#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h90 n VAL 9 N 0.00 0.00 -3.27 1.47 0.31 -1.26 -5.13 118.33 110.45 3h90 n VAL 9 Ca 0.00 -0.89 -0.14 0.00 -0.01 0.00 0.00 64.34 63.30 3h90 n VAL 9 Cb 0.00 -1.32 0.03 0.00 -0.91 0.00 0.00 33.84 31.64 3h90 n VAL 9 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h90 n SER 10 N -3.22 1.63 0.00 4.52 3.41 -1.26 -4.96 113.62 113.74 3h90 n SER 10 Ca 0.11 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3h90 n SER 10 Cb 0.39 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3h90 n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h90 n ARG 11 N -1.66 0.00 0.00 4.33 5.12 -1.26 0.01 116.66 123.20 3h90 n ARG 11 Ca 0.07 0.11 0.08 0.00 -1.93 0.00 0.00 57.85 56.17 3h90 n ARG 11 Cb 0.40 -1.52 0.46 0.00 -1.16 0.00 0.00 32.46 30.64 3h90 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h90 n ALA 12 N -1.06 2.03 -0.17 7.54 0.00 -1.26 -2.15 120.51 125.44 3h90 n ALA 12 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h90 n ALA 12 Cb 0.02 -1.27 0.25 0.00 0.00 0.00 0.00 19.45 18.45 3h90 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h90 h ALA 13 N 2.94 1.44 -0.11 0.00 0.00 -0.79 -2.34 119.26 120.40 3h90 h ALA 13 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 3h90 h ALA 13 Cb 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h90 h ALA 13 CO 0.00 0.48 -0.78 -0.84 0.00 0.00 0.00 179.25 178.11 3h90 h ILE 14 N 0.91 1.30 -0.87 0.00 3.07 -1.68 -2.88 117.51 117.35 3h90 h ILE 14 Ca 0.24 -2.00 0.23 0.00 1.55 0.00 0.00 64.86 64.87 3h90 h ILE 14 Cb -0.02 2.12 -0.15 0.00 -0.27 0.00 0.00 36.82 38.50 3h90 h ILE 14 CO -0.04 0.63 0.16 0.00 -1.05 0.00 0.00 178.15 177.84 3h90 h ALA 15 N 0.50 1.18 -0.76 0.16 0.00 -1.61 -1.99 119.26 116.73 3h90 h ALA 15 Ca -0.07 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3h90 h ALA 15 Cb 1.42 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 3h90 h ALA 15 CO 0.16 -0.49 0.32 0.00 0.00 0.00 0.00 179.25 179.24 3h90 h ALA 16 N 1.80 0.98 -0.25 0.00 0.00 -1.21 -2.82 119.26 117.77 3h90 h ALA 16 Ca 0.54 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3h90 h ALA 16 Cb 1.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3h90 h ALA 16 CO -0.70 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.10 3h90 h THR 17 N 1.09 1.18 -0.90 0.00 1.03 -1.27 -2.54 112.91 111.49 3h90 h THR 17 Ca 0.25 -0.72 0.10 0.00 -0.01 0.00 0.00 66.41 66.03 3h90 h THR 17 Cb 0.19 1.04 -0.08 0.00 -1.07 0.00 0.00 68.15 68.23 3h90 h THR 17 CO -0.02 0.24 0.54 0.00 -0.01 0.00 0.00 175.52 176.27 3h90 h ALA 18 N 1.60 1.30 0.00 0.00 0.00 -1.27 0.16 119.26 121.04 3h90 h ALA 18 Ca 0.08 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3h90 h ALA 18 Cb 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3h90 h ALA 18 CO 0.01 0.18 -0.88 0.52 0.00 0.00 0.00 179.25 179.07 3h90 h MET 19 N 0.90 0.00 0.00 0.00 2.86 -1.61 -3.08 114.93 113.99 3h90 h MET 19 Ca 0.43 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.07 3h90 h MET 19 Cb 0.38 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3h90 h MET 19 CO -0.24 0.88 -0.02 0.00 1.06 0.00 0.00 176.91 178.59 3h90 h ALA 20 N 1.11 1.72 -0.40 6.32 0.00 -0.56 0.68 119.26 128.14 3h90 h ALA 20 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3h90 h ALA 20 Cb 1.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3h90 h ALA 20 CO 0.12 0.03 -0.24 1.03 0.00 0.00 0.00 179.25 180.18 3h90 h SER 21 N 0.00 0.84 0.00 0.00 0.87 -0.71 -2.59 113.55 111.95 3h90 h SER 21 Ca -0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3h90 h SER 21 Cb 0.05 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3h90 h SER 21 CO 0.00 1.04 0.00 0.18 -0.53 0.00 0.00 176.83 177.52 3h90 n LEU 22 N -4.10 0.00 0.04 2.23 4.32 0.21 -2.04 117.00 117.66 3h90 n LEU 22 Ca -0.00 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.03 3h90 n LEU 22 Cb 0.45 0.00 0.44 0.00 -1.62 0.00 0.00 43.42 42.69 3h90 n LEU 22 CO 0.45 0.00 1.13 0.25 -1.22 0.00 0.00 177.39 178.00 3h90 h LEU 23 N 0.00 0.41 0.00 2.23 7.12 -0.43 -1.50 115.31 123.13 3h90 h LEU 23 Ca 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.99 3h90 h LEU 23 Cb 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 3h90 h LEU 23 CO 0.00 0.31 0.00 0.00 -0.13 0.00 0.00 178.44 178.62 3h90 n LEU 24 N -4.47 0.00 -0.34 2.25 -0.00 -0.86 -1.37 117.00 112.21 3h90 n LEU 24 Ca 0.02 0.07 0.01 0.00 -0.00 0.00 0.00 56.01 56.11 3h90 n LEU 24 Cb 0.08 -0.07 0.15 0.00 -0.00 0.00 0.00 43.42 43.58 3h90 n LEU 24 CO 0.35 -0.04 1.23 -0.07 -0.00 0.00 0.00 177.39 178.86 3h90 h LEU 25 N 0.00 0.95 -0.88 1.47 -0.00 -1.49 -1.84 115.31 113.51 3h90 h LEU 25 Ca 0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.80 3h90 h LEU 25 Cb 0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 3h90 h LEU 25 CO 0.00 0.61 -0.44 0.16 -0.00 0.00 0.00 178.44 178.77 3h90 h ILE 26 N 1.09 1.02 -0.06 1.22 3.07 -1.44 -2.94 117.51 119.47 3h90 h ILE 26 Ca 0.40 -1.67 -0.11 0.00 1.55 0.00 0.00 64.86 65.03 3h90 h ILE 26 Cb 0.15 1.99 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 3h90 h ILE 26 CO -0.17 0.43 -0.45 0.50 -1.05 0.00 0.00 178.15 177.41 3h90 h LYS 27 N 0.00 0.15 0.00 0.16 3.64 -1.53 0.99 116.57 119.98 3h90 h LYS 27 Ca -0.00 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 3h90 h LYS 27 Cb 0.95 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3h90 h LYS 27 CO 0.06 0.57 -0.44 0.97 -2.27 0.00 0.00 179.45 178.34 3h90 h ILE 28 N 0.12 1.31 0.00 2.00 -0.00 -1.18 -2.57 117.51 117.19 3h90 h ILE 28 Ca 0.01 -1.50 -0.12 0.00 -0.00 0.00 0.00 64.86 63.25 3h90 h ILE 28 Cb 0.84 1.81 -0.02 0.00 -0.00 0.00 0.00 36.82 39.45 3h90 h ILE 28 CO 0.06 0.43 -0.89 0.15 -0.00 0.00 0.00 178.15 177.90 3h90 h PHE 29 N 0.00 0.00 0.00 2.19 3.57 -1.22 -3.21 116.94 118.27 3h90 h PHE 29 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h90 h PHE 29 Cb 0.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3h90 h PHE 29 CO 0.00 0.48 0.00 0.00 -2.23 0.00 0.00 178.31 176.56 3h90 n ALA 30 N -2.29 2.39 -2.27 2.41 0.00 0.34 -4.66 120.51 116.43 3h90 n ALA 30 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 3h90 n ALA 30 Cb 0.76 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.22 3h90 n ALA 30 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3h90 s TRP 31 N -1.03 3.10 -0.09 0.00 -2.14 -1.12 -4.93 118.94 112.74 3h90 s TRP 31 Ca 0.00 0.03 -0.04 0.00 2.66 0.00 0.00 56.10 58.75 3h90 s TRP 31 Cb 0.00 -2.32 0.04 0.00 -3.10 0.00 0.00 33.47 28.09 3h90 s TRP 31 CO 0.00 -0.38 0.20 -1.58 -2.66 0.00 0.00 176.95 172.54 3h90 s TRP 32 N -2.49 -0.26 0.00 1.66 0.23 -1.26 -4.97 118.94 111.85 3h90 s TRP 32 Ca 0.50 0.66 0.00 0.00 -2.03 0.00 0.00 56.10 55.23 3h90 s TRP 32 Cb -0.10 -0.01 0.00 0.00 0.03 0.00 0.00 33.47 33.39 3h90 s TRP 32 CO 0.36 -0.21 0.00 0.98 0.96 0.00 0.00 176.95 179.04 3h90 n TYR 33 N 4.22 0.00 0.12 -1.98 4.19 -1.25 -4.33 117.16 118.13 3h90 n TYR 33 Ca -0.26 0.00 0.02 0.00 3.31 0.00 0.00 57.90 60.97 3h90 n TYR 33 Cb 0.52 0.03 0.01 0.00 0.49 0.00 0.00 39.34 40.40 3h90 n TYR 33 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 3h90 h THR 34 N 0.00 0.83 -0.02 2.97 2.02 -1.96 -2.68 112.91 114.07 3h90 h THR 34 Ca 0.00 -2.21 -0.02 0.00 0.77 0.00 0.00 66.41 64.95 3h90 h THR 34 Cb 0.87 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 3h90 h THR 34 CO 0.00 0.47 -0.07 1.23 0.37 0.00 0.00 175.52 177.52 3h90 h GLY 35 N 3.52 0.10 -6.54 2.16 0.00 -1.93 -3.44 103.07 96.92 3h90 h GLY 35 Ca -0.02 -0.13 -0.23 0.00 0.00 0.00 0.00 47.33 46.95 3h90 h GLY 35 CO 0.06 0.11 -0.54 -0.56 0.00 0.00 0.00 176.54 175.61 3h90 s SER 36 N -5.97 0.37 -1.15 0.19 0.01 -1.24 -5.09 113.70 100.83 3h90 s SER 36 Ca -0.16 0.55 -0.23 0.00 1.31 0.00 0.00 55.95 57.42 3h90 s SER 36 Cb 0.01 0.61 -0.07 0.00 0.21 0.00 0.00 66.02 66.78 3h90 s SER 36 CO 0.70 -0.24 1.92 0.54 0.41 0.00 0.00 173.24 176.58 3h90 s VAL 37 N 2.32 3.56 -0.12 3.43 0.11 -1.01 -3.84 120.40 124.85 3h90 s VAL 37 Ca 0.01 -0.90 -0.20 0.00 -2.93 0.00 0.00 61.98 57.96 3h90 s VAL 37 Cb -0.12 -4.53 0.05 0.00 -1.53 0.00 0.00 36.38 30.25 3h90 s VAL 37 CO -0.08 -1.04 0.51 -0.55 -3.33 0.00 0.00 175.10 170.61 3h90 s SER 38 N 6.58 -0.49 -0.02 3.54 0.15 -1.26 -5.09 113.70 117.11 3h90 s SER 38 Ca 0.68 0.74 0.01 0.00 0.70 0.00 0.00 55.95 58.08 3h90 s SER 38 Cb -0.01 0.76 0.01 0.00 -1.71 0.00 0.00 66.02 65.07 3h90 s SER 38 CO 0.11 -0.35 -0.05 -0.63 1.20 0.00 0.00 173.24 173.53 3h90 s ILE 39 N -0.46 0.44 0.00 6.45 1.01 -1.26 -4.61 121.20 122.77 3h90 s ILE 39 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3h90 s ILE 39 Cb -0.03 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3h90 s ILE 39 CO 0.04 0.16 0.00 -0.11 0.00 0.00 0.00 174.94 175.03 3h90 n LEU 40 N 3.48 0.00 0.00 2.97 7.94 -1.26 -5.09 117.00 125.03 3h90 n LEU 40 Ca -0.19 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.68 3h90 n LEU 40 Cb 0.54 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.38 3h90 n LEU 40 CO 0.24 0.00 -0.48 0.00 -1.11 0.00 0.00 177.39 176.05 3h90 n ALA 41 N -3.00 1.82 0.81 1.96 0.00 -1.26 -4.36 120.51 116.48 3h90 n ALA 41 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3h90 n ALA 41 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3h90 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h90 n ALA 42 N -2.47 2.29 0.37 0.00 0.00 -1.26 -2.00 120.51 117.44 3h90 n ALA 42 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3h90 n ALA 42 Cb 0.91 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 3h90 n ALA 42 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3h90 n LEU 43 N 0.46 0.38 -0.12 0.00 -0.00 -1.26 -4.21 117.00 112.24 3h90 n LEU 43 Ca 0.00 -0.24 -0.17 0.00 -0.00 0.00 0.00 56.01 55.59 3h90 n LEU 43 Cb 0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.65 3h90 n LEU 43 CO 0.00 0.09 -1.30 0.52 -0.00 0.00 0.00 177.39 176.70 3h90 n VAL 44 N -1.75 1.49 -0.33 1.47 0.31 -0.85 -2.97 118.33 115.71 3h90 n VAL 44 Ca -0.00 -0.61 0.09 0.00 -0.01 0.00 0.00 64.34 63.81 3h90 n VAL 44 Cb 0.35 -1.33 0.29 0.00 -0.91 0.00 0.00 33.84 32.24 3h90 n VAL 44 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3h90 h ASP 45 N 0.00 0.84 0.19 4.52 3.58 -1.80 0.46 116.42 124.20 3h90 h ASP 45 Ca -0.57 0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.92 3h90 h ASP 45 Cb 1.94 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.87 3h90 h ASP 45 CO -0.07 0.44 -0.15 -1.54 -2.88 0.00 0.00 179.24 175.05 3h90 n SER 46 N -4.59 0.99 -0.01 2.28 3.41 -1.26 -1.74 113.62 112.70 3h90 n SER 46 Ca 0.18 -0.99 -0.16 0.00 -0.26 0.00 0.00 58.87 57.65 3h90 n SER 46 Cb 0.38 0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 3h90 n SER 46 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3h90 n LEU 47 N -0.51 1.86 -0.10 1.04 7.94 -0.25 -3.38 117.00 123.60 3h90 n LEU 47 Ca 0.15 0.29 -0.07 0.00 -1.11 0.00 0.00 56.01 55.27 3h90 n LEU 47 Cb 0.33 -0.55 0.01 0.00 0.53 0.00 0.00 43.42 43.74 3h90 n LEU 47 CO 0.23 0.65 0.96 0.58 -1.11 0.00 0.00 177.39 178.71 3h90 h VAL 48 N 0.04 0.96 -0.49 1.96 2.07 -0.17 -3.09 116.25 117.52 3h90 h VAL 48 Ca -0.37 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.13 3h90 h VAL 48 Cb 2.03 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 32.31 3h90 h VAL 48 CO 0.08 0.06 -0.06 0.44 0.02 0.00 0.00 177.57 178.11 3h90 h ASP 49 N 0.33 -0.33 -0.14 0.57 5.19 -1.46 0.80 116.42 121.39 3h90 h ASP 49 Ca 0.15 0.13 0.05 0.00 -0.62 0.00 0.00 57.03 56.74 3h90 h ASP 49 Cb 0.08 0.26 -0.06 0.00 0.18 0.00 0.00 39.33 39.79 3h90 h ASP 49 CO -0.12 -0.12 -0.25 0.40 -3.12 0.00 0.00 179.24 176.03 3h90 h ILE 50 N 0.06 0.41 0.59 0.35 2.04 -1.55 -0.73 117.51 118.68 3h90 h ILE 50 Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 3h90 h ILE 50 Cb 0.37 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3h90 h ILE 50 CO -0.46 0.00 -0.28 1.23 0.00 0.00 0.00 178.15 178.64 3h90 h GLY 51 N -0.31 -0.83 -0.47 5.37 0.00 -1.31 -0.71 103.07 104.81 3h90 h GLY 51 Ca 0.10 0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.79 3h90 h GLY 51 CO -0.31 -0.30 -0.38 0.00 0.00 0.00 0.00 176.54 175.54 3h90 h ALA 52 N -1.64 -0.49 0.00 3.60 0.00 -0.84 0.15 119.26 120.04 3h90 h ALA 52 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h90 h ALA 52 Cb 0.61 1.12 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3h90 h ALA 52 CO 0.13 -0.72 0.00 -1.13 0.00 0.00 0.00 179.25 177.53 3h90 n SER 53 N -4.49 0.00 -0.00 0.00 3.41 -0.28 -1.10 113.62 111.15 3h90 n SER 53 Ca -0.00 0.36 -0.17 0.00 -0.26 0.00 0.00 58.87 58.80 3h90 n SER 53 Cb 0.20 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 3h90 n SER 53 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3h90 h LEU 54 N 0.00 0.47 -0.35 1.04 5.85 0.05 -2.35 115.31 120.01 3h90 h LEU 54 Ca 0.00 -0.76 0.08 0.00 0.84 0.00 0.00 57.88 58.04 3h90 h LEU 54 Cb 0.40 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 3h90 h LEU 54 CO 0.00 1.17 -0.16 0.74 -0.34 0.00 0.00 178.44 179.85 3h90 h THR 55 N -0.18 0.51 -0.94 1.05 2.02 -0.18 -1.85 112.91 113.34 3h90 h THR 55 Ca -0.06 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.27 3h90 h THR 55 Cb 1.25 0.51 -0.09 0.00 -1.74 0.00 0.00 68.15 68.07 3h90 h THR 55 CO 0.10 0.00 0.55 -1.13 0.37 0.00 0.00 175.52 175.41 3h90 h ASN 56 N -0.10 0.73 -0.52 4.18 -1.24 -1.13 0.15 115.58 117.65 3h90 h ASN 56 Ca 0.18 0.08 0.01 0.00 0.71 0.00 0.00 56.30 57.27 3h90 h ASN 56 Cb 0.37 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 3h90 h ASN 56 CO -0.42 0.32 0.34 0.25 -1.29 0.00 0.00 177.43 176.64 3h90 h LEU 57 N 0.78 0.59 -0.51 0.34 5.85 -0.79 -1.14 115.31 120.43 3h90 h LEU 57 Ca 0.51 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.19 3h90 h LEU 57 Cb 0.67 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3h90 h LEU 57 CO -0.34 0.43 0.25 -0.07 -0.34 0.00 0.00 178.44 178.37 3h90 h LEU 58 N 0.70 0.67 -0.68 2.25 3.38 -0.58 -1.66 115.31 119.40 3h90 h LEU 58 Ca 0.19 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3h90 h LEU 58 Cb -0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3h90 h LEU 58 CO -0.04 0.61 0.21 0.58 0.09 0.00 0.00 178.44 179.88 3h90 h VAL 59 N 0.68 1.25 -0.52 1.22 2.07 -0.71 -0.39 116.25 119.86 3h90 h VAL 59 Ca 0.18 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 3h90 h VAL 59 Cb 0.12 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3h90 h VAL 59 CO -0.02 0.34 0.01 -0.37 0.02 0.00 0.00 177.57 177.55 3h90 h VAL 60 N 0.99 1.26 -0.42 2.57 -1.51 -1.14 0.22 116.25 118.22 3h90 h VAL 60 Ca 0.22 -1.08 0.02 0.00 -1.23 0.00 0.00 66.70 64.62 3h90 h VAL 60 Cb 0.30 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 3h90 h VAL 60 CO -0.01 0.38 0.28 -0.09 -1.23 0.00 0.00 177.57 176.91 3h90 h ARG 61 N 0.79 0.51 -0.22 5.19 2.43 -0.90 0.26 114.38 122.44 3h90 h ARG 61 Ca 0.15 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3h90 h ARG 61 Cb 0.52 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3h90 h ARG 61 CO 0.03 0.34 -0.09 -0.92 -1.51 0.00 0.00 179.97 177.82 3h90 h TYR 62 N 0.53 0.51 -0.87 2.20 5.03 -0.67 -3.20 116.97 120.50 3h90 h TYR 62 Ca 0.16 -0.12 0.20 0.00 2.58 0.00 0.00 58.73 61.56 3h90 h TYR 62 Cb 0.01 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.11 3h90 h TYR 62 CO -0.00 0.71 0.58 1.03 -1.32 0.00 0.00 178.16 179.17 3h90 h SER 63 N 0.16 0.32 0.84 -2.11 0.87 0.26 -2.30 113.55 111.60 3h90 h SER 63 Ca 0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3h90 h SER 63 Cb 0.57 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3h90 h SER 63 CO 0.03 0.13 -0.18 0.18 -0.53 0.00 0.00 176.83 176.46 3h90 n LEU 64 N -4.46 0.19 -4.77 2.23 7.99 0.28 -3.94 117.00 114.53 3h90 n LEU 64 Ca 0.18 0.33 -0.40 0.00 -0.01 0.00 0.00 56.01 56.11 3h90 n LEU 64 Cb 0.72 -0.41 0.01 0.00 -0.11 0.00 0.00 43.42 43.64 3h90 n LEU 64 CO 0.32 0.04 1.05 -1.10 -1.51 0.00 0.00 177.39 176.19 3h90 s GLN 65 N -3.00 3.70 0.98 3.23 -0.21 -0.87 -5.01 119.66 118.48 3h90 s GLN 65 Ca 0.13 2.36 -0.16 0.00 0.02 0.00 0.00 55.36 57.71 3h90 s GLN 65 Cb 0.18 -2.65 0.21 0.00 1.00 0.00 0.00 33.01 31.75 3h90 s GLN 65 CO 0.59 -0.78 1.31 -2.14 -2.12 0.00 0.00 175.29 172.15 3h90 s PRO 66 N -2.44 0.49 0.07 2.91 0.02 -1.26 -4.24 135.00 130.54 3h90 s PRO 66 Ca 0.61 -0.39 -0.37 0.00 0.02 0.00 0.00 61.00 60.87 3h90 s PRO 66 Cb -0.43 -1.83 -0.18 0.00 0.02 0.00 0.00 34.50 32.09 3h90 s PRO 66 CO 0.54 -2.52 1.15 0.00 -0.33 0.00 0.00 177.00 175.84 3h90 n ALA 67 N -3.85 -2.22 -3.20 -1.55 0.00 -1.26 -4.85 120.51 103.58 3h90 n ALA 67 Ca 0.15 0.54 -0.05 0.00 0.00 0.00 0.00 53.44 54.08 3h90 n ALA 67 Cb 0.59 -1.90 0.01 0.00 0.00 0.00 0.00 19.45 18.15 3h90 n ALA 67 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h90 n ASP 68 N 1.98 0.76 0.04 0.00 2.03 0.02 -5.00 116.55 116.38 3h90 n ASP 68 Ca 0.19 -1.35 -0.19 0.00 0.52 0.00 0.00 54.79 53.95 3h90 n ASP 68 Cb 0.15 -0.06 -0.14 0.00 -0.72 0.00 0.00 41.12 40.36 3h90 n ASP 68 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 3h90 h ASP 69 N 0.06 0.49 -0.38 1.67 -0.00 -1.99 -3.38 116.42 112.89 3h90 h ASP 69 Ca -0.06 -0.91 0.00 0.00 -0.00 0.00 0.00 57.03 56.06 3h90 h ASP 69 Cb 0.26 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 39.44 3h90 h ASP 69 CO 0.09 1.35 0.00 -0.46 -0.00 0.00 0.00 179.24 180.22 3h90 n ASN 70 N -4.15 3.44 -3.79 2.28 0.23 -1.26 -4.52 115.26 107.49 3h90 n ASN 70 Ca -0.13 -2.31 -0.28 0.00 -0.53 0.00 0.00 54.58 51.33 3h90 n ASN 70 Cb 0.79 -0.36 -0.12 0.00 -2.08 0.00 0.00 39.78 38.00 3h90 n ASN 70 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 3h90 s HIS 71 N -1.57 2.93 -0.60 -2.53 3.76 -1.26 -4.97 115.29 111.05 3h90 s HIS 71 Ca 0.33 -3.06 0.25 0.00 -0.15 0.00 0.00 55.06 52.43 3h90 s HIS 71 Cb 0.21 -2.31 0.70 0.00 1.11 0.00 0.00 32.58 32.28 3h90 s HIS 71 CO 0.16 -0.64 1.73 0.66 -0.85 0.00 0.00 174.74 175.80 3h90 h SER 72 N 5.67 0.00 -1.19 1.40 4.64 -1.79 0.10 113.55 122.37 3h90 h SER 72 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3h90 h SER 72 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3h90 h SER 72 CO 0.63 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 177.08 3h90 n PHE 73 N -2.54 0.00 -0.20 4.77 3.72 -1.26 -4.84 117.46 117.10 3h90 n PHE 73 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3h90 n PHE 73 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3h90 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h90 n GLY 74 N 5.00 -2.97 0.09 1.37 0.00 -1.26 -4.50 105.19 102.92 3h90 n GLY 74 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 46.02 44.69 3h90 n GLY 74 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h90 n HIS 75 N -2.25 0.06 -0.15 1.61 8.25 -1.26 -4.86 115.22 116.62 3h90 n HIS 75 Ca 0.00 -0.48 -0.06 0.00 -0.26 0.00 0.00 57.72 56.92 3h90 n HIS 75 Cb 0.00 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.06 3h90 n HIS 75 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3h90 h GLY 76 N 0.29 -0.15 -0.32 -1.41 0.00 -1.82 -1.55 103.07 98.10 3h90 h GLY 76 Ca 0.00 0.41 0.22 0.00 0.00 0.00 0.00 47.33 47.96 3h90 h GLY 76 CO 0.00 -0.21 0.95 0.50 0.00 0.00 0.00 176.54 177.78 3h90 h LYS 77 N -0.20 0.00 -0.92 4.80 1.79 -1.91 0.51 116.57 120.64 3h90 h LYS 77 Ca 0.20 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.91 3h90 h LYS 77 Cb 0.54 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.06 3h90 h LYS 77 CO -0.59 0.00 0.42 0.00 -1.08 0.00 0.00 179.45 178.20 3h90 h ALA 78 N 0.82 1.53 0.20 3.86 0.00 -1.64 0.24 119.26 124.26 3h90 h ALA 78 Ca 0.36 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3h90 h ALA 78 Cb 2.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 3h90 h ALA 78 CO -0.00 -0.38 -0.18 0.93 0.00 0.00 0.00 179.25 179.62 3h90 h GLU 79 N 0.39 -0.38 -0.61 0.00 5.08 -1.11 0.12 114.58 118.07 3h90 h GLU 79 Ca 0.59 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.96 3h90 h GLU 79 Cb 1.17 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3h90 h GLU 79 CO -0.55 -0.25 0.29 0.77 -1.00 0.00 0.00 179.01 178.27 3h90 h SER 80 N -0.39 0.78 0.67 1.42 0.02 -1.23 0.53 113.55 115.34 3h90 h SER 80 Ca -0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3h90 h SER 80 Cb 0.36 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3h90 h SER 80 CO -0.03 0.66 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.85 3h90 h LEU 81 N 0.86 -1.00 -1.16 5.07 4.07 -0.87 0.14 115.31 122.43 3h90 h LEU 81 Ca 0.21 0.05 0.19 0.00 0.08 0.00 0.00 57.88 58.42 3h90 h LEU 81 Cb 0.10 0.29 -0.09 0.00 1.08 0.00 0.00 40.66 42.03 3h90 h LEU 81 CO -0.03 -0.63 0.61 0.00 -1.08 0.00 0.00 178.44 177.32 3h90 h ALA 82 N -0.76 1.82 0.73 1.53 0.00 0.30 0.50 119.26 123.38 3h90 h ALA 82 Ca -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3h90 h ALA 82 Cb 0.81 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3h90 h ALA 82 CO 0.09 -0.16 -0.35 0.00 0.00 0.00 0.00 179.25 178.84 3h90 h ALA 83 N 1.62 -1.13 -0.94 0.00 0.00 0.18 -2.27 119.26 116.73 3h90 h ALA 83 Ca 0.54 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.42 3h90 h ALA 83 Cb 0.95 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 3h90 h ALA 83 CO -0.31 -1.05 0.60 1.25 0.00 0.00 0.00 179.25 179.73 3h90 h LEU 84 N -1.09 0.62 0.09 0.00 5.85 0.99 0.43 115.31 122.21 3h90 h LEU 84 Ca -0.10 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3h90 h LEU 84 Cb 0.75 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3h90 h LEU 84 CO 0.16 0.26 -0.20 0.00 -0.34 0.00 0.00 178.44 178.33 3h90 h ALA 85 N 1.61 -0.32 -0.38 1.25 0.00 -0.07 -2.81 119.26 118.54 3h90 h ALA 85 Ca 0.50 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 3h90 h ALA 85 Cb 0.93 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3h90 h ALA 85 CO -0.25 -0.72 -0.17 1.96 0.00 0.00 0.00 179.25 180.07 3h90 h GLN 86 N -0.36 0.79 -0.55 0.00 4.20 0.24 -2.84 115.11 116.58 3h90 h GLN 86 Ca 0.03 -0.34 0.07 0.00 0.06 0.00 0.00 58.65 58.47 3h90 h GLN 86 Cb 0.39 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3h90 h GLN 86 CO -0.12 0.96 0.37 0.66 -0.67 0.00 0.00 178.83 180.03 3h90 h SER 87 N 0.59 0.41 -0.17 1.46 4.64 -0.35 0.42 113.55 120.56 3h90 h SER 87 Ca 0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3h90 h SER 87 Cb 0.72 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3h90 h SER 87 CO 0.05 0.26 -0.17 0.24 -0.87 0.00 0.00 176.83 176.34 3h90 h MET 88 N 0.46 0.42 -0.17 4.77 2.86 -1.28 0.91 114.93 122.90 3h90 h MET 88 Ca 0.24 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3h90 h MET 88 Cb 0.36 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3h90 h MET 88 CO -0.07 0.79 -0.41 0.74 1.06 0.00 0.00 176.91 179.02 3h90 h PHE 89 N 0.06 0.47 0.05 -0.22 0.05 -1.08 0.07 116.94 116.34 3h90 h PHE 89 Ca 0.03 -0.13 -0.24 0.00 3.82 0.00 0.00 57.97 61.44 3h90 h PHE 89 Cb 0.71 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.56 3h90 h PHE 89 CO 0.08 0.75 -1.04 0.82 -0.18 0.00 0.00 178.31 178.74 3h90 h ILE 90 N 0.33 1.45 0.00 -0.55 2.04 -0.26 -2.59 117.51 117.94 3h90 h ILE 90 Ca 0.03 -2.70 -0.01 0.00 1.00 0.00 0.00 64.86 63.18 3h90 h ILE 90 Cb 0.86 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.56 3h90 h ILE 90 CO 0.07 0.80 -0.05 -1.28 0.00 0.00 0.00 178.15 177.69 3h90 h SER 91 N 0.15 0.00 0.00 1.72 0.87 -0.56 -2.68 113.55 113.05 3h90 h SER 91 Ca -0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3h90 h SER 91 Cb 1.71 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.67 3h90 h SER 91 CO 0.17 0.05 -0.02 1.23 -0.53 0.00 0.00 176.83 177.73 3h90 h GLY 92 N 1.49 0.00 1.38 5.77 0.00 -0.88 -3.18 103.07 107.64 3h90 h GLY 92 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3h90 h GLY 92 CO 0.01 0.00 0.26 1.76 0.00 0.00 0.00 176.54 178.56 3h90 h SER 93 N -1.00 0.00 0.65 0.19 0.02 -1.45 -0.82 113.55 111.13 3h90 h SER 93 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 3h90 h SER 93 Cb 0.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3h90 h SER 93 CO -0.00 0.00 -1.41 0.00 -1.14 0.00 0.00 176.83 174.27 3h90 h ALA 94 N 1.68 0.47 0.01 3.77 0.00 -1.59 -2.15 119.26 121.45 3h90 h ALA 94 Ca 0.10 -1.17 -0.22 0.00 0.00 0.00 0.00 54.91 53.62 3h90 h ALA 94 Cb 0.61 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3h90 h ALA 94 CO -0.00 1.33 -0.94 1.25 0.00 0.00 0.00 179.25 180.89 3h90 h LEU 95 N 0.02 0.44 -0.77 0.00 6.46 -1.39 -1.92 115.31 118.15 3h90 h LEU 95 Ca -0.18 -0.36 0.06 0.00 -0.12 0.00 0.00 57.88 57.28 3h90 h LEU 95 Cb 1.93 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 41.67 3h90 h LEU 95 CO 0.12 1.17 0.46 0.15 -0.62 0.00 0.00 178.44 179.72 3h90 h PHE 96 N 0.18 0.85 0.00 1.25 3.57 -1.21 -1.05 116.94 120.53 3h90 h PHE 96 Ca -0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3h90 h PHE 96 Cb 1.58 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.05 3h90 h PHE 96 CO 0.05 0.43 -0.50 1.25 -2.23 0.00 0.00 178.31 177.31 3h90 h LEU 97 N 0.85 0.00 0.19 0.59 5.85 -1.38 -2.16 115.31 119.25 3h90 h LEU 97 Ca 0.33 -0.07 -0.31 0.00 0.84 0.00 0.00 57.88 58.68 3h90 h LEU 97 Cb 0.16 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.21 3h90 h LEU 97 CO -0.17 0.03 -1.40 0.15 -0.34 0.00 0.00 178.44 176.71 3h90 h PHE 98 N 0.00 0.72 0.00 1.25 3.57 -1.10 -2.03 116.94 119.35 3h90 h PHE 98 Ca 0.00 -0.53 -0.08 0.00 3.53 0.00 0.00 57.97 60.89 3h90 h PHE 98 Cb 0.88 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3h90 h PHE 98 CO 0.00 1.44 -0.39 -0.07 -2.23 0.00 0.00 178.31 177.06 3h90 h LEU 99 N 0.11 0.00 -0.73 0.59 -0.00 -1.25 -1.91 115.31 112.12 3h90 h LEU 99 Ca -0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.56 3h90 h LEU 99 Cb 2.07 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.72 3h90 h LEU 99 CO 0.23 0.39 -0.53 0.74 -0.00 0.00 0.00 178.44 179.27 3h90 h THR 100 N 0.00 1.18 -0.61 0.22 2.02 -1.45 -1.22 112.91 113.06 3h90 h THR 100 Ca -0.00 -1.97 -0.03 0.00 0.77 0.00 0.00 66.41 65.17 3h90 h THR 100 Cb 1.01 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.52 3h90 h THR 100 CO 0.05 0.52 0.26 1.23 0.37 0.00 0.00 175.52 177.95 3h90 h GLY 101 N 2.15 0.97 1.19 2.16 0.00 -0.58 -2.54 103.07 106.42 3h90 h GLY 101 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3h90 h GLY 101 CO 0.07 0.49 -0.67 0.16 0.00 0.00 0.00 176.54 176.58 3h90 h ILE 102 N 0.85 0.00 0.00 2.60 3.07 -1.53 -3.31 117.51 119.19 3h90 h ILE 102 Ca 0.20 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.95 3h90 h ILE 102 Cb 0.18 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.99 3h90 h ILE 102 CO -0.02 0.00 0.00 1.67 -1.05 0.00 0.00 178.15 178.75 3h90 n GLN 103 N -2.33 0.00 -1.36 0.16 7.27 -0.46 -3.36 117.38 117.30 3h90 n GLN 103 Ca 0.02 0.35 -0.23 0.00 0.07 0.00 0.00 57.00 57.21 3h90 n GLN 103 Cb 0.48 -1.27 -0.09 0.00 2.41 0.00 0.00 30.24 31.76 3h90 n GLN 103 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 3h90 n HIS 104 N -1.54 1.15 -0.63 3.69 1.44 -0.98 -3.83 115.22 114.52 3h90 n HIS 104 Ca 0.00 -1.83 -0.07 0.00 -2.01 0.00 0.00 57.72 53.81 3h90 n HIS 104 Cb 0.00 -1.45 -0.10 0.00 0.12 0.00 0.00 29.99 28.56 3h90 n HIS 104 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3h90 n LEU 105 N 1.37 3.59 -3.79 2.39 0.00 -1.21 -4.50 117.00 114.84 3h90 n LEU 105 Ca 0.47 -2.23 -0.25 0.00 0.00 0.00 0.00 56.01 54.01 3h90 n LEU 105 Cb 0.65 -0.94 0.03 0.00 0.00 0.00 0.00 43.42 43.16 3h90 n LEU 105 CO 0.28 0.95 0.00 -0.38 0.00 0.00 0.00 177.39 178.24 3h90 n ILE 106 N 2.51 -3.49 -0.08 1.96 5.41 -1.26 -4.96 119.36 119.45 3h90 n ILE 106 Ca 0.25 -0.30 -0.14 0.00 1.00 0.00 0.00 62.75 63.56 3h90 n ILE 106 Cb 0.58 -3.41 -0.10 0.00 -0.71 0.00 0.00 39.64 36.01 3h90 n ILE 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3h90 h SER 107 N -1.97 0.00 0.00 4.38 0.02 -1.79 -3.42 113.55 110.77 3h90 h SER 107 Ca -0.60 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 59.69 3h90 h SER 107 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3h90 h SER 107 CO 0.61 1.07 0.00 -2.65 -1.14 0.00 0.00 176.83 174.71 3h90 n PRO 108 N -4.58 0.00 -3.63 3.45 -0.02 -1.26 -5.09 135.00 123.87 3h90 n PRO 108 Ca -0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 3h90 n PRO 108 Cb 0.47 -0.15 -0.03 0.00 -0.02 0.00 0.00 33.50 33.76 3h90 n PRO 108 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3h90 s THR 109 N 0.00 0.00 -0.67 3.45 -1.32 -1.26 -5.08 115.64 110.76 3h90 s THR 109 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 3h90 s THR 109 Cb 0.00 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.86 3h90 s THR 109 CO 0.00 0.00 2.43 -2.65 -2.21 0.00 0.00 174.62 172.19 3h90 n PRO 110 N 0.30 0.71 -0.02 7.08 -0.02 -1.26 -4.77 135.00 137.03 3h90 n PRO 110 Ca 0.01 -0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.28 3h90 n PRO 110 Cb 0.58 -3.15 -0.15 0.00 -0.02 0.00 0.00 33.50 30.76 3h90 n PRO 110 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3h90 n MET 111 N 8.67 0.66 -1.10 -0.52 2.81 -1.26 -4.58 117.12 121.80 3h90 n MET 111 Ca 0.45 -0.08 -0.34 0.00 -1.81 0.00 0.00 57.70 55.92 3h90 n MET 111 Cb 0.43 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 3h90 n MET 111 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3h90 n THR 112 N -2.48 2.78 -0.04 2.03 -1.04 -1.26 -4.40 114.28 109.86 3h90 n THR 112 Ca -0.12 -1.93 -0.11 0.00 -2.04 0.00 0.00 64.05 59.85 3h90 n THR 112 Cb 0.75 -2.34 -0.14 0.00 -1.82 0.00 0.00 70.33 66.77 3h90 n THR 112 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3h90 n ASP 113 N 5.22 0.93 -4.51 8.00 10.43 -1.26 -4.91 116.55 130.45 3h90 n ASP 113 Ca 0.53 0.26 -0.52 0.00 2.57 0.00 0.00 54.79 57.63 3h90 n ASP 113 Cb 0.26 0.03 -0.07 0.00 1.84 0.00 0.00 41.12 43.18 3h90 n ASP 113 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3h90 n PRO 114 N -3.06 1.14 -0.58 -0.24 -0.02 -1.26 -4.78 135.00 126.20 3h90 n PRO 114 Ca -0.24 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 3h90 n PRO 114 Cb 1.07 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 3h90 n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h90 n GLY 115 N 5.95 2.19 3.75 -1.23 0.00 -1.26 -4.91 105.19 109.67 3h90 n GLY 115 Ca 0.37 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3h90 n GLY 115 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h90 n VAL 116 N 2.48 3.28 -0.98 1.61 0.24 -1.26 -4.64 118.33 119.06 3h90 n VAL 116 Ca 0.22 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 3h90 n VAL 116 Cb 0.54 -1.73 -0.10 0.00 -1.47 0.00 0.00 33.84 31.08 3h90 n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h90 n GLY 117 N 0.69 -0.21 0.00 7.63 0.00 -1.26 -4.67 105.19 107.36 3h90 n GLY 117 Ca 0.08 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3h90 n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3h90 n VAL 118 N 3.85 0.00 0.27 1.61 3.14 -1.26 -3.09 118.33 122.84 3h90 n VAL 118 Ca 0.29 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.84 3h90 n VAL 118 Cb 0.23 -0.45 0.86 0.00 -1.06 0.00 0.00 33.84 33.42 3h90 n VAL 118 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 3h90 h ILE 119 N 0.00 0.00 0.43 1.55 -2.65 -1.99 -1.85 117.51 113.00 3h90 h ILE 119 Ca 0.00 -0.06 -0.02 0.00 1.03 0.00 0.00 64.86 65.81 3h90 h ILE 119 Cb 0.00 0.83 0.00 0.00 -2.05 0.00 0.00 36.82 35.60 3h90 h ILE 119 CO 0.00 0.00 -0.21 -0.37 0.03 0.00 0.00 178.15 177.60 3h90 h VAL 120 N 0.00 0.18 0.00 0.16 -1.51 -1.90 -2.95 116.25 110.22 3h90 h VAL 120 Ca 0.00 -0.60 -0.04 0.00 -1.23 0.00 0.00 66.70 64.83 3h90 h VAL 120 Cb 0.07 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 29.51 3h90 h VAL 120 CO 0.00 0.04 -0.17 0.71 -1.23 0.00 0.00 177.57 176.91 3h90 h THR 121 N -1.10 0.64 -0.01 7.19 1.35 -1.63 0.73 112.91 120.08 3h90 h THR 121 Ca -0.06 -0.76 -0.20 0.00 -0.55 0.00 0.00 66.41 64.84 3h90 h THR 121 Cb 0.51 1.49 0.02 0.00 -1.73 0.00 0.00 68.15 68.43 3h90 h THR 121 CO 0.10 0.17 -0.76 0.16 -0.25 0.00 0.00 175.52 174.94 3h90 h ILE 122 N 0.00 1.36 -0.48 6.82 3.07 -1.54 -1.87 117.51 124.88 3h90 h ILE 122 Ca -0.00 -2.12 -0.03 0.00 1.55 0.00 0.00 64.86 64.26 3h90 h ILE 122 Cb 0.47 2.48 -0.02 0.00 -0.27 0.00 0.00 36.82 39.48 3h90 h ILE 122 CO 0.02 0.64 0.19 0.58 -1.05 0.00 0.00 178.15 178.53 3h90 h VAL 123 N 0.11 1.21 -0.50 0.16 2.07 -1.21 -1.48 116.25 116.61 3h90 h VAL 123 Ca -0.09 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 66.86 3h90 h VAL 123 Cb 1.45 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 3h90 h VAL 123 CO 0.15 0.25 -0.34 0.00 0.02 0.00 0.00 177.57 177.65 3h90 h ALA 124 N 1.04 -0.13 0.08 1.67 0.00 0.41 -0.64 119.26 121.70 3h90 h ALA 124 Ca 0.16 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3h90 h ALA 124 Cb 0.20 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3h90 h ALA 124 CO -0.01 -0.71 -0.48 -0.07 0.00 0.00 0.00 179.25 177.98 3h90 h LEU 125 N -0.21 -1.44 -1.14 0.00 4.07 -1.15 -1.72 115.31 113.72 3h90 h LEU 125 Ca 0.20 0.16 0.08 0.00 0.08 0.00 0.00 57.88 58.40 3h90 h LEU 125 Cb 0.55 0.54 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 3h90 h LEU 125 CO -0.61 -0.52 0.59 -0.29 -1.08 0.00 0.00 178.44 176.53 3h90 h ILE 126 N -0.69 1.01 0.00 1.22 2.10 -0.07 0.83 117.51 121.92 3h90 h ILE 126 Ca 0.02 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3h90 h ILE 126 Cb 0.72 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 3h90 h ILE 126 CO -0.29 0.18 -1.01 0.00 -1.08 0.00 0.00 178.15 175.94 3h90 h THR 128 N 0.00 1.42 -0.67 0.00 2.02 -0.31 -2.66 112.91 112.72 3h90 h THR 128 Ca 0.00 -2.06 0.14 0.00 0.77 0.00 0.00 66.41 65.27 3h90 h THR 128 Cb 1.00 2.57 -0.11 0.00 -1.74 0.00 0.00 68.15 69.87 3h90 h THR 128 CO 0.00 0.60 0.09 0.40 0.37 0.00 0.00 175.52 176.97 3h90 h ILE 129 N -0.09 0.51 -0.06 3.11 1.08 0.54 -0.35 117.51 122.24 3h90 h ILE 129 Ca -0.07 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 3h90 h ILE 129 Cb 1.29 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 3h90 h ILE 129 CO 0.12 0.03 -0.16 0.40 -0.69 0.00 0.00 178.15 177.85 3h90 h ILE 130 N 0.19 0.60 0.58 -0.67 1.08 -1.51 -2.85 117.51 114.94 3h90 h ILE 130 Ca 0.36 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.81 3h90 h ILE 130 Cb 0.61 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 3h90 h ILE 130 CO -0.52 0.00 -0.36 0.25 -0.69 0.00 0.00 178.15 176.83 3h90 h LEU 131 N -0.23 -0.92 -1.67 1.44 6.46 -1.00 -2.68 115.31 116.70 3h90 h LEU 131 Ca 0.07 0.05 0.39 0.00 -0.12 0.00 0.00 57.88 58.27 3h90 h LEU 131 Cb 0.33 0.27 -0.09 0.00 -0.73 0.00 0.00 40.66 40.44 3h90 h LEU 131 CO -0.19 -0.56 0.91 0.58 -0.62 0.00 0.00 178.44 178.56 3h90 h VAL 132 N -0.89 0.28 0.23 1.05 2.07 -1.07 0.38 116.25 118.31 3h90 h VAL 132 Ca -0.08 -0.04 -0.33 0.00 0.82 0.00 0.00 66.70 67.07 3h90 h VAL 132 Cb 0.71 0.15 0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3h90 h VAL 132 CO 0.08 0.02 -1.44 0.28 0.02 0.00 0.00 177.57 176.53 3h90 h SER 133 N 0.12 0.83 -0.39 0.57 0.02 -1.41 0.25 113.55 113.54 3h90 h SER 133 Ca 0.71 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3h90 h SER 133 Cb 2.44 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.69 3h90 h SER 133 CO -0.20 1.68 0.26 0.15 -1.14 0.00 0.00 176.83 177.58 3h90 h PHE 134 N 0.16 0.49 -0.10 3.45 3.57 -0.07 0.21 116.94 124.66 3h90 h PHE 134 Ca -0.24 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.31 3h90 h PHE 134 Cb 2.13 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 40.65 3h90 h PHE 134 CO 0.12 0.32 -0.23 1.96 -2.23 0.00 0.00 178.31 178.25 3h90 h GLN 135 N 0.53 -0.29 -0.66 1.11 4.20 -0.64 -1.30 115.11 118.06 3h90 h GLN 135 Ca 0.14 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.97 3h90 h GLN 135 Cb -0.06 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3h90 h GLN 135 CO -0.03 -0.20 0.44 0.00 -0.67 0.00 0.00 178.83 178.37 3h90 h ARG 136 N -0.31 0.48 -0.30 1.46 3.08 -0.13 0.34 114.38 119.01 3h90 h ARG 136 Ca 0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3h90 h ARG 136 Cb 0.44 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3h90 h ARG 136 CO -0.28 0.32 0.11 2.35 -1.07 0.00 0.00 179.97 181.40 3h90 h TRP 137 N 0.50 0.47 -0.45 3.04 7.01 0.51 -1.53 115.95 125.50 3h90 h TRP 137 Ca 0.31 -0.04 -0.13 0.00 2.11 0.00 0.00 58.89 61.14 3h90 h TRP 137 Cb 0.53 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 3h90 h TRP 137 CO -0.00 0.48 -0.22 0.28 -2.79 0.00 0.00 178.44 176.19 3h90 h VAL 138 N 0.33 1.27 -0.74 2.65 2.07 -0.60 -1.25 116.25 119.97 3h90 h VAL 138 Ca 0.10 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.37 3h90 h VAL 138 Cb 0.22 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 3h90 h VAL 138 CO -0.01 0.47 0.32 0.58 0.02 0.00 0.00 177.57 178.95 3h90 h VAL 139 N 0.77 0.71 -0.25 2.57 2.07 -0.86 0.41 116.25 121.67 3h90 h VAL 139 Ca 0.10 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3h90 h VAL 139 Cb 0.79 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3h90 h VAL 139 CO 0.07 0.09 -0.07 -0.09 0.02 0.00 0.00 177.57 177.59 3h90 h ARG 140 N 0.49 0.48 -0.51 1.57 2.43 -1.11 -3.29 114.38 114.44 3h90 h ARG 140 Ca 0.40 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 3h90 h ARG 140 Cb 0.56 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3h90 h ARG 140 CO -0.37 0.71 -0.14 0.00 -1.51 0.00 0.00 179.97 178.66 3h90 h ARG 141 N 0.22 0.98 -3.26 0.20 2.47 -0.46 -3.42 114.38 111.10 3h90 h ARG 141 Ca 0.06 -0.37 -0.34 0.00 -1.26 0.00 0.00 59.98 58.07 3h90 h ARG 141 Cb 0.53 -0.06 -0.38 0.00 -1.65 0.00 0.00 29.97 28.42 3h90 h ARG 141 CO 0.03 1.04 -0.71 -0.08 0.56 0.00 0.00 179.97 180.81 3h90 s THR 142 N -4.79 -0.15 -1.39 2.04 -1.32 0.14 -5.04 115.64 105.14 3h90 s THR 142 Ca -0.11 0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 3h90 s THR 142 Cb 0.13 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.93 3h90 s THR 142 CO 0.86 0.17 0.03 0.00 -2.21 0.00 0.00 174.62 173.46 3h90 n GLN 143 N 5.24 0.04 -1.42 7.08 1.13 -1.24 -4.07 117.38 124.13 3h90 n GLN 143 Ca -0.05 0.00 -0.47 0.00 -1.94 0.00 0.00 57.00 54.54 3h90 n GLN 143 Cb 0.50 -1.01 -0.14 0.00 0.11 0.00 0.00 30.24 29.70 3h90 n GLN 143 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3h90 n SER 144 N 0.10 0.44 -0.35 1.08 2.88 -1.26 -4.85 113.62 111.67 3h90 n SER 144 Ca 0.00 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 3h90 n SER 144 Cb 0.01 -0.92 0.06 0.00 -0.75 0.00 0.00 64.21 62.61 3h90 n SER 144 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3h90 h GLN 145 N 11.10 -0.02 -0.20 -1.46 1.08 -1.92 -0.80 115.11 122.88 3h90 h GLN 145 Ca -0.07 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3h90 h GLN 145 Cb 1.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 3h90 h GLN 145 CO 1.30 -0.01 0.11 0.00 -0.95 0.00 0.00 178.83 179.28 3h90 h ALA 146 N 1.48 0.25 0.00 3.87 0.00 -1.89 -2.64 119.26 120.33 3h90 h ALA 146 Ca 0.36 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3h90 h ALA 146 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3h90 h ALA 146 CO -0.95 -0.23 -0.47 -0.39 0.00 0.00 0.00 179.25 177.22 3h90 h VAL 147 N 0.23 0.84 -0.24 0.00 -1.51 -1.88 -2.91 116.25 110.77 3h90 h VAL 147 Ca 0.07 -2.06 -0.02 0.00 -1.23 0.00 0.00 66.70 63.46 3h90 h VAL 147 Cb 0.05 2.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 3h90 h VAL 147 CO -0.01 0.46 0.06 -0.09 -1.23 0.00 0.00 177.57 176.76 3h90 h ARG 148 N 0.00 0.38 0.02 5.19 2.43 -1.01 0.03 114.38 121.43 3h90 h ARG 148 Ca -0.00 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3h90 h ARG 148 Cb 1.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3h90 h ARG 148 CO 0.06 0.48 -0.04 0.00 -1.51 0.00 0.00 179.97 178.96 3h90 h ALA 149 N 0.88 -0.06 -0.22 2.80 0.00 -1.46 0.08 119.26 121.29 3h90 h ALA 149 Ca 0.08 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h90 h ALA 149 Cb 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3h90 h ALA 149 CO 0.00 -0.54 0.15 0.22 0.00 0.00 0.00 179.25 179.07 3h90 h ASP 150 N -0.09 0.19 -0.19 0.00 3.58 -1.40 -0.76 116.42 117.76 3h90 h ASP 150 Ca 0.01 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 3h90 h ASP 150 Cb 0.10 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 3h90 h ASP 150 CO -0.03 0.13 -0.10 -0.03 -2.88 0.00 0.00 179.24 176.33 3h90 h MET 151 N 0.22 0.40 -0.75 0.28 4.05 -0.46 -3.24 114.93 115.44 3h90 h MET 151 Ca 0.09 -0.18 0.17 0.00 -0.28 0.00 0.00 59.70 59.49 3h90 h MET 151 Cb 0.08 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 30.75 3h90 h MET 151 CO -0.02 0.71 0.17 1.25 0.23 0.00 0.00 176.91 179.25 3h90 h LEU 152 N 0.09 -0.01 -0.16 3.39 5.85 0.55 0.39 115.31 125.42 3h90 h LEU 152 Ca 0.04 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3h90 h LEU 152 Cb 0.59 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3h90 h LEU 152 CO 0.03 -0.06 0.07 -0.74 -0.34 0.00 0.00 178.44 177.40 3h90 h HIS 153 N 0.25 0.12 -0.06 1.25 2.76 -1.58 -1.99 115.15 115.90 3h90 h HIS 153 Ca 0.43 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.57 3h90 h HIS 153 Cb 0.75 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3h90 h HIS 153 CO -0.27 0.07 -0.14 1.88 -1.30 0.00 0.00 177.93 178.16 3h90 h TYR 154 N 0.15 0.09 -0.06 5.26 -1.99 -0.68 0.45 116.97 120.20 3h90 h TYR 154 Ca 0.07 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 3h90 h TYR 154 Cb 0.03 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 3h90 h TYR 154 CO -0.10 0.24 0.00 1.96 -0.00 0.00 0.00 178.16 180.26 3h90 h GLN 155 N 0.09 0.08 0.00 4.88 4.20 0.19 0.38 115.11 124.93 3h90 h GLN 155 Ca 0.02 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 3h90 h GLN 155 Cb 0.31 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3h90 h GLN 155 CO 0.02 0.09 -0.90 0.77 -0.67 0.00 0.00 178.83 178.13 3h90 h SER 156 N 0.08 0.38 0.21 1.46 0.02 -0.26 -3.03 113.55 112.41 3h90 h SER 156 Ca 0.02 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 3h90 h SER 156 Cb 0.05 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3h90 h SER 156 CO 0.00 1.10 -0.36 0.44 -1.14 0.00 0.00 176.83 176.88 3h90 h ASP 157 N 0.16 0.21 0.37 3.07 5.19 -0.13 -2.09 116.42 123.21 3h90 h ASP 157 Ca -0.06 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.23 3h90 h ASP 157 Cb 1.53 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 3h90 h ASP 157 CO 0.15 0.56 -0.21 0.58 -3.12 0.00 0.00 179.24 177.20 3h90 h VAL 158 N 0.18 0.87 0.00 -1.35 2.07 -0.29 -3.24 116.25 114.49 3h90 h VAL 158 Ca 0.02 -0.79 -0.54 0.00 0.82 0.00 0.00 66.70 66.20 3h90 h VAL 158 Cb 0.72 1.47 0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3h90 h VAL 158 CO 0.05 0.20 2.51 0.23 0.02 0.00 0.00 177.57 180.58 3h90 n MET 159 N -3.89 1.86 -4.65 1.57 2.81 -0.79 -4.86 117.12 109.17 3h90 n MET 159 Ca -0.02 -1.74 -0.33 0.00 -1.81 0.00 0.00 57.70 53.80 3h90 n MET 159 Cb 0.30 -2.75 -0.13 0.00 -0.71 0.00 0.00 33.22 29.93 3h90 n MET 159 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 3h90 s MET 160 N 4.19 3.40 -0.88 0.03 1.75 -1.22 -5.02 119.30 121.54 3h90 s MET 160 Ca 0.50 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 54.32 3h90 s MET 160 Cb 0.13 -2.71 0.28 0.00 2.84 0.00 0.00 34.83 35.37 3h90 s MET 160 CO 0.04 0.27 1.16 0.09 -0.65 0.00 0.00 175.02 175.94 3h90 n ASN 161 N 3.38 5.27 -1.69 1.11 4.13 -1.26 -4.47 115.26 121.74 3h90 n ASN 161 Ca -0.18 -3.44 -0.13 0.00 1.68 0.00 0.00 54.58 52.52 3h90 n ASN 161 Cb 0.53 -1.00 0.05 0.00 -1.54 0.00 0.00 39.78 37.82 3h90 n ASN 161 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h90 n GLY 162 N 1.08 3.50 0.32 7.41 0.00 -1.26 -3.61 105.19 112.63 3h90 n GLY 162 Ca 0.28 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.65 3h90 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h90 n ALA 163 N 0.15 2.48 -2.66 4.61 0.00 -1.26 -5.01 120.51 118.81 3h90 n ALA 163 Ca 0.26 -2.45 -0.43 0.00 0.00 0.00 0.00 53.44 50.82 3h90 n ALA 163 Cb 0.78 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 3h90 n ALA 163 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3h90 s ILE 164 N -2.28 4.70 0.23 0.00 -4.36 -1.24 -5.00 121.20 113.24 3h90 s ILE 164 Ca 0.28 2.02 -0.32 0.00 -0.26 0.00 0.00 60.65 62.37 3h90 s ILE 164 Cb 0.25 -4.30 -0.13 0.00 1.25 0.00 0.00 42.46 39.53 3h90 s ILE 164 CO -0.00 -0.12 1.57 0.18 0.24 0.00 0.00 174.94 176.81 3h90 n LEU 165 N 5.88 3.63 -0.02 0.37 4.77 -1.26 -4.90 117.00 125.47 3h90 n LEU 165 Ca 0.11 1.11 -0.02 0.00 -0.03 0.00 0.00 56.01 57.18 3h90 n LEU 165 Cb 0.47 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 3h90 n LEU 165 CO 0.52 -0.12 -0.63 0.00 -1.33 0.00 0.00 177.39 175.83 3h90 n LEU 166 N 2.89 0.00 -0.07 2.23 -0.00 -1.26 -3.56 117.00 117.24 3h90 n LEU 166 Ca 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.07 3h90 n LEU 166 Cb 0.33 0.10 -0.05 0.00 -0.00 0.00 0.00 43.42 43.80 3h90 n LEU 166 CO 0.63 0.10 -0.08 0.00 -0.00 0.00 0.00 177.39 178.05 3h90 h ALA 167 N 0.22 0.04 0.00 1.47 0.00 -2.02 -3.32 119.26 115.65 3h90 h ALA 167 Ca -0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 3h90 h ALA 167 Cb 1.21 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3h90 h ALA 167 CO 0.01 0.23 -0.47 -0.07 0.00 0.00 0.00 179.25 178.94 3h90 h LEU 168 N -1.00 0.00 0.00 0.00 -0.00 -1.99 -3.48 115.31 108.84 3h90 h LEU 168 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 3h90 h LEU 168 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 3h90 h LEU 168 CO -0.03 0.47 0.00 0.61 -0.00 0.00 0.00 178.44 179.49 3h90 n GLY 169 N -0.01 3.48 0.00 0.83 0.00 -1.23 -4.22 105.19 104.04 3h90 n GLY 169 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3h90 n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h90 n LEU 170 N 0.00 0.00 -3.54 0.99 4.32 -1.26 -4.47 117.00 113.05 3h90 n LEU 170 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 3h90 n LEU 170 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 3h90 n LEU 170 CO 0.00 0.00 0.65 -0.44 -1.22 0.00 0.00 177.39 176.38 3h90 s SER 171 N -1.50 -0.45 -0.05 -1.43 0.01 -1.26 -4.69 113.70 104.33 3h90 s SER 171 Ca 0.00 0.35 -0.33 0.00 1.31 0.00 0.00 55.95 57.28 3h90 s SER 171 Cb 0.00 0.40 -0.11 0.00 0.21 0.00 0.00 66.02 66.51 3h90 s SER 171 CO 0.00 -0.51 1.89 0.79 0.41 0.00 0.00 173.24 175.82 3h90 n TRP 172 N 0.46 2.37 -1.64 2.43 8.01 -1.26 -4.78 117.44 123.04 3h90 n TRP 172 Ca -0.12 -0.08 -0.45 0.00 -1.31 0.00 0.00 57.50 55.54 3h90 n TRP 172 Cb 0.59 -2.69 -0.03 0.00 -2.01 0.00 0.00 31.31 27.17 3h90 n TRP 172 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3h90 n TYR 173 N 6.68 1.79 0.00 -5.99 4.01 -1.26 -3.51 117.16 118.88 3h90 n TYR 173 Ca 0.22 0.56 0.00 0.00 -0.16 0.00 0.00 57.90 58.52 3h90 n TYR 173 Cb 0.32 -2.37 0.00 0.00 -0.31 0.00 0.00 39.34 36.98 3h90 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h90 n GLY 174 N 1.75 2.73 2.76 2.72 0.00 -1.26 -4.98 105.19 108.91 3h90 n GLY 174 Ca 0.11 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 3h90 n GLY 174 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3h90 n TRP 175 N 0.00 2.32 -1.11 1.61 -0.00 -1.23 -5.12 117.44 113.92 3h90 n TRP 175 Ca 0.00 -4.08 -0.32 0.00 -0.00 0.00 0.00 57.50 53.10 3h90 n TRP 175 Cb 0.00 -0.43 0.12 0.00 -0.00 0.00 0.00 31.31 31.00 3h90 n TRP 175 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 3h90 s HIS 176 N -1.19 2.06 -0.12 5.87 -3.43 -1.26 -4.60 115.29 112.62 3h90 s HIS 176 Ca 0.28 1.66 -0.14 0.00 -0.80 0.00 0.00 55.06 56.06 3h90 s HIS 176 Cb -0.01 -3.28 0.04 0.00 -1.43 0.00 0.00 32.58 27.90 3h90 s HIS 176 CO -0.17 -2.39 0.39 0.50 -2.00 0.00 0.00 174.74 171.07 3h90 s ARG 177 N -4.50 0.52 0.00 -0.38 3.52 -1.26 -4.88 118.95 111.96 3h90 s ARG 177 Ca 0.67 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 3h90 s ARG 177 Cb -0.23 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3h90 s ARG 177 CO 0.53 -0.09 0.00 0.00 -0.81 0.00 0.00 175.30 174.93 3h90 n ALA 178 N 2.53 0.00 0.21 6.12 0.00 -1.26 -4.57 120.51 123.53 3h90 n ALA 178 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.36 3h90 n ALA 178 Cb 0.57 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.46 3h90 n ALA 178 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h90 h ASP 179 N 0.00 0.00 -0.95 0.00 3.32 -2.00 -3.36 116.42 113.44 3h90 h ASP 179 Ca 0.00 0.00 0.25 0.00 0.02 0.00 0.00 57.03 57.30 3h90 h ASP 179 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 3h90 h ASP 179 CO 0.00 0.31 -0.01 0.00 -1.72 0.00 0.00 179.24 177.83 3h90 n ALA 180 N -2.35 0.46 -0.20 3.45 0.00 -1.26 -0.11 120.51 120.50 3h90 n ALA 180 Ca -0.01 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.36 3h90 n ALA 180 Cb 0.41 -0.73 0.05 0.00 0.00 0.00 0.00 19.45 19.18 3h90 n ALA 180 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3h90 h LEU 181 N 0.00 1.01 0.00 0.00 6.46 -1.88 -1.38 115.31 119.53 3h90 h LEU 181 Ca 0.56 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 58.03 3h90 h LEU 181 Cb 1.13 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.79 3h90 h LEU 181 CO -0.90 1.05 -0.12 -0.26 -0.62 0.00 0.00 178.44 177.60 3h90 h PHE 182 N 0.95 0.00 -0.07 1.25 -1.00 -1.07 -2.72 116.94 114.29 3h90 h PHE 182 Ca 0.17 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.97 3h90 h PHE 182 Cb 0.53 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 3h90 h PHE 182 CO 0.04 0.82 0.06 0.00 -1.61 0.00 0.00 178.31 177.61 3h90 h ALA 183 N -0.27 1.91 0.16 2.45 0.00 -0.58 -0.75 119.26 122.18 3h90 h ALA 183 Ca -0.03 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 3h90 h ALA 183 Cb 0.81 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.64 3h90 h ALA 183 CO -0.02 -0.09 -1.01 1.25 0.00 0.00 0.00 179.25 179.38 3h90 h LEU 184 N 0.00 0.60 -0.01 0.00 6.46 -1.39 -3.24 115.31 117.74 3h90 h LEU 184 Ca 0.03 -0.92 0.01 0.00 -0.12 0.00 0.00 57.88 56.88 3h90 h LEU 184 Cb 0.15 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3h90 h LEU 184 CO -0.00 1.48 -0.06 1.23 -0.62 0.00 0.00 178.44 180.47 3h90 h GLY 185 N -0.17 -0.06 0.55 3.75 0.00 -0.95 -2.38 103.07 103.80 3h90 h GLY 185 Ca -0.17 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.31 3h90 h GLY 185 CO 0.19 -0.07 0.31 -2.22 0.00 0.00 0.00 176.54 174.75 3h90 h ILE 186 N -0.11 0.88 -0.81 2.60 2.04 -1.36 -2.83 117.51 117.92 3h90 h ILE 186 Ca 0.03 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 65.84 3h90 h ILE 186 Cb 0.15 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.41 3h90 h ILE 186 CO -0.07 0.10 0.39 1.23 0.00 0.00 0.00 178.15 179.80 3h90 h GLY 187 N 0.56 1.29 0.98 5.37 0.00 -1.46 0.32 103.07 110.13 3h90 h GLY 187 Ca 0.30 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 3h90 h GLY 187 CO -0.23 -0.05 -0.55 -2.22 0.00 0.00 0.00 176.54 173.49 3h90 h ILE 188 N 0.57 1.33 0.04 2.60 2.04 -1.25 -2.44 117.51 120.41 3h90 h ILE 188 Ca 0.44 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 3h90 h ILE 188 Cb 0.63 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3h90 h ILE 188 CO -0.37 0.56 -0.02 0.22 0.00 0.00 0.00 178.15 178.54 3h90 h TYR 189 N 0.30 -0.06 -0.14 1.37 3.20 -1.22 -2.20 116.97 118.22 3h90 h TYR 189 Ca -0.03 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3h90 h TYR 189 Cb 1.18 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3h90 h TYR 189 CO 0.10 0.31 -0.44 0.82 -1.64 0.00 0.00 178.16 177.31 3h90 h ILE 190 N -0.43 1.32 0.10 1.81 1.08 -1.06 0.32 117.51 120.64 3h90 h ILE 190 Ca -0.01 -1.61 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 3h90 h ILE 190 Cb 0.39 1.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.83 3h90 h ILE 190 CO 0.01 0.49 -0.06 0.25 -0.69 0.00 0.00 178.15 178.15 3h90 h LEU 191 N 0.28 -0.14 -0.50 1.44 5.85 -1.47 0.20 115.31 120.97 3h90 h LEU 191 Ca 0.02 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3h90 h LEU 191 Cb 0.89 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3h90 h LEU 191 CO 0.07 -0.10 0.23 0.22 -0.34 0.00 0.00 178.44 178.53 3h90 h TYR 192 N -0.15 0.42 -0.66 1.25 3.20 -1.13 0.30 116.97 120.19 3h90 h TYR 192 Ca -0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3h90 h TYR 192 Cb 0.12 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3h90 h TYR 192 CO -0.08 0.18 0.26 1.03 -1.64 0.00 0.00 178.16 177.91 3h90 h SER 193 N 0.45 0.91 0.34 -2.11 0.87 0.01 -1.26 113.55 112.75 3h90 h SER 193 Ca 0.23 -0.17 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 3h90 h SER 193 Cb 0.18 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3h90 h SER 193 CO -0.19 0.83 -0.70 0.00 -0.53 0.00 0.00 176.83 176.25 3h90 h ALA 194 N 1.11 0.68 -0.47 6.23 0.00 -0.43 -2.07 119.26 124.32 3h90 h ALA 194 Ca 0.22 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3h90 h ALA 194 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h90 h ALA 194 CO -0.02 0.77 0.08 1.25 0.00 0.00 0.00 179.25 181.33 3h90 h LEU 195 N 0.22 0.74 -0.31 0.00 6.46 -0.66 0.22 115.31 121.99 3h90 h LEU 195 Ca -0.02 -0.26 -0.07 0.00 -0.12 0.00 0.00 57.88 57.41 3h90 h LEU 195 Cb 1.25 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 3h90 h LEU 195 CO 0.11 0.81 -0.07 -0.09 -0.62 0.00 0.00 178.44 178.59 3h90 h ARG 196 N 0.64 0.58 -0.22 1.25 9.65 -1.27 -2.03 114.38 122.99 3h90 h ARG 196 Ca 0.14 -0.22 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 3h90 h ARG 196 Cb 0.38 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 3h90 h ARG 196 CO 0.01 0.77 -0.20 1.98 2.80 0.00 0.00 179.97 185.33 3h90 h MET 197 N 0.36 -0.20 -0.18 0.20 4.05 -1.19 -2.04 114.93 115.92 3h90 h MET 197 Ca 0.08 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3h90 h MET 197 Cb 0.55 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 3h90 h MET 197 CO 0.03 -0.13 0.10 0.78 0.23 0.00 0.00 176.91 177.92 3h90 h GLY 198 N -0.21 0.24 0.48 1.39 0.00 -0.94 -2.46 103.07 101.57 3h90 h GLY 198 Ca 0.13 -0.07 0.15 0.00 0.00 0.00 0.00 47.33 47.53 3h90 h GLY 198 CO -0.34 0.07 0.58 -1.82 0.00 0.00 0.00 176.54 175.03 3h90 h TYR 199 N 0.21 0.84 -0.12 5.60 3.20 -1.01 0.25 116.97 125.94 3h90 h TYR 199 Ca 0.07 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 3h90 h TYR 199 Cb 0.00 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3h90 h TYR 199 CO -0.08 0.29 -0.47 0.93 -1.64 0.00 0.00 178.16 177.19 3h90 h GLU 200 N 0.69 0.30 0.28 1.82 5.08 -1.09 -2.09 114.58 119.57 3h90 h GLU 200 Ca 0.46 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3h90 h GLU 200 Cb 0.75 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3h90 h GLU 200 CO -0.22 0.71 -0.13 0.00 -1.00 0.00 0.00 179.01 178.37 3h90 h ALA 201 N 1.26 -0.37 0.00 3.43 0.00 -0.12 -2.38 119.26 121.09 3h90 h ALA 201 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3h90 h ALA 201 Cb 0.93 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h90 h ALA 201 CO 0.08 -0.63 -0.15 -0.39 0.00 0.00 0.00 179.25 178.16 3h90 h VAL 202 N -0.53 1.04 0.00 0.00 -1.51 -1.17 -0.60 116.25 113.48 3h90 h VAL 202 Ca -0.04 -0.53 -0.01 0.00 -1.23 0.00 0.00 66.70 64.90 3h90 h VAL 202 Cb 0.39 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.84 3h90 h VAL 202 CO 0.06 0.15 -0.05 -0.61 -1.23 0.00 0.00 177.57 175.89 3h90 h GLN 203 N 0.00 0.00 0.00 5.19 5.75 -1.13 0.53 115.11 125.44 3h90 h GLN 203 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3h90 h GLN 203 Cb 0.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 3h90 h GLN 203 CO 0.02 0.05 -1.57 0.43 -2.65 0.00 0.00 178.83 175.11 3h90 n SER 204 N -3.15 0.39 0.01 -0.69 7.64 -0.44 -3.14 113.62 114.24 3h90 n SER 204 Ca 0.01 0.15 -0.18 0.00 1.01 0.00 0.00 58.87 59.87 3h90 n SER 204 Cb 0.37 1.25 -0.11 0.00 -1.01 0.00 0.00 64.21 64.71 3h90 n SER 204 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3h90 h LEU 205 N 0.00 0.57-10.01 -3.43 3.38 -0.26 -3.40 115.31 102.16 3h90 h LEU 205 Ca -0.02 -0.76 -0.54 0.00 0.09 0.00 0.00 57.88 56.65 3h90 h LEU 205 Cb 1.06 -0.18 0.12 0.00 0.09 0.00 0.00 40.66 41.75 3h90 h LEU 205 CO 0.00 1.26 0.64 -0.76 0.09 0.00 0.00 178.44 179.66 3h90 s LEU 206 N -8.31 4.00 -1.28 1.67 1.02 0.18 -4.89 118.68 111.06 3h90 s LEU 206 Ca -0.13 2.78 -0.16 0.00 0.02 0.00 0.00 54.13 56.64 3h90 s LEU 206 Cb 0.04 -4.10 0.11 0.00 0.02 0.00 0.00 46.19 42.25 3h90 s LEU 206 CO 0.83 -1.29 1.67 0.47 0.02 0.00 0.00 176.35 178.05 3h90 n ASP 207 N -0.54 4.98 -4.77 2.29 10.43 -1.26 -4.76 116.55 122.91 3h90 n ASP 207 Ca 0.07 -2.94 -0.38 0.00 2.57 0.00 0.00 54.79 54.12 3h90 n ASP 207 Cb 0.44 -1.68 -0.05 0.00 1.84 0.00 0.00 41.12 41.67 3h90 n ASP 207 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3h90 s ARG 208 N 3.14 4.43 0.97 -1.24 3.52 -1.19 -4.89 118.95 123.69 3h90 s ARG 208 Ca 0.49 1.51 -0.11 0.00 -0.13 0.00 0.00 55.73 57.50 3h90 s ARG 208 Cb 0.03 -2.79 0.18 0.00 -1.56 0.00 0.00 34.95 30.80 3h90 s ARG 208 CO 0.04 0.10 1.11 0.00 -0.81 0.00 0.00 175.30 175.74 3h90 s ALA 209 N -1.52 1.01 0.79 6.12 0.00 -1.25 -4.32 121.76 122.60 3h90 s ALA 209 Ca 0.52 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3h90 s ALA 209 Cb -0.23 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.59 3h90 s ALA 209 CO 0.29 -2.96 1.11 -0.51 0.00 0.00 0.00 175.76 173.69 3h90 s LEU 210 N -6.70 3.03 0.39 0.00 1.43 -1.26 -4.85 118.68 110.72 3h90 s LEU 210 Ca 0.67 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 55.42 3h90 s LEU 210 Cb -0.23 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.35 3h90 s LEU 210 CO 0.59 -2.24 1.49 -2.84 0.23 0.00 0.00 176.35 173.58 3h90 s PRO 211 N -4.77 4.01 0.40 1.29 0.02 -1.26 -4.72 135.00 129.98 3h90 s PRO 211 Ca 0.63 2.57 0.25 0.00 0.02 0.00 0.00 61.00 64.46 3h90 s PRO 211 Cb -0.19 -2.90 1.32 0.00 0.02 0.00 0.00 34.50 32.75 3h90 s PRO 211 CO 0.55 -0.61 1.63 -0.44 -0.33 0.00 0.00 177.00 177.80 3h90 h ASP 212 N 2.85 0.33 0.27 2.53 5.19 -1.99 0.13 116.42 125.73 3h90 h ASP 212 Ca -0.51 0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.07 3h90 h ASP 212 Cb 1.24 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.87 3h90 h ASP 212 CO 0.63 -0.21 -0.41 -0.08 -3.12 0.00 0.00 179.24 176.05 3h90 h GLU 213 N 0.13 -0.72 -0.49 3.56 4.57 -2.00 -0.88 114.58 118.77 3h90 h GLU 213 Ca 0.80 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.99 3h90 h GLU 213 Cb 2.27 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 31.00 3h90 h GLU 213 CO -0.52 -0.48 0.17 0.93 -1.18 0.00 0.00 179.01 177.93 3h90 h GLU 214 N -0.75 0.71 -0.51 1.92 5.08 -1.11 -1.95 114.58 117.97 3h90 h GLU 214 Ca -0.01 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 3h90 h GLU 214 Cb 0.71 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3h90 h GLU 214 CO -0.15 0.60 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.34 3h90 h ARG 215 N 0.70 0.88 -0.22 2.33 2.43 -1.16 -2.74 114.38 116.60 3h90 h ARG 215 Ca 0.17 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 3h90 h ARG 215 Cb 0.18 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3h90 h ARG 215 CO -0.01 0.89 -0.16 0.37 -1.51 0.00 0.00 179.97 179.55 3h90 h GLN 216 N 0.81 0.49 -0.54 0.20 5.75 -0.50 -2.53 115.11 118.79 3h90 h GLN 216 Ca 0.15 -0.24 0.11 0.00 -0.15 0.00 0.00 58.65 58.52 3h90 h GLN 216 Cb 0.52 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.97 3h90 h GLN 216 CO 0.03 0.80 -0.05 0.93 -2.65 0.00 0.00 178.83 177.89 3h90 h GLU 217 N 0.18 0.07 -0.18 1.69 5.08 -1.26 0.23 114.58 120.40 3h90 h GLU 217 Ca 0.04 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3h90 h GLU 217 Cb 0.69 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 3h90 h GLU 217 CO 0.04 0.05 -0.10 0.82 -1.00 0.00 0.00 179.01 178.82 3h90 h ILE 218 N 0.07 0.70 -0.57 3.13 2.04 -1.47 0.18 117.51 121.60 3h90 h ILE 218 Ca 0.27 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.17 3h90 h ILE 218 Cb 0.43 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3h90 h ILE 218 CO -0.50 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.38 3h90 h ILE 219 N -0.08 1.02 0.21 -0.67 2.04 -0.81 -1.60 117.51 117.63 3h90 h ILE 219 Ca 0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3h90 h ILE 219 Cb 0.23 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3h90 h ILE 219 CO -0.23 0.12 -0.10 0.44 0.00 0.00 0.00 178.15 178.37 3h90 h ASP 220 N 0.63 -0.24 -0.95 1.72 3.32 -0.35 -1.38 116.42 119.17 3h90 h ASP 220 Ca 0.24 -0.09 0.21 0.00 0.02 0.00 0.00 57.03 57.42 3h90 h ASP 220 Cb 0.08 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 39.57 3h90 h ASP 220 CO -0.13 -0.06 0.52 0.40 -1.72 0.00 0.00 179.24 178.25 3h90 h ILE 221 N -0.41 0.58 0.01 0.35 2.04 -0.37 -2.26 117.51 117.46 3h90 h ILE 221 Ca -0.03 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3h90 h ILE 221 Cb 0.31 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3h90 h ILE 221 CO 0.05 0.11 -0.00 0.58 0.00 0.00 0.00 178.15 178.88 3h90 h VAL 222 N 0.58 0.87 -0.18 1.67 2.07 -1.13 -3.28 116.25 116.85 3h90 h VAL 222 Ca 0.58 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 3h90 h VAL 222 Cb 1.03 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3h90 h VAL 222 CO -0.45 0.29 -0.16 0.71 0.02 0.00 0.00 177.57 177.98 3h90 h THR 223 N -1.00 1.21 -0.35 2.57 1.35 -1.16 -1.83 112.91 113.71 3h90 h THR 223 Ca -0.00 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 3h90 h THR 223 Cb 0.49 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 3h90 h THR 223 CO 0.00 0.29 0.16 0.77 -0.25 0.00 0.00 175.52 176.49 3h90 h SER 224 N 0.28 0.44 -3.24 5.36 4.64 -1.56 -3.46 113.55 116.00 3h90 h SER 224 Ca 0.05 -0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.79 3h90 h SER 224 Cb 0.46 -0.11 0.09 0.00 -0.31 0.00 0.00 62.40 62.53 3h90 h SER 224 CO 0.03 0.39 0.75 1.87 -0.87 0.00 0.00 176.83 179.00 3h90 n TRP 225 N -4.41 2.64 -0.06 4.77 -0.00 -0.69 -4.95 117.44 114.74 3h90 n TRP 225 Ca 0.02 0.37 -0.03 0.00 -0.00 0.00 0.00 57.50 57.86 3h90 n TRP 225 Cb 0.12 -2.53 -0.02 0.00 -0.00 0.00 0.00 31.31 28.88 3h90 n TRP 225 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3h90 h PRO 226 N 4.06 -0.05 -0.92 5.87 0.11 -1.89 -3.24 132.00 135.94 3h90 h PRO 226 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3h90 h PRO 226 Cb 1.25 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3h90 h PRO 226 CO 0.74 -0.03 0.59 0.78 -0.21 0.00 0.00 178.00 179.87 3h90 h GLY 227 N -0.05 1.38 -2.41 -0.55 0.00 -1.93 -3.44 103.07 96.06 3h90 h GLY 227 Ca 0.02 -0.44 -0.51 0.00 0.00 0.00 0.00 47.33 46.40 3h90 h GLY 227 CO -0.16 0.33 0.48 -1.34 0.00 0.00 0.00 176.54 175.85 3h90 s VAL 228 N -6.07 2.91 -0.10 4.60 -7.23 -1.22 -4.71 120.40 108.58 3h90 s VAL 228 Ca -0.13 0.62 -0.06 0.00 -1.81 0.00 0.00 61.98 60.60 3h90 s VAL 228 Cb 0.19 -3.29 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 3h90 s VAL 228 CO 0.80 -0.07 -0.16 -1.20 -0.31 0.00 0.00 175.10 174.17 3h90 n SER 229 N -1.01 0.96 -4.22 4.85 7.64 -0.68 -4.91 113.62 116.26 3h90 n SER 229 Ca 0.10 0.16 -0.19 0.00 1.01 0.00 0.00 58.87 59.96 3h90 n SER 229 Cb 0.49 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.21 3h90 n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h90 s GLY 230 N -5.07 1.96 -0.08 0.23 0.00 -1.21 -4.99 107.32 98.17 3h90 s GLY 230 Ca -0.16 -1.80 -0.06 0.00 0.00 0.00 0.00 44.72 42.70 3h90 s GLY 230 CO 0.21 -1.64 0.19 0.00 0.00 0.00 0.00 173.10 171.86 3h90 s ALA 231 N -3.60 -0.46 0.07 3.20 0.00 -1.26 0.22 121.76 119.92 3h90 s ALA 231 Ca 0.36 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3h90 s ALA 231 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3h90 s ALA 231 CO 0.15 -0.11 0.00 -2.39 0.00 0.00 0.00 175.76 173.41 3h90 n HIS 232 N 3.25 -0.21 -3.49 0.00 1.44 -0.60 -4.98 115.22 110.62 3h90 n HIS 232 Ca -0.15 0.04 -0.39 0.00 -2.01 0.00 0.00 57.72 55.21 3h90 n HIS 232 Cb 0.57 0.08 -0.10 0.00 0.12 0.00 0.00 29.99 30.67 3h90 n HIS 232 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3h90 s ASP 233 N -5.44 6.13 -0.20 4.39 3.68 -1.26 -4.90 116.67 119.07 3h90 s ASP 233 Ca 0.00 0.10 -0.01 0.00 2.13 0.00 0.00 52.55 54.78 3h90 s ASP 233 Cb 0.00 -2.16 0.05 0.00 -1.45 0.00 0.00 42.92 39.36 3h90 s ASP 233 CO 0.00 -0.13 -0.03 -0.22 0.13 0.00 0.00 175.17 174.92 3h90 s LEU 234 N 1.91 1.92 0.01 -1.34 1.98 -1.26 -2.03 118.68 119.87 3h90 s LEU 234 Ca 0.11 -0.92 0.08 0.00 -2.89 0.00 0.00 54.13 50.51 3h90 s LEU 234 Cb -0.16 -0.95 -0.03 0.00 0.66 0.00 0.00 46.19 45.71 3h90 s LEU 234 CO 0.11 -0.23 -0.24 -0.13 -1.89 0.00 0.00 176.35 173.96 3h90 s ARG 235 N 1.58 2.02 0.04 1.98 3.00 -0.41 -4.99 118.95 122.18 3h90 s ARG 235 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 55.73 54.72 3h90 s ARG 235 Cb -0.17 -2.07 -0.03 0.00 0.00 0.00 0.00 34.95 32.68 3h90 s ARG 235 CO -0.07 0.55 -0.04 0.95 0.00 0.00 0.00 175.30 176.69 3h90 s THR 236 N -0.74 0.22 -0.23 0.02 -4.23 -1.26 -0.77 115.64 108.65 3h90 s THR 236 Ca 0.11 -1.23 -0.36 0.00 -1.18 0.00 0.00 61.69 59.03 3h90 s THR 236 Cb -0.10 -0.72 0.15 0.00 1.34 0.00 0.00 72.50 73.17 3h90 s THR 236 CO 0.01 -0.64 1.28 0.00 -0.54 0.00 0.00 174.62 174.73 3h90 s ARG 237 N -2.27 0.19 0.03 3.99 1.70 -0.96 -3.83 118.95 117.79 3h90 s ARG 237 Ca -0.08 -0.06 0.04 0.00 -0.47 0.00 0.00 55.73 55.17 3h90 s ARG 237 Cb -0.04 0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.40 3h90 s ARG 237 CO -0.03 -0.08 -0.13 1.14 -1.08 0.00 0.00 175.30 175.11 3h90 s GLN 238 N -2.19 0.92 -0.24 3.89 -2.07 -1.26 0.11 119.66 118.82 3h90 s GLN 238 Ca 0.10 -0.67 -0.05 0.00 -1.82 0.00 0.00 55.36 52.92 3h90 s GLN 238 Cb -0.01 -0.90 -0.01 0.00 -1.09 0.00 0.00 33.01 31.00 3h90 s GLN 238 CO -0.04 0.23 0.00 -1.54 -1.32 0.00 0.00 175.29 172.63 3h90 s SER 239 N -0.94 4.64 1.21 12.60 1.04 -0.68 -4.96 113.70 126.60 3h90 s SER 239 Ca 0.02 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3h90 s SER 239 Cb -0.07 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.24 3h90 s SER 239 CO 0.01 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78 3h90 n GLY 240 N 4.84 3.20 0.07 7.32 0.00 -1.26 -2.46 105.19 116.89 3h90 n GLY 240 Ca -0.17 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3h90 n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h90 h PRO 241 N 0.00 -0.01 -6.64 1.61 0.14 -1.94 -3.47 132.00 121.70 3h90 h PRO 241 Ca 0.00 0.00 -0.52 0.00 0.14 0.00 0.00 66.00 65.62 3h90 h PRO 241 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 31.00 31.16 3h90 h PRO 241 CO 0.00 0.86 0.57 0.95 0.14 0.00 0.00 178.00 180.52 3h90 s THR 242 N -2.37 3.60 -0.07 1.56 -4.23 -1.03 -4.94 115.64 108.16 3h90 s THR 242 Ca -0.17 1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.62 3h90 s THR 242 Cb -0.02 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 3h90 s THR 242 CO 0.63 0.19 0.04 -0.13 -0.54 0.00 0.00 174.62 174.81 3h90 s ARG 243 N -0.02 3.07 -0.15 3.99 0.52 -1.26 -1.69 118.95 123.40 3h90 s ARG 243 Ca 0.54 -0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.33 3h90 s ARG 243 Cb -0.33 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 3h90 s ARG 243 CO 0.35 0.70 -0.03 -0.06 0.02 0.00 0.00 175.30 176.28 3h90 s PHE 244 N -0.99 3.03 -0.06 -0.53 0.40 0.31 -0.98 117.98 119.18 3h90 s PHE 244 Ca 0.16 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3h90 s PHE 244 Cb -0.12 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.48 3h90 s PHE 244 CO 0.06 -0.02 -0.06 0.42 0.70 0.00 0.00 175.22 176.32 3h90 s ILE 245 N 0.33 0.69 0.09 0.64 1.01 -0.39 -2.26 121.20 121.31 3h90 s ILE 245 Ca -0.04 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.45 3h90 s ILE 245 Cb -0.14 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3h90 s ILE 245 CO 0.03 0.27 -0.10 0.00 0.00 0.00 0.00 174.94 175.14 3h90 s GLN 246 N 0.98 0.82 0.04 2.79 -2.07 0.05 -1.09 119.66 121.18 3h90 s GLN 246 Ca -0.10 -1.13 -0.25 0.00 -1.82 0.00 0.00 55.36 52.07 3h90 s GLN 246 Cb -0.14 -0.50 0.06 0.00 -1.09 0.00 0.00 33.01 31.34 3h90 s GLN 246 CO 0.00 0.07 0.57 -1.50 -1.32 0.00 0.00 175.29 173.12 3h90 s ILE 247 N -2.41 0.02 -0.21 3.63 2.07 -1.05 -1.28 121.20 121.96 3h90 s ILE 247 Ca 0.04 -0.13 -0.08 0.00 -1.41 0.00 0.00 60.65 59.07 3h90 s ILE 247 Cb -0.03 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 3h90 s ILE 247 CO -0.00 -0.07 0.09 -1.00 -1.91 0.00 0.00 174.94 172.04 3h90 s HIS 248 N -2.38 3.22 -0.11 3.50 3.76 -0.86 -1.21 115.29 121.20 3h90 s HIS 248 Ca -0.06 -0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 54.78 3h90 s HIS 248 Cb -0.01 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 3h90 s HIS 248 CO -0.01 0.00 0.12 -0.51 -0.85 0.00 0.00 174.74 173.50 3h90 s LEU 249 N 0.85 4.29 -0.79 0.89 1.02 0.03 -1.56 118.68 123.41 3h90 s LEU 249 Ca 0.05 0.43 -0.10 0.00 0.02 0.00 0.00 54.13 54.52 3h90 s LEU 249 Cb -0.13 -2.05 0.21 0.00 0.02 0.00 0.00 46.19 44.23 3h90 s LEU 249 CO 0.02 0.40 0.69 -1.61 0.02 0.00 0.00 176.35 175.88 3h90 s GLU 250 N -1.03 3.33 0.73 1.70 2.02 0.13 -0.36 118.70 125.22 3h90 s GLU 250 Ca 0.15 -2.54 -0.07 0.00 0.02 0.00 0.00 54.97 52.52 3h90 s GLU 250 Cb -0.12 -4.22 0.07 0.00 0.10 0.00 0.00 34.13 29.96 3h90 s GLU 250 CO 0.04 -1.25 1.04 -1.64 0.02 0.00 0.00 175.26 173.47 3h90 s MET 251 N -0.01 2.05 0.10 1.61 -1.94 -0.56 -1.69 119.30 118.86 3h90 s MET 251 Ca 0.18 -0.28 -0.31 0.00 -1.71 0.00 0.00 55.69 53.57 3h90 s MET 251 Cb -0.13 -2.14 -0.08 0.00 2.01 0.00 0.00 34.83 34.49 3h90 s MET 251 CO -0.07 -1.35 1.38 -2.00 -0.01 0.00 0.00 175.02 172.97 3h90 s GLU 252 N -5.31 4.32 0.24 2.03 2.12 -1.26 -4.17 118.70 116.68 3h90 s GLU 252 Ca 0.61 2.06 -0.06 0.00 0.36 0.00 0.00 54.97 57.95 3h90 s GLU 252 Cb -0.10 -3.28 0.43 0.00 0.26 0.00 0.00 34.13 31.44 3h90 s GLU 252 CO 0.45 -0.44 1.33 -3.47 -0.54 0.00 0.00 175.26 172.59 3h90 n ASP 253 N 4.08 -0.28 -0.13 -1.70 -0.08 -1.26 -1.50 116.55 115.68 3h90 n ASP 253 Ca 0.12 1.46 0.14 0.00 -1.51 0.00 0.00 54.79 55.00 3h90 n ASP 253 Cb 0.43 -0.46 0.62 0.00 2.34 0.00 0.00 41.12 44.05 3h90 n ASP 253 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3h90 n SER 254 N -5.37 0.49 -4.75 1.67 3.41 -1.26 -4.93 113.62 102.88 3h90 n SER 254 Ca 0.15 -0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 57.71 3h90 n SER 254 Cb 0.46 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3h90 n SER 254 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h90 n LEU 255 N -0.91 4.41 -4.66 1.04 4.77 -0.56 -4.98 117.00 116.11 3h90 n LEU 255 Ca 0.15 1.22 -0.35 0.00 -0.03 0.00 0.00 56.01 57.00 3h90 n LEU 255 Cb 0.27 -1.58 0.10 0.00 -2.33 0.00 0.00 43.42 39.88 3h90 n LEU 255 CO 0.23 -0.02 0.69 -2.65 -1.33 0.00 0.00 177.39 174.31 3h90 n PRO 256 N 0.57 0.49 -0.07 3.23 -0.02 -1.26 -4.84 135.00 133.10 3h90 n PRO 256 Ca 0.03 0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 3h90 n PRO 256 Cb 0.38 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 3h90 n PRO 256 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3h90 h LEU 257 N -0.38 0.39 -1.01 2.45 6.46 -1.99 -0.89 115.31 120.35 3h90 h LEU 257 Ca -0.48 -0.35 0.10 0.00 -0.12 0.00 0.00 57.88 57.03 3h90 h LEU 257 Cb 1.32 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 41.07 3h90 h LEU 257 CO 0.47 0.64 0.64 1.62 -0.62 0.00 0.00 178.44 181.20 3h90 h VAL 258 N 0.12 0.99 0.55 1.05 3.04 -1.99 0.35 116.25 120.37 3h90 h VAL 258 Ca 0.05 -0.37 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 3h90 h VAL 258 Cb 0.47 -0.18 0.01 0.00 -2.01 0.00 0.00 31.29 29.57 3h90 h VAL 258 CO 0.02 0.20 -0.27 1.56 -1.01 0.00 0.00 177.57 178.07 3h90 h GLN 259 N 1.08 -0.72 -0.80 4.17 4.20 -1.91 -2.38 115.11 118.75 3h90 h GLN 259 Ca 0.47 0.05 0.19 0.00 0.06 0.00 0.00 58.65 59.41 3h90 h GLN 259 Cb 0.35 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.18 3h90 h GLN 259 CO -0.23 -0.42 0.24 0.00 -0.67 0.00 0.00 178.83 177.76 3h90 h ALA 260 N -0.88 1.12 -0.38 3.87 0.00 -0.39 0.23 119.26 122.84 3h90 h ALA 260 Ca -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h90 h ALA 260 Cb 0.63 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3h90 h ALA 260 CO 0.13 -0.35 0.18 1.25 0.00 0.00 0.00 179.25 180.46 3h90 h HIS 261 N 0.30 0.51 0.87 0.00 -0.00 -0.31 -1.22 115.15 115.29 3h90 h HIS 261 Ca 0.47 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.79 3h90 h HIS 261 Cb 0.85 -0.16 0.01 0.00 -0.00 0.00 0.00 27.41 28.10 3h90 h HIS 261 CO -0.23 0.38 -0.42 1.98 -0.00 0.00 0.00 177.93 179.63 3h90 h MET 262 N 0.52 -1.13 -0.75 5.26 -1.53 0.01 0.76 114.93 118.07 3h90 h MET 262 Ca 0.13 0.08 0.17 0.00 -3.44 0.00 0.00 59.70 56.64 3h90 h MET 262 Cb 0.05 0.26 -0.12 0.00 -0.55 0.00 0.00 31.60 31.24 3h90 h MET 262 CO -0.02 -0.75 0.10 -0.24 0.14 0.00 0.00 176.91 176.13 3h90 h VAL 263 N -1.18 0.42 -0.53 -5.77 3.04 -1.34 0.40 116.25 111.29 3h90 h VAL 263 Ca -0.12 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.47 3h90 h VAL 263 Cb 0.90 0.23 -0.03 0.00 -2.01 0.00 0.00 31.29 30.38 3h90 h VAL 263 CO 0.20 0.03 0.16 0.00 -1.01 0.00 0.00 177.57 176.95 3h90 h ALA 264 N 1.66 1.29 -0.46 3.17 0.00 -0.95 -1.74 119.26 122.23 3h90 h ALA 264 Ca 0.42 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3h90 h ALA 264 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3h90 h ALA 264 CO -0.59 0.51 -0.20 0.22 0.00 0.00 0.00 179.25 179.19 3h90 h ASP 265 N 0.77 0.95 -0.03 0.00 1.82 0.24 -1.01 116.42 119.16 3h90 h ASP 265 Ca 0.18 -0.35 -0.00 0.00 -0.39 0.00 0.00 57.03 56.47 3h90 h ASP 265 Cb 0.23 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 3h90 h ASP 265 CO -0.01 1.12 0.00 1.56 -1.61 0.00 0.00 179.24 180.30 3h90 h GLN 266 N 0.81 0.05 -0.83 0.28 4.20 -0.74 1.00 115.11 119.88 3h90 h GLN 266 Ca 0.11 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.89 3h90 h GLN 266 Cb 0.76 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.46 3h90 h GLN 266 CO 0.06 0.30 0.49 0.28 -0.67 0.00 0.00 178.83 179.29 3h90 h VAL 267 N -0.21 0.96 -0.07 -0.54 2.07 -1.22 0.44 116.25 117.68 3h90 h VAL 267 Ca 0.01 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3h90 h VAL 267 Cb 0.28 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3h90 h VAL 267 CO 0.00 0.16 0.01 -0.08 0.02 0.00 0.00 177.57 177.68 3h90 h GLU 268 N 0.85 0.04 -0.27 1.57 4.81 -0.99 -2.14 114.58 118.45 3h90 h GLU 268 Ca 0.39 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.58 3h90 h GLU 268 Cb 0.29 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3h90 h GLU 268 CO -0.22 0.03 0.02 0.37 -0.73 0.00 0.00 179.01 178.48 3h90 h GLN 269 N 0.04 0.41 0.91 1.92 5.75 0.15 -1.27 115.11 123.02 3h90 h GLN 269 Ca 0.03 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3h90 h GLN 269 Cb 0.03 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.52 3h90 h GLN 269 CO -0.05 0.42 -0.44 0.00 -2.65 0.00 0.00 178.83 176.12 3h90 h ALA 270 N 1.63 -1.23 -0.89 3.38 0.00 -0.02 -2.61 119.26 119.53 3h90 h ALA 270 Ca 0.09 -0.27 0.24 0.00 0.00 0.00 0.00 54.91 54.97 3h90 h ALA 270 Cb 0.24 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3h90 h ALA 270 CO 0.00 -1.14 0.62 0.82 0.00 0.00 0.00 179.25 179.56 3h90 h ILE 271 N -1.32 0.59 0.00 0.00 5.03 -0.74 0.52 117.51 121.59 3h90 h ILE 271 Ca -0.12 -0.04 -0.13 0.00 -0.12 0.00 0.00 64.86 64.44 3h90 h ILE 271 Cb 0.93 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 35.16 3h90 h ILE 271 CO 0.20 0.02 -0.63 0.25 -0.68 0.00 0.00 178.15 177.31 3h90 h LEU 272 N 0.13 0.00 -0.08 1.44 5.85 -1.12 -1.74 115.31 119.79 3h90 h LEU 272 Ca 0.44 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.99 3h90 h LEU 272 Cb 1.52 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.56 3h90 h LEU 272 CO -0.07 0.63 -0.62 0.03 -0.34 0.00 0.00 178.44 178.07 3h90 h ARG 273 N 0.00 0.56 -0.39 1.25 2.47 -0.52 -3.20 114.38 114.54 3h90 h ARG 273 Ca -0.01 -0.50 -0.10 0.00 -1.26 0.00 0.00 59.98 58.11 3h90 h ARG 273 Cb 1.27 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.70 3h90 h ARG 273 CO 0.08 1.12 -0.15 0.00 0.56 0.00 0.00 179.97 181.58 3h90 h ARG 274 N 0.16 0.80 -3.31 0.04 2.47 -1.23 -3.31 114.38 109.99 3h90 h ARG 274 Ca -0.06 -0.33 -0.66 0.00 -1.26 0.00 0.00 59.98 57.67 3h90 h ARG 274 Cb 1.28 -0.03 -0.39 0.00 -1.65 0.00 0.00 29.97 29.18 3h90 h ARG 274 CO 0.13 0.96 -0.44 -0.06 0.56 0.00 0.00 179.97 181.11 3h90 s PHE 275 N -4.69 3.50 0.76 3.04 0.08 -0.67 -5.09 117.98 114.91 3h90 s PHE 275 Ca -0.12 -3.10 -0.14 0.00 0.12 0.00 0.00 56.93 53.68 3h90 s PHE 275 Cb 0.10 -2.95 0.06 0.00 -0.57 0.00 0.00 43.02 39.65 3h90 s PHE 275 CO 0.83 -0.70 1.20 -1.25 -0.10 0.00 0.00 175.22 175.20 3h90 s PRO 276 N -0.83 1.94 0.00 0.24 0.04 -1.21 -2.37 135.00 132.81 3h90 s PRO 276 Ca 0.22 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3h90 s PRO 276 Cb -0.14 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3h90 s PRO 276 CO -0.08 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.38 3h90 n GLY 277 N 0.39 2.84 3.57 0.56 0.00 -1.26 -4.92 105.19 106.37 3h90 n GLY 277 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3h90 n GLY 277 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h90 n SER 278 N 0.43 -0.65 -3.78 1.61 7.64 -1.00 -4.54 113.62 113.33 3h90 n SER 278 Ca 0.00 0.20 -0.28 0.00 1.01 0.00 0.00 58.87 59.80 3h90 n SER 278 Cb 0.00 -1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 61.67 3h90 n SER 278 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3h90 s ASP 279 N -2.48 3.15 0.21 6.43 2.15 -0.15 -4.91 116.67 121.07 3h90 s ASP 279 Ca 0.66 -0.92 0.08 0.00 0.43 0.00 0.00 52.55 52.80 3h90 s ASP 279 Cb -0.23 -0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 41.61 3h90 s ASP 279 CO 0.61 -0.29 -0.02 0.68 -0.17 0.00 0.00 175.17 175.98 3h90 s VAL 280 N 1.75 3.53 -0.10 1.11 -7.23 -1.26 -1.26 120.40 116.94 3h90 s VAL 280 Ca -0.02 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 3h90 s VAL 280 Cb -0.17 -2.81 0.05 0.00 0.56 0.00 0.00 36.38 34.00 3h90 s VAL 280 CO -0.08 -0.21 0.20 -0.51 -0.31 0.00 0.00 175.10 174.19 3h90 s ILE 281 N -1.94 -0.24 -0.27 -0.62 2.07 -0.25 -4.96 121.20 114.99 3h90 s ILE 281 Ca 0.28 0.28 -0.05 0.00 -1.41 0.00 0.00 60.65 59.75 3h90 s ILE 281 Cb -0.08 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.18 3h90 s ILE 281 CO 0.18 0.12 0.03 -0.63 -1.91 0.00 0.00 174.94 172.74 3h90 s ILE 282 N 2.03 3.70 -0.13 2.00 -1.09 -1.26 -2.53 121.20 123.93 3h90 s ILE 282 Ca -0.01 -0.66 -0.26 0.00 -2.23 0.00 0.00 60.65 57.49 3h90 s ILE 282 Cb -0.12 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.89 3h90 s ILE 282 CO -0.07 0.19 0.85 -2.28 -1.23 0.00 0.00 174.94 172.40 3h90 s HIS 283 N 1.48 3.48 -0.23 3.97 5.65 -0.35 -4.97 115.29 124.32 3h90 s HIS 283 Ca 0.03 1.35 -0.10 0.00 0.25 0.00 0.00 55.06 56.59 3h90 s HIS 283 Cb -0.16 -3.02 -0.05 0.00 -1.18 0.00 0.00 32.58 28.17 3h90 s HIS 283 CO 0.00 -0.16 0.13 1.14 -0.65 0.00 0.00 174.74 175.20 3h90 s GLN 284 N 1.80 4.01 0.14 2.88 0.00 -1.26 -0.79 119.66 126.44 3h90 s GLN 284 Ca 0.41 -0.30 0.05 0.00 -0.00 0.00 0.00 55.36 55.52 3h90 s GLN 284 Cb -0.17 -3.45 -0.04 0.00 0.00 0.00 0.00 33.01 29.35 3h90 s GLN 284 CO 0.16 0.09 0.06 -0.51 0.00 0.00 0.00 175.29 175.08 3h90 s ASP 285 N 0.95 5.19 0.00 12.60 1.01 0.51 -4.94 116.67 132.00 3h90 s ASP 285 Ca 0.06 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.11 3h90 s ASP 285 Cb -0.13 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 42.53 3h90 s ASP 285 CO 0.03 0.11 0.00 -2.65 0.21 0.00 0.00 175.17 172.87 3h90 n PRO 286 N -0.01 0.00 -3.51 8.23 -0.02 -1.26 -1.49 135.00 136.94 3h90 n PRO 286 Ca -0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 3h90 n PRO 286 Cb 0.54 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.88 3h90 n PRO 286 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h90 n SER 288 N 4.77 -1.39 -3.67 0.00 3.41 -1.26 -5.02 113.62 110.46 3h90 n SER 288 Ca 0.01 -3.41 -0.14 0.00 -0.26 0.00 0.00 58.87 55.07 3h90 n SER 288 Cb 0.40 1.07 -0.08 0.00 -0.26 0.00 0.00 64.21 65.34 3h90 n SER 288 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3h90 s VAL 289 N -0.51 0.00 -2.76 -3.33 -7.23 -1.26 -5.18 120.40 100.14 3h90 s VAL 289 Ca 0.29 -0.01 0.26 0.00 -1.81 0.00 0.00 61.98 60.71 3h90 s VAL 289 Cb 0.29 -0.82 0.36 0.00 0.56 0.00 0.00 36.38 36.78 3h90 s VAL 289 CO -0.09 -0.00 1.50 0.55 -0.31 0.00 0.00 175.10 176.75