 0.52 -0.37 0.00 -0.01 0.00 0.00 57.90 57.87 3hrs n TYR 119 Cb 0.64 -3.59 0.06 0.00 -0.02 0.00 0.00 39.34 36.43 3hrs n TYR 119 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3hrs n PRO 120 N -2.74 0.65 0.02 -0.72 -0.04 -1.25 -4.91 135.00 126.01 3hrs n PRO 120 Ca -0.13 0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 3hrs n PRO 120 Cb 0.58 -2.09 0.08 0.00 -0.04 0.00 0.00 33.50 32.03 3hrs n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hrs n LYS 121 N -1.13 0.17 -3.69 0.54 5.02 -1.26 -4.81 118.16 113.01 3hrs n LYS 121 Ca 0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 3hrs n LYS 121 Cb 0.48 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 -3.12 -0.80 0.51 7.82 0.00 -1.26 -2.67 121.76 122.24 3hrs s ALA 122 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3hrs s ALA 122 Cb 0.15 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.99 3hrs s ALA 122 CO 0.78 -0.65 0.73 0.00 0.00 0.00 0.00 175.76 176.61 3hrs n PRO 124 N -2.22 0.03 -0.42 0.00 -0.02 -1.26 -1.71 135.00 129.40 3hrs n PRO 124 Ca 0.06 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3hrs n PRO 124 Cb 0.59 -1.71 0.25 0.00 -0.02 0.00 0.00 33.50 32.61 3hrs n PRO 124 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hrs n HIS 125 N -1.58 0.94 0.00 6.00 8.25 -1.26 -4.83 115.22 122.75 3hrs n HIS 125 Ca -0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 3hrs n HIS 125 Cb 0.12 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 0.05 2.41 3.48 -1.41 0.00 -0.69 -1.68 105.19 107.34 3hrs n GLY 126 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.40 3.85 -0.02 0.00 -1.26 -4.74 105.19 99.63 3hrs n GLY 127 Ca 0.00 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3hrs n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrs s THR 128 N -1.74 5.26 -0.34 2.61 2.01 -1.26 -2.22 115.64 119.96 3hrs s THR 128 Ca 0.69 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.58 3hrs s THR 128 Cb -0.42 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 68.77 3hrs s THR 128 CO 0.54 0.50 0.12 -0.63 -0.69 0.00 0.00 174.62 174.46 3hrs s ILE 129 N -1.12 4.00 0.36 1.82 1.01 -1.09 -4.89 121.20 121.29 3hrs s ILE 129 Ca 0.19 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 3hrs s ILE 129 Cb -0.12 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.05 3hrs s ILE 129 CO 0.09 -0.13 1.24 -2.84 0.00 0.00 0.00 174.94 173.31 3hrs s PRO 130 N 1.46 4.20 0.87 2.79 0.02 -1.26 -4.93 135.00 138.15 3hrs s PRO 130 Ca 0.00 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 3hrs s PRO 130 Cb -0.19 -2.89 0.12 0.00 0.02 0.00 0.00 34.50 31.56 3hrs s PRO 130 CO 0.04 -0.26 1.16 0.00 -0.33 0.00 0.00 177.00 177.61 3hrs s ALA 131 N -1.25 1.64 0.11 -1.55 0.00 -1.26 -4.86 121.76 114.59 3hrs s ALA 131 Ca 0.53 0.66 -0.36 0.00 0.00 0.00 0.00 51.96 52.79 3hrs s ALA 131 Cb -0.36 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.15 3hrs s ALA 131 CO 0.46 -2.55 1.44 1.17 0.00 0.00 0.00 175.76 176.28 3hrs n LYS 132 N -3.88 1.55 -1.16 0.00 4.81 -1.26 -1.39 118.16 116.83 3hrs n LYS 132 Ca 0.12 0.56 -0.06 0.00 -0.87 0.00 0.00 58.31 58.07 3hrs n LYS 132 Cb 0.52 -2.25 -0.02 0.00 0.02 0.00 0.00 35.03 33.29 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 2.89 0.55 0.00 3.14 0.00 -1.26 -4.96 105.19 105.55 3hrs n GLY 133 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hrs n GLY 133 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hrs n GLU 134 N -0.09 2.02 -4.49 1.61 2.13 -0.49 -5.03 120.64 116.31 3hrs n GLU 134 Ca -0.06 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.52 3hrs n GLU 134 Cb 0.52 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.10 3hrs n GLU 134 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3hrs s LEU 135 N 0.00 2.22 -0.47 4.31 2.96 -1.26 -4.71 118.68 121.73 3hrs s LEU 135 Ca 0.00 -0.59 -0.27 0.00 -0.22 0.00 0.00 54.13 53.05 3hrs s LEU 135 Cb 0.00 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.79 3hrs s LEU 135 CO 0.00 0.12 1.01 -0.22 -1.32 0.00 0.00 176.35 175.93 3hrs s LEU 136 N -1.48 3.86 -0.28 -0.68 2.96 -1.26 -4.81 118.68 117.00 3hrs s LEU 136 Ca 0.07 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3hrs s LEU 136 Cb -0.09 -3.33 0.08 0.00 0.50 0.00 0.00 46.19 43.34 3hrs s LEU 136 CO 0.03 -1.13 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.23 3hrs s VAL 137 N 4.02 1.75 0.15 1.68 1.01 -1.26 -5.09 120.40 122.67 3hrs s VAL 137 Ca 0.41 -1.63 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 3hrs s VAL 137 Cb -0.09 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.09 3hrs s VAL 137 CO 0.28 -0.31 1.54 -1.61 0.00 0.00 0.00 175.10 175.00 3hrs s GLU 138 N 1.24 4.23 0.13 2.72 0.41 -1.26 -4.93 118.70 121.24 3hrs s GLU 138 Ca 0.00 2.31 -0.16 0.00 -0.41 0.00 0.00 54.97 56.71 3hrs s GLU 138 Cb -0.19 -3.19 -0.01 0.00 -1.78 0.00 0.00 34.13 28.97 3hrs s GLU 138 CO -0.09 -0.58 1.64 -0.22 -0.49 0.00 0.00 175.26 175.52 3hrs h LYS 139 N 6.85 0.63 -4.85 1.61 3.64 -1.95 -3.41 116.57 119.09 3hrs h LYS 139 Ca -0.42 -0.15 -0.67 0.00 -1.27 0.00 0.00 60.65 58.14 3hrs h LYS 139 Cb 1.21 -0.09 -0.25 0.00 -0.41 0.00 0.00 32.23 32.69 3hrs h LYS 139 CO 0.91 0.65 -0.62 -1.01 -2.27 0.00 0.00 179.45 177.10 3hrs s HIS 140 N -5.34 3.12 0.00 1.91 3.76 -1.26 -4.93 115.29 112.55 3hrs s HIS 140 Ca -0.13 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 3hrs s HIS 140 Cb 0.10 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3hrs s HIS 140 CO 0.77 -0.49 0.26 1.63 -0.85 0.00 0.00 174.74 176.06 3hrs n LYS 141 N 4.90 0.75 -2.96 1.40 5.02 -1.26 -4.95 118.16 121.07 3hrs n LYS 141 Ca -0.15 -0.26 -0.44 0.00 -2.02 0.00 0.00 58.31 55.44 3hrs n LYS 141 Cb 0.49 -0.73 -0.03 0.00 -0.02 0.00 0.00 35.03 34.74 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 -0.37 5.00 0.78 -0.35 1.98 -1.26 -5.01 118.68 119.45 3hrs s LEU 142 Ca 0.00 -1.66 -0.11 0.00 -2.89 0.00 0.00 54.13 49.46 3hrs s LEU 142 Cb 0.00 -2.38 0.06 0.00 0.66 0.00 0.00 46.19 44.54 3hrs s LEU 142 CO 0.00 -1.16 1.12 0.42 -1.89 0.00 0.00 176.35 174.83 3hrs s THR 143 N 2.97 2.97 0.13 3.68 -4.23 -1.26 -0.27 115.64 119.62 3hrs s THR 143 Ca 0.25 0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 60.92 3hrs s THR 143 Cb -0.12 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3hrs s THR 143 CO -0.01 -0.38 1.78 0.25 -0.54 0.00 0.00 174.62 175.73 3hrs h LEU 144 N -1.03 0.27 -0.66 4.79 5.85 -1.13 -1.13 115.31 122.28 3hrs h LEU 144 Ca -0.44 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.41 3hrs h LEU 144 Cb 1.25 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 3hrs h LEU 144 CO 0.50 0.20 0.03 -0.08 -0.34 0.00 0.00 178.44 178.74 3hrs h GLU 145 N 0.33 0.13 0.00 1.25 4.81 -1.76 -1.55 114.58 117.80 3hrs h GLU 145 Ca 0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3hrs h GLU 145 Cb -0.03 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3hrs h GLU 145 CO -0.02 0.09 -0.12 1.49 -0.73 0.00 0.00 179.01 179.72 3hrs h GLU 146 N 0.14 0.00 -6.41 1.92 4.81 -1.54 -3.44 114.58 110.06 3hrs h GLU 146 Ca 0.35 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 59.05 3hrs h GLU 146 Cb 0.58 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3hrs h GLU 146 CO -0.55 0.12 0.28 0.00 -0.73 0.00 0.00 179.01 178.13 3hrs s ALA 147 N -4.10 3.27 -0.16 2.92 0.00 -0.58 -4.93 121.76 118.17 3hrs s ALA 147 Ca -0.02 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 3hrs s ALA 147 Cb 0.13 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 3hrs s ALA 147 CO 0.58 -0.05 -0.03 0.87 0.00 0.00 0.00 175.76 177.12 3hrs h LYS 148 N 5.99 0.00 -7.11 0.00 1.57 -1.86 -3.49 116.57 111.68 3hrs h LYS 148 Ca -0.43 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.89 3hrs h LYS 148 Cb 1.21 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.53 3hrs h LYS 148 CO 0.73 0.31 0.36 -1.83 -0.57 0.00 0.00 179.45 178.45 3hrs s GLU 149 N -2.23 3.97 0.70 3.15 -1.05 -1.26 -4.99 118.70 116.98 3hrs s GLU 149 Ca -0.18 1.15 -0.05 0.00 -0.15 0.00 0.00 54.97 55.74 3hrs s GLU 149 Cb 0.03 -2.13 0.08 0.00 -0.44 0.00 0.00 34.13 31.66 3hrs s GLU 149 CO 0.32 -0.26 0.99 0.15 0.95 0.00 0.00 175.26 177.41 3hrs s LYS 150 N -3.48 2.07 0.00 -4.83 1.02 -1.26 -4.97 119.74 108.29 3hrs s LYS 150 Ca 0.63 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.12 3hrs s LYS 150 Cb -0.12 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 3hrs s LYS 150 CO 0.21 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 173.80 3hrs n GLY 151 N -2.86 0.61 3.69 -3.33 0.00 -1.05 -4.94 105.19 97.31 3hrs n GLY 151 Ca 0.10 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.36 7.17 0.44 1.61 1.01 -1.26 0.17 116.67 123.45 3hrs s ASP 152 Ca 0.00 1.44 0.06 0.00 0.71 0.00 0.00 52.55 54.75 3hrs s ASP 152 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3hrs s ASP 152 CO 0.00 -0.42 0.08 -0.31 0.21 0.00 0.00 175.17 174.73 3hrs s TYR 153 N 1.98 2.32 -0.08 4.23 1.51 0.47 -4.46 117.35 123.33 3hrs s TYR 153 Ca 0.46 -0.73 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3hrs s TYR 153 Cb -0.18 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 3hrs s TYR 153 CO 0.17 0.26 -0.16 0.42 -1.11 0.00 0.00 175.55 175.13 3hrs s ILE 154 N -2.73 2.89 -0.60 2.71 1.01 0.25 -0.89 121.20 123.84 3hrs s ILE 154 Ca 0.29 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 3hrs s ILE 154 Cb 0.06 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3hrs s ILE 154 CO 0.16 0.57 1.50 -0.22 0.00 0.00 0.00 174.94 176.94 3hrs s LEU 155 N -0.28 3.33 -0.01 2.97 1.98 -0.92 -1.07 118.68 124.68 3hrs s LEU 155 Ca 0.01 0.19 0.17 0.00 -2.89 0.00 0.00 54.13 51.61 3hrs s LEU 155 Cb -0.13 -2.86 -0.23 0.00 0.66 0.00 0.00 46.19 43.63 3hrs s LEU 155 CO 0.03 -1.88 0.51 0.00 -1.89 0.00 0.00 176.35 173.12 3hrs n ALA 156 N 10.25 3.27 -3.62 5.97 0.00 0.58 0.44 120.51 137.40 3hrs n ALA 156 Ca 0.13 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 3hrs n ALA 156 Cb 0.50 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 3hrs n ALA 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hrs s ARG 157 N -2.95 0.66 0.07 0.00 3.52 -0.71 -4.25 118.95 115.29 3hrs s ARG 157 Ca -0.01 0.68 0.09 0.00 -0.13 0.00 0.00 55.73 56.36 3hrs s ARG 157 Cb 0.12 0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.80 3hrs s ARG 157 CO 0.71 -0.10 -0.25 0.14 -0.81 0.00 0.00 175.30 174.99 3hrs s VAL 158 N 0.09 2.04 0.82 7.11 -7.23 -0.68 0.46 120.40 123.01 3hrs s VAL 158 Ca 0.01 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.56 3hrs s VAL 158 Cb -0.04 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3hrs s VAL 158 CO -0.02 0.23 0.28 1.57 -0.31 0.00 0.00 175.10 176.85 3hrs n HIS 159 N 1.51 -1.69 0.47 2.82 -0.00 -0.48 -4.81 115.22 113.03 3hrs n HIS 159 Ca -0.17 0.27 0.12 0.00 0.46 0.00 0.00 57.72 58.40 3hrs n HIS 159 Cb 0.53 -1.80 0.18 0.00 -0.12 0.00 0.00 29.99 28.77 3hrs n HIS 159 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 3hrs h ASP 160 N -0.82 0.00 -1.91 0.26 1.82 -1.94 -3.45 116.42 110.39 3hrs h ASP 160 Ca -0.44 -0.12 -0.65 0.00 -0.39 0.00 0.00 57.03 55.42 3hrs h ASP 160 Cb 1.33 0.00 0.08 0.00 0.68 0.00 0.00 39.33 41.41 3hrs h ASP 160 CO 0.37 0.06 0.29 -3.20 -1.61 0.00 0.00 179.24 175.15 3hrs n ASN 161 N -2.32 1.37 -0.15 2.28 2.85 -1.26 -4.81 115.26 113.22 3hrs n ASN 161 Ca 0.03 1.14 -0.06 0.00 -0.11 0.00 0.00 54.58 55.58 3hrs n ASN 161 Cb 0.47 -1.21 0.03 0.00 1.24 0.00 0.00 39.78 40.31 3hrs n ASN 161 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3hrs h PHE 162 N 3.50 0.47 -0.88 1.20 3.57 -1.96 -0.66 116.94 122.18 3hrs h PHE 162 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3hrs h PHE 162 Cb 1.34 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 3hrs h PHE 162 CO 0.55 0.26 0.56 -0.44 -2.23 0.00 0.00 178.31 177.00 3hrs h ASP 163 N 0.51 1.02 0.18 0.41 3.45 -1.99 0.71 116.42 120.71 3hrs h ASP 163 Ca 0.19 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 3hrs h ASP 163 Cb 0.06 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 3hrs h ASP 163 CO -0.11 0.76 -0.09 0.25 -1.57 0.00 0.00 179.24 178.48 3hrs h LEU 164 N 1.19 -0.21 0.41 1.55 5.85 -1.84 -0.81 115.31 121.46 3hrs h LEU 164 Ca 0.32 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3hrs h LEU 164 Cb -0.11 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3hrs h LEU 164 CO -0.07 -0.07 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.63 3hrs h LEU 165 N -0.34 -0.68 -0.93 2.25 3.38 -0.77 0.64 115.31 118.86 3hrs h LEU 165 Ca -0.03 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.12 3hrs h LEU 165 Cb 0.26 0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.08 3hrs h LEU 165 CO 0.04 -0.42 -0.45 0.74 0.09 0.00 0.00 178.44 178.45 3hrs h THR 166 N -0.66 0.02 -0.00 0.22 2.02 -0.92 0.72 112.91 114.31 3hrs h THR 166 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3hrs h THR 166 Cb 0.55 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 3hrs h THR 166 CO 0.03 0.00 -0.43 0.22 0.37 0.00 0.00 175.52 175.71 3hrs h TYR 167 N -0.04 -1.28 -0.69 3.16 3.20 0.02 0.15 116.97 121.49 3hrs h TYR 167 Ca 0.27 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.25 3hrs h TYR 167 Cb 0.54 0.56 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 3hrs h TYR 167 CO -0.88 -0.46 0.39 -0.07 -1.64 0.00 0.00 178.16 175.49 3hrs h LEU 168 N -0.54 0.57 -0.19 2.82 3.38 0.24 -1.78 115.31 119.81 3hrs h LEU 168 Ca 0.01 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3hrs h LEU 168 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hrs h LEU 168 CO -0.29 0.36 -0.48 -0.33 0.09 0.00 0.00 178.44 177.79 3hrs h GLU 169 N 0.70 0.66 -0.34 1.13 5.08 0.48 0.37 114.58 122.65 3hrs h GLU 169 Ca 0.32 -0.45 0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3hrs h GLU 169 Cb 0.22 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3hrs h GLU 169 CO -0.20 1.07 0.57 -0.09 -1.00 0.00 0.00 179.01 179.37 3hrs h ARG 170 N 0.34 0.00 -0.01 2.33 2.43 -0.20 -1.25 114.38 118.03 3hrs h ARG 170 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hrs h ARG 170 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3hrs h ARG 170 CO 0.10 0.00 -0.07 0.09 -1.51 0.00 0.00 179.97 178.59 3hrs n ASN 171 N -3.30 1.31 0.00 -3.80 3.02 -0.67 -5.03 115.26 106.79 3hrs n ASN 171 Ca 0.06 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3hrs n ASN 171 Cb 0.71 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 3hrs n ASN 171 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hrs n GLY 172 N 0.57 0.85 3.19 7.41 0.00 0.11 -5.04 105.19 112.29 3hrs n GLY 172 Ca 0.04 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 5.80 -0.20 0.99 1.43 -0.09 -5.00 118.68 121.62 3hrs s LEU 173 Ca 0.00 -2.68 -0.11 0.00 -1.03 0.00 0.00 54.13 50.31 3hrs s LEU 173 Cb 0.00 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3hrs s LEU 173 CO 0.00 -0.48 0.16 -1.10 0.23 0.00 0.00 176.35 175.17 3hrs s GLN 174 N 0.19 4.19 -0.18 1.70 -0.21 -1.26 -4.59 119.66 119.50 3hrs s GLN 174 Ca 0.16 -0.17 -0.41 0.00 0.02 0.00 0.00 55.36 54.96 3hrs s GLN 174 Cb -0.18 -3.44 -0.18 0.00 1.00 0.00 0.00 33.01 30.22 3hrs s GLN 174 CO -0.05 0.26 1.46 0.28 -2.12 0.00 0.00 175.29 175.12 3hrs n VAL 175 N 3.62 0.09 0.00 1.09 0.31 -1.26 0.62 118.33 122.80 3hrs n VAL 175 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3hrs n VAL 175 Cb 0.52 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 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 3.13 2.28 3.76 2.92 0.00 0.17 -5.01 105.19 112.45 3hrs n GLY 176 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3hrs n GLY 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hrs s LYS 177 N -0.12 4.47 0.53 1.61 2.47 0.20 -4.74 119.74 124.16 3hrs s LYS 177 Ca 0.00 2.01 -0.19 0.00 -1.56 0.00 0.00 55.97 56.24 3hrs s LYS 177 Cb 0.00 -3.10 -0.07 0.00 -1.46 0.00 0.00 37.83 33.20 3hrs s LYS 177 CO 0.00 -0.02 1.06 0.95 0.16 0.00 0.00 175.35 177.51 3hrs s THR 178 N -1.16 3.66 -0.14 3.43 -4.23 -1.26 -2.16 115.64 113.77 3hrs s THR 178 Ca 0.47 0.96 -0.07 0.00 -1.18 0.00 0.00 61.69 61.88 3hrs s THR 178 Cb -0.36 -3.39 0.06 0.00 1.34 0.00 0.00 72.50 70.15 3hrs s THR 178 CO 0.47 -0.29 0.33 -0.63 -0.54 0.00 0.00 174.62 173.96 3hrs s ILE 179 N -2.06 -0.15 -0.23 2.99 -1.09 -0.07 -4.75 121.20 115.84 3hrs s ILE 179 Ca 0.67 0.15 -0.11 0.00 -2.23 0.00 0.00 60.65 59.14 3hrs s ILE 179 Cb -0.18 -0.50 -0.05 0.00 -1.58 0.00 0.00 42.46 40.15 3hrs s ILE 179 CO 0.26 0.06 0.18 -0.60 -1.23 0.00 0.00 174.94 173.61 3hrs s ARG 180 N 1.62 4.09 -0.32 2.79 3.52 -1.25 0.18 118.95 129.58 3hrs s ARG 180 Ca -0.07 -0.22 -0.23 0.00 -0.13 0.00 0.00 55.73 55.07 3hrs s ARG 180 Cb -0.10 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3hrs s ARG 180 CO -0.11 0.08 0.79 0.12 -0.81 0.00 0.00 175.30 175.37 3hrs s PHE 181 N 1.00 3.18 -1.37 5.12 5.36 0.13 -0.89 117.98 130.50 3hrs s PHE 181 Ca 0.09 0.75 0.24 0.00 -0.96 0.00 0.00 56.93 57.04 3hrs s PHE 181 Cb -0.13 -3.27 0.29 0.00 -0.34 0.00 0.00 43.02 39.57 3hrs s PHE 181 CO 0.04 -0.61 1.27 1.28 -1.46 0.00 0.00 175.22 175.73 3hrs n LEU 182 N 6.27 1.03 0.00 6.12 4.77 0.44 -2.51 117.00 133.11 3hrs n LEU 182 Ca 0.04 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3hrs n LEU 182 Cb 0.48 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hrs n LEU 182 CO 0.51 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3hrs n GLY 183 N 1.45 3.18 3.59 -0.72 0.00 -1.21 -4.80 105.19 106.68 3hrs n GLY 183 Ca 0.07 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.94 3.23 -0.19 1.61 6.04 -1.26 -1.13 117.35 122.71 3hrs s TYR 184 Ca 0.00 0.18 -0.29 0.00 0.04 0.00 0.00 57.07 57.00 3hrs s TYR 184 Cb 0.00 -2.44 -0.00 0.00 -1.04 0.00 0.00 41.96 38.48 3hrs s TYR 184 CO 0.00 -0.19 1.09 0.34 -1.54 0.00 0.00 175.55 175.25 3hrs s ASP 185 N 1.73 7.08 0.44 4.32 -1.08 -0.16 -4.93 116.67 124.07 3hrs s ASP 185 Ca 0.09 1.50 0.19 0.00 -0.52 0.00 0.00 52.55 53.81 3hrs s ASP 185 Cb -0.16 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.78 3hrs s ASP 185 CO 0.11 -0.65 1.93 0.44 0.52 0.00 0.00 175.17 177.51 3hrs h ASP 186 N 7.56 0.00 0.00 -0.34 3.45 -1.97 -1.93 116.42 123.19 3hrs h ASP 186 Ca -0.23 0.00 -0.37 0.00 0.43 0.00 0.00 57.03 56.86 3hrs h ASP 186 Cb 1.09 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.80 3hrs h ASP 186 CO 0.95 0.25 -2.34 0.33 -1.57 0.00 0.00 179.24 176.86 3hrs n PHE 187 N -3.87 0.00 0.25 4.55 -0.00 -1.26 -4.49 117.46 112.63 3hrs n PHE 187 Ca -0.02 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.58 3hrs n PHE 187 Cb 0.34 -0.89 0.84 0.00 -0.00 0.00 0.00 39.48 39.77 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 -0.29 0.00 -1.55 -2.13 0.87 -1.96 -3.45 113.55 105.04 3hrs h SER 188 Ca -0.55 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 59.74 3hrs h SER 188 Cb 1.72 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.65 3hrs h SER 188 CO -0.18 0.00 -0.31 1.41 -0.53 0.00 0.00 176.83 177.22 3hrs n HIS 189 N -3.94 -0.46 -4.72 2.24 8.25 -0.73 -5.01 115.22 110.85 3hrs n HIS 189 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 3hrs n HIS 189 Cb 0.18 -2.74 -0.14 0.00 1.12 0.00 0.00 29.99 28.42 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 -3.56 2.17 -0.12 2.41 1.43 -1.24 -4.11 118.68 115.67 3hrs s LEU 190 Ca 0.00 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3hrs s LEU 190 Cb 0.00 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 3hrs s LEU 190 CO 0.00 0.19 0.07 -0.31 0.23 0.00 0.00 176.35 176.53 3hrs s TYR 191 N -0.80 3.37 -0.21 0.29 2.02 -0.58 -0.99 117.35 120.45 3hrs s TYR 191 Ca 0.09 0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 57.06 3hrs s TYR 191 Cb -0.09 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3hrs s TYR 191 CO 0.02 0.53 -0.02 -1.12 -1.57 0.00 0.00 175.55 173.39 3hrs s SER 192 N -0.73 4.62 0.26 2.29 0.01 -0.28 -1.48 113.70 118.39 3hrs s SER 192 Ca 0.12 -0.27 0.11 0.00 1.31 0.00 0.00 55.95 57.22 3hrs s SER 192 Cb -0.12 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 3hrs s SER 192 CO 0.03 0.04 -0.11 -0.76 0.41 0.00 0.00 173.24 172.84 3hrs s LEU 193 N 1.15 2.86 -0.55 2.44 1.43 -0.79 0.17 118.68 125.39 3hrs s LEU 193 Ca 0.02 -0.82 0.06 0.00 -1.03 0.00 0.00 54.13 52.37 3hrs s LEU 193 Cb -0.14 -1.41 0.23 0.00 0.03 0.00 0.00 46.19 44.90 3hrs s LEU 193 CO 0.01 0.04 0.61 1.21 0.23 0.00 0.00 176.35 178.44 3hrs n GLU 194 N -0.61 1.67 -3.58 1.70 4.07 -0.06 -2.03 120.64 121.79 3hrs n GLU 194 Ca -0.07 -4.07 -0.36 0.00 -0.06 0.00 0.00 57.16 52.60 3hrs n GLU 194 Cb 0.59 -1.89 -0.08 0.00 -0.06 0.00 0.00 31.44 30.00 3hrs n GLU 194 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3hrs s VAL 195 N -1.72 5.32 -1.22 6.31 0.11 -0.65 -3.74 120.40 124.81 3hrs s VAL 195 Ca 0.36 0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 59.82 3hrs s VAL 195 Cb 0.12 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 3hrs s VAL 195 CO -0.08 0.37 1.02 0.47 -3.33 0.00 0.00 175.10 173.55 3hrs n ASP 196 N 3.87 -2.59 -1.25 3.54 8.00 -1.26 -2.52 116.55 124.34 3hrs n ASP 196 Ca -0.13 -0.61 -0.14 0.00 0.71 0.00 0.00 54.79 54.62 3hrs n ASP 196 Cb 0.52 -5.11 -0.06 0.00 -0.02 0.00 0.00 41.12 36.44 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 -1.24 1.36 3.15 0.44 0.00 -1.26 -4.94 105.19 102.69 3hrs n GLY 197 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.15 0.77 -0.00 1.61 0.74 -1.05 -5.11 119.66 113.47 3hrs s GLN 198 Ca 0.00 -1.08 -0.11 0.00 0.05 0.00 0.00 55.36 54.22 3hrs s GLN 198 Cb 0.00 -0.44 -0.05 0.00 1.10 0.00 0.00 33.01 33.61 3hrs s GLN 198 CO 0.00 0.07 0.34 -2.00 -0.55 0.00 0.00 175.29 173.14 3hrs s GLU 199 N -2.59 3.74 0.01 1.67 2.12 -1.26 -1.64 118.70 120.75 3hrs s GLU 199 Ca 0.02 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.55 3hrs s GLU 199 Cb -0.04 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 3hrs s GLU 199 CO -0.00 0.67 -0.04 0.42 -0.54 0.00 0.00 175.26 175.77 3hrs s ILE 200 N -1.18 0.26 -0.25 -3.70 1.01 -0.86 -4.98 121.20 111.50 3hrs s ILE 200 Ca 0.25 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 3hrs s ILE 200 Cb -0.15 -0.28 0.03 0.00 0.01 0.00 0.00 42.46 42.07 3hrs s ILE 200 CO 0.13 -0.10 -0.05 -1.10 0.00 0.00 0.00 174.94 173.83 3hrs s GLN 201 N -0.54 2.82 -0.13 2.79 -1.52 -1.26 -1.88 119.66 119.94 3hrs s GLN 201 Ca -0.03 -0.99 -0.03 0.00 -1.95 0.00 0.00 55.36 52.36 3hrs s GLN 201 Cb -0.04 -3.02 -0.03 0.00 -0.22 0.00 0.00 33.01 29.70 3hrs s GLN 201 CO -0.00 -0.42 -0.03 -0.51 -0.25 0.00 0.00 175.29 174.08 3hrs s LEU 202 N 1.33 3.30 1.23 2.90 1.43 -0.55 -4.93 118.68 123.40 3hrs s LEU 202 Ca -0.00 -0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.84 3hrs s LEU 202 Cb -0.17 -1.78 0.30 0.00 0.03 0.00 0.00 46.19 44.57 3hrs s LEU 202 CO -0.04 0.24 1.07 0.00 0.23 0.00 0.00 176.35 177.84 3hrs s ALA 203 N -0.03 0.30 -0.04 4.21 0.00 -1.26 -1.53 121.76 123.41 3hrs s ALA 203 Ca 0.01 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 3hrs s ALA 203 Cb -0.13 -2.93 -0.16 0.00 0.00 0.00 0.00 23.12 19.90 3hrs s ALA 203 CO 0.03 -3.77 0.99 0.37 0.00 0.00 0.00 175.76 173.38 3hrs h GLN 204 N -2.72 -0.22 -0.90 0.00 -0.00 -1.99 -2.35 115.11 106.92 3hrs h GLN 204 Ca -0.46 0.02 0.21 0.00 -0.00 0.00 0.00 58.65 58.42 3hrs h GLN 204 Cb 1.31 0.05 -0.06 0.00 0.00 0.00 0.00 27.48 28.78 3hrs h GLN 204 CO 0.35 0.20 0.60 -1.35 0.00 0.00 0.00 178.83 178.63 3hrs h PRO 205 N -0.80 0.34 0.12 -2.39 0.11 -1.95 0.49 132.00 127.92 3hrs h PRO 205 Ca -0.02 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.77 3hrs h PRO 205 Cb 0.52 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.58 3hrs h PRO 205 CO 0.04 0.22 -1.23 0.82 -0.21 0.00 0.00 178.00 177.64 3hrs h ILE 206 N 0.35 1.32 0.00 4.15 5.03 -1.94 -3.27 117.51 123.14 3hrs h ILE 206 Ca 0.47 -2.54 0.00 0.00 -0.12 0.00 0.00 64.86 62.67 3hrs h ILE 206 Cb 1.25 2.71 0.00 0.00 -3.03 0.00 0.00 36.82 37.75 3hrs h ILE 206 CO -0.16 0.77 0.00 0.00 -0.68 0.00 0.00 178.15 178.08 3hrs n ALA 207 N -2.65 1.68 0.86 1.87 0.00 0.06 -1.80 120.51 120.51 3hrs n ALA 207 Ca -0.13 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.49 3hrs n ALA 207 Cb 0.98 -1.39 0.28 0.00 0.00 0.00 0.00 19.45 19.32 3hrs n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrs n GLN 208 N -2.24 1.95 -0.01 0.00 10.64 -0.54 -2.37 117.38 124.81 3hrs n GLN 208 Ca 0.02 -1.45 0.00 0.00 -1.83 0.00 0.00 57.00 53.75 3hrs n GLN 208 Cb 0.23 -1.39 0.01 0.00 -0.86 0.00 0.00 30.24 28.23 3hrs n GLN 208 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3hrs n GLN 209 N 0.67 2.13 -5.13 2.61 6.02 -0.75 -4.95 117.38 117.98 3hrs n GLN 209 Ca 0.16 -1.28 -0.32 0.00 -0.01 0.00 0.00 57.00 55.55 3hrs n GLN 209 Cb 0.38 -0.89 -0.15 0.00 1.02 0.00 0.00 30.24 30.61 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 -0.81 2.45 -0.08 5.09 1.01 -1.23 -1.39 121.20 126.25 3hrs s ILE 210 Ca 0.01 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3hrs s ILE 210 Cb 0.01 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3hrs s ILE 210 CO 0.00 0.58 -0.22 -0.31 0.00 0.00 0.00 174.94 174.99 3hrs s TYR 211 N -0.50 2.56 0.50 3.97 1.51 0.17 -1.47 117.35 124.10 3hrs s TYR 211 Ca 0.06 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.40 3hrs s TYR 211 Cb -0.11 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 3hrs s TYR 211 CO 0.01 -0.23 0.03 0.14 -1.11 0.00 0.00 175.55 174.40 3hrs s VAL 212 N -0.01 0.93 -0.17 0.71 -7.23 0.62 -0.31 120.40 114.95 3hrs s VAL 212 Ca -0.07 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.00 3hrs s VAL 212 Cb -0.15 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.74 3hrs s VAL 212 CO 0.05 0.00 0.42 -1.61 -0.31 0.00 0.00 175.10 173.65 3hrs s GLU 213 N -3.84 0.41 0.00 4.82 0.41 -0.23 -4.47 118.70 115.78 3hrs s GLU 213 Ca 0.06 0.80 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 3hrs s GLU 213 Cb 0.01 -0.01 0.00 0.00 -1.78 0.00 0.00 34.13 32.35 3hrs s GLU 213 CO 0.04 -0.16 0.36 1.17 -0.49 0.00 0.00 175.26 176.19 3hrs n LYS 214 N 4.22 0.00 0.00 1.61 0.00 -1.26 0.84 118.16 123.57 3hrs n LYS 214 Ca -0.23 0.14 0.00 0.00 0.00 0.00 0.00 58.31 58.22 3hrs n LYS 214 Cb 0.55 -0.86 0.00 0.00 0.00 0.00 0.00 35.03 34.72 3hrs n LYS 214 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91